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 2eu1_1_E 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 RQIVLNCGEK 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 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 0.570 123.389 122.820 -0.001 0.000 2.561 3 A HA 0.495 4.815 4.320 -0.000 0.000 0.234 3 A C 0.107 177.689 177.584 -0.002 0.000 1.055 3 A CA 0.609 52.648 52.037 0.004 0.000 0.756 3 A CB -0.241 18.763 19.000 0.006 0.000 0.986 3 A HN 0.525 nan 8.150 nan 0.000 0.505 4 K N 0.960 121.363 120.400 0.005 0.000 2.352 4 K HA 0.516 4.836 4.320 -0.000 0.000 0.240 4 K C -1.343 175.270 176.600 0.021 0.000 1.017 4 K CA -0.743 55.542 56.287 -0.002 0.000 0.851 4 K CB 1.655 34.154 32.500 -0.002 0.000 1.261 4 K HN 0.732 nan 8.250 nan 0.000 0.451 5 D N 0.562 120.977 120.400 0.024 0.000 2.362 5 D HA 0.439 5.079 4.640 -0.000 0.000 0.247 5 D C -1.420 174.990 176.300 0.182 0.000 1.050 5 D CA -0.572 53.494 54.000 0.110 0.000 0.839 5 D CB 1.540 42.420 40.800 0.133 0.000 1.283 5 D HN 0.091 nan 8.370 nan 0.000 0.477 6 V N 4.035 124.035 119.914 0.143 0.000 2.531 6 V HA 0.454 4.574 4.120 -0.000 0.000 0.301 6 V C 0.095 176.100 176.094 -0.148 0.000 1.034 6 V CA -0.856 61.436 62.300 -0.014 0.000 0.865 6 V CB 1.811 33.572 31.823 -0.104 0.000 0.995 6 V HN 0.389 nan 8.190 nan 0.000 0.424 7 K N 3.253 123.441 120.400 -0.354 0.000 2.208 7 K HA 0.767 5.087 4.320 -0.000 0.000 0.247 7 K C -1.590 174.680 176.600 -0.551 0.000 0.953 7 K CA -0.585 55.443 56.287 -0.431 0.000 0.837 7 K CB 2.436 34.488 32.500 -0.747 0.000 1.131 7 K HN 0.445 nan 8.250 nan 0.000 0.431 8 F N -0.375 119.510 119.950 -0.109 0.000 2.577 8 F HA 0.328 4.855 4.527 -0.000 0.000 0.318 8 F C 1.194 176.955 175.800 -0.065 0.000 1.065 8 F CA 0.075 58.037 58.000 -0.064 0.000 0.929 8 F CB 1.733 40.710 39.000 -0.039 0.000 1.237 8 F HN 0.846 nan 8.300 nan 0.000 0.468 9 G N 2.353 111.267 108.800 0.189 0.000 2.684 9 G HA2 -0.461 3.499 3.960 -0.000 0.000 0.342 9 G HA3 -0.461 3.499 3.960 -0.000 0.000 0.342 9 G C 1.400 176.318 174.900 0.029 0.000 1.316 9 G CA 0.990 46.144 45.100 0.089 0.000 0.994 9 G HN 0.765 nan 8.290 nan 0.000 0.541 10 N N 0.398 119.110 118.700 0.020 0.000 2.037 10 N HA -0.224 4.516 4.740 -0.000 0.000 0.196 10 N C 1.878 177.373 175.510 -0.025 0.000 1.034 10 N CA 2.413 55.462 53.050 -0.002 0.000 0.861 10 N CB -0.405 38.082 38.487 -0.000 0.000 1.039 10 N HN 0.594 nan 8.380 nan 0.000 0.427 11 D N 0.411 120.794 120.400 -0.029 0.000 2.127 11 D HA -0.143 4.497 4.640 -0.000 0.000 0.190 11 D C 1.722 177.940 176.300 -0.137 0.000 1.000 11 D CA 1.875 55.832 54.000 -0.071 0.000 0.839 11 D CB -0.528 40.234 40.800 -0.064 0.000 0.955 11 D HN 0.370 nan 8.370 nan 0.000 0.446 12 A N 0.177 122.898 122.820 -0.165 0.000 2.024 12 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 12 A C 2.335 179.843 177.584 -0.127 0.000 1.164 12 A CA 1.357 53.251 52.037 -0.238 0.000 0.643 12 A CB -0.390 18.477 19.000 -0.222 0.000 0.806 12 A HN 0.228 nan 8.150 nan 0.000 0.451 13 R N -0.586 119.872 120.500 -0.069 0.000 2.055 13 R HA -0.071 4.269 4.340 -0.000 0.000 0.226 13 R C 2.277 178.561 176.300 -0.027 0.000 1.135 13 R CA 1.477 57.558 56.100 -0.033 0.000 0.959 13 R CB -0.685 29.606 30.300 -0.015 0.000 0.854 13 R HN 0.555 nan 8.270 nan 0.000 0.431 14 V N 0.333 120.228 119.914 -0.032 0.000 2.380 14 V HA -0.264 3.856 4.120 -0.000 0.000 0.251 14 V C 1.982 178.067 176.094 -0.016 0.000 1.063 14 V CA 1.621 63.908 62.300 -0.021 0.000 1.055 14 V CB -0.498 31.312 31.823 -0.023 0.000 0.657 14 V HN 0.122 nan 8.190 nan 0.000 0.455 15 K N -0.005 120.374 120.400 -0.036 0.000 2.032 15 K HA -0.072 4.248 4.320 -0.000 0.000 0.209 15 K C 2.248 178.869 176.600 0.035 0.000 1.048 15 K CA 2.309 58.594 56.287 -0.003 0.000 0.927 15 K CB -0.585 31.890 32.500 -0.043 0.000 0.712 15 K HN 0.578 nan 8.250 nan 0.000 0.441 16 M N 0.229 119.846 119.600 0.028 0.000 2.065 16 M HA -0.211 4.269 4.480 -0.000 0.000 0.259 16 M C 2.293 178.609 176.300 0.026 0.000 1.069 16 M CA 1.285 56.608 55.300 0.039 0.000 1.110 16 M CB -0.513 32.105 32.600 0.030 0.000 1.328 16 M HN 0.057 nan 8.290 nan 0.000 0.405 17 L N 0.774 122.006 121.223 0.015 0.000 1.990 17 L HA -0.246 4.094 4.340 -0.000 0.000 0.213 17 L C 2.494 179.372 176.870 0.013 0.000 1.072 17 L CA 2.123 56.970 54.840 0.012 0.000 0.755 17 L CB -0.782 41.281 42.059 0.006 0.000 0.889 17 L HN 0.197 nan 8.230 nan 0.000 0.432 18 R N -0.397 120.111 120.500 0.013 0.000 2.119 18 R HA -0.159 4.181 4.340 -0.000 0.000 0.246 18 R C 2.108 178.419 176.300 0.019 0.000 1.146 18 R CA 1.935 58.043 56.100 0.015 0.000 0.962 18 R CB -1.133 29.177 30.300 0.016 0.000 0.863 18 R HN 0.576 nan 8.270 nan 0.000 0.442 19 G N -0.446 108.370 108.800 0.026 0.000 2.424 19 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.214 19 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.214 19 G C 1.416 176.326 174.900 0.017 0.000 1.202 19 G CA 0.624 45.739 45.100 0.025 0.000 0.793 19 G HN 0.295 nan 8.290 nan 0.000 0.534 20 V N 1.344 121.268 119.914 0.017 0.000 2.453 20 V HA -0.211 3.909 4.120 -0.000 0.000 0.252 20 V C 2.399 178.499 176.094 0.009 0.000 1.068 20 V CA 2.579 64.886 62.300 0.012 0.000 1.070 20 V CB -0.558 31.273 31.823 0.013 0.000 0.664 20 V HN 0.295 nan 8.190 nan 0.000 0.461 21 N N 0.291 118.997 118.700 0.009 0.000 2.104 21 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 21 N C 1.784 177.297 175.510 0.005 0.000 1.024 21 N CA 1.908 54.962 53.050 0.007 0.000 0.853 21 N CB -0.550 37.941 38.487 0.007 0.000 1.008 21 N HN 0.497 nan 8.380 nan 0.000 0.424 22 V N 1.599 121.517 119.914 0.006 0.000 2.332 22 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 22 V C 2.407 178.502 176.094 0.001 0.000 1.055 22 V CA 1.181 63.483 62.300 0.003 0.000 1.038 22 V CB -0.648 31.178 31.823 0.004 0.000 0.651 22 V HN 0.202 nan 8.190 nan 0.000 0.450 23 L N 1.149 122.373 121.223 0.001 0.000 1.976 23 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 23 L C 2.510 179.379 176.870 -0.001 0.000 1.071 23 L CA 2.492 57.331 54.840 -0.001 0.000 0.746 23 L CB -1.269 40.789 42.059 -0.001 0.000 0.890 23 L HN 0.200 nan 8.230 nan 0.000 0.432 24 A N -0.563 122.258 122.820 0.001 0.000 1.892 24 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 24 A C 2.001 179.585 177.584 0.001 0.000 1.188 24 A CA 2.102 54.140 52.037 0.001 0.000 0.631 24 A CB -1.054 17.948 19.000 0.004 0.000 0.822 24 A HN 0.631 nan 8.150 nan 0.000 0.447 25 D N -0.047 120.354 120.400 0.001 0.000 2.178 25 D HA -0.026 4.614 4.640 -0.000 0.000 0.202 25 D C 2.119 178.418 176.300 -0.001 0.000 0.974 25 D CA 1.404 55.404 54.000 0.000 0.000 0.841 25 D CB -0.372 40.429 40.800 0.001 0.000 0.953 25 D HN 0.472 nan 8.370 nan 0.000 0.478 26 A N 0.542 123.360 122.820 -0.003 0.000 1.968 26 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 26 A C 2.342 179.923 177.584 -0.006 0.000 1.169 26 A CA 0.711 52.745 52.037 -0.005 0.000 0.638 26 A CB -0.393 18.604 19.000 -0.006 0.000 0.812 26 A HN 0.176 nan 8.150 nan 0.000 0.446 27 V N 0.834 120.745 119.914 -0.006 0.000 2.599 27 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 27 V C 2.329 178.420 176.094 -0.006 0.000 1.046 27 V CA 1.973 64.269 62.300 -0.007 0.000 1.065 27 V CB -0.344 31.474 31.823 -0.008 0.000 0.703 27 V HN 0.795 nan 8.190 nan 0.000 0.464 28 K N 0.523 120.921 120.400 -0.003 0.000 2.504 28 K HA -0.007 4.313 4.320 -0.000 0.000 0.195 28 K C 1.101 177.700 176.600 -0.002 0.000 1.036 28 K CA 1.413 57.699 56.287 -0.002 0.000 0.984 28 K CB -0.395 32.105 32.500 0.001 0.000 0.788 28 K HN 0.472 nan 8.250 nan 0.000 0.488 29 V N 0.964 120.876 119.914 -0.003 0.000 3.611 29 V HA -0.012 4.108 4.120 -0.000 0.000 0.281 29 V C 1.096 177.187 176.094 -0.004 0.000 1.247 29 V CA 0.935 63.233 62.300 -0.002 0.000 1.198 29 V CB -1.252 30.569 31.823 -0.003 0.000 0.977 29 V HN 0.520 nan 8.190 nan 0.000 0.445 30 T N -3.634 110.917 114.554 -0.005 0.000 3.091 30 T HA 0.384 4.734 4.350 -0.000 0.000 0.277 30 T C 0.138 174.833 174.700 -0.007 0.000 0.996 30 T CA -0.354 61.742 62.100 -0.007 0.000 0.897 30 T CB 0.145 69.007 68.868 -0.009 0.000 1.109 30 T HN 0.162 nan 8.240 nan 0.000 0.534 31 L N 3.218 124.438 121.223 -0.005 0.000 2.433 31 L HA 0.556 4.896 4.340 -0.000 0.000 0.275 31 L C 0.964 177.830 176.870 -0.006 0.000 1.128 31 L CA 1.165 56.003 54.840 -0.004 0.000 0.875 31 L CB -0.773 41.285 42.059 -0.000 0.000 1.171 31 L HN 0.695 nan 8.230 nan 0.000 0.463 32 G N 5.251 114.044 108.800 -0.011 0.000 2.999 32 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.686 32 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.686 32 G C -1.420 173.468 174.900 -0.021 0.000 1.057 32 G CA -0.506 44.583 45.100 -0.018 0.000 0.784 32 G HN 0.546 nan 8.290 nan 0.000 0.575 33 P HA -0.233 nan 4.420 nan 0.000 0.223 33 P C 1.029 178.315 177.300 -0.024 0.000 1.153 33 P CA 1.570 64.653 63.100 -0.030 0.000 0.853 33 P CB 0.061 31.735 31.700 -0.043 0.000 0.777 34 K N -0.037 120.350 120.400 -0.021 0.000 2.577 34 K HA 0.263 4.583 4.320 -0.000 0.000 0.210 34 K C 1.136 177.731 176.600 -0.008 0.000 1.048 34 K CA -0.145 56.134 56.287 -0.014 0.000 1.188 34 K CB -0.156 32.338 32.500 -0.010 0.000 0.910 34 K HN 0.116 nan 8.250 nan 0.000 0.483 35 G N 1.175 109.969 108.800 -0.010 0.000 2.527 35 G HA2 0.215 4.175 3.960 -0.000 0.000 0.248 35 G HA3 0.215 4.175 3.960 -0.000 0.000 0.248 35 G C 0.157 175.053 174.900 -0.007 0.000 1.231 35 G CA -0.474 44.622 45.100 -0.007 0.000 0.838 35 G HN 0.060 nan 8.290 nan 0.000 0.570 36 R N 0.305 120.801 120.500 -0.005 0.000 2.606 36 R HA 0.294 4.634 4.340 -0.000 0.000 0.249 36 R C -0.138 176.158 176.300 -0.006 0.000 1.127 36 R CA -0.895 55.202 56.100 -0.005 0.000 1.133 36 R CB 0.089 30.387 30.300 -0.004 0.000 1.243 36 R HN 0.618 nan 8.270 nan 0.000 0.558 37 N N -1.051 117.646 118.700 -0.006 0.000 2.489 37 N HA 0.423 5.163 4.740 -0.000 0.000 0.284 37 N C -1.058 174.448 175.510 -0.007 0.000 1.158 37 N CA -0.592 52.454 53.050 -0.007 0.000 0.965 37 N CB 1.421 39.904 38.487 -0.007 0.000 1.195 37 N HN 0.099 nan 8.380 nan 0.000 0.506 38 V N 1.246 121.155 119.914 -0.008 0.000 2.483 38 V HA 0.310 4.430 4.120 -0.000 0.000 0.297 38 V C -0.515 175.573 176.094 -0.009 0.000 1.027 38 V CA -0.899 61.396 62.300 -0.009 0.000 0.855 38 V CB 1.640 33.458 31.823 -0.009 0.000 0.995 38 V HN 0.358 nan 8.190 nan 0.000 0.424 39 V N 6.306 126.215 119.914 -0.010 0.000 2.368 39 V HA 0.351 4.471 4.120 -0.000 0.000 0.266 39 V C 0.034 176.121 176.094 -0.013 0.000 1.045 39 V CA -0.294 61.999 62.300 -0.011 0.000 0.899 39 V CB 0.901 32.717 31.823 -0.012 0.000 1.006 39 V HN 0.646 nan 8.190 nan 0.000 0.470 40 L N 4.188 125.404 121.223 -0.012 0.000 2.259 40 L HA 0.396 4.736 4.340 -0.000 0.000 0.288 40 L C 0.290 177.151 176.870 -0.015 0.000 1.051 40 L CA -0.385 54.447 54.840 -0.013 0.000 0.824 40 L CB 0.812 42.864 42.059 -0.012 0.000 1.206 40 L HN 0.586 nan 8.230 nan 0.000 0.429 41 D N 3.632 124.021 120.400 -0.020 0.000 2.414 41 D HA 0.066 4.706 4.640 -0.000 0.000 0.242 41 D C -0.239 176.048 176.300 -0.022 0.000 1.129 41 D CA 0.262 54.246 54.000 -0.026 0.000 0.885 41 D CB 0.844 41.622 40.800 -0.036 0.000 1.198 41 D HN 0.350 nan 8.370 nan 0.000 0.437 42 K N 2.398 122.786 120.400 -0.020 0.000 2.413 42 K HA 0.250 4.570 4.320 -0.000 0.000 0.257 42 K C 1.113 177.710 176.600 -0.005 0.000 0.946 42 K CA -0.341 55.943 56.287 -0.005 0.000 0.823 42 K CB 1.012 33.517 32.500 0.008 0.000 1.109 42 K HN 0.650 nan 8.250 nan 0.000 0.427 43 S N 3.829 119.532 115.700 0.005 0.000 2.206 43 S HA -0.310 4.160 4.470 -0.000 0.000 0.454 43 S C 0.441 175.034 174.600 -0.011 0.000 1.033 43 S CA 1.291 59.504 58.200 0.021 0.000 2.646 43 S CB -0.845 62.412 63.200 0.095 0.000 1.946 43 S HN 0.529 nan 8.310 nan 0.000 0.522 44 F N 2.446 122.393 119.950 -0.005 0.000 2.493 44 F HA 0.677 5.204 4.527 -0.000 0.000 0.329 44 F C 0.898 176.695 175.800 -0.005 0.000 1.126 44 F CA 0.664 58.661 58.000 -0.005 0.000 0.937 44 F CB 1.759 40.757 39.000 -0.005 0.000 1.146 44 F HN 0.956 nan 8.300 nan 0.000 0.442 45 G N 1.776 110.692 108.800 0.192 0.000 2.280 45 G HA2 0.419 4.379 3.960 -0.000 0.000 0.277 45 G HA3 0.419 4.379 3.960 -0.000 0.000 0.277 45 G C -1.817 173.111 174.900 0.047 0.000 1.288 45 G CA -0.438 44.734 45.100 0.120 0.000 1.075 45 G HN 0.974 nan 8.290 nan 0.000 0.480 46 A N 0.595 123.435 122.820 0.033 0.000 2.306 46 A HA 0.868 5.188 4.320 -0.000 0.000 0.314 46 A C -1.615 175.972 177.584 0.005 0.000 1.164 46 A CA -0.826 51.218 52.037 0.012 0.000 0.822 46 A CB 0.203 19.212 19.000 0.013 0.000 1.130 46 A HN 0.608 nan 8.150 nan 0.000 0.496 47 P HA 0.173 nan 4.420 nan 0.000 0.272 47 P C -0.259 177.038 177.300 -0.004 0.000 1.243 47 P CA 0.288 63.382 63.100 -0.009 0.000 0.803 47 P CB 0.354 32.046 31.700 -0.014 0.000 0.974 48 T N 1.102 115.652 114.554 -0.006 0.000 2.792 48 T HA 0.525 4.875 4.350 -0.000 0.000 0.280 48 T C -0.035 174.661 174.700 -0.006 0.000 0.990 48 T CA -0.323 61.774 62.100 -0.004 0.000 0.960 48 T CB 0.202 69.068 68.868 -0.004 0.000 0.939 48 T HN 0.154 nan 8.240 nan 0.000 0.439 49 I N 2.927 123.494 120.570 -0.006 0.000 2.330 49 I HA 0.474 4.644 4.170 -0.000 0.000 0.289 49 I C 0.440 176.553 176.117 -0.007 0.000 1.001 49 I CA -0.373 60.923 61.300 -0.007 0.000 1.193 49 I CB 1.568 39.565 38.000 -0.006 0.000 1.345 49 I HN 0.492 nan 8.210 nan 0.000 0.461 50 T N 4.671 119.220 114.554 -0.008 0.000 2.883 50 T HA 0.413 4.763 4.350 -0.000 0.000 0.296 50 T C 0.132 174.826 174.700 -0.009 0.000 1.117 50 T CA -0.522 61.573 62.100 -0.008 0.000 1.006 50 T CB 1.821 70.684 68.868 -0.009 0.000 1.191 50 T HN 0.629 nan 8.240 nan 0.000 0.508 51 K N 0.868 121.262 120.400 -0.010 0.000 2.447 51 K HA 0.193 4.513 4.320 -0.000 0.000 0.205 51 K C -0.686 175.907 176.600 -0.012 0.000 1.059 51 K CA -0.211 56.070 56.287 -0.010 0.000 1.065 51 K CB 0.580 33.074 32.500 -0.010 0.000 0.885 51 K HN 0.427 nan 8.250 nan 0.000 0.545 52 D N 0.492 120.885 120.400 -0.012 0.000 2.352 52 D HA 0.074 4.714 4.640 -0.000 0.000 0.245 52 D C 1.264 177.555 176.300 -0.016 0.000 1.224 52 D CA 0.026 54.017 54.000 -0.015 0.000 0.879 52 D CB 1.090 41.881 40.800 -0.015 0.000 1.057 52 D HN 0.221 nan 8.370 nan 0.000 0.491 53 G N 2.564 111.354 108.800 -0.016 0.000 2.475 53 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 53 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 53 G C 1.512 176.400 174.900 -0.020 0.000 1.125 53 G CA 1.069 46.160 45.100 -0.016 0.000 0.755 53 G HN 0.494 nan 8.290 nan 0.000 0.565 54 V N 0.999 120.898 119.914 -0.024 0.000 2.287 54 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 54 V C 2.974 179.052 176.094 -0.026 0.000 1.053 54 V CA 2.310 64.593 62.300 -0.028 0.000 1.027 54 V CB -1.033 30.770 31.823 -0.033 0.000 0.646 54 V HN 0.343 nan 8.190 nan 0.000 0.447 55 S N -0.017 115.670 115.700 -0.022 0.000 2.383 55 S HA -0.123 4.347 4.470 -0.000 0.000 0.227 55 S C 2.051 176.639 174.600 -0.018 0.000 1.026 55 S CA 1.371 59.559 58.200 -0.020 0.000 0.981 55 S CB -0.258 62.932 63.200 -0.017 0.000 0.818 55 S HN 0.370 nan 8.310 nan 0.000 0.472 56 V N 1.960 121.863 119.914 -0.017 0.000 2.343 56 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 56 V C 2.626 178.711 176.094 -0.016 0.000 1.051 56 V CA 1.724 64.015 62.300 -0.015 0.000 1.036 56 V CB -1.070 30.745 31.823 -0.013 0.000 0.654 56 V HN 0.546 nan 8.190 nan 0.000 0.451 57 A N -0.379 122.430 122.820 -0.018 0.000 1.930 57 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 57 A C 2.393 179.964 177.584 -0.022 0.000 1.175 57 A CA 1.792 53.817 52.037 -0.020 0.000 0.627 57 A CB -0.592 18.394 19.000 -0.023 0.000 0.815 57 A HN 0.458 nan 8.150 nan 0.000 0.443 58 R N -0.351 120.135 120.500 -0.024 0.000 2.117 58 R HA -0.181 4.159 4.340 -0.000 0.000 0.243 58 R C 1.730 178.016 176.300 -0.024 0.000 1.143 58 R CA 1.803 57.887 56.100 -0.027 0.000 0.968 58 R CB -0.146 30.137 30.300 -0.028 0.000 0.863 58 R HN 0.528 nan 8.270 nan 0.000 0.444 59 E N 0.325 120.513 120.200 -0.020 0.000 2.112 59 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 59 E C 0.748 177.338 176.600 -0.016 0.000 0.979 59 E CA 0.120 56.510 56.400 -0.017 0.000 0.814 59 E CB -0.031 29.660 29.700 -0.015 0.000 0.762 59 E HN 0.229 nan 8.360 nan 0.000 0.460 60 I N 2.268 122.829 120.570 -0.015 0.000 2.821 60 I HA -0.091 4.079 4.170 -0.000 0.000 0.294 60 I C 0.544 176.653 176.117 -0.013 0.000 1.210 60 I CA 0.988 62.280 61.300 -0.013 0.000 1.430 60 I CB -0.325 37.669 38.000 -0.011 0.000 1.356 60 I HN 0.106 nan 8.210 nan 0.000 0.563 61 E N 7.069 127.262 120.200 -0.012 0.000 2.651 61 E HA 0.255 4.605 4.350 -0.000 0.000 0.360 61 E C -1.387 175.207 176.600 -0.011 0.000 0.932 61 E CA -0.461 55.931 56.400 -0.013 0.000 0.761 61 E CB 0.870 30.560 29.700 -0.016 0.000 1.462 61 E HN 0.436 nan 8.360 nan 0.000 0.392 62 L N 2.573 123.791 121.223 -0.008 0.000 2.476 62 L HA 0.257 4.597 4.340 -0.000 0.000 0.255 62 L C 1.751 178.615 176.870 -0.010 0.000 1.218 62 L CA -0.027 54.810 54.840 -0.005 0.000 0.819 62 L CB 0.437 42.498 42.059 0.004 0.000 1.119 62 L HN 0.685 nan 8.230 nan 0.000 0.485 63 E N 0.191 120.388 120.200 -0.006 0.000 2.086 63 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 63 E C 0.502 177.094 176.600 -0.013 0.000 0.975 63 E CA 0.121 56.514 56.400 -0.011 0.000 0.813 63 E CB 0.265 29.961 29.700 -0.006 0.000 0.768 63 E HN 0.662 nan 8.360 nan 0.000 0.457 64 D N 1.154 121.557 120.400 0.004 0.000 2.412 64 D HA -0.075 4.565 4.640 -0.000 0.000 0.257 64 D C 0.761 177.050 176.300 -0.019 0.000 1.217 64 D CA 0.025 54.036 54.000 0.018 0.000 0.897 64 D CB 0.847 41.687 40.800 0.065 0.000 1.132 64 D HN 0.061 nan 8.370 nan 0.000 0.493 65 K N 3.813 124.150 120.400 -0.105 0.000 2.107 65 K HA -0.216 4.104 4.320 -0.000 0.000 0.211 65 K C 1.876 178.320 176.600 -0.261 0.000 1.049 65 K CA 1.369 57.515 56.287 -0.235 0.000 0.927 65 K CB -0.512 31.746 32.500 -0.403 0.000 0.714 65 K HN 0.471 nan 8.250 nan 0.000 0.452 66 F N 1.548 121.485 119.950 -0.021 0.000 2.118 66 F HA -0.031 4.496 4.527 -0.000 0.000 0.293 66 F C 2.515 178.304 175.800 -0.019 0.000 1.102 66 F CA 0.992 58.977 58.000 -0.025 0.000 1.247 66 F CB -0.672 38.312 39.000 -0.027 0.000 1.017 66 F HN 0.076 nan 8.300 nan 0.000 0.475 67 E N 0.052 120.359 120.200 0.179 0.000 2.130 67 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 67 E C 1.854 178.485 176.600 0.052 0.000 0.998 67 E CA 1.426 57.882 56.400 0.094 0.000 0.806 67 E CB -0.317 29.423 29.700 0.066 0.000 0.738 67 E HN 0.307 nan 8.360 nan 0.000 0.459 68 N N 0.502 119.218 118.700 0.027 0.000 2.025 68 N HA -0.181 4.559 4.740 -0.000 0.000 0.194 68 N C 1.732 177.245 175.510 0.005 0.000 1.044 68 N CA 1.548 54.600 53.050 0.002 0.000 0.851 68 N CB -0.052 38.421 38.487 -0.024 0.000 1.036 