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 1mnf_1_H DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK 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 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 0.938 123.758 122.820 -0.001 0.000 2.540 3 A HA 0.522 4.842 4.320 -0.001 0.000 0.239 3 A C 0.232 177.817 177.584 0.002 0.000 1.061 3 A CA 0.392 52.432 52.037 0.005 0.000 0.758 3 A CB -0.123 18.883 19.000 0.010 0.000 0.991 3 A HN 0.604 nan 8.150 nan 0.000 0.502 4 K N 1.163 121.568 120.400 0.009 0.000 2.185 4 K HA 0.444 4.764 4.320 -0.001 0.000 0.240 4 K C -1.170 175.452 176.600 0.036 0.000 0.983 4 K CA -0.695 55.596 56.287 0.007 0.000 0.873 4 K CB 1.421 33.922 32.500 0.003 0.000 1.118 4 K HN 0.718 nan 8.250 nan 0.000 0.441 5 D N 0.998 121.433 120.400 0.059 0.000 2.381 5 D HA 0.290 4.930 4.640 -0.001 0.000 0.235 5 D C -1.295 175.141 176.300 0.227 0.000 1.068 5 D CA -0.592 53.499 54.000 0.152 0.000 0.832 5 D CB 1.162 42.093 40.800 0.218 0.000 1.101 5 D HN 0.054 nan 8.370 nan 0.000 0.515 6 V N 4.913 124.896 119.914 0.116 0.000 2.384 6 V HA 0.406 4.525 4.120 -0.001 0.000 0.287 6 V C 0.395 176.371 176.094 -0.197 0.000 1.020 6 V CA -0.733 61.547 62.300 -0.034 0.000 0.850 6 V CB 1.484 33.241 31.823 -0.109 0.000 0.987 6 V HN 0.370 nan 8.190 nan 0.000 0.436 7 K N 3.659 123.838 120.400 -0.368 0.000 2.208 7 K HA 0.741 5.061 4.320 -0.001 0.000 0.247 7 K C -1.411 174.852 176.600 -0.562 0.000 0.953 7 K CA -0.498 55.503 56.287 -0.476 0.000 0.837 7 K CB 2.264 34.273 32.500 -0.817 0.000 1.131 7 K HN 0.423 nan 8.250 nan 0.000 0.431 8 F N -0.766 119.115 119.950 -0.115 0.000 2.631 8 F HA 0.317 4.844 4.527 -0.001 0.000 0.328 8 F C 1.435 177.195 175.800 -0.066 0.000 1.067 8 F CA 0.009 57.970 58.000 -0.065 0.000 0.969 8 F CB 1.180 40.155 39.000 -0.042 0.000 1.332 8 F HN 0.812 nan 8.300 nan 0.000 0.490 9 G N 1.394 110.320 108.800 0.210 0.000 2.738 9 G HA2 -0.488 3.471 3.960 -0.001 0.000 0.391 9 G HA3 -0.488 3.471 3.960 -0.001 0.000 0.391 9 G C 1.461 176.384 174.900 0.037 0.000 1.049 9 G CA 1.310 46.468 45.100 0.096 0.000 0.855 9 G HN 0.776 nan 8.290 nan 0.000 0.757 10 N N 0.843 119.557 118.700 0.024 0.000 2.104 10 N HA -0.144 4.595 4.740 -0.001 0.000 0.190 10 N C 1.786 177.284 175.510 -0.021 0.000 1.024 10 N CA 2.160 55.211 53.050 0.002 0.000 0.853 10 N CB -0.377 38.110 38.487 0.000 0.000 1.008 10 N HN 0.519 nan 8.380 nan 0.000 0.424 11 D N 0.740 121.121 120.400 -0.032 0.000 2.104 11 D HA -0.109 4.531 4.640 -0.001 0.000 0.194 11 D C 1.862 178.080 176.300 -0.136 0.000 0.994 11 D CA 1.255 55.205 54.000 -0.084 0.000 0.830 11 D CB -0.486 40.252 40.800 -0.104 0.000 0.959 11 D HN 0.402 nan 8.370 nan 0.000 0.452 12 A N 1.084 123.822 122.820 -0.137 0.000 1.902 12 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 12 A C 2.215 179.763 177.584 -0.060 0.000 1.181 12 A CA 1.347 53.293 52.037 -0.152 0.000 0.623 12 A CB -0.431 18.502 19.000 -0.112 0.000 0.818 12 A HN 0.118 nan 8.150 nan 0.000 0.443 13 R N -0.438 120.044 120.500 -0.030 0.000 2.073 13 R HA -0.126 4.213 4.340 -0.001 0.000 0.234 13 R C 2.249 178.545 176.300 -0.007 0.000 1.134 13 R CA 1.765 57.860 56.100 -0.008 0.000 0.952 13 R CB -0.823 29.477 30.300 0.000 0.000 0.850 13 R HN 0.607 nan 8.270 nan 0.000 0.433 14 V N -0.011 119.893 119.914 -0.017 0.000 2.392 14 V HA -0.214 3.906 4.120 -0.001 0.000 0.249 14 V C 1.964 178.056 176.094 -0.002 0.000 1.059 14 V CA 1.533 63.828 62.300 -0.010 0.000 1.051 14 V CB -0.420 31.393 31.823 -0.016 0.000 0.658 14 V HN 0.107 nan 8.190 nan 0.000 0.455 15 K N 0.178 120.572 120.400 -0.010 0.000 2.009 15 K HA -0.061 4.259 4.320 -0.001 0.000 0.210 15 K C 2.285 178.915 176.600 0.050 0.000 1.049 15 K CA 2.268 58.572 56.287 0.028 0.000 0.929 15 K CB -0.630 31.896 32.500 0.043 0.000 0.714 15 K HN 0.551 nan 8.250 nan 0.000 0.440 16 M N 0.413 120.040 119.600 0.045 0.000 2.080 16 M HA -0.204 4.275 4.480 -0.001 0.000 0.260 16 M C 2.312 178.629 176.300 0.029 0.000 1.068 16 M CA 1.224 56.551 55.300 0.044 0.000 1.109 16 M CB -0.489 32.133 32.600 0.037 0.000 1.342 16 M HN 0.045 nan 8.290 nan 0.000 0.405 17 L N 0.701 121.936 121.223 0.020 0.000 1.990 17 L HA -0.241 4.099 4.340 -0.001 0.000 0.213 17 L C 2.456 179.335 176.870 0.015 0.000 1.072 17 L CA 1.998 56.847 54.840 0.015 0.000 0.755 17 L CB -0.546 41.519 42.059 0.010 0.000 0.889 17 L HN 0.168 nan 8.230 nan 0.000 0.432 18 R N -0.674 119.837 120.500 0.017 0.000 2.091 18 R HA -0.129 4.210 4.340 -0.001 0.000 0.238 18 R C 2.219 178.529 176.300 0.018 0.000 1.136 18 R CA 1.210 57.320 56.100 0.017 0.000 0.959 18 R CB -1.026 29.285 30.300 0.020 0.000 0.856 18 R HN 0.623 nan 8.270 nan 0.000 0.437 19 G N 0.705 109.520 108.800 0.025 0.000 2.421 19 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.216 19 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.216 19 G C 1.475 176.383 174.900 0.013 0.000 1.171 19 G CA 1.039 46.152 45.100 0.021 0.000 0.775 19 G HN 0.336 nan 8.290 nan 0.000 0.543 20 V N -0.382 119.540 119.914 0.014 0.000 2.809 20 V HA -0.046 4.073 4.120 -0.001 0.000 0.256 20 V C 2.127 178.225 176.094 0.007 0.000 1.080 20 V CA 1.994 64.299 62.300 0.010 0.000 1.102 20 V CB -0.484 31.346 31.823 0.011 0.000 0.705 20 V HN 0.192 nan 8.190 nan 0.000 0.475 21 N N 0.958 119.662 118.700 0.008 0.000 2.188 21 N HA -0.070 4.669 4.740 -0.001 0.000 0.184 21 N C 1.807 177.319 175.510 0.004 0.000 1.018 21 N CA 1.742 54.796 53.050 0.006 0.000 0.858 21 N CB -0.305 38.185 38.487 0.006 0.000 0.989 21 N HN 0.510 nan 8.380 nan 0.000 0.426 22 V N 1.562 121.479 119.914 0.004 0.000 2.358 22 V HA -0.170 3.950 4.120 -0.001 0.000 0.246 22 V C 2.365 178.459 176.094 -0.001 0.000 1.047 22 V CA 0.964 63.265 62.300 0.001 0.000 1.035 22 V CB -0.528 31.296 31.823 0.001 0.000 0.658 22 V HN 0.177 nan 8.190 nan 0.000 0.452 23 L N 1.136 122.358 121.223 -0.001 0.000 1.943 23 L HA -0.112 4.227 4.340 -0.001 0.000 0.215 23 L C 2.509 179.377 176.870 -0.003 0.000 1.074 23 L CA 2.663 57.501 54.840 -0.004 0.000 0.759 23 L CB -1.257 40.800 42.059 -0.004 0.000 0.888 23 L HN 0.207 nan 8.230 nan 0.000 0.433 24 A N -0.684 122.136 122.820 -0.001 0.000 1.892 24 A HA -0.283 4.036 4.320 -0.001 0.000 0.218 24 A C 2.013 179.597 177.584 -0.001 0.000 1.188 24 A CA 2.163 54.200 52.037 0.000 0.000 0.631 24 A CB -1.196 17.805 19.000 0.003 0.000 0.822 24 A HN 0.648 nan 8.150 nan 0.000 0.447 25 D N -0.128 120.271 120.400 -0.000 0.000 2.149 25 D HA -0.080 4.559 4.640 -0.001 0.000 0.198 25 D C 2.149 178.448 176.300 -0.002 0.000 0.990 25 D CA 1.577 55.577 54.000 -0.001 0.000 0.839 25 D CB -0.391 40.409 40.800 -0.000 0.000 0.948 25 D HN 0.472 nan 8.370 nan 0.000 0.460 26 A N 0.168 122.986 122.820 -0.004 0.000 1.929 26 A HA -0.055 4.264 4.320 -0.001 0.000 0.216 26 A C 2.470 180.051 177.584 -0.006 0.000 1.176 26 A CA 0.819 52.853 52.037 -0.005 0.000 0.628 26 A CB -0.422 18.574 19.000 -0.007 0.000 0.816 26 A HN 0.147 nan 8.150 nan 0.000 0.444 27 V N 1.175 121.085 119.914 -0.006 0.000 2.407 27 V HA -0.200 3.920 4.120 -0.001 0.000 0.245 27 V C 2.480 178.571 176.094 -0.004 0.000 1.041 27 V CA 2.061 64.357 62.300 -0.006 0.000 1.040 27 V CB -0.557 31.261 31.823 -0.008 0.000 0.671 27 V HN 0.833 nan 8.190 nan 0.000 0.455 28 K N 1.465 121.864 120.400 -0.002 0.000 2.442 28 K HA -0.110 4.210 4.320 -0.001 0.000 0.198 28 K C 1.743 178.342 176.600 -0.001 0.000 1.044 28 K CA 1.709 57.996 56.287 -0.001 0.000 0.948 28 K CB -0.648 31.852 32.500 0.000 0.000 0.762 28 K HN 0.495 nan 8.250 nan 0.000 0.472 29 V N -0.225 119.688 119.914 -0.002 0.000 2.913 29 V HA -0.140 3.980 4.120 -0.001 0.000 0.260 29 V C 2.172 178.265 176.094 -0.001 0.000 1.098 29 V CA 1.711 64.010 62.300 -0.001 0.000 1.121 29 V CB -1.019 30.803 31.823 -0.002 0.000 0.714 29 V HN 0.552 nan 8.190 nan 0.000 0.487 30 T N -2.441 112.112 114.554 -0.002 0.000 3.065 30 T HA 0.232 4.581 4.350 -0.001 0.000 0.252 30 T C 0.625 175.324 174.700 -0.002 0.000 1.099 30 T CA -0.116 61.983 62.100 -0.003 0.000 1.063 30 T CB -0.254 68.611 68.868 -0.004 0.000 0.948 30 T HN 0.340 nan 8.240 nan 0.000 0.506 31 L N 2.718 123.940 121.223 -0.001 0.000 2.499 31 L HA 0.483 4.823 4.340 -0.001 0.000 0.273 31 L C 0.940 177.812 176.870 0.002 0.000 1.195 31 L CA 1.712 56.553 54.840 0.001 0.000 0.882 31 L CB -0.621 41.439 42.059 0.003 0.000 1.133 31 L HN 0.746 nan 8.230 nan 0.000 0.483 32 G N 4.308 113.109 108.800 0.001 0.000 2.746 32 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.685 32 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.685 32 G C -1.923 172.974 174.900 -0.005 0.000 1.350 32 G CA -0.305 44.796 45.100 0.001 0.000 0.837 32 G HN 0.603 nan 8.290 nan 0.000 0.564 33 P HA 0.021 nan 4.420 nan 0.000 0.226 33 P C 0.831 178.124 177.300 -0.012 0.000 1.153 33 P CA 1.092 64.182 63.100 -0.017 0.000 0.777 33 P CB 0.162 31.843 31.700 -0.033 0.000 0.794 34 K N 0.300 120.698 120.400 -0.004 0.000 2.498 34 K HA 0.261 4.580 4.320 -0.001 0.000 0.207 34 K C 1.053 177.654 176.600 0.002 0.000 1.033 34 K CA -0.248 56.039 56.287 -0.000 0.000 1.138 34 K CB 0.228 32.732 32.500 0.007 0.000 0.860 34 K HN 0.046 nan 8.250 nan 0.000 0.490 35 G N 1.639 110.439 108.800 -0.000 0.000 2.484 35 G HA2 0.027 3.987 3.960 -0.001 0.000 0.235 35 G HA3 0.027 3.987 3.960 -0.001 0.000 0.235 35 G C 0.162 175.061 174.900 -0.001 0.000 1.282 35 G CA -0.316 44.784 45.100 -0.000 0.000 0.857 35 G HN 0.075 nan 8.290 nan 0.000 0.571 36 R N 0.857 121.356 120.500 -0.001 0.000 2.553 36 R HA 0.223 4.562 4.340 -0.001 0.000 0.263 36 R C 0.029 176.327 176.300 -0.003 0.000 1.066 36 R CA -0.774 55.325 56.100 -0.001 0.000 1.135 36 R CB 0.463 30.763 30.300 -0.001 0.000 1.148 36 R HN 0.644 nan 8.270 nan 0.000 0.558 37 N N -0.837 117.862 118.700 -0.003 0.000 2.524 37 N HA 0.295 5.034 4.740 -0.001 0.000 0.283 37 N C -0.936 174.572 175.510 -0.004 0.000 1.142 37 N CA -0.387 52.661 53.050 -0.003 0.000 0.984 37 N CB 1.325 39.811 38.487 -0.003 0.000 1.155 37 N HN 0.080 nan 8.380 nan 0.000 0.467 38 V N 2.105 122.016 119.914 -0.005 0.000 2.540 38 V HA 0.338 4.457 4.120 -0.001 0.000 0.302 38 V C -0.446 175.643 176.094 -0.007 0.000 1.035 38 V CA -0.773 61.523 62.300 -0.006 0.000 0.873 38 V CB 1.877 33.695 31.823 -0.007 0.000 0.992 38 V HN 0.326 nan 8.190 nan 0.000 0.428 39 V N 6.491 126.400 119.914 -0.008 0.000 2.350 39 V HA 0.439 4.559 4.120 -0.001 0.000 0.276 39 V C -0.166 175.921 176.094 -0.012 0.000 1.028 39 V CA -0.399 61.895 62.300 -0.009 0.000 0.860 39 V CB 1.217 33.035 31.823 -0.008 0.000 0.990 39 V HN 0.595 nan 8.190 nan 0.000 0.453 40 L N 3.926 125.142 121.223 -0.012 0.000 2.287 40 L HA 0.509 4.848 4.340 -0.001 0.000 0.287 40 L C 0.052 176.911 176.870 -0.019 0.000 1.022 40 L CA -0.508 54.322 54.840 -0.016 0.000 0.814 40 L CB 1.508 43.558 42.059 -0.015 0.000 1.217 40 L HN 0.530 nan 8.230 nan 0.000 0.420 41 D N 3.210 123.594 120.400 -0.025 0.000 2.357 41 D HA 0.261 4.901 4.640 -0.001 0.000 0.242 41 D C -0.507 175.769 176.300 -0.040 0.000 1.153 41 D CA 0.238 54.218 54.000 -0.033 0.000 0.918 41 D CB 0.943 41.718 40.800 -0.041 0.000 1.181 41 D HN 0.342 nan 8.370 nan 0.000 0.435 42 K N -0.091 120.280 120.400 -0.049 0.000 2.435 42 K HA 0.234 4.554 4.320 -0.001 0.000 0.251 42 K C 0.983 177.509 176.600 -0.123 0.000 0.954 42 K CA -0.588 55.666 56.287 -0.056 0.000 0.820 42 K CB 1.810 34.301 32.500 -0.015 0.000 1.292 42 K HN 0.416 nan 8.250 nan 0.000 0.436 43 S N 0.888 116.477 115.700 -0.185 0.000 2.382 43 S HA -0.045 4.425 4.470 -0.001 0.000 0.228 43 S C 0.345 174.508 174.600 -0.728 0.000 1.027 43 S CA 0.864 58.786 58.200 -0.463 0.000 0.991 43 S CB -0.219 62.697 63.200 -0.472 0.000 0.823 43 S HN 0.405 nan 8.310 nan 0.000 0.469 44 F N 1.149 121.096 119.950 -0.004 0.000 2.562 44 F HA 0.696 5.222 4.527 -0.001 0.000 0.319 44 F C 0.791 176.589 175.800 -0.003 0.000 1.154 44 F CA -0.011 57.987 58.000 -0.003 0.000 0.931 44 F CB 1.777 40.775 39.000 -0.003 0.000 1.198 44 F HN 0.465 nan 8.300 nan 0.000 0.444 45 G N 1.342 110.245 108.800 0.171 0.000 2.297 45 G HA2 0.438 4.397 3.960 -0.001 0.000 0.209 45 G HA3 0.438 4.397 3.960 -0.001 0.000 0.209 45 G C -1.648 173.283 174.900 0.052 0.000 1.267 45 G CA -0.390 44.768 45.100 0.097 0.000 1.127 45 G HN 1.064 nan 8.290 nan 0.000 0.498 46 A N 0.615 123.456 122.820 0.035 0.000 2.312 46 A HA 0.891 5.210 4.320 -0.001 0.000 0.326 46 A C -1.952 175.639 177.584 0.011 0.000 1.172 46 A CA -0.898 51.150 52.037 0.019 0.000 0.821 46 A CB 0.511 19.521 19.000 0.017 0.000 1.166 46 A HN 0.641 nan 8.150 nan 0.000 0.493 47 P HA 0.175 nan 4.420 nan 0.000 0.269 47 P C -0.222 177.077 177.300 -0.001 0.000 1.211 47 P CA 0.261 63.358 63.100 -0.004 0.000 0.781 47 P CB 0.341 32.037 31.700 -0.007 0.000 0.877 48 T N 2.106 116.658 114.554 -0.004 0.000 2.799 48 T HA 0.478 4.828 4.350 -0.001 0.000 0.286 48 T C 0.232 174.930 174.700 -0.004 0.000 0.973 48 T CA -0.219 61.880 62.100 -0.002 0.000 1.035 48 T CB 0.036 68.901 68.868 -0.004 0.000 0.932 48 T HN 0.174 nan 8.240 nan 0.000 0.469 49 I N 3.041 123.609 120.570 -0.002 0.000 2.355 49 I HA 0.428 4.598 4.170 -0.001 0.000 0.288 49 I C 0.422 176.537 176.117 -0.003 0.000 0.999 49 I CA -0.396 60.903 61.300 -0.003 0.000 1.163 49 I CB 1.544 39.542 38.000 -0.002 0.000 1.316 49 I HN 0.509 nan 8.210 nan 0.000 0.454 50 T N 4.547 119.098 114.554 -0.004 0.000 2.896 50 T HA 0.416 4.765 4.350 -0.001 0.000 0.297 50 T C 0.022 174.719 174.700 -0.005 0.000 1.108 50 T CA -0.579 61.518 62.100 -0.005 0.000 1.004 50 T CB 1.747 70.612 68.868 -0.006 0.000 1.159 50 T HN 0.622 nan 8.240 nan 0.000 0.499 51 K N 1.445 121.842 120.400 -0.005 0.000 2.478 51 K HA 0.192 4.512 4.320 -0.001 0.000 0.205 51 K C -0.676 175.921 176.600 -0.006 0.000 1.033 51 K CA -0.238 56.047 56.287 -0.005 0.000 1.091 51 K CB 0.491 32.988 32.500 -0.004 0.000 0.844 51 K HN 0.449 nan 8.250 nan 0.000 0.507 52 D N 0.340 120.736 120.400 -0.006 0.000 2.441 52 D HA 0.101 4.741 4.640 -0.001 0.000 0.221 52 D C 1.260 177.554 176.300 -0.010 0.000 1.156 52 D CA -0.133 53.862 54.000 -0.008 0.000 0.896 52 D CB 1.040 41.836 40.800 -0.008 0.000 1.028 52 D HN 0.219 nan 8.370 nan 0.000 0.509 53 G N 2.411 111.204 108.800 -0.011 0.000 2.503 53 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.221 53 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.221 53 G C 1.529 176.419 174.900 -0.016 0.000 1.131 53 G CA 0.882 45.975 45.100 -0.012 0.000 0.756 53 G HN 0.484 nan 8.290 nan 0.000 0.572 54 V N 0.844 120.746 119.914 -0.019 0.000 2.343 54 V HA -0.178 3.941 4.120 -0.001 0.000 0.247 54 V C 3.091 179.172 176.094 -0.022 0.000 1.051 54 V CA 2.203 64.488 62.300 -0.025 0.000 1.036 54 V CB -0.508 31.297 31.823 -0.029 0.000 0.654 54 V HN 0.384 nan 8.190 nan 0.000 0.451 55 S N -0.070 115.619 115.700 -0.018 0.000 2.368 55 S HA -0.168 4.301 4.470 -0.001 0.000 0.225 55 S C 2.015 176.605 174.600 -0.017 0.000 1.030 55 S CA 1.543 59.733 58.200 -0.017 0.000 0.999 55 S CB -0.228 62.964 63.200 -0.013 0.000 0.844 55 S HN 0.400 nan 8.310 nan 0.000 0.459 56 V N 2.154 122.058 119.914 -0.016 0.000 2.261 56 V HA -0.205 3.915 4.120 -0.001 0.000 0.246 56 V C 2.701 178.784 176.094 -0.018 0.000 1.047 56 V CA 1.677 63.968 62.300 -0.015 0.000 1.015 56 V CB -1.355 30.460 31.823 -0.013 0.000 0.642 56 V HN 0.539 nan 8.190 nan 0.000 0.446 57 A N -0.134 122.674 122.820 -0.019 0.000 1.917 57 A HA -0.318 4.001 4.320 -0.001 0.000 0.219 57 A C 2.426 179.995 177.584 -0.024 0.000 1.182 57 A CA 2.333 54.357 52.037 -0.021 0.000 0.633 57 A CB -0.679 18.306 19.000 -0.024 0.000 0.819 57 A HN 0.467 nan 8.150 nan 0.000 0.448 58 R N -0.635 119.850 120.500 -0.025 0.000 2.127 58 R HA -0.135 4.204 4.340 -0.001 0.000 0.238 58 R C 1.378 177.662 176.300 -0.027 0.000 1.134 58 R CA 1.504 57.587 56.100 -0.028 0.000 0.975 58 R CB -0.108 30.175 30.300 -0.028 0.000 0.865 58 R HN 0.487 nan 8.270 nan 0.000 0.447 59 E N 0.201 120.387 120.200 -0.024 0.000 2.435 59 E HA -0.011 4.338 4.350 -0.001 0.000 0.195 59 E C 0.245 176.831 176.600 -0.023 0.000 1.029 59 E CA 0.193 56.578 56.400 -0.024 0.000 0.865 59 E CB 0.207 29.894 29.700 -0.022 0.000 0.833 59 E HN 0.230 nan 8.360 nan 0.000 0.510 60 I N 2.075 122.632 120.570 -0.022 0.000 2.436 60 I HA 0.126 4.295 4.170 -0.001 0.000 0.289 60 I C 0.340 176.445 176.117 -0.021 0.000 1.083 60 I CA 0.246 61.534 61.300 -0.020 0.000 1.372 60 I CB 0.015 38.005 38.000 -0.016 0.000 1.408 60 I HN -0.070 nan 8.210 nan 0.000 0.516 61 E N 7.096 127.283 120.200 -0.021 0.000 2.287 61 E HA 0.465 4.815 4.350 -0.001 0.000 0.274 61 E C -1.567 175.021 176.600 -0.021 0.000 0.896 61 E CA -0.576 55.810 56.400 -0.024 0.000 0.788 61 E CB 1.931 31.615 29.700 -0.027 0.000 1.244 61 E HN 0.442 nan 8.360 nan 0.000 0.408 62 L N 3.349 124.560 121.223 -0.019 0.000 2.360 62 L HA 0.357 4.697 4.340 -0.001 0.000 0.271 62 L C 1.551 178.410 176.870 -0.019 0.000 1.057 62 L CA -0.362 54.470 54.840 -0.014 0.000 0.803 62 L CB 1.398 43.454 42.059 -0.005 0.000 1.207 62 L HN 0.745 nan 8.230 nan 0.000 0.445 63 E N 0.867 121.060 120.200 -0.013 0.000 2.072 63 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 63 E C 0.546 177.137 176.600 -0.015 0.000 0.985 63 E CA 0.608 56.999 56.400 -0.015 0.000 0.801 63 E CB 0.253 29.948 29.700 -0.008 0.000 0.750 63 E HN 0.648 nan 8.360 nan 0.000 0.452 64 D N 0.717 121.119 120.400 0.003 0.000 2.358 64 D HA -0.053 4.586 4.640 -0.001 0.000 0.258 64 D C 0.621 176.912 176.300 -0.015 0.000 1.223 64 D CA 0.046 54.059 54.000 0.022 0.000 0.886 64 D CB 0.884 41.724 40.800 0.067 0.000 1.120 64 D HN 0.080 nan 8.370 nan 0.000 0.482 65 K N 3.464 123.805 120.400 -0.099 0.000 2.074 65 K HA -0.193 4.127 4.320 -0.001 0.000 0.209 65 K C 1.861 178.293 176.600 -0.280 0.000 1.048 65 K CA 1.251 57.394 56.287 -0.239 0.000 0.926 65 K CB -0.287 31.976 32.500 -0.394 0.000 0.713 65 K HN 0.481 nan 8.250 nan 0.000 0.444 66 F N 1.706 121.641 119.950 -0.025 0.000 2.163 66 F HA -0.065 4.461 4.527 -0.001 0.000 0.297 66 F C 2.414 178.201 175.800 -0.022 0.000 1.094 66 F CA 1.063 59.046 58.000 -0.028 0.000 1.290 66 F CB -0.439 38.544 39.000 -0.030 0.000 1.017 66 F HN 0.097 nan 8.300 nan 0.000 0.483 67 E N -0.117 120.178 120.200 0.158 0.000 2.110 67 E HA -0.239 4.110 4.350 -0.001 0.000 0.193 67 E C 1.806 178.429 176.600 0.038 0.000 0.988 67 E CA 1.210 57.660 56.400 0.083 0.000 0.804 67 E CB -0.316 29.422 29.700 0.062 0.000 0.745 67 E HN 0.311 nan 8.360 nan 0.000 0.458 68 N N 0.628 119.333 118.700 0.009 0.000 2.142 68 N HA -0.129 4.610 4.740 -0.001 0.000 0.186 68 N C 1.732 177.231 175.510 -0.018 0.000 1.023 68 N CA 1.151 54.191 53.050 -0.017 0.000 0.852 68 N CB 0.020 38.481 38.487 -0.043 0.000 0.998 68 N HN 0.048 nan 8.380 nan 0.000 0.424 69 M N -0.657 118.929 119.600 -0.023 0.000 2.149 69 M HA -0.048 4.432 4.480 -0.001 0.000 0.261 69 M C 2.095 178.400 176.300 0.008 0.000 1.064 69 M CA 1.638 56.928 55.300 -0.016 0.000 1.102 69 M CB -0.488 32.102 32.600 -0.016 0.000 1.369 69 M HN 0.316 nan 8.290 nan 0.000 0.408 70 G N -0.152 108.664 108.800 0.027 0.000 2.433 70 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.216 70 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.216 70 G C 1.615 176.522 174.900 0.013 0.000 1.186 70 G CA 1.012 46.128 45.100 0.027 0.000 0.779 70 G HN 0.544 nan 8.290 nan 0.000 0.543 71 A N 0.046 122.870 122.820 0.008 0.000 1.877 71 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 71 A C 2.409 179.989 177.584 -0.007 0.000 1.186 71 A CA 2.075 54.112 52.037 -0.000 0.000 0.620 71 A CB -0.439 18.558 19.000 -0.004 0.000 0.822 71 A HN 0.309 nan 8.150 nan 0.000 0.443 72 Q N -0.525 119.268 119.800 -0.011 0.000 2.181 72 Q HA -0.140 4.200 4.340 -0.001 0.000 0.205 72 Q C 2.119 178.111 176.000 -0.013 0.000 0.980 72 Q CA 1.593 57.386 55.803 -0.017 0.000 0.862 72 Q CB -0.581 28.143 28.738 -0.023 0.000 0.905 72 Q HN 0.797 nan 8.270 nan 0.000 0.429 73 M N -0.297 119.300 119.600 -0.005 0.000 2.077 73 M HA -0.126 4.354 4.480 -0.001 0.000 0.261 73 M C 2.308 178.609 176.300 0.002 0.000 1.070 73 M CA 1.517 56.817 55.300 0.000 0.000 1.125 73 M CB -0.526 32.080 32.600 0.009 0.000 1.339 73 M HN 0.175 nan 8.290 nan 0.000 0.409 74 V N -0.233 119.683 119.914 0.004 0.000 2.548 74 V HA -0.209 3.911 4.120 -0.001 0.000 0.249 74 V C 2.114 178.202 176.094 -0.009 0.000 1.055 74 V CA 1.898 64.201 62.300 0.006 0.000 1.065 74 V CB -0.655 31.174 31.823 0.010 0.000 0.681 74 V HN 0.465 nan 8.190 nan 0.000 0.462 75 K N -0.547 119.844 120.400 -0.015 0.000 2.063 75 K HA -0.223 4.097 4.320 -0.001 0.000 0.208 75 K C 2.343 178.918 176.600 -0.041 0.000 1.048 75 K CA 1.972 58.243 56.287 -0.026 0.000 0.928 75 K CB -0.168 32.317 32.500 -0.024 0.000 0.713 75 K HN 0.558 nan 8.250 nan 0.000 0.442 76 E N 0.164 120.342 120.200 -0.037 0.000 2.015 76 E HA -0.149 4.201 4.350 -0.001 0.000 0.191 76 E C 2.064 178.615 176.600 -0.082 0.000 0.991 76 E CA 1.628 57.997 56.400 -0.051 0.000 0.802 76 E CB -0.175 29.506 29.700 -0.033 0.000 0.759 76 E HN 0.317 nan 8.360 nan 0.000 0.447 77 V N -0.921 118.958 119.914 -0.057 0.000 2.667 77 V HA 0.003 4.123 4.120 -0.001 0.000 0.252 77 V C 2.252 178.238 176.094 -0.180 0.000 1.065 77 V CA 1.641 63.888 62.300 -0.087 0.000 1.083 77 V CB -0.677 31.185 31.823 0.064 0.000 0.692 77 V HN 0.171 nan 8.190 nan 0.000 0.468 78 A N 1.827 124.591 122.820 -0.094 0.000 1.902 78 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 78 A C 2.623 180.112 177.584 -0.157 0.000 1.181 78 A CA 2.485 54.470 52.037 -0.087 0.000 0.623 78 A CB -1.073 17.903 19.000 -0.040 0.000 0.818 78 A HN 0.987 nan 8.150 nan 0.000 0.443 79 S N -0.078 115.529 115.700 -0.154 0.000 2.423 79 S HA -0.162 4.307 4.470 -0.001 0.000 0.231 79 S C 1.778 176.230 174.600 -0.246 0.000 1.014 79 S CA 1.400 59.505 58.200 -0.157 0.000 0.965 79 S CB -0.407 62.725 63.200 -0.115 0.000 0.785 79 S HN 0.591 nan 8.310 nan 0.000 0.495 80 K N 1.433 121.596 120.400 -0.395 0.000 2.152 80 K HA -0.020 4.300 4.320 -0.001 0.000 0.206 80 K C 2.483 178.691 176.600 -0.653 0.000 1.048 80 K CA 1.189 57.118 56.287 -0.596 0.000 0.933 80 K CB -0.565 31.345 32.500 -0.983 0.000 0.721 80 K HN 0.549 nan 8.250 nan 0.000 0.447 81 A N 1.821 124.284 122.820 -0.595 0.000 1.845 81 A HA -0.231 4.088 4.320 -0.001 0.000 0.215 81 A C 1.918 179.440 177.584 -0.102 0.000 1.195 81 A CA 1.927 53.846 52.037 -0.197 0.000 0.616 81 A CB -0.775 18.208 19.000 -0.029 0.000 0.832 81 A HN 0.280 nan 8.150 nan 0.000 0.443 82 N N 0.106 118.734 118.700 -0.120 0.000 2.137 82 N HA -0.159 4.581 4.740 -0.001 0.000 0.190 82 N C 1.146 176.585 175.510 -0.118 0.000 1.017 82 N CA 1.704 54.693 53.050 -0.102 0.000 0.859 82 N CB -0.193 38.233 38.487 -0.102 0.000 1.002 82 N HN 0.457 nan 8.380 nan 0.000 0.428 83 D N -0.476 119.845 120.400 -0.131 0.000 2.117 83 D HA -0.050 4.590 4.640 -0.001 0.000 0.198 83 D C 1.728 177.984 176.300 -0.073 0.000 0.982 83 D CA 1.137 55.068 54.000 -0.114 0.000 0.828 83 D CB -0.403 40.326 40.800 -0.118 0.000 0.967 83 D HN 0.349 nan 8.370 nan 0.000 0.464 84 A N 0.275 123.071 122.820 -0.039 0.000 1.968 84 A HA 0.226 4.545 4.320 -0.001 0.000 0.217 84 A C 1.925 179.524 177.584 0.025 0.000 1.169 84 A CA 1.727 53.782 52.037 0.029 0.000 0.638 84 A CB 0.038 19.118 19.000 0.133 0.000 0.812 84 A HN 0.222 nan 8.150 nan 0.000 0.446 85 A N -2.812 120.011 122.820 0.006 0.000 2.628 85 A HA 0.478 4.798 4.320 -0.001 0.000 0.267 85 A C 1.483 179.054 177.584 -0.022 0.000 1.159 85 A CA 0.932 52.976 52.037 0.011 0.000 0.972 85 A CB -0.388 18.631 19.000 0.033 0.000 1.211 85 A HN 1.820 nan 8.150 nan 0.000 0.576 86 G N -0.482 108.264 108.800 -0.089 0.000 2.166 86 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.260 86 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.260 86 G C -0.147 174.696 174.900 -0.094 0.000 0.986 86 G CA 0.791 45.788 45.100 -0.172 0.000 0.683 86 G HN 0.907 nan 8.290 nan 0.000 0.527 87 D N -3.154 117.215 120.400 -0.052 0.000 2.742 87 D HA 0.560 5.199 4.640 -0.001 0.000 0.262 87 D C 0.817 177.109 176.300 -0.013 0.000 1.240 87 D CA 1.388 55.371 54.000 -0.029 0.000 0.752 87 D CB 0.332 41.127 40.800 -0.008 0.000 1.290 87 D HN 1.353 nan 8.370 nan 0.000 0.420 88 G N -0.114 108.682 108.800 -0.008 0.000 2.184 88 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.206 88 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.206 88 G C 1.052 175.951 174.900 -0.001 0.000 0.995 88 G CA 1.387 46.490 45.100 0.005 0.000 0.651 88 G HN 0.953 nan 8.290 nan 0.000 0.511 89 T N -1.497 113.044 114.554 -0.021 0.000 2.684 89 T HA -0.122 4.228 4.350 -0.001 0.000 0.267 89 T C 2.225 176.917 174.700 -0.014 0.000 1.036 89 T CA 2.638 64.721 62.100 -0.029 0.000 1.148 89 T CB -0.885 67.955 68.868 -0.047 0.000 0.863 89 T HN 0.313 nan 8.240 nan 0.000 0.436 90 T N 1.907 116.454 114.554 -0.012 0.000 2.684 90 T HA -0.125 4.224 4.350 -0.001 0.000 0.267 90 T C 2.279 176.980 174.700 0.002 0.000 1.036 90 T CA 1.955 64.052 62.100 -0.006 0.000 1.148 90 T CB -1.089 67.775 68.868 -0.006 0.000 0.863 90 T HN 0.522 nan 8.240 nan 0.000 0.436 91 T N 2.032 116.589 114.554 0.006 0.000 2.652 91 T HA -0.111 4.239 4.350 -0.001 0.000 0.267 91 T C 2.377 177.089 174.700 0.020 0.000 1.039 91 T CA 1.355 63.463 62.100 0.013 0.000 1.153 91 T CB -0.681 68.197 68.868 0.017 0.000 0.863 91 T HN 0.449 nan 8.240 nan 0.000 0.428 92 A N 1.161 123.997 122.820 0.026 0.000 1.917 92 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 92 A C 2.562 180.163 177.584 0.029 0.000 1.182 92 A CA 2.319 54.381 52.037 0.041 0.000 0.633 92 A CB -1.325 17.706 19.000 0.052 0.000 0.819 92 A HN 0.503 nan 8.150 nan 0.000 0.448 93 T N -0.347 114.216 114.554 0.014 0.000 2.708 93 T HA -0.137 4.212 4.350 -0.001 0.000 0.266 93 T C 2.011 176.717 174.700 0.011 0.000 1.037 93 T CA 2.022 64.128 62.100 0.009 0.000 1.146 93 T CB -0.722 68.146 68.868 0.000 0.000 0.865 93 T HN 0.711 nan 8.240 nan 0.000 0.435 94 V N 0.406 120.326 119.914 0.010 0.000 2.548 94 V HA 0.019 4.139 4.120 -0.001 0.000 0.249 94 V C 2.207 178.309 176.094 0.012 0.000 1.055 94 V CA 1.294 63.599 62.300 0.009 0.000 1.065 94 V CB -0.986 30.841 31.823 0.007 0.000 0.681 94 V HN 0.451 nan 8.190 nan 0.000 0.462 95 L N 0.587 121.820 121.223 0.016 0.000 2.046 95 L HA -0.051 4.289 4.340 -0.001 0.000 0.208 95 L C 3.063 179.945 176.870 0.019 0.000 1.077 95 L CA 1.731 56.582 54.840 0.018 0.000 0.747 95 L CB -0.885 41.188 42.059 0.024 0.000 0.896 95 L HN 0.467 nan 8.230 nan 0.000 0.432 96 A N -0.466 122.368 122.820 0.022 0.000 1.902 96 A HA -0.293 4.027 4.320 -0.001 0.000 0.217 96 A C 2.249 179.843 177.584 0.017 0.000 1.181 96 A CA 1.868 53.919 52.037 0.023 0.000 0.623 96 A CB -0.614 18.402 19.000 0.026 0.000 0.818 96 A HN 0.508 nan 8.150 nan 0.000 0.443 97 Q N -0.464 119.344 119.800 0.013 0.000 2.096 97 Q HA -0.149 4.190 4.340 -0.001 0.000 0.204 97 Q C 2.131 178.137 176.000 0.010 0.000 0.982 97 Q CA 1.744 57.553 55.803 0.011 0.000 0.850 97 Q CB -0.352 28.391 28.738 0.008 0.000 0.901 97 Q HN 0.599 nan 8.270 nan 0.000 0.422 98 A N 0.880 123.706 122.820 0.010 0.000 1.855 98 A HA -0.143 4.176 4.320 -0.001 0.000 0.215 98 A C 2.010 179.599 177.584 0.009 0.000 1.191 98 A CA 1.397 53.439 52.037 0.008 0.000 0.613 98 A CB -0.668 18.337 19.000 0.008 0.000 0.829 98 A HN 0.481 nan 8.150 nan 0.000 0.442 99 I N -0.279 120.297 120.570 0.011 0.000 2.179 99 I HA -0.259 3.910 4.170 -0.001 0.000 0.242 99 I C 2.355 178.478 176.117 0.010 0.000 1.088 99 I CA 1.384 62.691 61.300 0.011 0.000 1.357 99 I CB -0.447 37.560 38.000 0.012 0.000 1.051 99 I HN 0.295 nan 8.210 nan 0.000 0.409 100 I N 0.447 121.024 120.570 0.012 0.000 2.179 100 I HA -0.281 3.888 4.170 -0.001 0.000 0.242 100 I C 2.627 178.750 176.117 0.010 0.000 1.088 100 I CA 1.603 62.910 61.300 0.012 0.000 1.357 100 I CB -0.626 37.382 38.000 0.014 0.000 1.051 100 I HN 0.258 nan 8.210 nan 0.000 0.409 101 T N 0.285 114.844 114.554 0.009 0.000 2.652 101 T HA -0.179 4.171 4.350 -0.001 0.000 0.267 101 T C 1.839 176.543 174.700 0.006 0.000 1.039 101 T CA 1.403 63.507 62.100 0.007 0.000 1.153 101 T CB -0.164 68.707 68.868 0.006 0.000 0.863 101 T HN 0.289 nan 8.240 nan 0.000 0.428 102 E N 0.549 120.753 120.200 0.006 0.000 2.072 102 E HA 0.007 4.357 4.350 -0.001 0.000 0.190 102 E C 2.583 179.186 176.600 0.005 0.000 0.982 102 E CA 1.019 57.422 56.400 0.005 0.000 0.803 102 E CB -0.930 28.773 29.700 0.005 0.000 0.755 102 E HN 0.552 nan 8.360 nan 0.000 0.453 103 G N 1.576 110.380 108.800 0.007 0.000 2.469 103 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.219 103 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.219 103 G C 1.733 176.637 174.900 0.007 0.000 1.150 103 G CA 0.693 45.797 45.100 0.007 0.000 0.763 103 G HN 0.186 nan 8.290 nan 0.000 0.561 104 L N -0.295 120.932 121.223 0.007 0.000 2.141 104 L HA -0.020 4.320 4.340 -0.001 0.000 0.209 104 L C 2.960 179.833 176.870 0.005 0.000 1.094 104 L CA 1.043 55.887 54.840 0.007 0.000 0.763 104 L CB -0.288 41.775 42.059 0.007 0.000 0.908 104 L HN 0.196 nan 8.230 nan 0.000 0.437 105 K N 0.147 120.550 120.400 0.004 0.000 2.026 105 K HA -0.158 4.161 4.320 -0.001 0.000 0.208 105 K C 2.253 178.855 176.600 0.003 0.000 1.048 105 K CA 1.418 57.707 56.287 0.003 0.000 0.929 105 K CB -0.235 32.266 32.500 0.003 0.000 0.713 105 K HN 0.270 nan 8.250 nan 0.000 0.439 106 A N 0.932 123.754 122.820 0.004 0.000 1.940 106 A HA -0.140 4.179 4.320 -0.001 0.000 0.219 106 A C 2.327 179.913 177.584 0.004 0.000 1.176 106 A CA 1.513 53.552 52.037 0.003 0.000 0.631 106 A CB -0.652 18.351 19.000 0.004 0.000 0.814 106 A HN 0.089 nan 8.150 nan 0.000 0.446 107 V N -0.234 119.683 119.914 0.005 0.000 2.295 107 V HA -0.244 3.876 4.120 -0.001 0.000 0.246 107 V C 3.034 179.130 176.094 0.004 0.000 1.049 107 V CA 1.948 64.252 62.300 0.005 0.000 1.024 107 V CB -1.224 30.604 31.823 0.008 0.000 0.648 107 V HN 0.610 nan 8.190 nan 0.000 0.447 108 A N -0.101 122.721 122.820 0.003 0.000 2.019 108 A HA -0.020 4.299 4.320 -0.001 0.000 0.219 108 A C 2.213 179.797 177.584 0.001 0.000 1.164 108 A CA 1.671 53.709 52.037 0.002 0.000 0.644 108 A CB -0.561 18.440 19.000 0.001 0.000 0.805 108 A HN 0.598 nan 8.150 nan 0.000 0.449 109 A N -1.771 121.050 122.820 0.001 0.000 2.235 109 A HA 0.400 4.719 4.320 -0.001 0.000 0.208 109 A C 1.740 179.324 177.584 0.000 0.000 1.172 109 A CA 1.206 53.243 52.037 0.000 0.000 0.786 109 A CB -0.897 18.103 19.000 0.001 0.000 0.804 109 A HN 1.846 nan 8.150 nan 0.000 0.479 110 G N -1.804 106.996 108.800 0.001 0.000 2.141 110 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.231 110 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.231 110 G C 0.163 175.064 174.900 0.001 0.000 0.984 110 G CA 0.259 45.359 45.100 0.000 0.000 0.660 110 G HN 0.385 nan 8.290 nan 0.000 0.525 111 M N 0.441 120.042 119.600 0.002 0.000 2.247 111 M HA 0.248 4.727 4.480 -0.001 0.000 0.326 111 M C 0.729 177.031 176.300 0.003 0.000 1.134 111 M CA -0.579 54.722 55.300 0.002 0.000 1.136 111 M CB 0.409 33.010 32.600 0.003 0.000 1.454 111 M HN 0.123 nan 8.290 nan 0.000 0.467 112 N N 2.486 121.188 118.700 0.003 0.000 2.427 112 N HA 0.075 4.815 4.740 -0.001 0.000 0.269 112 N C -2.070 173.443 175.510 0.006 0.000 1.235 112 N CA -1.217 51.836 53.050 0.004 0.000 0.934 112 N CB 0.982 39.471 38.487 0.003 0.000 1.121 112 N HN 0.287 nan 8.380 nan 0.000 0.480 113 P HA -0.155 nan 4.420 nan 0.000 0.215 113 P C 1.689 178.994 177.300 0.008 0.000 1.157 113 P CA 1.429 64.535 63.100 0.009 0.000 0.874 113 P CB 0.200 31.908 31.700 0.013 0.000 0.790 114 M N -0.763 118.842 119.600 0.008 0.000 2.108 114 M HA -0.150 4.329 4.480 -0.001 0.000 0.261 114 M C 1.572 177.875 176.300 0.005 0.000 1.066 114 M CA 1.699 57.003 55.300 0.007 0.000 1.107 114 M CB -1.843 30.761 32.600 0.007 0.000 1.356 114 M HN -0.001 nan 8.290 nan 0.000 0.406 115 D N 0.366 120.769 120.400 0.004 0.000 2.144 115 D HA -0.036 4.604 4.640 -0.001 0.000 0.200 115 D C 2.341 178.643 176.300 0.003 0.000 0.978 115 D CA 0.882 54.884 54.000 0.003 0.000 0.833 115 D CB -0.099 40.703 40.800 0.003 0.000 0.961 115 D HN 0.330 nan 8.370 nan 0.000 0.470 116 L N 0.765 121.991 121.223 0.004 0.000 2.042 116 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 116 L C 2.532 179.405 176.870 0.004 0.000 1.076 116 L CA 1.186 56.029 54.840 0.004 0.000 0.749 116 L CB -0.309 41.753 42.059 0.005 0.000 0.893 116 L HN -0.016 nan 8.230 nan 0.000 0.432 117 K N 0.254 120.657 120.400 0.005 0.000 2.097 117 K HA -0.209 4.110 4.320 -0.001 0.000 0.205 117 K C 2.322 178.923 176.600 0.001 0.000 1.050 117 K CA 1.181 57.470 56.287 0.004 0.000 0.938 117 K CB 0.001 32.504 32.500 0.005 0.000 0.718 117 K HN 0.074 nan 8.250 nan 0.000 0.442 118 R N -0.283 120.218 120.500 0.001 0.000 2.081 118 R HA -0.093 4.247 4.340 -0.001 0.000 0.235 118 R C 2.290 178.590 176.300 -0.001 0.000 1.131 118 R CA 1.665 57.765 56.100 -0.001 0.000 0.960 118 R CB -0.485 29.815 30.300 -0.000 0.000 0.856 118 R HN 0.412 nan 8.270 nan 0.000 0.436 119 G N 0.755 109.555 108.800 0.000 0.000 2.421 119 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.216 119 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.216 119 G C 1.431 176.331 174.900 -0.000 0.000 1.171 119 G CA 0.800 45.901 45.100 0.000 0.000 0.775 119 G HN 0.239 nan 8.290 nan 0.000 0.543 120 I N 1.099 121.669 120.570 0.000 0.000 2.163 120 I HA -0.171 3.998 4.170 -0.001 0.000 0.243 120 I C 2.337 178.452 176.117 -0.004 0.000 1.085 120 I CA 1.376 62.676 61.300 -0.000 0.000 1.347 120 I CB -0.211 37.790 38.000 0.001 0.000 1.044 120 I HN 0.072 nan 8.210 nan 0.000 0.408 121 D N 0.759 121.156 120.400 -0.006 0.000 2.117 121 D HA -0.215 4.425 4.640 -0.001 0.000 0.197 121 D C 2.058 178.352 176.300 -0.010 0.000 0.987 121 D CA 1.225 55.219 54.000 -0.010 0.000 0.829 121 D CB -0.259 40.534 40.800 -0.011 0.000 0.961 121 D HN 0.297 nan 8.370 nan 0.000 0.460 122 K N 0.777 121.173 120.400 -0.007 0.000 2.057 122 K HA -0.115 4.205 4.320 -0.001 0.000 0.207 122 K C 2.031 178.628 176.600 -0.005 0.000 1.049 122 K CA 1.362 57.646 56.287 -0.006 0.000 0.931 122 K CB -0.051 32.447 32.500 -0.003 0.000 0.714 122 K HN 0.023 nan 8.250 nan 0.000 0.440 123 A N 0.540 123.358 122.820 -0.003 0.000 1.902 123 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 123 A C 2.221 179.803 177.584 -0.004 0.000 1.181 123 A CA 1.665 53.701 52.037 -0.002 0.000 0.623 123 A CB -0.598 18.402 19.000 0.000 0.000 0.818 123 A HN 0.183 nan 8.150 nan 0.000 0.443 124 V N -0.329 119.580 119.914 -0.007 0.000 2.343 124 V HA -0.221 3.899 4.120 -0.001 0.000 0.247 124 V C 2.729 178.814 176.094 -0.015 0.000 1.051 124 V CA 2.443 64.736 62.300 -0.012 0.000 1.036 124 V CB -1.326 30.486 31.823 -0.019 0.000 0.654 124 V HN 0.598 nan 8.190 nan 0.000 0.451 125 T N 0.509 115.054 114.554 -0.015 0.000 2.708 125 T HA -0.184 4.166 4.350 -0.001 0.000 0.266 125 T C 2.098 176.793 174.700 -0.009 0.000 1.037 125 T CA 1.720 63.811 62.100 -0.015 0.000 1.146 125 T CB -0.478 68.382 68.868 -0.014 0.000 0.865 125 T HN 0.574 nan 8.240 nan 0.000 0.435 126 A N 1.628 124.445 122.820 -0.006 0.000 1.865 126 A HA 0.063 4.382 4.320 -0.001 0.000 0.217 126 A C 2.683 180.267 177.584 -0.000 0.000 1.191 126 A CA 2.067 54.102 52.037 -0.002 0.000 0.623 126 A CB -1.272 17.728 19.000 -0.000 0.000 0.826 126 A HN 0.520 nan 8.150 nan 0.000 0.444 127 A N -0.722 122.097 122.820 -0.001 0.000 1.940 127 A HA -0.038 4.281 4.320 -0.001 0.000 0.219 127 A C 2.216 179.800 177.584 0.001 0.000 1.176 127 A CA 1.895 53.933 52.037 0.002 0.000 0.631 127 A CB -0.940 18.061 19.000 0.002 0.000 0.814 127 A HN 0.445 nan 8.150 nan 0.000 0.446 128 V N 0.073 119.984 119.914 -0.005 0.000 2.515 128 V HA -0.182 3.937 4.120 -0.001 0.000 0.250 128 V C 2.552 178.645 176.094 -0.002 0.000 1.058 128 V CA 2.011 64.308 62.300 -0.006 0.000 1.064 128 V CB -0.624 31.190 31.823 -0.016 0.000 0.675 128 V HN 0.497 nan 8.190 nan 0.000 0.461 129 E N -0.054 120.145 120.200 -0.002 0.000 2.047 129 E HA -0.204 4.145 4.350 -0.001 0.000 0.191 129 E C 2.236 178.839 176.600 0.005 0.000 0.987 129 E CA 1.039 57.440 56.400 0.001 0.000 0.799 129 E CB -0.210 29.490 29.700 0.001 0.000 0.752 129 E HN 0.549 nan 8.360 nan 0.000 0.449 130 E N 0.565 120.769 120.200 0.006 0.000 2.160 130 E HA -0.139 4.210 4.350 -0.001 0.000 0.195 130 E C 1.878 178.485 176.600 0.012 0.000 0.991 130 E CA 0.321 56.727 56.400 0.010 0.000 0.810 130 E CB -0.188 29.518 29.700 0.011 0.000 0.742 130 E HN 0.047 nan 8.360 nan 0.000 0.466 131 L N 0.551 121.780 121.223 0.010 0.000 2.072 131 L HA -0.079 4.260 4.340 -0.001 0.000 0.205 131 L C 1.853 178.730 176.870 0.012 0.000 1.079 131 L CA 1.740 56.587 54.840 0.012 0.000 0.752 131 L CB -0.294 41.770 42.059 0.009 0.000 0.906 131 L HN -0.001 nan 8.230 nan 0.000 0.436 132 K N -1.036 119.370 120.400 0.009 0.000 2.057 132 K HA -0.128 4.192 4.320 -0.001 0.000 0.207 132 K C 2.083 178.689 176.600 0.011 0.000 1.049 132 K CA 1.291 57.583 56.287 0.009 0.000 0.931 132 K CB -0.330 32.174 32.500 0.007 0.000 0.714 132 K HN 0.384 nan 8.250 nan 0.000 0.440 133 A N 1.481 124.308 122.820 0.011 0.000 1.877 133 A HA -0.155 4.164 4.320 -0.001 0.000 0.216 133 A C 2.086 179.679 177.584 0.015 0.000 1.186 133 A CA 1.199 53.243 52.037 0.012 0.000 0.620 133 A CB -0.668 18.339 19.000 0.012 0.000 0.822 133 A HN 0.232 nan 8.150 nan 0.000 0.443 134 L N -0.064 121.169 121.223 0.017 0.000 2.191 134 L HA -0.068 4.271 4.340 -0.001 0.000 0.212 134 L C 1.405 178.287 176.870 0.020 0.000 1.103 134 L