REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1sx4_1_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 TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 3 A N 3.557 126.374 122.820 -0.004 0.000 2.488 3 A HA 0.562 4.882 4.320 -0.000 0.000 0.249 3 A C 0.472 178.053 177.584 -0.005 0.000 1.083 3 A CA 0.129 52.167 52.037 0.001 0.000 0.768 3 A CB 0.127 19.131 19.000 0.006 0.000 1.017 3 A HN 0.639 nan 8.150 nan 0.000 0.496 4 K N 1.451 121.850 120.400 -0.002 0.000 2.132 4 K HA 0.395 4.715 4.320 -0.000 0.000 0.241 4 K C -1.012 175.597 176.600 0.015 0.000 1.000 4 K CA -0.662 55.619 56.287 -0.011 0.000 0.911 4 K CB 0.908 33.396 32.500 -0.019 0.000 1.093 4 K HN 0.681 nan 8.250 nan 0.000 0.460 5 D N 0.860 121.269 120.400 0.015 0.000 2.344 5 D HA 0.289 4.929 4.640 -0.000 0.000 0.239 5 D C -1.325 175.077 176.300 0.171 0.000 1.064 5 D CA -0.598 53.462 54.000 0.100 0.000 0.829 5 D CB 1.165 42.033 40.800 0.114 0.000 1.129 5 D HN 0.074 nan 8.370 nan 0.000 0.506 6 V N 4.049 124.049 119.914 0.143 0.000 2.384 6 V HA 0.453 4.573 4.120 -0.000 0.000 0.287 6 V C 0.263 176.339 176.094 -0.030 0.000 1.020 6 V CA -0.789 61.530 62.300 0.032 0.000 0.850 6 V CB 1.529 33.324 31.823 -0.048 0.000 0.987 6 V HN 0.357 nan 8.190 nan 0.000 0.436 7 K N 3.213 123.515 120.400 -0.162 0.000 2.259 7 K HA 0.763 5.083 4.320 -0.000 0.000 0.249 7 K C -1.523 174.837 176.600 -0.401 0.000 0.942 7 K CA -0.434 55.691 56.287 -0.269 0.000 0.816 7 K CB 1.833 33.971 32.500 -0.603 0.000 1.155 7 K HN 0.491 nan 8.250 nan 0.000 0.428 8 F N 0.581 120.490 119.950 -0.069 0.000 2.561 8 F HA 0.377 4.904 4.527 0.000 0.000 0.321 8 F C 1.356 177.129 175.800 -0.045 0.000 1.065 8 F CA 0.137 58.114 58.000 -0.038 0.000 0.934 8 F CB 1.783 40.770 39.000 -0.021 0.000 1.215 8 F HN 0.806 nan 8.300 nan 0.000 0.471 9 G N 2.047 110.968 108.800 0.202 0.000 2.678 9 G HA2 -0.508 3.452 3.960 -0.000 0.000 0.362 9 G HA3 -0.508 3.452 3.960 -0.000 0.000 0.362 9 G C 1.279 176.206 174.900 0.045 0.000 1.169 9 G CA 1.609 46.771 45.100 0.103 0.000 0.933 9 G HN 0.684 nan 8.290 nan 0.000 0.587 10 N N 1.250 119.970 118.700 0.033 0.000 2.025 10 N HA -0.047 4.693 4.740 -0.000 0.000 0.194 10 N C 1.913 177.410 175.510 -0.021 0.000 1.044 10 N CA 1.935 54.988 53.050 0.005 0.000 0.851 10 N CB -0.404 38.084 38.487 0.002 0.000 1.036 10 N HN 0.564 nan 8.380 nan 0.000 0.422 11 D N 0.492 120.873 120.400 -0.031 0.000 2.177 11 D HA -0.250 4.390 4.640 -0.000 0.000 0.189 11 D C 1.814 178.030 176.300 -0.141 0.000 1.002 11 D CA 1.764 55.710 54.000 -0.090 0.000 0.845 11 D CB -0.949 39.786 40.800 -0.108 0.000 0.960 11 D HN 0.345 nan 8.370 nan 0.000 0.447 12 A N 1.066 123.802 122.820 -0.139 0.000 1.927 12 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 12 A C 2.193 179.726 177.584 -0.086 0.000 1.185 12 A CA 2.219 54.159 52.037 -0.162 0.000 0.639 12 A CB -0.610 18.331 19.000 -0.098 0.000 0.820 12 A HN 0.240 nan 8.150 nan 0.000 0.451 13 R N -1.094 119.379 120.500 -0.044 0.000 2.119 13 R HA 0.027 4.367 4.340 -0.000 0.000 0.222 13 R C 2.030 178.318 176.300 -0.020 0.000 1.088 13 R CA 1.067 57.157 56.100 -0.018 0.000 0.984 13 R CB -0.566 29.732 30.300 -0.003 0.000 0.884 13 R HN 0.395 nan 8.270 nan 0.000 0.447 14 V N 1.843 121.737 119.914 -0.034 0.000 2.237 14 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 14 V C 2.206 178.285 176.094 -0.025 0.000 1.046 14 V CA 1.707 63.990 62.300 -0.028 0.000 1.007 14 V CB -0.354 31.450 31.823 -0.033 0.000 0.638 14 V HN 0.170 nan 8.190 nan 0.000 0.445 15 K N -0.526 119.843 120.400 -0.051 0.000 2.077 15 K HA -0.234 4.086 4.320 -0.000 0.000 0.213 15 K C 2.087 178.700 176.600 0.021 0.000 1.051 15 K CA 1.909 58.181 56.287 -0.024 0.000 0.929 15 K CB -0.785 31.662 32.500 -0.087 0.000 0.715 15 K HN 0.394 nan 8.250 nan 0.000 0.451 16 M N -0.109 119.501 119.600 0.017 0.000 2.108 16 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 16 M C 2.149 178.465 176.300 0.026 0.000 1.066 16 M CA 1.241 56.562 55.300 0.035 0.000 1.107 16 M CB -0.254 32.363 32.600 0.028 0.000 1.356 16 M HN 0.083 nan 8.290 nan 0.000 0.406 17 L N 0.435 121.667 121.223 0.014 0.000 2.027 17 L HA -0.174 4.166 4.340 -0.000 0.000 0.206 17 L C 2.422 179.301 176.870 0.014 0.000 1.074 17 L CA 1.826 56.674 54.840 0.012 0.000 0.745 17 L CB -0.550 41.513 42.059 0.006 0.000 0.898 17 L HN 0.166 nan 8.230 nan 0.000 0.433 18 R N -0.367 120.141 120.500 0.013 0.000 2.073 18 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 18 R C 2.231 178.543 176.300 0.020 0.000 1.134 18 R CA 1.209 57.318 56.100 0.015 0.000 0.952 18 R CB -1.411 28.899 30.300 0.015 0.000 0.850 18 R HN 0.558 nan 8.270 nan 0.000 0.433 19 G N 1.636 110.453 108.800 0.029 0.000 2.631 19 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.219 19 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.219 19 G C 1.498 176.411 174.900 0.022 0.000 1.214 19 G CA 1.462 46.580 45.100 0.031 0.000 0.785 19 G HN 0.311 nan 8.290 nan 0.000 0.596 20 V N 1.389 121.316 119.914 0.021 0.000 2.252 20 V HA -0.282 3.838 4.120 -0.000 0.000 0.249 20 V C 2.340 178.442 176.094 0.014 0.000 1.056 20 V CA 3.042 65.352 62.300 0.017 0.000 1.022 20 V CB -0.963 30.870 31.823 0.018 0.000 0.641 20 V HN 0.557 nan 8.190 nan 0.000 0.445 21 N N -0.128 118.579 118.700 0.013 0.000 2.060 21 N HA -0.196 4.544 4.740 -0.000 0.000 0.195 21 N C 1.762 177.278 175.510 0.010 0.000 1.028 21 N CA 1.989 55.046 53.050 0.011 0.000 0.861 21 N CB -0.444 38.049 38.487 0.010 0.000 1.029 21 N HN 0.467 nan 8.380 nan 0.000 0.428 22 V N 1.316 121.237 119.914 0.011 0.000 2.343 22 V HA -0.186 3.933 4.120 -0.000 0.000 0.247 22 V C 2.213 178.312 176.094 0.008 0.000 1.051 22 V CA 1.223 63.529 62.300 0.010 0.000 1.036 22 V CB -0.556 31.274 31.823 0.011 0.000 0.654 22 V HN 0.389 nan 8.190 nan 0.000 0.451 23 L N 0.132 121.360 121.223 0.009 0.000 1.971 23 L HA -0.254 4.086 4.340 -0.000 0.000 0.215 23 L C 2.580 179.453 176.870 0.006 0.000 1.072 23 L CA 2.522 57.366 54.840 0.006 0.000 0.758 23 L CB -0.741 41.321 42.059 0.006 0.000 0.889 23 L HN 0.396 nan 8.230 nan 0.000 0.433 24 A N -0.815 122.010 122.820 0.007 0.000 2.019 24 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 24 A C 1.755 179.343 177.584 0.007 0.000 1.164 24 A CA 1.809 53.850 52.037 0.007 0.000 0.644 24 A CB -0.435 18.570 19.000 0.009 0.000 0.805 24 A HN 0.538 nan 8.150 nan 0.000 0.449 25 D N -0.251 120.153 120.400 0.007 0.000 2.249 25 D HA 0.113 4.753 4.640 -0.000 0.000 0.205 25 D C 2.044 178.347 176.300 0.005 0.000 0.962 25 D CA 1.127 55.131 54.000 0.006 0.000 0.860 25 D CB -0.157 40.647 40.800 0.006 0.000 0.955 25 D HN 0.440 nan 8.370 nan 0.000 0.505 26 A N 0.463 123.286 122.820 0.005 0.000 1.970 26 A HA -0.018 4.302 4.320 -0.000 0.000 0.216 26 A C 2.222 179.808 177.584 0.003 0.000 1.170 26 A CA 0.612 52.651 52.037 0.004 0.000 0.645 26 A CB -0.204 18.799 19.000 0.004 0.000 0.816 26 A HN 0.166 nan 8.150 nan 0.000 0.447 27 V N 0.602 120.518 119.914 0.003 0.000 3.125 27 V HA -0.061 4.059 4.120 -0.000 0.000 0.249 27 V C 2.272 178.367 176.094 0.003 0.000 1.113 27 V CA 1.743 64.044 62.300 0.002 0.000 1.106 27 V CB -0.278 31.546 31.823 0.000 0.000 0.768 27 V HN 0.772 nan 8.190 nan 0.000 0.468 28 K N 0.692 121.094 120.400 0.004 0.000 2.365 28 K HA -0.036 4.284 4.320 -0.000 0.000 0.199 28 K C 1.427 178.031 176.600 0.006 0.000 1.045 28 K CA 1.707 57.997 56.287 0.006 0.000 0.962 28 K CB -0.384 32.120 32.500 0.007 0.000 0.759 28 K HN 0.490 nan 8.250 nan 0.000 0.469 29 V N -0.242 119.675 119.914 0.005 0.000 3.510 29 V HA -0.016 4.104 4.120 -0.000 0.000 0.270 29 V C 1.446 177.542 176.094 0.005 0.000 1.201 29 V CA 1.069 63.373 62.300 0.005 0.000 1.166 29 V CB -0.874 30.952 31.823 0.005 0.000 0.825 29 V HN 0.480 nan 8.190 nan 0.000 0.484 30 T N -3.055 111.501 114.554 0.003 0.000 3.215 30 T HA 0.328 4.678 4.350 -0.000 0.000 0.271 30 T C 1.099 175.800 174.700 0.001 0.000 1.012 30 T CA 0.249 62.350 62.100 0.002 0.000 0.899 30 T CB 0.663 69.531 68.868 0.001 0.000 1.089 30 T HN 0.322 nan 8.240 nan 0.000 0.552 31 L N 2.182 123.407 121.223 0.004 0.000 2.102 31 L HA 0.502 4.842 4.340 -0.000 0.000 0.202 31 L C 1.538 178.409 176.870 0.002 0.000 1.076 31 L CA 1.084 55.926 54.840 0.003 0.000 0.761 31 L CB -1.176 40.887 42.059 0.006 0.000 0.921 31 L HN 0.379 nan 8.230 nan 0.000 0.444 32 G N -0.077 108.726 108.800 0.004 0.000 2.939 32 G HA2 -0.026 3.933 3.960 -0.000 0.000 0.257 32 G HA3 -0.026 3.933 3.960 -0.000 0.000 0.257 32 G C -1.509 173.385 174.900 -0.011 0.000 1.259 32 G CA 0.156 45.256 45.100 -0.000 0.000 0.928 32 G HN 0.425 nan 8.290 nan 0.000 0.615 33 P HA 0.014 nan 4.420 nan 0.000 0.234 33 P C 0.442 177.729 177.300 -0.022 0.000 1.167 33 P CA 1.127 64.210 63.100 -0.027 0.000 0.763 33 P CB 0.342 32.014 31.700 -0.046 0.000 0.835 34 K N 0.344 120.735 120.400 -0.015 0.000 3.271 34 K HA 0.323 4.643 4.320 -0.000 0.000 0.192 34 K C 0.689 177.287 176.600 -0.002 0.000 1.108 34 K CA -0.376 55.905 56.287 -0.010 0.000 0.902 34 K CB 0.935 33.429 32.500 -0.010 0.000 0.889 34 K HN 0.002 nan 8.250 nan 0.000 0.520 35 G N 0.686 109.485 108.800 -0.003 0.000 2.616 35 G HA2 0.243 4.203 3.960 -0.000 0.000 0.268 35 G HA3 0.243 4.203 3.960 -0.000 0.000 0.268 35 G C 0.029 174.929 174.900 0.001 0.000 1.213 35 G CA -0.482 44.618 45.100 0.000 0.000 0.926 35 G HN 0.138 nan 8.290 nan 0.000 0.523 36 R N -0.358 120.144 120.500 0.002 0.000 2.700 36 R HA 0.335 4.675 4.340 -0.000 0.000 0.253 36 R C -0.139 176.162 176.300 0.002 0.000 1.091 36 R CA -0.881 55.220 56.100 0.002 0.000 1.104 36 R CB 0.444 30.746 30.300 0.003 0.000 1.202 36 R HN 0.554 nan 8.270 nan 0.000 0.532 37 N N 0.023 118.724 118.700 0.002 0.000 2.498 37 N HA 0.272 5.012 4.740 -0.000 0.000 0.287 37 N C -0.653 174.858 175.510 0.002 0.000 1.097 37 N CA -0.380 52.671 53.050 0.002 0.000 0.973 37 N CB 1.914 40.402 38.487 0.002 0.000 1.153 37 N HN 0.078 nan 8.380 nan 0.000 0.472 38 V N 1.696 121.612 119.914 0.003 0.000 2.581 38 V HA 0.351 4.471 4.120 -0.000 0.000 0.303 38 V C 0.117 176.213 176.094 0.004 0.000 1.041 38 V CA -0.799 61.503 62.300 0.003 0.000 0.907 38 V CB 2.132 33.957 31.823 0.003 0.000 0.994 38 V HN 0.304 nan 8.190 nan 0.000 0.442 39 V N 5.638 125.554 119.914 0.004 0.000 2.398 39 V HA 0.473 4.593 4.120 -0.000 0.000 0.286 39 V C -0.690 175.406 176.094 0.005 0.000 1.026 39 V CA -0.530 61.773 62.300 0.004 0.000 0.868 39 V CB 1.542 33.367 31.823 0.003 0.000 0.982 39 V HN 0.517 nan 8.190 nan 0.000 0.443 40 L N 4.298 125.525 121.223 0.007 0.000 2.377 40 L HA 0.505 4.845 4.340 -0.000 0.000 0.270 40 L C -0.132 176.744 176.870 0.010 0.000 0.991 40 L CA -0.303 54.542 54.840 0.008 0.000 0.851 40 L CB 1.206 43.271 42.059 0.009 0.000 1.218 40 L HN 0.592 nan 8.230 nan 0.000 0.420 41 D N 3.377 123.782 120.400 0.008 0.000 2.400 41 D HA 0.163 4.803 4.640 -0.000 0.000 0.238 41 D C -0.248 176.063 176.300 0.017 0.000 1.157 41 D CA 0.403 54.408 54.000 0.008 0.000 0.889 41 D CB 0.867 41.667 40.800 0.000 0.000 1.199 41 D HN 0.278 nan 8.370 nan 0.000 0.436 42 K N 2.114 122.530 120.400 0.026 0.000 2.535 42 K HA 0.184 4.504 4.320 -0.000 0.000 0.250 42 K C 0.621 177.262 176.600 0.068 0.000 0.948 42 K CA -0.527 55.790 56.287 0.050 0.000 0.796 42 K CB 1.411 33.943 32.500 0.053 0.000 1.216 42 K HN 0.365 nan 8.250 nan 0.000 0.432 43 S N 2.936 118.694 115.700 0.096 0.000 2.460 43 S HA -0.165 4.305 4.470 -0.000 0.000 0.241 43 S C 0.459 175.067 174.600 0.013 0.000 1.051 43 S CA 1.589 59.819 58.200 0.051 0.000 1.223 43 S CB -0.315 63.005 63.200 0.198 0.000 1.160 43 S HN 0.478 nan 8.310 nan 0.000 0.424 44 F N 0.823 120.772 119.950 -0.002 0.000 2.377 44 F HA 0.579 5.106 4.527 -0.000 0.000 0.328 44 F C 1.219 177.019 175.800 -0.001 0.000 1.094 44 F CA -0.099 57.900 58.000 -0.002 0.000 1.093 44 F CB 0.032 39.031 39.000 -0.002 0.000 1.214 44 F HN 0.588 nan 8.300 nan 0.000 0.518 45 G N 0.395 109.294 108.800 0.165 0.000 2.693 45 G HA2 0.205 4.165 3.960 -0.000 0.000 0.226 45 G HA3 0.205 4.165 3.960 -0.000 0.000 0.226 45 G C -0.699 174.234 174.900 0.054 0.000 1.354 45 G CA -0.686 44.470 45.100 0.093 0.000 0.873 45 G HN 1.163 nan 8.290 nan 0.000 0.562 46 A N 1.057 123.901 122.820 0.041 0.000 2.322 46 A HA 0.791 5.111 4.320 -0.000 0.000 0.269 46 A C -0.840 176.759 177.584 0.025 0.000 1.094 46 A CA -0.089 51.964 52.037 0.026 0.000 0.807 46 A CB -0.020 18.993 19.000 0.021 0.000 1.047 46 A HN 0.923 nan 8.150 nan 0.000 0.487 47 P HA 0.239 nan 4.420 nan 0.000 0.273 47 P C -0.343 176.966 177.300 0.015 0.000 1.250 47 P CA -0.037 63.072 63.100 0.015 0.000 0.793 47 P CB 0.319 32.025 31.700 0.009 0.000 1.011 48 T N 1.065 115.627 114.554 0.014 0.000 2.771 48 T HA 0.501 4.851 4.350 -0.000 0.000 0.281 48 T C 0.161 174.867 174.700 0.009 0.000 0.982 48 T CA -0.339 61.768 62.100 0.013 0.000 0.978 48 T CB -0.079 68.798 68.868 0.014 0.000 0.930 48 T HN 0.163 nan 8.240 nan 0.000 0.447 49 I N 3.063 123.638 120.570 0.008 0.000 2.336 49 I HA 0.543 4.713 4.170 -0.000 0.000 0.292 49 I C 0.509 176.629 176.117 0.005 0.000 0.991 49 I CA -0.542 60.761 61.300 0.006 0.000 1.227 49 I CB 1.646 39.649 38.000 0.005 0.000 1.366 49 I HN 0.463 nan 8.210 nan 0.000 0.466 50 T N 4.354 118.910 114.554 0.004 0.000 2.894 50 T HA 0.349 4.699 4.350 -0.000 0.000 0.309 50 T C -0.191 174.510 174.700 0.002 0.000 1.208 50 T CA -0.615 61.487 62.100 0.003 0.000 1.016 50 T CB 1.797 70.667 68.868 0.004 0.000 1.192 50 T HN 0.701 nan 8.240 nan 0.000 0.491 51 K N 1.521 121.922 120.400 0.001 0.000 2.478 51 K HA 0.197 4.517 4.320 -0.000 0.000 0.205 51 K C -0.633 175.967 176.600 -0.001 0.000 1.033 51 K CA -0.227 56.060 56.287 0.000 0.000 1.091 51 K CB 0.474 32.973 32.500 -0.001 0.000 0.844 51 K HN 0.449 nan 8.250 nan 0.000 0.507 52 D N -0.034 120.366 120.400 -0.000 0.000 2.473 52 D HA 0.118 4.758 4.640 -0.000 