68 N HN 0.040 nan 8.380 nan 0.000 0.422 69 M N -0.352 119.250 119.600 0.004 0.000 2.103 69 M HA -0.189 4.291 4.480 -0.000 0.000 0.255 69 M C 2.198 178.513 176.300 0.024 0.000 1.074 69 M CA 2.060 57.366 55.300 0.010 0.000 1.090 69 M CB -0.969 31.647 32.600 0.027 0.000 1.325 69 M HN 0.390 nan 8.290 nan 0.000 0.403 70 G N -0.354 108.471 108.800 0.041 0.000 2.491 70 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 70 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 70 G C 1.597 176.509 174.900 0.020 0.000 1.180 70 G CA 1.236 46.356 45.100 0.034 0.000 0.774 70 G HN 0.590 nan 8.290 nan 0.000 0.562 71 A N -0.488 122.342 122.820 0.016 0.000 1.930 71 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 71 A C 2.371 179.955 177.584 0.000 0.000 1.175 71 A CA 1.842 53.883 52.037 0.007 0.000 0.627 71 A CB -0.314 18.689 19.000 0.005 0.000 0.815 71 A HN 0.316 nan 8.150 nan 0.000 0.443 72 Q N -0.835 118.965 119.800 -0.001 0.000 2.224 72 Q HA -0.043 4.297 4.340 -0.000 0.000 0.203 72 Q C 2.026 178.022 176.000 -0.006 0.000 0.970 72 Q CA 1.129 56.927 55.803 -0.008 0.000 0.865 72 Q CB -0.343 28.388 28.738 -0.012 0.000 0.922 72 Q HN 0.767 nan 8.270 nan 0.000 0.445 73 M N -0.294 119.307 119.600 0.002 0.000 2.156 73 M HA -0.121 4.359 4.480 -0.000 0.000 0.264 73 M C 2.198 178.500 176.300 0.003 0.000 1.067 73 M CA 1.222 56.525 55.300 0.005 0.000 1.131 73 M CB -0.177 32.431 32.600 0.014 0.000 1.368 73 M HN 0.144 nan 8.290 nan 0.000 0.416 74 V N -1.623 118.293 119.914 0.004 0.000 2.667 74 V HA -0.155 3.965 4.120 -0.000 0.000 0.252 74 V C 1.834 177.921 176.094 -0.012 0.000 1.065 74 V CA 1.531 63.833 62.300 0.004 0.000 1.083 74 V CB -0.720 31.108 31.823 0.008 0.000 0.692 74 V HN 0.384 nan 8.190 nan 0.000 0.468 75 K N 0.451 120.840 120.400 -0.017 0.000 2.057 75 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 75 K C 2.284 178.856 176.600 -0.047 0.000 1.050 75 K CA 1.653 57.922 56.287 -0.031 0.000 0.935 75 K CB -0.237 32.248 32.500 -0.026 0.000 0.715 75 K HN 0.732 nan 8.250 nan 0.000 0.439 76 E N 1.052 121.229 120.200 -0.039 0.000 2.049 76 E HA -0.225 4.125 4.350 -0.000 0.000 0.198 76 E C 2.018 178.568 176.600 -0.084 0.000 1.007 76 E CA 2.086 58.456 56.400 -0.049 0.000 0.809 76 E CB -0.028 29.655 29.700 -0.028 0.000 0.749 76 E HN 0.192 nan 8.360 nan 0.000 0.450 77 V N -0.582 119.290 119.914 -0.069 0.000 2.283 77 V HA -0.056 4.064 4.120 -0.000 0.000 0.243 77 V C 2.465 178.432 176.094 -0.211 0.000 1.039 77 V CA 1.934 64.162 62.300 -0.119 0.000 1.016 77 V CB -1.212 30.620 31.823 0.015 0.000 0.650 77 V HN 0.339 nan 8.190 nan 0.000 0.449 78 A N 1.454 124.212 122.820 -0.103 0.000 2.042 78 A HA -0.230 4.090 4.320 -0.000 0.000 0.222 78 A C 2.526 180.023 177.584 -0.146 0.000 1.167 78 A CA 3.046 55.027 52.037 -0.093 0.000 0.649 78 A CB -1.155 17.820 19.000 -0.041 0.000 0.809 78 A HN 1.114 nan 8.150 nan 0.000 0.457 79 S N -0.606 115.000 115.700 -0.158 0.000 2.436 79 S HA -0.052 4.418 4.470 -0.000 0.000 0.228 79 S C 1.694 176.155 174.600 -0.231 0.000 1.014 79 S CA 0.975 59.085 58.200 -0.150 0.000 0.950 79 S CB -0.254 62.882 63.200 -0.107 0.000 0.784 79 S HN 0.622 nan 8.310 nan 0.000 0.504 80 K N 1.644 121.816 120.400 -0.381 0.000 2.211 80 K HA 0.011 4.331 4.320 -0.000 0.000 0.204 80 K C 2.355 178.594 176.600 -0.602 0.000 1.047 80 K CA 1.232 57.175 56.287 -0.573 0.000 0.935 80 K CB -0.455 31.455 32.500 -0.982 0.000 0.728 80 K HN 0.536 nan 8.250 nan 0.000 0.452 81 A N 1.307 123.816 122.820 -0.519 0.000 1.929 81 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 81 A C 1.889 179.438 177.584 -0.059 0.000 1.176 81 A CA 1.555 53.518 52.037 -0.125 0.000 0.628 81 A CB -0.481 18.542 19.000 0.039 0.000 0.816 81 A HN 0.267 nan 8.150 nan 0.000 0.444 82 N N 0.146 118.786 118.700 -0.101 0.000 2.188 82 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 82 N C 1.023 176.474 175.510 -0.098 0.000 1.018 82 N CA 1.424 54.422 53.050 -0.087 0.000 0.858 82 N CB -0.128 38.305 38.487 -0.090 0.000 0.989 82 N HN 0.347 nan 8.380 nan 0.000 0.426 83 D N -0.789 119.551 120.400 -0.099 0.000 2.312 83 D HA 0.011 4.651 4.640 -0.000 0.000 0.211 83 D C 1.345 177.625 176.300 -0.033 0.000 0.964 83 D CA 0.596 54.551 54.000 -0.075 0.000 0.877 83 D CB 0.075 40.830 40.800 -0.076 0.000 0.924 83 D HN 0.408 nan 8.370 nan 0.000 0.515 84 A N 0.276 123.092 122.820 -0.007 0.000 1.956 84 A HA 0.364 4.684 4.320 -0.000 0.000 0.212 84 A C 1.876 179.491 177.584 0.052 0.000 1.188 84 A CA 1.027 53.095 52.037 0.051 0.000 0.675 84 A CB 0.290 19.368 19.000 0.129 0.000 0.845 84 A HN 0.149 nan 8.150 nan 0.000 0.455 85 A N -1.964 120.874 122.820 0.031 0.000 2.571 85 A HA 0.478 4.798 4.320 -0.000 0.000 0.274 85 A C 1.462 179.038 177.584 -0.014 0.000 1.196 85 A CA 0.932 52.989 52.037 0.034 0.000 0.957 85 A CB -0.518 18.508 19.000 0.043 0.000 1.150 85 A HN 1.791 nan 8.150 nan 0.000 0.539 86 G N -0.397 108.338 108.800 -0.108 0.000 2.168 86 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.257 86 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.257 86 G C -0.132 174.679 174.900 -0.148 0.000 0.997 86 G CA 0.983 45.925 45.100 -0.265 0.000 0.708 86 G HN 1.070 nan 8.290 nan 0.000 0.520 87 D N -3.143 117.211 120.400 -0.077 0.000 2.807 87 D HA 0.567 5.207 4.640 -0.000 0.000 0.279 87 D C 0.458 176.746 176.300 -0.021 0.000 1.247 87 D CA 1.341 55.312 54.000 -0.047 0.000 0.749 87 D CB -0.088 40.694 40.800 -0.030 0.000 1.264 87 D HN 1.553 nan 8.370 nan 0.000 0.421 88 G N 0.177 108.968 108.800 -0.015 0.000 2.270 88 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.224 88 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.224 88 G C 0.662 175.560 174.900 -0.002 0.000 1.079 88 G CA 0.564 45.665 45.100 0.000 0.000 0.807 88 G HN 0.505 nan 8.290 nan 0.000 0.492 89 T N 0.071 114.614 114.554 -0.018 0.000 2.925 89 T HA 0.012 4.362 4.350 -0.000 0.000 0.245 89 T C 2.704 177.396 174.700 -0.013 0.000 1.025 89 T CA 1.997 64.082 62.100 -0.025 0.000 1.149 89 T CB -0.275 68.568 68.868 -0.040 0.000 0.866 89 T HN 0.427 nan 8.240 nan 0.000 0.437 90 T N 2.409 116.955 114.554 -0.013 0.000 2.699 90 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 90 T C 2.149 176.849 174.700 -0.000 0.000 1.036 90 T CA 1.946 64.042 62.100 -0.008 0.000 1.147 90 T CB -0.954 67.909 68.868 -0.009 0.000 0.862 90 T HN 0.422 nan 8.240 nan 0.000 0.446 91 T N 2.499 117.055 114.554 0.003 0.000 2.580 91 T HA -0.121 4.229 4.350 -0.000 0.000 0.265 91 T C 2.461 177.172 174.700 0.018 0.000 1.063 91 T CA 1.401 63.507 62.100 0.011 0.000 1.170 91 T CB -0.941 67.935 68.868 0.014 0.000 0.863 91 T HN 0.478 nan 8.240 nan 0.000 0.418 92 A N 1.273 124.109 122.820 0.027 0.000 1.997 92 A HA -0.206 4.114 4.320 -0.000 0.000 0.221 92 A C 2.527 180.129 177.584 0.029 0.000 1.172 92 A CA 2.355 54.417 52.037 0.042 0.000 0.645 92 A CB -1.405 17.631 19.000 0.060 0.000 0.813 92 A HN 0.544 nan 8.150 nan 0.000 0.454 93 T N -0.451 114.112 114.554 0.015 0.000 2.732 93 T HA -0.107 4.243 4.350 -0.000 0.000 0.261 93 T C 2.028 176.735 174.700 0.012 0.000 1.040 93 T CA 1.926 64.032 62.100 0.010 0.000 1.145 93 T CB -0.820 68.049 68.868 0.001 0.000 0.866 93 T HN 0.765 nan 8.240 nan 0.000 0.427 94 V N 0.756 120.676 119.914 0.010 0.000 2.688 94 V HA -0.073 4.047 4.120 -0.000 0.000 0.256 94 V C 2.106 178.208 176.094 0.013 0.000 1.084 94 V CA 1.495 63.800 62.300 0.009 0.000 1.103 94 V CB -1.055 30.773 31.823 0.008 0.000 0.688 94 V HN 0.448 nan 8.190 nan 0.000 0.480 95 L N 0.199 121.432 121.223 0.017 0.000 2.044 95 L HA 0.043 4.383 4.340 -0.000 0.000 0.205 95 L C 3.019 179.902 176.870 0.020 0.000 1.075 95 L CA 1.585 56.436 54.840 0.020 0.000 0.747 95 L CB -0.827 41.247 42.059 0.026 0.000 0.903 95 L HN 0.446 nan 8.230 nan 0.000 0.435 96 A N -0.639 122.195 122.820 0.023 0.000 1.930 96 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 96 A C 2.207 179.802 177.584 0.017 0.000 1.175 96 A CA 1.688 53.739 52.037 0.024 0.000 0.627 96 A CB -0.525 18.491 19.000 0.027 0.000 0.815 96 A HN 0.496 nan 8.150 nan 0.000 0.443 97 Q N -0.347 119.461 119.800 0.014 0.000 2.061 97 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 97 Q C 2.220 178.226 176.000 0.011 0.000 0.984 97 Q CA 1.781 57.591 55.803 0.011 0.000 0.846 97 Q CB -0.388 28.356 28.738 0.009 0.000 0.902 97 Q HN 0.588 nan 8.270 nan 0.000 0.421 98 A N 1.191 124.018 122.820 0.011 0.000 1.849 98 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 98 A C 2.050 179.640 177.584 0.010 0.000 1.202 98 A CA 1.798 53.841 52.037 0.010 0.000 0.629 98 A CB -1.009 17.998 19.000 0.010 0.000 0.834 98 A HN 0.519 nan 8.150 nan 0.000 0.447 99 I N -0.271 120.306 120.570 0.012 0.000 2.118 99 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 99 I C 2.445 178.569 176.117 0.011 0.000 1.070 99 I CA 1.838 63.145 61.300 0.012 0.000 1.327 99 I CB -0.533 37.475 38.000 0.014 0.000 1.034 99 I HN 0.346 nan 8.210 nan 0.000 0.405 100 I N 0.325 120.903 120.570 0.012 0.000 2.163 100 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 100 I C 2.615 178.737 176.117 0.009 0.000 1.085 100 I CA 1.695 63.002 61.300 0.011 0.000 1.347 100 I CB -0.705 37.303 38.000 0.013 0.000 1.044 100 I HN 0.313 nan 8.210 nan 0.000 0.408 101 T N 0.439 114.998 114.554 0.008 0.000 2.595 101 T HA -0.187 4.163 4.350 -0.000 0.000 0.264 101 T C 1.801 176.504 174.700 0.006 0.000 1.058 101 T CA 1.464 63.568 62.100 0.007 0.000 1.166 101 T CB -0.242 68.630 68.868 0.006 0.000 0.863 101 T HN 0.318 nan 8.240 nan 0.000 0.415 102 E N 0.662 120.866 120.200 0.006 0.000 2.153 102 E HA -0.038 4.312 4.350 -0.000 0.000 0.194 102 E C 2.490 179.093 176.600 0.005 0.000 0.988 102 E CA 1.027 57.430 56.400 0.005 0.000 0.811 102 E CB -0.838 28.865 29.700 0.005 0.000 0.746 102 E HN 0.584 nan 8.360 nan 0.000 0.466 103 G N 1.722 110.526 108.800 0.006 0.000 2.453 103 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.215 103 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.215 103 G C 1.715 176.618 174.900 0.006 0.000 1.201 103 G CA 0.623 45.727 45.100 0.007 0.000 0.784 103 G HN 0.191 nan 8.290 nan 0.000 0.545 104 L N 0.197 121.424 121.223 0.006 0.000 2.191 104 L HA -0.033 4.307 4.340 -0.000 0.000 0.212 104 L C 2.770 179.642 176.870 0.003 0.000 1.103 104 L CA 1.287 56.130 54.840 0.005 0.000 0.769 104 L CB -0.304 41.758 42.059 0.004 0.000 0.908 104 L HN 0.251 nan 8.230 nan 0.000 0.438 105 K N 0.583 120.986 120.400 0.003 0.000 2.057 105 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 105 K C 2.168 178.770 176.600 0.003 0.000 1.049 105 K CA 1.328 57.616 56.287 0.003 0.000 0.931 105 K CB -0.075 32.427 32.500 0.003 0.000 0.714 105 K HN 0.255 nan 8.250 nan 0.000 0.440 106 A N 0.278 123.100 122.820 0.003 0.000 1.969 106 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 106 A C 2.158 179.744 177.584 0.003 0.000 1.169 106 A CA 1.348 53.387 52.037 0.003 0.000 0.635 106 A CB -0.422 18.580 19.000 0.004 0.000 0.810 106 A HN 0.160 nan 8.150 nan 0.000 0.445 107 V N -0.131 119.786 119.914 0.004 0.000 2.358 107 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 107 V C 3.033 179.129 176.094 0.003 0.000 1.047 107 V CA 1.823 64.126 62.300 0.004 0.000 1.035 107 V CB -1.216 30.610 31.823 0.006 0.000 0.658 107 V HN 0.587 nan 8.190 nan 0.000 0.452 108 A N 0.220 123.042 122.820 0.002 0.000 1.972 108 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 108 A C 2.249 179.833 177.584 0.001 0.000 1.169 108 A CA 1.709 53.747 52.037 0.001 0.000 0.635 108 A CB -0.681 18.319 19.000 0.000 0.000 0.810 108 A HN 0.612 nan 8.150 nan 0.000 0.446 109 A N -1.669 121.152 122.820 0.001 0.000 2.264 109 A HA 0.347 4.667 4.320 -0.000 0.000 0.207 109 A C 1.946 179.531 177.584 0.001 0.000 1.196 109 A CA 1.347 53.385 52.037 0.001 0.000 0.778 109 A CB -1.202 17.798 19.000 0.001 0.000 0.779 109 A HN 1.908 nan 8.150 nan 0.000 0.483 110 G N -1.915 106.885 108.800 0.001 0.000 2.225 110 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.254 110 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.254 110 G C 0.410 175.311 174.900 0.002 0.000 0.988 110 G CA 0.432 45.533 45.100 0.001 0.000 0.625 110 G HN 0.449 nan 8.290 nan 0.000 0.527 111 M N 0.503 120.104 119.600 0.002 0.000 2.184 111 M HA 0.158 4.638 4.480 -0.000 0.000 0.296 111 M C 0.892 177.194 176.300 0.004 0.000 1.165 111 M CA -0.052 55.249 55.300 0.003 0.000 1.175 111 M CB 0.081 32.683 32.600 0.003 0.000 1.392 111 M HN 0.275 nan 8.290 nan 0.000 0.457 112 N N 1.099 119.802 118.700 0.004 0.000 2.514 112 N HA 0.184 4.924 4.740 -0.000 0.000 0.277 112 N C -2.306 173.208 175.510 0.006 0.000 1.126 112 N CA -1.564 51.489 53.050 0.005 0.000 0.978 112 N CB 1.533 40.023 38.487 0.004 0.000 1.106 112 N HN 0.195 nan 8.380 nan 0.000 0.461 113 P HA 0.015 nan 4.420 nan 0.000 0.214 113 P C 1.665 178.970 177.300 0.009 0.000 1.162 113 P CA 1.128 64.233 63.100 0.009 0.000 0.871 113 P CB 0.212 31.919 31.700 0.012 0.000 0.783 114 M N -0.484 119.121 119.600 0.009 0.000 2.346 114 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 114 M C 1.210 177.514 176.300 0.006 0.000 1.064 114 M CA 1.586 56.891 55.300 0.008 0.000 1.083 114 M CB -1.434 31.171 32.600 0.008 0.000 1.399 114 M HN 0.043 nan 8.290 nan 0.000 0.435 115 D N -0.196 120.207 120.400 0.005 0.000 2.197 115 D HA 0.048 4.688 4.640 -0.000 0.000 0.212 115 D C 2.256 178.559 176.300 0.004 0.000 0.963 115 D CA 0.574 54.576 54.000 0.004 0.000 0.864 115 D CB 0.112 40.914 40.800 0.003 0.000 1.009 115 D HN 0.298 nan 8.370 nan 0.000 0.479 116 L N 1.313 122.539 121.223 0.005 0.000 2.051 116 L HA -0.235 4.105 4.340 -0.000 0.000 0.214 116 L C 2.575 179.448 176.870 0.005 0.000 1.076 116 L CA 1.305 56.148 54.840 0.005 0.000 0.758 116 L CB -0.382 41.680 42.059 0.006 0.000 0.890 116 L HN 0.034 nan 8.230 nan 0.000 0.433 117 K N 0.530 120.934 120.400 0.006 0.000 1.969 117 K HA -0.267 4.053 4.320 -0.000 0.000 0.216 117 K C 2.291 178.893 176.600 0.003 0.000 1.048 117 K CA 1.800 58.090 56.287 0.005 0.000 0.948 117 K CB -0.200 32.304 32.500 0.007 0.000 0.726 117 K HN 0.032 nan 8.250 nan 0.000 0.442 118 R N -0.262 120.239 120.500 0.002 0.000 2.133 118 R HA -0.148 4.192 4.340 -0.000 0.000 0.247 118 R C 2.285 178.586 176.300 0.000 0.000 1.151 118 R CA 1.835 57.935 56.100 0.001 0.000 0.971 118 R CB -0.640 29.660 30.300 0.001 0.000 0.866 118 R HN 0.525 nan 8.270 nan 0.000 0.447 119 G N 0.245 109.045 108.800 0.001 0.000 2.432 119 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 119 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 119 G C 1.387 176.288 174.900 0.001 0.000 1.135 119 G CA 0.716 45.816 45.100 0.001 0.000 0.767 119 G HN 0.277 nan 8.290 nan 0.000 0.550 120 I N 0.802 121.373 120.570 0.001 0.000 2.233 120 I HA -0.075 4.095 4.170 -0.000 0.000 0.243 120 I C 2.096 178.212 176.117 -0.002 0.000 1.093 120 I CA 0.956 62.257 61.300 0.001 0.000 1.380 120 I CB -0.110 37.892 38.000 0.003 0.000 1.067 120 I HN 0.018 nan 8.210 nan 0.000 0.413 121 D N 0.855 121.253 120.400 -0.004 0.000 2.218 121 D HA -0.211 4.429 4.640 -0.000 0.000 0.204 121 D C 1.981 178.276 176.300 -0.009 0.000 0.976 121 D CA 1.121 55.116 54.000 -0.009 0.000 0.853 121 D CB -0.120 40.674 40.800 -0.009 0.000 0.939 121 D HN 0.329 nan 8.370 nan 0.000 0.481 122 K N 0.853 121.249 120.400 -0.006 0.000 2.007 122 K HA -0.015 4.305 4.320 -0.000 0.000 0.206 122 K C 2.090 178.687 176.600 -0.005 0.000 1.047 122 K CA 1.099 57.382 56.287 -0.005 0.000 0.937 122 K CB -0.087 32.411 32.500 -0.003 0.000 0.718 122 K HN -0.035 nan 8.250 nan 0.000 0.438 123 A N 0.704 123.523 122.820 -0.003 0.000 2.042 123 A HA -0.149 4.171 4.320 -0.000 0.000 0.222 123 A C 2.151 179.733 177.584 -0.003 0.000 1.167 123 A CA 1.885 53.921 52.037 -0.001 0.000 0.649 123 A CB -0.609 18.392 19.000 0.001 0.000 0.809 123 A HN 0.222 nan 8.150 nan 0.000 0.457 124 V N -1.731 118.179 119.914 -0.007 0.000 2.331 124 V HA -0.145 3.975 4.120 -0.000 0.000 0.242 124 V C 2.602 178.687 176.094 -0.015 0.000 1.034 124 V CA 2.146 64.439 62.300 -0.011 0.000 1.027 124 V CB -1.106 30.706 31.823 -0.017 0.000 0.667 124 V HN 0.541 nan 8.190 nan 0.000 0.457 125 T N 0.352 114.896 114.554 -0.016 0.000 2.714 125 T HA -0.294 4.056 4.350 -0.000 0.000 0.268 125 T C 1.887 176.580 174.700 -0.012 0.000 1.036 125 T CA 2.066 64.156 62.100 -0.017 0.000 1.148 125 T CB -0.303 68.556 68.868 -0.014 0.000 0.856 125 T HN 0.568 nan 8.240 nan 0.000 0.462 126 A N 0.791 123.606 122.820 -0.008 0.000 1.874 126 A HA 0.345 4.665 4.320 -0.000 0.000 0.214 126 A C 2.643 180.226 177.584 -0.002 0.000 1.189 126 A CA 1.588 53.622 52.037 -0.004 0.000 0.615 126 A CB -1.124 17.875 19.000 -0.001 0.000 0.830 126 A HN 0.512 nan 8.150 nan 0.000 0.443 127 A N -0.424 122.394 122.820 -0.002 0.000 1.986 127 A HA -0.044 4.276 4.320 -0.000 0.000 0.220 127 A C 2.171 179.754 177.584 -0.002 0.000 1.171 127 A CA 1.899 53.936 52.037 -0.000 0.000 0.640 127 A CB -0.839 18.161 19.000 0.000 0.000 0.811 127 A HN 0.389 nan 8.150 nan 0.000 0.451 128 V N -0.057 119.852 119.914 -0.008 0.000 2.453 128 V HA -0.160 3.960 4.120 -0.000 0.000 0.247 128 V C 2.500 178.590 176.094 -0.006 0.000 1.048 128 V CA 1.961 64.255 62.300 -0.010 0.000 1.049 128 V CB -0.563 31.247 31.823 -0.021 0.000 0.672 128 V HN 0.514 nan 8.190 nan 0.000 0.457 129 E N -0.012 120.185 120.200 -0.004 0.000 2.107 129 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 129 E C 2.148 178.750 176.600 0.002 0.000 0.982 129 E CA 0.841 57.241 56.400 -0.001 0.000 0.809 129 E CB -0.145 29.554 29.700 -0.002 0.000 0.756 129 E HN 0.581 nan 8.360 nan 0.000 0.459 130 E N 0.442 120.644 120.200 0.003 0.000 2.409 130 E HA -0.105 4.245 4.350 -0.000 0.000 0.198 130 E C 1.625 178.231 176.600 0.010 0.000 1.024 130 E CA 0.222 56.626 56.400 0.007 0.000 0.861 130 E CB -0.011 29.694 29.700 0.008 0.000 0.788 130 E HN 0.059 nan 8.360 nan 0.000 0.521 131 L N -0.236 120.991 121.223 0.007 0.000 2.357 131 L HA 0.159 4.499 4.340 -0.000 0.000 0.211 131 L C 1.642 178.517 176.870 0.009 0.000 1.075 131 L CA 1.004 55.849 54.840 0.009 0.000 0.830 131 L CB 0.060 42.123 42.059 0.007 0.000 0.996 131 L HN -0.099 nan 8.230 nan 0.000 0.467 132 K N -0.519 119.885 120.400 0.006 0.000 2.148 132 K HA -0.050 4.270 4.320 -0.000 0.000 0.204 132 K C 1.980 178.585 176.600 0.009 0.000 1.050 132 K CA 1.116 57.407 56.287 0.007 0.000 0.942 132 K CB -0.166 32.337 32.500 0.004 0.000 0.724 132 K HN 0.389 nan 8.250 nan 0.000 0.446 133 A N 1.249 124.075 122.820 0.010 0.000 1.929 133 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 133 A C 1.996 179.589 177.584 0.014 0.000 1.176 133 A CA 0.834 52.877 52.037 0.011 0.000 0.628 133 A CB -0.379 18.628 19.000 0.010 0.000 0.816 133 A HN 0.242 nan 8.150 nan 0.000 0.444 134 L N -0.153 121.079 121.223 0.016 