CA 0.605 55.458 54.840 0.021 0.000 0.769 134 L CB -0.286 41.788 42.059 0.024 0.000 0.908 134 L HN 0.424 nan 8.230 nan 0.000 0.438 135 S N -0.472 115.238 115.700 0.017 0.000 2.552 135 S HA 0.087 4.556 4.470 -0.001 0.000 0.289 135 S C -0.205 174.404 174.600 0.016 0.000 1.304 135 S CA -0.462 57.748 58.200 0.016 0.000 1.063 135 S CB 0.614 63.822 63.200 0.014 0.000 0.848 135 S HN 0.033 nan 8.310 nan 0.000 0.499 136 V N 8.307 128.231 119.914 0.016 0.000 2.435 136 V HA 0.398 4.517 4.120 -0.001 0.000 0.290 136 V C -2.050 174.052 176.094 0.013 0.000 1.030 136 V CA -1.855 60.454 62.300 0.015 0.000 0.881 136 V CB 1.345 33.177 31.823 0.015 0.000 0.983 136 V HN 0.762 nan 8.190 nan 0.000 0.445 137 P HA 0.167 nan 4.420 nan 0.000 0.272 137 P C -0.588 176.718 177.300 0.010 0.000 1.230 137 P CA -0.212 62.895 63.100 0.011 0.000 0.788 137 P CB 0.465 32.171 31.700 0.010 0.000 0.949 138 C N 1.948 121.254 119.300 0.010 0.000 3.498 138 C HA 0.386 4.846 4.460 -0.001 0.000 0.218 138 C C 1.110 176.105 174.990 0.008 0.000 1.284 138 C CA 0.070 59.094 59.018 0.009 0.000 1.343 138 C CB -1.458 26.288 27.740 0.010 0.000 1.825 138 C HN 0.516 nan 8.230 nan 0.000 0.518 139 S N 1.181 116.885 115.700 0.007 0.000 2.514 139 S HA 0.103 4.572 4.470 -0.001 0.000 0.223 139 S C 0.345 174.948 174.600 0.005 0.000 1.046 139 S CA 0.228 58.432 58.200 0.006 0.000 0.914 139 S CB 0.078 63.282 63.200 0.007 0.000 0.807 139 S HN 0.957 nan 8.310 nan 0.000 0.497 140 D N 0.820 121.223 120.400 0.004 0.000 2.332 140 D HA 0.305 4.944 4.640 -0.001 0.000 0.252 140 D C 1.061 177.362 176.300 0.002 0.000 1.050 140 D CA -0.242 53.760 54.000 0.003 0.000 0.970 140 D CB 0.736 41.538 40.800 0.003 0.000 1.141 140 D HN 0.028 nan 8.370 nan 0.000 0.485 141 S N 0.278 115.979 115.700 0.001 0.000 2.419 141 S HA -0.272 4.197 4.470 -0.001 0.000 0.233 141 S C 1.605 176.205 174.600 0.000 0.000 1.016 141 S CA 1.133 59.333 58.200 -0.000 0.000 0.974 141 S CB -0.478 62.721 63.200 -0.001 0.000 0.786 141 S HN 0.616 nan 8.310 nan 0.000 0.492 142 K N 1.736 122.136 120.400 0.001 0.000 2.026 142 K HA -0.037 4.282 4.320 -0.001 0.000 0.208 142 K C 2.342 178.943 176.600 0.002 0.000 1.048 142 K CA 1.251 57.538 56.287 0.001 0.000 0.929 142 K CB -0.657 31.844 32.500 0.002 0.000 0.713 142 K HN 0.435 nan 8.250 nan 0.000 0.439 143 A N 1.468 124.290 122.820 0.003 0.000 1.873 143 A HA -0.109 4.210 4.320 -0.001 0.000 0.215 143 A C 2.112 179.698 177.584 0.003 0.000 1.186 143 A CA 1.460 53.499 52.037 0.004 0.000 0.616 143 A CB -0.636 18.367 19.000 0.005 0.000 0.823 143 A HN 0.361 nan 8.150 nan 0.000 0.442 144 I N -0.056 120.515 120.570 0.002 0.000 2.185 144 I HA -0.371 3.798 4.170 -0.001 0.000 0.246 144 I C 2.929 179.046 176.117 -0.001 0.000 1.088 144 I CA 1.315 62.616 61.300 0.001 0.000 1.347 144 I CB -0.353 37.647 38.000 -0.000 0.000 1.041 144 I HN 0.393 nan 8.210 nan 0.000 0.415 145 A N -0.019 122.801 122.820 -0.001 0.000 1.898 145 A HA -0.222 4.097 4.320 -0.001 0.000 0.216 145 A C 2.253 179.836 177.584 -0.002 0.000 1.181 145 A CA 1.334 53.370 52.037 -0.003 0.000 0.620 145 A CB -0.554 18.444 19.000 -0.003 0.000 0.819 145 A HN 0.449 nan 8.150 nan 0.000 0.442 146 Q N -0.386 119.414 119.800 -0.000 0.000 2.030 146 Q HA -0.150 4.189 4.340 -0.001 0.000 0.204 146 Q C 2.179 178.179 176.000 0.000 0.000 0.986 146 Q CA 1.897 57.700 55.803 -0.000 0.000 0.843 146 Q CB -0.436 28.303 28.738 0.001 0.000 0.904 146 Q HN 0.487 nan 8.270 nan 0.000 0.420 147 V N 0.455 120.371 119.914 0.002 0.000 2.287 147 V HA -0.233 3.886 4.120 -0.001 0.000 0.248 147 V C 2.252 178.347 176.094 0.002 0.000 1.053 147 V CA 2.020 64.322 62.300 0.003 0.000 1.027 147 V CB -1.277 30.550 31.823 0.006 0.000 0.646 147 V HN 0.568 nan 8.190 nan 0.000 0.447 148 G N -0.430 108.370 108.800 0.000 0.000 2.442 148 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.219 148 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.219 148 G C 1.675 176.573 174.900 -0.003 0.000 1.141 148 G CA 1.574 46.673 45.100 -0.002 0.000 0.763 148 G HN 0.490 nan 8.290 nan 0.000 0.554 149 T N 1.418 115.970 114.554 -0.003 0.000 2.746 149 T HA -0.042 4.308 4.350 -0.001 0.000 0.267 149 T C 2.381 177.079 174.700 -0.004 0.000 1.039 149 T CA 0.998 63.096 62.100 -0.004 0.000 1.142 149 T CB -0.147 68.718 68.868 -0.004 0.000 0.866 149 T HN 0.276 nan 8.240 nan 0.000 0.444 150 I N 1.364 121.932 120.570 -0.003 0.000 2.286 150 I HA -0.153 4.016 4.170 -0.001 0.000 0.248 150 I C 2.582 178.698 176.117 -0.002 0.000 1.115 150 I CA 0.955 62.252 61.300 -0.004 0.000 1.392 150 I CB -0.398 37.600 38.000 -0.004 0.000 1.065 150 I HN 0.196 nan 8.210 nan 0.000 0.418 151 S N 0.962 116.663 115.700 0.002 0.000 2.406 151 S HA -0.021 4.448 4.470 -0.001 0.000 0.228 151 S C 1.954 176.557 174.600 0.005 0.000 1.020 151 S CA 1.063 59.267 58.200 0.006 0.000 0.965 151 S CB -0.223 62.984 63.200 0.012 0.000 0.798 151 S HN 0.515 nan 8.310 nan 0.000 0.488 152 A N 1.279 124.099 122.820 0.001 0.000 2.276 152 A HA 0.284 4.604 4.320 -0.001 0.000 0.212 152 A C 0.750 178.333 177.584 -0.002 0.000 1.230 152 A CA 0.157 52.193 52.037 -0.001 0.000 0.844 152 A CB -0.789 18.209 19.000 -0.004 0.000 0.860 152 A HN 0.486 nan 8.150 nan 0.000 0.486 153 N N -1.002 117.696 118.700 -0.003 0.000 2.780 153 N HA -0.211 4.529 4.740 -0.001 0.000 0.247 153 N C 0.124 175.630 175.510 -0.007 0.000 1.076 153 N CA 1.056 54.103 53.050 -0.006 0.000 0.688 153 N CB -1.920 36.564 38.487 -0.005 0.000 0.957 153 N HN 0.490 nan 8.380 nan 0.000 0.551 154 S N -1.534 114.162 115.700 -0.007 0.000 3.593 154 S HA -0.212 4.257 4.470 -0.001 0.000 0.301 154 S C -0.468 174.128 174.600 -0.006 0.000 1.209 154 S CA 0.725 58.920 58.200 -0.008 0.000 0.878 154 S CB -1.082 62.112 63.200 -0.009 0.000 1.000 154 S HN 0.727 nan 8.310 nan 0.000 0.578 155 D N 1.313 121.710 120.400 -0.006 0.000 2.456 155 D HA 0.284 4.924 4.640 -0.001 0.000 0.219 155 D C 1.099 177.395 176.300 -0.006 0.000 1.126 155 D CA -0.358 53.639 54.000 -0.006 0.000 0.890 155 D CB 0.469 41.266 40.800 -0.005 0.000 1.025 155 D HN 0.446 nan 8.370 nan 0.000 0.511 156 E N 1.040 121.236 120.200 -0.005 0.000 2.219 156 E HA -0.171 4.179 4.350 -0.001 0.000 0.198 156 E C 1.361 177.958 176.600 -0.006 0.000 0.998 156 E CA 1.159 57.556 56.400 -0.005 0.000 0.818 156 E CB 0.307 30.005 29.700 -0.005 0.000 0.741 156 E HN 0.477 nan 8.360 nan 0.000 0.477 157 T N 0.722 115.272 114.554 -0.006 0.000 2.622 157 T HA -0.168 4.181 4.350 -0.001 0.000 0.266 157 T C 2.113 176.808 174.700 -0.008 0.000 1.047 157 T CA 1.513 63.609 62.100 -0.007 0.000 1.159 157 T CB -0.337 68.527 68.868 -0.007 0.000 0.863 157 T HN 0.006 nan 8.240 nan 0.000 0.422 158 V N 1.531 121.440 119.914 -0.009 0.000 2.287 158 V HA -0.166 3.953 4.120 -0.001 0.000 0.248 158 V C 2.893 178.981 176.094 -0.011 0.000 1.053 158 V CA 2.064 64.357 62.300 -0.011 0.000 1.027 158 V CB -1.554 30.263 31.823 -0.010 0.000 0.646 158 V HN 0.629 nan 8.190 nan 0.000 0.447 159 G N -0.433 108.362 108.800 -0.009 0.000 2.476 159 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.218 159 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.218 159 G C 1.646 176.541 174.900 -0.008 0.000 1.164 159 G CA 1.261 46.356 45.100 -0.008 0.000 0.768 159 G HN 0.516 nan 8.290 nan 0.000 0.560 160 K N -0.030 120.365 120.400 -0.008 0.000 2.002 160 K HA 0.014 4.334 4.320 -0.001 0.000 0.209 160 K C 2.578 179.173 176.600 -0.009 0.000 1.048 160 K CA 0.988 57.270 56.287 -0.007 0.000 0.930 160 K CB -0.331 32.165 32.500 -0.006 0.000 0.714 160 K HN 0.335 nan 8.250 nan 0.000 0.438 161 L N 1.034 122.250 121.223 -0.011 0.000 1.990 161 L HA -0.258 4.081 4.340 -0.001 0.000 0.213 161 L C 2.516 179.376 176.870 -0.016 0.000 1.072 161 L CA 1.551 56.383 54.840 -0.013 0.000 0.755 161 L CB -0.410 41.639 42.059 -0.015 0.000 0.889 161 L HN 0.296 nan 8.230 nan 0.000 0.432 162 I N -0.526 120.033 120.570 -0.018 0.000 2.264 162 I HA -0.322 3.848 4.170 -0.001 0.000 0.248 162 I C 2.732 178.840 176.117 -0.016 0.000 1.111 162 I CA 1.221 62.509 61.300 -0.021 0.000 1.382 162 I CB -0.489 37.498 38.000 -0.022 0.000 1.060 162 I HN 0.263 nan 8.210 nan 0.000 0.418 163 A N 0.535 123.348 122.820 -0.011 0.000 1.898 163 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 163 A C 2.196 179.775 177.584 -0.008 0.000 1.181 163 A CA 1.526 53.558 52.037 -0.008 0.000 0.620 163 A CB -0.497 18.500 19.000 -0.006 0.000 0.819 163 A HN 0.458 nan 8.150 nan 0.000 0.442 164 E N -0.068 120.127 120.200 -0.009 0.000 2.072 164 E HA -0.085 4.264 4.350 -0.001 0.000 0.191 164 E C 2.327 178.921 176.600 -0.009 0.000 0.985 164 E CA 0.877 57.272 56.400 -0.008 0.000 0.801 164 E CB -0.312 29.383 29.700 -0.008 0.000 0.750 164 E HN 0.605 nan 8.360 nan 0.000 0.452 165 A N 1.484 124.297 122.820 -0.012 0.000 1.877 165 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 165 A C 2.201 179.778 177.584 -0.012 0.000 1.186 165 A CA 1.466 53.495 52.037 -0.014 0.000 0.620 165 A CB -0.473 18.515 19.000 -0.020 0.000 0.822 165 A HN 0.133 nan 8.150 nan 0.000 0.443 166 M N -1.065 118.528 119.600 -0.012 0.000 2.296 166 M HA -0.122 4.357 4.480 -0.001 0.000 0.265 166 M C 1.766 178.063 176.300 -0.006 0.000 1.064 166 M CA 1.725 57.020 55.300 -0.009 0.000 1.109 166 M CB -0.483 32.112 32.600 -0.008 0.000 1.396 166 M HN 0.478 nan 8.290 nan 0.000 0.430 167 D N 0.651 121.047 120.400 -0.006 0.000 2.178 167 D HA -0.122 4.518 4.640 -0.001 0.000 0.202 167 D C 1.983 178.280 176.300 -0.004 0.000 0.974 167 D CA 1.101 55.099 54.000 -0.004 0.000 0.841 167 D CB 0.277 41.075 40.800 -0.004 0.000 0.953 167 D HN 0.025 nan 8.370 nan 0.000 0.478 168 K N -0.180 120.217 120.400 -0.005 0.000 2.031 168 K HA -0.009 4.310 4.320 -0.001 0.000 0.205 168 K C 1.860 178.458 176.600 -0.004 0.000 1.049 168 K CA 1.200 57.484 56.287 -0.005 0.000 0.939 168 K CB -0.218 32.279 32.500 -0.006 0.000 0.717 168 K HN 0.304 nan 8.250 nan 0.000 0.438 169 V N -3.122 116.789 119.914 -0.004 0.000 3.427 169 V HA 0.436 4.556 4.120 -0.001 0.000 0.305 169 V C 0.463 176.556 176.094 -0.001 0.000 1.412 169 V CA 0.083 62.381 62.300 -0.003 0.000 1.086 169 V CB -0.212 31.609 31.823 -0.003 0.000 0.964 169 V HN 0.340 nan 8.190 nan 0.000 0.439 170 G N 2.069 110.868 108.800 -0.002 0.000 2.690 170 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.686 170 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.686 170 G C 0.042 174.942 174.900 -0.000 0.000 1.277 170 G CA -0.145 44.955 45.100 -0.000 0.000 0.799 170 G HN 0.619 nan 8.290 nan 0.000 0.613 171 K N -0.169 120.232 120.400 0.001 0.000 2.525 171 K HA 0.121 4.440 4.320 -0.001 0.000 0.192 171 K C 0.555 177.157 176.600 0.004 0.000 1.029 171 K CA 1.062 57.350 56.287 0.002 0.000 1.029 171 K CB 0.539 33.041 32.500 0.003 0.000 0.814 171 K HN 0.430 nan 8.250 nan 0.000 0.503 172 E N 1.236 121.439 120.200 0.005 0.000 2.603 172 E HA 0.120 4.470 4.350 -0.001 0.000 0.211 172 E C 0.358 176.963 176.600 0.008 0.000 0.995 172 E CA -0.085 56.320 56.400 0.009 0.000 0.990 172 E CB 1.207 30.914 29.700 0.011 0.000 1.036 172 E HN 0.361 nan 8.360 nan 0.000 0.475 173 G N 0.580 109.382 108.800 0.004 0.000 2.477 173 G HA2 0.364 4.323 3.960 -0.001 0.000 0.304 173 G HA3 0.364 4.323 3.960 -0.001 0.000 0.304 173 G C 0.080 174.979 174.900 -0.000 0.000 1.175 173 G CA -0.455 44.647 45.100 0.003 0.000 0.907 173 G HN -0.055 nan 8.290 nan 0.000 0.509 174 V N 1.162 121.077 119.914 0.002 0.000 2.521 174 V HA 0.244 4.363 4.120 -0.001 0.000 0.286 174 V C 0.259 176.346 176.094 -0.012 0.000 1.034 174 V CA 0.433 62.732 62.300 -0.003 0.000 1.045 174 V CB 0.232 32.058 31.823 0.005 0.000 0.974 174 V HN 0.419 nan 8.190 nan 0.000 0.480 175 I N 4.272 124.828 120.570 -0.024 0.000 2.533 175 I HA 0.488 4.657 4.170 -0.001 0.000 0.290 175 I C -0.144 175.946 176.117 -0.045 0.000 1.056 175 I CA -0.208 61.072 61.300 -0.034 0.000 1.057 175 I CB 2.413 40.388 38.000 -0.042 0.000 1.240 175 I HN 0.531 nan 8.210 nan 0.000 0.423 176 T N 4.765 119.296 114.554 -0.037 0.000 2.924 176 T HA 0.637 4.986 4.350 -0.001 0.000 0.291 176 T C -0.580 174.097 174.700 -0.038 0.000 1.045 176 T CA -0.659 61.418 62.100 -0.038 0.000 1.015 176 T CB 2.553 71.406 68.868 -0.025 0.000 1.103 176 T HN 0.449 nan 8.240 nan 0.000 0.496 177 V N -0.392 119.500 119.914 -0.037 0.000 2.680 177 V HA 0.879 4.999 4.120 -0.001 0.000 0.309 177 V C -1.005 175.077 176.094 -0.020 0.000 1.052 177 V CA -0.767 61.515 62.300 -0.031 0.000 0.908 177 V CB 1.798 33.599 31.823 -0.037 0.000 1.001 177 V HN 0.959 nan 8.190 nan 0.000 0.431 178 E N 1.691 121.881 120.200 -0.016 0.000 2.429 178 E HA 0.411 4.760 4.350 -0.001 0.000 0.276 178 E C -1.646 174.949 176.600 -0.010 0.000 0.953 178 E CA -1.036 55.357 56.400 -0.011 0.000 0.787 178 E CB 1.786 31.480 29.700 -0.011 0.000 1.307 178 E HN 0.792 nan 8.360 nan 0.000 0.458 179 D N 0.969 121.364 120.400 -0.007 0.000 2.423 179 D HA 0.158 4.797 4.640 -0.001 0.000 0.238 179 D C 0.246 176.541 176.300 -0.008 0.000 1.142 179 D CA 0.381 54.377 54.000 -0.006 0.000 0.884 179 D CB 0.895 41.692 40.800 -0.005 0.000 1.199 179 D HN 0.499 nan 8.370 nan 0.000 0.438 180 G N -0.511 108.285 108.800 -0.007 0.000 2.547 180 G HA2 0.275 4.234 3.960 -0.001 0.000 0.291 180 G HA3 0.275 4.234 3.960 -0.001 0.000 0.291 180 G C 1.007 175.903 174.900 -0.007 0.000 1.211 180 G CA -0.232 44.864 45.100 -0.008 0.000 0.950 180 G HN 0.444 nan 8.290 nan 0.000 0.504 181 T N -3.304 111.246 114.554 -0.007 0.000 3.113 181 T HA 0.424 4.773 4.350 -0.001 0.000 0.256 181 T C 1.034 175.730 174.700 -0.006 0.000 1.131 181 T CA 0.710 62.806 62.100 -0.007 0.000 1.074 181 T CB -0.086 68.778 68.868 -0.007 0.000 0.944 181 T HN 2.096 nan 8.240 nan 0.000 0.516 182 G N 1.611 110.408 108.800 -0.005 0.000 3.220 182 G HA2 0.311 4.270 3.960 -0.001 0.000 0.636 182 G HA3 0.311 4.270 3.960 -0.001 0.000 0.636 182 G C -0.742 174.155 174.900 -0.005 0.000 1.226 182 G CA -0.701 44.397 45.100 -0.005 0.000 1.177 182 G HN 0.748 nan 8.290 nan 0.000 0.527 183 L N 1.032 122.253 121.223 -0.005 0.000 1.712 183 L HA -0.172 4.168 4.340 -0.001 0.000 0.402 183 L C 0.290 177.157 176.870 -0.005 0.000 1.004 183 L CA 2.331 57.169 54.840 -0.004 0.000 1.208 183 L CB -0.564 41.493 42.059 -0.004 0.000 0.528 183 L HN 1.947 nan 8.230 nan 0.000 0.369 184 Q N 2.318 122.115 119.800 -0.005 0.000 3.062 184 Q HA -0.075 4.264 4.340 -0.001 0.000 0.085 184 Q C -0.559 175.437 176.000 -0.006 0.000 1.615 184 Q CA 0.856 56.656 55.803 -0.005 0.000 0.328 184 Q CB -0.132 28.603 28.738 -0.005 0.000 0.592 184 Q HN 0.686 nan 8.270 nan 0.000 0.321 185 D N 2.506 122.902 120.400 -0.007 0.000 2.371 185 D HA 0.288 4.928 4.640 -0.001 0.000 0.242 185 D C -0.013 176.282 176.300 -0.008 0.000 1.218 185 D CA 0.211 54.206 54.000 -0.008 0.000 0.945 185 D CB 0.702 41.496 40.800 -0.009 0.000 1.137 185 D HN 0.359 nan 8.370 nan 0.000 0.464 186 E N -0.226 119.969 120.200 -0.009 0.000 2.304 186 E HA 0.402 4.752 4.350 -0.001 0.000 0.277 186 E C -1.291 175.303 176.600 -0.010 0.000 0.898 186 E CA -0.764 55.631 56.400 -0.009 0.000 0.764 186 E CB 2.319 32.014 29.700 -0.008 0.000 1.216 186 E HN 0.071 nan 8.360 nan 0.000 0.419 187 L N 3.251 124.469 121.223 -0.010 0.000 2.343 187 L HA 0.531 4.871 4.340 -0.001 0.000 0.278 187 L C -1.669 175.195 176.870 -0.009 0.000 0.996 187 L CA -0.171 54.663 54.840 -0.010 0.000 0.831 187 L CB 1.116 43.169 42.059 -0.010 0.000 1.232 187 L HN 0.420 nan 8.230 nan 0.000 0.413 188 D N 4.385 124.780 120.400 -0.009 0.000 2.819 188 D HA 0.464 5.103 4.640 -0.001 0.000 0.232 188 D C -1.071 175.224 176.300 -0.008 0.000 1.160 188 D CA -0.257 53.738 54.000 -0.008 0.000 0.858 188 D CB 2.785 43.580 40.800 -0.008 0.000 1.610 188 D HN 0.255 nan 8.370 nan 0.000 0.481 189 V N 1.431 121.342 119.914 -0.006 0.000 2.370 189 V HA 0.478 4.597 4.120 -0.001 0.000 0.283 189 V C 0.523 176.615 176.094 -0.003 0.000 1.023 189 V CA -0.652 61.645 62.300 -0.005 0.000 0.857 189 V CB 1.315 33.136 31.823 -0.004 0.000 0.985 189 V HN 0.497 nan 8.190 nan 0.000 0.443 190 V N 1.499 121.412 119.914 -0.002 0.000 3.155 190 V HA 0.716 4.836 4.120 -0.001 0.000 0.313 190 V C -0.319 175.776 176.094 0.003 0.000 1.162 190 V CA -1.049 61.251 62.300 -0.001 0.000 1.048 190 V CB 2.137 33.959 31.823 -0.002 0.000 1.092 190 V HN 0.637 nan 8.190 nan 0.000 0.447 191 E N 1.230 121.432 120.200 0.004 0.000 2.324 191 E HA 0.625 4.975 4.350 -0.001 0.000 0.271 191 E C 0.192 176.800 176.600 0.012 0.000 1.028 191 E CA 0.823 57.227 56.400 0.007 0.000 0.890 191 E CB 0.876 30.579 29.700 0.007 0.000 1.004 191 E HN 1.192 nan 8.360 nan 0.000 0.431 192 G N 1.309 110.120 108.800 0.018 0.000 2.548 192 G HA2 0.601 4.561 3.960 -0.001 0.000 0.301 192 G HA3 0.601 4.561 3.960 -0.001 0.000 0.301 192 G C -1.228 173.697 174.900 0.042 0.000 1.349 192 G CA -0.606 44.512 45.100 0.029 0.000 0.792 192 G HN 0.408 nan 8.290 nan 0.000 0.481 193 M N -0.511 119.128 119.600 0.065 0.000 2.833 193 M HA 0.630 5.109 4.480 -0.001 0.000 0.270 193 M C -2.317 174.059 176.300 0.127 0.000 1.209 193 M CA -0.690 54.667 55.300 0.095 0.000 0.826 193 M CB 2.479 35.146 32.600 0.113 0.000 1.657 193 M HN 0.754 nan 8.290 nan 0.000 0.492 194 Q N 2.656 122.547 119.800 0.153 0.000 2.268 194 Q HA 0.592 4.932 4.340 -0.001 0.000 0.266 194 Q C -2.261 173.858 176.000 0.199 0.000 1.006 194 Q CA -0.657 55.209 55.803 0.104 0.000 0.824 194 Q CB 1.858 30.605 28.738 0.016 0.000 1.306 194 Q HN 0.566 nan 8.270 nan 0.000 0.424 195 F N -0.112 119.841 119.950 0.004 0.000 2.611 195 F HA 0.578 5.105 4.527 -0.001 0.000 0.324 195 F C -0.414 175.389 175.800 0.005 0.000 1.061 195 F CA -1.333 56.671 58.000 0.007 0.000 0.954 195 F CB 1.004 40.009 39.000 0.009 0.000 1.301 195 F HN 0.295 nan 8.300 nan 0.000 0.482 196 D N 2.768 123.261 120.400 0.155 0.000 2.608 196 D HA 0.203 4.843 4.640 -0.001 0.000 0.224 196 D C -0.338 175.996 176.300 0.057 0.000 1.123 196 D CA 0.267 54.294 54.000 0.045 0.000 1.030 196 D CB -0.087 40.753 40.800 0.066 0.000 1.093 196 D HN 0.290 nan 8.370 nan 0.000 0.497 197 R N 0.451 120.916 120.500 -0.059 0.000 2.510 197 R HA 0.437 4.777 4.340 -0.001 0.000 0.287 197 R C 0.235 176.444 176.300 -0.151 0.000 1.084 197 R CA -0.683 55.410 56.100 -0.012 0.000 0.934 197 R CB 1.915 32.340 30.300 0.209 0.000 1.201 197 R HN 0.232 nan 8.270 nan 0.000 0.431 198 G N 1.305 110.010 108.800 -0.158 0.000 2.537 198 G HA2 0.395 4.355 3.960 -0.001 0.000 0.297 198 G HA3 0.395 4.355 3.960 -0.001 0.000 0.297 198 G C -0.493 174.305 174.900 -0.171 0.000 1.310 198 G CA -0.487 44.432 45.100 -0.301 0.000 1.027 198 G HN 0.441 nan 8.290 nan 0.000 0.505 199 Y N -1.353 118.979 120.300 0.052 0.000 2.683 199 Y HA 0.242 4.791 4.550 -0.001 0.000 0.340 199 Y C 1.160 177.169 175.900 0.182 0.000 1.245 199 Y CA -1.092 