0.000 0.226 52 D C 1.062 177.361 176.300 -0.002 0.000 1.089 52 D CA -0.380 53.620 54.000 -0.001 0.000 0.883 52 D CB 1.233 42.033 40.800 0.000 0.000 1.029 52 D HN 0.204 nan 8.370 nan 0.000 0.517 53 G N 2.308 111.105 108.800 -0.004 0.000 2.499 53 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.221 53 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.221 53 G C 1.414 176.310 174.900 -0.007 0.000 1.109 53 G CA 0.645 45.742 45.100 -0.004 0.000 0.749 53 G HN 0.468 nan 8.290 nan 0.000 0.568 54 V N 0.644 120.553 119.914 -0.008 0.000 2.323 54 V HA -0.143 3.977 4.120 -0.000 0.000 0.244 54 V C 3.048 179.138 176.094 -0.007 0.000 1.041 54 V CA 2.069 64.362 62.300 -0.011 0.000 1.025 54 V CB -0.383 31.432 31.823 -0.013 0.000 0.656 54 V HN 0.376 nan 8.190 nan 0.000 0.451 55 S N 0.075 115.773 115.700 -0.003 0.000 2.359 55 S HA -0.213 4.256 4.470 -0.000 0.000 0.223 55 S C 2.016 176.617 174.600 0.001 0.000 1.039 55 S CA 1.783 59.983 58.200 0.001 0.000 1.042 55 S CB -0.358 62.844 63.200 0.003 0.000 0.915 55 S HN 0.362 nan 8.310 nan 0.000 0.439 56 V N 2.156 122.070 119.914 0.000 0.000 2.233 56 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 56 V C 2.691 178.785 176.094 -0.001 0.000 1.050 56 V CA 1.820 64.120 62.300 0.001 0.000 1.010 56 V CB -1.398 30.426 31.823 0.001 0.000 0.637 56 V HN 0.559 nan 8.190 nan 0.000 0.444 57 A N 0.278 123.096 122.820 -0.003 0.000 1.903 57 A HA -0.360 3.960 4.320 -0.000 0.000 0.219 57 A C 2.372 179.953 177.584 -0.005 0.000 1.191 57 A CA 2.652 54.686 52.037 -0.005 0.000 0.638 57 A CB -0.746 18.248 19.000 -0.010 0.000 0.823 57 A HN 0.546 nan 8.150 nan 0.000 0.451 58 R N -0.757 119.740 120.500 -0.005 0.000 2.139 58 R HA -0.212 4.128 4.340 -0.000 0.000 0.243 58 R C 1.711 178.011 176.300 -0.001 0.000 1.145 58 R CA 1.959 58.056 56.100 -0.004 0.000 0.976 58 R CB -0.194 30.105 30.300 -0.002 0.000 0.866 58 R HN 0.448 nan 8.270 nan 0.000 0.449 59 E N -0.121 120.080 120.200 0.001 0.000 2.371 59 E HA 0.069 4.419 4.350 -0.000 0.000 0.194 59 E C -0.217 176.384 176.600 0.002 0.000 1.012 59 E CA 0.172 56.574 56.400 0.004 0.000 0.860 59 E CB 0.237 29.940 29.700 0.005 0.000 0.811 59 E HN 0.202 nan 8.360 nan 0.000 0.502 60 I N 2.216 122.787 120.570 0.001 0.000 2.436 60 I HA 0.130 4.300 4.170 -0.000 0.000 0.289 60 I C 0.214 176.331 176.117 0.000 0.000 1.083 60 I CA 0.211 61.511 61.300 0.001 0.000 1.372 60 I CB -0.007 37.994 38.000 0.002 0.000 1.408 60 I HN 0.050 nan 8.210 nan 0.000 0.516 61 E N 7.742 127.943 120.200 0.001 0.000 2.278 61 E HA 0.545 4.895 4.350 -0.000 0.000 0.272 61 E C -1.764 174.837 176.600 0.002 0.000 0.890 61 E CA -0.605 55.795 56.400 -0.000 0.000 0.770 61 E CB 1.718 31.416 29.700 -0.002 0.000 1.212 61 E HN 0.446 nan 8.360 nan 0.000 0.415 62 L N 2.993 124.218 121.223 0.004 0.000 2.365 62 L HA 0.438 4.778 4.340 -0.000 0.000 0.267 62 L C 1.499 178.373 176.870 0.007 0.000 1.033 62 L CA -0.624 54.221 54.840 0.009 0.000 0.802 62 L CB 1.119 43.188 42.059 0.017 0.000 1.267 62 L HN 0.723 nan 8.230 nan 0.000 0.457 63 E N -0.133 120.074 120.200 0.011 0.000 2.076 63 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 63 E C 0.338 176.946 176.600 0.014 0.000 0.979 63 E CA 0.253 56.658 56.400 0.009 0.000 0.807 63 E CB 0.305 30.012 29.700 0.011 0.000 0.761 63 E HN 0.616 nan 8.360 nan 0.000 0.454 64 D N 1.606 122.026 120.400 0.033 0.000 2.382 64 D HA -0.026 4.614 4.640 -0.000 0.000 0.259 64 D C -0.415 175.915 176.300 0.050 0.000 1.224 64 D CA 0.103 54.141 54.000 0.063 0.000 0.894 64 D CB 0.629 41.482 40.800 0.088 0.000 1.127 64 D HN 0.084 nan 8.370 nan 0.000 0.487 65 K N 2.900 123.297 120.400 -0.005 0.000 2.188 65 K HA 0.103 4.423 4.320 -0.000 0.000 0.246 65 K C 0.642 177.235 176.600 -0.011 0.000 1.026 65 K CA -0.502 55.721 56.287 -0.107 0.000 0.871 65 K CB 0.710 33.047 32.500 -0.273 0.000 1.042 65 K HN 0.410 nan 8.250 nan 0.000 0.509 66 F N -1.209 118.731 119.950 -0.017 0.000 2.527 66 F HA -0.363 4.164 4.527 -0.000 0.000 0.750 66 F C 1.984 177.776 175.800 -0.013 0.000 0.485 66 F CA 1.749 59.737 58.000 -0.019 0.000 0.762 66 F CB -1.424 37.564 39.000 -0.019 0.000 1.612 66 F HN 0.756 nan 8.300 nan 0.000 0.278 67 E N 0.185 120.515 120.200 0.217 0.000 2.086 67 E HA -0.343 4.007 4.350 -0.000 0.000 0.205 67 E C 1.627 178.268 176.600 0.068 0.000 1.027 67 E CA 2.027 58.490 56.400 0.104 0.000 0.830 67 E CB -0.395 29.354 29.700 0.082 0.000 0.751 67 E HN 0.484 nan 8.360 nan 0.000 0.456 68 N N -0.021 118.711 118.700 0.053 0.000 2.120 68 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 68 N C 1.765 177.285 175.510 0.017 0.000 1.024 68 N CA 1.448 54.511 53.050 0.021 0.000 0.852 68 N CB -0.022 38.464 38.487 -0.002 0.000 1.003 68 N HN 0.120 nan 8.380 nan 0.000 0.424 69 M N -0.746 118.866 119.600 0.021 0.000 2.149 69 M HA -0.050 4.430 4.480 -0.000 0.000 0.261 69 M C 2.190 178.508 176.300 0.029 0.000 1.064 69 M CA 1.560 56.869 55.300 0.015 0.000 1.102 69 M CB -0.664 31.949 32.600 0.022 0.000 1.369 69 M HN 0.320 nan 8.290 nan 0.000 0.408 70 G N 0.251 109.079 108.800 0.046 0.000 2.459 70 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 70 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 70 G C 1.642 176.557 174.900 0.025 0.000 1.183 70 G CA 1.091 46.214 45.100 0.039 0.000 0.776 70 G HN 0.537 nan 8.290 nan 0.000 0.552 71 A N -0.178 122.655 122.820 0.022 0.000 1.898 71 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 71 A C 2.392 179.980 177.584 0.007 0.000 1.181 71 A CA 1.844 53.889 52.037 0.013 0.000 0.620 71 A CB -0.358 18.649 19.000 0.012 0.000 0.819 71 A HN 0.299 nan 8.150 nan 0.000 0.442 72 Q N -0.578 119.225 119.800 0.004 0.000 2.181 72 Q HA -0.147 4.193 4.340 -0.000 0.000 0.205 72 Q C 2.032 178.031 176.000 -0.002 0.000 0.980 72 Q CA 1.616 57.417 55.803 -0.003 0.000 0.862 72 Q CB -0.519 28.214 28.738 -0.008 0.000 0.905 72 Q HN 0.784 nan 8.270 nan 0.000 0.429 73 M N -0.653 118.951 119.600 0.005 0.000 2.132 73 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 73 M C 2.200 178.505 176.300 0.009 0.000 1.065 73 M CA 0.934 56.240 55.300 0.009 0.000 1.122 73 M CB -0.086 32.524 32.600 0.018 0.000 1.365 73 M HN -0.054 nan 8.290 nan 0.000 0.411 74 V N 0.254 120.174 119.914 0.009 0.000 2.379 74 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 74 V C 2.145 178.234 176.094 -0.007 0.000 1.044 74 V CA 1.634 63.940 62.300 0.009 0.000 1.036 74 V CB -0.603 31.227 31.823 0.012 0.000 0.664 74 V HN 0.413 nan 8.190 nan 0.000 0.453 75 K N -0.206 120.187 120.400 -0.011 0.000 2.103 75 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 75 K C 2.249 178.825 176.600 -0.039 0.000 1.048 75 K CA 1.709 57.982 56.287 -0.023 0.000 0.930 75 K CB -0.148 32.342 32.500 -0.018 0.000 0.716 75 K HN 0.505 nan 8.250 nan 0.000 0.444 76 E N 0.390 120.570 120.200 -0.032 0.000 2.051 76 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 76 E C 1.984 178.535 176.600 -0.082 0.000 0.991 76 E CA 1.071 57.445 56.400 -0.044 0.000 0.799 76 E CB 0.130 29.815 29.700 -0.024 0.000 0.748 76 E HN 0.059 nan 8.360 nan 0.000 0.449 77 V N 0.491 120.366 119.914 -0.065 0.000 2.488 77 V HA -0.123 3.997 4.120 -0.000 0.000 0.246 77 V C 2.175 178.122 176.094 -0.245 0.000 1.046 77 V CA 1.614 63.850 62.300 -0.106 0.000 1.053 77 V CB -0.085 31.767 31.823 0.049 0.000 0.679 77 V HN 0.398 nan 8.190 nan 0.000 0.458 78 A N -0.760 121.983 122.820 -0.128 0.000 1.969 78 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 78 A C 2.550 180.030 177.584 -0.174 0.000 1.169 78 A CA 2.068 54.029 52.037 -0.125 0.000 0.635 78 A CB -0.753 18.216 19.000 -0.051 0.000 0.810 78 A HN 0.606 nan 8.150 nan 0.000 0.445 79 S N 0.147 115.755 115.700 -0.154 0.000 2.383 79 S HA -0.187 4.282 4.470 -0.000 0.000 0.227 79 S C 1.933 176.405 174.600 -0.212 0.000 1.026 79 S CA 1.573 59.685 58.200 -0.147 0.000 0.981 79 S CB -0.392 62.751 63.200 -0.095 0.000 0.818 79 S HN 0.616 nan 8.310 nan 0.000 0.472 80 K N 1.347 121.558 120.400 -0.316 0.000 2.103 80 K HA -0.038 4.282 4.320 -0.000 0.000 0.207 80 K C 2.487 178.749 176.600 -0.563 0.000 1.048 80 K CA 1.159 57.189 56.287 -0.427 0.000 0.930 80 K CB -0.606 31.537 32.500 -0.594 0.000 0.716 80 K HN 0.488 nan 8.250 nan 0.000 0.444 81 A N 2.711 125.108 122.820 -0.705 0.000 1.873 81 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 81 A C 2.139 179.637 177.584 -0.143 0.000 1.193 81 A CA 1.979 53.812 52.037 -0.339 0.000 0.629 81 A CB -0.819 18.111 19.000 -0.116 0.000 0.826 81 A HN 0.372 nan 8.150 nan 0.000 0.447 82 N N -0.140 118.468 118.700 -0.153 0.000 2.166 82 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 82 N C 1.075 176.509 175.510 -0.128 0.000 1.019 82 N CA 1.709 54.683 53.050 -0.126 0.000 0.856 82 N CB -0.368 38.050 38.487 -0.115 0.000 0.993 82 N HN 0.397 nan 8.380 nan 0.000 0.426 83 D N 0.360 120.684 120.400 -0.127 0.000 2.123 83 D HA -0.081 4.558 4.640 -0.000 0.000 0.196 83 D C 1.282 177.552 176.300 -0.049 0.000 0.992 83 D CA 1.225 55.173 54.000 -0.085 0.000 0.833 83 D CB -0.195 40.554 40.800 -0.084 0.000 0.954 83 D HN 0.406 nan 8.370 nan 0.000 0.455 84 A N -0.869 121.934 122.820 -0.029 0.000 2.308 84 A HA 0.533 4.853 4.320 -0.000 0.000 0.217 84 A C 1.600 179.194 177.584 0.018 0.000 1.216 84 A CA 0.915 52.968 52.037 0.027 0.000 0.864 84 A CB 0.430 19.490 19.000 0.100 0.000 0.902 84 A HN 0.186 nan 8.150 nan 0.000 0.499 85 A N -2.741 120.062 122.820 -0.028 0.000 2.027 85 A HA 0.490 4.810 4.320 -0.000 0.000 0.196 85 A C 1.541 179.059 177.584 -0.110 0.000 1.573 85 A CA 1.009 53.026 52.037 -0.032 0.000 1.097 85 A CB -0.076 18.923 19.000 -0.001 0.000 1.196 85 A HN 1.736 nan 8.150 nan 0.000 0.462 86 G N -0.887 107.777 108.800 -0.226 0.000 2.148 86 G HA2 0.025 3.985 3.960 -0.000 0.000 0.203 86 G HA3 0.025 3.985 3.960 -0.000 0.000 0.203 86 G C -0.343 174.399 174.900 -0.263 0.000 0.993 86 G CA 0.510 45.331 45.100 -0.465 0.000 0.661 86 G HN 0.951 nan 8.290 nan 0.000 0.518 87 D N -2.808 117.504 120.400 -0.147 0.000 2.926 87 D HA 0.569 5.209 4.640 -0.000 0.000 0.282 87 D C 0.898 177.164 176.300 -0.057 0.000 1.201 87 D CA 1.507 55.455 54.000 -0.087 0.000 0.735 87 D CB 0.401 41.166 40.800 -0.059 0.000 1.257 87 D HN 1.390 nan 8.370 nan 0.000 0.428 88 G N -0.329 108.449 108.800 -0.037 0.000 2.284 88 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.201 88 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.201 88 G C 1.176 176.064 174.900 -0.020 0.000 0.998 88 G CA 1.096 46.186 45.100 -0.017 0.000 0.651 88 G HN 0.759 nan 8.290 nan 0.000 0.489 89 T N 1.098 115.629 114.554 -0.039 0.000 2.616 89 T HA -0.328 4.022 4.350 -0.000 0.000 0.261 89 T C 2.279 176.965 174.700 -0.024 0.000 1.105 89 T CA 2.972 65.046 62.100 -0.042 0.000 1.159 89 T CB -1.167 67.674 68.868 -0.046 0.000 0.856 89 T HN 0.568 nan 8.240 nan 0.000 0.449 90 T N 1.524 116.068 114.554 -0.017 0.000 2.770 90 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 90 T C 2.378 177.078 174.700 0.000 0.000 1.039 90 T CA 1.650 63.745 62.100 -0.007 0.000 1.142 90 T CB -0.827 68.038 68.868 -0.005 0.000 0.868 90 T HN 0.498 nan 8.240 nan 0.000 0.435 91 T N 2.326 116.881 114.554 0.002 0.000 2.684 91 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 91 T C 2.435 177.146 174.700 0.018 0.000 1.036 91 T CA 1.288 63.395 62.100 0.011 0.000 1.148 91 T CB -0.722 68.154 68.868 0.013 0.000 0.863 91 T HN 0.433 nan 8.240 nan 0.000 0.436 92 A N 1.384 124.215 122.820 0.019 0.000 1.903 92 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 92 A C 2.570 180.170 177.584 0.026 0.000 1.191 92 A CA 2.493 54.550 52.037 0.033 0.000 0.638 92 A CB -1.455 17.561 19.000 0.026 0.000 0.823 92 A HN 0.504 nan 8.150 nan 0.000 0.451 93 T N -0.515 114.046 114.554 0.012 0.000 2.708 93 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 93 T C 1.878 176.587 174.700 0.014 0.000 1.037 93 T CA 1.520 63.626 62.100 0.010 0.000 1.146 93 T CB -0.494 68.376 68.868 0.003 0.000 0.865 93 T HN 0.161 nan 8.240 nan 0.000 0.435 94 V N 1.389 121.311 119.914 0.013 0.000 2.332 94 V HA -0.142 3.978 4.120 -0.000 0.000 0.248 94 V C 2.407 178.511 176.094 0.017 0.000 1.055 94 V CA 1.570 63.879 62.300 0.014 0.000 1.038 94 V CB -0.596 31.235 31.823 0.013 0.000 0.651 94 V HN 0.423 nan 8.190 nan 0.000 0.450 95 L N -0.365 120.870 121.223 0.021 0.000 2.179 95 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 95 L C 2.612 179.496 176.870 0.024 0.000 1.096 95 L CA 1.170 56.024 54.840 0.023 0.000 0.779 95 L CB -0.644 41.431 42.059 0.028 0.000 0.922 95 L HN 0.313 nan 8.230 nan 0.000 0.443 96 A N -0.508 122.328 122.820 0.027 0.000 1.930 96 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 96 A C 2.273 179.871 177.584 0.022 0.000 1.175 96 A CA 1.626 53.680 52.037 0.029 0.000 0.627 96 A CB -0.473 18.546 19.000 0.032 0.000 0.815 96 A HN 0.478 nan 8.150 nan 0.000 0.443 97 Q N -0.432 119.379 119.800 0.018 0.000 2.119 97 Q HA -0.111 4.229 4.340 -0.000 0.000 0.201 97 Q C 2.169 178.177 176.000 0.014 0.000 0.972 97 Q CA 1.443 57.255 55.803 0.015 0.000 0.847 97 Q CB -0.326 28.419 28.738 0.013 0.000 0.903 97 Q HN 0.586 nan 8.270 nan 0.000 0.433 98 A N 0.755 123.583 122.820 0.015 0.000 1.877 98 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 98 A C 1.950 179.542 177.584 0.013 0.000 1.186 98 A CA 1.512 53.557 52.037 0.013 0.000 0.620 98 A CB -0.598 18.410 19.000 0.014 0.000 0.822 98 A HN 0.454 nan 8.150 nan 0.000 0.443 99 I N -0.325 120.254 120.570 0.015 0.000 2.233 99 I HA -0.190 3.979 4.170 -0.000 0.000 0.243 99 I C 2.242 178.366 176.117 0.013 0.000 1.093 99 I CA 1.140 62.448 61.300 0.013 0.000 1.380 99 I CB -0.328 37.681 38.000 0.015 0.000 1.067 99 I HN 0.260 nan 8.210 nan 0.000 0.413 100 I N 0.248 120.826 120.570 0.015 0.000 2.286 100 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 100 I C 2.534 178.658 176.117 