0.000 2.376 134 L HA 0.019 4.359 4.340 -0.000 0.000 0.219 134 L C 1.264 178.145 176.870 0.019 0.000 1.133 134 L CA 0.398 55.250 54.840 0.020 0.000 0.816 134 L CB -0.051 42.022 42.059 0.023 0.000 0.933 134 L HN 0.355 nan 8.230 nan 0.000 0.449 135 S N 0.159 115.868 115.700 0.016 0.000 2.509 135 S HA 0.083 4.553 4.470 -0.000 0.000 0.287 135 S C -0.045 174.564 174.600 0.015 0.000 1.248 135 S CA -0.561 57.648 58.200 0.015 0.000 1.089 135 S CB 0.240 63.448 63.200 0.013 0.000 0.900 135 S HN 0.067 nan 8.310 nan 0.000 0.496 136 V N 9.423 129.346 119.914 0.015 0.000 2.455 136 V HA 0.248 4.368 4.120 -0.000 0.000 0.273 136 V C -1.690 174.411 176.094 0.013 0.000 1.045 136 V CA -1.576 60.733 62.300 0.015 0.000 0.976 136 V CB 0.513 32.345 31.823 0.015 0.000 0.993 136 V HN 0.758 nan 8.190 nan 0.000 0.475 137 P HA 0.078 nan 4.420 nan 0.000 0.271 137 P C -0.423 176.883 177.300 0.010 0.000 1.233 137 P CA -0.125 62.981 63.100 0.010 0.000 0.795 137 P CB 0.337 32.043 31.700 0.010 0.000 0.936 138 C N 0.756 120.061 119.300 0.009 0.000 3.212 138 C HA 0.399 4.859 4.460 -0.000 0.000 0.367 138 C C 0.776 175.770 174.990 0.007 0.000 0.979 138 C CA 0.063 59.086 59.018 0.008 0.000 1.283 138 C CB -1.210 26.535 27.740 0.009 0.000 1.644 138 C HN 0.535 nan 8.230 nan 0.000 0.575 139 S N 1.355 117.058 115.700 0.006 0.000 2.741 139 S HA 0.150 4.620 4.470 -0.000 0.000 0.245 139 S C 0.201 174.804 174.600 0.004 0.000 1.083 139 S CA 0.169 58.372 58.200 0.005 0.000 0.873 139 S CB 0.082 63.285 63.200 0.005 0.000 0.814 139 S HN 0.942 nan 8.310 nan 0.000 0.476 140 D N 2.486 122.888 120.400 0.004 0.000 2.425 140 D HA 0.054 4.694 4.640 -0.000 0.000 0.247 140 D C 0.949 177.250 176.300 0.002 0.000 1.147 140 D CA 0.210 54.211 54.000 0.003 0.000 0.879 140 D CB 1.062 41.864 40.800 0.003 0.000 1.179 140 D HN 0.219 nan 8.370 nan 0.000 0.456 141 S N 1.573 117.273 115.700 0.001 0.000 2.559 141 S HA -0.260 4.210 4.470 -0.000 0.000 0.250 141 S C 1.410 176.010 174.600 0.000 0.000 0.977 141 S CA 0.860 59.060 58.200 0.000 0.000 0.958 141 S CB -0.351 62.848 63.200 -0.001 0.000 0.751 141 S HN 0.636 nan 8.310 nan 0.000 0.534 142 K N 0.829 121.230 120.400 0.001 0.000 2.228 142 K HA 0.200 4.520 4.320 -0.000 0.000 0.202 142 K C 2.095 178.696 176.600 0.002 0.000 1.051 142 K CA 0.819 57.107 56.287 0.002 0.000 0.960 142 K CB -0.384 32.117 32.500 0.002 0.000 0.743 142 K HN 0.454 nan 8.250 nan 0.000 0.458 143 A N 1.106 123.927 122.820 0.003 0.000 1.911 143 A HA 0.058 4.378 4.320 -0.000 0.000 0.212 143 A C 1.963 179.548 177.584 0.003 0.000 1.189 143 A CA 0.447 52.486 52.037 0.004 0.000 0.639 143 A CB -0.357 18.646 19.000 0.005 0.000 0.839 143 A HN 0.233 nan 8.150 nan 0.000 0.449 144 I N 0.313 120.884 120.570 0.002 0.000 2.091 144 I HA -0.359 3.811 4.170 -0.000 0.000 0.239 144 I C 2.912 179.029 176.117 0.001 0.000 1.061 144 I CA 1.433 62.734 61.300 0.001 0.000 1.317 144 I CB -0.364 37.635 38.000 -0.001 0.000 1.031 144 I HN 0.351 nan 8.210 nan 0.000 0.401 145 A N -0.320 122.499 122.820 -0.000 0.000 2.131 145 A HA -0.288 4.032 4.320 -0.000 0.000 0.220 145 A C 2.151 179.735 177.584 -0.000 0.000 1.158 145 A CA 2.108 54.144 52.037 -0.001 0.000 0.665 145 A CB -0.548 18.452 19.000 -0.001 0.000 0.795 145 A HN 0.554 nan 8.150 nan 0.000 0.460 146 Q N -0.858 118.943 119.800 0.001 0.000 2.226 146 Q HA 0.025 4.365 4.340 -0.000 0.000 0.199 146 Q C 1.746 177.747 176.000 0.002 0.000 0.945 146 Q CA 1.511 57.314 55.803 0.001 0.000 0.861 146 Q CB -0.170 28.569 28.738 0.002 0.000 0.953 146 Q HN 0.283 nan 8.270 nan 0.000 0.490 147 V N 0.320 120.236 119.914 0.003 0.000 2.307 147 V HA -0.113 4.007 4.120 -0.000 0.000 0.245 147 V C 2.233 178.331 176.094 0.005 0.000 1.045 147 V CA 1.834 64.136 62.300 0.005 0.000 1.024 147 V CB -1.274 30.554 31.823 0.007 0.000 0.651 147 V HN 0.597 nan 8.190 nan 0.000 0.449 148 G N -0.421 108.381 108.800 0.004 0.000 2.469 148 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 148 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 148 G C 1.679 176.580 174.900 0.003 0.000 1.136 148 G CA 1.716 46.818 45.100 0.004 0.000 0.759 148 G HN 0.473 nan 8.290 nan 0.000 0.562 149 T N 1.270 115.824 114.554 0.001 0.000 2.668 149 T HA -0.025 4.325 4.350 -0.000 0.000 0.262 149 T C 2.408 177.107 174.700 -0.001 0.000 1.045 149 T CA 1.005 63.105 62.100 -0.001 0.000 1.152 149 T CB -0.205 68.662 68.868 -0.002 0.000 0.864 149 T HN 0.258 nan 8.240 nan 0.000 0.419 150 I N 1.204 121.773 120.570 -0.002 0.000 2.315 150 I HA -0.119 4.051 4.170 -0.000 0.000 0.251 150 I C 1.367 177.482 176.117 -0.003 0.000 1.125 150 I CA 0.843 62.140 61.300 -0.004 0.000 1.392 150 I CB -0.313 37.684 38.000 -0.005 0.000 1.065 150 I HN 0.061 nan 8.210 nan 0.000 0.424 151 S N 1.274 116.975 115.700 0.002 0.000 3.324 151 S HA 0.499 4.968 4.470 -0.000 0.000 0.229 151 S C 0.459 175.063 174.600 0.006 0.000 1.417 151 S CA 0.273 58.477 58.200 0.006 0.000 1.211 151 S CB -0.118 63.090 63.200 0.014 0.000 1.157 151 S HN 0.475 nan 8.310 nan 0.000 0.491 152 A N 1.674 124.495 122.820 0.001 0.000 2.297 152 A HA 0.360 4.680 4.320 -0.000 0.000 0.230 152 A C 0.334 177.916 177.584 -0.003 0.000 2.091 152 A CA -0.858 51.179 52.037 0.001 0.000 1.861 152 A CB -0.995 18.006 19.000 0.003 0.000 0.755 152 A HN 0.363 nan 8.150 nan 0.000 0.905 153 N N 0.657 119.353 118.700 -0.006 0.000 2.666 153 N HA -0.214 4.526 4.740 -0.000 0.000 0.248 153 N C 0.407 175.912 175.510 -0.009 0.000 1.118 153 N CA 1.712 54.756 53.050 -0.009 0.000 0.722 153 N CB -1.057 37.425 38.487 -0.009 0.000 1.050 153 N HN 1.226 nan 8.380 nan 0.000 0.550 154 S N -1.771 113.924 115.700 -0.008 0.000 3.867 154 S HA -0.193 4.277 4.470 -0.000 0.000 0.334 154 S C -0.456 174.141 174.600 -0.005 0.000 1.069 154 S CA 0.581 58.776 58.200 -0.007 0.000 0.977 154 S CB -0.815 62.379 63.200 -0.009 0.000 0.889 154 S HN 0.595 nan 8.310 nan 0.000 0.484 155 D N 1.444 121.841 120.400 -0.004 0.000 2.468 155 D HA 0.195 4.835 4.640 -0.000 0.000 0.218 155 D C 1.150 177.448 176.300 -0.003 0.000 1.155 155 D CA -0.345 53.653 54.000 -0.003 0.000 0.924 155 D CB 0.420 41.218 40.800 -0.003 0.000 1.029 155 D HN 0.461 nan 8.370 nan 0.000 0.515 156 E N 1.257 121.455 120.200 -0.003 0.000 2.396 156 E HA -0.130 4.220 4.350 -0.000 0.000 0.200 156 E C 1.122 177.720 176.600 -0.003 0.000 1.023 156 E CA 0.858 57.257 56.400 -0.003 0.000 0.857 156 E CB 0.369 30.067 29.700 -0.003 0.000 0.775 156 E HN 0.501 nan 8.360 nan 0.000 0.525 157 T N 0.419 114.972 114.554 -0.003 0.000 2.732 157 T HA -0.103 4.247 4.350 -0.000 0.000 0.261 157 T C 2.164 176.862 174.700 -0.003 0.000 1.040 157 T CA 0.940 63.038 62.100 -0.003 0.000 1.145 157 T CB -0.238 68.629 68.868 -0.003 0.000 0.866 157 T HN -0.008 nan 8.240 nan 0.000 0.427 158 V N 1.800 121.713 119.914 -0.003 0.000 2.231 158 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 158 V C 2.913 179.005 176.094 -0.003 0.000 1.054 158 V CA 2.173 64.471 62.300 -0.003 0.000 1.015 158 V CB -1.564 30.258 31.823 -0.001 0.000 0.638 158 V HN 0.624 nan 8.190 nan 0.000 0.444 159 G N -0.488 108.311 108.800 -0.002 0.000 2.513 159 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.219 159 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.219 159 G C 1.647 176.545 174.900 -0.003 0.000 1.160 159 G CA 1.401 46.500 45.100 -0.002 0.000 0.767 159 G HN 0.523 nan 8.290 nan 0.000 0.571 160 K N -0.063 120.335 120.400 -0.003 0.000 2.026 160 K HA 0.035 4.355 4.320 -0.000 0.000 0.208 160 K C 2.532 179.129 176.600 -0.005 0.000 1.048 160 K CA 1.014 57.299 56.287 -0.004 0.000 0.929 160 K CB -0.341 32.157 32.500 -0.003 0.000 0.713 160 K HN 0.340 nan 8.250 nan 0.000 0.439 161 L N 1.142 122.361 121.223 -0.006 0.000 2.013 161 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 161 L C 2.433 179.298 176.870 -0.010 0.000 1.073 161 L CA 1.467 56.302 54.840 -0.007 0.000 0.753 161 L CB -0.292 41.762 42.059 -0.007 0.000 0.890 161 L HN 0.332 nan 8.230 nan 0.000 0.432 162 I N -0.640 119.924 120.570 -0.010 0.000 2.127 162 I HA -0.353 3.817 4.170 -0.000 0.000 0.241 162 I C 2.783 178.893 176.117 -0.012 0.000 1.075 162 I CA 1.327 62.619 61.300 -0.013 0.000 1.334 162 I CB -0.595 37.398 38.000 -0.012 0.000 1.040 162 I HN 0.301 nan 8.210 nan 0.000 0.405 163 A N 0.735 123.550 122.820 -0.008 0.000 1.873 163 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 163 A C 2.168 179.748 177.584 -0.007 0.000 1.193 163 A CA 2.172 54.205 52.037 -0.007 0.000 0.629 163 A CB -0.885 18.113 19.000 -0.004 0.000 0.826 163 A HN 0.512 nan 8.150 nan 0.000 0.447 164 E N -0.391 119.805 120.200 -0.007 0.000 2.171 164 E HA -0.168 4.182 4.350 -0.000 0.000 0.197 164 E C 2.218 178.813 176.600 -0.008 0.000 0.997 164 E CA 0.956 57.352 56.400 -0.007 0.000 0.810 164 E CB -0.306 29.390 29.700 -0.006 0.000 0.738 164 E HN 0.668 nan 8.360 nan 0.000 0.467 165 A N 1.303 124.117 122.820 -0.011 0.000 1.840 165 A HA -0.113 4.207 4.320 -0.000 0.000 0.214 165 A C 2.174 179.750 177.584 -0.013 0.000 1.198 165 A CA 0.980 53.009 52.037 -0.013 0.000 0.608 165 A CB -0.427 18.563 19.000 -0.017 0.000 0.839 165 A HN 0.091 nan 8.150 nan 0.000 0.443 166 M N -0.350 119.242 119.600 -0.013 0.000 2.260 166 M HA -0.208 4.272 4.480 -0.000 0.000 0.261 166 M C 1.710 178.005 176.300 -0.009 0.000 1.066 166 M CA 2.004 57.297 55.300 -0.012 0.000 1.082 166 M CB -0.644 31.950 32.600 -0.011 0.000 1.388 166 M HN 0.593 nan 8.290 nan 0.000 0.419 167 D N 0.472 120.867 120.400 -0.007 0.000 2.183 167 D HA -0.107 4.533 4.640 -0.000 0.000 0.203 167 D C 1.826 178.123 176.300 -0.006 0.000 0.969 167 D CA 1.190 55.186 54.000 -0.006 0.000 0.842 167 D CB 0.191 40.988 40.800 -0.005 0.000 0.957 167 D HN 0.229 nan 8.370 nan 0.000 0.484 168 K N -0.627 119.769 120.400 -0.007 0.000 2.186 168 K HA 0.014 4.334 4.320 -0.000 0.000 0.202 168 K C 1.607 178.203 176.600 -0.007 0.000 1.052 168 K CA 1.122 57.405 56.287 -0.007 0.000 0.965 168 K CB 0.616 33.112 32.500 -0.007 0.000 0.746 168 K HN 0.211 nan 8.250 nan 0.000 0.457 169 V N -3.450 116.459 119.914 -0.008 0.000 3.477 169 V HA 0.393 4.513 4.120 -0.000 0.000 0.297 169 V C 0.468 176.558 176.094 -0.007 0.000 1.433 169 V CA -0.055 62.240 62.300 -0.008 0.000 1.052 169 V CB 0.065 31.882 31.823 -0.010 0.000 0.895 169 V HN 0.290 nan 8.190 nan 0.000 0.438 170 G N 1.267 110.063 108.800 -0.007 0.000 2.699 170 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 170 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 170 G C 0.010 174.907 174.900 -0.006 0.000 1.301 170 G CA -0.007 45.090 45.100 -0.005 0.000 0.816 170 G HN 0.272 nan 8.290 nan 0.000 0.595 171 K N 0.033 120.431 120.400 -0.004 0.000 2.209 171 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 171 K C 1.653 178.250 176.600 -0.005 0.000 1.048 171 K CA 1.625 57.909 56.287 -0.005 0.000 0.940 171 K CB 0.025 32.525 32.500 -0.001 0.000 0.729 171 K HN 0.489 nan 8.250 nan 0.000 0.451 172 E N 0.352 120.550 120.200 -0.003 0.000 2.474 172 E HA 0.051 4.401 4.350 -0.000 0.000 0.195 172 E C 1.046 177.643 176.600 -0.005 0.000 1.039 172 E CA 0.034 56.432 56.400 -0.002 0.000 0.881 172 E CB 0.201 29.902 29.700 0.002 0.000 0.970 172 E HN 0.279 nan 8.360 nan 0.000 0.486 173 G N 1.131 109.926 108.800 -0.009 0.000 2.527 173 G HA2 0.209 4.169 3.960 -0.000 0.000 0.279 173 G HA3 0.209 4.169 3.960 -0.000 0.000 0.279 173 G C 0.015 174.905 174.900 -0.018 0.000 1.374 173 G CA -0.270 44.823 45.100 -0.011 0.000 1.053 173 G HN 0.029 nan 8.290 nan 0.000 0.539 174 V N -0.078 119.824 119.914 -0.020 0.000 2.407 174 V HA 0.486 4.606 4.120 -0.000 0.000 0.291 174 V C -0.272 175.801 176.094 -0.035 0.000 1.018 174 V CA -0.513 61.770 62.300 -0.029 0.000 0.842 174 V CB 1.172 32.981 31.823 -0.023 0.000 0.996 174 V HN 0.510 nan 8.190 nan 0.000 0.426 175 I N 3.456 123.997 120.570 -0.049 0.000 2.406 175 I HA 0.562 4.732 4.170 -0.000 0.000 0.290 175 I C 0.089 176.171 176.117 -0.058 0.000 0.999 175 I CA -0.127 61.143 61.300 -0.049 0.000 1.124 175 I CB 2.159 40.126 38.000 -0.054 0.000 1.289 175 I HN 0.548 nan 8.210 nan 0.000 0.441 176 T N 5.318 119.846 114.554 -0.044 0.000 2.855 176 T HA 0.568 4.918 4.350 -0.000 0.000 0.281 176 T C -0.356 174.324 174.700 -0.033 0.000 1.007 176 T CA -0.518 61.558 62.100 -0.041 0.000 1.009 176 T CB 2.316 71.165 68.868 -0.033 0.000 0.983 176 T HN 0.189 nan 8.240 nan 0.000 0.455 177 V N 3.221 123.118 119.914 -0.029 0.000 2.448 177 V HA 0.513 4.633 4.120 -0.000 0.000 0.295 177 V C -0.093 175.992 176.094 -0.014 0.000 1.025 177 V CA -0.703 61.585 62.300 -0.020 0.000 0.859 177 V CB 1.606 33.419 31.823 -0.018 0.000 0.988 177 V HN 0.876 nan 8.190 nan 0.000 0.431 178 E N 1.851 122.043 120.200 -0.012 0.000 2.428 178 E HA 0.447 4.797 4.350 -0.000 0.000 0.259 178 E C -1.442 175.153 176.600 -0.007 0.000 0.930 178 E CA -1.082 55.312 56.400 -0.010 0.000 0.823 178 E CB 1.503 31.196 29.700 -0.012 0.000 1.403 178 E HN 0.569 nan 8.360 nan 0.000 0.415 179 D N 0.578 120.974 120.400 -0.007 0.000 2.345 179 D HA 0.248 4.888 4.640 -0.000 0.000 0.247 179 D C -0.031 176.265 176.300 -0.006 0.000 1.108 179 D CA 0.116 54.113 54.000 -0.006 0.000 0.894 179 D CB 1.288 42.086 40.800 -0.005 0.000 1.203 179 D HN 0.466 nan 8.370 nan 0.000 0.430 180 G N -0.538 108.259 108.800 -0.006 0.000 2.537 180 G HA2 0.307 4.267 3.960 -0.000 0.000 0.273 180 G HA3 0.307 4.267 3.960 -0.000 0.000 0.273 180 G C 0.689 175.585 174.900 -0.006 0.000 1.189 180 G CA -0.502 44.595 45.100 -0.006 0.000 0.881 180 G HN 0.420 nan 8.290 nan 0.000 0.535 181 T N -2.310 112.241 114.554 -0.006 0.000 3.273 181 T HA 0.542 4.892 4.350 -0.000 0.000 0.254 181 T C 0.983 175.681 174.700 -0.005 0.000 1.002 181 T CA 0.508 62.605 62.100 -0.005 0.000 0.913 181 T CB -0.389 68.476 68.868 -0.006 0.000 1.056 181 T HN 1.914 nan 8.240 nan 0.000 0.576 182 G N 0.865 109.662 108.800 -0.004 0.000 2.278 182 G HA2 0.166 4.126 3.960 -0.000 0.000 0.265 182 G HA3 0.166 4.126 3.960 -0.000 0.000 0.265 182 G C -1.404 173.494 174.900 -0.004 0.000 1.329 182 G CA -0.627 44.471 45.100 -0.004 0.000 1.017 182 G HN 0.397 nan 8.290 nan 0.000 0.472 183 L N 0.802 122.023 121.223 -0.003 0.000 2.464 183 L HA 0.611 4.951 4.340 -0.000 0.000 0.264 183 L C 0.406 177.274 176.870 -0.003 0.000 1.199 183 L CA 0.749 55.588 54.840 -0.003 0.000 0.818 183 L CB 0.393 42.450 42.059 -0.003 0.000 1.102 183 L HN 1.035 nan 8.230 nan 0.000 0.473 184 Q N 1.960 121.758 119.800 -0.003 0.000 3.215 184 Q HA -0.094 4.246 4.340 -0.000 0.000 0.034 184 Q C -1.459 174.538 176.000 -0.004 0.000 1.698 184 Q CA 0.298 56.099 55.803 -0.004 0.000 0.248 184 Q CB -0.261 28.475 28.738 -0.004 0.000 0.583 184 Q HN 0.653 nan 8.270 nan 0.000 0.322 185 D N 2.554 122.951 120.400 -0.005 0.000 2.253 185 D HA 0.357 4.997 4.640 -0.000 0.000 0.249 185 D C -0.197 176.100 176.300 -0.006 0.000 1.049 185 D CA -0.164 53.833 54.000 -0.005 0.000 0.929 185 D CB 1.070 41.867 40.800 -0.006 0.000 1.176 185 D HN 0.320 nan 8.370 nan 0.000 0.437 186 E N 0.110 120.306 120.200 -0.007 0.000 2.288 186 E HA 0.589 4.939 4.350 -0.000 0.000 0.268 186 E C -1.140 175.456 176.600 -0.008 0.000 0.885 186 E CA -0.941 55.455 56.400 -0.007 0.000 0.767 186 E CB 2.688 32.384 29.700 -0.007 0.000 1.220 186 E HN 0.126 nan 8.360 nan 0.000 0.427 187 L N 2.499 123.717 121.223 -0.008 0.000 2.513 187 L HA 0.559 4.899 4.340 -0.000 0.000 0.261 187 L C -2.217 174.647 176.870 -0.009 0.000 0.945 187 L CA -0.230 54.605 54.840 -0.009 0.000 0.848 187 L CB 2.020 44.074 42.059 -0.009 0.000 1.334 187 L HN 0.685 nan 8.230 nan 0.000 0.407 188 D N 2.850 123.244 120.400 -0.010 0.000 2.783 188 D HA 0.298 4.938 4.640 -0.000 0.000 0.253 188 D C -1.588 174.706 176.300 -0.009 0.000 1.206 188 D CA -0.413 53.582 54.000 -0.009 0.000 0.740 188 D CB 1.508 42.303 40.800 -0.008 0.000 1.313 188 D HN 0.392 nan 8.370 nan 0.000 0.427 189 V N 0.126 120.035 119.914 -0.008 0.000 2.539 189 V HA 0.635 4.755 4.120 -0.000 0.000 0.292 189 V C 0.543 176.633 176.094 -0.006 0.000 1.045 189 V CA -0.630 61.666 62.300 -0.008 0.000 0.945 189 V CB 1.269 33.088 31.823 -0.007 0.000 0.993 189 V HN 0.624 nan 8.190 nan 0.000 0.464 190 V N 0.713 120.624 119.914 -0.006 0.000 2.914 190 V HA 0.638 4.758 4.120 -0.000 0.000 0.314 190 V C -0.287 175.806 176.094 -0.002 0.000 1.084 190 V CA -1.060 61.237 62.300 -0.005 0.000 0.963 190 V CB 2.079 33.898 31.823 -0.007 0.000 1.025 190 V HN 0.711 nan 8.190 nan 0.000 0.432 191 E N 2.296 122.496 120.200 0.001 0.000 2.406 191 E HA 0.442 4.792 4.350 -0.000 0.000 0.247 191 E C 0.344 176.949 176.600 0.009 0.000 1.160 191 E CA 0.882 57.285 56.400 0.005 0.000 0.950 191 E CB 0.516 30.220 29.700 0.006 0.000 0.993 191 E HN 1.097 nan 8.360 nan 0.000 0.472 192 G N 1.616 110.423 108.800 0.012 0.000 2.827 192 G HA2 0.734 4.694 3.960 -0.000 0.000 0.296 192 G HA3 0.734 4.694 3.960 -0.000 0.000 0.296 192 G C -0.985 173.934 174.900 0.030 0.000 1.362 192 G CA -0.590 44.521 45.100 0.018 0.000 0.809 192 G HN 0.394 nan 8.290 nan 0.000 0.522 193 M N -0.587 119.038 119.600 0.042 0.000 2.732 193 M HA 0.570 5.050 4.480 -0.000 0.000 0.272 193 M C -2.412 173.925 176.300 0.062 0.000 1.203 193 M CA -0.684 54.658 55.300 0.070 0.000 0.841 193 M CB 2.453 35.123 32.600 0.117 0.000 1.685 193 M HN 0.703 nan 8.290 nan 0.000 0.492 194 Q N 2.965 122.813 119.800 0.081 0.000 2.280 194 Q HA 0.531 4.871 4.340 -0.000 0.000 0.259 194 Q C -2.282 173.767 176.000 0.083 0.000 0.964 194 Q CA -0.640 55.153 55.803 -0.015 0.000 0.844 194 Q CB 1.659 30.360 28.738 -0.062 0.000 1.334 194 Q HN 0.591 nan 8.270 nan 0.000 0.423 195 F N 0.147 120.095 119.950 -0.003 0.000 2.575 195 F HA 0.578 5.105 4.527 -0.000 0.000 0.330 195 F C -0.143 175.655 175.800 -0.002 0.000 1.056 195 F CA -1.240 56.760 58.000 -0.000 0.000 0.964 195 F CB 0.906 39.908 39.000 0.002 0.000 1.258 195 F HN 0.300 nan 8.300 nan 0.000 0.484 196 D N 2.544 123.061 120.400 0.196 0.000 2.713 196 D HA 0.160 4.800 4.640 -0.000 0.000 0.229 196 D C -0.220 176.143 176.300 0.105 0.000 1.136 196 D CA 0.185 54.237 54.000 0.086 0.000 1.010 196 D CB -0.023 40.822 40.800 0.075 0.000 1.084 196 D HN 0.245 nan 8.370 nan 0.000 0.495 197 R N 0.243 120.791 120.500 0.081 0.000 2.575 197 R HA 0.560 4.900 4.340 -0.000 0.000 0.293 197 R C 0.346 176.614 176.300 -0.054 0.000 0.983 197 R CA -0.735 55.417 56.100 0.086 0.000 0.887 197 R CB 2.260 32.736 30.300 0.294 0.000 1.184 197 R HN 0.194 nan 8.270 nan 0.000 0.445 198 G N 1.038 109.775 108.800 -0.106 0.000 2.552 198 G HA2 0.427 4.387 3.960 -0.000 0.000 0.318 198 G HA3 0.427 4.387 3.960 -0.000 0.000 0.318 198 G C -0.680 174.109 174.900 -0.184 0.000 1.240 198 G CA -0.555 44.391 45.100 -0.257 0.000 1.002 198 G HN 0.458 nan 8.290 nan 0.000 0.493 199 Y N -1.193 119.113 120.300 0.010 0.000 2.578 199 Y HA 0.288 4.838 4.550 -0.000 0.000 0.339 199 Y