57.092 58.100 0.139 0.000 1.485 199 Y CB 0.301 38.890 38.460 0.214 0.000 1.328 199 Y HN 0.184 nan 8.280 nan 0.000 0.603 200 L N 2.384 123.910 121.223 0.504 0.000 2.650 200 L HA 0.085 4.425 4.340 -0.001 0.000 0.235 200 L C 0.271 177.353 176.870 0.354 0.000 1.149 200 L CA 0.955 56.025 54.840 0.384 0.000 0.887 200 L CB -0.728 41.543 42.059 0.352 0.000 1.021 200 L HN 0.913 nan 8.230 nan 0.000 0.441 201 S N -3.398 112.552 115.700 0.417 0.000 2.751 201 S HA 0.239 4.708 4.470 -0.001 0.000 0.289 201 S C -2.926 171.531 174.600 -0.237 0.000 0.965 201 S CA -1.169 57.087 58.200 0.092 0.000 0.855 201 S CB 0.811 63.977 63.200 -0.058 0.000 1.068 201 S HN -0.252 nan 8.310 nan 0.000 0.462 202 P HA 0.439 nan 4.420 nan 0.000 0.335 202 P C 0.307 177.270 177.300 -0.562 0.000 1.379 202 P CA 0.595 63.227 63.100 -0.780 0.000 0.794 202 P CB -0.111 31.152 31.700 -0.729 0.000 1.849 203 Y N -4.864 115.241 120.300 -0.325 0.000 2.884 203 Y HA -0.298 4.251 4.550 -0.001 0.000 0.483 203 Y C 1.883 177.682 175.900 -0.169 0.000 1.209 203 Y CA 1.416 59.357 58.100 -0.264 0.000 2.681 203 Y CB -2.990 35.253 38.460 -0.361 0.000 0.894 203 Y HN 0.096 nan 8.280 nan 0.000 0.529 204 F N 0.361 120.299 119.950 -0.020 0.000 2.216 204 F HA -0.015 4.512 4.527 -0.001 0.000 0.300 204 F C 1.541 177.298 175.800 -0.071 0.000 1.085 204 F CA 0.583 58.565 58.000 -0.030 0.000 1.326 204 F CB -0.620 38.363 39.000 -0.028 0.000 1.027 204 F HN -0.032 nan 8.300 nan 0.000 0.497 205 I N 2.527 123.094 120.570 -0.005 0.000 2.943 205 I HA -0.219 3.950 4.170 -0.001 0.000 0.296 205 I C 0.562 176.685 176.117 0.010 0.000 1.220 205 I CA 0.573 61.845 61.300 -0.046 0.000 1.409 205 I CB -0.028 37.874 38.000 -0.164 0.000 1.374 205 I HN 0.229 nan 8.210 nan 0.000 0.545 206 N N 5.346 124.066 118.700 0.033 0.000 2.177 206 N HA 0.100 4.840 4.740 -0.001 0.000 0.218 206 N C -0.216 175.308 175.510 0.023 0.000 1.182 206 N CA -0.263 52.807 53.050 0.033 0.000 0.882 206 N CB 0.542 39.054 38.487 0.043 0.000 1.052 206 N HN 0.409 nan 8.380 nan 0.000 0.519 207 K N 1.092 121.504 120.400 0.019 0.000 3.098 207 K HA 0.212 4.531 4.320 -0.001 0.000 0.170 207 K C -2.186 174.422 176.600 0.013 0.000 1.106 207 K CA -1.298 54.999 56.287 0.018 0.000 0.864 207 K CB 2.195 34.710 32.500 0.025 0.000 1.047 207 K HN -0.019 nan 8.250 nan 0.000 0.609 208 P HA -0.217 nan 4.420 nan 0.000 0.217 208 P C 0.486 177.787 177.300 0.000 0.000 1.148 208 P CA 1.465 64.561 63.100 -0.008 0.000 0.828 208 P CB 0.483 32.175 31.700 -0.012 0.000 0.783 209 E N -0.138 120.066 120.200 0.006 0.000 2.118 209 E HA -0.122 4.228 4.350 -0.001 0.000 0.195 209 E C 1.687 178.295 176.600 0.013 0.000 0.992 209 E CA 1.935 58.340 56.400 0.008 0.000 0.804 209 E CB -1.273 28.434 29.700 0.011 0.000 0.741 209 E HN 0.327 nan 8.360 nan 0.000 0.458 210 T N -1.281 113.286 114.554 0.021 0.000 3.054 210 T HA 0.297 4.646 4.350 -0.001 0.000 0.255 210 T C 1.013 175.737 174.700 0.041 0.000 1.035 210 T CA 0.192 62.311 62.100 0.032 0.000 0.941 210 T CB 0.665 69.558 68.868 0.042 0.000 1.026 210 T HN 0.341 nan 8.240 nan 0.000 0.533 211 G N 1.924 110.745 108.800 0.035 0.000 2.366 211 G HA2 0.038 3.997 3.960 -0.001 0.000 0.299 211 G HA3 0.038 3.997 3.960 -0.001 0.000 0.299 211 G C 0.044 175.019 174.900 0.125 0.000 1.020 211 G CA 0.107 45.238 45.100 0.053 0.000 1.026 211 G HN 0.926 nan 8.290 nan 0.000 0.512 212 A N -1.107 121.771 122.820 0.096 0.000 2.469 212 A HA 0.909 5.228 4.320 -0.001 0.000 0.299 212 A C -0.300 177.346 177.584 0.103 0.000 1.098 212 A CA -0.404 51.712 52.037 0.133 0.000 0.737 212 A CB 2.146 21.199 19.000 0.087 0.000 1.312 212 A HN 1.229 nan 8.150 nan 0.000 0.414 213 V N 1.115 121.108 119.914 0.132 0.000 2.398 213 V HA 0.522 4.641 4.120 -0.001 0.000 0.286 213 V C -0.057 176.070 176.094 0.055 0.000 1.026 213 V CA -0.309 62.047 62.300 0.095 0.000 0.868 213 V CB 1.274 33.172 31.823 0.126 0.000 0.982 213 V HN 0.908 nan 8.190 nan 0.000 0.443 214 E N 4.846 125.067 120.200 0.036 0.000 2.255 214 E HA 0.539 4.889 4.350 -0.001 0.000 0.256 214 E C -1.586 175.019 176.600 0.009 0.000 0.887 214 E CA -0.519 55.892 56.400 0.019 0.000 0.782 214 E CB 1.311 31.022 29.700 0.017 0.000 1.214 214 E HN 0.634 nan 8.360 nan 0.000 0.417 215 L N 3.499 124.722 121.223 -0.001 0.000 2.317 215 L HA 0.485 4.825 4.340 -0.001 0.000 0.281 215 L C -0.129 176.730 176.870 -0.019 0.000 1.024 215 L CA -0.751 54.083 54.840 -0.010 0.000 0.810 215 L CB 1.685 43.735 42.059 -0.016 0.000 1.240 215 L HN 0.466 nan 8.230 nan 0.000 0.427 216 E N 1.612 121.796 120.200 -0.026 0.000 2.133 216 E HA 0.296 4.646 4.350 -0.001 0.000 0.274 216 E C -0.411 176.149 176.600 -0.066 0.000 0.930 216 E CA -0.488 55.889 56.400 -0.038 0.000 0.770 216 E CB 1.486 31.168 29.700 -0.029 0.000 1.104 216 E HN 0.624 nan 8.360 nan 0.000 0.403 217 S N 1.984 117.636 115.700 -0.081 0.000 3.711 217 S HA -0.120 4.349 4.470 -0.001 0.000 0.374 217 S C -2.169 172.311 174.600 -0.200 0.000 0.969 217 S CA 0.290 58.409 58.200 -0.134 0.000 1.198 217 S CB -1.375 61.742 63.200 -0.137 0.000 0.903 217 S HN 0.516 nan 8.310 nan 0.000 0.493 218 P HA 0.559 nan 4.420 nan 0.000 0.282 218 P C -0.038 177.180 177.300 -0.137 0.000 1.259 218 P CA -0.638 62.387 63.100 -0.125 0.000 0.826 218 P CB 0.594 32.273 31.700 -0.034 0.000 1.064 219 F N 0.764 120.714 119.950 -0.001 0.000 2.370 219 F HA 0.435 4.961 4.527 -0.001 0.000 0.319 219 F C 0.940 176.741 175.800 0.002 0.000 1.129 219 F CA -0.211 57.790 58.000 0.001 0.000 1.109 219 F CB 0.528 39.528 39.000 -0.001 0.000 1.262 219 F HN 0.073 nan 8.300 nan 0.000 0.534 220 I N 3.145 123.860 120.570 0.242 0.000 2.500 220 I HA 0.209 4.378 4.170 -0.001 0.000 0.286 220 I C -1.505 174.663 176.117 0.086 0.000 1.063 220 I CA -0.812 60.564 61.300 0.127 0.000 1.062 220 I CB 1.879 39.937 38.000 0.097 0.000 1.223 220 I HN 0.213 nan 8.210 nan 0.000 0.435 221 L N 8.236 129.493 121.223 0.057 0.000 2.257 221 L HA 0.521 4.861 4.340 -0.001 0.000 0.290 221 L C -1.069 175.813 176.870 0.020 0.000 1.044 221 L CA 0.042 54.896 54.840 0.025 0.000 0.810 221 L CB 0.773 42.839 42.059 0.012 0.000 1.193 221 L HN 0.452 nan 8.230 nan 0.000 0.425 222 L N 6.441 127.669 121.223 0.008 0.000 2.277 222 L HA 0.735 5.074 4.340 -0.001 0.000 0.284 222 L C -0.044 176.823 176.870 -0.006 0.000 1.028 222 L CA -0.449 54.389 54.840 -0.003 0.000 0.835 222 L CB 1.184 43.234 42.059 -0.015 0.000 1.215 222 L HN 0.803 nan 8.230 nan 0.000 0.425 223 A N 1.747 124.566 122.820 -0.001 0.000 2.310 223 A HA 0.336 4.656 4.320 -0.001 0.000 0.304 223 A C -0.382 177.203 177.584 0.002 0.000 1.231 223 A CA -0.540 51.498 52.037 0.001 0.000 0.799 223 A CB 0.844 19.848 19.000 0.007 0.000 1.162 223 A HN 0.692 nan 8.150 nan 0.000 0.486 224 D N 2.642 123.040 120.400 -0.003 0.000 2.801 224 D HA 0.277 4.917 4.640 -0.001 0.000 0.232 224 D C 0.247 176.551 176.300 0.007 0.000 1.128 224 D CA 0.483 54.481 54.000 -0.002 0.000 1.003 224 D CB -0.574 40.220 40.800 -0.009 0.000 1.110 224 D HN 0.627 nan 8.370 nan 0.000 0.477 225 K N -1.093 119.315 120.400 0.014 0.000 2.672 225 K HA 0.367 4.686 4.320 -0.001 0.000 0.295 225 K C -1.195 175.421 176.600 0.026 0.000 1.042 225 K CA -1.198 55.100 56.287 0.019 0.000 0.869 225 K CB 0.859 33.368 32.500 0.014 0.000 1.541 225 K HN -0.204 nan 8.250 nan 0.000 0.396 226 K N 1.142 121.559 120.400 0.028 0.000 2.156 226 K HA 0.437 4.756 4.320 -0.001 0.000 0.271 226 K C -0.611 176.008 176.600 0.032 0.000 0.995 226 K CA -0.603 55.705 56.287 0.034 0.000 0.890 226 K CB 1.137 33.658 32.500 0.035 0.000 1.073 226 K HN 0.383 nan 8.250 nan 0.000 0.454 227 I N 2.428 123.021 120.570 0.038 0.000 2.307 227 I HA 0.060 4.229 4.170 -0.001 0.000 0.289 227 I C 0.549 176.688 176.117 0.036 0.000 1.021 227 I CA -0.008 61.313 61.300 0.035 0.000 1.224 227 I CB 1.562 39.585 38.000 0.040 0.000 1.376 227 I HN 0.693 nan 8.210 nan 0.000 0.470 228 S N 3.688 119.405 115.700 0.029 0.000 2.527 228 S HA 0.064 4.534 4.470 -0.001 0.000 0.225 228 S C 0.871 175.485 174.600 0.023 0.000 1.046 228 S CA 0.111 58.327 58.200 0.026 0.000 0.929 228 S CB 0.108 63.321 63.200 0.021 0.000 0.851 228 S HN 0.640 nan 8.310 nan 0.000 0.565 229 N N 2.049 120.760 118.700 0.019 0.000 2.415 229 N HA 0.207 4.946 4.740 -0.001 0.000 0.246 229 N C 0.248 175.768 175.510 0.017 0.000 1.078 229 N CA -0.010 53.050 53.050 0.016 0.000 0.942 229 N CB 0.625 39.119 38.487 0.012 0.000 1.140 229 N HN 0.279 nan 8.380 nan 0.000 0.501 230 I N 3.375 123.956 120.570 0.019 0.000 3.164 230 I HA -0.161 4.008 4.170 -0.001 0.000 0.278 230 I C 1.949 178.075 176.117 0.015 0.000 1.320 230 I CA 0.490 61.803 61.300 0.021 0.000 1.422 230 I CB 0.117 38.132 38.000 0.026 0.000 1.066 230 I HN 0.455 nan 8.210 nan 0.000 0.503 231 R N 0.953 121.459 120.500 0.011 0.000 2.081 231 R HA -0.186 4.153 4.340 -0.001 0.000 0.235 231 R C 2.001 178.304 176.300 0.005 0.000 1.131 231 R CA 1.647 57.751 56.100 0.007 0.000 0.960 231 R CB -0.219 30.084 30.300 0.005 0.000 0.856 231 R HN 0.418 nan 8.270 nan 0.000 0.436 232 E N -0.579 119.624 120.200 0.006 0.000 2.147 232 E HA -0.278 4.072 4.350 -0.001 0.000 0.199 232 E C 1.812 178.412 176.600 0.000 0.000 1.005 232 E CA 1.503 57.905 56.400 0.003 0.000 0.810 232 E CB -0.076 29.628 29.700 0.006 0.000 0.736 232 E HN 0.294 nan 8.360 nan 0.000 0.460 233 M N 0.062 119.665 119.600 0.004 0.000 2.156 233 M HA -0.098 4.381 4.480 -0.001 0.000 0.264 233 M C 2.425 178.723 176.300 -0.003 0.000 1.067 233 M CA 1.054 56.355 55.300 0.002 0.000 1.131 233 M CB -0.964 31.643 32.600 0.012 0.000 1.368 233 M HN 0.166 nan 8.290 nan 0.000 0.416 234 L N 0.405 121.629 121.223 0.001 0.000 2.077 234 L HA -0.304 4.035 4.340 -0.001 0.000 0.231 234 L C -0.223 176.641 176.870 -0.009 0.000 1.100 234 L CA 2.279 57.118 54.840 -0.001 0.000 0.819 234 L CB -2.851 39.208 42.059 -0.000 0.000 0.913 234 L HN 0.207 nan 8.230 nan 0.000 0.446 235 P HA -0.141 nan 4.420 nan 0.000 0.216 235 P C 1.775 179.055 177.300 -0.033 0.000 1.153 235 P CA 1.772 64.859 63.100 -0.021 0.000 0.858 235 P CB -0.035 31.652 31.700 -0.021 0.000 0.789 236 V N 0.235 120.126 119.914 -0.038 0.000 2.346 236 V HA -0.171 3.949 4.120 -0.001 0.000 0.244 236 V C 2.915 178.976 176.094 -0.055 0.000 1.037 236 V CA 1.295 63.558 62.300 -0.061 0.000 1.029 236 V CB -1.365 30.422 31.823 -0.060 0.000 0.663 236 V HN -0.028 nan 8.190 nan 0.000 0.454 237 L N 0.114 121.322 121.223 -0.026 0.000 2.042 237 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 237 L C 2.674 179.541 176.870 -0.004 0.000 1.076 237 L CA 2.071 56.907 54.840 -0.007 0.000 0.749 237 L CB -0.537 41.527 42.059 0.008 0.000 0.893 237 L HN 0.457 nan 8.230 nan 0.000 0.432 238 E N 0.187 120.382 120.200 -0.010 0.000 2.110 238 E HA -0.246 4.104 4.350 -0.001 0.000 0.193 238 E C 2.199 178.793 176.600 -0.010 0.000 0.988 238 E CA 1.135 57.532 56.400 -0.005 0.000 0.804 238 E CB 0.041 29.736 29.700 -0.008 0.000 0.745 238 E HN 0.482 nan 8.360 nan 0.000 0.458 239 A N 0.412 123.212 122.820 -0.034 0.000 1.902 239 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 239 A C 2.339 179.897 177.584 -0.043 0.000 1.181 239 A CA 1.362 53.367 52.037 -0.054 0.000 0.623 239 A CB -0.481 18.456 19.000 -0.105 0.000 0.818 239 A HN 0.223 nan 8.150 nan 0.000 0.443 240 V N -0.235 119.653 119.914 -0.043 0.000 2.667 240 V HA -0.141 3.978 4.120 -0.001 0.000 0.252 240 V C 2.941 179.090 176.094 0.092 0.000 1.065 240 V CA 1.393 63.721 62.300 0.047 0.000 1.083 240 V CB -1.113 30.745 31.823 0.060 0.000 0.692 240 V HN 0.612 nan 8.190 nan 0.000 0.468 241 A N 0.099 122.948 122.820 0.048 0.000 1.851 241 A HA -0.185 4.135 4.320 -0.001 0.000 0.216 241 A C 1.584 179.199 177.584 0.052 0.000 1.195 241 A CA 1.368 53.432 52.037 0.045 0.000 0.622 241 A CB -0.310 18.706 19.000 0.027 0.000 0.831 241 A HN 0.539 nan 8.150 nan 0.000 0.444 242 K N -2.765 117.662 120.400 0.044 0.000 2.143 242 K HA 0.389 4.708 4.320 -0.001 0.000 0.239 242 K C 1.108 177.756 176.600 0.081 0.000 1.048 242 K CA 0.253 56.568 56.287 0.047 0.000 0.867 242 K CB 0.032 32.552 32.500 0.033 0.000 1.088 242 K HN 0.890 nan 8.250 nan 0.000 0.510 243 A N -0.081 122.787 122.820 0.081 0.000 4.287 243 A HA -0.214 4.105 4.320 -0.001 0.000 0.258 243 A C 1.175 178.813 177.584 0.090 0.000 0.811 243 A CA 1.638 53.743 52.037 0.114 0.000 1.245 243 A CB -2.499 16.637 19.000 0.227 0.000 1.055 243 A HN 1.465 nan 8.150 nan 0.000 0.763 244 G N -0.644 108.204 108.800 0.080 0.000 2.393 244 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.299 244 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.299 244 G C -0.134 174.791 174.900 0.042 0.000 0.990 244 G CA 1.508 46.641 45.100 0.054 0.000 1.118 244 G HN 1.156 nan 8.290 nan 0.000 0.513 245 K N 0.515 120.960 120.400 0.075 0.000 2.318 245 K HA 0.529 4.849 4.320 -0.001 0.000 0.249 245 K C -2.257 174.383 176.600 0.066 0.000 0.942 245 K CA -2.059 54.235 56.287 0.012 0.000 0.808 245 K CB 2.939 35.357 32.500 -0.138 0.000 1.189 245 K HN 0.093 nan 8.250 nan 0.000 0.428 246 P HA 0.154 nan 4.420 nan 0.000 0.274 246 P C -1.211 176.136 177.300 0.078 0.000 1.246 246 P CA -0.565 62.557 63.100 0.037 0.000 0.795 246 P CB 0.782 32.483 31.700 0.003 0.000 1.006 247 L N 1.880 123.144 121.223 0.069 0.000 2.410 247 L HA 0.526 4.865 4.340 -0.001 0.000 0.270 247 L C -1.473 175.409 176.870 0.019 0.000 0.983 247 L CA -0.996 53.899 54.840 0.092 0.000 0.822 247 L CB 1.671 43.790 42.059 0.100 0.000 1.285 247 L HN 0.172 nan 8.230 nan 0.000 0.409 248 L N 6.097 127.340 121.223 0.034 0.000 2.287 248 L HA 0.609 4.949 4.340 -0.001 0.000 0.287 248 L C -1.139 175.741 176.870 0.017 0.000 1.022 248 L CA -0.134 54.705 54.840 -0.001 0.000 0.814 248 L CB 0.974 43.049 42.059 0.027 0.000 1.217 248 L HN 0.459 nan 8.230 nan 0.000 0.420 249 I N 7.060 127.622 120.570 -0.013 0.000 2.315 249 I HA 0.283 4.453 4.170 -0.001 0.000 0.291 249 I C -0.081 176.060 176.117 0.040 0.000 1.006 249 I CA -0.156 61.153 61.300 0.014 0.000 1.265 249 I CB 1.088 39.092 38.000 0.008 0.000 1.387 249 I HN 0.586 nan 8.210 nan 0.000 0.475 250 I N 6.227 126.827 120.570 0.051 0.000 2.460 250 I HA 0.483 4.653 4.170 -0.001 0.000 0.277 250 I C 0.275 176.416 176.117 0.040 0.000 1.057 250 I CA -0.229 61.111 61.300 0.066 0.000 1.179 250 I CB 1.164 39.197 38.000 0.056 0.000 1.329 250 I HN 0.617 nan 8.210 nan 0.000 0.478 251 A N 4.126 126.977 122.820 0.052 0.000 2.387 251 A HA 0.454 4.774 4.320 -0.001 0.000 0.298 251 A C 0.897 178.510 177.584 0.049 0.000 1.165 251 A CA -0.530 51.531 52.037 0.041 0.000 0.814 251 A CB 1.353 20.380 19.000 0.044 0.000 1.357 251 A HN 0.695 nan 8.150 nan 0.000 0.443 252 E N -0.755 119.469 120.200 0.041 0.000 2.204 252 E HA -0.089 4.261 4.350 -0.001 0.000 0.195 252 E C -0.429 176.208 176.600 0.061 0.000 0.990 252 E CA 1.514 57.942 56.400 0.048 0.000 0.821 252 E CB 0.135 29.859 29.700 0.041 0.000 0.750 252 E HN 0.647 nan 8.360 nan 0.000 0.477 253 D N -2.336 118.101 120.400 0.062 0.000 2.951 253 D HA 0.044 4.683 4.640 -0.001 0.000 0.262 253 D C -1.991 174.352 176.300 0.072 0.000 1.110 253 D CA -0.477 53.566 54.000 0.071 0.000 0.724 253 D CB 1.149 41.987 40.800 0.064 0.000 1.516 253 D HN -0.142 nan 8.370 nan 0.000 0.447 254 V N 2.739 122.706 119.914 0.088 0.000 2.376 254 V HA 0.403 4.522 4.120 -0.001 0.000 0.287 254 V C 0.189 176.335 176.094 0.086 0.000 1.015 254 V CA -0.691 61.663 62.300 0.090 0.000 0.834 254 V CB 1.314 33.210 31.823 0.122 0.000 1.001 254 V HN 0.476 nan 8.190 nan 0.000 0.428 255 E N 2.627 122.866 120.200 0.065 0.000 2.392 255 E HA 0.283 4.633 4.350 -0.001 0.000 0.259 255 E C 1.447 178.077 176.600 0.050 0.000 1.108 255 E CA 0.414 56.846 56.400 0.054 0.000 0.916 255 E CB 1.117 30.841 29.700 0.040 0.000 0.989 255 E HN 0.766 nan 8.360 nan 0.000 0.432 256 G N 2.131 110.956 108.800 0.040 0.000 2.853 256 G HA2 -0.454 3.506 3.960 -0.001 0.000 0.234 256 G HA3 -0.454 3.506 3.960 -0.001 0.000 0.234 256 G C 1.374 176.286 174.900 0.019 0.000 1.198 256 G CA 1.773 46.890 45.100 0.029 0.000 0.767 256 G HN 0.652 nan 8.290 nan 0.000 0.657 257 E N 0.700 120.910 120.200 0.015 0.000 2.058 257 E HA 0.013 4.362 4.350 -0.001 0.000 0.194 257 E C 2.854 179.464 176.600 0.016 0.000 0.997 257 E CA 1.841 58.246 56.400 0.008 0.000 0.801 257 E CB -0.734 28.970 29.700 0.008 0.000 0.746 257 E HN 0.424 nan 8.360 nan 0.000 0.450 258 A N 0.359 123.197 122.820 0.030 0.000 1.883 258 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 258 A C 2.231 179.852 177.584 0.062 0.000 1.186 258 A CA 1.671 53.733 52.037 0.042 0.000 0.624 258 A CB -0.940 18.090 19.000 0.049 0.000 0.822 258 A HN 0.381 nan 8.150 nan 0.000 0.444 259 L N -0.253 121.013 121.223 0.073 0.000 2.012 259 L HA -0.119 4.221 4.340 -0.001 0.000 0.210 259 L C 2.769 179.663 176.870 0.039 0.000 1.073 259 L CA 2.226 57.129 54.840 0.104 0.000 0.748 259 L CB -0.827 41.291 42.059 0.098 0.000 0.891 259 L HN 0.381 nan 8.230 nan 0.000 0.431 260 A N -1.642 121.174 122.820 -0.007 0.000 1.892 260 A HA -0.264 4.056 4.320 -0.001 0.000 0.218 260 A C 2.278 179.836 177.584 -0.044 0.000 1.188 260 A CA 2.558 54.559 52.037 -0.059 0.000 0.631 260 A CB -1.307 17.661 19.000 -0.054 0.000 0.822 260 A HN 0.525 nan 8.150 nan 0.000 0.447 261 T N 0.566 115.117 114.554 -0.005 0.000 2.684 261 T HA -0.121 4.229 4.350 -0.001 0.000 0.267 261 T C 1.824 176.543 174.700 0.032 0.000 1.036 261 T CA 1.519 63.623 62.100 0.007 0.000 1.148 261 T CB -0.444 68.435 68.868 0.019 0.000 0.863 261 T HN 0.382 nan 8.240 nan 0.000 0.436 262 L N 0.605 121.875 121.223 0.078 0.000 1.989 262 L HA -0.121 4.219 4.340 -0.001 0.000 0.211 262 L C 2.721 179.686 176.870 0.157 0.000 1.071 262 L CA 1.086 56.015 54.840 0.150 0.000 0.749 262 L CB -0.901 41.315 42.059 0.261 0.000 0.890 262 L HN 0.139 nan 8.230 nan 0.000 0.431 263 V N -0.456 119.501 119.914 0.073 0.000 2.252 263 V HA -0.295 3.824 4.120 -0.001 0.000 0.249 263 V C 2.463 178.527 176.094 -0.049 0.000 1.056 263 V CA 1.838 64.106 62.300 -0.053 0.000 1.022 263 V CB -0.380 31.263 31.823 -0.300 0.000 0.641 263 V HN 0.188 nan 8.190 nan 0.000 0.445 264 V N 0.396 120.265 119.914 -0.075 0.000 2.219 264 V HA -0.370 3.749 4.120 -0.001 0.000 0.248 264 V C 2.100 178.184 176.094 -0.017 0.000 1.053 264 V CA 2.820 65.082 62.300 -0.063 0.000 1.009 264 V CB -1.068 30.719 31.823 -0.060 0.000 0.636 264 V HN 0.628 nan 8.190 nan 0.000 0.445 265 N N -0.007 118.697 118.700 0.007 0.000 2.149 265 N HA -0.187 4.552 4.740 -0.001 0.000 0.188 265 N C 1.868 177.400 175.510 0.036 0.000 1.019 265 N CA 1.811 54.874 53.050 0.021 0.000 0.857 265 N CB -0.240 38.264 38.487 0.029 0.000 0.997 265 N HN 0.733 nan 8.380 nan 0.000 0.426 266 T N -1.369 113.223 114.554 0.062 0.000 2.995 266 T HA -0.046 4.303 4.350 -0.001 0.000 0.269 266 T C 1.668 176.403 