0.012 0.000 1.115 100 I CA 1.391 62.700 61.300 0.014 0.000 1.392 100 I CB -0.753 37.257 38.000 0.016 0.000 1.065 100 I HN 0.247 nan 8.210 nan 0.000 0.418 101 T N 0.240 114.801 114.554 0.011 0.000 2.684 101 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 101 T C 1.855 176.559 174.700 0.007 0.000 1.036 101 T CA 1.418 63.523 62.100 0.009 0.000 1.148 101 T CB -0.107 68.766 68.868 0.008 0.000 0.863 101 T HN 0.301 nan 8.240 nan 0.000 0.436 102 E N 0.146 120.350 120.200 0.008 0.000 2.140 102 E HA 0.104 4.454 4.350 -0.000 0.000 0.191 102 E C 2.533 179.137 176.600 0.006 0.000 0.973 102 E CA 0.625 57.029 56.400 0.007 0.000 0.829 102 E CB -0.573 29.131 29.700 0.007 0.000 0.781 102 E HN 0.525 nan 8.360 nan 0.000 0.466 103 G N 1.053 109.858 108.800 0.008 0.000 2.408 103 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 103 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 103 G C 1.511 176.415 174.900 0.007 0.000 1.150 103 G CA 0.308 45.413 45.100 0.007 0.000 0.776 103 G HN 0.149 nan 8.290 nan 0.000 0.542 104 L N 0.051 121.279 121.223 0.007 0.000 2.240 104 L HA 0.270 4.610 4.340 -0.000 0.000 0.211 104 L C 2.622 179.495 176.870 0.005 0.000 1.106 104 L CA 1.226 56.070 54.840 0.007 0.000 0.793 104 L CB -0.327 41.736 42.059 0.007 0.000 0.927 104 L HN 0.115 nan 8.230 nan 0.000 0.446 105 K N -1.025 119.378 120.400 0.005 0.000 2.057 105 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 105 K C 2.144 178.746 176.600 0.003 0.000 1.050 105 K CA 1.188 57.477 56.287 0.003 0.000 0.935 105 K CB -0.250 32.252 32.500 0.003 0.000 0.715 105 K HN 0.319 nan 8.250 nan 0.000 0.439 106 A N 1.078 123.900 122.820 0.004 0.000 1.892 106 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 106 A C 2.334 179.920 177.584 0.004 0.000 1.188 106 A CA 2.131 54.170 52.037 0.004 0.000 0.631 106 A CB -1.089 17.914 19.000 0.004 0.000 0.822 106 A HN 0.253 nan 8.150 nan 0.000 0.447 107 V N -1.660 118.257 119.914 0.005 0.000 2.407 107 V HA -0.026 4.094 4.120 -0.000 0.000 0.248 107 V C 2.396 178.492 176.094 0.005 0.000 1.055 107 V CA 2.266 64.569 62.300 0.006 0.000 1.049 107 V CB -0.994 30.834 31.823 0.008 0.000 0.662 107 V HN 0.597 nan 8.190 nan 0.000 0.455 108 A N -0.063 122.759 122.820 0.004 0.000 2.119 108 A HA 0.404 4.724 4.320 -0.000 0.000 0.217 108 A C 2.303 179.888 177.584 0.001 0.000 1.153 108 A CA 1.410 53.448 52.037 0.002 0.000 0.692 108 A CB -0.689 18.312 19.000 0.001 0.000 0.799 108 A HN 1.057 nan 8.150 nan 0.000 0.458 109 A N -1.606 121.215 122.820 0.001 0.000 2.178 109 A HA 0.429 4.749 4.320 -0.000 0.000 0.211 109 A C 1.583 179.168 177.584 0.001 0.000 1.157 109 A CA 1.085 53.122 52.037 0.001 0.000 0.780 109 A CB -0.605 18.396 19.000 0.001 0.000 0.828 109 A HN 1.800 nan 8.150 nan 0.000 0.476 110 G N -1.106 107.695 108.800 0.001 0.000 2.207 110 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 110 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 110 G C -0.050 174.851 174.900 0.002 0.000 1.053 110 G CA 0.251 45.352 45.100 0.001 0.000 0.764 110 G HN 0.346 nan 8.290 nan 0.000 0.495 111 M N -0.051 119.551 119.600 0.003 0.000 2.494 111 M HA 0.385 4.865 4.480 -0.000 0.000 0.300 111 M C 0.659 176.961 176.300 0.004 0.000 1.189 111 M CA -0.916 54.385 55.300 0.003 0.000 0.982 111 M CB 0.761 33.363 32.600 0.003 0.000 1.534 111 M HN 0.116 nan 8.290 nan 0.000 0.488 112 N N 1.726 120.429 118.700 0.004 0.000 2.405 112 N HA 0.137 4.877 4.740 -0.000 0.000 0.260 112 N C -2.126 173.387 175.510 0.006 0.000 1.152 112 N CA -1.359 51.694 53.050 0.005 0.000 0.948 112 N CB 1.049 39.539 38.487 0.004 0.000 1.111 112 N HN 0.251 nan 8.380 nan 0.000 0.485 113 P HA -0.153 nan 4.420 nan 0.000 0.217 113 P C 1.350 178.655 177.300 0.008 0.000 1.151 113 P CA 1.262 64.367 63.100 0.009 0.000 0.849 113 P CB 0.274 31.981 31.700 0.012 0.000 0.787 114 M N -0.940 118.664 119.600 0.007 0.000 2.200 114 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 114 M C 1.438 177.741 176.300 0.005 0.000 1.066 114 M CA 1.608 56.912 55.300 0.007 0.000 1.127 114 M CB -0.818 31.786 32.600 0.007 0.000 1.379 114 M HN -0.225 nan 8.290 nan 0.000 0.420 115 D N -0.254 120.149 120.400 0.004 0.000 2.144 115 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 115 D C 2.025 178.327 176.300 0.003 0.000 0.978 115 D CA 1.274 55.276 54.000 0.003 0.000 0.833 115 D CB -0.179 40.623 40.800 0.003 0.000 0.961 115 D HN 0.360 nan 8.370 nan 0.000 0.470 116 L N 0.707 121.932 121.223 0.004 0.000 2.056 116 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 116 L C 2.568 179.440 176.870 0.004 0.000 1.078 116 L CA 0.963 55.806 54.840 0.004 0.000 0.749 116 L CB -0.356 41.706 42.059 0.005 0.000 0.901 116 L HN -0.043 nan 8.230 nan 0.000 0.433 117 K N 0.524 120.926 120.400 0.004 0.000 2.009 117 K HA -0.260 4.060 4.320 -0.000 0.000 0.210 117 K C 2.284 178.885 176.600 0.001 0.000 1.049 117 K CA 1.572 57.861 56.287 0.003 0.000 0.929 117 K CB -0.028 32.475 32.500 0.004 0.000 0.714 117 K HN 0.033 nan 8.250 nan 0.000 0.440 118 R N -0.182 120.319 120.500 0.001 0.000 2.154 118 R HA -0.191 4.149 4.340 -0.000 0.000 0.236 118 R C 2.287 178.586 176.300 -0.001 0.000 1.121 118 R CA 2.260 58.360 56.100 -0.001 0.000 0.915 118 R CB -1.109 29.191 30.300 0.000 0.000 0.856 118 R HN 0.476 nan 8.270 nan 0.000 0.431 119 G N 0.851 109.651 108.800 0.000 0.000 2.766 119 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.222 119 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.222 119 G C 1.460 176.360 174.900 0.000 0.000 1.225 119 G CA 1.754 46.854 45.100 0.000 0.000 0.784 119 G HN 0.401 nan 8.290 nan 0.000 0.631 120 I N 1.006 121.577 120.570 0.001 0.000 2.113 120 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 120 I C 2.317 178.433 176.117 -0.003 0.000 1.057 120 I CA 1.866 63.166 61.300 0.000 0.000 1.314 120 I CB -0.283 37.719 38.000 0.002 0.000 1.022 120 I HN 0.119 nan 8.210 nan 0.000 0.408 121 D N 0.199 120.597 120.400 -0.005 0.000 2.269 121 D HA -0.136 4.504 4.640 -0.000 0.000 0.208 121 D C 2.058 178.352 176.300 -0.010 0.000 0.963 121 D CA 0.843 54.837 54.000 -0.010 0.000 0.864 121 D CB -0.108 40.685 40.800 -0.011 0.000 0.936 121 D HN 0.346 nan 8.370 nan 0.000 0.505 122 K N 0.672 121.068 120.400 -0.006 0.000 1.991 122 K HA -0.027 4.293 4.320 -0.000 0.000 0.207 122 K C 2.080 178.677 176.600 -0.004 0.000 1.045 122 K CA 0.915 57.199 56.287 -0.005 0.000 0.937 122 K CB -0.002 32.496 32.500 -0.003 0.000 0.720 122 K HN -0.035 nan 8.250 nan 0.000 0.438 123 A N 0.987 123.805 122.820 -0.002 0.000 1.903 123 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 123 A C 2.272 179.855 177.584 -0.002 0.000 1.191 123 A CA 2.104 54.141 52.037 -0.001 0.000 0.638 123 A CB -0.932 18.069 19.000 0.001 0.000 0.823 123 A HN 0.187 nan 8.150 nan 0.000 0.451 124 V N -0.611 119.300 119.914 -0.005 0.000 2.237 124 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 124 V C 2.709 178.796 176.094 -0.011 0.000 1.046 124 V CA 2.549 64.844 62.300 -0.009 0.000 1.007 124 V CB -1.478 30.336 31.823 -0.016 0.000 0.638 124 V HN 0.617 nan 8.190 nan 0.000 0.445 125 T N 0.408 114.954 114.554 -0.013 0.000 2.685 125 T HA -0.287 4.063 4.350 -0.000 0.000 0.268 125 T C 1.951 176.647 174.700 -0.008 0.000 1.034 125 T CA 2.026 64.118 62.100 -0.013 0.000 1.149 125 T CB -0.456 68.405 68.868 -0.012 0.000 0.860 125 T HN 0.606 nan 8.240 nan 0.000 0.449 126 A N 0.866 123.684 122.820 -0.005 0.000 1.897 126 A HA 0.357 4.677 4.320 -0.000 0.000 0.215 126 A C 2.587 180.171 177.584 0.001 0.000 1.181 126 A CA 1.530 53.566 52.037 -0.001 0.000 0.620 126 A CB -0.889 18.111 19.000 -0.000 0.000 0.821 126 A HN 0.506 nan 8.150 nan 0.000 0.443 127 A N -0.515 122.305 122.820 0.001 0.000 1.968 127 A HA 0.130 4.449 4.320 -0.000 0.000 0.217 127 A C 2.158 179.744 177.584 0.003 0.000 1.169 127 A CA 1.426 53.465 52.037 0.004 0.000 0.638 127 A CB -0.731 18.273 19.000 0.005 0.000 0.812 127 A HN 0.316 nan 8.150 nan 0.000 0.446 128 V N -0.007 119.906 119.914 -0.002 0.000 2.255 128 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 128 V C 2.522 178.616 176.094 -0.000 0.000 1.051 128 V CA 2.434 64.731 62.300 -0.003 0.000 1.018 128 V CB -0.840 30.976 31.823 -0.012 0.000 0.641 128 V HN 0.575 nan 8.190 nan 0.000 0.445 129 E N 0.242 120.441 120.200 -0.001 0.000 2.035 129 E HA -0.239 4.111 4.350 -0.000 0.000 0.204 129 E C 2.294 178.897 176.600 0.005 0.000 1.025 129 E CA 1.690 58.091 56.400 0.002 0.000 0.835 129 E CB -0.372 29.329 29.700 0.001 0.000 0.764 129 E HN 0.522 nan 8.360 nan 0.000 0.457 130 E N -0.204 120.000 120.200 0.006 0.000 2.108 130 E HA -0.240 4.110 4.350 -0.000 0.000 0.203 130 E C 2.117 178.724 176.600 0.012 0.000 1.022 130 E CA 1.002 57.407 56.400 0.009 0.000 0.823 130 E CB -0.412 29.294 29.700 0.010 0.000 0.744 130 E HN 0.180 nan 8.360 nan 0.000 0.456 131 L N 1.505 122.735 121.223 0.011 0.000 2.043 131 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 131 L C 2.229 179.107 176.870 0.012 0.000 1.075 131 L CA 1.733 56.581 54.840 0.013 0.000 0.752 131 L CB -0.501 41.565 42.059 0.012 0.000 0.891 131 L HN 0.072 nan 8.230 nan 0.000 0.432 132 K N -1.128 119.278 120.400 0.010 0.000 2.147 132 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 132 K C 2.039 178.645 176.600 0.011 0.000 1.049 132 K CA 1.284 57.577 56.287 0.009 0.000 0.936 132 K CB -0.280 32.224 32.500 0.007 0.000 0.722 132 K HN 0.359 nan 8.250 nan 0.000 0.446 133 A N 1.457 124.283 122.820 0.011 0.000 1.897 133 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 133 A C 2.106 179.699 177.584 0.015 0.000 1.181 133 A CA 0.768 52.812 52.037 0.012 0.000 0.620 133 A CB -0.412 18.594 19.000 0.011 0.000 0.821 133 A HN 0.181 nan 8.150 nan 0.000 0.443 134 L N 0.239 121.472 121.223 0.017 0.000 2.083 134 L HA 0.023 4.363 4.340 -0.000 0.000 0.209 134 L C 1.465 178.348 176.870 0.021 0.000 1.083 134 L CA 1.295 56.148 54.840 0.021 0.000 0.752 134 L CB -0.687 41.386 42.059 0.025 0.000 0.899 134 L HN 0.263 nan 8.230 nan 0.000 0.433 135 S N -0.786 114.925 115.700 0.018 0.000 2.593 135 S HA 0.092 4.562 4.470 -0.000 0.000 0.300 135 S C -0.198 174.412 174.600 0.016 0.000 1.267 135 S CA -0.365 57.845 58.200 0.017 0.000 1.065 135 S CB 0.021 63.229 63.200 0.015 0.000 0.807 135 S HN 0.087 nan 8.310 nan 0.000 0.499 136 V N 8.851 128.775 119.914 0.017 0.000 2.398 136 V HA 0.386 4.506 4.120 -0.000 0.000 0.286 136 V C -1.981 174.121 176.094 0.014 0.000 1.026 136 V CA -1.843 60.466 62.300 0.015 0.000 0.868 136 V CB 1.408 33.241 31.823 0.017 0.000 0.982 136 V HN 0.746 nan 8.190 nan 0.000 0.443 137 P HA 0.146 nan 4.420 nan 0.000 0.270 137 P C -0.737 176.570 177.300 0.012 0.000 1.223 137 P CA -0.211 62.896 63.100 0.012 0.000 0.785 137 P CB 0.404 32.111 31.700 0.010 0.000 0.923 138 C N 1.533 120.840 119.300 0.012 0.000 2.478 138 C HA 0.626 5.086 4.460 -0.000 0.000 0.334 138 C C 1.100 176.096 174.990 0.010 0.000 1.106 138 C CA 0.400 59.424 59.018 0.011 0.000 1.363 138 C CB -0.389 27.359 27.740 0.012 0.000 1.941 138 C HN 0.643 nan 8.230 nan 0.000 0.436 139 S N 3.051 118.756 115.700 0.009 0.000 2.930 139 S HA 0.208 4.678 4.470 -0.000 0.000 0.253 139 S C 0.227 174.831 174.600 0.006 0.000 1.083 139 S CA 0.573 58.778 58.200 0.008 0.000 0.836 139 S CB -0.145 63.060 63.200 0.008 0.000 0.814 139 S HN 0.937 nan 8.310 nan 0.000 0.467 140 D N 1.316 121.720 120.400 0.006 0.000 2.358 140 D HA 0.377 5.017 4.640 -0.000 0.000 0.244 140 D C 1.062 177.364 176.300 0.004 0.000 1.163 140 D CA -0.112 53.891 54.000 0.005 0.000 0.945 140 D CB 0.462 41.264 40.800 0.005 0.000 1.152 140 D HN 0.053 nan 8.370 nan 0.000 0.451 141 S N -0.271 115.430 115.700 0.003 0.000 2.374 141 S HA -0.256 4.214 4.470 -0.000 0.000 0.227 141 S C 1.572 176.174 174.600 0.003 0.000 1.037 141 S CA 1.756 59.957 58.200 0.002 0.000 1.024 141 S CB -0.351 62.850 63.200 0.001 0.000 0.861 141 S HN 0.640 nan 8.310 nan 0.000 0.456 142 K N 0.915 121.316 120.400 0.003 0.000 2.001 142 K HA -0.150 4.170 4.320 -0.000 0.000 0.214 142 K C 2.180 178.783 176.600 0.005 0.000 1.050 142 K CA 1.521 57.810 56.287 0.004 0.000 0.934 142 K CB -0.474 32.028 32.500 0.004 0.000 0.718 142 K HN 0.309 nan 8.250 nan 0.000 0.443 143 A N 1.119 123.942 122.820 0.006 0.000 1.933 143 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 143 A C 2.041 179.629 177.584 0.007 0.000 1.175 143 A CA 1.382 53.423 52.037 0.007 0.000 0.628 143 A CB -0.543 18.462 19.000 0.008 0.000 0.814 143 A HN 0.332 nan 8.150 nan 0.000 0.444 144 I N 0.137 120.711 120.570 0.006 0.000 2.099 144 I HA -0.266 3.904 4.170 -0.000 0.000 0.239 144 I C 2.951 179.072 176.117 0.006 0.000 1.066 144 I CA 1.545 62.849 61.300 0.006 0.000 1.324 144 I CB -1.633 36.370 38.000 0.005 0.000 1.037 144 I HN 0.360 nan 8.210 nan 0.000 0.401 145 A N -0.280 122.542 122.820 0.004 0.000 1.933 145 A HA -0.265 4.054 4.320 -0.000 0.000 0.218 145 A C 2.237 179.823 177.584 0.003 0.000 1.175 145 A CA 1.774 53.812 52.037 0.003 0.000 0.628 145 A CB -0.639 18.362 19.000 0.001 0.000 0.814 145 A HN 0.485 nan 8.150 nan 0.000 0.444 146 Q N 0.195 119.997 119.800 0.004 0.000 1.943 146 Q HA -0.210 4.130 4.340 -0.000 0.000 0.213 146 Q C 2.091 178.094 176.000 0.006 0.000 1.017 146 Q CA 3.375 59.181 55.803 0.005 0.000 0.874 146 Q CB -0.793 27.948 28.738 0.006 0.000 0.960 146 Q HN 0.723 nan 8.270 nan 0.000 0.417 147 V N -0.467 119.451 119.914 0.008 0.000 2.427 147 V HA -0.053 4.067 4.120 -0.000 0.000 0.248 147 V C 1.912 178.012 176.094 0.010 0.000 1.051 147 V CA 2.496 64.801 62.300 0.009 0.000 1.048 147 V CB -1.404 30.427 31.823 0.012 0.000 0.666 147 V HN 0.507 nan 8.190 nan 0.000 0.456 148 G N 0.924 109.730 108.800 0.009 0.000 2.514 148 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.217 148 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.217 148 G C 1.811 176.714 