C 1.162 177.106 175.900 0.073 0.000 1.231 199 Y CA -1.046 57.063 58.100 0.015 0.000 1.461 199 Y CB 0.433 38.938 38.460 0.074 0.000 1.323 199 Y HN 0.169 nan 8.280 nan 0.000 0.590 200 L N 2.121 123.508 121.223 0.272 0.000 2.650 200 L HA 0.116 4.456 4.340 -0.000 0.000 0.235 200 L C 0.456 177.578 176.870 0.419 0.000 1.149 200 L CA 0.737 55.740 54.840 0.271 0.000 0.887 200 L CB -0.548 41.629 42.059 0.195 0.000 1.021 200 L HN 0.847 nan 8.230 nan 0.000 0.441 201 S N -2.058 114.014 115.700 0.619 0.000 2.756 201 S HA 0.237 4.707 4.470 -0.000 0.000 0.295 201 S C -2.636 172.156 174.600 0.319 0.000 0.945 201 S CA -0.927 57.558 58.200 0.474 0.000 0.838 201 S CB 1.105 64.529 63.200 0.374 0.000 1.042 201 S HN -0.210 nan 8.310 nan 0.000 0.467 202 P HA 0.341 nan 4.420 nan 0.000 0.335 202 P C 0.302 177.439 177.300 -0.272 0.000 1.416 202 P CA 0.670 63.496 63.100 -0.457 0.000 0.828 202 P CB -0.016 31.385 31.700 -0.497 0.000 1.966 203 Y N -4.696 115.459 120.300 -0.242 0.000 2.742 203 Y HA -0.332 4.218 4.550 0.000 0.000 0.485 203 Y C 1.980 177.747 175.900 -0.223 0.000 1.119 203 Y CA 1.689 59.639 58.100 -0.250 0.000 2.917 203 Y CB -3.035 35.219 38.460 -0.345 0.000 0.951 203 Y HN 0.090 nan 8.280 nan 0.000 0.562 204 F N 0.730 120.692 119.950 0.020 0.000 2.184 204 F HA -0.163 4.364 4.527 -0.000 0.000 0.301 204 F C 1.549 177.308 175.800 -0.068 0.000 1.076 204 F CA 1.330 59.320 58.000 -0.016 0.000 1.295 204 F CB -0.801 38.188 39.000 -0.017 0.000 1.026 204 F HN 0.006 nan 8.300 nan 0.000 0.494 205 I N 1.938 122.512 120.570 0.007 0.000 2.948 205 I HA -0.214 3.956 4.170 -0.000 0.000 0.303 205 I C 0.591 176.703 176.117 -0.008 0.000 1.224 205 I CA 0.799 62.062 61.300 -0.063 0.000 1.442 205 I CB -0.009 37.884 38.000 -0.179 0.000 1.328 205 I HN 0.255 nan 8.210 nan 0.000 0.578 206 N N 2.796 121.498 118.700 0.004 0.000 2.036 206 N HA 0.075 4.815 4.740 -0.000 0.000 0.228 206 N C -0.256 175.256 175.510 0.004 0.000 1.368 206 N CA -0.329 52.728 53.050 0.011 0.000 0.846 206 N CB 0.527 39.031 38.487 0.028 0.000 1.145 206 N HN 0.394 nan 8.380 nan 0.000 0.502 207 K N 1.313 121.713 120.400 -0.000 0.000 3.206 207 K HA 0.295 4.615 4.320 -0.000 0.000 0.180 207 K C -2.076 174.521 176.600 -0.005 0.000 1.088 207 K CA -1.297 54.991 56.287 0.002 0.000 0.872 207 K CB 1.743 34.249 32.500 0.010 0.000 0.976 207 K HN 0.062 nan 8.250 nan 0.000 0.564 208 P HA -0.183 nan 4.420 nan 0.000 0.225 208 P C 0.424 177.715 177.300 -0.014 0.000 1.141 208 P CA 1.164 64.251 63.100 -0.023 0.000 0.774 208 P CB 0.486 32.169 31.700 -0.029 0.000 0.760 209 E N -0.161 120.035 120.200 -0.006 0.000 2.153 209 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 209 E C 1.816 178.417 176.600 0.001 0.000 0.988 209 E CA 2.000 58.398 56.400 -0.003 0.000 0.811 209 E CB -0.879 28.822 29.700 0.002 0.000 0.746 209 E HN 0.464 nan 8.360 nan 0.000 0.466 210 T N -5.112 109.447 114.554 0.008 0.000 2.975 210 T HA 0.368 4.718 4.350 -0.000 0.000 0.261 210 T C 1.307 176.022 174.700 0.024 0.000 0.984 210 T CA 0.015 62.126 62.100 0.018 0.000 0.911 210 T CB 0.728 69.618 68.868 0.035 0.000 1.127 210 T HN 0.198 nan 8.240 nan 0.000 0.514 211 G N 1.355 110.164 108.800 0.014 0.000 2.289 211 G HA2 0.228 4.188 3.960 -0.000 0.000 0.280 211 G HA3 0.228 4.188 3.960 -0.000 0.000 0.280 211 G C 0.064 175.001 174.900 0.062 0.000 1.089 211 G CA -0.053 45.058 45.100 0.017 0.000 0.939 211 G HN 1.262 nan 8.290 nan 0.000 0.499 212 A N -1.398 121.449 122.820 0.045 0.000 2.569 212 A HA 0.964 5.284 4.320 -0.000 0.000 0.290 212 A C 0.103 177.714 177.584 0.044 0.000 1.136 212 A CA -0.094 51.993 52.037 0.084 0.000 0.710 212 A CB 1.696 20.747 19.000 0.086 0.000 1.303 212 A HN 1.260 nan 8.150 nan 0.000 0.413 213 V N 0.026 119.982 119.914 0.069 0.000 3.262 213 V HA 0.716 4.836 4.120 -0.000 0.000 0.313 213 V C 0.125 176.239 176.094 0.034 0.000 1.070 213 V CA -0.271 62.060 62.300 0.051 0.000 1.049 213 V CB 1.541 33.403 31.823 0.064 0.000 1.157 213 V HN 0.969 nan 8.190 nan 0.000 0.454 214 E N 0.728 120.943 120.200 0.026 0.000 2.647 214 E HA 0.456 4.806 4.350 -0.000 0.000 0.320 214 E C -2.171 174.435 176.600 0.010 0.000 0.951 214 E CA -0.445 55.963 56.400 0.012 0.000 0.809 214 E CB 1.240 30.946 29.700 0.011 0.000 1.295 214 E HN 0.581 nan 8.360 nan 0.000 0.407 215 L N 2.906 124.130 121.223 0.000 0.000 2.408 215 L HA 0.546 4.886 4.340 -0.000 0.000 0.268 215 L C -0.379 176.480 176.870 -0.019 0.000 0.986 215 L CA -0.934 53.905 54.840 -0.003 0.000 0.820 215 L CB 2.140 44.199 42.059 0.000 0.000 1.303 215 L HN 0.478 nan 8.230 nan 0.000 0.411 216 E N 1.096 121.282 120.200 -0.024 0.000 2.174 216 E HA 0.236 4.586 4.350 -0.000 0.000 0.282 216 E C -0.096 176.463 176.600 -0.069 0.000 0.992 216 E CA -0.391 55.986 56.400 -0.039 0.000 0.803 216 E CB 1.340 31.022 29.700 -0.030 0.000 1.090 216 E HN 0.625 nan 8.360 nan 0.000 0.396 217 S N 2.380 118.029 115.700 -0.085 0.000 3.427 217 S HA -0.138 4.332 4.470 -0.000 0.000 0.373 217 S C -2.006 172.459 174.600 -0.225 0.000 0.973 217 S CA 0.321 58.437 58.200 -0.139 0.000 1.218 217 S CB -1.332 61.786 63.200 -0.136 0.000 0.912 217 S HN 0.508 nan 8.310 nan 0.000 0.483 218 P HA 0.435 nan 4.420 nan 0.000 0.277 218 P C -0.103 177.058 177.300 -0.232 0.000 1.276 218 P CA -0.475 62.528 63.100 -0.161 0.000 0.788 218 P CB 0.492 32.169 31.700 -0.038 0.000 1.114 219 F N -0.765 119.192 119.950 0.012 0.000 2.458 219 F HA 0.472 4.999 4.527 0.000 0.000 0.330 219 F C 0.595 176.404 175.800 0.014 0.000 1.082 219 F CA -0.645 57.362 58.000 0.013 0.000 0.995 219 F CB 1.032 40.039 39.000 0.012 0.000 1.170 219 F HN 0.025 nan 8.300 nan 0.000 0.478 220 I N 4.564 125.290 120.570 0.260 0.000 2.382 220 I HA 0.274 4.444 4.170 -0.000 0.000 0.286 220 I C -1.228 174.955 176.117 0.109 0.000 1.002 220 I CA -0.955 60.433 61.300 0.146 0.000 1.135 220 I CB 1.709 39.777 38.000 0.113 0.000 1.288 220 I HN 0.233 nan 8.210 nan 0.000 0.448 221 L N 8.300 129.567 121.223 0.074 0.000 2.255 221 L HA 0.459 4.799 4.340 -0.000 0.000 0.289 221 L C -0.841 176.045 176.870 0.027 0.000 1.046 221 L CA -0.034 54.828 54.840 0.037 0.000 0.816 221 L CB 0.600 42.673 42.059 0.023 0.000 1.197 221 L HN 0.475 nan 8.230 nan 0.000 0.427 222 L N 6.396 127.628 121.223 0.016 0.000 2.283 222 L HA 0.712 5.052 4.340 -0.000 0.000 0.281 222 L C -0.122 176.745 176.870 -0.006 0.000 1.033 222 L CA -0.426 54.415 54.840 0.002 0.000 0.848 222 L CB 1.003 43.060 42.059 -0.004 0.000 1.226 222 L HN 0.794 nan 8.230 nan 0.000 0.429 223 A N 1.960 124.777 122.820 -0.006 0.000 2.335 223 A HA 0.403 4.723 4.320 -0.000 0.000 0.304 223 A C -0.831 176.749 177.584 -0.008 0.000 1.118 223 A CA -0.589 51.444 52.037 -0.006 0.000 0.757 223 A CB 1.224 20.223 19.000 -0.001 0.000 1.188 223 A HN 0.645 nan 8.150 nan 0.000 0.460 224 D N 2.773 123.167 120.400 -0.011 0.000 2.453 224 D HA 0.465 5.105 4.640 -0.000 0.000 0.223 224 D C -0.071 176.228 176.300 -0.002 0.000 1.183 224 D CA 0.396 54.390 54.000 -0.010 0.000 0.933 224 D CB -0.410 40.380 40.800 -0.016 0.000 1.038 224 D HN 0.632 nan 8.370 nan 0.000 0.513 225 K N 0.645 121.048 120.400 0.004 0.000 3.076 225 K HA 0.200 4.520 4.320 -0.000 0.000 0.314 225 K C -1.234 175.375 176.600 0.015 0.000 1.113 225 K CA -1.162 55.130 56.287 0.010 0.000 0.860 225 K CB 0.358 32.863 32.500 0.007 0.000 1.435 225 K HN -0.047 nan 8.250 nan 0.000 0.374 226 K N 0.829 121.241 120.400 0.019 0.000 2.118 226 K HA 0.519 4.839 4.320 -0.000 0.000 0.264 226 K C -0.531 176.083 176.600 0.023 0.000 1.000 226 K CA -0.574 55.728 56.287 0.024 0.000 0.929 226 K CB 0.761 33.276 32.500 0.025 0.000 1.021 226 K HN 0.409 nan 8.250 nan 0.000 0.463 227 I N 1.446 122.033 120.570 0.028 0.000 2.500 227 I HA 0.074 4.244 4.170 -0.000 0.000 0.286 227 I C -0.118 176.020 176.117 0.034 0.000 1.063 227 I CA -0.119 61.198 61.300 0.028 0.000 1.062 227 I CB 2.051 40.068 38.000 0.029 0.000 1.223 227 I HN 0.593 nan 8.210 nan 0.000 0.435 228 S N 3.330 119.047 115.700 0.029 0.000 2.687 228 S HA 0.271 4.741 4.470 -0.000 0.000 0.247 228 S C 0.240 174.855 174.600 0.025 0.000 1.050 228 S CA -0.302 57.916 58.200 0.030 0.000 1.063 228 S CB 0.249 63.464 63.200 0.026 0.000 1.039 228 S HN 0.558 nan 8.310 nan 0.000 0.580 229 N N 1.695 120.408 118.700 0.021 0.000 2.483 229 N HA 0.360 5.100 4.740 -0.000 0.000 0.267 229 N C 0.302 175.822 175.510 0.017 0.000 0.998 229 N CA -0.209 52.852 53.050 0.017 0.000 0.918 229 N CB 1.757 40.251 38.487 0.013 0.000 1.215 229 N HN 0.121 nan 8.380 nan 0.000 0.500 230 I N 2.106 122.687 120.570 0.018 0.000 2.530 230 I HA -0.227 3.943 4.170 -0.000 0.000 0.257 230 I C 2.272 178.396 176.117 0.012 0.000 1.179 230 I CA 1.176 62.487 61.300 0.018 0.000 1.440 230 I CB 0.190 38.201 38.000 0.018 0.000 1.087 230 I HN 0.452 nan 8.210 nan 0.000 0.440 231 R N 1.125 121.631 120.500 0.009 0.000 2.316 231 R HA -0.194 4.146 4.340 -0.000 0.000 0.232 231 R C 1.345 177.647 176.300 0.004 0.000 1.137 231 R CA 1.615 57.718 56.100 0.005 0.000 1.012 231 R CB -0.115 30.188 30.300 0.004 0.000 0.859 231 R HN 0.569 nan 8.270 nan 0.000 0.474 232 E N -1.007 119.196 120.200 0.005 0.000 2.476 232 E HA 0.016 4.366 4.350 -0.000 0.000 0.199 232 E C 1.334 177.935 176.600 0.001 0.000 1.021 232 E CA -0.028 56.373 56.400 0.003 0.000 0.907 232 E CB 0.414 30.117 29.700 0.005 0.000 0.974 232 E HN 0.281 nan 8.360 nan 0.000 0.489 233 M N 0.094 119.696 119.600 0.004 0.000 2.552 233 M HA 0.092 4.572 4.480 -0.000 0.000 0.264 233 M C 2.155 178.454 176.300 -0.002 0.000 1.159 233 M CA 0.676 55.978 55.300 0.003 0.000 1.176 233 M CB -0.588 32.020 32.600 0.013 0.000 1.327 233 M HN 0.126 nan 8.290 nan 0.000 0.481 234 L N 1.118 122.341 121.223 0.000 0.000 2.040 234 L HA -0.274 4.066 4.340 -0.000 0.000 0.228 234 L C -0.169 176.695 176.870 -0.009 0.000 1.092 234 L CA 2.124 56.963 54.840 -0.002 0.000 0.805 234 L CB -2.795 39.263 42.059 -0.002 0.000 0.905 234 L HN 0.189 nan 8.230 nan 0.000 0.443 235 P HA -0.144 nan 4.420 nan 0.000 0.214 235 P C 1.249 178.531 177.300 -0.030 0.000 1.163 235 P CA 1.751 64.840 63.100 -0.019 0.000 0.889 235 P CB -0.036 31.653 31.700 -0.019 0.000 0.790 236 V N -0.124 119.768 119.914 -0.035 0.000 3.110 236 V HA 0.176 4.296 4.120 -0.000 0.000 0.368 236 V C 1.837 177.900 176.094 -0.051 0.000 1.332 236 V CA 0.244 62.510 62.300 -0.057 0.000 1.287 236 V CB -0.309 31.475 31.823 -0.064 0.000 1.277 236 V HN 0.052 nan 8.190 nan 0.000 0.502 237 L N -1.123 120.083 121.223 -0.029 0.000 2.713 237 L HA 0.316 4.656 4.340 -0.000 0.000 0.223 237 L C 2.136 179.005 176.870 -0.003 0.000 1.040 237 L CA 0.656 55.490 54.840 -0.010 0.000 0.894 237 L CB 0.690 42.753 42.059 0.007 0.000 1.361 237 L HN 0.193 nan 8.230 nan 0.000 0.490 238 E N 0.560 120.757 120.200 -0.006 0.000 2.208 238 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 238 E C 1.792 178.388 176.600 -0.005 0.000 0.988 238 E CA 0.813 57.213 56.400 0.000 0.000 0.828 238 E CB 0.063 29.762 29.700 -0.001 0.000 0.763 238 E HN 0.545 nan 8.360 nan 0.000 0.478 239 A N 0.733 123.539 122.820 -0.024 0.000 2.239 239 A HA -0.013 4.307 4.320 -0.000 0.000 0.209 239 A C 1.979 179.537 177.584 -0.044 0.000 1.171 239 A CA 0.573 52.587 52.037 -0.038 0.000 0.768 239 A CB 0.142 19.103 19.000 -0.064 0.000 0.790 239 A HN 0.090 nan 8.150 nan 0.000 0.478 240 V N -1.593 118.307 119.914 -0.023 0.000 3.661 240 V HA 0.102 4.222 4.120 -0.000 0.000 0.271 240 V C 2.500 178.635 176.094 0.069 0.000 1.315 240 V CA 0.852 63.164 62.300 0.019 0.000 1.072 240 V CB 0.011 31.844 31.823 0.016 0.000 0.830 240 V HN 0.504 nan 8.190 nan 0.000 0.443 241 A N -0.041 122.805 122.820 0.043 0.000 2.014 241 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 241 A C 1.354 178.967 177.584 0.049 0.000 1.163 241 A CA 0.919 52.983 52.037 0.045 0.000 0.652 241 A CB -0.146 18.872 19.000 0.029 0.000 0.808 241 A HN 0.488 nan 8.150 nan 0.000 0.449 242 K N -1.862 118.565 120.400 0.045 0.000 2.168 242 K HA 0.441 4.761 4.320 -0.000 0.000 0.258 242 K C 0.987 177.637 176.600 0.083 0.000 1.010 242 K CA 0.332 56.648 56.287 0.048 0.000 0.929 242 K CB 0.563 33.082 32.500 0.032 0.000 0.998 242 K HN 0.597 nan 8.250 nan 0.000 0.479 243 A N 1.334 124.202 122.820 0.079 0.000 4.159 243 A HA -0.250 4.070 4.320 -0.000 0.000 0.263 243 A C 1.430 179.068 177.584 0.090 0.000 0.889 243 A CA 1.865 53.964 52.037 0.104 0.000 1.227 243 A CB -2.421 16.694 19.000 0.192 0.000 1.051 243 A HN 1.381 nan 8.150 nan 0.000 0.820 244 G N -1.196 107.655 108.800 0.085 0.000 2.216 244 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.269 244 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.269 244 G C 0.163 175.107 174.900 0.073 0.000 0.981 244 G CA 1.512 46.652 45.100 0.067 0.000 0.658 244 G HN 1.249 nan 8.290 nan 0.000 0.539 245 K N 2.147 122.610 120.400 0.105 0.000 2.382 245 K HA 0.233 4.553 4.320 -0.000 0.000 0.286 245 K C -1.776 174.900 176.600 0.125 0.000 1.062 245 K CA -0.973 55.344 56.287 0.051 0.000 1.000 245 K CB 0.717 33.168 32.500 -0.082 0.000 0.954 245 K HN 0.257 nan 8.250 nan 0.000 0.470 246 P HA -0.084 nan 4.420 nan 0.000 0.269 246 P C -0.796 176.584 177.300 0.133 0.000 1.211 246 P CA -0.258 62.892 63.100 0.084 0.000 0.781 246 P CB 0.576 32.302 31.700 0.044 0.000 0.877 247 L N 2.359 123.660 121.223 0.130 0.000 2.386 247 L HA 0.554 4.894 4.340 -0.000 0.000 0.271 247 L C -1.344 175.574 176.870 0.081 0.000 0.993 247 L CA -1.005 53.925 54.840 0.149 0.000 0.819 247 L CB 1.579 43.724 42.059 0.143 0.000 1.294 247 L HN 0.176 nan 8.230 nan 0.000 0.414 248 L N 6.011 127.283 121.223 0.082 0.000 2.305 248 L HA 0.620 4.960 4.340 -0.000 0.000 0.284 248 L C -1.124 175.773 176.870 0.045 0.000 1.013 248 L CA -0.203 54.659 54.840 0.038 0.000 0.819 248 L CB 1.117 43.204 42.059 0.046 0.000 1.227 248 L HN 0.439 nan 8.230 nan 0.000 0.417 249 I N 6.759 127.338 120.570 0.015 0.000 2.336 249 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 249 I C -0.171 175.963 176.117 0.029 0.000 0.991 249 I CA -0.312 61.002 61.300 0.024 0.000 1.227 249 I CB 1.249 39.260 38.000 0.017 0.000 1.366 249 I HN 0.550 nan 8.210 nan 0.000 0.466 250 I N 5.600 126.192 120.570 0.036 0.000 2.411 250 I HA 0.611 4.781 4.170 -0.000 0.000 0.284 250 I C 0.012 176.135 176.117 0.010 0.000 1.012 250 I CA -0.221 61.100 61.300 0.035 0.000 1.119 250 I CB 1.676 39.697 38.000 0.034 0.000 1.261 250 I HN 0.726 nan 8.210 nan 0.000 0.448 251 A N 4.492 127.320 122.820 0.014 0.000 2.569 251 A HA 0.404 4.724 4.320 -0.000 0.000 0.290 251 A C 0.721 178.313 177.584 0.013 0.000 1.136 251 A CA -0.564 51.478 52.037 0.009 0.000 0.710 251 A CB 1.469 20.479 19.000 0.017 0.000 1.303 251 A HN 0.748 nan 8.150 nan 0.000 0.413 252 E N -0.489 119.719 120.200 0.013 0.000 2.219 252 E HA -0.167 4.183 4.350 -0.000 0.000 0.198 252 E C -0.276 176.344 176.600 0.033 0.000 0.998 252 E CA 1.820 58.234 56.400 0.022 0.000 0.818 252 E CB 0.102 29.817 29.700 0.025 0.000 0.741 252 E HN 0.608 nan 8.360 nan 0.000 0.477 253 D N -2.316 118.104 120.400 0.034 0.000 3.020 253 D HA 0.056 4.696 4.640 -0.000 0.000 0.268 253 D C -1.999 174.328 176.300 0.045 0.000 1.078 253 D CA -0.405 53.621 54.000 0.043 0.000 0.725 253 D CB 1.138 41.963 40.800 0.042 0.000 1.639 253 D HN -0.121 nan 8.370 nan 0.000 0.455 254 V N 2.512 122.461 119.914 0.058 0.000 2.444 254 V HA 0.588 4.708 4.120 -0.000 0.000 0.294 254 V C -0.239 175.898 176.094 0.071 0.000 1.022 254 V CA -0.509 61.830 62.300 0.065 0.000 0.850 254 V CB 1.656 33.528 31.823 0.081 0.000 0.992 254 V HN 0.439 nan 8.190 nan 0.000 0.426 255 E N 2.420 122.655 120.200 0.058 0.000 2.277 255 E HA 0.638 4.988 4.350 -0.000 0.000 0.266 255 E C 0.897 177.525 176.600 0.047 0.000 0.901 255 E CA -0.154 56.278 56.400 0.053 0.000 0.782 255 E CB 2.232 31.957 29.700 0.041 0.000 1.228 255 E HN 0.803 nan 8.360 nan 0.000 0.424 256 G N 2.455 111.282 108.800 0.044 0.000 2.684 256 G HA2 -0.495 3.465 3.960 -0.000 0.000 0.358 256 G HA3 -0.495 3.465 3.960 -0.000 0.000 0.358 256 G C 1.221 176.138 174.900 0.028 0.000 1.164 256 G CA 1.082 46.202 45.100 0.033 0.000 0.935 256 G HN 0.703 nan 8.290 nan 0.000 0.574 257 E N 1.404 121.617 120.200 0.022 0.000 2.048 257 E HA -0.222 4.128 4.350 -0.000 0.000 0.202 257 E C 2.977 179.591 176.600 0.023 0.000 1.021 257 E CA 2.687 59.097 56.400 0.017 0.000 0.825 257 E CB -0.737 28.971 29.700 0.014 0.000 0.756 257 E HN 0.832 nan 8.360 nan 0.000 0.454 258 A N 1.307 124.146 122.820 0.033 0.000 1.845 258 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 258 A C 2.319 179.941 177.584 0.064 0.000 1.195 258 A CA 1.734 53.797 52.037 0.044 0.000 0.616 258 A CB -0.984 18.044 19.000 0.046 0.000 0.832 258 A HN 0.365 nan 8.150 nan 0.000 0.443 259 L N -0.061 121.209 121.223 0.077 0.000 1.971 259 L HA -0.158 4.182 4.340 -0.000 0.000 0.215 259 L C 2.695 179.610 176.870 0.075 0.000 1.072 259 L CA 2.695 57.603 54.840 0.114 0.000 0.758 259 L CB -1.049 41.081 42.059 0.117 0.000 0.889 259 L HN 0.386 nan 8.230 nan 0.000 0.433 260 A N -1.474 121.365 122.820 0.032 0.000 1.873 260 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 260 A C 2.279 179.840 177.584 -0.037 0.000 1.193 260 A CA 2.737 54.763 52.037 -0.019 0.000 0.629 260 A CB -1.497 17.491 19.000 -0.020 0.000 0.826 260 A HN 0.575 nan 8.150 nan 0.000 0.447 261 T N 0.409 114.958 114.554 -0.009 0.000 2.760 261 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 261 T C 1.703 176.399 174.700 -0.005 0.000 1.047 261 T CA 1.664 63.758 62.100 -0.010 0.000 1.139 261 T CB -0.396 68.476 68.868 0.008 0.000 0.855 261 T HN 0.401 nan 8.240 nan 0.000 0.471 262 L N 0.275 121.516 121.223 0.029 0.000 2.127 262 L HA 0.029 4.369 4.340 -0.000 0.000 0.203 262 L C 2.591 179.437 176.870 -0.041 0.000 1.080 262 L CA 0.566 55.449 54.840 0.071 0.000 0.768 262 L CB -0.586 41.603 42.059 0.215 0.000 0.924 262 L HN 0.110 nan 8.230 nan 0.000 0.444 263 V N -0.448 119.369 119.914 -0.160 0.000 2.688 263 V HA -0.225 3.895 4.120 -0.000 0.000 0.256 263 V C 2.365 178.254 176.094 -0.343 0.000 1.084 263 V CA 1.136 63.182 62.300 -0.424 0.000 1.103 263 V CB -0.434 31.155 31.823 -0.390 0.000 0.688 263 V HN 0.184 nan 8.190 nan 0.000 0.480 264 V N 0.631 120.418 119.914 -0.212 0.000 2.231 264 V HA -0.241 3.879 4.120 -0.000 0.000 0.240 264 V C 2.130 178.148 176.094 -0.127 0.000 1.039 264 V CA 2.437 64.631 62.300 -0.176 0.000 0.998 264 V CB -0.853 30.902 31.823 -0.114 0.000 0.639 264 V HN 0.595 nan 8.190 nan 0.000 0.451 265 N N 0.423 119.080 118.700 -0.072 0.000 2.247 265 N HA -0.235 4.505 4.740 -0.000 0.000 0.189 265 N C 1.740 177.233 175.510 -0.028 0.000 1.009 265 N CA 1.812 54.841 53.050 -0.034 0.000 0.872 265 N CB -0.244 38.244 38.487 0.002 0.000 0.980 265 N HN 0.734 nan 8.380 nan 0.000 0.436 266 T N -1.250 113.274 114.554 -0.049 0.000 2.881 266 T HA -0.067 4.283 