174.700 0.058 0.000 1.091 266 T CA 0.613 62.758 62.100 0.076 0.000 1.128 266 T CB -0.090 68.856 68.868 0.130 0.000 0.891 266 T HN 0.133 nan 8.240 nan 0.000 0.492 267 M N 0.245 119.869 119.600 0.040 0.000 2.562 267 M HA 0.230 4.709 4.480 -0.001 0.000 0.257 267 M C 1.881 178.188 176.300 0.011 0.000 1.099 267 M CA 0.735 56.047 55.300 0.021 0.000 1.099 267 M CB 0.058 32.653 32.600 -0.009 0.000 1.427 267 M HN 0.136 nan 8.290 nan 0.000 0.489 268 R N -1.032 119.475 120.500 0.011 0.000 2.362 268 R HA 0.243 4.583 4.340 -0.001 0.000 0.227 268 R C 1.184 177.491 176.300 0.012 0.000 0.905 268 R CA 0.567 56.670 56.100 0.006 0.000 1.067 268 R CB 0.409 30.710 30.300 0.002 0.000 1.078 268 R HN 0.535 nan 8.270 nan 0.000 0.516 269 G N 1.460 110.272 108.800 0.019 0.000 2.268 269 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.240 269 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.240 269 G C 0.265 175.179 174.900 0.024 0.000 1.010 269 G CA -0.345 44.767 45.100 0.020 0.000 0.618 269 G HN 0.226 nan 8.290 nan 0.000 0.516 270 I N 2.200 122.784 120.570 0.023 0.000 2.347 270 I HA 0.429 4.598 4.170 -0.001 0.000 0.294 270 I C 0.767 176.904 176.117 0.034 0.000 1.090 270 I CA -0.510 60.805 61.300 0.025 0.000 1.314 270 I CB 0.843 38.855 38.000 0.019 0.000 1.423 270 I HN 0.208 nan 8.210 nan 0.000 0.503 271 V N 5.317 125.254 119.914 0.038 0.000 3.541 271 V HA -0.229 3.891 4.120 -0.001 0.000 0.501 271 V C 0.124 176.251 176.094 0.053 0.000 0.682 271 V CA 0.393 62.722 62.300 0.047 0.000 2.045 271 V CB -1.016 30.834 31.823 0.045 0.000 2.474 271 V HN 0.807 nan 8.190 nan 0.000 0.507 272 K N 3.920 124.351 120.400 0.053 0.000 2.253 272 K HA 0.730 5.049 4.320 -0.001 0.000 0.277 272 K C -0.364 176.260 176.600 0.039 0.000 1.053 272 K CA -0.522 55.797 56.287 0.053 0.000 0.892 272 K CB 1.880 34.405 32.500 0.041 0.000 1.102 272 K HN 0.514 nan 8.250 nan 0.000 0.469 273 V N 1.071 121.006 119.914 0.036 0.000 3.102 273 V HA 0.835 4.955 4.120 -0.001 0.000 0.312 273 V C -0.947 175.000 176.094 -0.244 0.000 1.135 273 V CA -1.038 61.239 62.300 -0.038 0.000 1.022 273 V CB 1.988 33.820 31.823 0.016 0.000 1.056 273 V HN 0.862 nan 8.190 nan 0.000 0.436 274 A N 1.289 123.831 122.820 -0.463 0.000 2.555 274 A HA 0.947 5.266 4.320 -0.001 0.000 0.297 274 A C -0.872 176.343 177.584 -0.614 0.000 1.060 274 A CA 0.056 51.463 52.037 -1.049 0.000 0.710 274 A CB 1.593 20.250 19.000 -0.571 0.000 1.282 274 A HN 1.828 nan 8.150 nan 0.000 0.399 275 A N 0.849 123.288 122.820 -0.636 0.000 2.413 275 A HA 0.967 5.286 4.320 -0.001 0.000 0.307 275 A C -0.361 177.245 177.584 0.036 0.000 1.087 275 A CA -0.111 51.851 52.037 -0.124 0.000 0.750 275 A CB 1.555 20.574 19.000 0.031 0.000 1.296 275 A HN 2.412 nan 8.150 nan 0.000 0.423 276 V N -1.276 118.691 119.914 0.089 0.000 3.087 276 V HA 0.617 4.737 4.120 -0.001 0.000 0.306 276 V C -0.684 175.503 176.094 0.156 0.000 1.187 276 V CA -1.234 61.149 62.300 0.138 0.000 0.999 276 V CB 1.488 33.389 31.823 0.130 0.000 1.049 276 V HN 0.897 nan 8.190 nan 0.000 0.431 277 K N 1.898 122.392 120.400 0.157 0.000 2.258 277 K HA 0.671 4.990 4.320 -0.001 0.000 0.264 277 K C 0.465 177.165 176.600 0.166 0.000 1.007 277 K CA 0.307 56.678 56.287 0.140 0.000 0.941 277 K CB 1.210 33.783 32.500 0.121 0.000 0.966 277 K HN 1.156 nan 8.250 nan 0.000 0.480 278 A N 3.725 126.600 122.820 0.091 0.000 2.445 278 A HA 0.209 4.529 4.320 -0.001 0.000 0.242 278 A C -2.038 175.565 177.584 0.032 0.000 1.075 278 A CA -1.107 50.937 52.037 0.011 0.000 0.777 278 A CB -0.363 18.625 19.000 -0.020 0.000 1.013 278 A HN 0.471 nan 8.150 nan 0.000 0.493 279 P HA 0.358 nan 4.420 nan 0.000 0.271 279 P C 0.694 178.015 177.300 0.035 0.000 1.218 279 P CA 1.405 64.513 63.100 0.013 0.000 0.780 279 P CB 0.571 32.157 31.700 -0.191 0.000 0.901 280 G N 2.047 110.919 108.800 0.120 0.000 2.749 280 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.242 280 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.242 280 G C -0.686 174.358 174.900 0.239 0.000 1.364 280 G CA 0.134 45.333 45.100 0.166 0.000 0.888 280 G HN 0.745 nan 8.290 nan 0.000 0.566 281 F N -2.658 117.308 119.950 0.026 0.000 2.726 281 F HA 0.841 5.367 4.527 -0.001 0.000 0.324 281 F C 1.134 176.949 175.800 0.024 0.000 1.140 281 F CA 0.197 58.211 58.000 0.024 0.000 0.964 281 F CB 0.810 39.828 39.000 0.031 0.000 1.399 281 F HN 2.424 nan 8.300 nan 0.000 0.491 282 G N 1.056 109.828 108.800 -0.047 0.000 2.583 282 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.292 282 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.292 282 G C 0.301 175.115 174.900 -0.143 0.000 1.203 282 G CA 0.713 45.725 45.100 -0.147 0.000 0.987 282 G HN 0.855 nan 8.290 nan 0.000 0.554 283 D N 1.027 121.322 120.400 -0.174 0.000 2.183 283 D HA -0.016 4.623 4.640 -0.001 0.000 0.205 283 D C 2.487 178.708 176.300 -0.132 0.000 0.962 283 D CA 1.240 55.170 54.000 -0.116 0.000 0.849 283 D CB -0.199 40.549 40.800 -0.087 0.000 0.978 283 D HN 0.688 nan 8.370 nan 0.000 0.488 284 R N 1.210 121.596 120.500 -0.190 0.000 2.341 284 R HA 0.005 4.345 4.340 -0.001 0.000 0.213 284 R C 2.018 178.236 176.300 -0.137 0.000 1.082 284 R CA 0.661 56.664 56.100 -0.162 0.000 1.017 284 R CB -0.250 29.936 30.300 -0.191 0.000 0.860 284 R HN 0.064 nan 8.270 nan 0.000 0.473 285 R N 1.671 122.091 120.500 -0.133 0.000 2.066 285 R HA 0.005 4.344 4.340 -0.001 0.000 0.224 285 R C 1.456 177.710 176.300 -0.077 0.000 1.122 285 R CA 1.106 57.155 56.100 -0.085 0.000 0.974 285 R CB 0.030 30.305 30.300 -0.041 0.000 0.871 285 R HN 0.195 nan 8.270 nan 0.000 0.435 286 K N 0.326 120.686 120.400 -0.067 0.000 2.103 286 K HA -0.102 4.218 4.320 -0.001 0.000 0.207 286 K C 2.090 178.652 176.600 -0.063 0.000 1.048 286 K CA 1.476 57.729 56.287 -0.056 0.000 0.930 286 K CB -0.125 32.349 32.500 -0.044 0.000 0.716 286 K HN 0.226 nan 8.250 nan 0.000 0.444 287 A N 1.457 124.234 122.820 -0.071 0.000 1.855 287 A HA -0.153 4.166 4.320 -0.001 0.000 0.215 287 A C 2.171 179.707 177.584 -0.080 0.000 1.191 287 A CA 1.476 53.471 52.037 -0.069 0.000 0.613 287 A CB -0.472 18.485 19.000 -0.072 0.000 0.829 287 A HN 0.157 nan 8.150 nan 0.000 0.442 288 M N -0.755 118.787 119.600 -0.096 0.000 2.149 288 M HA -0.107 4.373 4.480 -0.001 0.000 0.261 288 M C 2.225 178.438 176.300 -0.146 0.000 1.064 288 M CA 1.291 56.519 55.300 -0.121 0.000 1.102 288 M CB -0.481 32.036 32.600 -0.139 0.000 1.369 288 M HN 0.424 nan 8.290 nan 0.000 0.408 289 L N 0.083 121.226 121.223 -0.133 0.000 2.079 289 L HA -0.270 4.070 4.340 -0.001 0.000 0.210 289 L C 2.653 179.466 176.870 -0.095 0.000 1.081 289 L CA 1.433 56.195 54.840 -0.129 0.000 0.752 289 L CB -0.274 41.731 42.059 -0.090 0.000 0.896 289 L HN 0.343 nan 8.230 nan 0.000 0.433 290 Q N 0.090 119.845 119.800 -0.075 0.000 2.083 290 Q HA -0.206 4.133 4.340 -0.001 0.000 0.198 290 Q C 1.675 177.643 176.000 -0.053 0.000 0.969 290 Q CA 1.845 57.615 55.803 -0.054 0.000 0.838 290 Q CB -0.131 28.579 28.738 -0.045 0.000 0.900 290 Q HN 0.403 nan 8.270 nan 0.000 0.436 291 D N 0.095 120.457 120.400 -0.064 0.000 2.116 291 D HA -0.190 4.449 4.640 -0.001 0.000 0.193 291 D C 1.863 178.134 176.300 -0.049 0.000 0.998 291 D CA 1.602 55.569 54.000 -0.054 0.000 0.836 291 D CB -0.285 40.478 40.800 -0.061 0.000 0.951 291 D HN 0.393 nan 8.370 nan 0.000 0.449 292 I N 1.002 121.526 120.570 -0.077 0.000 2.286 292 I HA -0.260 3.910 4.170 -0.001 0.000 0.248 292 I C 2.483 178.583 176.117 -0.029 0.000 1.115 292 I CA 0.951 62.214 61.300 -0.062 0.000 1.392 292 I CB -0.303 37.624 38.000 -0.122 0.000 1.065 292 I HN -0.066 nan 8.210 nan 0.000 0.418 293 A N 0.821 123.621 122.820 -0.034 0.000 1.858 293 A HA -0.208 4.112 4.320 -0.001 0.000 0.216 293 A C 2.417 179.997 177.584 -0.006 0.000 1.190 293 A CA 2.562 54.590 52.037 -0.015 0.000 0.617 293 A CB -1.190 17.797 19.000 -0.021 0.000 0.827 293 A HN 0.370 nan 8.150 nan 0.000 0.443 294 T N 0.477 115.023 114.554 -0.012 0.000 2.720 294 T HA -0.122 4.228 4.350 -0.001 0.000 0.268 294 T C 1.818 176.518 174.700 -0.001 0.000 1.037 294 T CA 1.285 63.381 62.100 -0.007 0.000 1.144 294 T CB -0.306 68.555 68.868 -0.012 0.000 0.864 294 T HN 0.294 nan 8.240 nan 0.000 0.444 295 L N 1.963 123.186 121.223 -0.002 0.000 2.141 295 L HA -0.048 4.291 4.340 -0.001 0.000 0.209 295 L C 2.169 179.048 176.870 0.014 0.000 1.094 295 L CA 2.155 56.999 54.840 0.006 0.000 0.763 295 L CB -1.218 40.846 42.059 0.008 0.000 0.908 295 L HN 0.450 nan 8.230 nan 0.000 0.437 296 T N -4.307 110.257 114.554 0.018 0.000 3.069 296 T HA 0.289 4.638 4.350 -0.001 0.000 0.252 296 T C 1.233 175.952 174.700 0.033 0.000 1.053 296 T CA 0.329 62.446 62.100 0.028 0.000 0.964 296 T CB 0.053 68.945 68.868 0.040 0.000 1.005 296 T HN 0.496 nan 8.240 nan 0.000 0.532 297 G N 0.559 109.373 108.800 0.023 0.000 2.221 297 G HA2 0.009 3.969 3.960 -0.001 0.000 0.265 297 G HA3 0.009 3.969 3.960 -0.001 0.000 0.265 297 G C 0.324 175.242 174.900 0.031 0.000 1.041 297 G CA -0.173 44.942 45.100 0.025 0.000 0.807 297 G HN 1.047 nan 8.290 nan 0.000 0.502 298 G N -1.701 107.115 108.800 0.026 0.000 2.597 298 G HA2 0.751 4.710 3.960 -0.001 0.000 0.317 298 G HA3 0.751 4.710 3.960 -0.001 0.000 0.317 298 G C -0.436 174.469 174.900 0.007 0.000 1.230 298 G CA 0.112 45.227 45.100 0.025 0.000 0.996 298 G HN 0.585 nan 8.290 nan 0.000 0.490 299 T N 0.471 115.025 114.554 0.001 0.000 2.792 299 T HA 0.414 4.763 4.350 -0.001 0.000 0.280 299 T C 0.142 174.835 174.700 -0.011 0.000 0.990 299 T CA -0.267 61.829 62.100 -0.007 0.000 0.960 299 T CB 1.582 70.444 68.868 -0.009 0.000 0.939 299 T HN 0.338 nan 8.240 nan 0.000 0.439 300 V N 4.796 124.701 119.914 -0.015 0.000 2.637 300 V HA 0.224 4.344 4.120 -0.001 0.000 0.296 300 V C 0.380 176.465 176.094 -0.015 0.000 1.046 300 V CA -0.154 62.136 62.300 -0.017 0.000 1.066 300 V CB 0.342 32.151 31.823 -0.023 0.000 0.968 300 V HN 0.773 nan 8.190 nan 0.000 0.483 301 I N 5.226 125.788 120.570 -0.013 0.000 2.347 301 I HA 0.279 4.448 4.170 -0.001 0.000 0.283 301 I C 0.291 176.402 176.117 -0.009 0.000 1.058 301 I CA 0.091 61.384 61.300 -0.011 0.000 1.202 301 I CB 0.942 38.935 38.000 -0.011 0.000 1.386 301 I HN 0.724 nan 8.210 nan 0.000 0.475 302 S N 3.046 118.740 115.700 -0.009 0.000 2.509 302 S HA 0.404 4.873 4.470 -0.001 0.000 0.297 302 S C 0.605 175.202 174.600 -0.004 0.000 1.118 302 S CA -0.828 57.368 58.200 -0.006 0.000 1.074 302 S CB 2.185 65.380 63.200 -0.009 0.000 1.038 302 S HN 0.563 nan 8.310 nan 0.000 0.498 303 E N 1.533 121.732 120.200 -0.001 0.000 2.150 303 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 303 E C 1.486 178.085 176.600 -0.001 0.000 0.985 303 E CA 1.108 57.508 56.400 -0.000 0.000 0.814 303 E CB -0.079 29.623 29.700 0.003 0.000 0.752 303 E HN 0.804 nan 8.360 nan 0.000 0.466 304 E N 0.932 121.131 120.200 -0.001 0.000 2.048 304 E HA -0.221 4.128 4.350 -0.001 0.000 0.202 304 E C 2.023 178.621 176.600 -0.003 0.000 1.021 304 E CA 1.182 57.581 56.400 -0.002 0.000 0.825 304 E CB -0.248 29.450 29.700 -0.003 0.000 0.756 304 E HN 0.307 nan 8.360 nan 0.000 0.454 305 I N -0.023 120.544 120.570 -0.005 0.000 3.083 305 I HA -0.077 4.093 4.170 -0.001 0.000 0.273 305 I C 1.337 177.451 176.117 -0.005 0.000 1.297 305 I CA 0.733 62.030 61.300 -0.006 0.000 1.452 305 I CB -0.338 37.657 38.000 -0.007 0.000 1.078 305 I HN 0.345 nan 8.210 nan 0.000 0.484 306 G N 1.104 109.901 108.800 -0.004 0.000 2.130 306 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.216 306 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.216 306 G C 0.205 175.102 174.900 -0.005 0.000 0.999 306 G CA -0.351 44.747 45.100 -0.004 0.000 0.686 306 G HN 0.240 nan 8.290 nan 0.000 0.515 307 M N 0.193 119.789 119.600 -0.006 0.000 2.255 307 M HA 0.531 5.010 4.480 -0.001 0.000 0.336 307 M C 0.405 176.701 176.300 -0.006 0.000 1.135 307 M CA 0.199 55.495 55.300 -0.007 0.000 1.145 307 M CB 0.889 33.484 32.600 -0.009 0.000 1.473 307 M HN 0.243 nan 8.290 nan 0.000 0.462 308 E N 1.265 121.461 120.200 -0.008 0.000 2.256 308 E HA 0.303 4.652 4.350 -0.001 0.000 0.267 308 E C 0.134 176.728 176.600 -0.010 0.000 0.892 308 E CA -0.552 55.843 56.400 -0.007 0.000 0.775 308 E CB 2.266 31.962 29.700 -0.007 0.000 1.207 308 E HN 0.633 nan 8.360 nan 0.000 0.420 309 L N 1.437 122.655 121.223 -0.008 0.000 2.093 309 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 309 L C 1.664 178.525 176.870 -0.015 0.000 1.085 309 L CA 1.266 56.099 54.840 -0.011 0.000 0.755 309 L CB -0.200 41.855 42.059 -0.006 0.000 0.904 309 L HN 0.566 nan 8.230 nan 0.000 0.435 310 E N 0.399 120.592 120.200 -0.012 0.000 2.160 310 E HA -0.188 4.162 4.350 -0.001 0.000 0.195 310 E C 1.469 178.059 176.600 -0.018 0.000 0.991 310 E CA 1.014 57.406 56.400 -0.013 0.000 0.810 310 E CB -0.052 29.642 29.700 -0.009 0.000 0.742 310 E HN 0.347 nan 8.360 nan 0.000 0.466 311 K N 0.236 120.626 120.400 -0.018 0.000 2.469 311 K HA 0.315 4.634 4.320 -0.001 0.000 0.201 311 K C -0.147 176.437 176.600 -0.027 0.000 1.028 311 K CA -0.046 56.229 56.287 -0.020 0.000 1.170 311 K CB 0.821 33.312 32.500 -0.016 0.000 0.874 311 K HN 0.001 nan 8.250 nan 0.000 0.507 312 A N 1.945 124.746 122.820 -0.033 0.000 2.320 312 A HA 0.284 4.604 4.320 -0.001 0.000 0.287 312 A C 0.425 177.971 177.584 -0.063 0.000 1.181 312 A CA -0.403 51.608 52.037 -0.044 0.000 0.831 312 A CB 0.312 19.286 19.000 -0.043 0.000 1.102 312 A HN 0.241 nan 8.150 nan 0.000 0.513 313 T N 0.151 114.662 114.554 -0.071 0.000 2.948 313 T HA 0.509 4.858 4.350 -0.001 0.000 0.285 313 T C 1.154 175.765 174.700 -0.149 0.000 1.019 313 T CA -0.768 61.275 62.100 -0.095 0.000 1.013 313 T CB 0.599 69.425 68.868 -0.069 0.000 1.117 313 T HN 0.360 nan 8.240 nan 0.000 0.533 314 L N -0.001 121.095 121.223 -0.211 0.000 2.189 314 L HA -0.108 4.231 4.340 -0.001 0.000 0.214 314 L C 2.863 179.601 176.870 -0.219 0.000 1.097 314 L CA 1.735 56.351 54.840 -0.374 0.000 0.764 314 L CB -0.567 41.247 42.059 -0.408 0.000 0.900 314 L HN 0.873 nan 8.230 nan 0.000 0.436 315 E N -0.038 120.099 120.200 -0.105 0.000 2.268 315 E HA -0.205 4.144 4.350 -0.001 0.000 0.195 315 E C 1.330 177.912 176.600 -0.030 0.000 0.995 315 E CA 0.813 57.191 56.400 -0.038 0.000 0.836 315 E CB 0.198 29.884 29.700 -0.022 0.000 0.763 315 E HN 0.478 nan 8.360 nan 0.000 0.491 316 D N -0.109 120.258 120.400 -0.054 0.000 2.289 316 D HA -0.035 4.605 4.640 -0.001 0.000 0.207 316 D C 0.056 176.341 176.300 -0.026 0.000 0.966 316 D CA 0.226 54.205 54.000 -0.036 0.000 0.868 316 D CB 0.259 41.033 40.800 -0.043 0.000 0.943 316 D HN 0.122 nan 8.370 nan 0.000 0.514 317 L N 1.001 122.194 121.223 -0.050 0.000 2.426 317 L HA 0.271 4.611 4.340 -0.001 0.000 0.271 317 L C 1.499 178.430 176.870 0.100 0.000 1.169 317 L CA 0.009 54.849 54.840 -0.000 0.000 0.836 317 L CB 0.730 42.727 42.059 -0.102 0.000 1.112 317 L HN -0.156 nan 8.230 nan 0.000 0.465 318 G N 1.475 110.343 108.800 0.113 0.000 2.516 318 G HA2 0.467 4.426 3.960 -0.001 0.000 0.276 318 G HA3 0.467 4.426 3.960 -0.001 0.000 0.276 318 G C -0.867 174.136 174.900 0.171 0.000 1.390 318 G CA -0.161 45.006 45.100 0.111 0.000 1.050 318 G HN 0.575 nan 8.290 nan 0.000 0.519 319 Q N -2.493 117.366 119.800 0.098 0.000 2.503 319 Q HA 0.541 4.881 4.340 -0.001 0.000 0.268 319 Q C -1.304 174.701 176.000 0.008 0.000 0.982 319 Q CA -0.542 55.290 55.803 0.048 0.000 0.907 319 Q CB 1.938 30.701 28.738 0.041 0.000 1.467 319 Q HN 1.100 nan 8.270 nan 0.000 0.394 320 A N 2.036 124.841 122.820 -0.025 0.000 2.606 320 A HA 0.474 4.793 4.320 -0.001 0.000 0.293 320 A C -0.749 176.809 177.584 -0.044 0.000 1.082 320 A CA -0.629 51.396 52.037 -0.019 0.000 0.685 320 A CB 1.564 20.567 19.000 0.005 0.000 1.284 320 A HN 0.774 nan 8.150 nan 0.000 0.408 321 K N -0.482 119.898 120.400 -0.034 0.000 2.296 321 K HA 0.058 4.377 4.320 -0.001 0.000 0.200 321 K C 0.628 177.206 176.600 -0.036 0.000 1.048 321 K CA 1.141 57.404 56.287 -0.041 0.000 0.966 321 K CB 0.193 32.675 32.500 -0.030 0.000 0.754 321 K HN 0.537 nan 8.250 nan 0.000 0.466 322 R N 0.076 120.561 120.500 -0.024 0.000 2.633 322 R HA 0.147 4.486 4.340 -0.001 0.000 0.255 322 R C -1.988 174.306 176.300 -0.009 0.000 1.106 322 R CA -0.554 55.535 56.100 -0.019 0.000 0.959 322 R CB 1.590 31.881 30.300 -0.016 0.000 1.259 322 R HN -0.047 nan 8.270 nan 0.000 0.453 323 V N 0.753 120.663 119.914 -0.008 0.000 2.735 323 V HA 0.859 4.979 4.120 -0.001 0.000 0.310 323 V C -1.305 174.783 176.094 -0.010 0.000 1.061 323 V CA -0.626 61.671 62.300 -0.005 0.000 0.913 323 V CB 2.159 33.985 31.823 0.005 0.000 1.005 323 V HN 0.432 nan 8.190 nan 0.000 0.428 324 V N 5.771 125.672 119.914 -0.021 0.000 2.483 324 V HA 0.557 4.676 4.120 -0.001 0.000 0.297 324 V C -0.275 175.800 176.094 -0.033 0.000 1.027 324 V CA -0.286 62.005 62.300 -0.014 0.000 0.855 324 V CB 1.550 33.367 31.823 -0.011 0.000 0.995 324 V HN 0.857 nan 8.190 nan 0.000 0.424 325 I N 4.494 125.068 120.570 0.007 0.000 2.404 325 I HA 0.496 4.665 4.170 -0.001 0.000 0.293 325 I C 0.117 176.274 176.117 0.068 0.000 0.992 325 I CA -0.397 60.909 61.300 0.009 0.000 1.149 325 I CB 1.704 39.748 38.000 0.073 0.000 1.315 325 I HN 0.511 nan 8.210 nan 0.000 0.446 326 N N 3.835 122.497 118.700 -0.063 0.000 2.604 326 N HA 0.226 4.965 4.740 -0.001 0.000 0.297 326 N C 0.779 176.002 175.510 -0.479 0.000 1.266 326 N CA -0.514 52.473 53.050 -0.105 0.000 0.961 326 N CB 1.351 39.767 38.487 -0.117 0.000 1.166 326 N HN 0.547 nan 8.380 nan 0.000 0.601 327 K N -0.106 120.048 120.400 -0.409 0.000 2.280 327 K HA -0.133 4.186 4.320 -0.001 0.000 0.202 327 K C -0.627 175.636 176.600 -0.562 0.000 1.047 327 K CA 1.782 57.684 56.287 -0.642 0.000 0.942 327 K CB 0.020 32.413 32.500 -0.179 0.000 0.739 327 K HN 0.617 nan 8.250 nan 0.000 0.457 328 D N -1.480 118.706 120.400 -0.357 0.000 3.285 328 D HA 0.102 4.741 4.640 -0.001 0.000 0.314 328 D C -0.846 175.341 176.300 -0.188 0.000 1.601 328 D CA -0.499 53.357 54.000 -0.240 0.000 0.772 328 D CB 0.461 41.170 40.800 -0.151 0.000 1.312 328 D HN -0.114 nan 8.370 nan 0.000 0.550 329 T N -0.449 113.969 114.554 -0.227 0.000 2.982 329 T HA 0.635 4.985 4.350 -0.001 0.000 0.321 329 T C -1.484 173.030 174.700 -0.311 0.000 1.229 329 T CA -0.330 61.631 62.100 -0.232 0.000 1.044 329 T CB 2.031 70.811 68.868 -0.147 0.000 1.184 329 T HN -0.031 nan 8.240 nan 0.000 0.477 330 T N 2.087 116.327 114.554 -0.523 0.000 2.879 330 T HA 0.630 4.980 4.350 -0.001 0.000 0.290 330 T C -0.840 173.544 174.700 -0.527 0.000 0.993 330 T CA -0.532 61.208 62.100 -0.600 0.000 0.975 330 T CB 1.624 69.898 68.868 -0.990 0.000 0.981 330 T HN 0.600 nan 8.240 nan 0.000 0.439 331 T N 3.731 118.145 114.554 -0.233 0.000 2.840 331 T HA 0.648 4.997 4.350 -0.001 0.000 0.287 331 T