174.900 0.006 0.000 1.198 148 G CA 2.637 47.742 45.100 0.008 0.000 0.780 148 G HN 0.771 nan 8.290 nan 0.000 0.565 149 T N 0.100 114.656 114.554 0.003 0.000 2.720 149 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 149 T C 2.422 177.122 174.700 0.001 0.000 1.037 149 T CA 1.457 63.557 62.100 0.001 0.000 1.144 149 T CB -0.351 68.517 68.868 -0.000 0.000 0.864 149 T HN 0.244 nan 8.240 nan 0.000 0.444 150 I N 1.675 122.246 120.570 0.001 0.000 2.226 150 I HA -0.126 4.044 4.170 -0.000 0.000 0.245 150 I C 3.021 179.138 176.117 0.000 0.000 1.100 150 I CA 1.425 62.725 61.300 -0.001 0.000 1.374 150 I CB -0.536 37.463 38.000 -0.001 0.000 1.057 150 I HN 0.306 nan 8.210 nan 0.000 0.413 151 S N 0.328 116.031 115.700 0.005 0.000 2.447 151 S HA 0.020 4.490 4.470 -0.000 0.000 0.233 151 S C 1.702 176.307 174.600 0.009 0.000 1.006 151 S CA 1.010 59.216 58.200 0.009 0.000 0.957 151 S CB -0.144 63.067 63.200 0.018 0.000 0.773 151 S HN 0.440 nan 8.310 nan 0.000 0.507 152 A N 1.272 124.096 122.820 0.006 0.000 2.545 152 A HA 0.405 4.725 4.320 -0.000 0.000 0.277 152 A C 0.479 178.063 177.584 -0.000 0.000 1.301 152 A CA -0.214 51.825 52.037 0.004 0.000 0.935 152 A CB -0.684 18.318 19.000 0.003 0.000 1.093 152 A HN 0.688 nan 8.150 nan 0.000 0.519 153 N N 0.257 118.956 118.700 -0.002 0.000 2.729 153 N HA -0.200 4.540 4.740 -0.000 0.000 0.259 153 N C 0.175 175.681 175.510 -0.007 0.000 1.119 153 N CA 0.512 53.558 53.050 -0.006 0.000 0.679 153 N CB -1.065 37.419 38.487 -0.006 0.000 0.892 153 N HN 0.406 nan 8.380 nan 0.000 0.558 154 S N -0.843 114.853 115.700 -0.007 0.000 3.143 154 S HA -0.236 4.234 4.470 -0.000 0.000 0.291 154 S C -0.142 174.455 174.600 -0.005 0.000 1.294 154 S CA 1.422 59.617 58.200 -0.007 0.000 1.115 154 S CB -0.676 62.519 63.200 -0.010 0.000 1.318 154 S HN 0.797 nan 8.310 nan 0.000 0.685 155 D N 1.326 121.723 120.400 -0.004 0.000 2.393 155 D HA 0.270 4.910 4.640 -0.000 0.000 0.232 155 D C 0.979 177.277 176.300 -0.003 0.000 1.192 155 D CA -0.141 53.857 54.000 -0.004 0.000 0.882 155 D CB 0.518 41.316 40.800 -0.004 0.000 1.038 155 D HN 0.420 nan 8.370 nan 0.000 0.499 156 E N 1.115 121.313 120.200 -0.003 0.000 2.204 156 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 156 E C 1.746 178.344 176.600 -0.002 0.000 0.990 156 E CA 1.262 57.660 56.400 -0.002 0.000 0.821 156 E CB 0.272 29.971 29.700 -0.002 0.000 0.750 156 E HN 0.645 nan 8.360 nan 0.000 0.477 157 T N -1.743 112.809 114.554 -0.003 0.000 2.867 157 T HA -0.086 4.264 4.350 -0.000 0.000 0.268 157 T C 2.018 176.715 174.700 -0.004 0.000 1.057 157 T CA 0.992 63.090 62.100 -0.004 0.000 1.136 157 T CB -0.339 68.526 68.868 -0.004 0.000 0.874 157 T HN -0.036 nan 8.240 nan 0.000 0.466 158 V N 1.924 121.836 119.914 -0.004 0.000 2.358 158 V HA 0.070 4.190 4.120 -0.000 0.000 0.246 158 V C 3.158 179.251 176.094 -0.003 0.000 1.047 158 V CA 1.614 63.912 62.300 -0.004 0.000 1.035 158 V CB -1.623 30.199 31.823 -0.003 0.000 0.658 158 V HN 0.645 nan 8.190 nan 0.000 0.452 159 G N -0.102 108.697 108.800 -0.001 0.000 2.476 159 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.218 159 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.218 159 G C 1.633 176.532 174.900 -0.001 0.000 1.164 159 G CA 1.336 46.436 45.100 -0.000 0.000 0.768 159 G HN 0.493 nan 8.290 nan 0.000 0.560 160 K N -0.479 119.920 120.400 -0.002 0.000 1.991 160 K HA -0.073 4.247 4.320 -0.000 0.000 0.212 160 K C 2.539 179.137 176.600 -0.004 0.000 1.049 160 K CA 1.253 57.538 56.287 -0.003 0.000 0.932 160 K CB -0.327 32.172 32.500 -0.003 0.000 0.717 160 K HN 0.209 nan 8.250 nan 0.000 0.441 161 L N 1.221 122.440 121.223 -0.006 0.000 2.042 161 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 161 L C 2.155 179.019 176.870 -0.009 0.000 1.076 161 L CA 1.539 56.375 54.840 -0.008 0.000 0.749 161 L CB -0.358 41.695 42.059 -0.009 0.000 0.893 161 L HN 0.285 nan 8.230 nan 0.000 0.432 162 I N -1.224 119.341 120.570 -0.008 0.000 2.113 162 I HA -0.327 3.843 4.170 -0.000 0.000 0.238 162 I C 2.636 178.750 176.117 -0.006 0.000 1.070 162 I CA 1.226 62.521 61.300 -0.008 0.000 1.332 162 I CB -0.681 37.316 38.000 -0.006 0.000 1.044 162 I HN 0.233 nan 8.210 nan 0.000 0.402 163 A N 0.328 123.146 122.820 -0.003 0.000 1.927 163 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 163 A C 2.242 179.824 177.584 -0.003 0.000 1.185 163 A CA 2.258 54.294 52.037 -0.002 0.000 0.639 163 A CB -0.757 18.242 19.000 -0.001 0.000 0.820 163 A HN 0.508 nan 8.150 nan 0.000 0.451 164 E N -0.830 119.367 120.200 -0.005 0.000 2.072 164 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 164 E C 2.418 179.014 176.600 -0.007 0.000 0.982 164 E CA 0.745 57.142 56.400 -0.005 0.000 0.803 164 E CB -0.249 29.448 29.700 -0.006 0.000 0.755 164 E HN 0.627 nan 8.360 nan 0.000 0.453 165 A N 1.482 124.297 122.820 -0.009 0.000 1.851 165 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 165 A C 2.216 179.795 177.584 -0.009 0.000 1.195 165 A CA 1.739 53.770 52.037 -0.011 0.000 0.622 165 A CB -0.616 18.376 19.000 -0.014 0.000 0.831 165 A HN 0.160 nan 8.150 nan 0.000 0.444 166 M N -0.906 118.690 119.600 -0.007 0.000 2.144 166 M HA -0.233 4.247 4.480 -0.000 0.000 0.260 166 M C 1.777 178.074 176.300 -0.004 0.000 1.067 166 M CA 2.210 57.507 55.300 -0.005 0.000 1.095 166 M CB -0.974 31.625 32.600 -0.002 0.000 1.365 166 M HN 0.513 nan 8.290 nan 0.000 0.406 167 D N 0.331 120.729 120.400 -0.004 0.000 2.263 167 D HA -0.109 4.531 4.640 -0.000 0.000 0.208 167 D C 1.862 178.160 176.300 -0.004 0.000 0.971 167 D CA 1.092 55.090 54.000 -0.003 0.000 0.867 167 D CB 0.279 41.077 40.800 -0.003 0.000 0.929 167 D HN 0.330 nan 8.370 nan 0.000 0.492 168 K N -1.079 119.318 120.400 -0.005 0.000 2.262 168 K HA 0.132 4.452 4.320 -0.000 0.000 0.200 168 K C 1.325 177.922 176.600 -0.006 0.000 1.058 168 K CA 0.200 56.484 56.287 -0.006 0.000 0.974 168 K CB 0.805 33.301 32.500 -0.007 0.000 0.910 168 K HN -0.025 nan 8.250 nan 0.000 0.484 169 V N 0.349 120.259 119.914 -0.006 0.000 3.528 169 V HA 0.285 4.405 4.120 -0.000 0.000 0.294 169 V C -0.063 176.028 176.094 -0.005 0.000 1.404 169 V CA 0.770 63.066 62.300 -0.006 0.000 1.065 169 V CB 0.340 32.158 31.823 -0.008 0.000 0.904 169 V HN 0.518 nan 8.190 nan 0.000 0.435 170 G N 0.768 109.566 108.800 -0.004 0.000 2.612 170 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 170 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 170 G C -0.064 174.836 174.900 -0.001 0.000 1.274 170 G CA -0.079 45.020 45.100 -0.002 0.000 0.849 170 G HN 0.302 nan 8.290 nan 0.000 0.595 171 K N -0.034 120.366 120.400 0.001 0.000 2.504 171 K HA 0.069 4.389 4.320 -0.000 0.000 0.195 171 K C 1.885 178.487 176.600 0.004 0.000 1.036 171 K CA 1.530 57.819 56.287 0.003 0.000 0.984 171 K CB 0.174 32.677 32.500 0.005 0.000 0.788 171 K HN 0.405 nan 8.250 nan 0.000 0.488 172 E N 0.819 121.020 120.200 0.003 0.000 2.038 172 E HA 0.050 4.400 4.350 -0.000 0.000 0.190 172 E C 0.709 177.309 176.600 -0.001 0.000 0.967 172 E CA 0.571 56.972 56.400 0.003 0.000 0.816 172 E CB -0.515 29.187 29.700 0.004 0.000 0.784 172 E HN 0.289 nan 8.360 nan 0.000 0.456 173 G N 1.202 110.000 108.800 -0.003 0.000 2.732 173 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.251 173 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.251 173 G C -0.023 174.870 174.900 -0.011 0.000 0.628 173 G CA 0.064 45.160 45.100 -0.006 0.000 1.066 173 G HN 0.117 nan 8.290 nan 0.000 0.296 174 V N 4.386 124.293 119.914 -0.013 0.000 2.446 174 V HA 0.161 4.281 4.120 -0.000 0.000 0.276 174 V C 0.868 176.946 176.094 -0.028 0.000 1.030 174 V CA 0.378 62.664 62.300 -0.022 0.000 1.033 174 V CB 0.273 32.082 31.823 -0.023 0.000 0.993 174 V HN 0.489 nan 8.190 nan 0.000 0.477 175 I N 5.709 126.257 120.570 -0.036 0.000 2.355 175 I HA 0.469 4.639 4.170 -0.000 0.000 0.288 175 I C 0.452 176.538 176.117 -0.053 0.000 0.999 175 I CA -0.222 61.054 61.300 -0.039 0.000 1.163 175 I CB 1.685 39.662 38.000 -0.037 0.000 1.316 175 I HN 0.670 nan 8.210 nan 0.000 0.454 176 T N 2.593 117.118 114.554 -0.048 0.000 2.940 176 T HA 0.772 5.122 4.350 -0.000 0.000 0.288 176 T C -0.389 174.283 174.700 -0.046 0.000 1.045 176 T CA -0.826 61.242 62.100 -0.054 0.000 1.018 176 T CB 2.276 71.114 68.868 -0.051 0.000 1.151 176 T HN 0.175 nan 8.240 nan 0.000 0.529 177 V N 0.954 120.840 119.914 -0.047 0.000 2.540 177 V HA 0.567 4.687 4.120 -0.000 0.000 0.302 177 V C -0.238 175.837 176.094 -0.031 0.000 1.035 177 V CA -0.763 61.515 62.300 -0.038 0.000 0.873 177 V CB 1.363 33.162 31.823 -0.041 0.000 0.992 177 V HN 0.971 nan 8.190 nan 0.000 0.428 178 E N 1.444 121.629 120.200 -0.026 0.000 2.281 178 E HA 0.419 4.769 4.350 -0.000 0.000 0.262 178 E C -1.348 175.241 176.600 -0.018 0.000 0.933 178 E CA -1.007 55.379 56.400 -0.022 0.000 0.809 178 E CB 1.665 31.352 29.700 -0.022 0.000 1.242 178 E HN 0.655 nan 8.360 nan 0.000 0.418 179 D N 0.681 121.071 120.400 -0.016 0.000 2.458 179 D HA 0.182 4.822 4.640 -0.000 0.000 0.243 179 D C -0.074 176.218 176.300 -0.013 0.000 1.146 179 D CA 0.455 54.447 54.000 -0.013 0.000 0.877 179 D CB 0.870 41.663 40.800 -0.011 0.000 1.176 179 D HN 0.439 nan 8.370 nan 0.000 0.461 180 G N 0.174 108.967 108.800 -0.012 0.000 2.476 180 G HA2 0.368 4.328 3.960 -0.000 0.000 0.269 180 G HA3 0.368 4.328 3.960 -0.000 0.000 0.269 180 G C 0.912 175.806 174.900 -0.010 0.000 1.195 180 G CA -0.343 44.750 45.100 -0.011 0.000 0.843 180 G HN 0.486 nan 8.290 nan 0.000 0.545 181 T N -1.564 112.984 114.554 -0.010 0.000 2.990 181 T HA 0.391 4.741 4.350 -0.000 0.000 0.250 181 T C 1.157 175.852 174.700 -0.008 0.000 1.041 181 T CA 0.683 62.777 62.100 -0.009 0.000 1.010 181 T CB 0.522 69.384 68.868 -0.010 0.000 1.003 181 T HN 0.755 nan 8.240 nan 0.000 0.499 182 G N 1.129 109.924 108.800 -0.008 0.000 3.122 182 G HA2 0.544 4.504 3.960 -0.000 0.000 0.180 182 G HA3 0.544 4.504 3.960 -0.000 0.000 0.180 182 G C 0.105 175.001 174.900 -0.006 0.000 1.279 182 G CA -0.334 44.762 45.100 -0.007 0.000 0.987 182 G HN 0.212 nan 8.290 nan 0.000 0.589 183 L N -0.856 120.363 121.223 -0.006 0.000 2.513 183 L HA 0.376 4.716 4.340 -0.000 0.000 0.222 183 L C 0.637 177.503 176.870 -0.006 0.000 1.096 183 L CA 0.416 55.253 54.840 -0.005 0.000 0.857 183 L CB -0.216 41.840 42.059 -0.005 0.000 1.026 183 L HN 0.225 nan 8.230 nan 0.000 0.469 184 Q N 1.645 121.441 119.800 -0.006 0.000 2.261 184 Q HA 0.178 4.518 4.340 -0.000 0.000 0.252 184 Q C -0.759 175.236 176.000 -0.007 0.000 0.915 184 Q CA -0.255 55.544 55.803 -0.006 0.000 0.915 184 Q CB 0.926 29.660 28.738 -0.006 0.000 1.204 184 Q HN 0.310 nan 8.270 nan 0.000 0.421 185 D N 2.130 122.526 120.400 -0.007 0.000 2.399 185 D HA 0.114 4.754 4.640 -0.000 0.000 0.241 185 D C -0.242 176.053 176.300 -0.009 0.000 1.133 185 D CA 0.448 54.443 54.000 -0.009 0.000 0.890 185 D CB 0.930 41.725 40.800 -0.008 0.000 1.201 185 D HN 0.372 nan 8.370 nan 0.000 0.432 186 E N 0.272 120.466 120.200 -0.010 0.000 2.343 186 E HA 0.556 4.906 4.350 -0.000 0.000 0.270 186 E C -0.814 175.778 176.600 -0.012 0.000 0.895 186 E CA -0.771 55.623 56.400 -0.011 0.000 0.767 186 E CB 2.662 32.356 29.700 -0.011 0.000 1.248 186 E HN 0.160 nan 8.360 nan 0.000 0.440 187 L N 2.509 123.725 121.223 -0.011 0.000 2.404 187 L HA 0.474 4.814 4.340 -0.000 0.000 0.272 187 L C -1.652 175.211 176.870 -0.012 0.000 0.980 187 L CA -0.435 54.398 54.840 -0.012 0.000 0.836 187 L CB 1.022 43.074 42.059 -0.011 0.000 1.238 187 L HN 0.625 nan 8.230 nan 0.000 0.408 188 D N 4.505 124.897 120.400 -0.013 0.000 2.646 188 D HA 0.375 5.014 4.640 -0.000 0.000 0.245 188 D C -0.471 175.821 176.300 -0.013 0.000 1.099 188 D CA -0.250 53.743 54.000 -0.013 0.000 0.849 188 D CB 3.236 44.028 40.800 -0.013 0.000 1.448 188 D HN 0.317 nan 8.370 nan 0.000 0.489 189 V N -0.411 119.496 119.914 -0.012 0.000 2.644 189 V HA 0.782 4.902 4.120 -0.000 0.000 0.295 189 V C 0.017 176.104 176.094 -0.011 0.000 1.053 189 V CA -0.418 61.875 62.300 -0.011 0.000 0.987 189 V CB 1.624 33.441 31.823 -0.009 0.000 1.006 189 V HN 0.344 nan 8.190 nan 0.000 0.472 190 V N 1.486 121.393 119.914 -0.012 0.000 3.147 190 V HA 0.451 4.571 4.120 -0.000 0.000 0.299 190 V C -0.666 175.423 176.094 -0.009 0.000 1.302 190 V CA -0.587 61.706 62.300 -0.011 0.000 1.015 190 V CB 2.293 34.107 31.823 -0.014 0.000 1.086 190 V HN 1.093 nan 8.190 nan 0.000 0.437 191 E N 2.475 122.671 120.200 -0.008 0.000 2.465 191 E HA 0.495 4.845 4.350 -0.000 0.000 0.260 191 E C 0.370 176.968 176.600 -0.002 0.000 0.980 191 E CA 1.193 57.591 56.400 -0.004 0.000 0.927 191 E CB 0.906 30.604 29.700 -0.003 0.000 0.934 191 E HN 1.134 nan 8.360 nan 0.000 0.459 192 G N 1.126 109.928 108.800 0.004 0.000 2.392 192 G HA2 0.485 4.445 3.960 -0.000 0.000 0.260 192 G HA3 0.485 4.445 3.960 -0.000 0.000 0.260 192 G C -1.053 173.860 174.900 0.021 0.000 1.226 192 G CA -0.410 44.695 45.100 0.009 0.000 0.913 192 G HN 0.446 nan 8.290 nan 0.000 0.483 193 M N -0.234 119.381 119.600 0.024 0.000 3.019 193 M HA 0.381 4.860 4.480 -0.000 0.000 0.256 193 M C -2.424 173.896 176.300 0.034 0.000 0.911 193 M CA -0.501 54.829 55.300 0.051 0.000 0.794 193 M CB 2.058 34.719 32.600 0.101 0.000 1.643 193 M HN 0.866 nan 8.290 nan 0.000 0.572 194 Q N 3.102 122.930 119.800 0.046 0.000 2.315 194 Q HA 0.746 5.086 4.340 -0.000 0.000 0.273 194 Q C -2.201 173.839 176.000 0.067 0.000 1.053 194 Q CA -0.614 55.164 55.803 -0.040 0.000 0.817 194 Q CB 2.339 31.039 28.738 -0.063 0.000 1.326 194 Q HN 0.543 nan 8.270 nan 0.000 0.423 195 F N -0.134 119.812 119.950 -0.007 0.000 2.588 195 F HA 0.507 5.033 4.527 -0.000 0.000 0.310 195 F C -0.534 175.264 175.800 -0.002 0.000 1.082 195 F CA -1.155 56.843 58.000 -0.003 0.000 0.929 195 F CB 1.229 40.229 39.000 -0.000 0.000 1.254 195 F HN 0.301 nan 8.300 nan 0.000 0.455 196 D N 3.304 