4.350 -0.000 0.000 0.270 266 T C 1.717 176.397 174.700 -0.033 0.000 1.068 266 T CA 0.924 63.011 62.100 -0.021 0.000 1.131 266 T CB -0.058 68.783 68.868 -0.045 0.000 0.871 266 T HN 0.056 nan 8.240 nan 0.000 0.479 267 M N 0.386 119.944 119.600 -0.071 0.000 2.394 267 M HA 0.329 4.809 4.480 -0.000 0.000 0.266 267 M C 2.065 178.342 176.300 -0.039 0.000 1.098 267 M CA 0.797 56.064 55.300 -0.054 0.000 1.149 267 M CB -0.076 32.473 32.600 -0.085 0.000 1.369 267 M HN 0.025 nan 8.290 nan 0.000 0.450 268 R N 0.087 120.561 120.500 -0.043 0.000 2.346 268 R HA 0.218 4.558 4.340 -0.000 0.000 0.225 268 R C 1.227 177.518 176.300 -0.014 0.000 0.987 268 R CA 0.500 56.582 56.100 -0.030 0.000 1.106 268 R CB -0.605 29.674 30.300 -0.035 0.000 1.090 268 R HN 0.570 nan 8.270 nan 0.000 0.502 269 G N 1.744 110.540 108.800 -0.007 0.000 2.317 269 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.265 269 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.265 269 G C 0.541 175.449 174.900 0.012 0.000 0.983 269 G CA 0.568 45.672 45.100 0.005 0.000 0.641 269 G HN 0.434 nan 8.290 nan 0.000 0.556 270 I N 1.595 122.170 120.570 0.008 0.000 2.624 270 I HA 0.291 4.461 4.170 -0.000 0.000 0.307 270 I C 0.588 176.721 176.117 0.026 0.000 1.191 270 I CA 0.155 61.463 61.300 0.013 0.000 1.708 270 I CB -0.525 37.478 38.000 0.006 0.000 1.521 270 I HN 0.139 nan 8.210 nan 0.000 0.805 271 V N 4.494 124.429 119.914 0.035 0.000 3.379 271 V HA -0.207 3.913 4.120 -0.000 0.000 0.484 271 V C 0.140 176.275 176.094 0.069 0.000 0.682 271 V CA -0.187 62.145 62.300 0.053 0.000 2.029 271 V CB -0.754 31.101 31.823 0.055 0.000 2.475 271 V HN 0.942 nan 8.190 nan 0.000 0.502 272 K N 4.047 124.494 120.400 0.078 0.000 2.300 272 K HA 0.734 5.054 4.320 -0.000 0.000 0.264 272 K C -0.562 176.110 176.600 0.120 0.000 1.083 272 K CA -0.615 55.733 56.287 0.102 0.000 0.958 272 K CB 1.925 34.473 32.500 0.080 0.000 1.318 272 K HN 1.047 nan 8.250 nan 0.000 0.448 273 V N -0.917 119.095 119.914 0.165 0.000 2.823 273 V HA 0.931 5.051 4.120 -0.000 0.000 0.312 273 V C -0.689 175.478 176.094 0.121 0.000 1.072 273 V CA -0.973 61.405 62.300 0.130 0.000 0.937 273 V CB 1.534 33.427 31.823 0.117 0.000 1.013 273 V HN 0.796 nan 8.190 nan 0.000 0.430 274 A N 2.533 125.279 122.820 -0.124 0.000 2.435 274 A HA 1.065 5.385 4.320 -0.000 0.000 0.304 274 A C -0.252 177.069 177.584 -0.438 0.000 1.064 274 A CA -0.240 51.409 52.037 -0.647 0.000 0.727 274 A CB 1.814 20.534 19.000 -0.467 0.000 1.284 274 A HN 2.401 nan 8.150 nan 0.000 0.415 275 A N 0.659 123.137 122.820 -0.569 0.000 2.475 275 A HA 0.874 5.194 4.320 -0.000 0.000 0.301 275 A C -0.508 176.995 177.584 -0.135 0.000 1.059 275 A CA -0.067 51.844 52.037 -0.211 0.000 0.710 275 A CB 1.442 20.388 19.000 -0.090 0.000 1.288 275 A HN 2.313 nan 8.150 nan 0.000 0.408 276 V N -1.407 118.499 119.914 -0.013 0.000 3.159 276 V HA 0.624 4.744 4.120 -0.000 0.000 0.308 276 V C -0.442 175.703 176.094 0.085 0.000 1.190 276 V CA -1.280 61.049 62.300 0.049 0.000 1.037 276 V CB 1.528 33.398 31.823 0.079 0.000 1.060 276 V HN 0.879 nan 8.190 nan 0.000 0.437 277 K N 1.560 122.013 120.400 0.089 0.000 2.382 277 K HA 0.594 4.914 4.320 -0.000 0.000 0.275 277 K C 0.556 177.200 176.600 0.074 0.000 1.009 277 K CA 0.410 56.742 56.287 0.074 0.000 0.970 277 K CB 1.215 33.755 32.500 0.067 0.000 0.934 277 K HN 1.125 nan 8.250 nan 0.000 0.479 278 A N 4.831 127.658 122.820 0.011 0.000 2.448 278 A HA 0.175 4.495 4.320 -0.000 0.000 0.239 278 A C -2.071 175.464 177.584 -0.081 0.000 1.080 278 A CA -0.859 51.126 52.037 -0.085 0.000 0.779 278 A CB -0.347 18.607 19.000 -0.076 0.000 1.026 278 A HN 0.495 nan 8.150 nan 0.000 0.499 279 P HA 0.421 nan 4.420 nan 0.000 0.278 279 P C 0.691 177.982 177.300 -0.014 0.000 1.238 279 P CA 1.265 64.302 63.100 -0.104 0.000 0.794 279 P CB 0.876 32.413 31.700 -0.272 0.000 0.955 280 G N 2.247 111.094 108.800 0.078 0.000 2.601 280 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.261 280 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.261 280 G C -0.720 174.341 174.900 0.269 0.000 1.289 280 G CA 0.360 45.561 45.100 0.168 0.000 0.920 280 G HN 0.793 nan 8.290 nan 0.000 0.571 281 F N -2.666 117.284 119.950 -0.000 0.000 2.741 281 F HA 0.773 5.300 4.527 -0.000 0.000 0.313 281 F C 0.819 176.622 175.800 0.005 0.000 1.153 281 F CA 0.461 58.463 58.000 0.002 0.000 0.931 281 F CB 0.899 39.906 39.000 0.013 0.000 1.335 281 F HN 2.559 nan 8.300 nan 0.000 0.460 282 G N 1.437 110.134 108.800 -0.171 0.000 2.525 282 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.248 282 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.248 282 G C 0.049 174.835 174.900 -0.191 0.000 1.238 282 G CA 0.394 45.317 45.100 -0.295 0.000 0.926 282 G HN 0.909 nan 8.290 nan 0.000 0.574 283 D N 0.357 120.641 120.400 -0.193 0.000 2.183 283 D HA -0.013 4.627 4.640 -0.000 0.000 0.203 283 D C 2.573 178.795 176.300 -0.129 0.000 0.969 283 D CA 1.055 54.980 54.000 -0.124 0.000 0.842 283 D CB -0.130 40.610 40.800 -0.099 0.000 0.957 283 D HN 0.478 nan 8.370 nan 0.000 0.484 284 R N 0.706 121.099 120.500 -0.179 0.000 2.081 284 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 284 R C 2.389 178.619 176.300 -0.117 0.000 1.131 284 R CA 0.706 56.718 56.100 -0.147 0.000 0.960 284 R CB -0.173 30.024 30.300 -0.171 0.000 0.856 284 R HN 0.104 nan 8.270 nan 0.000 0.436 285 R N 1.734 122.165 120.500 -0.115 0.000 2.083 285 R HA -0.178 4.162 4.340 -0.000 0.000 0.237 285 R C 1.780 178.033 176.300 -0.078 0.000 1.137 285 R CA 1.791 57.846 56.100 -0.075 0.000 0.951 285 R CB -0.038 30.245 30.300 -0.027 0.000 0.851 285 R HN 0.142 nan 8.270 nan 0.000 0.434 286 K N -0.263 120.095 120.400 -0.071 0.000 2.103 286 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 286 K C 2.070 178.631 176.600 -0.064 0.000 1.048 286 K CA 1.528 57.779 56.287 -0.059 0.000 0.930 286 K CB -0.118 32.352 32.500 -0.051 0.000 0.716 286 K HN 0.244 nan 8.250 nan 0.000 0.444 287 A N 1.039 123.817 122.820 -0.071 0.000 1.897 287 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 287 A C 2.104 179.645 177.584 -0.073 0.000 1.181 287 A CA 1.160 53.157 52.037 -0.066 0.000 0.620 287 A CB -0.363 18.596 19.000 -0.067 0.000 0.821 287 A HN 0.143 nan 8.150 nan 0.000 0.443 288 M N -0.606 118.940 119.600 -0.090 0.000 2.159 288 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 288 M C 2.144 178.367 176.300 -0.129 0.000 1.063 288 M CA 1.194 56.429 55.300 -0.109 0.000 1.110 288 M CB -0.511 32.009 32.600 -0.133 0.000 1.374 288 M HN 0.384 nan 8.290 nan 0.000 0.411 289 L N 0.075 121.223 121.223 -0.125 0.000 2.043 289 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 289 L C 2.707 179.529 176.870 -0.080 0.000 1.075 289 L CA 1.483 56.252 54.840 -0.118 0.000 0.752 289 L CB -0.420 41.587 42.059 -0.087 0.000 0.891 289 L HN 0.340 nan 8.230 nan 0.000 0.432 290 Q N 0.377 120.139 119.800 -0.063 0.000 2.020 290 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 290 Q C 1.608 177.585 176.000 -0.038 0.000 0.982 290 Q CA 2.168 57.945 55.803 -0.043 0.000 0.838 290 Q CB -0.226 28.490 28.738 -0.038 0.000 0.899 290 Q HN 0.408 nan 8.270 nan 0.000 0.423 291 D N -0.086 120.286 120.400 -0.046 0.000 2.126 291 D HA -0.212 4.428 4.640 -0.000 0.000 0.190 291 D C 1.831 178.117 176.300 -0.024 0.000 1.001 291 D CA 1.872 55.852 54.000 -0.034 0.000 0.841 291 D CB -0.329 40.447 40.800 -0.040 0.000 0.949 291 D HN 0.346 nan 8.370 nan 0.000 0.446 292 I N 0.791 121.336 120.570 -0.042 0.000 2.118 292 I HA -0.347 3.823 4.170 -0.000 0.000 0.241 292 I C 2.476 178.595 176.117 0.003 0.000 1.070 292 I CA 1.325 62.615 61.300 -0.016 0.000 1.327 292 I CB -0.486 37.481 38.000 -0.055 0.000 1.034 292 I HN -0.005 nan 8.210 nan 0.000 0.405 293 A N 0.532 123.347 122.820 -0.008 0.000 1.873 293 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 293 A C 2.393 179.983 177.584 0.009 0.000 1.193 293 A CA 2.839 54.878 52.037 0.004 0.000 0.629 293 A CB -1.281 17.716 19.000 -0.005 0.000 0.826 293 A HN 0.427 nan 8.150 nan 0.000 0.447 294 T N 0.418 114.973 114.554 0.001 0.000 2.622 294 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 294 T C 1.857 176.563 174.700 0.011 0.000 1.047 294 T CA 1.408 63.511 62.100 0.004 0.000 1.159 294 T CB -0.438 68.428 68.868 -0.002 0.000 0.863 294 T HN 0.343 nan 8.240 nan 0.000 0.422 295 L N 1.879 123.110 121.223 0.012 0.000 2.129 295 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 295 L C 2.028 178.913 176.870 0.025 0.000 1.087 295 L CA 2.417 57.268 54.840 0.019 0.000 0.757 295 L CB -1.357 40.718 42.059 0.026 0.000 0.896 295 L HN 0.503 nan 8.230 nan 0.000 0.434 296 T N -3.116 111.456 114.554 0.031 0.000 3.134 296 T HA 0.424 4.774 4.350 -0.000 0.000 0.260 296 T C 0.887 175.612 174.700 0.042 0.000 1.027 296 T CA 0.177 62.300 62.100 0.038 0.000 0.913 296 T CB -0.254 68.645 68.868 0.053 0.000 1.046 296 T HN 0.637 nan 8.240 nan 0.000 0.553 297 G N -0.032 108.788 108.800 0.033 0.000 2.978 297 G HA2 0.384 4.344 3.960 -0.000 0.000 0.686 297 G HA3 0.384 4.344 3.960 -0.000 0.000 0.686 297 G C 0.224 175.150 174.900 0.044 0.000 1.288 297 G CA -0.456 44.665 45.100 0.034 0.000 1.026 297 G HN 1.956 nan 8.290 nan 0.000 0.587 298 G N -0.035 108.785 108.800 0.034 0.000 2.462 298 G HA2 0.587 4.547 3.960 -0.000 0.000 0.685 298 G HA3 0.587 4.547 3.960 -0.000 0.000 0.685 298 G C -0.085 174.825 174.900 0.017 0.000 1.295 298 G CA 0.382 45.501 45.100 0.032 0.000 0.941 298 G HN 2.855 nan 8.290 nan 0.000 0.554 299 T N -2.681 111.878 114.554 0.009 0.000 2.907 299 T HA 0.865 5.215 4.350 -0.000 0.000 0.290 299 T C 0.334 175.031 174.700 -0.004 0.000 1.066 299 T CA -0.191 61.909 62.100 0.000 0.000 1.012 299 T CB 1.516 70.382 68.868 -0.003 0.000 1.184 299 T HN 2.070 nan 8.240 nan 0.000 0.522 300 V N -0.691 119.218 119.914 -0.009 0.000 2.686 300 V HA 0.629 4.749 4.120 -0.000 0.000 0.295 300 V C -0.207 175.879 176.094 -0.012 0.000 1.057 300 V CA -0.935 61.357 62.300 -0.013 0.000 1.012 300 V CB 0.389 32.200 31.823 -0.019 0.000 1.006 300 V HN 0.874 nan 8.190 nan 0.000 0.477 301 I N 4.388 124.951 120.570 -0.012 0.000 2.412 301 I HA 0.347 4.517 4.170 -0.000 0.000 0.279 301 I C 0.267 176.378 176.117 -0.010 0.000 1.063 301 I CA -0.053 61.240 61.300 -0.011 0.000 1.193 301 I CB 1.156 39.150 38.000 -0.011 0.000 1.370 301 I HN 0.859 nan 8.210 nan 0.000 0.479 302 S N 2.632 118.325 115.700 -0.011 0.000 2.451 302 S HA 0.363 4.833 4.470 -0.000 0.000 0.301 302 S C 0.718 175.313 174.600 -0.007 0.000 1.116 302 S CA -0.774 57.421 58.200 -0.010 0.000 1.093 302 S CB 1.827 65.020 63.200 -0.012 0.000 1.017 302 S HN 0.583 nan 8.310 nan 0.000 0.482 303 E N 2.179 122.377 120.200 -0.005 0.000 2.171 303 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 303 E C 1.362 177.960 176.600 -0.004 0.000 0.997 303 E CA 1.554 57.952 56.400 -0.003 0.000 0.810 303 E CB -0.237 29.462 29.700 -0.001 0.000 0.738 303 E HN 0.843 nan 8.360 nan 0.000 0.467 304 E N 0.171 120.368 120.200 -0.005 0.000 2.301 304 E HA -0.197 4.153 4.350 -0.000 0.000 0.202 304 E C 0.764 177.360 176.600 -0.006 0.000 1.017 304 E CA 0.802 57.198 56.400 -0.006 0.000 0.831 304 E CB -0.111 29.584 29.700 -0.008 0.000 0.742 304 E HN 0.402 nan 8.360 nan 0.000 0.491 305 I N -0.568 119.998 120.570 -0.007 0.000 2.979 305 I HA 0.208 4.378 4.170 -0.000 0.000 0.337 305 I C 0.762 176.875 176.117 -0.006 0.000 1.453 305 I CA -0.295 61.001 61.300 -0.007 0.000 0.891 305 I CB 0.894 38.890 38.000 -0.008 0.000 1.887 305 I HN 0.049 nan 8.210 nan 0.000 0.546 306 G N 1.950 110.747 108.800 -0.005 0.000 2.200 306 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.268 306 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.268 306 G C 0.432 175.329 174.900 -0.005 0.000 0.986 306 G CA 0.414 45.511 45.100 -0.005 0.000 0.677 306 G HN 0.461 nan 8.290 nan 0.000 0.532 307 M N 0.445 120.041 119.600 -0.006 0.000 2.217 307 M HA 0.396 4.876 4.480 -0.000 0.000 0.354 307 M C 0.429 176.725 176.300 -0.007 0.000 1.225 307 M CA 0.569 55.864 55.300 -0.008 0.000 1.137 307 M CB 0.714 33.308 32.600 -0.009 0.000 1.576 307 M HN 0.231 nan 8.290 nan 0.000 0.461 308 E N 2.237 122.432 120.200 -0.008 0.000 2.277 308 E HA 0.299 4.649 4.350 -0.000 0.000 0.266 308 E C -0.100 176.494 176.600 -0.010 0.000 0.901 308 E CA -0.649 55.746 56.400 -0.007 0.000 0.782 308 E CB 2.023 31.720 29.700 -0.006 0.000 1.228 308 E HN 0.660 nan 8.360 nan 0.000 0.424 309 L N 1.848 123.066 121.223 -0.009 0.000 2.749 309 L HA -0.119 4.221 4.340 -0.000 0.000 0.245 309 L C 1.028 177.889 176.870 -0.015 0.000 1.156 309 L CA 0.700 55.533 54.840 -0.012 0.000 0.890 309 L CB -0.346 41.709 42.059 -0.007 0.000 1.036 309 L HN 0.486 nan 8.230 nan 0.000 0.441 310 E N -0.080 120.112 120.200 -0.013 0.000 2.256 310 E HA 0.008 4.358 4.350 -0.000 0.000 0.198 310 E C 1.030 177.619 176.600 -0.017 0.000 0.908 310 E CA 0.549 56.941 56.400 -0.015 0.000 0.915 310 E CB 0.207 29.901 29.700 -0.010 0.000 0.890 310 E HN 0.187 nan 8.360 nan 0.000 0.484 311 K N 0.928 121.318 120.400 -0.015 0.000 3.025 311 K HA 0.337 4.657 4.320 -0.000 0.000 0.260 311 K C -0.434 176.154 176.600 -0.020 0.000 1.023 311 K CA -0.005 56.273 56.287 -0.016 0.000 1.194 311 K CB 0.305 32.797 32.500 -0.012 0.000 1.094 311 K HN -0.047 nan 8.250 nan 0.000 0.460 312 A N 1.327 124.131 122.820 -0.026 0.000 2.310 312 A HA 0.288 4.608 4.320 -0.000 0.000 0.304 312 A C 0.558 178.114 177.584 -0.047 0.000 1.231 312 A CA -0.778 51.239 52.037 -0.034 0.000 0.799 312 A CB 0.437 19.416 19.000 -0.036 0.000 1.162 312 A HN 0.308 nan 8.150 nan 0.000 0.486 313 T N 0.440 114.966 114.554 -0.047 0.000 3.332 313 T HA 0.342 4.692 4.350 -0.000 0.000 0.367 313 T C 1.165 175.811 174.700 -0.091 0.000 1.244 313 T CA 0.217 62.283 62.100 -0.057 0.000 0.977 313 T CB -0.080 68.764 68.868 -0.040 0.000 1.784 313 T HN 0.308 nan 8.240 nan 0.000 0.553 314 L N -0.294 120.870 121.223 -0.099 0.000 2.463 314 L HA 0.288 4.628 4.340 -0.000 0.000 0.219 314 L C 2.742 179.539 176.870 -0.121 0.000 1.088 314 L CA 0.583 55.323 54.840 -0.167 0.000 0.849 314 L CB -0.312 41.655 42.059 -0.154 0.000 1.012 314 L HN 0.633 nan 8.230 nan 0.000 0.468 315 E N 0.393 120.563 120.200 -0.050 0.000 2.299 315 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 315 E C 1.491 178.086 176.600 -0.009 0.000 0.998 315 E CA 0.779 57.174 56.400 -0.008 0.000 0.851 315 E CB 0.066 29.769 29.700 0.005 0.000 0.795 315 E HN 0.273 nan 8.360 nan 0.000 0.492 316 D N -0.026 120.356 120.400 -0.030 0.000 2.218 316 D HA -0.107 4.533 4.640 -0.000 0.000 0.204 316 D C 0.420 176.710 176.300 -0.018 0.000 0.976 316 D CA 0.343 54.330 54.000 -0.022 0.000 0.853 316 D CB -0.049 40.733 40.800 -0.030 0.000 0.939 316 D HN 0.194 nan 8.370 nan 0.000 0.481 317 L N 0.617 121.815 121.223 -0.041 0.000 2.452 317 L HA 0.350 4.690 4.340 -0.000 0.000 0.267 317 L C 0.984 177.899 176.870 0.075 0.000 1.188 317 L CA 0.038 54.863 54.840 -0.025 0.000 0.821 317 L CB 1.101 43.060 42.059 -0.167 0.000 1.102 317 L HN -0.104 nan 8.230 nan 0.000 0.470 318 G N 2.072 110.941 108.800 0.115 0.000 2.528 318 G HA2 0.499 4.459 3.960 -0.000 0.000 0.289 318 G HA3 0.499 4.459 3.960 -0.000 0.000 0.289 318 G C -1.284 173.761 174.900 0.242 0.000 1.192 318 G CA -0.267 44.918 45.100 0.141 0.000 0.921 318 G HN 0.708 nan 8.290 nan 0.000 0.512 319 Q N -0.924 118.965 119.800 0.149 0.000 2.378 319 Q HA 0.550 4.890 4.340 -0.000 0.000 0.262 319 Q C -1.319 174.685 176.000 0.007 0.000 0.978 319 Q CA -0.739 55.109 55.803 0.075 0.000 0.918 319 Q CB 1.856 30.631 28.738 0.062 0.000 1.415 319 Q HN 0.968 nan 8.270 nan 0.000 0.409 320 A N 2.689 125.490 122.820 -0.032 0.000 2.532 320 A HA 0.483 4.803 4.320 -0.000 0.000 0.290 320 A C -0.463 177.086 177.584 -0.058 0.000 1.143 320 A CA -0.620 51.401 52.037 -0.027 0.000 0.728 320 A CB 1.796 20.796 19.000 0.000 0.000 1.317 320 A HN 0.810 nan 8.150 nan 0.000 0.414 321 K N -0.677 119.697 120.400 -0.043 0.000 2.486 321 K HA 0.118 4.438 4.320 -0.000 0.000 0.194 321 K C 0.374 176.947 176.600 -0.046 0.000 1.033 321 K CA 0.844 57.100 56.287 -0.051 0.000 1.004 321 K CB 0.026 32.504 32.500 -0.037 0.000 0.798 321 K HN 0.568 nan 8.250 nan 0.000 0.495 322 R N -0.385 120.093 120.500 -0.036 0.000 3.964 322 R HA 0.067 4.407 4.340 -0.000 0.000 0.244 322 R C -1.885 174.401 176.300 -0.024 0.000 1.004 322 R CA -0.531 55.551 56.100 -0.031 0.000 1.148 322 R CB 0.879 31.163 30.300 -0.027 0.000 1.234 322 R HN -0.025 nan 8.270 nan 0.000 0.567 323 V N 0.391 120.291 119.914 -0.023 0.000 3.001 323 V HA 0.945 5.065 4.120 -0.000 0.000 0.314 323 V C -1.265 174.811 176.094 -0.030 0.000 1.099 323 V CA -0.630 61.654 62.300 -0.028 0.000 0.989 323 V CB 2.382 34.194 31.823 -0.020 0.000 1.040 323 V HN 0.434 nan 8.190 nan 0.000 0.434 324 V N 3.850 123.736 119.914 -0.046 0.000 2.577 324 V HA 0.499 4.619 4.120 -0.000 0.000 0.294 324 V C -0.950 175.116 176.094 -0.046 0.000 1.052 324 V CA -0.081 62.199 62.300 -0.032 0.000 0.891 324 V CB 1.364 33.169 31.823 -0.029 0.000 1.017 324 V HN 0.830 nan 8.190 nan 0.000 0.436 325 I N 5.582 126.151 120.570 -0.002 0.000 2.359 325 I HA 0.525 4.695 4.170 -0.000 0.000 0.294 325 I C 0.420 176.609 176.117 0.120 0.000 0.987 325 I CA 0.174 61.489 61.300 0.024 0.000 1.225 325 I CB 1.450 39.493 38.000 0.073 0.000 1.366 325 I HN 0.557 nan 8.210 nan 0.000 0.466 326 N N 4.425 123.157 118.700 0.053 0.000 2.813 326 N HA 0.287 5.027 4.740 -0.000 0.000 0.320 326 N C 0.807 176.241 175.510 -0.126 0.000 1.315 326 N CA -0.745 52.353 53.050 0.079 0.000 0.871 326 N CB 0.629 39.123 38.487 0.012 0.000 1.241 326 N HN 0.446 nan 8.380 nan 0.000 0.602 327 K N -0.006 120.288 120.400 -0.177 0.000 2.280 327 K HA -0.135 4.185 4.320 -0.000 0.000 0.202 327 K C -0.592 175.719 176.600 -0.482 0.000 1.047 327 K CA 1.730 57.679 56.287 -0.563 0.000 0.942 327 K CB 0.005 32.405 32.500 -0.166 0.000 0.739 327 K HN 0.601 nan 8.250 nan 0.000 0.457 328 D N -1.389 118.858 120.400 -0.255 0.000 2.783 328 D HA 0.095 4.735 4.640 -0.000 0.000 0.306 328 D C -1.060 175.172 176.300 -0.113 0.000 1.633 328 D CA -0.464 53.436 54.000 -0.166 0.000 0.796 328 D CB 0.782 41.521 40.800 -0.101 0.000 1.230 328 D HN -0.153 nan 8.370 nan 0.000 0.441 329 T N -0.007 114.465 114.554 -0.137 0.000 3.237 329 T HA 0.497 4.847 4.350 -0.000 0.000 0.319 329 T C -0.945 173.617 174.700 -0.230 0.000 1.037 329 T CA -0.453 61.557 62.100 -0.151 0.000 1.048 329 T CB 1.991 70.800 68.868 -0.099 0.000 1.081 329 T HN -0.092 nan 8.240 nan 0.000 0.455 330 T N 2.556 116.843 114.554 -0.445 0.000 2.824 330 T HA 0.713 5.063 4.350 -0.000 0.000 0.280 330 T C -0.137 174.165 174.700 -0.663 0.000 0.995 330 T CA -0.610 61.130 62.100 -0.599 0.000 1.009 330 T CB 1.497 69.777 68.868 -0.979 0.000 0.955 330 T HN 0.665 nan 8.240 nan 0.000 