C -0.648 174.039 174.700 -0.021 0.000 0.991 331 T CA -0.661 61.380 62.100 -0.099 0.000 0.964 331 T CB 0.197 69.025 68.868 -0.065 0.000 0.954 331 T HN 0.490 nan 8.240 nan 0.000 0.438 332 I N 6.270 126.868 120.570 0.046 0.000 2.315 332 I HA 0.420 4.590 4.170 -0.001 0.000 0.291 332 I C -0.161 175.977 176.117 0.036 0.000 1.006 332 I CA -0.729 60.607 61.300 0.060 0.000 1.265 332 I CB 1.156 39.224 38.000 0.113 0.000 1.387 332 I HN 0.554 nan 8.210 nan 0.000 0.475 333 I N 5.987 126.567 120.570 0.017 0.000 2.362 333 I HA 0.253 4.422 4.170 -0.001 0.000 0.289 333 I C -0.440 175.679 176.117 0.003 0.000 0.994 333 I CA -0.414 60.890 61.300 0.007 0.000 1.158 333 I CB 1.177 39.176 38.000 -0.002 0.000 1.315 333 I HN 0.567 nan 8.210 nan 0.000 0.451 334 D N 5.027 125.430 120.400 0.004 0.000 3.241 334 D HA -0.108 4.531 4.640 -0.001 0.000 0.248 334 D C 0.187 176.488 176.300 0.002 0.000 1.093 334 D CA 0.800 54.800 54.000 0.000 0.000 0.940 334 D CB -0.255 40.541 40.800 -0.007 0.000 0.980 334 D HN 0.838 nan 8.370 nan 0.000 0.421 335 G N 0.228 109.033 108.800 0.009 0.000 2.483 335 G HA2 0.367 4.327 3.960 -0.001 0.000 0.248 335 G HA3 0.367 4.327 3.960 -0.001 0.000 0.248 335 G C 1.457 176.362 174.900 0.008 0.000 1.248 335 G CA -0.287 44.821 45.100 0.012 0.000 0.838 335 G HN 0.271 nan 8.290 nan 0.000 0.566 336 V N 2.514 122.433 119.914 0.010 0.000 2.809 336 V HA 0.019 4.139 4.120 -0.001 0.000 0.256 336 V C 2.251 178.352 176.094 0.012 0.000 1.080 336 V CA 0.960 63.265 62.300 0.009 0.000 1.102 336 V CB -1.191 30.641 31.823 0.014 0.000 0.705 336 V HN 0.885 nan 8.190 nan 0.000 0.475 337 G N 1.392 110.201 108.800 0.014 0.000 2.238 337 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.234 337 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.234 337 G C 0.008 174.912 174.900 0.008 0.000 1.181 337 G CA -0.114 44.993 45.100 0.011 0.000 0.871 337 G HN 0.320 nan 8.290 nan 0.000 0.490 338 E N 1.626 121.830 120.200 0.007 0.000 2.384 338 E HA 0.009 4.358 4.350 -0.001 0.000 0.266 338 E C 1.429 178.030 176.600 0.002 0.000 1.012 338 E CA -0.211 56.191 56.400 0.004 0.000 0.901 338 E CB 0.929 30.631 29.700 0.004 0.000 0.967 338 E HN 0.626 nan 8.360 nan 0.000 0.435 339 E N 1.967 122.168 120.200 0.001 0.000 2.209 339 E HA -0.213 4.136 4.350 -0.001 0.000 0.196 339 E C 1.577 178.177 176.600 -0.001 0.000 0.993 339 E CA 1.139 57.539 56.400 0.000 0.000 0.819 339 E CB 0.117 29.817 29.700 -0.000 0.000 0.745 339 E HN 0.545 nan 8.360 nan 0.000 0.477 340 A N 1.505 124.325 122.820 -0.001 0.000 1.877 340 A HA -0.098 4.221 4.320 -0.001 0.000 0.216 340 A C 2.420 180.002 177.584 -0.002 0.000 1.186 340 A CA 1.913 53.949 52.037 -0.001 0.000 0.620 340 A CB -0.532 18.467 19.000 -0.001 0.000 0.822 340 A HN 0.286 nan 8.150 nan 0.000 0.443 341 A N -0.252 122.567 122.820 -0.002 0.000 1.898 341 A HA -0.004 4.315 4.320 -0.001 0.000 0.216 341 A C 2.145 179.726 177.584 -0.004 0.000 1.181 341 A CA 1.394 53.430 52.037 -0.003 0.000 0.620 341 A CB -0.569 18.430 19.000 -0.002 0.000 0.819 341 A HN 0.487 nan 8.150 nan 0.000 0.442 342 I N -0.968 119.600 120.570 -0.003 0.000 2.113 342 I HA -0.271 3.898 4.170 -0.001 0.000 0.238 342 I C 2.778 178.892 176.117 -0.005 0.000 1.070 342 I CA 1.800 63.098 61.300 -0.004 0.000 1.332 342 I CB -0.377 37.622 38.000 -0.001 0.000 1.044 342 I HN 0.325 nan 8.210 nan 0.000 0.402 343 Q N 1.283 121.080 119.800 -0.004 0.000 2.135 343 Q HA -0.149 4.190 4.340 -0.001 0.000 0.204 343 Q C 2.036 178.032 176.000 -0.006 0.000 0.981 343 Q CA 2.075 57.876 55.803 -0.005 0.000 0.856 343 Q CB -0.799 27.936 28.738 -0.004 0.000 0.902 343 Q HN 0.524 nan 8.270 nan 0.000 0.425 344 G N -0.266 108.530 108.800 -0.006 0.000 2.402 344 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.216 344 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.216 344 G C 1.550 176.445 174.900 -0.009 0.000 1.162 344 G CA 0.802 45.897 45.100 -0.007 0.000 0.777 344 G HN 0.355 nan 8.290 nan 0.000 0.539 345 R N 0.413 120.906 120.500 -0.010 0.000 2.091 345 R HA -0.046 4.293 4.340 -0.001 0.000 0.238 345 R C 2.523 178.814 176.300 -0.015 0.000 1.136 345 R CA 1.658 57.750 56.100 -0.014 0.000 0.959 345 R CB -0.919 29.373 30.300 -0.015 0.000 0.856 345 R HN 0.208 nan 8.270 nan 0.000 0.437 346 V N 0.900 120.806 119.914 -0.013 0.000 2.407 346 V HA -0.226 3.894 4.120 -0.001 0.000 0.248 346 V C 2.397 178.483 176.094 -0.013 0.000 1.055 346 V CA 1.888 64.180 62.300 -0.013 0.000 1.049 346 V CB -1.046 30.771 31.823 -0.010 0.000 0.662 346 V HN 0.563 nan 8.190 nan 0.000 0.455 347 A N -0.527 122.286 122.820 -0.011 0.000 1.883 347 A HA -0.312 4.007 4.320 -0.001 0.000 0.217 347 A C 2.192 179.768 177.584 -0.013 0.000 1.186 347 A CA 2.096 54.127 52.037 -0.011 0.000 0.624 347 A CB -0.537 18.457 19.000 -0.009 0.000 0.822 347 A HN 0.629 nan 8.150 nan 0.000 0.444 348 Q N -0.542 119.250 119.800 -0.014 0.000 2.096 348 Q HA -0.151 4.188 4.340 -0.001 0.000 0.204 348 Q C 2.031 178.019 176.000 -0.019 0.000 0.982 348 Q CA 1.700 57.494 55.803 -0.016 0.000 0.850 348 Q CB -0.393 28.335 28.738 -0.017 0.000 0.901 348 Q HN 0.776 nan 8.270 nan 0.000 0.422 349 I N 0.017 120.575 120.570 -0.021 0.000 2.439 349 I HA -0.209 3.960 4.170 -0.001 0.000 0.251 349 I C 2.248 178.350 176.117 -0.024 0.000 1.139 349 I CA 0.866 62.150 61.300 -0.026 0.000 1.438 349 I CB -0.199 37.784 38.000 -0.029 0.000 1.085 349 I HN 0.097 nan 8.210 nan 0.000 0.427 350 R N 0.372 120.860 120.500 -0.019 0.000 2.189 350 R HA -0.101 4.238 4.340 -0.001 0.000 0.218 350 R C 2.240 178.531 176.300 -0.015 0.000 1.074 350 R CA 0.908 56.997 56.100 -0.017 0.000 0.991 350 R CB -0.029 30.263 30.300 -0.014 0.000 0.883 350 R HN 0.469 nan 8.270 nan 0.000 0.457 351 Q N -0.330 119.462 119.800 -0.015 0.000 2.212 351 Q HA -0.086 4.254 4.340 -0.001 0.000 0.199 351 Q C 1.940 177.931 176.000 -0.014 0.000 0.950 351 Q CA 0.694 56.490 55.803 -0.013 0.000 0.863 351 Q CB 0.279 29.010 28.738 -0.011 0.000 0.944 351 Q HN 0.338 nan 8.270 nan 0.000 0.465 352 Q N 0.602 120.391 119.800 -0.018 0.000 2.096 352 Q HA -0.172 4.167 4.340 -0.001 0.000 0.204 352 Q C 2.111 178.099 176.000 -0.021 0.000 0.982 352 Q CA 1.204 56.994 55.803 -0.021 0.000 0.850 352 Q CB -0.297 28.424 28.738 -0.028 0.000 0.901 352 Q HN 0.483 nan 8.270 nan 0.000 0.422 353 I N 1.105 121.662 120.570 -0.022 0.000 2.454 353 I HA -0.241 3.928 4.170 -0.001 0.000 0.254 353 I C 2.160 178.268 176.117 -0.014 0.000 1.156 353 I CA 0.903 62.190 61.300 -0.022 0.000 1.433 353 I CB -0.267 37.719 38.000 -0.022 0.000 1.082 353 I HN 0.149 nan 8.210 nan 0.000 0.432 354 E N 1.250 121.443 120.200 -0.012 0.000 2.016 354 E HA -0.168 4.182 4.350 -0.001 0.000 0.190 354 E C 1.800 178.397 176.600 -0.006 0.000 0.985 354 E CA 1.114 57.509 56.400 -0.008 0.000 0.802 354 E CB -0.415 29.281 29.700 -0.007 0.000 0.762 354 E HN 0.567 nan 8.360 nan 0.000 0.448 355 E N 1.228 121.424 120.200 -0.007 0.000 2.515 355 E HA 0.072 4.421 4.350 -0.001 0.000 0.201 355 E C 0.241 176.839 176.600 -0.004 0.000 1.071 355 E CA 0.037 56.434 56.400 -0.005 0.000 0.880 355 E CB -0.030 29.666 29.700 -0.007 0.000 0.828 355 E HN 0.086 nan 8.360 nan 0.000 0.540 356 A N 1.784 124.601 122.820 -0.005 0.000 2.491 356 A HA 0.066 4.385 4.320 -0.001 0.000 0.261 356 A C 1.036 178.623 177.584 0.005 0.000 1.101 356 A CA 0.067 52.102 52.037 -0.003 0.000 0.772 356 A CB -0.100 18.895 19.000 -0.009 0.000 1.043 356 A HN 0.194 nan 8.150 nan 0.000 0.501 357 T N -0.351 114.210 114.554 0.011 0.000 3.264 357 T HA 0.491 4.840 4.350 -0.001 0.000 0.257 357 T C 0.165 174.881 174.700 0.025 0.000 0.976 357 T CA 0.235 62.344 62.100 0.015 0.000 0.908 357 T CB -0.576 68.300 68.868 0.014 0.000 1.082 357 T HN 1.087 nan 8.240 nan 0.000 0.567 358 S N -0.883 114.836 115.700 0.031 0.000 2.578 358 S HA 0.330 4.800 4.470 -0.001 0.000 0.272 358 S C -0.643 173.988 174.600 0.052 0.000 1.145 358 S CA -0.620 57.611 58.200 0.052 0.000 0.835 358 S CB 1.305 64.554 63.200 0.082 0.000 1.104 358 S HN 0.086 nan 8.310 nan 0.000 0.458 359 D N 0.917 121.359 120.400 0.070 0.000 2.162 359 D HA 0.001 4.640 4.640 -0.001 0.000 0.205 359 D C 1.364 177.712 176.300 0.081 0.000 0.964 359 D CA 1.084 55.121 54.000 0.062 0.000 0.847 359 D CB -0.224 40.614 40.800 0.063 0.000 0.988 359 D HN 0.599 nan 8.370 nan 0.000 0.480 360 Y N 2.595 122.897 120.300 0.004 0.000 2.049 360 Y HA -0.234 4.316 4.550 -0.001 0.000 0.277 360 Y C 1.513 177.412 175.900 -0.001 0.000 1.143 360 Y CA 2.002 60.105 58.100 0.005 0.000 1.115 360 Y CB -0.489 37.976 38.460 0.008 0.000 0.975 360 Y HN -0.169 nan 8.280 nan 0.000 0.487 361 D N -0.396 120.000 120.400 -0.008 0.000 2.228 361 D HA -0.195 4.444 4.640 -0.001 0.000 0.203 361 D C 2.190 178.413 176.300 -0.128 0.000 0.988 361 D CA 1.549 55.487 54.000 -0.103 0.000 0.864 361 D CB -0.255 40.556 40.800 0.017 0.000 0.928 361 D HN 0.345 nan 8.370 nan 0.000 0.469 362 R N 0.379 120.832 120.500 -0.078 0.000 2.062 362 R HA -0.084 4.255 4.340 -0.001 0.000 0.226 362 R C 1.665 177.910 176.300 -0.091 0.000 1.125 362 R CA 0.878 56.941 56.100 -0.063 0.000 0.966 362 R CB 0.190 30.475 30.300 -0.024 0.000 0.861 362 R HN 0.028 nan 8.270 nan 0.000 0.433 363 E N 0.882 121.014 120.200 -0.113 0.000 2.110 363 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 363 E C 1.805 178.309 176.600 -0.160 0.000 0.988 363 E CA 1.002 57.334 56.400 -0.113 0.000 0.804 363 E CB -0.051 29.594 29.700 -0.093 0.000 0.745 363 E HN 0.190 nan 8.360 nan 0.000 0.458 364 K N 0.609 120.843 120.400 -0.277 0.000 2.097 364 K HA -0.010 4.310 4.320 -0.001 0.000 0.205 364 K C 2.372 178.879 176.600 -0.155 0.000 1.050 364 K CA 0.497 56.627 56.287 -0.263 0.000 0.938 364 K CB -0.385 31.871 32.500 -0.406 0.000 0.718 364 K HN 0.202 nan 8.250 nan 0.000 0.442 365 L N 0.870 122.014 121.223 -0.132 0.000 2.109 365 L HA -0.153 4.186 4.340 -0.001 0.000 0.207 365 L C 2.531 179.363 176.870 -0.064 0.000 1.086 365 L CA 1.058 55.846 54.840 -0.086 0.000 0.760 365 L CB -0.325 41.691 42.059 -0.071 0.000 0.910 365 L HN 0.203 nan 8.230 nan 0.000 0.437 366 Q N -0.129 119.634 119.800 -0.062 0.000 2.084 366 Q HA -0.222 4.117 4.340 -0.001 0.000 0.202 366 Q C 2.062 178.040 176.000 -0.036 0.000 0.978 366 Q CA 1.374 57.152 55.803 -0.042 0.000 0.844 366 Q CB -0.090 28.627 28.738 -0.036 0.000 0.898 366 Q HN 0.522 nan 8.270 nan 0.000 0.426 367 E N 0.563 120.735 120.200 -0.046 0.000 2.085 367 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 367 E C 2.099 178.684 176.600 -0.025 0.000 0.994 367 E CA 0.861 57.242 56.400 -0.032 0.000 0.801 367 E CB -0.014 29.663 29.700 -0.039 0.000 0.743 367 E HN 0.264 nan 8.360 nan 0.000 0.453 368 R N 0.357 120.834 120.500 -0.038 0.000 2.073 368 R HA -0.126 4.214 4.340 -0.001 0.000 0.234 368 R C 2.720 179.006 176.300 -0.023 0.000 1.134 368 R CA 1.630 57.710 56.100 -0.033 0.000 0.952 368 R CB -0.627 29.644 30.300 -0.048 0.000 0.850 368 R HN 0.222 nan 8.270 nan 0.000 0.433 369 V N -1.463 118.436 119.914 -0.025 0.000 2.427 369 V HA -0.077 4.043 4.120 -0.001 0.000 0.248 369 V C 2.368 178.456 176.094 -0.010 0.000 1.051 369 V CA 1.681 63.971 62.300 -0.018 0.000 1.048 369 V CB -1.042 30.770 31.823 -0.019 0.000 0.666 369 V HN 0.229 nan 8.190 nan 0.000 0.456 370 A N 0.632 123.446 122.820 -0.009 0.000 1.908 370 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 370 A C 2.341 179.927 177.584 0.004 0.000 1.181 370 A CA 2.392 54.427 52.037 -0.003 0.000 0.627 370 A CB -0.588 18.411 19.000 -0.002 0.000 0.818 370 A HN 0.640 nan 8.150 nan 0.000 0.445 371 K N -1.212 119.192 120.400 0.007 0.000 2.001 371 K HA -0.046 4.273 4.320 -0.001 0.000 0.208 371 K C 1.927 178.536 176.600 0.015 0.000 1.048 371 K CA 1.254 57.552 56.287 0.019 0.000 0.932 371 K CB -0.347 32.169 32.500 0.028 0.000 0.715 371 K HN 0.322 nan 8.250 nan 0.000 0.437 372 L N 0.843 122.069 121.223 0.005 0.000 2.046 372 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 372 L C 2.141 179.012 176.870 0.002 0.000 1.077 372 L CA 1.839 56.679 54.840 0.002 0.000 0.747 372 L CB -0.673 41.381 42.059 -0.008 0.000 0.896 372 L HN 0.163 nan 8.230 nan 0.000 0.432 373 A N -1.418 121.402 122.820 -0.001 0.000 1.935 373 A HA 0.117 4.437 4.320 -0.001 0.000 0.214 373 A C 2.297 179.881 177.584 0.001 0.000 1.178 373 A CA 0.943 52.980 52.037 -0.001 0.000 0.640 373 A CB -1.205 17.793 19.000 -0.004 0.000 0.825 373 A HN 0.447 nan 8.150 nan 0.000 0.447 374 G N -0.632 108.170 108.800 0.003 0.000 2.432 374 G HA2 0.304 4.264 3.960 -0.001 0.000 0.219 374 G HA3 0.304 4.264 3.960 -0.001 0.000 0.219 374 G C 1.230 176.133 174.900 0.005 0.000 1.135 374 G CA 0.898 46.000 45.100 0.004 0.000 0.767 374 G HN 1.678 nan 8.290 nan 0.000 0.550 375 G N -1.772 107.032 108.800 0.008 0.000 2.645 375 G HA2 -0.005 3.955 3.960 -0.001 0.000 0.239 375 G HA3 -0.005 3.955 3.960 -0.001 0.000 0.239 375 G C -0.625 174.281 174.900 0.009 0.000 1.331 375 G CA -0.187 44.918 45.100 0.008 0.000 0.890 375 G HN 1.096 nan 8.290 nan 0.000 0.572 376 V N 0.231 120.148 119.914 0.005 0.000 2.668 376 V HA 0.704 4.823 4.120 -0.001 0.000 0.304 376 V C 0.626 176.718 176.094 -0.004 0.000 1.071 376 V CA -0.073 62.228 62.300 0.002 0.000 0.894 376 V CB 1.409 33.235 31.823 0.005 0.000 1.008 376 V HN 2.137 nan 8.190 nan 0.000 0.425 377 A N 4.607 127.423 122.820 -0.008 0.000 2.362 377 A HA 0.707 5.026 4.320 -0.001 0.000 0.276 377 A C -0.406 177.169 177.584 -0.015 0.000 1.153 377 A CA -0.253 51.778 52.037 -0.011 0.000 0.813 377 A CB 0.588 19.580 19.000 -0.013 0.000 1.081 377 A HN 0.779 nan 8.150 nan 0.000 0.507 378 V N 5.162 125.068 119.914 -0.014 0.000 2.334 378 V HA 0.276 4.395 4.120 -0.001 0.000 0.281 378 V C -0.099 175.985 176.094 -0.017 0.000 1.016 378 V CA -0.133 62.157 62.300 -0.016 0.000 0.832 378 V CB 0.948 32.763 31.823 -0.013 0.000 0.999 378 V HN 0.735 nan 8.190 nan 0.000 0.439 379 I N 5.261 125.819 120.570 -0.021 0.000 2.304 379 I HA 0.367 4.537 4.170 -0.001 0.000 0.291 379 I C 0.282 176.388 176.117 -0.018 0.000 1.018 379 I CA -0.371 60.917 61.300 -0.020 0.000 1.260 379 I CB 1.017 39.002 38.000 -0.026 0.000 1.390 379 I HN 0.484 nan 8.210 nan 0.000 0.475 380 K N 6.171 126.563 120.400 -0.015 0.000 2.299 380 K HA 0.373 4.692 4.320 -0.001 0.000 0.268 380 K C -0.622 175.971 176.600 -0.012 0.000 1.075 380 K CA -0.633 55.646 56.287 -0.013 0.000 0.936 380 K CB 1.634 34.128 32.500 -0.011 0.000 1.228 380 K HN 0.339 nan 8.250 nan 0.000 0.454 381 V N 2.989 122.896 119.914 -0.012 0.000 2.720 381 V HA -0.080 4.039 4.120 -0.001 0.000 0.307 381 V C 1.531 177.620 176.094 -0.008 0.000 1.071 381 V CA 0.412 62.705 62.300 -0.010 0.000 1.199 381 V CB 0.485 32.302 31.823 -0.010 0.000 0.900 381 V HN 0.953 nan 8.190 nan 0.000 0.494 382 G N 3.001 111.797 108.800 -0.008 0.000 2.413 382 G HA2 0.428 4.387 3.960 -0.001 0.000 0.300 382 G HA3 0.428 4.387 3.960 -0.001 0.000 0.300 382 G C 0.306 175.203 174.900 -0.006 0.000 1.370 382 G CA 0.537 45.633 45.100 -0.007 0.000 1.110 382 G HN 1.282 nan 8.290 nan 0.000 0.596 383 A N -3.019 119.798 122.820 -0.005 0.000 3.117 383 A HA 0.845 5.164 4.320 -0.001 0.000 0.158 383 A C 0.414 177.996 177.584 -0.004 0.000 1.138 383 A CA 0.970 53.005 52.037 -0.004 0.000 2.059 383 A CB -0.433 18.564 19.000 -0.004 0.000 2.607 383 A HN 2.623 nan 8.150 nan 0.000 1.059 384 A N -0.475 122.343 122.820 -0.003 0.000 2.419 384 A HA 0.549 4.868 4.320 -0.001 0.000 0.262 384 A C 1.032 178.614 177.584 -0.002 0.000 1.352 384 A CA 1.293 53.328 52.037 -0.003 0.000 0.709 384 A CB -2.625 16.373 19.000 -0.003 0.000 1.150 384 A HN 3.518 nan 8.150 nan 0.000 0.329 385 T N -1.630 112.923 114.554 -0.002 0.000 0.552 385 T HA -0.081 4.268 4.350 -0.001 0.000 0.773 385 T C 0.312 175.011 174.700 -0.002 0.000 0.992 385 T CA 1.475 63.574 62.100 -0.002 0.000 4.070 385 T CB -1.208 67.659 68.868 -0.002 0.000 2.299 385 T HN 1.990 nan 8.240 nan 0.000 0.397 386 E N 1.457 121.656 120.200 -0.001 0.000 2.219 386 E HA -0.134 4.215 4.350 -0.001 0.000 0.198 386 E C 1.972 178.572 176.600 -0.001 0.000 0.998 386 E CA 2.075 58.474 56.400 -0.001 0.000 0.818 386 E CB -0.098 29.601 29.700 -0.001 0.000 0.741 386 E HN 0.676 nan 8.360 nan 0.000 0.477 387 V N 1.041 120.955 119.914 -0.000 0.000 2.255 387 V HA -0.227 3.893 4.120 -0.001 0.000 0.243 387 V C 2.110 178.204 176.094 -0.000 0.000 1.038 387 V CA 2.113 64.413 62.300 0.000 0.000 1.008 387 V CB -0.631 31.192 31.823 0.000 0.000 0.645 387 V HN 0.258 nan 8.190 nan 0.000 0.449 388 E N -0.190 120.009 120.200 -0.001 0.000 2.118 388 E HA -0.256 4.093 4.350 -0.001 0.000 0.195 388 E C 2.195 178.794 176.600 -0.002 0.000 0.992 388 E CA 1.483 57.882 56.400 -0.001 0.000 0.804 388 E CB -0.261 29.438 29.700 -0.002 0.000 0.741 388 E HN 0.422 nan 8.360 nan 0.000 0.458 389 M N 1.065 120.663 119.600 -0.002 0.000 2.108 389 M HA -0.178 4.301 4.480 -0.001 0.000 0.261 389 M C 1.671 177.970 176.300 -0.002 0.000 1.066 389 M CA 1.561 56.860 55.300 -0.002 0.000 1.107 389 M CB -0.137 32.461 32.600 -0.003 0.000 1.356 389 M HN -0.104 nan 8.290 nan 0.000 0.406 390 K N 0.109 120.509 120.400 -0.000 0.000 2.155 390 K HA -0.129 4.191 4.320 -0.001 0.000 0.203 390 K C 1.873 178.474 176.600 0.002 0.000 1.052 390 K CA 0.999 57.286 56.287 0.001 0.000 0.948 390 K CB -0.565 31.936 32.500 0.002 0.000 0.728 390 K HN 0.505 nan 8.250 nan 0.000 0.448 391 E N 1.781 121.982 120.200 0.001 0.000 2.107 391 E HA -0.174 4.176 4.350 -0.001 0.000 0.191 391 E C 1.915 178.516 176.600 0.001 0.000 0.982 391 E CA 1.099 57.500 56.400 0.002 0.000 0.809 391 E CB 0.142 29.843 29.700 0.001 0.000 0.756 391 E HN 0.201 nan 8.360 nan 0.000 0.459 392 K N 1.020 121.419 120.400 -0.001 0.000 2.062 392 K HA -0.141 4.178 4.320 -0.001 0.000 0.205 392 K C 2.367 178.965 176.600 -0.003 0.000 1.051 392 K CA 1.270 57.555 56.287 -0.003 0.000 0.941 392 K CB -0.093 32.404 32.500 -0.004 0.000 0.719 392 K HN -0.073 nan 8.250 nan 0.000 0.440 393 K N 0.233 120.631 120.400 -0.003 0.000 2.160 393 K HA -0.170 4.150 4.320 -0.001 0.000 0.206 393 K C 1.853 178.452 176.600 -0.001 0.000 1.047 393 K CA 1.318 57.602 56.287 -0.005 0.000 0.930 393 K CB -0.144 32.354 32.500 -0.003 0.000 0.720 393 K HN 0.247 nan 8.250 nan 0.000 0.450 394 A N 1.380 124.203 122.820 0.005 0.000 1.873 394 A HA -0.119 4.201 4.320 -0.001 0.000 0.215 394 A C 2.058 179.651 177.584 0.014 0.000 1.186 394 A CA 1.242 53.287 52.037 0.013 0.000 0.616 394 A CB -0.416 18.592 19.000 0.013 0.000 0.823 394 A HN 0.317 nan 8.150 nan 0.000 0.442 395 R N -0.537 119.968 120.500 0.007 0.000 2.105 395 R HA -0.096 4.244 4.340 -0.001 0.000 0.239 395 R C 2.003 178.303 176.300 0.001 0.000 1.135 395 R CA 1.450 57.554 56.100 0.006 0.000 0.967 395 R CB -0.590 29.711 30.300 0.002 0.000 0.861 395 R HN 0.403 nan 8.270 nan 0.000 0.442 396 V