123.846 120.400 0.238 0.000 2.745 196 D HA 0.172 4.812 4.640 -0.000 0.000 0.229 196 D C -0.242 176.155 176.300 0.162 0.000 1.088 196 D CA 0.416 54.490 54.000 0.124 0.000 1.054 196 D CB -0.182 40.677 40.800 0.097 0.000 1.132 196 D HN 0.330 nan 8.370 nan 0.000 0.464 197 R N -0.168 120.427 120.500 0.159 0.000 2.673 197 R HA 0.652 4.992 4.340 -0.000 0.000 0.281 197 R C 0.245 176.544 176.300 -0.002 0.000 0.991 197 R CA -0.832 55.348 56.100 0.134 0.000 0.896 197 R CB 2.211 32.692 30.300 0.302 0.000 1.201 197 R HN 0.187 nan 8.270 nan 0.000 0.457 198 G N 0.781 109.552 108.800 -0.048 0.000 2.597 198 G HA2 0.474 4.434 3.960 -0.000 0.000 0.317 198 G HA3 0.474 4.434 3.960 -0.000 0.000 0.317 198 G C -0.699 174.150 174.900 -0.086 0.000 1.230 198 G CA -0.601 44.391 45.100 -0.180 0.000 0.996 198 G HN 0.451 nan 8.290 nan 0.000 0.490 199 Y N -0.958 119.379 120.300 0.061 0.000 2.683 199 Y HA 0.246 4.796 4.550 -0.000 0.000 0.340 199 Y C 1.058 177.060 175.900 0.171 0.000 1.245 199 Y CA -0.905 57.270 58.100 0.124 0.000 1.485 199 Y CB 0.371 38.947 38.460 0.193 0.000 1.328 199 Y HN 0.202 nan 8.280 nan 0.000 0.603 200 L N 1.718 123.256 121.223 0.525 0.000 2.558 200 L HA 0.153 4.493 4.340 -0.000 0.000 0.225 200 L C 0.571 177.663 176.870 0.372 0.000 1.128 200 L CA 0.778 55.855 54.840 0.395 0.000 0.868 200 L CB -0.056 42.206 42.059 0.338 0.000 1.006 200 L HN 0.805 nan 8.230 nan 0.000 0.454 201 S N -1.381 114.572 115.700 0.423 0.000 2.584 201 S HA 0.328 4.798 4.470 -0.000 0.000 0.280 201 S C -2.393 172.016 174.600 -0.318 0.000 1.162 201 S CA -0.896 57.293 58.200 -0.017 0.000 0.951 201 S CB 1.702 64.723 63.200 -0.298 0.000 1.108 201 S HN -0.244 nan 8.310 nan 0.000 0.464 202 P HA -0.035 nan 4.420 nan 0.000 0.221 202 P C 0.553 177.503 177.300 -0.583 0.000 1.145 202 P CA 0.939 63.596 63.100 -0.740 0.000 0.795 202 P CB -0.141 31.245 31.700 -0.524 0.000 0.775 203 Y N -2.546 117.521 120.300 -0.388 0.000 2.639 203 Y HA -0.037 4.513 4.550 -0.000 0.000 0.297 203 Y C 1.795 177.508 175.900 -0.311 0.000 1.151 203 Y CA 0.344 58.245 58.100 -0.332 0.000 1.335 203 Y CB -1.310 36.951 38.460 -0.331 0.000 0.994 203 Y HN -0.056 nan 8.280 nan 0.000 0.548 204 F N -0.314 119.581 119.950 -0.091 0.000 2.325 204 F HA -0.004 4.523 4.527 -0.000 0.000 0.299 204 F C 1.151 176.893 175.800 -0.096 0.000 1.090 204 F CA -0.381 57.573 58.000 -0.076 0.000 1.392 204 F CB -0.764 38.192 39.000 -0.073 0.000 1.053 204 F HN -0.177 nan 8.300 nan 0.000 0.521 205 I N 2.556 123.111 120.570 -0.024 0.000 2.919 205 I HA -0.225 3.945 4.170 -0.000 0.000 0.299 205 I C 0.889 177.018 176.117 0.020 0.000 1.221 205 I CA 0.433 61.714 61.300 -0.032 0.000 1.424 205 I CB 0.166 38.100 38.000 -0.109 0.000 1.358 205 I HN 0.214 nan 8.210 nan 0.000 0.551 206 N N 5.339 124.059 118.700 0.033 0.000 2.184 206 N HA 0.057 4.797 4.740 -0.000 0.000 0.206 206 N C -0.256 175.265 175.510 0.019 0.000 1.151 206 N CA -0.104 52.964 53.050 0.029 0.000 0.878 206 N CB 0.428 38.935 38.487 0.035 0.000 1.014 206 N HN 0.465 nan 8.380 nan 0.000 0.512 207 K N 0.930 121.341 120.400 0.018 0.000 2.827 207 K HA 0.274 4.594 4.320 -0.000 0.000 0.186 207 K C -2.177 174.433 176.600 0.017 0.000 1.093 207 K CA -1.552 54.744 56.287 0.016 0.000 0.993 207 K CB 2.086 34.596 32.500 0.016 0.000 1.199 207 K HN -0.084 nan 8.250 nan 0.000 0.598 208 P HA -0.178 nan 4.420 nan 0.000 0.224 208 P C 0.200 177.509 177.300 0.016 0.000 1.142 208 P CA 1.201 64.307 63.100 0.010 0.000 0.778 208 P CB 0.405 32.109 31.700 0.007 0.000 0.764 209 E N -0.962 119.249 120.200 0.017 0.000 2.299 209 E HA -0.034 4.316 4.350 -0.000 0.000 0.193 209 E C 1.477 178.093 176.600 0.027 0.000 0.998 209 E CA 1.100 57.511 56.400 0.019 0.000 0.851 209 E CB -0.945 28.765 29.700 0.015 0.000 0.795 209 E HN 0.253 nan 8.360 nan 0.000 0.492 210 T N -0.668 113.905 114.554 0.031 0.000 3.086 210 T HA 0.209 4.559 4.350 -0.000 0.000 0.250 210 T C 1.212 175.946 174.700 0.058 0.000 1.074 210 T CA 0.269 62.395 62.100 0.043 0.000 0.988 210 T CB 0.308 69.198 68.868 0.037 0.000 0.988 210 T HN 0.311 nan 8.240 nan 0.000 0.530 211 G N 1.846 110.676 108.800 0.051 0.000 2.393 211 G HA2 0.057 4.017 3.960 -0.000 0.000 0.299 211 G HA3 0.057 4.017 3.960 -0.000 0.000 0.299 211 G C 0.047 175.018 174.900 0.119 0.000 0.990 211 G CA 0.148 45.288 45.100 0.066 0.000 1.118 211 G HN 0.970 nan 8.290 nan 0.000 0.513 212 A N -1.194 121.680 122.820 0.090 0.000 2.587 212 A HA 0.868 5.188 4.320 -0.000 0.000 0.293 212 A C -0.518 177.113 177.584 0.079 0.000 1.087 212 A CA -0.290 51.819 52.037 0.120 0.000 0.692 212 A CB 1.900 20.954 19.000 0.089 0.000 1.291 212 A HN 1.270 nan 8.150 nan 0.000 0.407 213 V N 0.958 120.930 119.914 0.097 0.000 2.435 213 V HA 0.555 4.675 4.120 -0.000 0.000 0.290 213 V C -0.089 176.026 176.094 0.035 0.000 1.030 213 V CA -0.258 62.081 62.300 0.066 0.000 0.881 213 V CB 1.376 33.249 31.823 0.084 0.000 0.983 213 V HN 0.879 nan 8.190 nan 0.000 0.445 214 E N 4.481 124.694 120.200 0.021 0.000 2.325 214 E HA 0.502 4.852 4.350 -0.000 0.000 0.248 214 E C -1.540 175.060 176.600 0.000 0.000 0.912 214 E CA -0.418 55.984 56.400 0.004 0.000 0.782 214 E CB 1.419 31.121 29.700 0.003 0.000 1.264 214 E HN 0.589 nan 8.360 nan 0.000 0.417 215 L N 3.033 124.250 121.223 -0.009 0.000 2.317 215 L HA 0.447 4.787 4.340 -0.000 0.000 0.281 215 L C 0.089 176.946 176.870 -0.022 0.000 1.024 215 L CA -0.647 54.186 54.840 -0.011 0.000 0.810 215 L CB 1.495 43.546 42.059 -0.014 0.000 1.240 215 L HN 0.347 nan 8.230 nan 0.000 0.427 216 E N 1.876 122.063 120.200 -0.021 0.000 2.113 216 E HA 0.225 4.575 4.350 -0.000 0.000 0.273 216 E C -0.138 176.430 176.600 -0.053 0.000 0.924 216 E CA -0.369 56.011 56.400 -0.033 0.000 0.764 216 E CB 1.584 31.270 29.700 -0.024 0.000 1.104 216 E HN 0.650 nan 8.360 nan 0.000 0.406 217 S N 1.806 117.461 115.700 -0.076 0.000 3.635 217 S HA -0.105 4.365 4.470 -0.000 0.000 0.328 217 S C -2.245 172.238 174.600 -0.195 0.000 1.135 217 S CA 0.142 58.265 58.200 -0.129 0.000 0.942 217 S CB -0.971 62.154 63.200 -0.125 0.000 0.930 217 S HN 0.471 nan 8.310 nan 0.000 0.512 218 P HA 0.339 nan 4.420 nan 0.000 0.275 218 P C 0.270 177.472 177.300 -0.163 0.000 1.228 218 P CA -0.390 62.651 63.100 -0.097 0.000 0.786 218 P CB 0.289 31.976 31.700 -0.023 0.000 0.927 219 F N 1.617 121.566 119.950 -0.002 0.000 2.496 219 F HA 0.200 4.727 4.527 -0.000 0.000 0.344 219 F C 1.174 176.974 175.800 0.000 0.000 1.155 219 F CA 0.419 58.419 58.000 -0.000 0.000 1.302 219 F CB 0.034 39.035 39.000 0.000 0.000 1.159 219 F HN 0.098 nan 8.300 nan 0.000 0.595 220 I N 3.922 124.607 120.570 0.192 0.000 2.439 220 I HA 0.200 4.370 4.170 -0.000 0.000 0.283 220 I C -1.053 175.123 176.117 0.097 0.000 1.023 220 I CA -0.816 60.551 61.300 0.112 0.000 1.100 220 I CB 1.541 39.588 38.000 0.078 0.000 1.238 220 I HN 0.288 nan 8.210 nan 0.000 0.445 221 L N 8.046 129.313 121.223 0.073 0.000 2.319 221 L HA 0.378 4.718 4.340 -0.000 0.000 0.280 221 L C -0.604 176.288 176.870 0.037 0.000 1.099 221 L CA 0.307 55.175 54.840 0.047 0.000 0.828 221 L CB 0.571 42.649 42.059 0.032 0.000 1.150 221 L HN 0.531 nan 8.230 nan 0.000 0.442 222 L N 6.690 127.929 121.223 0.027 0.000 2.709 222 L HA 0.513 4.853 4.340 -0.000 0.000 0.236 222 L C 0.194 177.066 176.870 0.005 0.000 1.266 222 L CA -0.293 54.555 54.840 0.014 0.000 0.987 222 L CB 0.506 42.571 42.059 0.010 0.000 1.306 222 L HN 0.806 nan 8.230 nan 0.000 0.467 223 A N 0.003 122.827 122.820 0.007 0.000 2.328 223 A HA 0.296 4.616 4.320 -0.000 0.000 0.284 223 A C -0.135 177.449 177.584 0.000 0.000 1.160 223 A CA -0.293 51.747 52.037 0.005 0.000 0.818 223 A CB 0.396 19.403 19.000 0.011 0.000 1.087 223 A HN 0.480 nan 8.150 nan 0.000 0.504 224 D N 1.808 122.206 120.400 -0.002 0.000 2.557 224 D HA 0.429 5.069 4.640 -0.000 0.000 0.236 224 D C -0.157 176.145 176.300 0.003 0.000 1.154 224 D CA -0.052 53.945 54.000 -0.004 0.000 0.985 224 D CB -0.476 40.318 40.800 -0.010 0.000 1.010 224 D HN 0.660 nan 8.370 nan 0.000 0.516 225 K N -0.316 120.089 120.400 0.009 0.000 2.809 225 K HA 0.288 4.608 4.320 -0.000 0.000 0.293 225 K C -1.405 175.207 176.600 0.020 0.000 1.061 225 K CA -1.129 55.166 56.287 0.014 0.000 0.837 225 K CB 0.632 33.139 32.500 0.012 0.000 1.524 225 K HN -0.148 nan 8.250 nan 0.000 0.370 226 K N 1.439 121.852 120.400 0.023 0.000 2.258 226 K HA 0.359 4.679 4.320 -0.000 0.000 0.284 226 K C -0.564 176.053 176.600 0.028 0.000 1.051 226 K CA -0.425 55.878 56.287 0.028 0.000 0.923 226 K CB 0.683 33.200 32.500 0.028 0.000 1.046 226 K HN 0.372 nan 8.250 nan 0.000 0.474 227 I N 2.621 123.212 120.570 0.034 0.000 2.297 227 I HA 0.018 4.188 4.170 -0.000 0.000 0.291 227 I C 0.712 176.852 176.117 0.039 0.000 1.033 227 I CA 0.123 61.444 61.300 0.035 0.000 1.253 227 I CB 1.448 39.471 38.000 0.038 0.000 1.396 227 I HN 0.680 nan 8.210 nan 0.000 0.476 228 S N 3.981 119.701 115.700 0.032 0.000 2.591 228 S HA 0.199 4.669 4.470 -0.000 0.000 0.235 228 S C 0.599 175.217 174.600 0.030 0.000 1.074 228 S CA -0.025 58.194 58.200 0.032 0.000 0.925 228 S CB 0.288 63.503 63.200 0.025 0.000 0.818 228 S HN 0.606 nan 8.310 nan 0.000 0.535 229 N N 1.525 120.240 118.700 0.025 0.000 2.430 229 N HA 0.328 5.068 4.740 -0.000 0.000 0.292 229 N C 0.054 175.578 175.510 0.023 0.000 1.051 229 N CA -0.254 52.809 53.050 0.022 0.000 0.917 229 N CB 1.893 40.389 38.487 0.016 0.000 1.164 229 N HN 0.071 nan 8.380 nan 0.000 0.484 230 I N 1.816 122.400 120.570 0.023 0.000 3.001 230 I HA -0.108 4.062 4.170 -0.000 0.000 0.268 230 I C 2.036 178.162 176.117 0.016 0.000 1.267 230 I CA 0.611 61.925 61.300 0.024 0.000 1.472 230 I CB 0.103 38.119 38.000 0.026 0.000 1.089 230 I HN 0.465 nan 8.210 nan 0.000 0.468 231 R N 0.869 121.377 120.500 0.013 0.000 2.080 231 R HA -0.222 4.118 4.340 -0.000 0.000 0.236 231 R C 1.915 178.219 176.300 0.007 0.000 1.137 231 R CA 2.062 58.167 56.100 0.008 0.000 0.943 231 R CB -0.200 30.105 30.300 0.007 0.000 0.846 231 R HN 0.461 nan 8.270 nan 0.000 0.431 232 E N -0.244 119.961 120.200 0.009 0.000 2.209 232 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 232 E C 1.896 178.499 176.600 0.005 0.000 0.993 232 E CA 1.004 57.408 56.400 0.007 0.000 0.819 232 E CB -0.024 29.682 29.700 0.010 0.000 0.745 232 E HN 0.281 nan 8.360 nan 0.000 0.477 233 M N 0.098 119.703 119.600 0.008 0.000 2.193 233 M HA -0.026 4.454 4.480 -0.000 0.000 0.265 233 M C 2.320 178.620 176.300 -0.001 0.000 1.071 233 M CA 1.031 56.335 55.300 0.007 0.000 1.140 233 M CB -0.615 31.995 32.600 0.016 0.000 1.369 233 M HN 0.164 nan 8.290 nan 0.000 0.423 234 L N 0.501 121.724 121.223 -0.000 0.000 2.189 234 L HA -0.202 4.138 4.340 -0.000 0.000 0.214 234 L C -0.390 176.473 176.870 -0.013 0.000 1.097 234 L CA 1.346 56.184 54.840 -0.004 0.000 0.764 234 L CB -2.049 40.009 42.059 -0.002 0.000 0.900 234 L HN 0.203 nan 8.230 nan 0.000 0.436 235 P HA -0.092 nan 4.420 nan 0.000 0.217 235 P C 1.834 179.111 177.300 -0.039 0.000 1.151 235 P CA 1.201 64.285 63.100 -0.025 0.000 0.828 235 P CB 0.156 31.843 31.700 -0.023 0.000 0.788 236 V N 0.315 120.206 119.914 -0.039 0.000 2.407 236 V HA -0.130 3.990 4.120 -0.000 0.000 0.245 236 V C 2.764 178.821 176.094 -0.063 0.000 1.041 236 V CA 1.217 63.482 62.300 -0.060 0.000 1.040 236 V CB -1.148 30.647 31.823 -0.047 0.000 0.671 236 V HN -0.015 nan 8.190 nan 0.000 0.455 237 L N -0.283 120.920 121.223 -0.034 0.000 2.275 237 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 237 L C 2.452 179.306 176.870 -0.027 0.000 1.119 237 L CA 1.342 56.169 54.840 -0.021 0.000 0.790 237 L CB -0.315 41.744 42.059 0.000 0.000 0.919 237 L HN 0.422 nan 8.230 nan 0.000 0.443 238 E N -0.373 119.807 120.200 -0.034 0.000 2.122 238 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 238 E C 2.264 178.833 176.600 -0.051 0.000 0.977 238 E CA 0.814 57.194 56.400 -0.033 0.000 0.820 238 E CB 0.070 29.753 29.700 -0.028 0.000 0.770 238 E HN 0.466 nan 8.360 nan 0.000 0.462 239 A N 0.417 123.189 122.820 -0.081 0.000 1.929 239 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 239 A C 2.330 179.818 177.584 -0.160 0.000 1.176 239 A CA 0.762 52.727 52.037 -0.120 0.000 0.628 239 A CB -0.383 18.524 19.000 -0.155 0.000 0.816 239 A HN 0.126 nan 8.150 nan 0.000 0.444 240 V N -0.132 119.683 119.914 -0.165 0.000 2.307 240 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 240 V C 3.054 179.136 176.094 -0.021 0.000 1.045 240 V CA 1.834 64.051 62.300 -0.139 0.000 1.024 240 V CB -1.038 30.734 31.823 -0.085 0.000 0.651 240 V HN 0.590 nan 8.190 nan 0.000 0.449 241 A N -0.756 122.056 122.820 -0.014 0.000 1.978 241 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 241 A C 2.280 179.870 177.584 0.010 0.000 1.170 241 A CA 1.919 53.961 52.037 0.008 0.000 0.636 241 A CB -0.397 18.605 19.000 0.004 0.000 0.810 241 A HN 0.534 nan 8.150 nan 0.000 0.448 242 K N -0.816 119.580 120.400 -0.007 0.000 2.228 242 K HA 0.120 4.440 4.320 -0.000 0.000 0.202 242 K C 1.846 178.457 176.600 0.019 0.000 1.051 242 K CA 0.766 57.053 56.287 -0.001 0.000 0.960 242 K CB -0.109 32.381 32.500 -0.016 0.000 0.743 242 K HN 0.415 nan 8.250 nan 0.000 0.458 243 A N 0.750 123.588 122.820 0.031 0.000 2.238 243 A HA 0.139 4.459 4.320 -0.000 0.000 0.208 243 A C 1.140 178.799 177.584 0.125 0.000 1.177 243 A CA 0.651 52.748 52.037 0.101 0.000 0.804 243 A CB -0.498 18.610 19.000 0.181 0.000 0.823 243 A HN 0.367 nan 8.150 nan 0.000 0.482 244 G N 0.001 108.851 108.800 0.084 0.000 2.395 244 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.300 244 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.300 244 G C 0.038 174.993 174.900 0.092 0.000 0.998 244 G CA 1.055 46.197 45.100 0.071 0.000 1.046 244 G HN 0.613 nan 8.290 nan 0.000 0.513 245 K N 0.051 120.537 120.400 0.143 0.000 2.435 245 K HA 0.548 4.868 4.320 -0.000 0.000 