0.452 331 T N 3.053 117.388 114.554 -0.366 0.000 2.949 331 T HA 0.564 4.914 4.350 -0.000 0.000 0.300 331 T C -0.664 173.962 174.700 -0.122 0.000 0.988 331 T CA -0.721 61.241 62.100 -0.231 0.000 0.993 331 T CB 0.071 68.854 68.868 -0.143 0.000 0.984 331 T HN 0.487 nan 8.240 nan 0.000 0.442 332 I N 5.919 126.453 120.570 -0.059 0.000 2.325 332 I HA 0.410 4.580 4.170 -0.000 0.000 0.291 332 I C -0.050 176.066 176.117 -0.003 0.000 1.019 332 I CA -0.764 60.535 61.300 -0.001 0.000 1.302 332 I CB 1.060 39.100 38.000 0.066 0.000 1.401 332 I HN 0.575 nan 8.210 nan 0.000 0.485 333 I N 5.980 126.544 120.570 -0.011 0.000 2.362 333 I HA 0.279 4.449 4.170 -0.000 0.000 0.289 333 I C -0.592 175.519 176.117 -0.010 0.000 0.994 333 I CA -0.519 60.774 61.300 -0.012 0.000 1.158 333 I CB 1.208 39.196 38.000 -0.020 0.000 1.315 333 I HN 0.572 nan 8.210 nan 0.000 0.451 334 D N 4.908 125.304 120.400 -0.006 0.000 4.847 334 D HA -0.105 4.535 4.640 -0.000 0.000 0.237 334 D C -0.239 176.059 176.300 -0.003 0.000 1.164 334 D CA 0.840 54.837 54.000 -0.006 0.000 1.196 334 D CB 0.107 40.899 40.800 -0.013 0.000 0.717 334 D HN 0.855 nan 8.370 nan 0.000 0.348 335 G N 1.785 110.587 108.800 0.004 0.000 2.356 335 G HA2 0.483 4.443 3.960 -0.000 0.000 0.322 335 G HA3 0.483 4.443 3.960 -0.000 0.000 0.322 335 G C 1.324 176.228 174.900 0.006 0.000 1.125 335 G CA -0.449 44.657 45.100 0.010 0.000 0.885 335 G HN 0.352 nan 8.290 nan 0.000 0.467 336 V N 2.543 122.462 119.914 0.008 0.000 2.720 336 V HA -0.036 4.084 4.120 -0.000 0.000 0.256 336 V C 2.274 178.376 176.094 0.013 0.000 1.082 336 V CA 1.254 63.559 62.300 0.008 0.000 1.101 336 V CB -1.180 30.652 31.823 0.015 0.000 0.693 336 V HN 0.860 nan 8.190 nan 0.000 0.479 337 G N 1.204 110.014 108.800 0.017 0.000 2.341 337 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.231 337 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.231 337 G C -0.027 174.880 174.900 0.011 0.000 1.206 337 G CA -0.211 44.898 45.100 0.015 0.000 0.865 337 G HN 0.355 nan 8.290 nan 0.000 0.515 338 E N 1.970 122.176 120.200 0.010 0.000 2.328 338 E HA -0.010 4.340 4.350 -0.000 0.000 0.265 338 E C 1.511 178.114 176.600 0.005 0.000 1.057 338 E CA -0.083 56.321 56.400 0.007 0.000 0.916 338 E CB 0.669 30.373 29.700 0.006 0.000 0.993 338 E HN 0.689 nan 8.360 nan 0.000 0.446 339 E N 1.967 122.170 120.200 0.004 0.000 2.501 339 E HA -0.174 4.176 4.350 -0.000 0.000 0.203 339 E C 1.011 177.611 176.600 0.002 0.000 1.072 339 E CA 0.787 57.189 56.400 0.002 0.000 0.885 339 E CB -0.015 29.686 29.700 0.001 0.000 0.813 339 E HN 0.431 nan 8.360 nan 0.000 0.556 340 A N 0.955 123.776 122.820 0.002 0.000 2.055 340 A HA 0.450 4.770 4.320 -0.000 0.000 0.205 340 A C 2.305 179.889 177.584 0.001 0.000 1.235 340 A CA 0.640 52.677 52.037 0.001 0.000 0.822 340 A CB 0.030 19.031 19.000 0.001 0.000 0.903 340 A HN 0.261 nan 8.150 nan 0.000 0.473 341 A N 0.251 123.072 122.820 0.002 0.000 1.897 341 A HA 0.069 4.389 4.320 -0.000 0.000 0.215 341 A C 1.998 179.582 177.584 -0.000 0.000 1.181 341 A CA 1.249 53.286 52.037 0.001 0.000 0.620 341 A CB -0.556 18.445 19.000 0.002 0.000 0.821 341 A HN 0.421 nan 8.150 nan 0.000 0.443 342 I N -0.584 119.986 120.570 0.001 0.000 2.286 342 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 342 I C 2.671 178.787 176.117 -0.001 0.000 1.115 342 I CA 1.675 62.975 61.300 0.001 0.000 1.392 342 I CB -0.181 37.821 38.000 0.003 0.000 1.065 342 I HN 0.354 nan 8.210 nan 0.000 0.418 343 Q N 1.141 120.940 119.800 -0.001 0.000 2.291 343 Q HA -0.106 4.234 4.340 -0.000 0.000 0.205 343 Q C 1.940 177.938 176.000 -0.004 0.000 0.970 343 Q CA 1.700 57.501 55.803 -0.002 0.000 0.876 343 Q CB -0.443 28.294 28.738 -0.002 0.000 0.935 343 Q HN 0.478 nan 8.270 nan 0.000 0.455 344 G N -0.573 108.224 108.800 -0.004 0.000 2.494 344 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 344 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 344 G C 1.536 176.432 174.900 -0.007 0.000 1.140 344 G CA 0.464 45.562 45.100 -0.005 0.000 0.801 344 G HN 0.296 nan 8.290 nan 0.000 0.536 345 R N 0.574 121.069 120.500 -0.007 0.000 2.073 345 R HA 0.030 4.370 4.340 -0.000 0.000 0.229 345 R C 2.373 178.666 176.300 -0.012 0.000 1.120 345 R CA 1.324 57.418 56.100 -0.010 0.000 0.967 345 R CB -0.844 29.450 30.300 -0.010 0.000 0.862 345 R HN 0.148 nan 8.270 nan 0.000 0.436 346 V N 1.239 121.147 119.914 -0.010 0.000 2.720 346 V HA -0.143 3.977 4.120 -0.000 0.000 0.256 346 V C 2.291 178.379 176.094 -0.011 0.000 1.082 346 V CA 1.532 63.826 62.300 -0.010 0.000 1.101 346 V CB -0.919 30.899 31.823 -0.008 0.000 0.693 346 V HN 0.510 nan 8.190 nan 0.000 0.479 347 A N -0.264 122.550 122.820 -0.009 0.000 1.858 347 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 347 A C 2.219 179.796 177.584 -0.011 0.000 1.190 347 A CA 1.894 53.926 52.037 -0.009 0.000 0.617 347 A CB -0.468 18.528 19.000 -0.008 0.000 0.827 347 A HN 0.571 nan 8.150 nan 0.000 0.443 348 Q N -0.452 119.340 119.800 -0.012 0.000 2.002 348 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 348 Q C 2.086 178.076 176.000 -0.017 0.000 0.988 348 Q CA 1.765 57.559 55.803 -0.014 0.000 0.843 348 Q CB -0.444 28.285 28.738 -0.016 0.000 0.908 348 Q HN 0.726 nan 8.270 nan 0.000 0.420 349 I N 0.351 120.909 120.570 -0.020 0.000 2.399 349 I HA -0.313 3.857 4.170 -0.000 0.000 0.254 349 I C 2.287 178.391 176.117 -0.022 0.000 1.146 349 I CA 1.268 62.554 61.300 -0.024 0.000 1.412 349 I CB -0.254 37.731 38.000 -0.025 0.000 1.076 349 I HN 0.176 nan 8.210 nan 0.000 0.432 350 R N -0.174 120.316 120.500 -0.017 0.000 2.173 350 R HA 0.001 4.341 4.340 -0.000 0.000 0.208 350 R C 1.895 178.187 176.300 -0.014 0.000 1.035 350 R CA 0.411 56.501 56.100 -0.015 0.000 1.004 350 R CB 0.082 30.375 30.300 -0.012 0.000 0.917 350 R HN 0.294 nan 8.270 nan 0.000 0.462 351 Q N 0.175 119.967 119.800 -0.013 0.000 2.403 351 Q HA -0.005 4.335 4.340 -0.000 0.000 0.203 351 Q C 0.937 176.929 176.000 -0.013 0.000 0.932 351 Q CA 0.743 56.539 55.803 -0.012 0.000 0.945 351 Q CB 0.896 29.628 28.738 -0.010 0.000 1.045 351 Q HN 0.432 nan 8.270 nan 0.000 0.511 352 Q N -0.724 119.065 119.800 -0.017 0.000 2.352 352 Q HA 0.186 4.526 4.340 -0.000 0.000 0.212 352 Q C 1.487 177.475 176.000 -0.020 0.000 0.888 352 Q CA 0.054 55.846 55.803 -0.019 0.000 0.934 352 Q CB 0.704 29.427 28.738 -0.025 0.000 1.093 352 Q HN 0.331 nan 8.270 nan 0.000 0.523 353 I N 0.291 120.849 120.570 -0.019 0.000 3.228 353 I HA -0.058 4.112 4.170 -0.000 0.000 0.279 353 I C 1.262 177.372 176.117 -0.012 0.000 1.221 353 I CA 0.390 61.679 61.300 -0.018 0.000 1.458 353 I CB 0.263 38.251 38.000 -0.019 0.000 1.105 353 I HN -0.007 nan 8.210 nan 0.000 0.445 354 E N 1.632 121.826 120.200 -0.011 0.000 2.494 354 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 354 E C 0.326 176.922 176.600 -0.006 0.000 1.074 354 E CA 0.495 56.891 56.400 -0.008 0.000 0.867 354 E CB 0.035 29.731 29.700 -0.007 0.000 0.924 354 E HN 0.575 nan 8.360 nan 0.000 0.502 355 E N -0.262 119.934 120.200 -0.008 0.000 3.029 355 E HA 0.226 4.576 4.350 -0.000 0.000 0.196 355 E C -0.426 176.171 176.600 -0.006 0.000 0.973 355 E CA -0.196 56.200 56.400 -0.006 0.000 1.242 355 E CB 1.182 30.877 29.700 -0.008 0.000 1.056 355 E HN -0.003 nan 8.360 nan 0.000 0.469 356 A N 1.819 124.635 122.820 -0.005 0.000 2.906 356 A HA 0.085 4.405 4.320 -0.000 0.000 0.289 356 A C 1.258 178.845 177.584 0.005 0.000 1.675 356 A CA -0.213 51.822 52.037 -0.003 0.000 1.372 356 A CB -0.884 18.112 19.000 -0.007 0.000 1.091 356 A HN 0.201 nan 8.150 nan 0.000 0.579 357 T N -1.221 113.338 114.554 0.007 0.000 3.584 357 T HA 0.277 4.627 4.350 -0.000 0.000 0.252 357 T C 0.535 175.248 174.700 0.021 0.000 1.103 357 T CA 0.607 62.715 62.100 0.012 0.000 0.977 357 T CB -0.639 68.235 68.868 0.010 0.000 1.044 357 T HN 0.629 nan 8.240 nan 0.000 0.589 358 S N -1.239 114.477 115.700 0.027 0.000 2.727 358 S HA 0.343 4.813 4.470 -0.000 0.000 0.278 358 S C -0.440 174.189 174.600 0.047 0.000 1.186 358 S CA -0.478 57.749 58.200 0.045 0.000 0.836 358 S CB 1.583 64.826 63.200 0.071 0.000 1.186 358 S HN 0.212 nan 8.310 nan 0.000 0.499 359 D N -0.570 119.874 120.400 0.074 0.000 2.725 359 D HA -0.008 4.632 4.640 -0.000 0.000 0.269 359 D C 1.587 177.948 176.300 0.101 0.000 1.018 359 D CA 0.492 54.534 54.000 0.070 0.000 0.956 359 D CB -0.290 40.551 40.800 0.069 0.000 1.141 359 D HN 0.520 nan 8.370 nan 0.000 0.478 360 Y N 2.404 122.706 120.300 0.003 0.000 2.053 360 Y HA -0.256 4.294 4.550 -0.000 0.000 0.277 360 Y C 1.587 177.487 175.900 -0.000 0.000 1.159 360 Y CA 2.659 60.762 58.100 0.005 0.000 1.125 360 Y CB -0.686 37.778 38.460 0.007 0.000 0.969 360 Y HN -0.046 nan 8.280 nan 0.000 0.492 361 D N -0.559 119.849 120.400 0.014 0.000 2.228 361 D HA -0.204 4.436 4.640 -0.000 0.000 0.203 361 D C 2.260 178.492 176.300 -0.114 0.000 0.988 361 D CA 1.645 55.587 54.000 -0.097 0.000 0.864 361 D CB -0.229 40.573 40.800 0.003 0.000 0.928 361 D HN 0.374 nan 8.370 nan 0.000 0.469 362 R N 0.591 121.053 120.500 -0.064 0.000 2.057 362 R HA -0.077 4.263 4.340 -0.000 0.000 0.229 362 R C 1.910 178.163 176.300 -0.078 0.000 1.136 362 R CA 1.089 57.157 56.100 -0.053 0.000 0.952 362 R CB 0.057 30.345 30.300 -0.020 0.000 0.848 362 R HN 0.155 nan 8.270 nan 0.000 0.430 363 E N 0.390 120.540 120.200 -0.084 0.000 2.049 363 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 363 E C 1.951 178.474 176.600 -0.128 0.000 1.007 363 E CA 1.261 57.610 56.400 -0.085 0.000 0.809 363 E CB 0.038 29.702 29.700 -0.059 0.000 0.749 363 E HN 0.134 nan 8.360 nan 0.000 0.450 364 K N 0.471 120.728 120.400 -0.238 0.000 2.218 364 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 364 K C 2.092 178.603 176.600 -0.147 0.000 1.046 364 K CA 0.872 57.016 56.287 -0.238 0.000 0.933 364 K CB -0.189 32.068 32.500 -0.405 0.000 0.728 364 K HN 0.243 nan 8.250 nan 0.000 0.454 365 L N 0.249 121.397 121.223 -0.124 0.000 2.102 365 L HA -0.077 4.263 4.340 -0.000 0.000 0.202 365 L C 2.108 178.943 176.870 -0.058 0.000 1.076 365 L CA 0.774 55.564 54.840 -0.083 0.000 0.761 365 L CB -0.259 41.758 42.059 -0.071 0.000 0.921 365 L HN 0.145 nan 8.230 nan 0.000 0.444 366 Q N -0.211 119.557 119.800 -0.052 0.000 2.515 366 Q HA -0.175 4.165 4.340 -0.000 0.000 0.214 366 Q C 1.472 177.453 176.000 -0.031 0.000 0.971 366 Q CA 0.471 56.253 55.803 -0.035 0.000 0.952 366 Q CB 0.219 28.941 28.738 -0.027 0.000 0.999 366 Q HN 0.472 nan 8.270 nan 0.000 0.524 367 E N 0.492 120.667 120.200 -0.041 0.000 2.307 367 E HA -0.028 4.322 4.350 -0.000 0.000 0.195 367 E C 1.714 178.300 176.600 -0.022 0.000 0.975 367 E CA -0.032 56.350 56.400 -0.031 0.000 0.878 367 E CB 0.412 30.086 29.700 -0.043 0.000 0.845 367 E HN 0.185 nan 8.360 nan 0.000 0.488 368 R N 0.346 120.827 120.500 -0.032 0.000 2.080 368 R HA -0.058 4.282 4.340 -0.000 0.000 0.222 368 R C 2.573 178.864 176.300 -0.016 0.000 1.107 368 R CA 1.218 57.303 56.100 -0.025 0.000 0.980 368 R CB -0.099 30.178 30.300 -0.038 0.000 0.879 368 R HN 0.171 nan 8.270 nan 0.000 0.439 369 V N -1.330 118.573 119.914 -0.018 0.000 2.392 369 V HA -0.160 3.960 4.120 -0.000 0.000 0.249 369 V C 2.321 178.411 176.094 -0.006 0.000 1.059 369 V CA 1.777 64.069 62.300 -0.012 0.000 1.051 369 V CB -1.172 30.643 31.823 -0.014 0.000 0.658 369 V HN 0.233 nan 8.190 nan 0.000 0.455 370 A N 0.867 123.683 122.820 -0.006 0.000 1.873 370 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 370 A C 2.353 179.940 177.584 0.006 0.000 1.193 370 A CA 2.708 54.744 52.037 -0.001 0.000 0.629 370 A CB -0.731 18.268 19.000 -0.001 0.000 0.826 370 A HN 0.630 nan 8.150 nan 0.000 0.447 371 K N -1.242 119.165 120.400 0.011 0.000 2.002 371 K HA -0.098 4.222 4.320 -0.000 0.000 0.209 371 K C 1.873 178.487 176.600 0.023 0.000 1.048 371 K CA 1.467 57.769 56.287 0.025 0.000 0.930 371 K CB -0.375 32.150 32.500 0.040 0.000 0.714 371 K HN 0.365 nan 8.250 nan 0.000 0.438 372 L N 0.065 121.297 121.223 0.016 0.000 2.456 372 L HA -0.027 4.313 4.340 -0.000 0.000 0.224 372 L C 1.575 178.450 176.870 0.008 0.000 1.148 372 L CA 1.330 56.177 54.840 0.012 0.000 0.825 372 L CB -0.072 41.989 42.059 0.004 0.000 0.937 372 L HN 0.123 nan 8.230 nan 0.000 0.450 373 A N -2.045 120.778 122.820 0.005 0.000 2.287 373 A HA 0.408 4.728 4.320 -0.000 0.000 0.214 373 A C 2.085 179.671 177.584 0.002 0.000 1.228 373 A CA 0.397 52.436 52.037 0.002 0.000 0.939 373 A CB -0.572 18.427 19.000 -0.001 0.000 0.992 373 A HN 0.363 nan 8.150 nan 0.000 0.502 374 G N -0.005 108.797 108.800 0.004 0.000 2.403 374 G HA2 0.372 4.332 3.960 -0.000 0.000 0.216 374 G HA3 0.372 4.332 3.960 -0.000 0.000 0.216 374 G C 1.176 176.077 174.900 0.002 0.000 1.154 374 G CA 0.790 45.891 45.100 0.002 0.000 0.784 374 G HN 1.703 nan 8.290 nan 0.000 0.538 375 G N -1.701 107.101 108.800 0.005 0.000 2.693 375 G HA2 0.038 3.998 3.960 -0.000 0.000 0.226 375 G HA3 0.038 3.998 3.960 -0.000 0.000 0.226 375 G C -0.664 174.236 174.900 -0.000 0.000 1.354 375 G CA -0.297 44.805 45.100 0.003 0.000 0.873 375 G HN 1.074 nan 8.290 nan 0.000 0.562 376 V N 0.124 120.036 119.914 -0.004 0.000 2.638 376 V HA 0.757 4.877 4.120 -0.000 0.000 0.306 376 V C 0.757 176.843 176.094 -0.013 0.000 1.052 376 V CA -0.157 62.137 62.300 -0.010 0.000 0.885 376 V CB 1.335 33.150 31.823 -0.013 0.000 0.999 376 V HN 2.169 nan 8.190 nan 0.000 0.424 377 A N 3.991 126.801 122.820 -0.017 0.000 2.363 377 A HA 0.722 5.042 4.320 -0.000 0.000 0.270 377 A C -0.399 177.172 177.584 -0.020 0.000 1.121 377 A CA -0.278 51.749 52.037 -0.017 0.000 0.800 377 A CB 0.657 19.645 19.000 -0.019 0.000 1.052 377 A HN 0.881 nan 8.150 nan 0.000 0.493 378 V N 4.990 124.893 119.914 -0.018 0.000 2.380 378 V HA 0.253 4.373 4.120 -0.000 0.000 0.286 378 V C -0.219 175.865 176.094 -0.016 0.000 1.015 378 V CA -0.131 62.158 62.300 -0.018 0.000 0.834 378 V CB 0.851 32.664 31.823 -0.016 0.000 1.009 378 V HN 0.753 nan 8.190 nan 0.000 0.428 379 I N 4.485 125.044 120.570 -0.018 0.000 2.441 379 I HA 0.347 4.517 4.170 -0.000 0.000 0.287 379 I C 0.371 176.480 176.117 -0.013 0.000 1.049 379 I CA -0.173 61.117 61.300 -0.016 0.000 1.381 379 I CB 0.892 38.882 38.000 -0.017 0.000 1.409 379 I HN 0.475 nan 8.210 nan 0.000 0.523 380 K N 6.026 126.419 120.400 -0.011 0.000 2.473 380 K HA 0.392 4.712 4.320 -0.000 0.000 0.246 380 K C -0.877 175.718 176.600 -0.008 0.000 1.011 380 K CA -0.623 55.658 56.287 -0.009 0.000 0.984 380 K CB 1.780 34.275 32.500 -0.009 0.000 1.250 380 K HN 0.331 nan 8.250 nan 0.000 0.454 381 V N 2.213 122.123 119.914 -0.007 0.000 2.673 381 V HA 0.123 4.243 4.120 -0.000 0.000 0.303 381 V C 0.898 176.989 176.094 -0.005 0.000 1.046 381 V CA 0.158 62.455 62.300 -0.005 0.000 1.126 381 V CB 1.007 32.827 31.823 -0.004 0.000 0.934 381 V HN 0.883 nan 8.190 nan 0.000 0.487 382 G N 2.682 111.479 108.800 -0.004 0.000 2.481 382 G HA2 0.859 4.819 3.960 -0.000 0.000 0.315 382 G HA3 0.859 4.819 3.960 -0.000 0.000 0.315 382 G C -0.773 174.125 174.900 -0.003 0.000 1.231 382 G CA -0.002 45.096 45.100 -0.004 0.000 0.968 382 G HN 1.194 nan 8.290 nan 0.000 0.482 383 A N -0.469 122.349 122.820 -0.003 0.000 2.557 383 A HA 0.835 5.155 4.320 -0.000 0.000 0.292 383 A C 0.966 178.548 177.584 -0.003 0.000 1.139 383 A CA 0.441 52.477 52.037 -0.003 0.000 0.665 383 A CB 0.542 19.540 19.000 -0.002 0.000 1.285 383 A HN 1.868 nan 8.150 nan 0.000 0.433 384 A N -0.313 122.506 122.820 -0.002 0.000 1.855 384 A HA 0.348 4.668 4.320 -0.000 0.000 0.215 384 A C 1.386 178.968 177.584 -0.002 0.000 1.191 384 A CA 2.570 54.605 52.037 -0.002 0.000 0.613 384 A CB -0.834 18.165 19.000 -0.002 0.000 0.829 384 A HN 2.135 nan 8.150 nan 0.000 0.442 385 T N -4.376 110.177 114.554 -0.002 0.000 2.930 385 T HA 0.466 4.816 4.350 -0.000 0.000 0.290 385 T C 0.533 175.232 174.700 -0.002 0.000 1.052 385 T CA 0.092 62.191 62.100 -0.002 0.000 1.017 385 T CB 1.916 70.783 68.868 -0.002 0.000 1.137 385 T HN 0.325 nan 8.240 nan 0.000 0.511 386 E N 0.301 120.500 120.200 -0.002 0.000 2.130 386 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 386 E C 1.720 178.319 176.600 -0.001 0.000 0.998 386 E CA 1.437 57.836 56.400 -0.002 0.000 0.806 386 E CB -0.172 29.527 29.700 -0.002 0.000 0.738 386 E HN 0.561 nan 8.360 nan 0.000 0.459 387 V N 1.392 121.305 119.914 -0.001 0.000 2.229 387 V HA -0.261 3.859 4.120 -0.000 0.000 0.243 387 V C 2.175 178.269 176.094 -0.001 0.000 1.042 387 V CA 2.258 64.558 62.300 -0.001 0.000 1.000 387 V CB -0.729 31.094 31.823 -0.001 0.000 0.637 387 V HN 0.295 nan 8.190 nan 0.000 0.446 388 E N -0.147 120.053 120.200 -0.001 0.000 2.114 388 E HA -0.317 4.033 4.350 -0.000 0.000 0.199 388 E C 2.191 178.791 176.600 -0.001 0.000 1.008 388 E CA 1.837 58.236 56.400 -0.001 0.000 0.810 388 E CB -0.326 29.373 29.700 -0.002 0.000 0.739 388 E HN 0.447 nan 8.360 nan 0.000 0.456 389 M N 1.132 120.731 119.600 -0.001 0.000 2.086 389 M HA -0.160 4.320 4.480 -0.000 0.000 0.261 389 M C 1.721 178.021 176.300 -0.001 0.000 1.067 389 M CA 1.635 56.934 55.300 -0.001 0.000 1.116 389 M CB -0.228 32.371 32.600 -0.002 0.000 1.348 389 M HN -0.122 nan 8.290 nan 0.000 0.407 390 K N 0.180 120.580 120.400 -0.000 0.000 2.209 390 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 390 K C 1.960 178.561 176.600 0.001 0.000 1.048 390 K CA 0.906 57.194 56.287 0.001 0.000 0.940 390 K CB -0.422 32.078 32.500 0.001 0.000 0.729 390 K HN 0.436 nan 8.250 nan 0.000 0.451 391 E N 1.518 121.718 120.200 0.001 0.000 2.028 391 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 391 E C 1.969 178.570 176.600 0.002 0.000 0.984 391 E CA 1.151 57.551 56.400 0.001 0.000 0.800 391 E CB 0.061 29.761 29.700 -0.000 0.000 0.758 391 E HN 0.188 nan 8.360 nan 0.000 0.448 392 K N 1.103 121.503 120.400 0.001 0.000 2.032 392 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 392 K C 2.273 178.875 176.600 0.002 0.000 1.048 392 K CA 1.930 58.217 56.287 0.001 0.000 0.927 392 K CB -0.193 32.307 32.500 -0.001 0.000 0.712 392 K HN -0.078 nan 8.250 nan 0.000 0.441 393 K N -0.004 120.397 120.400 0.002 0.000 2.211 393 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 393 K C 1.760 178.364 176.600 0.007 0.000 1.047 393 K CA 1.211 57.500 56.287 0.003 0.000 0.935 393 K CB -0.126 32.375 32.500 0.001 0.000 0.728 393 K HN 0.270 nan 8.250 nan 0.000 0.452 394 A N 1.388 124.213 122.820 0.008 0.000 1.854 394 A HA -0.081 4.239 4.320 -0.000 0.000 0.214 394 A C 2.087 179.681 177.584 0.017 0.000 1.192 394 A CA 1.116 53.161 52.037 0.013 0.000 0.611 394 A CB -0.421 18.584 19.000 0.009 0.000 0.832 394 A HN 0.307 nan 8.150 nan 0.000 0.442 395 R N -0.571 119.936 120.500 0.011 0.000 2.091 395 R HA -0.112 4.228 4.340 -0.000 0.000 0.238 395 R C 2.043 178.352 176.300 0.015 0.000 1.136 395 R CA 1.558 57.665 