N 1.004 120.913 119.914 -0.008 0.000 2.307 396 V HA -0.232 3.888 4.120 -0.001 0.000 0.245 396 V C 2.067 178.137 176.094 -0.040 0.000 1.045 396 V CA 1.812 64.099 62.300 -0.022 0.000 1.024 396 V CB -0.431 31.378 31.823 -0.025 0.000 0.651 396 V HN 0.321 nan 8.190 nan 0.000 0.449 397 E N -0.163 120.016 120.200 -0.034 0.000 2.085 397 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 397 E C 2.001 178.581 176.600 -0.034 0.000 0.994 397 E CA 1.580 57.942 56.400 -0.064 0.000 0.801 397 E CB -0.086 29.613 29.700 -0.001 0.000 0.743 397 E HN 0.617 nan 8.360 nan 0.000 0.453 398 D N -0.146 120.288 120.400 0.057 0.000 2.084 398 D HA -0.121 4.518 4.640 -0.001 0.000 0.196 398 D C 1.936 178.276 176.300 0.067 0.000 0.985 398 D CA 1.224 55.296 54.000 0.120 0.000 0.826 398 D CB -0.326 40.520 40.800 0.077 0.000 0.978 398 D HN 0.174 nan 8.370 nan 0.000 0.456 399 A N 1.144 123.976 122.820 0.020 0.000 1.958 399 A HA -0.208 4.111 4.320 -0.001 0.000 0.221 399 A C 2.187 179.764 177.584 -0.012 0.000 1.178 399 A CA 1.229 53.270 52.037 0.006 0.000 0.642 399 A CB -0.765 18.231 19.000 -0.006 0.000 0.816 399 A HN 0.225 nan 8.150 nan 0.000 0.453 400 L N -0.755 120.429 121.223 -0.064 0.000 1.994 400 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 400 L C 2.439 179.252 176.870 -0.095 0.000 1.071 400 L CA 2.304 57.074 54.840 -0.118 0.000 0.745 400 L CB -0.828 41.099 42.059 -0.219 0.000 0.892 400 L HN 0.530 nan 8.230 nan 0.000 0.431 401 H N -0.489 118.579 119.070 -0.003 0.000 2.352 401 H HA -0.081 4.475 4.556 -0.001 0.000 0.299 401 H C 2.111 177.439 175.328 0.000 0.000 1.097 401 H CA 1.480 57.527 56.048 -0.002 0.000 1.311 401 H CB -0.488 29.271 29.762 -0.004 0.000 1.377 401 H HN 0.511 nan 8.280 nan 0.000 0.504 402 A N 0.488 123.383 122.820 0.125 0.000 1.877 402 A HA -0.149 4.171 4.320 -0.001 0.000 0.216 402 A C 2.644 180.254 177.584 0.044 0.000 1.186 402 A CA 2.117 54.196 52.037 0.069 0.000 0.620 402 A CB -0.855 18.174 19.000 0.049 0.000 0.822 402 A HN 0.409 nan 8.150 nan 0.000 0.443 403 T N -0.682 113.889 114.554 0.028 0.000 2.821 403 T HA -0.120 4.230 4.350 -0.001 0.000 0.267 403 T C 2.084 176.794 174.700 0.018 0.000 1.046 403 T CA 1.611 63.719 62.100 0.015 0.000 1.139 403 T CB -0.212 68.656 68.868 0.000 0.000 0.871 403 T HN 0.474 nan 8.240 nan 0.000 0.454 404 R N 1.819 122.333 120.500 0.023 0.000 2.081 404 R HA 0.053 4.393 4.340 -0.001 0.000 0.235 404 R C 2.376 178.697 176.300 0.035 0.000 1.131 404 R CA 1.754 57.871 56.100 0.027 0.000 0.960 404 R CB -0.940 29.383 30.300 0.039 0.000 0.856 404 R HN 0.352 nan 8.270 nan 0.000 0.436 405 A N -0.017 122.831 122.820 0.046 0.000 1.930 405 A HA 0.042 4.362 4.320 -0.001 0.000 0.217 405 A C 2.334 179.936 177.584 0.030 0.000 1.175 405 A CA 1.532 53.593 52.037 0.041 0.000 0.627 405 A CB -0.941 18.086 19.000 0.045 0.000 0.815 405 A HN 0.469 nan 8.150 nan 0.000 0.443 406 A N -0.590 122.246 122.820 0.027 0.000 1.972 406 A HA 0.013 4.333 4.320 -0.001 0.000 0.219 406 A C 2.129 179.724 177.584 0.017 0.000 1.169 406 A CA 1.703 53.753 52.037 0.020 0.000 0.635 406 A CB -0.733 18.278 19.000 0.018 0.000 0.810 406 A HN 0.374 nan 8.150 nan 0.000 0.446 407 V N -0.145 119.779 119.914 0.017 0.000 2.667 407 V HA -0.193 3.926 4.120 -0.001 0.000 0.252 407 V C 2.276 178.380 176.094 0.016 0.000 1.065 407 V CA 2.044 64.353 62.300 0.014 0.000 1.083 407 V CB -0.597 31.233 31.823 0.012 0.000 0.692 407 V HN 0.633 nan 8.190 nan 0.000 0.468 408 E N -0.168 120.043 120.200 0.019 0.000 2.122 408 E HA -0.079 4.271 4.350 -0.001 0.000 0.190 408 E C 1.394 178.005 176.600 0.018 0.000 0.977 408 E CA 0.984 57.396 56.400 0.020 0.000 0.820 408 E CB 0.142 29.857 29.700 0.024 0.000 0.770 408 E HN 0.642 nan 8.360 nan 0.000 0.462 409 E N -0.654 119.557 120.200 0.018 0.000 2.789 409 E HA 0.224 4.574 4.350 -0.001 0.000 0.217 409 E C 0.164 176.773 176.600 0.016 0.000 0.970 409 E CA 0.075 56.485 56.400 0.016 0.000 1.201 409 E CB 1.680 31.390 29.700 0.017 0.000 1.069 409 E HN 0.223 nan 8.360 nan 0.000 0.499 410 G N 1.276 110.086 108.800 0.016 0.000 2.681 410 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.220 410 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.220 410 G C -0.252 174.658 174.900 0.016 0.000 1.353 410 G CA -0.408 44.701 45.100 0.015 0.000 0.872 410 G HN 0.552 nan 8.290 nan 0.000 0.557 411 V N -2.724 117.199 119.914 0.015 0.000 3.102 411 V HA 0.990 5.109 4.120 -0.001 0.000 0.312 411 V C 0.487 176.591 176.094 0.016 0.000 1.135 411 V CA 0.137 62.446 62.300 0.015 0.000 1.022 411 V CB 1.441 33.272 31.823 0.013 0.000 1.056 411 V HN 2.457 nan 8.190 nan 0.000 0.436 412 V N -1.054 118.870 119.914 0.016 0.000 3.181 412 V HA 0.986 5.105 4.120 -0.001 0.000 0.308 412 V C 0.409 176.512 176.094 0.015 0.000 1.214 412 V CA -0.754 61.556 62.300 0.017 0.000 1.053 412 V CB 1.263 33.097 31.823 0.018 0.000 1.069 412 V HN 2.071 nan 8.190 nan 0.000 0.441 413 A N 1.199 124.029 122.820 0.018 0.000 2.515 413 A HA 0.614 4.933 4.320 -0.001 0.000 0.263 413 A C 0.946 178.535 177.584 0.008 0.000 1.096 413 A CA 0.686 52.731 52.037 0.013 0.000 0.769 413 A CB -0.763 18.248 19.000 0.019 0.000 1.040 413 A HN 1.887 nan 8.150 nan 0.000 0.505 414 G N 1.468 110.268 108.800 0.000 0.000 2.514 414 G HA2 0.481 4.440 3.960 -0.001 0.000 0.245 414 G HA3 0.481 4.440 3.960 -0.001 0.000 0.245 414 G C 1.237 176.134 174.900 -0.005 0.000 1.488 414 G CA -0.005 45.094 45.100 -0.001 0.000 1.063 414 G HN 2.201 nan 8.290 nan 0.000 0.557 415 G N -2.114 106.682 108.800 -0.006 0.000 2.187 415 G HA2 0.193 4.153 3.960 -0.001 0.000 0.261 415 G HA3 0.193 4.153 3.960 -0.001 0.000 0.261 415 G C 1.559 176.465 174.900 0.012 0.000 1.000 415 G CA 1.269 46.367 45.100 -0.003 0.000 0.718 415 G HN 2.479 nan 8.290 nan 0.000 0.519 416 G N -2.382 106.424 108.800 0.011 0.000 2.184 416 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.264 416 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.264 416 G C 1.861 176.771 174.900 0.017 0.000 0.975 416 G CA 1.921 47.030 45.100 0.014 0.000 0.642 416 G HN 2.227 nan 8.290 nan 0.000 0.536 417 V N -1.831 118.093 119.914 0.016 0.000 2.719 417 V HA 0.449 4.569 4.120 -0.001 0.000 0.252 417 V C 2.732 178.842 176.094 0.027 0.000 1.065 417 V CA 1.883 64.196 62.300 0.022 0.000 1.086 417 V CB -0.511 31.320 31.823 0.013 0.000 0.700 417 V HN 1.382 nan 8.190 nan 0.000 0.467 418 A N 0.816 123.650 122.820 0.023 0.000 1.883 418 A HA -0.087 4.233 4.320 -0.001 0.000 0.217 418 A C 2.248 179.847 177.584 0.025 0.000 1.186 418 A CA 2.281 54.333 52.037 0.025 0.000 0.624 418 A CB -0.754 18.259 19.000 0.021 0.000 0.822 418 A HN 0.584 nan 8.150 nan 0.000 0.444 419 L N -0.955 120.281 121.223 0.021 0.000 2.017 419 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 419 L C 2.553 179.436 176.870 0.022 0.000 1.073 419 L CA 1.620 56.471 54.840 0.020 0.000 0.745 419 L CB -0.322 41.748 42.059 0.017 0.000 0.894 419 L HN 0.537 nan 8.230 nan 0.000 0.432 420 I N -0.484 120.100 120.570 0.024 0.000 2.394 420 I HA -0.298 3.872 4.170 -0.001 0.000 0.251 420 I C 2.747 178.885 176.117 0.035 0.000 1.136 420 I CA 0.923 62.239 61.300 0.027 0.000 1.425 420 I CB 0.014 38.031 38.000 0.028 0.000 1.079 420 I HN 0.193 nan 8.210 nan 0.000 0.425 421 R N 0.455 120.979 120.500 0.040 0.000 2.066 421 R HA -0.119 4.220 4.340 -0.001 0.000 0.232 421 R C 2.041 178.363 176.300 0.037 0.000 1.131 421 R CA 2.124 58.253 56.100 0.048 0.000 0.955 421 R CB -1.107 29.226 30.300 0.055 0.000 0.851 421 R HN 0.251 nan 8.270 nan 0.000 0.432 422 V N 0.877 120.809 119.914 0.030 0.000 2.332 422 V HA -0.223 3.897 4.120 -0.001 0.000 0.248 422 V C 2.272 178.378 176.094 0.020 0.000 1.055 422 V CA 2.041 64.355 62.300 0.023 0.000 1.038 422 V CB -0.741 31.093 31.823 0.019 0.000 0.651 422 V HN 0.590 nan 8.190 nan 0.000 0.450 423 A N 0.152 122.984 122.820 0.020 0.000 1.930 423 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 423 A C 2.509 180.103 177.584 0.018 0.000 1.175 423 A CA 1.942 53.989 52.037 0.017 0.000 0.627 423 A CB -0.757 18.253 19.000 0.016 0.000 0.815 423 A HN 0.712 nan 8.150 nan 0.000 0.443 424 S N 0.065 115.779 115.700 0.024 0.000 2.440 424 S HA -0.164 4.306 4.470 -0.001 0.000 0.238 424 S C 1.580 176.192 174.600 0.021 0.000 1.010 424 S CA 1.546 59.761 58.200 0.024 0.000 0.972 424 S CB -0.365 62.855 63.200 0.034 0.000 0.774 424 S HN 0.633 nan 8.310 nan 0.000 0.501 425 K N 0.526 120.938 120.400 0.020 0.000 2.400 425 K HA 0.285 4.605 4.320 -0.001 0.000 0.194 425 K C 0.890 177.498 176.600 0.012 0.000 1.033 425 K CA 0.317 56.614 56.287 0.016 0.000 1.021 425 K CB -0.087 32.423 32.500 0.017 0.000 0.808 425 K HN 0.424 nan 8.250 nan 0.000 0.505 426 L N 0.705 121.935 121.223 0.011 0.000 2.728 426 L HA 0.219 4.558 4.340 -0.001 0.000 0.235 426 L C 1.748 178.623 176.870 0.007 0.000 1.197 426 L CA -0.312 54.533 54.840 0.008 0.000 0.992 426 L CB -0.044 42.019 42.059 0.007 0.000 1.263 426 L HN 0.048 nan 8.230 nan 0.000 0.484 427 A N -0.036 122.789 122.820 0.008 0.000 2.076 427 A HA -0.187 4.133 4.320 -0.001 0.000 0.220 427 A C 1.581 179.168 177.584 0.005 0.000 1.160 427 A CA 1.642 53.684 52.037 0.007 0.000 0.653 427 A CB -0.176 18.828 19.000 0.008 0.000 0.801 427 A HN 0.396 nan 8.150 nan 0.000 0.455 428 D N -1.323 119.080 120.400 0.005 0.000 2.369 428 D HA 0.161 4.800 4.640 -0.001 0.000 0.211 428 D C 0.190 176.492 176.300 0.003 0.000 1.077 428 D CA -0.313 53.689 54.000 0.004 0.000 0.842 428 D CB -0.021 40.781 40.800 0.003 0.000 0.947 428 D HN 0.341 nan 8.370 nan 0.000 0.509 429 L N 2.130 123.355 121.223 0.003 0.000 2.540 429 L HA 0.037 4.377 4.340 -0.001 0.000 0.276 429 L C 0.146 177.017 176.870 0.002 0.000 1.212 429 L CA 0.677 55.519 54.840 0.003 0.000 0.893 429 L CB 0.118 42.179 42.059 0.003 0.000 1.138 429 L HN -0.212 nan 8.230 nan 0.000 0.491 430 R N 3.229 123.730 120.500 0.001 0.000 2.867 430 R HA 0.687 5.027 4.340 -0.001 0.000 0.268 430 R C -0.126 176.174 176.300 0.001 0.000 1.014 430 R CA -0.301 55.799 56.100 0.001 0.000 0.946 430 R CB 1.465 31.765 30.300 0.001 0.000 1.208 430 R HN 0.798 nan 8.270 nan 0.000 0.477 431 G N -0.310 108.491 108.800 0.001 0.000 3.008 431 G HA2 0.206 4.166 3.960 -0.001 0.000 0.181 431 G HA3 0.206 4.166 3.960 -0.001 0.000 0.181 431 G C 0.052 174.952 174.900 0.000 0.000 1.309 431 G CA -0.190 44.910 45.100 0.000 0.000 1.009 431 G HN 0.418 nan 8.290 nan 0.000 0.584 432 Q N -0.566 119.234 119.800 0.000 0.000 2.402 432 Q HA 0.150 4.490 4.340 -0.001 0.000 0.206 432 Q C -0.034 175.967 176.000 0.000 0.000 0.919 432 Q CA 0.599 56.402 55.803 0.000 0.000 0.923 432 Q CB 0.243 28.981 28.738 0.000 0.000 1.048 432 Q HN 0.623 nan 8.270 nan 0.000 0.515 433 N N -2.024 116.676 118.700 0.000 0.000 2.853 433 N HA 0.083 4.822 4.740 -0.001 0.000 0.258 433 N C -0.077 175.433 175.510 0.001 0.000 1.444 433 N CA -0.612 52.438 53.050 0.001 0.000 0.837 433 N CB 0.492 38.979 38.487 0.001 0.000 1.489 433 N HN -0.361 nan 8.380 nan 0.000 0.529 434 E N -0.173 120.028 120.200 0.001 0.000 2.110 434 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 434 E C 0.317 176.918 176.600 0.001 0.000 0.988 434 E CA 1.173 57.574 56.400 0.001 0.000 0.804 434 E CB -0.283 29.417 29.700 0.001 0.000 0.745 434 E HN 0.571 nan 8.360 nan 0.000 0.458 435 D N 0.519 120.920 120.400 0.001 0.000 2.097 435 D HA -0.157 4.482 4.640 -0.001 0.000 0.195 435 D C 1.980 178.282 176.300 0.002 0.000 0.989 435 D CA 0.910 54.911 54.000 0.002 0.000 0.827 435 D CB -0.192 40.609 40.800 0.002 0.000 0.966 435 D HN 0.276 nan 8.370 nan 0.000 0.456 436 Q N 0.096 119.897 119.800 0.002 0.000 2.170 436 Q HA -0.115 4.224 4.340 -0.001 0.000 0.203 436 Q C 1.837 177.838 176.000 0.001 0.000 0.976 436 Q CA 0.754 56.557 55.803 0.001 0.000 0.858 436 Q CB 0.056 28.794 28.738 0.001 0.000 0.907 436 Q HN 0.248 nan 8.270 nan 0.000 0.433 437 N N -0.213 118.487 118.700 0.001 0.000 2.142 437 N HA -0.120 4.620 4.740 -0.001 0.000 0.186 437 N C 1.834 177.346 175.510 0.002 0.000 1.023 437 N CA 0.991 54.041 53.050 0.002 0.000 0.852 437 N CB -0.245 38.243 38.487 0.001 0.000 0.998 437 N HN 0.058 nan 8.380 nan 0.000 0.424 438 V N 1.062 120.978 119.914 0.002 0.000 2.343 438 V HA -0.164 3.955 4.120 -0.001 0.000 0.247 438 V C 2.474 178.569 176.094 0.003 0.000 1.051 438 V CA 2.024 64.325 62.300 0.002 0.000 1.036 438 V CB -1.263 30.562 31.823 0.002 0.000 0.654 438 V HN 0.333 nan 8.190 nan 0.000 0.451 439 G N 0.023 108.825 108.800 0.003 0.000 2.446 439 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.217 439 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.217 439 G C 1.568 176.470 174.900 0.003 0.000 1.168 439 G CA 1.182 46.284 45.100 0.003 0.000 0.771 439 G HN 0.489 nan 8.290 nan 0.000 0.551 440 I N 0.349 120.920 120.570 0.002 0.000 2.208 440 I HA -0.161 4.008 4.170 -0.001 0.000 0.245 440 I C 2.691 178.810 176.117 0.003 0.000 1.097 440 I CA 1.094 62.395 61.300 0.002 0.000 1.363 440 I CB -0.139 37.862 38.000 0.002 0.000 1.051 440 I HN 0.036 nan 8.210 nan 0.000 0.413 441 K N 0.497 120.900 120.400 0.003 0.000 2.148 441 K HA -0.051 4.269 4.320 -0.001 0.000 0.204 441 K C 2.133 178.736 176.600 0.004 0.000 1.050 441 K CA 0.909 57.198 56.287 0.004 0.000 0.942 441 K CB -0.555 31.947 32.500 0.004 0.000 0.724 441 K HN 0.220 nan 8.250 nan 0.000 0.446 442 V N 1.647 121.563 119.914 0.004 0.000 2.295 442 V HA -0.247 3.872 4.120 -0.001 0.000 0.246 442 V C 2.470 178.568 176.094 0.006 0.000 1.049 442 V CA 2.025 64.328 62.300 0.005 0.000 1.024 442 V CB -0.736 31.090 31.823 0.005 0.000 0.648 442 V HN 0.283 nan 8.190 nan 0.000 0.447 443 A N -0.267 122.556 122.820 0.005 0.000 1.873 443 A HA -0.129 4.190 4.320 -0.001 0.000 0.215 443 A C 2.194 179.782 177.584 0.006 0.000 1.186 443 A CA 1.698 53.738 52.037 0.005 0.000 0.616 443 A CB -0.563 18.439 19.000 0.004 0.000 0.823 443 A HN 0.486 nan 8.150 nan 0.000 0.442 444 L N -1.159 120.068 121.223 0.006 0.000 2.079 444 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 444 L C 2.824 179.699 176.870 0.008 0.000 1.081 444 L CA 1.755 56.599 54.840 0.008 0.000 0.752 444 L CB -0.514 41.550 42.059 0.008 0.000 0.896 444 L HN 0.446 nan 8.230 nan 0.000 0.433 445 R N 0.234 120.738 120.500 0.007 0.000 2.075 445 R HA -0.144 4.195 4.340 -0.001 0.000 0.232 445 R C 2.380 178.684 176.300 0.007 0.000 1.126 445 R CA 1.330 57.434 56.100 0.007 0.000 0.963 445 R CB -0.197 30.107 30.300 0.005 0.000 0.858 445 R HN 0.338 nan 8.270 nan 0.000 0.435 446 A N 0.729 123.554 122.820 0.007 0.000 1.972 446 A HA -0.157 4.162 4.320 -0.001 0.000 0.219 446 A C 2.054 179.643 177.584 0.009 0.000 1.169 446 A CA 1.369 53.410 52.037 0.008 0.000 0.635 446 A CB -0.413 18.592 19.000 0.009 0.000 0.810 446 A HN 0.342 nan 8.150 nan 0.000 0.446 447 M N -0.486 119.120 119.600 0.010 0.000 2.706 447 M HA -0.130 4.349 4.480 -0.001 0.000 0.251 447 M C 1.236 177.543 176.300 0.012 0.000 1.070 447 M CA 1.017 56.324 55.300 0.012 0.000 1.073 447 M CB -0.238 32.370 32.600 0.012 0.000 1.449 447 M HN 0.479 nan 8.290 nan 0.000 0.531 448 E N -0.309 119.897 120.200 0.010 0.000 2.452 448 E HA 0.086 4.436 4.350 -0.001 0.000 0.197 448 E C 2.031 178.634 176.600 0.005 0.000 1.022 448 E CA 0.286 56.691 56.400 0.008 0.000 0.890 448 E CB 0.179 29.883 29.700 0.006 0.000 0.918 448 E HN 0.480 nan 8.360 nan 0.000 0.496 449 A N 2.470 125.293 122.820 0.006 0.000 1.873 449 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 449 A C -0.346 177.240 177.584 0.004 0.000 1.193 449 A CA 1.436 53.475 52.037 0.004 0.000 0.629 449 A CB -1.478 17.526 19.000 0.006 0.000 0.826 449 A HN 0.119 nan 8.150 nan 0.000 0.447 450 P HA -0.178 nan 4.420 nan 0.000 0.213 450 P C 1.855 179.160 177.300 0.008 0.000 1.170 450 P CA 0.954 64.059 63.100 0.008 0.000 0.902 450 P CB -0.144 31.562 31.700 0.011 0.000 0.789 451 L N -0.679 120.549 121.223 0.008 0.000 1.970 451 L HA -0.235 4.104 4.340 -0.001 0.000 0.212 451 L C 2.495 179.361 176.870 -0.007 0.000 1.071 451 L CA 1.959 56.803 54.840 0.007 0.000 0.751 451 L CB -0.461 41.602 42.059 0.005 0.000 0.889 451 L HN -0.107 nan 8.230 nan 0.000 0.432 452 R N -0.687 119.805 120.500 -0.013 0.000 2.119 452 R HA -0.284 4.055 4.340 -0.001 0.000 0.246 452 R C 2.244 178.535 176.300 -0.016 0.000 1.146 452 R CA 2.053 58.140 56.100 -0.022 0.000 0.962 452 R CB -0.362 29.929 30.300 -0.016 0.000 0.863 452 R HN 0.397 nan 8.270 nan 0.000 0.442 453 Q N 0.947 120.744 119.800 -0.006 0.000 2.079 453 Q HA -0.077 4.262 4.340 -0.001 0.000 0.200 453 Q C 1.864 177.866 176.000 0.003 0.000 0.974 453 Q CA 1.536 57.338 55.803 -0.002 0.000 0.840 453 Q CB -0.148 28.591 28.738 0.001 0.000 0.898 453 Q HN 0.360 nan 8.270 nan 0.000 0.430 454 I N -0.606 119.969 120.570 0.008 0.000 2.163 454 I HA -0.286 3.883 4.170 -0.001 0.000 0.243 454 I C 2.035 178.171 176.117 0.031 0.000 1.085 454 I CA 1.063 62.376 61.300 0.021 0.000 1.347 454 I CB -0.327 37.692 38.000 0.033 0.000 1.044 454 I HN 0.079 nan 8.210 nan 0.000 0.408 455 V N 0.604 120.525 119.914 0.011 0.000 2.343 455 V HA -0.270 3.849 4.120 -0.001 0.000 0.247 455 V C 2.374 178.462 176.094 -0.010 0.000 1.051 455 V CA 1.605 63.896 62.300 -0.015 0.000 1.036 455 V CB -0.510 31.240 31.823 -0.122 0.000 0.654 455 V HN 0.360 nan 8.190 nan 0.000 0.451 456 L N 0.724 121.939 121.223 -0.013 0.000 2.083 456 L HA -0.131 4.208 4.340 -0.001 0.000 0.209 456 L C 2.162 179.033 176.870 0.002 0.000 1.083 456 L CA 1.874 56.709 54.840 -0.008 0.000 0.752 456 L CB -0.807 41.247 42.059 -0.008 0.000 0.899 456 L HN 0.307 nan 8.230 nan 0.000 0.433 457 N N -1.154 117.550 118.700 0.007 0.000 2.309 457 N HA -0.151 4.588 4.740 -0.001 0.000 0.182 457 N C 1.721 177.241 175.510 0.015 0.000 1.018 457 N CA 1.538 54.594 53.050 0.009 0.000 0.876 457 N CB -0.631 37.861 38.487 0.009 0.000 0.972 457 N HN 0.424 nan 8.380 nan 0.000 0.434 458 C N -0.531 118.784 119.300 0.027 0.000 2.500 458 C HA 0.223 4.683 4.460 -0.001 0.000 0.273 458 C C 1.645 176.653 174.990 0.030 0.000 1.428 458 C CA 0.433 59.474 59.018 0.038 0.000 1.766 458 C CB -1.133 26.655 27.740 0.081 0.000 1.817 458 C HN 0.628 nan 8.230 nan 0.000 0.543 459 G N 0.864 109.674 108.800 0.018 0.000 2.132 459 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.228 459 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.228 459 G C -0.212 174.695 174.900 0.012 0.000 1.000 459 G CA 0.126 45.233 45.100 0.013 0.000 0.693 459 G HN 0.502 nan 8.290 nan 0.000 0.515 460 E N -0.017 120.186 120.200 0.005 0.000 2.285 460 E HA 0.460 4.810 4.350 -0.001 0.000 0.254 460 E C 0.048 176.628 176.600 -0.035 0.000 1.011 460 E CA -0.728 55.664 56.400 -0.013 0.000 0.873 460 E CB 0.703 30.384 29.700 -0.031 0.000 1.229 460 E HN 0.462 nan 8.360 nan 0.000 0.422 461 E N 1.498 121.669 120.200 -0.048 0.000 