0.251 245 K C -2.344 174.347 176.600 0.152 0.000 0.954 245 K CA -2.032 54.345 56.287 0.150 0.000 0.820 245 K CB 2.917 35.545 32.500 0.214 0.000 1.292 245 K HN 0.048 nan 8.250 nan 0.000 0.436 246 P HA 0.241 nan 4.420 nan 0.000 0.277 246 P C -1.241 176.132 177.300 0.122 0.000 1.271 246 P CA -0.588 62.563 63.100 0.085 0.000 0.795 246 P CB 0.679 32.404 31.700 0.042 0.000 1.101 247 L N 0.225 121.498 121.223 0.083 0.000 2.464 247 L HA 0.554 4.893 4.340 -0.000 0.000 0.266 247 L C -1.702 175.182 176.870 0.023 0.000 0.965 247 L CA -0.883 54.011 54.840 0.090 0.000 0.833 247 L CB 1.779 43.892 42.059 0.089 0.000 1.296 247 L HN 0.136 nan 8.230 nan 0.000 0.405 248 L N 5.678 126.919 121.223 0.029 0.000 2.296 248 L HA 0.625 4.965 4.340 -0.000 0.000 0.286 248 L C -0.936 175.941 176.870 0.013 0.000 1.023 248 L CA -0.272 54.564 54.840 -0.007 0.000 0.812 248 L CB 1.210 43.273 42.059 0.007 0.000 1.223 248 L HN 0.472 nan 8.230 nan 0.000 0.421 249 I N 6.776 127.338 120.570 -0.014 0.000 2.315 249 I HA 0.283 4.453 4.170 -0.000 0.000 0.291 249 I C -0.090 176.046 176.117 0.032 0.000 1.006 249 I CA -0.172 61.135 61.300 0.011 0.000 1.265 249 I CB 1.006 39.008 38.000 0.004 0.000 1.387 249 I HN 0.541 nan 8.210 nan 0.000 0.475 250 I N 5.887 126.485 120.570 0.047 0.000 2.555 250 I HA 0.468 4.638 4.170 -0.000 0.000 0.275 250 I C 0.305 176.436 176.117 0.023 0.000 1.082 250 I CA -0.143 61.192 61.300 0.059 0.000 1.167 250 I CB 1.112 39.157 38.000 0.076 0.000 1.312 250 I HN 0.683 nan 8.210 nan 0.000 0.493 251 A N 3.670 126.507 122.820 0.029 0.000 2.347 251 A HA 0.457 4.777 4.320 -0.000 0.000 0.301 251 A C 1.091 178.687 177.584 0.020 0.000 1.163 251 A CA -0.480 51.568 52.037 0.019 0.000 0.860 251 A CB 1.161 20.177 19.000 0.026 0.000 1.367 251 A HN 0.665 nan 8.150 nan 0.000 0.461 252 E N -0.698 119.513 120.200 0.018 0.000 2.070 252 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 252 E C -0.101 176.522 176.600 0.040 0.000 1.004 252 E CA 1.981 58.396 56.400 0.025 0.000 0.805 252 E CB 0.116 29.832 29.700 0.026 0.000 0.744 252 E HN 0.615 nan 8.360 nan 0.000 0.451 253 D N -2.282 118.144 120.400 0.044 0.000 2.710 253 D HA 0.238 4.878 4.640 -0.000 0.000 0.276 253 D C -1.924 174.412 176.300 0.060 0.000 1.267 253 D CA -0.517 53.516 54.000 0.056 0.000 0.772 253 D CB 1.944 42.776 40.800 0.052 0.000 1.299 253 D HN -0.103 nan 8.370 nan 0.000 0.421 254 V N 1.602 121.562 119.914 0.077 0.000 2.525 254 V HA 0.464 4.584 4.120 -0.000 0.000 0.299 254 V C -0.328 175.818 176.094 0.086 0.000 1.034 254 V CA -0.642 61.708 62.300 0.083 0.000 0.863 254 V CB 1.787 33.673 31.823 0.104 0.000 0.999 254 V HN 0.424 nan 8.190 nan 0.000 0.423 255 E N 2.130 122.371 120.200 0.068 0.000 2.221 255 E HA 0.600 4.950 4.350 -0.000 0.000 0.268 255 E C 1.079 177.712 176.600 0.054 0.000 0.933 255 E CA 0.097 56.532 56.400 0.058 0.000 0.809 255 E CB 2.174 31.900 29.700 0.044 0.000 1.190 255 E HN 0.818 nan 8.360 nan 0.000 0.406 256 G N 2.668 111.497 108.800 0.047 0.000 2.850 256 G HA2 -0.486 3.474 3.960 -0.000 0.000 0.353 256 G HA3 -0.486 3.474 3.960 -0.000 0.000 0.353 256 G C 1.205 176.128 174.900 0.038 0.000 0.983 256 G CA 1.285 46.408 45.100 0.038 0.000 0.832 256 G HN 0.717 nan 8.290 nan 0.000 0.889 257 E N 0.906 121.124 120.200 0.031 0.000 2.054 257 E HA -0.292 4.058 4.350 -0.000 0.000 0.225 257 E C 2.988 179.610 176.600 0.037 0.000 1.048 257 E CA 2.576 58.993 56.400 0.028 0.000 0.899 257 E CB -0.881 28.833 29.700 0.024 0.000 0.801 257 E HN 0.792 nan 8.360 nan 0.000 0.495 258 A N 0.655 123.501 122.820 0.044 0.000 2.024 258 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 258 A C 2.215 179.847 177.584 0.080 0.000 1.164 258 A CA 1.564 53.634 52.037 0.055 0.000 0.643 258 A CB -0.555 18.477 19.000 0.054 0.000 0.806 258 A HN 0.365 nan 8.150 nan 0.000 0.451 259 L N -0.315 120.959 121.223 0.085 0.000 1.988 259 L HA 0.036 4.376 4.340 -0.000 0.000 0.207 259 L C 2.650 179.565 176.870 0.076 0.000 1.071 259 L CA 2.278 57.188 54.840 0.116 0.000 0.744 259 L CB -0.883 41.244 42.059 0.113 0.000 0.893 259 L HN 0.285 nan 8.230 nan 0.000 0.433 260 A N -1.745 121.100 122.820 0.041 0.000 2.125 260 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 260 A C 2.108 179.693 177.584 0.001 0.000 1.156 260 A CA 2.036 54.079 52.037 0.010 0.000 0.671 260 A CB -1.086 17.919 19.000 0.008 0.000 0.794 260 A HN 0.597 nan 8.150 nan 0.000 0.459 261 T N 0.217 114.786 114.554 0.025 0.000 2.735 261 T HA -0.015 4.335 4.350 -0.000 0.000 0.256 261 T C 1.796 176.521 174.700 0.041 0.000 1.042 261 T CA 1.257 63.371 62.100 0.025 0.000 1.147 261 T CB -0.383 68.505 68.868 0.033 0.000 0.865 261 T HN 0.356 nan 8.240 nan 0.000 0.421 262 L N 1.150 122.426 121.223 0.090 0.000 2.127 262 L HA -0.107 4.233 4.340 -0.000 0.000 0.211 262 L C 2.623 179.578 176.870 0.142 0.000 1.089 262 L CA 0.675 55.609 54.840 0.156 0.000 0.757 262 L CB -0.738 41.475 42.059 0.258 0.000 0.899 262 L HN 0.143 nan 8.230 nan 0.000 0.434 263 V N -0.704 119.215 119.914 0.008 0.000 2.237 263 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 263 V C 2.248 178.266 176.094 -0.126 0.000 1.046 263 V CA 1.761 63.957 62.300 -0.173 0.000 1.007 263 V CB -0.345 31.365 31.823 -0.189 0.000 0.638 263 V HN 0.231 nan 8.190 nan 0.000 0.445 264 V N 0.211 120.067 119.914 -0.096 0.000 3.141 264 V HA -0.146 3.974 4.120 -0.000 0.000 0.265 264 V C 1.905 177.969 176.094 -0.050 0.000 1.126 264 V CA 1.594 63.835 62.300 -0.098 0.000 1.141 264 V CB -1.220 30.550 31.823 -0.089 0.000 0.743 264 V HN 0.594 nan 8.190 nan 0.000 0.492 265 N N 0.365 119.060 118.700 -0.009 0.000 2.416 265 N HA -0.100 4.640 4.740 -0.000 0.000 0.177 265 N C 1.878 177.407 175.510 0.030 0.000 1.036 265 N CA 1.374 54.434 53.050 0.017 0.000 0.901 265 N CB 0.248 38.762 38.487 0.044 0.000 0.976 265 N HN 0.655 nan 8.380 nan 0.000 0.444 266 T N -2.402 112.178 114.554 0.043 0.000 3.022 266 T HA 0.132 4.482 4.350 -0.000 0.000 0.250 266 T C 1.639 176.342 174.700 0.005 0.000 1.060 266 T CA -0.147 61.987 62.100 0.057 0.000 1.013 266 T CB 0.161 69.120 68.868 0.151 0.000 0.982 266 T HN -0.092 nan 8.240 nan 0.000 0.508 267 M N 2.242 121.813 119.600 -0.048 0.000 2.067 267 M HA 0.147 4.627 4.480 -0.000 0.000 0.260 267 M C 2.117 178.378 176.300 -0.065 0.000 1.069 267 M CA 1.695 56.939 55.300 -0.093 0.000 1.117 267 M CB -0.176 32.324 32.600 -0.168 0.000 1.334 267 M HN 0.181 nan 8.290 nan 0.000 0.407 268 R N -0.471 119.998 120.500 -0.052 0.000 2.310 268 R HA 0.347 4.687 4.340 -0.000 0.000 0.202 268 R C 0.848 177.136 176.300 -0.020 0.000 0.933 268 R CA 0.546 56.623 56.100 -0.038 0.000 1.054 268 R CB -0.448 29.830 30.300 -0.037 0.000 0.985 268 R HN 0.555 nan 8.270 nan 0.000 0.489 269 G N 1.761 110.556 108.800 -0.009 0.000 2.314 269 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.292 269 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.292 269 G C 0.516 175.421 174.900 0.009 0.000 1.059 269 G CA 0.237 45.340 45.100 0.006 0.000 0.982 269 G HN 0.364 nan 8.290 nan 0.000 0.505 270 I N -1.338 119.239 120.570 0.011 0.000 2.296 270 I HA 0.061 4.231 4.170 -0.000 0.000 0.242 270 I C 0.890 177.019 176.117 0.021 0.000 1.087 270 I CA 1.124 62.431 61.300 0.011 0.000 1.393 270 I CB 0.023 38.027 38.000 0.007 0.000 1.093 270 I HN 0.136 nan 8.210 nan 0.000 0.421 271 V N 0.850 120.783 119.914 0.031 0.000 2.525 271 V HA 0.312 4.432 4.120 -0.000 0.000 0.299 271 V C -0.647 175.482 176.094 0.057 0.000 1.034 271 V CA -1.164 61.161 62.300 0.041 0.000 0.863 271 V CB 1.375 33.221 31.823 0.039 0.000 0.999 271 V HN 0.050 nan 8.190 nan 0.000 0.423 272 K N 2.892 123.326 120.400 0.057 0.000 2.379 272 K HA 0.613 4.933 4.320 -0.000 0.000 0.284 272 K C -0.573 176.069 176.600 0.070 0.000 1.044 272 K CA 0.234 56.563 56.287 0.071 0.000 0.974 272 K CB 1.025 33.558 32.500 0.056 0.000 0.962 272 K HN 0.580 nan 8.250 nan 0.000 0.474 273 V N 1.148 121.118 119.914 0.092 0.000 3.087 273 V HA 0.839 4.959 4.120 -0.000 0.000 0.306 273 V C -1.214 174.808 176.094 -0.120 0.000 1.187 273 V CA -1.058 61.261 62.300 0.031 0.000 0.999 273 V CB 2.209 34.077 31.823 0.074 0.000 1.049 273 V HN 0.797 nan 8.190 nan 0.000 0.431 274 A N 1.840 124.431 122.820 -0.380 0.000 2.574 274 A HA 1.020 5.340 4.320 -0.000 0.000 0.297 274 A C -0.888 176.300 177.584 -0.660 0.000 1.062 274 A CA -0.057 51.366 52.037 -1.023 0.000 0.686 274 A CB 1.949 20.574 19.000 -0.625 0.000 1.285 274 A HN 1.906 nan 8.150 nan 0.000 0.403 275 A N 0.643 123.001 122.820 -0.769 0.000 2.414 275 A HA 0.884 5.204 4.320 -0.000 0.000 0.306 275 A C -0.529 177.017 177.584 -0.063 0.000 1.054 275 A CA -0.113 51.789 52.037 -0.225 0.000 0.724 275 A CB 1.453 20.417 19.000 -0.061 0.000 1.267 275 A HN 2.303 nan 8.150 nan 0.000 0.418 276 V N -0.758 119.175 119.914 0.031 0.000 2.971 276 V HA 0.593 4.713 4.120 -0.000 0.000 0.309 276 V C -0.392 175.777 176.094 0.126 0.000 1.130 276 V CA -1.281 61.081 62.300 0.104 0.000 0.964 276 V CB 1.372 33.270 31.823 0.126 0.000 1.029 276 V HN 0.900 nan 8.190 nan 0.000 0.427 277 K N 1.865 122.339 120.400 0.125 0.000 2.397 277 K HA 0.543 4.863 4.320 -0.000 0.000 0.265 277 K C 0.499 177.157 176.600 0.097 0.000 0.982 277 K CA 0.489 56.835 56.287 0.099 0.000 0.931 277 K CB 0.717 33.271 32.500 0.089 0.000 0.943 277 K HN 1.117 nan 8.250 nan 0.000 0.501 278 A N 3.317 126.145 122.820 0.014 0.000 2.304 278 A HA 0.322 4.642 4.320 -0.000 0.000 0.271 278 A C -2.134 175.367 177.584 -0.139 0.000 1.091 278 A CA -1.371 50.596 52.037 -0.116 0.000 0.812 278 A CB -0.133 18.804 19.000 -0.105 0.000 1.056 278 A HN 0.478 nan 8.150 nan 0.000 0.489 279 P HA 0.371 nan 4.420 nan 0.000 0.271 279 P C 0.622 177.873 177.300 -0.081 0.000 1.218 279 P CA 1.401 64.372 63.100 -0.216 0.000 0.780 279 P CB 0.531 31.965 31.700 -0.442 0.000 0.901 280 G N 2.124 110.946 108.800 0.036 0.000 2.894 280 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.247 280 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.247 280 G C -0.810 174.189 174.900 0.164 0.000 1.442 280 G CA -0.059 45.095 45.100 0.089 0.000 0.897 280 G HN 0.710 nan 8.290 nan 0.000 0.550 281 F N -1.628 118.324 119.950 0.003 0.000 2.599 281 F HA 0.808 5.335 4.527 -0.000 0.000 0.311 281 F C 1.000 176.806 175.800 0.010 0.000 1.076 281 F CA 0.069 58.073 58.000 0.006 0.000 0.937 281 F CB 1.263 40.272 39.000 0.015 0.000 1.282 281 F HN 2.360 nan 8.300 nan 0.000 0.460 282 G N 2.111 110.967 108.800 0.095 0.000 2.543 282 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.286 282 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.286 282 G C 0.379 175.249 174.900 -0.051 0.000 1.153 282 G CA 0.707 45.824 45.100 0.028 0.000 0.968 282 G HN 0.752 nan 8.290 nan 0.000 0.544 283 D N 1.270 121.619 120.400 -0.085 0.000 2.084 283 D HA -0.030 4.610 4.640 -0.000 0.000 0.196 283 D C 2.539 178.781 176.300 -0.097 0.000 0.985 283 D CA 1.692 55.649 54.000 -0.072 0.000 0.826 283 D CB -0.323 40.443 40.800 -0.057 0.000 0.978 283 D HN 0.681 nan 8.370 nan 0.000 0.456 284 R N 0.723 121.130 120.500 -0.155 0.000 2.339 284 R HA 0.139 4.479 4.340 -0.000 0.000 0.199 284 R C 1.984 178.202 176.300 -0.136 0.000 1.018 284 R CA 0.229 56.241 56.100 -0.147 0.000 1.036 284 R CB -0.192 30.006 30.300 -0.170 0.000 0.899 284 R HN 0.099 nan 8.270 nan 0.000 0.473 285 R N 2.258 122.684 120.500 -0.123 0.000 2.062 285 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 285 R C 1.264 177.516 176.300 -0.080 0.000 1.128 285 R CA 1.428 57.474 56.100 -0.090 0.000 0.960 285 R CB 0.042 30.315 30.300 -0.046 0.000 0.855 285 R HN 0.161 nan 8.270 nan 0.000 0.432 286 K N 0.248 120.610 120.400 -0.062 0.000 2.097 286 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 286 K C 2.137 178.705 176.600 -0.054 0.000 1.050 286 K CA 1.255 57.512 56.287 -0.050 0.000 0.938 286 K CB -0.118 32.361 32.500 -0.035 0.000 0.718 286 K HN 0.239 nan 8.250 nan 0.000 0.442 287 A N 1.412 124.196 122.820 -0.059 0.000 1.883 287 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 287 A C 2.151 179.695 177.584 -0.068 0.000 1.186 287 A CA 1.567 53.569 52.037 -0.058 0.000 0.624 287 A CB -0.452 18.512 19.000 -0.060 0.000 0.822 287 A HN 0.172 nan 8.150 nan 0.000 0.444 288 M N -1.071 118.477 119.600 -0.088 0.000 2.175 288 M HA -0.035 4.445 4.480 -0.000 0.000 0.264 288 M C 2.261 178.485 176.300 -0.128 0.000 1.063 288 M CA 1.111 56.346 55.300 -0.108 0.000 1.119 288 M CB -0.387 32.133 32.600 -0.134 0.000 1.377 288 M HN 0.481 nan 8.290 nan 0.000 0.415 289 L N 0.034 121.184 121.223 -0.122 0.000 2.056 289 L HA -0.241 4.099 4.340 -0.000 0.000 0.207 289 L C 2.607 179.434 176.870 -0.072 0.000 1.078 289 L CA 1.350 56.121 54.840 -0.115 0.000 0.749 289 L CB -0.295 41.710 42.059 -0.090 0.000 0.901 289 L HN 0.279 nan 8.230 nan 0.000 0.433 290 Q N 0.287 120.053 119.800 -0.056 0.000 2.181 290 Q HA -0.252 4.088 4.340 -0.000 0.000 0.205 290 Q C 1.595 177.576 176.000 -0.033 0.000 0.980 290 Q CA 1.976 57.757 55.803 -0.037 0.000 0.862 290 Q CB -0.254 28.464 28.738 -0.033 0.000 0.905 290 Q HN 0.449 nan 8.270 nan 0.000 0.429 291 D N -0.662 119.712 120.400 -0.042 0.000 2.144 291 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 291 D C 1.714 178.004 176.300 -0.017 0.000 0.978 291 D CA 1.050 55.032 54.000 -0.030 0.000 0.833 291 D CB -0.063 40.716 40.800 -0.036 0.000 0.961 291 D HN 0.383 nan 8.370 nan 0.000 0.470 292 I N 0.603 121.157 120.570 -0.026 0.000 2.500 292 I HA -0.137 4.033 4.170 -0.000 0.000 0.252 292 I C 2.379 178.502 176.117 0.010 0.000 1.142 292 I CA 0.473 61.775 61.300 0.002 0.000 1.451 292 I CB -0.268 37.728 38.000 -0.008 0.000 1.093 292 I HN -0.086 nan 8.210 nan 0.000 0.430 293 A N 1.527 124.345 122.820 -0.003 0.000 1.849 293 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 293 A C 2.413 180.002 177.584 0.007 0.000 1.202 293 A CA 2.952 54.992 