56.100 0.012 0.000 0.959 395 R CB -0.589 29.715 30.300 0.006 0.000 0.856 395 R HN 0.388 nan 8.270 nan 0.000 0.437 396 V N 1.052 120.972 119.914 0.010 0.000 2.343 396 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 396 V C 2.005 178.106 176.094 0.011 0.000 1.051 396 V CA 1.795 64.098 62.300 0.006 0.000 1.036 396 V CB -0.415 31.407 31.823 -0.001 0.000 0.654 396 V HN 0.358 nan 8.190 nan 0.000 0.451 397 E N -0.356 119.856 120.200 0.020 0.000 2.160 397 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 397 E C 1.893 178.551 176.600 0.098 0.000 0.991 397 E CA 1.374 57.797 56.400 0.039 0.000 0.810 397 E CB -0.066 29.664 29.700 0.050 0.000 0.742 397 E HN 0.645 nan 8.360 nan 0.000 0.466 398 D N -0.199 120.252 120.400 0.085 0.000 2.162 398 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 398 D C 1.879 178.238 176.300 0.097 0.000 0.964 398 D CA 0.926 54.990 54.000 0.107 0.000 0.847 398 D CB -0.034 40.797 40.800 0.052 0.000 0.988 398 D HN 0.117 nan 8.370 nan 0.000 0.480 399 A N 1.110 123.961 122.820 0.051 0.000 1.972 399 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 399 A C 2.126 179.727 177.584 0.028 0.000 1.169 399 A CA 0.756 52.814 52.037 0.035 0.000 0.635 399 A CB -0.566 18.444 19.000 0.016 0.000 0.810 399 A HN 0.194 nan 8.150 nan 0.000 0.446 400 L N -1.279 119.949 121.223 0.008 0.000 2.362 400 L HA -0.104 4.236 4.340 -0.000 0.000 0.219 400 L C 2.150 178.976 176.870 -0.074 0.000 1.134 400 L CA 1.643 56.455 54.840 -0.046 0.000 0.807 400 L CB -0.531 41.474 42.059 -0.091 0.000 0.927 400 L HN 0.479 nan 8.230 nan 0.000 0.447 401 H N -1.265 117.803 119.070 -0.003 0.000 2.370 401 H HA 0.185 4.741 4.556 -0.000 0.000 0.304 401 H C 2.107 177.435 175.328 0.001 0.000 1.055 401 H CA 1.123 57.170 56.048 -0.001 0.000 1.373 401 H CB 0.002 29.763 29.762 -0.001 0.000 1.423 401 H HN 0.407 nan 8.280 nan 0.000 0.533 402 A N 0.319 123.223 122.820 0.141 0.000 1.902 402 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 402 A C 2.593 180.208 177.584 0.051 0.000 1.181 402 A CA 2.119 54.202 52.037 0.076 0.000 0.623 402 A CB -0.964 18.066 19.000 0.049 0.000 0.818 402 A HN 0.377 nan 8.150 nan 0.000 0.443 403 T N -0.406 114.170 114.554 0.037 0.000 2.652 403 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 403 T C 2.055 176.766 174.700 0.017 0.000 1.039 403 T CA 1.475 63.586 62.100 0.018 0.000 1.153 403 T CB -0.268 68.603 68.868 0.004 0.000 0.863 403 T HN 0.399 nan 8.240 nan 0.000 0.428 404 R N 0.744 121.252 120.500 0.014 0.000 2.193 404 R HA 0.051 4.391 4.340 -0.000 0.000 0.229 404 R C 2.384 178.703 176.300 0.030 0.000 1.110 404 R CA 1.030 57.138 56.100 0.013 0.000 0.988 404 R CB -0.399 29.899 30.300 -0.003 0.000 0.871 404 R HN 0.386 nan 8.270 nan 0.000 0.458 405 A N -0.034 122.813 122.820 0.045 0.000 2.123 405 A HA 0.168 4.488 4.320 -0.000 0.000 0.214 405 A C 2.016 179.618 177.584 0.031 0.000 1.152 405 A CA 1.026 53.090 52.037 0.045 0.000 0.728 405 A CB 0.068 19.101 19.000 0.055 0.000 0.814 405 A HN 0.300 nan 8.150 nan 0.000 0.464 406 A N -0.889 121.947 122.820 0.026 0.000 1.956 406 A HA 0.248 4.568 4.320 -0.000 0.000 0.212 406 A C 1.940 179.534 177.584 0.016 0.000 1.188 406 A CA 1.042 53.090 52.037 0.019 0.000 0.675 406 A CB -0.441 18.569 19.000 0.017 0.000 0.845 406 A HN 0.242 nan 8.150 nan 0.000 0.455 407 V N 0.519 120.442 119.914 0.014 0.000 2.594 407 V HA -0.224 3.896 4.120 -0.000 0.000 0.253 407 V C 2.303 178.404 176.094 0.012 0.000 1.069 407 V CA 2.227 64.533 62.300 0.011 0.000 1.082 407 V CB -0.593 31.235 31.823 0.007 0.000 0.680 407 V HN 0.611 nan 8.190 nan 0.000 0.469 408 E N -0.252 119.958 120.200 0.016 0.000 2.042 408 E HA -0.077 4.273 4.350 -0.000 0.000 0.189 408 E C 1.520 178.130 176.600 0.016 0.000 0.974 408 E CA 0.995 57.405 56.400 0.017 0.000 0.806 408 E CB 0.080 29.793 29.700 0.022 0.000 0.769 408 E HN 0.623 nan 8.360 nan 0.000 0.451 409 E N -0.315 119.895 120.200 0.017 0.000 2.660 409 E HA 0.239 4.589 4.350 -0.000 0.000 0.216 409 E C 0.093 176.701 176.600 0.014 0.000 0.986 409 E CA 0.046 56.455 56.400 0.015 0.000 1.037 409 E CB 1.596 31.305 29.700 0.016 0.000 1.041 409 E HN 0.250 nan 8.360 nan 0.000 0.480 410 G N 1.152 109.961 108.800 0.014 0.000 2.760 410 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.246 410 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.246 410 G C -0.343 174.565 174.900 0.014 0.000 1.359 410 G CA -0.438 44.670 45.100 0.013 0.000 0.861 410 G HN 0.522 nan 8.290 nan 0.000 0.541 411 V N -2.185 117.737 119.914 0.014 0.000 3.001 411 V HA 0.993 5.112 4.120 -0.000 0.000 0.314 411 V C 0.490 176.592 176.094 0.013 0.000 1.099 411 V CA 0.350 62.658 62.300 0.013 0.000 0.989 411 V CB 1.573 33.403 31.823 0.012 0.000 1.040 411 V HN 2.535 nan 8.190 nan 0.000 0.434 412 V N -0.138 119.783 119.914 0.013 0.000 3.167 412 V HA 1.008 5.128 4.120 -0.000 0.000 0.310 412 V C 0.404 176.504 176.094 0.011 0.000 1.207 412 V CA -0.690 61.619 62.300 0.014 0.000 1.059 412 V CB 1.236 33.068 31.823 0.015 0.000 1.079 412 V HN 2.211 nan 8.190 nan 0.000 0.446 413 A N 0.904 123.732 122.820 0.012 0.000 2.546 413 A HA 0.626 4.946 4.320 -0.000 0.000 0.243 413 A C 0.967 178.551 177.584 -0.001 0.000 1.063 413 A CA 0.675 52.715 52.037 0.005 0.000 0.757 413 A CB -0.515 18.491 19.000 0.010 0.000 0.991 413 A HN 1.998 nan 8.150 nan 0.000 0.503 414 G N 1.229 110.022 108.800 -0.012 0.000 2.580 414 G HA2 0.462 4.422 3.960 -0.000 0.000 0.225 414 G HA3 0.462 4.422 3.960 -0.000 0.000 0.225 414 G C 1.241 176.130 174.900 -0.019 0.000 1.521 414 G CA 0.076 45.167 45.100 -0.015 0.000 1.068 414 G HN 2.214 nan 8.290 nan 0.000 0.564 415 G N -1.540 107.245 108.800 -0.026 0.000 2.309 415 G HA2 0.180 4.140 3.960 -0.000 0.000 0.286 415 G HA3 0.180 4.140 3.960 -0.000 0.000 0.286 415 G C 1.538 176.436 174.900 -0.004 0.000 1.002 415 G CA 1.471 46.556 45.100 -0.025 0.000 0.786 415 G HN 2.403 nan 8.290 nan 0.000 0.511 416 G N -2.659 106.141 108.800 0.000 0.000 2.184 416 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.264 416 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.264 416 G C 1.793 176.700 174.900 0.013 0.000 0.975 416 G CA 1.874 46.980 45.100 0.009 0.000 0.642 416 G HN 2.158 nan 8.290 nan 0.000 0.536 417 V N -1.945 117.975 119.914 0.011 0.000 2.488 417 V HA 0.360 4.480 4.120 -0.000 0.000 0.246 417 V C 2.904 179.013 176.094 0.025 0.000 1.046 417 V CA 1.936 64.248 62.300 0.019 0.000 1.053 417 V CB -1.057 30.773 31.823 0.012 0.000 0.679 417 V HN 1.481 nan 8.190 nan 0.000 0.458 418 A N 0.979 123.811 122.820 0.020 0.000 1.927 418 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 418 A C 2.247 179.845 177.584 0.023 0.000 1.185 418 A CA 2.644 54.694 52.037 0.022 0.000 0.639 418 A CB -0.776 18.234 19.000 0.017 0.000 0.820 418 A HN 0.636 nan 8.150 nan 0.000 0.451 419 L N -1.366 119.869 121.223 0.020 0.000 2.068 419 L HA -0.016 4.324 4.340 -0.000 0.000 0.204 419 L C 2.474 179.357 176.870 0.022 0.000 1.076 419 L CA 1.152 56.003 54.840 0.019 0.000 0.753 419 L CB -0.332 41.737 42.059 0.017 0.000 0.910 419 L HN 0.437 nan 8.230 nan 0.000 0.439 420 I N -0.174 120.411 120.570 0.025 0.000 2.361 420 I HA -0.305 3.865 4.170 -0.000 0.000 0.251 420 I C 2.773 178.912 176.117 0.036 0.000 1.133 420 I CA 0.936 62.254 61.300 0.029 0.000 1.413 420 I CB 0.046 38.064 38.000 0.030 0.000 1.073 420 I HN 0.216 nan 8.210 nan 0.000 0.424 421 R N 0.322 120.847 120.500 0.042 0.000 2.057 421 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 421 R C 2.056 178.377 176.300 0.035 0.000 1.136 421 R CA 2.017 58.146 56.100 0.048 0.000 0.952 421 R CB -1.073 29.260 30.300 0.055 0.000 0.848 421 R HN 0.188 nan 8.270 nan 0.000 0.430 422 V N 1.216 121.147 119.914 0.029 0.000 2.453 422 V HA -0.280 3.840 4.120 -0.000 0.000 0.252 422 V C 2.300 178.406 176.094 0.019 0.000 1.068 422 V CA 2.069 64.382 62.300 0.021 0.000 1.070 422 V CB -0.869 30.964 31.823 0.017 0.000 0.664 422 V HN 0.600 nan 8.190 nan 0.000 0.461 423 A N 0.265 123.097 122.820 0.020 0.000 1.873 423 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 423 A C 2.525 180.119 177.584 0.018 0.000 1.186 423 A CA 2.039 54.086 52.037 0.017 0.000 0.616 423 A CB -0.810 18.201 19.000 0.017 0.000 0.823 423 A HN 0.703 nan 8.150 nan 0.000 0.442 424 S N -0.242 115.472 115.700 0.023 0.000 2.442 424 S HA -0.124 4.346 4.470 -0.000 0.000 0.236 424 S C 1.648 176.260 174.600 0.019 0.000 1.007 424 S CA 1.505 59.719 58.200 0.023 0.000 0.965 424 S CB -0.331 62.888 63.200 0.031 0.000 0.773 424 S HN 0.570 nan 8.310 nan 0.000 0.504 425 K N 0.393 120.805 120.400 0.019 0.000 2.432 425 K HA 0.267 4.587 4.320 -0.000 0.000 0.196 425 K C 0.785 177.392 176.600 0.012 0.000 1.038 425 K CA 0.484 56.781 56.287 0.016 0.000 0.986 425 K CB -0.106 32.405 32.500 0.017 0.000 0.782 425 K HN 0.428 nan 8.250 nan 0.000 0.485 426 L N -0.238 120.992 121.223 0.011 0.000 2.965 426 L HA 0.236 4.576 4.340 -0.000 0.000 0.254 426 L C 1.522 178.396 176.870 0.007 0.000 1.220 426 L CA -0.288 54.557 54.840 0.008 0.000 1.023 426 L CB 0.471 42.534 42.059 0.007 0.000 1.355 426 L HN 0.021 nan 8.230 nan 0.000 0.545 427 A N -0.081 122.744 122.820 0.008 0.000 2.019 427 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 427 A C 1.672 179.259 177.584 0.005 0.000 1.164 427 A CA 1.819 53.860 52.037 0.007 0.000 0.644 427 A CB -0.208 18.797 19.000 0.007 0.000 0.805 427 A HN 0.343 nan 8.150 nan 0.000 0.449 428 D N -1.101 119.301 120.400 0.005 0.000 2.289 428 D HA 0.063 4.703 4.640 -0.000 0.000 0.207 428 D C 0.642 176.944 176.300 0.003 0.000 0.966 428 D CA -0.031 53.971 54.000 0.003 0.000 0.868 428 D CB -0.244 40.558 40.800 0.003 0.000 0.943 428 D HN 0.336 nan 8.370 nan 0.000 0.514 429 L N 1.622 122.847 121.223 0.003 0.000 2.559 429 L HA 0.055 4.395 4.340 -0.000 0.000 0.282 429 L C 0.204 177.075 176.870 0.002 0.000 1.232 429 L CA 0.744 55.586 54.840 0.003 0.000 0.885 429 L CB 0.016 42.077 42.059 0.003 0.000 1.131 429 L HN -0.118 nan 8.230 nan 0.000 0.498 430 R N 2.918 123.419 120.500 0.002 0.000 2.869 430 R HA 0.790 5.130 4.340 -0.000 0.000 0.263 430 R C -0.353 175.948 176.300 0.001 0.000 1.066 430 R CA -0.348 55.753 56.100 0.001 0.000 0.960 430 R CB 1.397 31.698 30.300 0.001 0.000 1.221 430 R HN 0.813 nan 8.270 nan 0.000 0.474 431 G N -0.632 108.169 108.800 0.001 0.000 3.176 431 G HA2 0.237 4.197 3.960 -0.000 0.000 0.272 431 G HA3 0.237 4.197 3.960 -0.000 0.000 0.272 431 G C -0.046 174.854 174.900 0.001 0.000 1.349 431 G CA -0.347 44.753 45.100 0.001 0.000 0.953 431 G HN 0.383 nan 8.290 nan 0.000 0.559 432 Q N -0.680 119.120 119.800 0.001 0.000 2.291 432 Q HA -0.022 4.318 4.340 -0.000 0.000 0.206 432 Q C 0.302 176.302 176.000 0.001 0.000 0.976 432 Q CA 1.459 57.262 55.803 0.001 0.000 0.875 432 Q CB -0.078 28.660 28.738 0.000 0.000 0.927 432 Q HN 0.600 nan 8.270 nan 0.000 0.450 433 N N -2.804 115.897 118.700 0.001 0.000 2.927 433 N HA 0.029 4.769 4.740 -0.000 0.000 0.248 433 N C -0.235 175.276 175.510 0.001 0.000 1.443 433 N CA -0.511 52.539 53.050 0.001 0.000 0.870 433 N CB 0.554 39.042 38.487 0.001 0.000 1.444 433 N HN -0.302 nan 8.380 nan 0.000 0.519 434 E N -0.182 120.019 120.200 0.001 0.000 2.085 434 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 434 E C 0.480 177.081 176.600 0.002 0.000 0.994 434 E CA 1.814 58.215 56.400 0.001 0.000 0.801 434 E CB -0.273 29.427 29.700 0.001 0.000 0.743 434 E HN 0.593 nan 8.360 nan 0.000 0.453 435 D N 0.081 120.482 120.400 0.002 0.000 2.087 435 D HA -0.190 4.450 4.640 -0.000 0.000 0.192 435 D C 1.970 178.271 176.300 0.002 0.000 0.993 435 D CA 1.225 55.227 54.000 0.002 0.000 0.828 435 D CB -0.410 40.392 40.800 0.002 0.000 0.968 435 D HN 0.340 nan 8.370 nan 0.000 0.448 436 Q N 0.155 119.956 119.800 0.002 0.000 2.197 436 Q HA -0.155 4.185 4.340 -0.000 0.000 0.207 436 Q C 1.883 177.885 176.000 0.002 0.000 0.984 436 Q CA 0.900 56.704 55.803 0.002 0.000 0.869 436 Q CB -0.001 28.738 28.738 0.002 0.000 0.906 436 Q HN 0.259 nan 8.270 nan 0.000 0.426 437 N N -0.289 118.412 118.700 0.002 0.000 2.120 437 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 437 N C 1.841 177.353 175.510 0.003 0.000 1.024 437 N CA 1.061 54.113 53.050 0.002 0.000 0.852 437 N CB -0.338 38.150 38.487 0.002 0.000 1.003 437 N HN 0.064 nan 8.380 nan 0.000 0.424 438 V N 1.186 121.101 119.914 0.003 0.000 2.287 438 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 438 V C 2.513 178.609 176.094 0.003 0.000 1.053 438 V CA 2.082 64.384 62.300 0.003 0.000 1.027 438 V CB -1.350 30.475 31.823 0.003 0.000 0.646 438 V HN 0.343 nan 8.190 nan 0.000 0.447 439 G N -0.097 108.705 108.800 0.003 0.000 2.513 439 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 439 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 439 G C 1.521 176.423 174.900 0.003 0.000 1.160 439 G CA 1.502 46.604 45.100 0.004 0.000 0.767 439 G HN 0.443 nan 8.290 nan 0.000 0.571 440 I N 0.678 121.249 120.570 0.003 0.000 2.113 440 I HA -0.083 4.087 4.170 -0.000 0.000 0.238 440 I C 2.644 178.764 176.117 0.004 0.000 1.070 440 I CA 1.255 62.557 61.300 0.003 0.000 1.332 440 I CB -0.139 37.862 38.000 0.003 0.000 1.044 440 I HN -0.052 nan 8.210 nan 0.000 0.402 441 K N 0.152 120.555 120.400 0.004 0.000 2.160 441 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 441 K C 2.175 178.778 176.600 0.005 0.000 1.047 441 K CA 1.083 57.373 56.287 0.005 0.000 0.930 441 K CB -0.766 31.737 32.500 0.004 0.000 0.720 441 K HN 0.236 nan 8.250 nan 0.000 0.450 442 V N 1.233 121.150 119.914 0.005 0.000 2.270 442 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 442 V C 2.448 178.545 176.094 0.007 0.000 1.043 442 V CA 1.885 64.188 62.300 0.006 0.000 1.014 442 V CB -0.665 31.162 31.823 0.006 0.000 0.645 442 V HN 0.300 nan 8.190 nan 0.000 0.447 443 A N -0.232 122.591 122.820 0.006 0.000 1.883 443 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 443 A C 2.194 179.782 177.584 0.007 0.000 1.186 443 A CA 1.904 53.945 52.037 0.007 0.000 0.624 443 A CB -0.583 18.420 19.000 0.005 0.000 0.822 443 A HN 0.499 nan 8.150 nan 0.000 0.444 444 L N -1.317 119.910 121.223 0.007 0.000 2.012 444 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 444 L C 2.833 179.709 176.870 0.009 0.000 1.073 444 L CA 1.946 56.791 54.840 0.008 0.000 0.748 444 L CB -0.623 41.440 42.059 0.008 0.000 0.891 444 L HN 0.448 nan 8.230 nan 0.000 0.431 445 R N 0.227 120.732 120.500 0.008 0.000 2.091 445 R HA -0.206 4.134 4.340 -0.000 0.000 0.238 445 R C 2.340 178.646 176.300 0.009 0.000 1.136 445 R CA 1.610 57.715 56.100 0.008 0.000 0.959 445 R CB -0.254 30.050 30.300 0.007 0.000 0.856 445 R HN 0.382 nan 8.270 nan 0.000 0.437 446 A N 0.596 123.421 122.820 0.009 0.000 1.933 446 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 446 A C 2.073 179.664 177.584 0.011 0.000 1.175 446 A CA 1.441 53.483 52.037 0.010 0.000 0.628 446 A CB -0.406 18.600 19.000 0.010 0.000 0.814 446 A HN 0.353 nan 8.150 nan 0.000 0.444 447 M N -0.493 119.113 119.600 0.011 0.000 2.706 447 M HA -0.130 4.350 4.480 -0.000 0.000 0.251 447 M C 1.268 177.576 176.300 0.013 0.000 1.070 447 M CA 1.012 56.319 55.300 0.013 0.000 1.073 447 M CB -0.251 32.356 32.600 0.013 0.000 1.449 447 M HN 0.488 nan 8.290 nan 0.000 0.531 448 E N -0.221 119.986 120.200 0.012 0.000 2.415 448 E HA 0.075 4.425 4.350 -0.000 0.000 0.197 448 E C 2.054 178.660 176.600 0.010 0.000 1.007 448 E CA 0.335 56.741 56.400 0.011 0.000 0.890 448 E CB 0.146 29.852 29.700 0.010 0.000 0.891 448 E HN 0.478 nan 8.360 nan 0.000 0.496 449 A N 2.577 125.403 122.820 0.010 0.000 1.869 449 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 449 A C -0.347 177.242 177.584 0.009 0.000 1.203 449 A CA 1.698 53.740 52.037 0.009 0.000 0.638 449 A CB -1.698 17.308 19.000 0.009 0.000 0.831 449 A HN 0.125 nan 8.150 nan 0.000 0.450 450 P HA -0.208 nan 4.420 nan 0.000 0.215 450 P C 1.845 179.151 177.300 0.011 0.000 1.163 450 P CA 1.327 64.433 63.100 0.010 0.000 0.894 450 P CB -0.162 31.544 31.700 0.011 0.000 0.791 451 L N -0.960 120.271 121.223 0.013 0.000 1.994 451 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 451 L C 2.517 179.395 176.870 0.013 0.000 1.071 451 L CA 1.751 56.601 54.840 0.017 0.000 0.745 451 L CB -0.354 41.714 42.059 0.015 0.000 0.892 451 L HN -0.173 nan 8.230 nan 0.000 0.431 452 R N -0.742 119.762 120.500 0.006 0.000 2.170 452 R HA -0.262 4.078 4.340 -0.000 0.000 0.242 452 R C 2.212 178.515 176.300 0.005 0.000 1.145 452 R CA 1.790 57.891 56.100 0.000 0.000 0.984 452 R CB -0.209 30.091 30.300 -0.000 0.000 0.869 452 R HN 0.428 nan 8.270 nan 0.000 0.455 453 Q N 0.778 120.583 119.800 0.008 0.000 2.062 453 Q HA -0.013 4.327 4.340 -0.000 0.000 0.196 453 Q C 1.817 177.825 176.000 0.013 0.000 0.967 453 Q CA 1.321 57.129 55.803 0.009 0.000 0.832 453 Q CB -0.000 28.742 28.738 0.007 0.000 0.899 453 Q HN 0.302 nan 8.270 nan 0.000 0.442 454 I N -0.419 120.161 120.570 0.017 0.000 2.163 454 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 454 I C 2.105 178.245 176.117 0.039 0.000 1.085 454 I CA 1.032 62.345 61.300 0.021 0.000 1.347 454 I CB -0.454 37.559 38.000 0.023 0.000 1.044 454 I HN 0.087 nan 8.210 nan 0.000 0.408 455 V N 0.720 120.665 119.914 0.052 0.000 2.255 455 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 455 V C 2.437 178.554 176.094 0.037 0.000 1.051 455 V CA 1.923 64.262 62.300 0.066 0.000 1.018 455 V CB -0.518 31.312 31.823 0.013 0.000 0.641 455 V HN 0.346 nan 8.190 nan 0.000 0.445 456 L N 0.866 122.100 121.223 0.019 0.000 2.043 456 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 456 L C 2.187 179.066 176.870 0.015 0.000 1.075 456 L CA 2.007 56.855 54.840 0.013 0.000 0.752 456 L CB -1.158 40.905 42.059 0.007 0.000 0.891 456 L HN 0.356 nan 8.230 nan 0.000 0.432 457 N N -0.962 117.746 118.700 0.014 0.000 2.272 457 N HA -0.162 4.578 4.740 -0.000 0.000 0.185 457 N C 1.422 176.940 175.510 0.013 0.000 1.014 457 N CA 1.592 54.648 53.050 0.010 0.000 0.870 457 N CB -0.550 37.941 38.487 0.006 0.000 0.975 457 N HN 0.435 nan 8.380 nan 0.000 0.433 458 C N 0.258 119.572 119.300 0.023 0.000 2.559 458 C HA 0.334 4.794 4.460 -0.000 0.000 0.300 458 C C 1.471 176.480 174.990 0.031 0.000 1.288 458 C CA -0.409 58.625 59.018 0.028 0.000 1.699 458 C CB -1.182 26.586 27.740 0.047 0.000 1.819 458 C HN 0.538 nan 8.230 nan 0.000 0.600 459 G N 1.822 110.636 108.800 0.023 0.000 2.305 459 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.287 459 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.287 459 G C 0.005 174.920 174.900 0.025 0.000 1.036 459 G CA 0.359 45.472 45.100 0.020 0.000 0.887 459 G HN 0.537 nan 8.290 nan 0.000 0.505 460 E N -0.845 119.372 120.200 0.028 0.000 2.803 460 E HA 0.599 4.949 4.350 -0.000 0.000 0.250 460 E C 0.278 