2.046 461 E HA 0.157 4.507 4.350 -0.001 0.000 0.279 461 E C -1.807 174.751 176.600 -0.070 0.000 0.989 461 E CA -1.678 54.695 56.400 -0.044 0.000 0.798 461 E CB 1.115 30.799 29.700 -0.026 0.000 1.086 461 E HN 0.114 nan 8.360 nan 0.000 0.399 462 P HA -0.240 nan 4.420 nan 0.000 0.215 462 P C 1.187 178.454 177.300 -0.055 0.000 1.163 462 P CA 1.282 64.341 63.100 -0.068 0.000 0.894 462 P CB 0.288 31.963 31.700 -0.041 0.000 0.791 463 S N -0.788 114.891 115.700 -0.034 0.000 2.374 463 S HA -0.148 4.321 4.470 -0.001 0.000 0.227 463 S C 1.966 176.553 174.600 -0.021 0.000 1.037 463 S CA 1.649 59.836 58.200 -0.021 0.000 1.024 463 S CB -1.318 61.873 63.200 -0.014 0.000 0.861 463 S HN -0.030 nan 8.310 nan 0.000 0.456 464 V N 1.159 121.056 119.914 -0.027 0.000 2.283 464 V HA -0.102 4.017 4.120 -0.001 0.000 0.243 464 V C 2.323 178.410 176.094 -0.011 0.000 1.039 464 V CA 1.368 63.658 62.300 -0.016 0.000 1.016 464 V CB -0.859 30.957 31.823 -0.011 0.000 0.650 464 V HN 0.346 nan 8.190 nan 0.000 0.449 465 V N 0.570 120.443 119.914 -0.069 0.000 2.343 465 V HA -0.242 3.878 4.120 -0.001 0.000 0.247 465 V C 2.752 178.836 176.094 -0.017 0.000 1.051 465 V CA 1.998 64.238 62.300 -0.100 0.000 1.036 465 V CB -1.199 30.344 31.823 -0.466 0.000 0.654 465 V HN 0.545 nan 8.190 nan 0.000 0.451 466 A N 0.387 123.186 122.820 -0.035 0.000 1.902 466 A HA -0.280 4.040 4.320 -0.001 0.000 0.217 466 A C 2.078 179.680 177.584 0.030 0.000 1.181 466 A CA 2.292 54.328 52.037 -0.000 0.000 0.623 466 A CB -0.827 18.167 19.000 -0.010 0.000 0.818 466 A HN 0.596 nan 8.150 nan 0.000 0.443 467 N N -0.600 118.113 118.700 0.021 0.000 2.120 467 N HA -0.115 4.625 4.740 -0.001 0.000 0.188 467 N C 1.682 177.217 175.510 0.042 0.000 1.024 467 N CA 2.266 55.330 53.050 0.024 0.000 0.852 467 N CB -0.351 38.141 38.487 0.009 0.000 1.003 467 N HN 0.403 nan 8.380 nan 0.000 0.424 468 T N -0.613 113.974 114.554 0.055 0.000 2.812 468 T HA -0.033 4.317 4.350 -0.001 0.000 0.264 468 T C 1.955 176.766 174.700 0.185 0.000 1.042 468 T CA 1.075 63.211 62.100 0.059 0.000 1.140 468 T CB -0.359 68.475 68.868 -0.057 0.000 0.870 468 T HN 0.001 nan 8.240 nan 0.000 0.445 469 V N 1.620 121.659 119.914 0.209 0.000 2.343 469 V HA -0.163 3.957 4.120 -0.001 0.000 0.247 469 V C 2.447 178.659 176.094 0.196 0.000 1.051 469 V CA 1.530 63.956 62.300 0.210 0.000 1.036 469 V CB -0.477 31.418 31.823 0.120 0.000 0.654 469 V HN 0.461 nan 8.190 nan 0.000 0.451 470 K N 0.158 120.632 120.400 0.123 0.000 2.148 470 K HA -0.079 4.241 4.320 -0.001 0.000 0.204 470 K C 2.237 178.890 176.600 0.090 0.000 1.050 470 K CA 1.248 57.590 56.287 0.091 0.000 0.942 470 K CB -0.541 31.993 32.500 0.055 0.000 0.724 470 K HN 0.566 nan 8.250 nan 0.000 0.446 471 G N 1.219 110.073 108.800 0.091 0.000 2.432 471 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.219 471 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.219 471 G C 0.856 175.777 174.900 0.034 0.000 1.135 471 G CA 0.893 46.023 45.100 0.050 0.000 0.767 471 G HN 0.389 nan 8.290 nan 0.000 0.550 472 G N -0.210 108.654 108.800 0.107 0.000 2.531 472 G HA2 0.491 4.450 3.960 -0.001 0.000 0.253 472 G HA3 0.491 4.450 3.960 -0.001 0.000 0.253 472 G C -0.537 174.415 174.900 0.086 0.000 1.439 472 G CA 0.345 45.448 45.100 0.006 0.000 1.056 472 G HN 0.423 nan 8.290 nan 0.000 0.555 473 D N -3.602 116.849 120.400 0.086 0.000 2.759 473 D HA 0.522 5.162 4.640 -0.001 0.000 0.321 473 D C 0.669 177.040 176.300 0.118 0.000 1.267 473 D CA 0.448 54.503 54.000 0.090 0.000 0.933 473 D CB 0.566 41.387 40.800 0.034 0.000 1.431 473 D HN 1.687 nan 8.370 nan 0.000 0.504 474 G N 0.492 109.343 108.800 0.085 0.000 2.550 474 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.277 474 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.277 474 G C -0.039 174.923 174.900 0.103 0.000 1.190 474 G CA 0.458 45.607 45.100 0.081 0.000 0.971 474 G HN 0.740 nan 8.290 nan 0.000 0.559 475 N N 0.022 118.787 118.700 0.108 0.000 2.451 475 N HA 0.375 5.114 4.740 -0.001 0.000 0.264 475 N C -0.300 175.290 175.510 0.134 0.000 1.167 475 N CA -0.098 53.010 53.050 0.096 0.000 0.898 475 N CB 0.392 38.916 38.487 0.063 0.000 1.176 475 N HN 0.545 nan 8.380 nan 0.000 0.507 476 Y N 0.941 121.275 120.300 0.057 0.000 2.436 476 Y HA 0.555 5.105 4.550 -0.001 0.000 0.336 476 Y C 0.683 176.653 175.900 0.116 0.000 1.049 476 Y CA -0.240 57.910 58.100 0.083 0.000 1.294 476 Y CB 0.078 38.584 38.460 0.077 0.000 1.179 476 Y HN 0.112 nan 8.280 nan 0.000 0.520 477 G N 4.140 112.691 108.800 -0.415 0.000 2.815 477 G HA2 0.251 4.210 3.960 -0.001 0.000 0.305 477 G HA3 0.251 4.210 3.960 -0.001 0.000 0.305 477 G C -2.405 172.332 174.900 -0.271 0.000 1.277 477 G CA -0.902 44.027 45.100 -0.285 0.000 0.795 477 G HN 0.527 nan 8.290 nan 0.000 0.528 478 Y N 1.609 121.710 120.300 -0.332 0.000 2.334 478 Y HA 0.526 5.076 4.550 -0.001 0.000 0.336 478 Y C -0.036 175.672 175.900 -0.320 0.000 0.960 478 Y CA -1.287 56.507 58.100 -0.510 0.000 1.164 478 Y CB 1.346 39.484 38.460 -0.536 0.000 1.155 478 Y HN 0.413 nan 8.280 nan 0.000 0.478 479 N N 4.987 123.269 118.700 -0.697 0.000 2.402 479 N HA 0.103 4.842 4.740 -0.001 0.000 0.259 479 N C 0.637 175.690 175.510 -0.762 0.000 1.167 479 N CA 0.689 53.425 53.050 -0.522 0.000 0.949 479 N CB 1.326 39.591 38.487 -0.370 0.000 1.212 479 N HN 0.943 nan 8.380 nan 0.000 0.493 480 A N 3.979 126.520 122.820 -0.464 0.000 2.019 480 A HA -0.077 4.242 4.320 -0.001 0.000 0.219 480 A C 2.066 179.515 177.584 -0.225 0.000 1.164 480 A CA 1.690 53.551 52.037 -0.292 0.000 0.644 480 A CB -0.439 18.545 19.000 -0.027 0.000 0.805 480 A HN 0.723 nan 8.150 nan 0.000 0.449 481 A N -0.204 122.496 122.820 -0.200 0.000 1.832 481 A HA -0.090 4.230 4.320 -0.001 0.000 0.214 481 A C 2.430 179.925 177.584 -0.149 0.000 1.200 481 A CA 2.474 54.430 52.037 -0.135 0.000 0.610 481 A CB -1.354 17.583 19.000 -0.106 0.000 0.842 481 A HN 0.811 nan 8.150 nan 0.000 0.444 482 T N -2.860 111.580 114.554 -0.191 0.000 3.088 482 T HA 0.128 4.478 4.350 -0.001 0.000 0.259 482 T C 0.306 174.878 174.700 -0.212 0.000 1.122 482 T CA 0.868 62.870 62.100 -0.164 0.000 1.095 482 T CB -0.475 68.308 68.868 -0.141 0.000 0.930 482 T HN 0.587 nan 8.240 nan 0.000 0.508 483 E N 1.263 121.235 120.200 -0.379 0.000 2.252 483 E HA -0.131 4.218 4.350 -0.001 0.000 0.218 483 E C -0.830 175.552 176.600 -0.363 0.000 1.253 483 E CA 0.410 56.530 56.400 -0.467 0.000 0.705 483 E CB -0.904 28.736 29.700 -0.101 0.000 1.172 483 E HN 0.662 nan 8.360 nan 0.000 0.369 484 E N -0.372 119.527 120.200 -0.501 0.000 2.356 484 E HA 0.344 4.694 4.350 -0.001 0.000 0.275 484 E C -0.657 175.756 176.600 -0.311 0.000 0.904 484 E CA -0.713 55.556 56.400 -0.218 0.000 0.757 484 E CB 1.021 30.668 29.700 -0.088 0.000 1.232 484 E HN 0.037 nan 8.360 nan 0.000 0.442 485 Y N 0.132 120.420 120.300 -0.021 0.000 2.340 485 Y HA 0.650 5.200 4.550 -0.000 0.000 0.327 485 Y C 1.311 177.203 175.900 -0.013 0.000 1.321 485 Y CA 0.620 58.686 58.100 -0.055 0.000 1.433 485 Y CB 1.346 39.826 38.460 0.034 0.000 1.373 485 Y HN 0.717 nan 8.280 nan 0.000 0.538 486 G N 0.182 109.054 108.800 0.121 0.000 2.352 486 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.283 486 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.283 486 G C -1.805 173.181 174.900 0.142 0.000 1.308 486 G CA -1.183 44.035 45.100 0.196 0.000 0.892 486 G HN 0.576 nan 8.290 nan 0.000 0.504 487 N N 1.060 119.839 118.700 0.131 0.000 2.411 487 N HA 0.165 4.904 4.740 -0.001 0.000 0.259 487 N C 1.751 177.281 175.510 0.033 0.000 1.103 487 N CA -0.521 52.589 53.050 0.101 0.000 0.954 487 N CB 0.836 39.377 38.487 0.090 0.000 1.085 487 N HN 0.393 nan 8.380 nan 0.000 0.485 488 M N 3.533 123.142 119.600 0.014 0.000 2.108 488 M HA -0.160 4.319 4.480 -0.001 0.000 0.261 488 M C 1.655 177.952 176.300 -0.004 0.000 1.066 488 M CA 1.137 56.429 55.300 -0.014 0.000 1.107 488 M CB -0.586 32.004 32.600 -0.015 0.000 1.356 488 M HN 0.561 nan 8.290 nan 0.000 0.406 489 I N 0.273 120.850 120.570 0.012 0.000 2.202 489 I HA -0.249 3.920 4.170 -0.001 0.000 0.242 489 I C 1.958 178.080 176.117 0.009 0.000 1.091 489 I CA 1.349 62.656 61.300 0.011 0.000 1.368 489 I CB -1.550 36.461 38.000 0.018 0.000 1.058 489 I HN 0.250 nan 8.210 nan 0.000 0.410 490 D N 0.839 121.248 120.400 0.015 0.000 2.123 490 D HA -0.167 4.473 4.640 -0.001 0.000 0.196 490 D C 2.199 178.500 176.300 0.003 0.000 0.992 490 D CA 1.228 55.236 54.000 0.013 0.000 0.833 490 D CB -0.142 40.671 40.800 0.022 0.000 0.954 490 D HN 0.340 nan 8.370 nan 0.000 0.455 491 M N -0.404 119.193 119.600 -0.005 0.000 2.686 491 M HA 0.072 4.551 4.480 -0.001 0.000 0.246 491 M C 0.985 177.270 176.300 -0.024 0.000 1.096 491 M CA 0.585 55.873 55.300 -0.020 0.000 1.076 491 M CB 0.190 32.766 32.600 -0.039 0.000 1.504 491 M HN 0.037 nan 8.290 nan 0.000 0.524 492 G N 2.244 111.035 108.800 -0.015 0.000 2.221 492 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.265 492 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.265 492 G C -0.082 174.806 174.900 -0.020 0.000 1.041 492 G CA -0.145 44.946 45.100 -0.014 0.000 0.807 492 G HN 0.541 nan 8.290 nan 0.000 0.502 493 I N 0.593 121.149 120.570 -0.024 0.000 2.428 493 I HA 0.531 4.700 4.170 -0.001 0.000 0.279 493 I C 0.115 176.222 176.117 -0.017 0.000 1.040 493 I CA -0.888 60.395 61.300 -0.029 0.000 1.171 493 I CB 0.705 38.675 38.000 -0.049 0.000 1.312 493 I HN 0.222 nan 8.210 nan 0.000 0.470 494 L N 3.491 124.709 121.223 -0.009 0.000 2.479 494 L HA 0.780 5.120 4.340 -0.001 0.000 0.255 494 L C -1.399 175.473 176.870 0.003 0.000 1.026 494 L CA -0.713 54.127 54.840 -0.001 0.000 0.842 494 L CB 1.614 43.675 42.059 0.003 0.000 1.444 494 L HN 0.058 nan 8.230 nan 0.000 0.409 495 D N -0.358 120.047 120.400 0.008 0.000 2.671 495 D HA 0.495 5.134 4.640 -0.001 0.000 0.232 495 D C -2.796 173.513 176.300 0.015 0.000 1.114 495 D CA -1.275 52.732 54.000 0.012 0.000 0.858 495 D CB 2.490 43.297 40.800 0.012 0.000 1.544 495 D HN 0.368 nan 8.370 nan 0.000 0.471 496 P HA 0.060 nan 4.420 nan 0.000 0.267 496 P C 0.864 178.176 177.300 0.021 0.000 1.205 496 P CA 0.140 63.252 63.100 0.021 0.000 0.765 496 P CB 0.567 32.282 31.700 0.026 0.000 0.828 497 T N 2.630 117.196 114.554 0.019 0.000 2.721 497 T HA -0.248 4.101 4.350 -0.001 0.000 0.268 497 T C 1.609 176.321 174.700 0.021 0.000 1.038 497 T CA 1.453 63.564 62.100 0.018 0.000 1.145 497 T CB -0.293 68.585 68.868 0.016 0.000 0.858 497 T HN 0.503 nan 8.240 nan 0.000 0.459 498 K N 0.467 120.881 120.400 0.024 0.000 2.057 498 K HA -0.067 4.252 4.320 -0.001 0.000 0.207 498 K C 2.377 178.998 176.600 0.036 0.000 1.049 498 K CA 1.116 57.420 56.287 0.029 0.000 0.931 498 K CB -0.414 32.105 32.500 0.032 0.000 0.714 498 K HN 0.237 nan 8.250 nan 0.000 0.440 499 V N 0.778 120.712 119.914 0.034 0.000 2.358 499 V HA -0.208 3.912 4.120 -0.001 0.000 0.246 499 V C 1.745 177.862 176.094 0.039 0.000 1.047 499 V CA 2.517 64.839 62.300 0.036 0.000 1.035 499 V CB -0.402 31.437 31.823 0.026 0.000 0.658 499 V HN 0.456 nan 8.190 nan 0.000 0.452 500 T N 0.228 114.800 114.554 0.029 0.000 2.746 500 T HA -0.181 4.168 4.350 -0.001 0.000 0.267 500 T C 1.940 176.656 174.700 0.027 0.000 1.039 500 T CA 1.914 64.030 62.100 0.027 0.000 1.142 500 T CB -0.335 68.545 68.868 0.021 0.000 0.866 500 T HN 0.551 nan 8.240 nan 0.000 0.444 501 R N 0.879 121.393 120.500 0.023 0.000 2.073 501 R HA -0.085 4.255 4.340 -0.001 0.000 0.234 501 R C 2.554 178.860 176.300 0.011 0.000 1.134 501 R CA 1.777 57.883 56.100 0.010 0.000 0.952 501 R CB -0.348 29.955 30.300 0.004 0.000 0.850 501 R HN 0.218 nan 8.270 nan 0.000 0.433 502 S N 0.394 116.123 115.700 0.048 0.000 2.368 502 S HA -0.105 4.365 4.470 -0.001 0.000 0.225 502 S C 1.972 176.687 174.600 0.191 0.000 1.030 502 S CA 1.071 59.340 58.200 0.116 0.000 0.999 502 S CB -0.203 63.120 63.200 0.205 0.000 0.844 502 S HN 0.576 nan 8.310 nan 0.000 0.459 503 A N 1.448 124.346 122.820 0.130 0.000 1.883 503 A HA -0.083 4.236 4.320 -0.001 0.000 0.217 503 A C 2.136 179.776 177.584 0.093 0.000 1.186 503 A CA 1.516 53.623 52.037 0.116 0.000 0.624 503 A CB -0.776 18.262 19.000 0.064 0.000 0.822 503 A HN 0.419 nan 8.150 nan 0.000 0.444 504 L N -0.185 121.067 121.223 0.049 0.000 2.027 504 L HA -0.182 4.157 4.340 -0.001 0.000 0.206 504 L C 2.501 179.371 176.870 -0.000 0.000 1.074 504 L CA 2.379 57.232 54.840 0.023 0.000 0.745 504 L CB -0.830 41.234 42.059 0.008 0.000 0.898 504 L HN 0.516 nan 8.230 nan 0.000 0.433 505 Q N -1.877 117.894 119.800 -0.049 0.000 2.124 505 Q HA -0.223 4.117 4.340 -0.001 0.000 0.202 505 Q C 2.134 178.037 176.000 -0.163 0.000 0.977 505 Q CA 1.911 57.631 55.803 -0.138 0.000 0.850 505 Q CB -0.284 28.310 28.738 -0.241 0.000 0.901 505 Q HN 0.517 nan 8.270 nan 0.000 0.429 506 Y N 0.100 120.399 120.300 -0.002 0.000 2.263 506 Y HA -0.130 4.420 4.550 -0.001 0.000 0.292 506 Y C 2.313 178.211 175.900 -0.002 0.000 1.130 506 Y CA 0.896 58.994 58.100 -0.003 0.000 1.179 506 Y CB -0.489 37.968 38.460 -0.006 0.000 0.998 506 Y HN 0.125 nan 8.280 nan 0.000 0.532 507 A N -0.014 122.890 122.820 0.141 0.000 1.855 507 A HA -0.100 4.219 4.320 -0.001 0.000 0.215 507 A C 2.458 180.073 177.584 0.051 0.000 1.191 507 A CA 1.797 53.883 52.037 0.081 0.000 0.613 507 A CB -1.306 17.728 19.000 0.057 0.000 0.829 507 A HN 0.360 nan 8.150 nan 0.000 0.442 508 A N -0.764 122.074 122.820 0.028 0.000 1.978 508 A HA -0.123 4.197 4.320 -0.001 0.000 0.220 508 A C 2.433 180.024 177.584 0.011 0.000 1.170 508 A CA 2.265 54.309 52.037 0.011 0.000 0.636 508 A CB -0.846 18.149 19.000 -0.008 0.000 0.810 508 A HN 0.571 nan 8.150 nan 0.000 0.448 509 S N -0.998 114.712 115.700 0.016 0.000 2.338 509 S HA -0.125 4.344 4.470 -0.001 0.000 0.218 509 S C 1.970 176.594 174.600 0.040 0.000 1.032 509 S CA 1.593 59.806 58.200 0.022 0.000 0.999 509 S CB -0.598 62.622 63.200 0.033 0.000 0.905 509 S HN 0.565 nan 8.310 nan 0.000 0.439 510 V N 1.870 121.821 119.914 0.060 0.000 2.490 510 V HA -0.004 4.115 4.120 -0.001 0.000 0.250 510 V C 2.526 178.640 176.094 0.033 0.000 1.061 510 V CA 1.989 64.318 62.300 0.048 0.000 1.064 510 V CB -1.029 30.825 31.823 0.051 0.000 0.670 510 V HN 0.587 nan 8.190 nan 0.000 0.461 511 A N 0.093 122.931 122.820 0.031 0.000 1.877 511 A HA -0.018 4.301 4.320 -0.001 0.000 0.216 511 A C 2.386 179.981 177.584 0.019 0.000 1.186 511 A CA 1.814 53.865 52.037 0.023 0.000 0.620 511 A CB -1.432 17.580 19.000 0.020 0.000 0.822 511 A HN 0.639 nan 8.150 nan 0.000 0.443 512 G N -0.197 108.613 108.800 0.017 0.000 2.422 512 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.218 512 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.218 512 G C 1.557 176.466 174.900 0.015 0.000 1.146 512 G CA 1.042 46.150 45.100 0.013 0.000 0.769 512 G HN 0.427 nan 8.290 nan 0.000 0.547 513 L N -0.324 120.911 121.223 0.019 0.000 2.046 513 L HA -0.050 4.289 4.340 -0.001 0.000 0.208 513 L C 3.126 180.008 176.870 0.020 0.000 1.077 513 L CA 1.080 55.932 54.840 0.020 0.000 0.747 513 L CB -0.341 41.732 42.059 0.023 0.000 0.896 513 L HN 0.241 nan 8.230 nan 0.000 0.432 514 M N -0.544 119.068 119.600 0.021 0.000 2.132 514 M HA -0.209 4.271 4.480 -0.001 0.000 0.263 514 M C 2.290 178.602 176.300 0.019 0.000 1.065 514 M CA 1.785 57.097 55.300 0.021 0.000 1.122 514 M CB -0.334 32.279 32.600 0.021 0.000 1.365 514 M HN 0.199 nan 8.290 nan 0.000 0.411 515 I N 0.031 120.611 120.570 0.017 0.000 2.454 515 I HA -0.210 3.960 4.170 -0.001 0.000 0.254 515 I C 1.578 177.705 176.117 0.017 0.000 1.156 515 I CA 1.379 62.688 61.300 0.015 0.000 1.433 515 I CB -0.606 37.402 38.000 0.013 0.000 1.082 515 I HN 0.396 nan 8.210 nan 0.000 0.432 516 T N -3.023 111.542 114.554 0.018 0.000 3.258 516 T HA 0.192 4.542 4.350 -0.001 0.000 0.263 516 T C 0.374 175.089 174.700 0.024 0.000 0.983 516 T CA -0.355 61.757 62.100 0.020 0.000 0.907 516 T CB -0.312 68.567 68.868 0.017 0.000 1.096 516 T HN -0.080 nan 8.240 nan 0.000 0.556 517 T N 1.935 116.504 114.554 0.025 0.000 2.795 517 T HA 0.389 4.739 4.350 -0.001 0.000 0.282 517 T C 0.462 175.183 174.700 0.036 0.000 0.980 517 T CA -0.599 61.517 62.100 0.028 0.000 1.012 517 T CB 1.800 70.682 68.868 0.023 0.000 0.936 517 T HN 0.094 nan 8.240 nan 0.000 0.457 518 E N 0.450 120.681 120.200 0.051 0.000 2.514 518 E HA 0.187 4.536 4.350 -0.001 0.000 0.215 518 E C -0.056 176.610 176.600 0.111 0.000 0.946 518 E CA 0.087 56.542 56.400 0.091 0.000 1.038 518 E CB 0.836 30.605 29.700 0.115 0.000 1.069 518 E HN 0.570 nan 8.360 nan 0.000 0.503 519 C N 0.679 119.988 119.300 0.015 0.000 2.880 519 C HA 0.674 5.134 4.460 -0.001 0.000 0.320 519 C C -1.354 173.555 174.990 -0.134 0.000 1.176 519 C CA -0.581 58.338 59.018 -0.165 0.000 1.390 519 C CB 0.451 28.094 27.740 -0.162 0.000 1.846 519 C HN 0.114 nan 8.230 nan 0.000 0.478 520 M N 5.026 124.522 119.600 -0.173 0.000 2.395 520 M HA 0.620 5.099 4.480 -0.001 0.000 0.307 520 M C -1.126 175.225 176.300 0.085 0.000 1.091 520 M CA -0.593 54.724 55.300 0.027 0.000 0.919 520 M CB 2.165 34.891 32.600 0.211 0.000 1.662 520 M HN 0.392 nan 8.290 nan 0.000 0.440 521 V N 1.329 121.274 119.914 0.051 0.000 2.531 521 V HA 0.749 4.868 4.120 -0.001 0.000 0.301 521 V C -0.383 175.674 176.094 -0.062 0.000 1.034 521 V CA -0.410 61.899 62.300 0.014 0.000 0.865 521 V CB 1.973 33.782 31.823 -0.024 0.000 0.995 521 V HN 0.950 nan 8.190 nan 0.000 0.424 522 T N 2.266 116.741 114.554 -0.133 0.000 2.843 522 T HA 0.436 4.786 4.350 -0.001 0.000 0.302 522 T C -1.129 173.470 174.700 -0.169 0.000 1.232 522 T CA -0.546 61.411 62.100 -0.240 0.000 1.009 522 T CB 1.824 70.376 68.868 -0.528 0.000 1.254 522 T HN 0.688 nan 8.240 nan 0.000 0.504 523 D N 1.486 121.799 120.400 -0.146 0.000 2.382 523 D HA 0.344 4.983 4.640 -0.001 0.000 0.240 523 D C -0.142 176.103 176.300 -0.091 0.000 1.146 523 D CA -0.183 53.762 54.000 -0.092 0.000 0.897 523 D CB 0.367 41.123 40.800 -0.074 0.000 1.197 523 D HN 0.189 nan 8.370 nan 0.000 0.432 524 L N 3.772 124.968 121.223 -0.044 0.000 2.416 524 L HA 0.161 4.501 4.340 -0.001 0.000 0.272 524 L C -1.175 175.677 176.870 -0.031 0.000 1.161 524 L CA -1.356 53.471 54.840 -0.022 0.000 0.845 524 L CB 0.477 42.536 42.059 -0.000 0.000 1.119 524 L HN 0.417 nan 8.230 nan 0.000 0.464 525 P HA -0.141 nan 4.420 nan 0.000 0.229 525 P C -0.045 177.245 177.300 -0.016 0.000 1.150 525 P CA 1.058 64.143 63.100 -0.025 0.000 0.765 525 P CB 0.143 31.838 31.700 -0.010 0.000 0.783 526 K N 0.000 120.394 120.400 -0.010 0.000 2.780 526 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 526 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 526 K CB 0.000 32.500 32.500 -0.001 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543