52.037 0.005 0.000 0.629 293 A CB -1.375 17.624 19.000 -0.003 0.000 0.834 293 A HN 0.393 nan 8.150 nan 0.000 0.447 294 T N 0.482 115.037 114.554 0.001 0.000 2.721 294 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 294 T C 1.791 176.494 174.700 0.005 0.000 1.038 294 T CA 1.422 63.523 62.100 0.001 0.000 1.145 294 T CB -0.402 68.464 68.868 -0.004 0.000 0.858 294 T HN 0.295 nan 8.240 nan 0.000 0.459 295 L N 1.582 122.810 121.223 0.008 0.000 2.056 295 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 295 L C 2.395 179.273 176.870 0.012 0.000 1.078 295 L CA 2.313 57.160 54.840 0.012 0.000 0.749 295 L CB -1.124 40.948 42.059 0.022 0.000 0.901 295 L HN 0.505 nan 8.230 nan 0.000 0.433 296 T N -4.357 110.207 114.554 0.017 0.000 3.092 296 T HA 0.249 4.599 4.350 -0.000 0.000 0.258 296 T C 1.195 175.906 174.700 0.019 0.000 1.031 296 T CA 0.330 62.440 62.100 0.017 0.000 0.925 296 T CB 0.057 68.941 68.868 0.027 0.000 1.036 296 T HN 0.486 nan 8.240 nan 0.000 0.544 297 G N 0.739 109.549 108.800 0.017 0.000 2.305 297 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.287 297 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.287 297 G C 0.363 175.281 174.900 0.030 0.000 1.036 297 G CA -0.122 44.990 45.100 0.020 0.000 0.887 297 G HN 1.042 nan 8.290 nan 0.000 0.505 298 G N -1.463 107.355 108.800 0.030 0.000 2.491 298 G HA2 0.714 4.674 3.960 -0.000 0.000 0.327 298 G HA3 0.714 4.674 3.960 -0.000 0.000 0.327 298 G C -0.194 174.720 174.900 0.023 0.000 1.189 298 G CA 0.126 45.248 45.100 0.037 0.000 0.956 298 G HN 0.536 nan 8.290 nan 0.000 0.491 299 T N 0.376 114.943 114.554 0.022 0.000 2.771 299 T HA 0.408 4.758 4.350 -0.000 0.000 0.281 299 T C 0.101 174.806 174.700 0.008 0.000 0.982 299 T CA -0.282 61.825 62.100 0.012 0.000 0.978 299 T CB 1.658 70.532 68.868 0.011 0.000 0.930 299 T HN 0.282 nan 8.240 nan 0.000 0.447 300 V N 4.828 124.743 119.914 0.002 0.000 2.488 300 V HA 0.267 4.387 4.120 -0.000 0.000 0.277 300 V C 0.477 176.570 176.094 -0.002 0.000 1.046 300 V CA -0.466 61.832 62.300 -0.002 0.000 0.986 300 V CB 0.627 32.444 31.823 -0.010 0.000 0.989 300 V HN 0.790 nan 8.190 nan 0.000 0.475 301 I N 5.080 125.649 120.570 -0.001 0.000 2.268 301 I HA 0.190 4.360 4.170 -0.000 0.000 0.290 301 I C 0.319 176.436 176.117 -0.001 0.000 1.125 301 I CA 0.077 61.377 61.300 -0.000 0.000 1.236 301 I CB 0.319 38.319 38.000 0.002 0.000 1.469 301 I HN 0.615 nan 8.210 nan 0.000 0.512 302 S N 3.547 119.246 115.700 -0.003 0.000 2.430 302 S HA 0.248 4.718 4.470 -0.000 0.000 0.289 302 S C 0.896 175.496 174.600 -0.001 0.000 1.143 302 S CA -0.812 57.386 58.200 -0.003 0.000 1.067 302 S CB 1.823 65.020 63.200 -0.005 0.000 0.964 302 S HN 0.530 nan 8.310 nan 0.000 0.485 303 E N 2.035 122.236 120.200 0.001 0.000 2.273 303 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 303 E C 0.733 177.334 176.600 0.002 0.000 1.002 303 E CA 1.119 57.520 56.400 0.002 0.000 0.828 303 E CB -0.001 29.702 29.700 0.005 0.000 0.747 303 E HN 0.796 nan 8.360 nan 0.000 0.491 304 E N -0.415 119.785 120.200 0.001 0.000 2.512 304 E HA -0.030 4.320 4.350 -0.000 0.000 0.195 304 E C 1.072 177.672 176.600 -0.001 0.000 1.083 304 E CA 0.270 56.670 56.400 0.000 0.000 0.873 304 E CB 0.198 29.898 29.700 -0.000 0.000 0.897 304 E HN 0.340 nan 8.360 nan 0.000 0.514 305 I N -1.357 119.212 120.570 -0.001 0.000 4.439 305 I HA 0.267 4.437 4.170 -0.000 0.000 0.331 305 I C 1.007 177.124 176.117 -0.001 0.000 1.345 305 I CA -0.127 61.172 61.300 -0.001 0.000 1.193 305 I CB 1.254 39.253 38.000 -0.002 0.000 1.221 305 I HN 0.105 nan 8.210 nan 0.000 0.429 306 G N 2.347 111.147 108.800 -0.000 0.000 2.167 306 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.194 306 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.194 306 G C -0.081 174.819 174.900 -0.000 0.000 1.027 306 G CA -0.370 44.730 45.100 0.000 0.000 0.717 306 G HN 0.255 nan 8.290 nan 0.000 0.501 307 M N 0.556 120.156 119.600 -0.000 0.000 2.181 307 M HA 0.614 5.094 4.480 -0.000 0.000 0.323 307 M C 0.000 176.300 176.300 -0.000 0.000 1.004 307 M CA -0.685 54.615 55.300 -0.001 0.000 0.941 307 M CB 1.549 34.148 32.600 -0.001 0.000 1.579 307 M HN 0.179 nan 8.290 nan 0.000 0.427 308 E N 2.222 122.422 120.200 -0.001 0.000 2.312 308 E HA 0.333 4.683 4.350 -0.000 0.000 0.259 308 E C 0.329 176.928 176.600 -0.001 0.000 1.122 308 E CA -0.625 55.775 56.400 0.000 0.000 0.922 308 E CB 1.391 31.091 29.700 0.000 0.000 1.109 308 E HN 0.691 nan 8.360 nan 0.000 0.442 309 L N 0.829 122.052 121.223 0.000 0.000 2.492 309 L HA -0.046 4.294 4.340 -0.000 0.000 0.223 309 L C 1.521 178.387 176.870 -0.006 0.000 1.132 309 L CA 0.565 55.404 54.840 -0.002 0.000 0.850 309 L CB -0.304 41.756 42.059 0.002 0.000 0.966 309 L HN 0.497 nan 8.230 nan 0.000 0.454 310 E N 1.087 121.284 120.200 -0.005 0.000 2.204 310 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 310 E C 0.339 176.934 176.600 -0.010 0.000 0.989 310 E CA 0.947 57.342 56.400 -0.007 0.000 0.824 310 E CB 0.004 29.701 29.700 -0.004 0.000 0.756 310 E HN 0.356 nan 8.360 nan 0.000 0.477 311 K N 0.515 120.909 120.400 -0.009 0.000 2.457 311 K HA 0.575 4.895 4.320 -0.000 0.000 0.226 311 K C -1.052 175.541 176.600 -0.012 0.000 1.114 311 K CA -0.220 56.060 56.287 -0.010 0.000 1.089 311 K CB 1.460 33.956 32.500 -0.007 0.000 1.739 311 K HN -0.039 nan 8.250 nan 0.000 0.473 312 A N 1.240 124.049 122.820 -0.019 0.000 2.466 312 A HA 0.456 4.776 4.320 -0.000 0.000 0.284 312 A C -0.224 177.337 177.584 -0.039 0.000 1.049 312 A CA -0.790 51.233 52.037 -0.023 0.000 0.760 312 A CB 0.675 19.663 19.000 -0.019 0.000 1.274 312 A HN 0.408 nan 8.150 nan 0.000 0.412 313 T N 0.169 114.698 114.554 -0.042 0.000 2.923 313 T HA 0.573 4.923 4.350 -0.000 0.000 0.281 313 T C 1.402 176.051 174.700 -0.086 0.000 0.995 313 T CA -0.682 61.379 62.100 -0.066 0.000 0.985 313 T CB 0.503 69.339 68.868 -0.052 0.000 1.114 313 T HN 0.363 nan 8.240 nan 0.000 0.548 314 L N 0.067 121.205 121.223 -0.141 0.000 2.051 314 L HA -0.171 4.168 4.340 -0.000 0.000 0.214 314 L C 2.970 179.803 176.870 -0.060 0.000 1.076 314 L CA 1.893 56.603 54.840 -0.217 0.000 0.758 314 L CB -0.735 41.132 42.059 -0.320 0.000 0.890 314 L HN 0.873 nan 8.230 nan 0.000 0.433 315 E N -0.127 120.061 120.200 -0.020 0.000 2.301 315 E HA -0.284 4.066 4.350 -0.000 0.000 0.202 315 E C 1.406 178.022 176.600 0.027 0.000 1.017 315 E CA 1.475 57.887 56.400 0.020 0.000 0.831 315 E CB 0.081 29.786 29.700 0.008 0.000 0.742 315 E HN 0.520 nan 8.360 nan 0.000 0.491 316 D N -0.542 119.865 120.400 0.012 0.000 2.240 316 D HA -0.032 4.608 4.640 -0.000 0.000 0.206 316 D C 0.145 176.469 176.300 0.040 0.000 0.963 316 D CA 0.142 54.153 54.000 0.018 0.000 0.863 316 D CB 0.126 40.927 40.800 0.002 0.000 0.973 316 D HN 0.089 nan 8.370 nan 0.000 0.501 317 L N 1.416 122.672 121.223 0.055 0.000 2.453 317 L HA 0.237 4.577 4.340 -0.000 0.000 0.272 317 L C 1.480 178.442 176.870 0.154 0.000 1.182 317 L CA 0.064 54.970 54.840 0.110 0.000 0.858 317 L CB 0.383 42.529 42.059 0.145 0.000 1.120 317 L HN -0.134 nan 8.230 nan 0.000 0.474 318 G N 2.281 111.153 108.800 0.119 0.000 2.653 318 G HA2 0.394 4.354 3.960 -0.000 0.000 0.265 318 G HA3 0.394 4.354 3.960 -0.000 0.000 0.265 318 G C -0.746 174.211 174.900 0.095 0.000 1.237 318 G CA -0.252 44.901 45.100 0.090 0.000 0.946 318 G HN 0.596 nan 8.290 nan 0.000 0.522 319 Q N -1.461 118.353 119.800 0.023 0.000 2.295 319 Q HA 0.547 4.887 4.340 -0.000 0.000 0.268 319 Q C -1.122 174.839 176.000 -0.066 0.000 1.010 319 Q CA -0.677 55.085 55.803 -0.068 0.000 0.856 319 Q CB 1.965 30.622 28.738 -0.135 0.000 1.349 319 Q HN 0.924 nan 8.270 nan 0.000 0.412 320 A N 2.640 125.410 122.820 -0.084 0.000 2.515 320 A HA 0.478 4.798 4.320 -0.000 0.000 0.296 320 A C -0.394 177.142 177.584 -0.080 0.000 1.094 320 A CA -0.603 51.397 52.037 -0.062 0.000 0.718 320 A CB 1.731 20.712 19.000 -0.032 0.000 1.307 320 A HN 0.812 nan 8.150 nan 0.000 0.408 321 K N -0.661 119.701 120.400 -0.063 0.000 2.366 321 K HA 0.087 4.407 4.320 -0.000 0.000 0.198 321 K C 0.443 177.010 176.600 -0.056 0.000 1.044 321 K CA 0.965 57.214 56.287 -0.065 0.000 0.973 321 K CB 0.109 32.578 32.500 -0.051 0.000 0.767 321 K HN 0.563 nan 8.250 nan 0.000 0.475 322 R N -0.750 119.721 120.500 -0.049 0.000 2.664 322 R HA 0.220 4.560 4.340 -0.000 0.000 0.266 322 R C -2.001 174.275 176.300 -0.041 0.000 1.046 322 R CA -0.649 55.425 56.100 -0.043 0.000 0.885 322 R CB 2.031 32.309 30.300 -0.037 0.000 1.254 322 R HN -0.078 nan 8.270 nan 0.000 0.465 323 V N -0.736 119.154 119.914 -0.040 0.000 2.932 323 V HA 0.790 4.910 4.120 -0.000 0.000 0.307 323 V C -1.343 174.723 176.094 -0.046 0.000 1.147 323 V CA -0.802 61.469 62.300 -0.047 0.000 0.951 323 V CB 2.159 33.956 31.823 -0.043 0.000 1.031 323 V HN 0.405 nan 8.190 nan 0.000 0.426 324 V N 5.541 125.419 119.914 -0.060 0.000 2.482 324 V HA 0.597 4.717 4.120 -0.000 0.000 0.295 324 V C -0.279 175.781 176.094 -0.056 0.000 1.026 324 V CA -0.342 61.932 62.300 -0.044 0.000 0.856 324 V CB 1.633 33.430 31.823 -0.044 0.000 1.001 324 V HN 0.973 nan 8.190 nan 0.000 0.424 325 I N 1.689 122.253 120.570 -0.009 0.000 2.603 325 I HA 0.744 4.914 4.170 -0.000 0.000 0.300 325 I C -0.782 175.388 176.117 0.089 0.000 1.017 325 I CA -0.554 60.748 61.300 0.003 0.000 1.098 325 I CB 2.374 40.388 38.000 0.023 0.000 1.279 325 I HN 0.396 nan 8.210 nan 0.000 0.437 326 N N 3.069 121.771 118.700 0.004 0.000 2.741 326 N HA 0.309 5.049 4.740 -0.000 0.000 0.310 326 N C 0.643 175.919 175.510 -0.390 0.000 1.295 326 N CA -0.783 52.254 53.050 -0.022 0.000 0.893 326 N CB 1.273 39.718 38.487 -0.070 0.000 1.247 326 N HN 0.660 nan 8.380 nan 0.000 0.596 327 K N -0.033 120.125 120.400 -0.403 0.000 2.097 327 K HA -0.248 4.072 4.320 -0.000 0.000 0.214 327 K C -0.395 175.898 176.600 -0.511 0.000 1.052 327 K CA 2.666 58.584 56.287 -0.615 0.000 0.932 327 K CB -0.010 32.375 32.500 -0.192 0.000 0.716 327 K HN 0.713 nan 8.250 nan 0.000 0.455 328 D N -2.363 117.870 120.400 -0.278 0.000 2.615 328 D HA 0.087 4.727 4.640 -0.000 0.000 0.274 328 D C -0.982 175.248 176.300 -0.117 0.000 1.512 328 D CA -0.424 53.475 54.000 -0.168 0.000 0.803 328 D CB 0.799 41.538 40.800 -0.101 0.000 1.182 328 D HN -0.061 nan 8.370 nan 0.000 0.473 329 T N -0.193 114.277 114.554 -0.141 0.000 2.881 329 T HA 0.631 4.981 4.350 -0.000 0.000 0.290 329 T C -0.642 173.916 174.700 -0.237 0.000 1.000 329 T CA -0.561 61.444 62.100 -0.158 0.000 0.978 329 T CB 2.120 70.916 68.868 -0.119 0.000 0.997 329 T HN -0.145 nan 8.240 nan 0.000 0.443 330 T N 2.448 116.737 114.554 -0.443 0.000 2.779 330 T HA 0.669 5.019 4.350 -0.000 0.000 0.280 330 T C -0.195 174.137 174.700 -0.614 0.000 0.987 330 T CA -0.577 61.168 62.100 -0.591 0.000 0.966 330 T CB 1.405 69.694 68.868 -0.966 0.000 0.933 330 T HN 0.733 nan 8.240 nan 0.000 0.442 331 T N 3.391 117.742 114.554 -0.338 0.000 2.881 331 T HA 0.642 4.992 4.350 -0.000 0.000 0.291 331 T C -0.752 173.869 174.700 -0.133 0.000 0.990 331 T CA -0.699 61.270 62.100 -0.219 0.000 0.976 331 T CB 0.147 68.930 68.868 -0.143 0.000 0.970 331 T HN 0.472 nan 8.240 nan 0.000 0.438 332 I N 5.807 126.327 120.570 -0.084 0.000 2.321 332 I HA 0.459 4.629 4.170 -0.000 0.000 0.291 332 I C -0.323 175.780 176.117 -0.024 0.000 0.998 332 I CA -0.879 60.402 61.300 -0.033 0.000 1.227 332 I CB 1.397 39.411 38.000 0.025 0.000 1.368 332 I HN 0.592 nan 8.210 nan 0.000 0.466 333 I N 6.042 126.594 120.570 -0.030 0.000 2.355 333 I HA 0.270 4.440 4.170 -0.000 0.000 0.288 333 I C -0.577 175.525 176.117 -0.026 0.000 0.999 333 I CA -0.438 60.845 61.300 -0.028 0.000 1.163 333 I CB 1.209 39.189 38.000 -0.034 0.000 1.316 333 I HN 0.561 nan 8.210 nan 0.000 0.454 334 D N 5.153 125.541 120.400 -0.021 0.000 4.044 334 D HA -0.116 4.524 4.640 -0.000 0.000 0.242 334 D C -0.072 176.215 176.300 -0.022 0.000 1.076 334 D CA 0.808 54.795 54.000 -0.021 0.000 1.171 334 D CB -0.147 40.637 40.800 -0.026 0.000 0.866 334 D HN 0.813 nan 8.370 nan 0.000 0.413 335 G N 1.518 110.310 108.800 -0.014 0.000 2.338 335 G HA2 0.454 4.414 3.960 -0.000 0.000 0.298 335 G HA3 0.454 4.414 3.960 -0.000 0.000 0.298 335 G C 1.435 176.327 174.900 -0.014 0.000 1.140 335 G CA -0.319 44.774 45.100 -0.012 0.000 0.860 335 G HN 0.361 nan 8.290 nan 0.000 0.470 336 V N 2.894 122.796 119.914 -0.021 0.000 2.720 336 V HA -0.026 4.094 4.120 -0.000 0.000 0.256 336 V C 2.172 178.262 176.094 -0.007 0.000 1.082 336 V CA 0.924 63.213 62.300 -0.019 0.000 1.101 336 V CB -1.360 30.446 31.823 -0.028 0.000 0.693 336 V HN 0.775 nan 8.190 nan 0.000 0.479 337 G N 1.136 109.935 108.800 -0.001 0.000 2.224 337 G HA2 0.053 4.013 3.960 -0.000 0.000 0.239 337 G HA3 0.053 4.013 3.960 -0.000 0.000 0.239 337 G C -0.027 174.873 174.900 0.001 0.000 1.240 337 G CA -0.122 44.980 45.100 0.003 0.000 0.896 337 G HN 0.552 nan 8.290 nan 0.000 0.496 338 E N 1.504 121.705 120.200 0.001 0.000 2.349 338 E HA 0.082 4.432 4.350 -0.000 0.000 0.262 338 E C 0.787 177.386 176.600 -0.001 0.000 1.088 338 E CA -0.477 55.922 56.400 -0.000 0.000 0.899 338 E CB 1.317 31.017 29.700 0.000 0.000 1.044 338 E HN 0.611 nan 8.360 nan 0.000 0.420 339 E N 1.041 121.239 120.200 -0.002 0.000 2.208 339 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 339 E C 1.828 178.427 176.600 -0.002 0.000 0.988 339 E CA 0.685 57.084 56.400 -0.003 0.000 0.828 339 E CB -0.030 29.668 29.700 -0.003 0.000 0.763 339 E HN 0.574 nan 8.360 nan 0.000 0.478 340 A N 1.944 124.763 122.820 -0.002 0.000 1.917 340 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 340 A C 2.416 179.999 177.584 -0.002 0.000 1.182 340 A CA 2.163 54.199 52.037 -0.002 0.000 0.633 340 A CB -0.520 18.479 19.000 -0.001 0.000 0.819 340 A HN 0.305 nan 8.150 nan 0.000 0.448 341 A N -0.517 122.302 122.820 -0.001 0.000 1.855 341 A HA 