176.881 176.600 0.005 0.000 1.102 460 E CA -0.940 55.475 56.400 0.024 0.000 1.017 460 E CB 0.553 30.271 29.700 0.029 0.000 1.346 460 E HN 0.091 nan 8.360 nan 0.000 0.532 461 K N 1.470 121.864 120.400 -0.010 0.000 2.354 461 K HA 0.296 4.616 4.320 -0.000 0.000 0.257 461 K C -2.229 174.350 176.600 -0.035 0.000 1.062 461 K CA -2.253 54.025 56.287 -0.015 0.000 0.971 461 K CB 0.841 33.335 32.500 -0.010 0.000 1.305 461 K HN 0.002 nan 8.250 nan 0.000 0.449 462 P HA -0.215 nan 4.420 nan 0.000 0.215 462 P C 0.789 178.067 177.300 -0.037 0.000 1.163 462 P CA 1.228 64.308 63.100 -0.034 0.000 0.894 462 P CB 0.321 32.012 31.700 -0.016 0.000 0.791 463 S N -0.974 114.713 115.700 -0.022 0.000 2.353 463 S HA -0.147 4.323 4.470 -0.000 0.000 0.222 463 S C 1.941 176.530 174.600 -0.017 0.000 1.035 463 S CA 1.548 59.739 58.200 -0.015 0.000 1.025 463 S CB -1.241 61.954 63.200 -0.008 0.000 0.902 463 S HN -0.117 nan 8.310 nan 0.000 0.440 464 V N 1.588 121.490 119.914 -0.020 0.000 2.220 464 V HA -0.223 3.897 4.120 -0.000 0.000 0.250 464 V C 2.329 178.415 176.094 -0.014 0.000 1.056 464 V CA 2.106 64.398 62.300 -0.013 0.000 1.016 464 V CB -1.084 30.732 31.823 -0.012 0.000 0.639 464 V HN 0.383 nan 8.190 nan 0.000 0.446 465 V N 0.250 120.121 119.914 -0.072 0.000 2.453 465 V HA -0.297 3.823 4.120 -0.000 0.000 0.252 465 V C 2.600 178.643 176.094 -0.085 0.000 1.068 465 V CA 2.108 64.309 62.300 -0.165 0.000 1.070 465 V CB -1.308 30.234 31.823 -0.468 0.000 0.664 465 V HN 0.593 nan 8.190 nan 0.000 0.461 466 A N 0.374 123.165 122.820 -0.048 0.000 1.872 466 A HA -0.191 4.129 4.320 -0.000 0.000 0.214 466 A C 2.059 179.662 177.584 0.031 0.000 1.187 466 A CA 1.884 53.916 52.037 -0.009 0.000 0.614 466 A CB -0.719 18.276 19.000 -0.008 0.000 0.826 466 A HN 0.647 nan 8.150 nan 0.000 0.442 467 N N -0.417 118.299 118.700 0.027 0.000 2.120 467 N HA -0.123 4.617 4.740 -0.000 0.000 0.188 467 N C 1.662 177.213 175.510 0.068 0.000 1.024 467 N CA 1.825 54.897 53.050 0.037 0.000 0.852 467 N CB -0.311 38.187 38.487 0.019 0.000 1.003 467 N HN 0.467 nan 8.380 nan 0.000 0.424 468 T N 0.508 115.117 114.554 0.091 0.000 2.684 468 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 468 T C 2.124 176.986 174.700 0.269 0.000 1.036 468 T CA 1.039 63.228 62.100 0.149 0.000 1.148 468 T CB -0.476 68.503 68.868 0.185 0.000 0.863 468 T HN 0.012 nan 8.240 nan 0.000 0.436 469 V N 1.450 121.517 119.914 0.254 0.000 2.490 469 V HA -0.125 3.995 4.120 -0.000 0.000 0.250 469 V C 2.368 178.590 176.094 0.215 0.000 1.061 469 V CA 1.440 63.892 62.300 0.254 0.000 1.064 469 V CB -0.511 31.382 31.823 0.117 0.000 0.670 469 V HN 0.467 nan 8.190 nan 0.000 0.461 470 K N 0.109 120.589 120.400 0.134 0.000 2.439 470 K HA 0.001 4.321 4.320 -0.000 0.000 0.197 470 K C 2.121 178.772 176.600 0.085 0.000 1.041 470 K CA 0.890 57.233 56.287 0.094 0.000 0.970 470 K CB -0.218 32.317 32.500 0.058 0.000 0.773 470 K HN 0.570 nan 8.250 nan 0.000 0.479 471 G N 1.324 110.184 108.800 0.099 0.000 2.404 471 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.214 471 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.214 471 G C 0.889 175.798 174.900 0.014 0.000 1.189 471 G CA 0.550 45.678 45.100 0.046 0.000 0.789 471 G HN 0.365 nan 8.290 nan 0.000 0.533 472 G N -0.677 108.148 108.800 0.042 0.000 2.529 472 G HA2 0.396 4.356 3.960 -0.000 0.000 0.277 472 G HA3 0.396 4.356 3.960 -0.000 0.000 0.277 472 G C -0.938 173.978 174.900 0.026 0.000 1.383 472 G CA 0.264 45.298 45.100 -0.111 0.000 1.050 472 G HN 0.329 nan 8.290 nan 0.000 0.526 473 D N -3.637 116.777 120.400 0.024 0.000 2.583 473 D HA 0.534 5.174 4.640 -0.000 0.000 0.248 473 D C 0.626 176.984 176.300 0.095 0.000 1.209 473 D CA 1.097 55.130 54.000 0.055 0.000 0.848 473 D CB 1.482 42.288 40.800 0.010 0.000 1.431 473 D HN 1.194 nan 8.370 nan 0.000 0.436 474 G N 1.617 110.464 108.800 0.079 0.000 2.514 474 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.265 474 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.265 474 G C 0.075 175.036 174.900 0.102 0.000 1.150 474 G CA 0.294 45.442 45.100 0.080 0.000 0.959 474 G HN 0.587 nan 8.290 nan 0.000 0.556 475 N N 0.143 118.907 118.700 0.107 0.000 2.376 475 N HA 0.354 5.094 4.740 -0.000 0.000 0.249 475 N C -0.263 175.323 175.510 0.127 0.000 1.140 475 N CA -0.086 53.019 53.050 0.092 0.000 0.870 475 N CB 0.358 38.880 38.487 0.058 0.000 1.124 475 N HN 0.536 nan 8.380 nan 0.000 0.505 476 Y N 1.113 121.445 120.300 0.052 0.000 2.587 476 Y HA 0.442 4.992 4.550 -0.000 0.000 0.344 476 Y C 0.863 176.820 175.900 0.095 0.000 1.061 476 Y CA -0.326 57.820 58.100 0.077 0.000 1.370 476 Y CB -0.215 38.293 38.460 0.081 0.000 1.163 476 Y HN 0.136 nan 8.280 nan 0.000 0.527 477 G N 4.115 112.741 108.800 -0.291 0.000 3.252 477 G HA2 0.294 4.254 3.960 -0.000 0.000 0.181 477 G HA3 0.294 4.254 3.960 -0.000 0.000 0.181 477 G C -2.156 172.570 174.900 -0.290 0.000 1.187 477 G CA -0.697 44.274 45.100 -0.215 0.000 0.886 477 G HN 0.486 nan 8.290 nan 0.000 0.615 478 Y N 1.171 121.251 120.300 -0.366 0.000 2.400 478 Y HA 0.420 4.970 4.550 -0.000 0.000 0.335 478 Y C -0.430 175.274 175.900 -0.326 0.000 1.066 478 Y CA -1.437 56.352 58.100 -0.518 0.000 1.285 478 Y CB 0.849 38.922 38.460 -0.645 0.000 1.103 478 Y HN 0.417 nan 8.280 nan 0.000 0.490 479 N N 4.325 122.681 118.700 -0.574 0.000 2.406 479 N HA 0.063 4.803 4.740 -0.000 0.000 0.274 479 N C 0.843 175.849 175.510 -0.840 0.000 1.249 479 N CA 0.949 53.703 53.050 -0.495 0.000 0.951 479 N CB 1.251 39.550 38.487 -0.312 0.000 1.241 479 N HN 0.847 nan 8.380 nan 0.000 0.485 480 A N 3.659 126.037 122.820 -0.736 0.000 2.172 480 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 480 A C 1.987 179.355 177.584 -0.360 0.000 1.154 480 A CA 1.310 52.944 52.037 -0.672 0.000 0.701 480 A CB -0.293 18.573 19.000 -0.224 0.000 0.789 480 A HN 0.723 nan 8.150 nan 0.000 0.465 481 A N -0.467 122.182 122.820 -0.285 0.000 2.016 481 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 481 A C 1.960 179.449 177.584 -0.158 0.000 1.162 481 A CA 1.907 53.841 52.037 -0.172 0.000 0.662 481 A CB -0.487 18.434 19.000 -0.132 0.000 0.812 481 A HN 0.806 nan 8.150 nan 0.000 0.450 482 T N -4.077 110.348 114.554 -0.214 0.000 3.231 482 T HA 0.380 4.730 4.350 -0.000 0.000 0.292 482 T C 0.049 174.660 174.700 -0.148 0.000 1.001 482 T CA 0.554 62.567 62.100 -0.146 0.000 0.920 482 T CB -0.160 68.642 68.868 -0.110 0.000 1.140 482 T HN 0.400 nan 8.240 nan 0.000 0.525 483 E N 0.924 120.973 120.200 -0.251 0.000 2.885 483 E HA -0.223 4.127 4.350 -0.000 0.000 0.267 483 E C -0.345 176.275 176.600 0.033 0.000 1.100 483 E CA 1.261 57.594 56.400 -0.112 0.000 0.779 483 E CB -1.583 28.166 29.700 0.081 0.000 1.383 483 E HN 0.803 nan 8.360 nan 0.000 0.443 484 E N 0.011 120.146 120.200 -0.109 0.000 2.176 484 E HA 0.301 4.651 4.350 -0.000 0.000 0.267 484 E C -0.396 176.233 176.600 0.049 0.000 0.893 484 E CA -0.796 55.656 56.400 0.087 0.000 0.761 484 E CB 0.849 30.580 29.700 0.052 0.000 1.133 484 E HN 0.032 nan 8.360 nan 0.000 0.409 485 Y N 1.237 121.574 120.300 0.061 0.000 2.258 485 Y HA 0.470 5.020 4.550 0.000 0.000 0.345 485 Y C 1.408 177.252 175.900 -0.093 0.000 1.303 485 Y CA 0.609 58.674 58.100 -0.057 0.000 1.537 485 Y CB 0.587 39.014 38.460 -0.054 0.000 1.383 485 Y HN 0.749 nan 8.280 nan 0.000 0.606 486 G N -0.108 108.637 108.800 -0.093 0.000 2.302 486 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.264 486 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.264 486 G C -1.598 173.324 174.900 0.038 0.000 1.335 486 G CA -1.021 44.132 45.100 0.089 0.000 0.982 486 G HN 0.644 nan 8.290 nan 0.000 0.473 487 N N 0.988 119.744 118.700 0.095 0.000 2.444 487 N HA 0.268 5.008 4.740 -0.000 0.000 0.271 487 N C 1.650 177.167 175.510 0.012 0.000 1.069 487 N CA -0.531 52.565 53.050 0.077 0.000 0.965 487 N CB 0.993 39.529 38.487 0.082 0.000 1.092 487 N HN 0.396 nan 8.380 nan 0.000 0.476 488 M N 3.378 122.975 119.600 -0.005 0.000 2.099 488 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 488 M C 1.662 177.953 176.300 -0.015 0.000 1.067 488 M CA 0.935 56.217 55.300 -0.029 0.000 1.124 488 M CB -0.599 31.982 32.600 -0.032 0.000 1.353 488 M HN 0.544 nan 8.290 nan 0.000 0.410 489 I N 0.619 121.191 120.570 0.003 0.000 2.208 489 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 489 I C 1.737 177.856 176.117 0.003 0.000 1.097 489 I CA 1.620 62.923 61.300 0.005 0.000 1.363 489 I CB -1.604 36.404 38.000 0.014 0.000 1.051 489 I HN 0.224 nan 8.210 nan 0.000 0.413 490 D N 0.342 120.748 120.400 0.009 0.000 2.178 490 D HA -0.107 4.533 4.640 -0.000 0.000 0.202 490 D C 2.295 178.595 176.300 -0.001 0.000 0.974 490 D CA 0.914 54.920 54.000 0.009 0.000 0.841 490 D CB -0.112 40.700 40.800 0.021 0.000 0.953 490 D HN 0.271 nan 8.370 nan 0.000 0.478 491 M N -1.081 118.512 119.600 -0.011 0.000 2.562 491 M HA 0.121 4.601 4.480 -0.000 0.000 0.257 491 M C 1.031 177.313 176.300 -0.029 0.000 1.099 491 M CA 0.807 56.092 55.300 -0.025 0.000 1.099 491 M CB 0.406 32.978 32.600 -0.046 0.000 1.427 491 M HN 0.146 nan 8.290 nan 0.000 0.489 492 G N 1.844 110.630 108.800 -0.022 0.000 2.132 492 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.228 492 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.228 492 G C -0.041 174.843 174.900 -0.028 0.000 1.000 492 G CA -0.455 44.632 45.100 -0.021 0.000 0.693 492 G HN 0.471 nan 8.290 nan 0.000 0.515 493 I N 1.158 121.708 120.570 -0.034 0.000 2.412 493 I HA 0.506 4.676 4.170 -0.000 0.000 0.279 493 I C 0.192 176.293 176.117 -0.027 0.000 1.063 493 I CA -0.812 60.464 61.300 -0.040 0.000 1.193 493 I CB 0.566 38.527 38.000 -0.065 0.000 1.370 493 I HN 0.239 nan 8.210 nan 0.000 0.479 494 L N 3.558 124.771 121.223 -0.017 0.000 2.403 494 L HA 0.809 5.149 4.340 -0.000 0.000 0.253 494 L C -1.370 175.498 176.870 -0.003 0.000 1.045 494 L CA -0.682 54.153 54.840 -0.008 0.000 0.845 494 L CB 1.709 43.766 42.059 -0.002 0.000 1.447 494 L HN 0.022 nan 8.230 nan 0.000 0.411 495 D N -0.373 120.028 120.400 0.002 0.000 2.879 495 D HA 0.433 5.073 4.640 -0.000 0.000 0.236 495 D C -2.823 173.484 176.300 0.012 0.000 1.171 495 D CA -1.147 52.857 54.000 0.006 0.000 0.868 495 D CB 2.625 43.428 40.800 0.006 0.000 1.598 495 D HN 0.369 nan 8.370 nan 0.000 0.497 496 P HA 0.026 nan 4.420 nan 0.000 0.262 496 P C 0.915 178.227 177.300 0.020 0.000 1.199 496 P CA 0.231 63.343 63.100 0.020 0.000 0.763 496 P CB 0.566 32.282 31.700 0.026 0.000 0.790 497 T N 3.034 117.599 114.554 0.018 0.000 2.721 497 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 497 T C 1.615 176.326 174.700 0.019 0.000 1.038 497 T CA 1.450 63.560 62.100 0.017 0.000 1.145 497 T CB -0.332 68.545 68.868 0.014 0.000 0.858 497 T HN 0.500 nan 8.240 nan 0.000 0.459 498 K N 0.794 121.208 120.400 0.023 0.000 2.152 498 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 498 K C 2.368 178.990 176.600 0.037 0.000 1.048 498 K CA 1.412 57.716 56.287 0.028 0.000 0.933 498 K CB -0.214 32.306 32.500 0.034 0.000 0.721 498 K HN 0.412 nan 8.250 nan 0.000 0.447 499 V N -1.437 118.497 119.914 0.034 0.000 2.535 499 V HA -0.090 4.030 4.120 -0.000 0.000 0.246 499 V C 1.741 177.858 176.094 0.039 0.000 1.045 499 V CA 1.886 64.210 62.300 0.040 0.000 1.058 499 V CB -0.394 31.445 31.823 0.027 0.000 0.689 499 V HN 0.198 nan 8.190 nan 0.000 0.461 500 T N 0.770 115.340 114.554 0.027 0.000 2.708 500 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 500 T C 1.962 176.676 174.700 0.023 0.000 1.037 500 T CA 2.162 64.276 62.100 0.024 0.000 1.146 500 T CB -0.397 68.482 68.868 0.017 0.000 0.865 500 T HN 0.620 nan 8.240 nan 0.000 0.435 501 R N 0.944 121.454 120.500 0.016 0.000 2.083 501 R HA -0.117 4.223 4.340 -0.000 0.000 0.237 501 R C 2.519 178.815 176.300 -0.007 0.000 1.137 501 R CA 1.871 57.971 56.100 -0.000 0.000 0.951 501 R CB -0.403 29.894 30.300 -0.006 0.000 0.851 501 R HN 0.233 nan 8.270 nan 0.000 0.434 502 S N 0.571 116.288 115.700 0.028 0.000 2.354 502 S HA -0.165 4.305 4.470 -0.000 0.000 0.219 502 S C 2.076 176.770 174.600 0.157 0.000 1.035 502 S CA 1.266 59.517 58.200 0.083 0.000 1.037 502 S CB -0.514 62.797 63.200 0.186 0.000 0.956 502 S HN 0.600 nan 8.310 nan 0.000 0.428 503 A N 1.345 124.247 122.820 0.137 0.000 1.915 503 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 503 A C 2.179 179.820 177.584 0.096 0.000 1.198 503 A CA 1.980 54.091 52.037 0.124 0.000 0.647 503 A CB -0.945 18.094 19.000 0.066 0.000 0.825 503 A HN 0.412 nan 8.150 nan 0.000 0.456 504 L N -0.292 120.959 121.223 0.046 0.000 2.005 504 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 504 L C 2.679 179.547 176.870 -0.004 0.000 1.072 504 L CA 2.417 57.269 54.840 0.021 0.000 0.744 504 L CB -0.740 41.322 42.059 0.005 0.000 0.895 504 L HN 0.519 nan 8.230 nan 0.000 0.433 505 Q N -1.503 118.258 119.800 -0.065 0.000 2.096 505 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 505 Q C 2.217 178.117 176.000 -0.167 0.000 0.982 505 Q CA 2.132 57.841 55.803 -0.157 0.000 0.850 505 Q CB -0.518 28.048 28.738 -0.287 0.000 0.901 505 Q HN 0.518 nan 8.270 nan 0.000 0.422 506 Y N 0.573 120.873 120.300 0.000 0.000 2.133 506 Y HA -0.167 4.383 4.550 -0.000 0.000 0.287 506 Y C 2.564 178.464 175.900 0.000 0.000 1.134 506 Y CA 0.917 59.017 58.100 -0.000 0.000 1.133 506 Y CB -0.871 37.587 38.460 -0.002 0.000 0.987 506 Y HN 0.127 nan 8.280 nan 0.000 0.502 507 A N 0.208 123.126 122.820 0.164 0.000 1.873 507 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 507 A C 2.477 180.098 177.584 0.062 0.000 1.193 507 A CA 2.397 54.490 52.037 0.092 0.000 0.629 507 A CB -1.423 17.615 19.000 0.063 0.000 0.826 507 A HN 0.421 nan 8.150 nan 0.000 0.447 508 A N -0.978 121.865 122.820 0.039 0.000 1.978 508 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 508 A C 2.439 180.037 177.584 0.023 0.000 1.170 508 A CA 2.270 54.319 52.037 0.019 0.000 0.636 508 A CB -0.915 18.084 19.000 -0.001 0.000 0.810 508 A HN 0.602 nan 8.150 nan 0.000 0.448 509 S N -0.894 114.827 115.700 0.035 0.000 2.343 509 S HA -0.149 4.321 4.470 -0.000 0.000 0.219 509 S C 2.008 176.638 174.600 0.049 0.000 1.033 509 S CA 1.778 60.002 58.200 0.041 0.000 1.014 509 S CB -0.645 62.599 63.200 0.073 0.000 0.915 509 S HN 0.686 nan 8.310 nan 0.000 0.435 510 V N 1.933 121.886 119.914 0.066 0.000 2.407 510 V HA -0.021 4.099 4.120 -0.000 0.000 0.248 510 V C 2.537 178.652 176.094 0.035 0.000 1.055 510 V CA 2.128 64.458 62.300 0.050 0.000 1.049 510 V CB -1.203 30.650 31.823 0.050 0.000 0.662 510 V HN 0.586 nan 8.190 nan 0.000 0.455 511 A N 0.267 123.107 122.820 0.033 0.000 1.883 511 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 511 A C 2.395 179.991 177.584 0.020 0.000 1.186 511 A CA 2.159 54.211 52.037 0.024 0.000 0.624 511 A CB -1.580 17.433 19.000 0.022 0.000 0.822 511 A HN 0.694 nan 8.150 nan 0.000 0.444 512 G N -0.170 108.642 108.800 0.020 0.000 2.459 512 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 512 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 512 G C 1.575 176.486 174.900 0.018 0.000 1.183 512 G CA 1.078 46.187 45.100 0.016 0.000 0.776 512 G HN 0.435 nan 8.290 nan 0.000 0.552 513 L N -0.284 120.951 121.223 0.021 0.000 2.013 513 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 513 L C 3.146 180.028 176.870 0.020 0.000 1.073 513 L CA 1.514 56.367 54.840 0.021 0.000 0.753 513 L CB -0.379 41.695 42.059 0.025 0.000 0.890 513 L HN 0.248 nan 8.230 nan 0.000 0.432 514 M N -0.666 118.946 119.600 0.020 0.000 2.117 514 M HA -0.213 4.267 4.480 -0.000 0.000 0.262 514 M C 2.267 178.577 176.300 0.016 0.000 1.065 514 M CA 1.769 57.080 55.300 0.018 0.000 1.114 514 M CB -0.324 32.288 32.600 0.019 0.000 1.361 514 M HN 0.192 nan 8.290 nan 0.000 0.408 515 I N -0.096 120.483 120.570 0.015 0.000 2.530 515 I HA -0.214 3.956 4.170 -0.000 0.000 0.257 515 I C 1.677 177.802 176.117 0.014 0.000 1.179 515 I CA 1.398 62.706 61.300 0.013 0.000 1.440 515 I CB -0.697 37.310 38.000 0.012 0.000 1.087 515 I HN 0.409 nan 8.210 nan 0.000 0.440 516 T N -3.131 111.433 114.554 0.016 0.000 3.251 516 T HA 0.180 4.530 4.350 -0.000 0.000 0.259 516 T C 0.445 175.158 174.700 0.021 0.000 0.998 516 T CA -0.338 61.772 62.100 0.018 0.000 0.905 516 T CB -0.329 68.549 68.868 0.017 0.000 1.067 516 T HN -0.066 nan 8.240 nan 0.000 0.569 517 T N 1.829 116.395 114.554 0.020 0.000 2.867 517 T HA 0.403 4.753 4.350 -0.000 0.000 0.282 517 T C 0.477 175.193 174.700 0.027 0.000 1.000 517 T CA -0.600 61.513 62.100 0.021 0.000 1.042 517 T CB 1.806 70.683 68.868 0.015 0.000 0.973 517 T HN 0.071 nan 8.240 nan 0.000 0.465 518 E N 0.206 120.430 120.200 0.041 0.000 2.541 518 E HA 0.198 4.548 4.350 -0.000 0.000 0.219 518 E C -0.236 176.416 176.600 0.088 0.000 0.922 518 E CA 0.074 56.521 56.400 0.078 0.000 1.095 518 E CB 0.844 30.610 29.700 0.109 0.000 1.112 518 E HN 0.561 nan 8.360 nan 0.000 0.516 519 C N 0.745 120.043 119.300 -0.004 0.000 2.891 519 C HA 0.650 5.110 4.460 -0.000 0.000 0.342 519 C C -1.334 173.563 174.990 -0.155 0.000 1.126 519 C CA -0.578 58.332 59.018 -0.180 0.000 1.322 519 C CB 0.395 28.032 27.740 -0.171 0.000 1.763 519 C HN 0.120 nan 8.230 nan 0.000 0.491 520 M N 5.160 124.639 119.600 -0.202 0.000 2.321 520 M HA 0.611 5.091 4.480 -0.000 0.000 0.315 520 M C -1.037 175.295 176.300 0.054 0.000 1.052 520 M CA -0.575 54.724 55.300 -0.001 0.000 0.936 520 M CB 2.090 34.781 32.600 0.152 0.000 1.639 520 M HN 0.395 nan 8.290 nan 0.000 0.433 521 V N 1.626 121.568 119.914 0.045 0.000 2.487 521 V HA 0.781 4.901 4.120 -0.000 0.000 0.298 521 V C -0.311 175.764 176.094 -0.031 0.000 1.028 521 V CA -0.309 62.002 62.300 0.018 0.000 0.860 521 V CB 2.116 33.927 31.823 -0.020 0.000 0.991 521 V HN 0.962 nan 8.190 nan 0.000 0.427 522 T N 2.389 116.883 114.554 -0.100 0.000 2.762 522 T HA 0.396 4.746 4.350 -0.000 0.000 0.301 522 T C -1.384 173.209 174.700 -0.178 0.000 1.299 522 T CA -0.573 61.403 62.100 -0.207 0.000 1.005 522 T CB 1.817 70.417 68.868 -0.447 0.000 1.377 522 T HN 0.653 nan 8.240 nan 0.000 0.504 523 D N 1.179 121.480 120.400 -0.165 0.000 2.362 523 D HA 0.415 5.055 4.640 -0.000 0.000 0.242 523 D C -0.346 175.880 176.300 -0.124 0.000 1.132 523 D CA -0.185 53.746 54.000 -0.114 0.000 0.907 523 D CB 0.452 41.199 40.800 -0.087 0.000 1.195 523 D HN 0.194 nan 8.370 nan 0.000 0.429 524 L N 3.366 124.548 121.223 -0.069 0.000 2.331 524 L HA 0.313 4.653 4.340 -0.000 0.000 0.278 524 L C -1.588 175.255 176.870 -0.046 0.000 1.106 524 L CA -1.268 53.544 54.840 -0.046 0.000 0.824 524 L CB 0.032 42.082 42.059 -0.016 0.000 1.142 524 L HN 0.416 nan 8.230 nan 0.000 0.443 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.080 63.100 -0.033 0.000 0.800 525 P CB 0.000 31.684 31.700 -0.026 0.000 0.726