0.092 4.412 4.320 -0.000 0.000 0.213 341 A C 2.114 179.696 177.584 -0.003 0.000 1.195 341 A CA 1.236 53.272 52.037 -0.001 0.000 0.610 341 A CB -0.566 18.434 19.000 0.000 0.000 0.837 341 A HN 0.442 nan 8.150 nan 0.000 0.444 342 I N -0.577 119.992 120.570 -0.002 0.000 2.264 342 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 342 I C 2.748 178.862 176.117 -0.004 0.000 1.111 342 I CA 1.314 62.613 61.300 -0.003 0.000 1.382 342 I CB -0.171 37.828 38.000 -0.001 0.000 1.060 342 I HN 0.269 nan 8.210 nan 0.000 0.418 343 Q N 0.787 120.585 119.800 -0.004 0.000 2.083 343 Q HA -0.072 4.268 4.340 -0.000 0.000 0.198 343 Q C 2.276 178.272 176.000 -0.005 0.000 0.969 343 Q CA 1.782 57.583 55.803 -0.005 0.000 0.838 343 Q CB -0.987 27.748 28.738 -0.004 0.000 0.900 343 Q HN 0.506 nan 8.270 nan 0.000 0.436 344 G N 0.206 109.003 108.800 -0.005 0.000 2.469 344 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.219 344 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.219 344 G C 1.641 176.536 174.900 -0.007 0.000 1.150 344 G CA 1.179 46.276 45.100 -0.005 0.000 0.763 344 G HN 0.322 nan 8.290 nan 0.000 0.561 345 R N 0.008 120.504 120.500 -0.007 0.000 2.075 345 R HA 0.014 4.354 4.340 -0.000 0.000 0.232 345 R C 2.634 178.927 176.300 -0.011 0.000 1.126 345 R CA 1.346 57.440 56.100 -0.010 0.000 0.963 345 R CB -0.656 29.639 30.300 -0.010 0.000 0.858 345 R HN 0.225 nan 8.270 nan 0.000 0.435 346 V N 0.795 120.703 119.914 -0.010 0.000 2.407 346 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 346 V C 2.348 178.435 176.094 -0.011 0.000 1.055 346 V CA 1.895 64.188 62.300 -0.011 0.000 1.049 346 V CB -0.948 30.869 31.823 -0.009 0.000 0.662 346 V HN 0.532 nan 8.190 nan 0.000 0.455 347 A N -0.939 121.876 122.820 -0.009 0.000 1.972 347 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 347 A C 2.212 179.790 177.584 -0.010 0.000 1.169 347 A CA 1.780 53.812 52.037 -0.009 0.000 0.635 347 A CB -0.386 18.609 19.000 -0.007 0.000 0.810 347 A HN 0.624 nan 8.150 nan 0.000 0.446 348 Q N -0.462 119.332 119.800 -0.011 0.000 1.990 348 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 348 Q C 2.085 178.076 176.000 -0.015 0.000 0.980 348 Q CA 1.614 57.410 55.803 -0.012 0.000 0.832 348 Q CB -0.303 28.427 28.738 -0.013 0.000 0.897 348 Q HN 0.721 nan 8.270 nan 0.000 0.427 349 I N 0.282 120.842 120.570 -0.017 0.000 2.264 349 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 349 I C 2.480 178.585 176.117 -0.020 0.000 1.111 349 I CA 0.916 62.203 61.300 -0.021 0.000 1.382 349 I CB -0.269 37.717 38.000 -0.024 0.000 1.060 349 I HN 0.156 nan 8.210 nan 0.000 0.418 350 R N 0.968 121.458 120.500 -0.017 0.000 2.115 350 R HA -0.251 4.089 4.340 -0.000 0.000 0.239 350 R C 2.372 178.663 176.300 -0.014 0.000 1.133 350 R CA 1.987 58.078 56.100 -0.015 0.000 0.935 350 R CB -0.368 29.924 30.300 -0.012 0.000 0.853 350 R HN 0.380 nan 8.270 nan 0.000 0.433 351 Q N -0.358 119.435 119.800 -0.013 0.000 2.135 351 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 351 Q C 2.111 178.103 176.000 -0.012 0.000 0.981 351 Q CA 1.656 57.452 55.803 -0.011 0.000 0.856 351 Q CB -0.020 28.712 28.738 -0.010 0.000 0.902 351 Q HN 0.538 nan 8.270 nan 0.000 0.425 352 Q N 0.073 119.864 119.800 -0.015 0.000 2.234 352 Q HA -0.158 4.182 4.340 -0.000 0.000 0.206 352 Q C 2.021 178.010 176.000 -0.017 0.000 0.980 352 Q CA 0.984 56.776 55.803 -0.017 0.000 0.869 352 Q CB -0.217 28.508 28.738 -0.022 0.000 0.912 352 Q HN 0.509 nan 8.270 nan 0.000 0.436 353 I N 1.163 121.722 120.570 -0.019 0.000 2.493 353 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 353 I C 1.969 178.078 176.117 -0.013 0.000 1.160 353 I CA 0.767 62.056 61.300 -0.018 0.000 1.445 353 I CB -0.266 37.722 38.000 -0.020 0.000 1.086 353 I HN 0.061 nan 8.210 nan 0.000 0.433 354 E N 1.537 121.731 120.200 -0.010 0.000 2.072 354 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 354 E C 1.215 177.812 176.600 -0.006 0.000 0.982 354 E CA 1.062 57.458 56.400 -0.007 0.000 0.803 354 E CB -0.501 29.195 29.700 -0.007 0.000 0.755 354 E HN 0.607 nan 8.360 nan 0.000 0.453 355 E N 1.061 121.257 120.200 -0.006 0.000 2.303 355 E HA 0.347 4.697 4.350 -0.000 0.000 0.211 355 E C -0.332 176.266 176.600 -0.004 0.000 1.223 355 E CA -0.166 56.231 56.400 -0.005 0.000 1.344 355 E CB 0.298 29.995 29.700 -0.005 0.000 1.299 355 E HN 0.083 nan 8.360 nan 0.000 0.441 356 A N 0.968 123.785 122.820 -0.004 0.000 2.290 356 A HA 0.329 4.649 4.320 -0.000 0.000 0.310 356 A C 1.015 178.601 177.584 0.004 0.000 1.202 356 A CA -0.611 51.425 52.037 -0.001 0.000 0.837 356 A CB 0.465 19.462 19.000 -0.006 0.000 1.139 356 A HN 0.249 nan 8.150 nan 0.000 0.509 357 T N -1.105 113.455 114.554 0.010 0.000 3.010 357 T HA 0.299 4.649 4.350 -0.000 0.000 0.257 357 T C 0.740 175.452 174.700 0.019 0.000 1.020 357 T CA 0.574 62.681 62.100 0.012 0.000 0.938 357 T CB -0.073 68.802 68.868 0.010 0.000 1.049 357 T HN 0.734 nan 8.240 nan 0.000 0.522 358 S N -0.368 115.349 115.700 0.028 0.000 2.638 358 S HA 0.411 4.881 4.470 -0.000 0.000 0.302 358 S C 0.005 174.634 174.600 0.048 0.000 1.096 358 S CA -0.636 57.590 58.200 0.044 0.000 0.953 358 S CB 1.748 64.986 63.200 0.064 0.000 1.107 358 S HN 0.076 nan 8.310 nan 0.000 0.503 359 D N 0.742 121.180 120.400 0.062 0.000 2.183 359 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 359 D C 1.257 177.600 176.300 0.072 0.000 0.962 359 D CA 1.045 55.078 54.000 0.055 0.000 0.849 359 D CB -0.152 40.681 40.800 0.055 0.000 0.978 359 D HN 0.704 nan 8.370 nan 0.000 0.488 360 Y N 2.074 122.372 120.300 -0.003 0.000 2.274 360 Y HA -0.152 4.398 4.550 0.000 0.000 0.290 360 Y C 1.734 177.626 175.900 -0.014 0.000 1.145 360 Y CA 1.393 59.490 58.100 -0.005 0.000 1.203 360 Y CB 0.096 38.555 38.460 -0.001 0.000 0.984 360 Y HN -0.127 nan 8.280 nan 0.000 0.533 361 D N -0.476 119.970 120.400 0.075 0.000 2.312 361 D HA -0.109 4.531 4.640 -0.000 0.000 0.211 361 D C 1.974 178.234 176.300 -0.066 0.000 0.964 361 D CA 0.654 54.651 54.000 -0.004 0.000 0.877 361 D CB 0.016 40.839 40.800 0.039 0.000 0.924 361 D HN 0.421 nan 8.370 nan 0.000 0.515 362 R N 0.896 121.362 120.500 -0.057 0.000 2.054 362 R HA -0.076 4.264 4.340 -0.000 0.000 0.223 362 R C 2.331 178.572 176.300 -0.098 0.000 1.176 362 R CA 0.909 56.974 56.100 -0.059 0.000 0.934 362 R CB 0.078 30.360 30.300 -0.029 0.000 0.828 362 R HN 0.087 nan 8.270 nan 0.000 0.441 363 E N 0.973 121.102 120.200 -0.117 0.000 2.114 363 E HA -0.266 4.084 4.350 -0.000 0.000 0.199 363 E C 1.663 178.159 176.600 -0.174 0.000 1.008 363 E CA 1.119 57.440 56.400 -0.131 0.000 0.810 363 E CB -0.234 29.388 29.700 -0.129 0.000 0.739 363 E HN 0.164 nan 8.360 nan 0.000 0.456 364 K N 0.705 120.939 120.400 -0.276 0.000 2.209 364 K HA 0.001 4.321 4.320 -0.000 0.000 0.204 364 K C 2.275 178.780 176.600 -0.158 0.000 1.048 364 K CA 0.640 56.764 56.287 -0.272 0.000 0.940 364 K CB -0.220 32.044 32.500 -0.393 0.000 0.729 364 K HN 0.292 nan 8.250 nan 0.000 0.451 365 L N -0.102 121.047 121.223 -0.123 0.000 2.307 365 L HA -0.042 4.298 4.340 -0.000 0.000 0.211 365 L C 2.122 178.954 176.870 -0.064 0.000 1.099 365 L CA 0.645 55.436 54.840 -0.081 0.000 0.816 365 L CB -0.157 41.864 42.059 -0.063 0.000 0.952 365 L HN 0.105 nan 8.230 nan 0.000 0.455 366 Q N -0.074 119.686 119.800 -0.065 0.000 2.331 366 Q HA -0.117 4.223 4.340 -0.000 0.000 0.203 366 Q C 1.800 177.774 176.000 -0.043 0.000 0.944 366 Q CA 0.740 56.515 55.803 -0.047 0.000 0.892 366 Q CB 0.244 28.957 28.738 -0.041 0.000 0.983 366 Q HN 0.425 nan 8.270 nan 0.000 0.482 367 E N 0.019 120.185 120.200 -0.057 0.000 2.274 367 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 367 E C 1.786 178.366 176.600 -0.034 0.000 0.996 367 E CA 0.401 56.776 56.400 -0.043 0.000 0.840 367 E CB 0.216 29.883 29.700 -0.054 0.000 0.772 367 E HN 0.172 nan 8.360 nan 0.000 0.491 368 R N 0.263 120.737 120.500 -0.044 0.000 2.066 368 R HA -0.067 4.273 4.340 -0.000 0.000 0.224 368 R C 2.639 178.923 176.300 -0.025 0.000 1.122 368 R CA 1.206 57.284 56.100 -0.036 0.000 0.974 368 R CB -0.288 29.982 30.300 -0.049 0.000 0.871 368 R HN 0.185 nan 8.270 nan 0.000 0.435 369 V N -0.860 119.038 119.914 -0.027 0.000 2.392 369 V HA -0.183 3.937 4.120 -0.000 0.000 0.249 369 V C 2.173 178.259 176.094 -0.014 0.000 1.059 369 V CA 1.908 64.196 62.300 -0.020 0.000 1.051 369 V CB -0.953 30.858 31.823 -0.020 0.000 0.658 369 V HN 0.258 nan 8.190 nan 0.000 0.455 370 A N 0.770 123.582 122.820 -0.014 0.000 1.828 370 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 370 A C 2.295 179.879 177.584 -0.001 0.000 1.203 370 A CA 2.260 54.292 52.037 -0.008 0.000 0.614 370 A CB -0.875 18.120 19.000 -0.009 0.000 0.844 370 A HN 0.550 nan 8.150 nan 0.000 0.445 371 K N -1.202 119.200 120.400 0.005 0.000 2.107 371 K HA -0.211 4.109 4.320 -0.000 0.000 0.211 371 K C 1.860 178.470 176.600 0.016 0.000 1.049 371 K CA 1.811 58.109 56.287 0.019 0.000 0.927 371 K CB -0.325 32.196 32.500 0.034 0.000 0.714 371 K HN 0.385 nan 8.250 nan 0.000 0.452 372 L N -0.401 120.827 121.223 0.008 0.000 2.084 372 L HA 0.059 4.399 4.340 -0.000 0.000 0.202 372 L C 1.966 178.837 176.870 0.002 0.000 1.074 372 L CA 1.736 56.580 54.840 0.006 0.000 0.757 372 L CB -0.530 41.528 42.059 -0.001 0.000 0.918 372 L HN 0.099 nan 8.230 nan 0.000 0.444 373 A N -1.145 121.674 122.820 -0.002 0.000 2.123 373 A HA 0.174 4.494 4.320 -0.000 0.000 0.214 373 A C 2.154 179.737 177.584 -0.003 0.000 1.152 373 A CA 0.860 52.895 52.037 -0.003 0.000 0.728 373 A CB -1.074 17.923 19.000 -0.005 0.000 0.814 373 A HN 0.489 nan 8.150 nan 0.000 0.464 374 G N -0.497 108.302 108.800 -0.002 0.000 2.394 374 G HA2 0.373 4.333 3.960 -0.000 0.000 0.215 374 G HA3 0.373 4.333 3.960 -0.000 0.000 0.215 374 G C 1.083 175.981 174.900 -0.002 0.000 1.165 374 G CA 0.703 45.802 45.100 -0.002 0.000 0.784 374 G HN 1.695 nan 8.290 nan 0.000 0.535 375 G N -1.959 106.841 108.800 0.000 0.000 2.757 375 G HA2 0.103 4.062 3.960 -0.000 0.000 0.638 375 G HA3 0.103 4.062 3.960 -0.000 0.000 0.638 375 G C -0.868 174.029 174.900 -0.005 0.000 1.344 375 G CA -0.410 44.689 45.100 -0.002 0.000 0.855 375 G HN 0.983 nan 8.290 nan 0.000 0.537 376 V N 0.298 120.206 119.914 -0.009 0.000 2.531 376 V HA 0.756 4.876 4.120 -0.000 0.000 0.301 376 V C 0.686 176.770 176.094 -0.017 0.000 1.034 376 V CA -0.089 62.202 62.300 -0.015 0.000 0.865 376 V CB 1.495 33.307 31.823 -0.018 0.000 0.995 376 V HN 2.116 nan 8.190 nan 0.000 0.424 377 A N 4.532 127.340 122.820 -0.019 0.000 2.252 377 A HA 0.719 5.039 4.320 -0.000 0.000 0.309 377 A C -0.197 177.373 177.584 -0.023 0.000 1.285 377 A CA -0.435 51.591 52.037 -0.019 0.000 0.900 377 A CB 0.896 19.886 19.000 -0.017 0.000 1.157 377 A HN 1.409 nan 8.150 nan 0.000 0.536 378 V N 2.517 122.417 119.914 -0.022 0.000 2.394 378 V HA 0.677 4.797 4.120 -0.000 0.000 0.282 378 V C -0.281 175.800 176.094 -0.022 0.000 1.031 378 V CA -0.597 61.688 62.300 -0.024 0.000 0.881 378 V CB 0.806 32.615 31.823 -0.024 0.000 0.982 378 V HN 0.619 nan 8.190 nan 0.000 0.451 379 I N 5.638 126.193 120.570 -0.024 0.000 2.321 379 I HA 0.434 4.604 4.170 -0.000 0.000 0.291 379 I C 0.275 176.380 176.117 -0.021 0.000 0.998 379 I CA -0.503 60.784 61.300 -0.021 0.000 1.227 379 I CB 1.446 39.432 38.000 -0.023 0.000 1.368 379 I HN 0.656 nan 8.210 nan 0.000 0.466 380 K N 6.045 126.435 120.400 -0.017 0.000 2.234 380 K HA 0.426 4.746 4.320 -0.000 0.000 0.277 380 K C -0.847 175.745 176.600 -0.014 0.000 1.038 380 K CA -0.633 55.644 56.287 -0.016 0.000 0.888 380 K CB 1.982 34.473 32.500 -0.015 0.000 1.091 380 K HN 0.306 nan 8.250 nan 0.000 0.467 381 V N 3.024 122.930 119.914 -0.014 0.000 2.389 381 V HA 0.212 4.332 4.120 -0.000 0.000 0.264 381 V C 0.723 176.811 176.094 -0.010 0.000 1.049 381 V CA -0.529 61.764 62.300 -0.012 0.000 0.932 381 V CB 0.962 32.779 31.823 -0.012 0.000 1.011 381 V HN 0.908 nan 8.190 nan 0.000 0.475 382 G N 3.405 112.200 108.800 -0.009 0.000 2.412 382 G HA2 0.816 4.776 3.960 -0.000 0.000 0.318 382 G HA3 0.816 4.776 3.960 -0.000 0.000 0.318 382 G C -0.422 174.474 174.900 -0.007 0.000 1.146 382 G CA 0.208 45.304 45.100 -0.008 0.000 0.882 382 G HN 1.190 nan 8.290 nan 0.000 0.501 383 A N -0.413 122.403 122.820 -0.006 0.000 2.511 383 A HA 0.795 5.115 4.320 -0.000 0.000 0.293 383 A C 0.722 178.304 177.584 -0.005 0.000 1.098 383 A CA 0.432 52.466 52.037 -0.005 0.000 0.643 383 A CB 0.336 19.333 19.000 -0.005 0.000 1.302 383 A HN 1.773 nan 8.150 nan 0.000 0.446 384 A N -0.582 122.235 122.820 -0.004 0.000 1.861 384 A HA 0.457 4.777 4.320 -0.000 0.000 0.212 384 A C 1.373 178.954 177.584 -0.004 0.000 1.199 384 A CA 2.281 54.315 52.037 -0.004 0.000 0.613 384 A CB -0.633 18.364 19.000 -0.003 0.000 0.846 384 A HN 1.873 nan 8.150 nan 0.000 0.446 385 T N -2.269 112.283 114.554 -0.004 0.000 2.940 385 T HA 0.372 4.722 4.350 -0.000 0.000 0.288 385 T C 0.770 175.468 174.700 -0.003 0.000 1.033 385 T CA 0.038 62.136 62.100 -0.003 0.000 1.033 385 T CB 1.634 70.500 68.868 -0.003 0.000 1.079 385 T HN 0.388 nan 8.240 nan 0.000 0.496 386 E N 1.210 121.408 120.200 -0.003 0.000 2.070 386 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 386 E C 1.948 178.546 176.600 -0.003 0.000 1.004 386 E CA 1.981 58.379 56.400 -0.003 0.000 0.805 386 E CB -0.184 29.514 29.700 -0.003 0.000 0.744 386 E HN 0.575 nan 8.360 nan 0.000 0.451 387 V N 0.824 120.737 119.914 -0.002 0.000 2.220 387 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 387 V C 2.280 178.373 176.094 -0.002 0.000 1.049 387 V CA 2.313 64.612 62.300 -0.002 0.000 1.003 387 V CB -0.845 30.977 31.823 -0.001 0.000 0.634 387 V HN 0.329 nan 8.190 nan 0.000 0.444 388 E N -0.586 119.612 120.200 -0.002 0.000 2.113 388 E HA -0.334 4.016 4.350 -0.000 0.000 0.210 388 E C 2.238 178.836 176.600 -0.003 0.000 1.040 388 E CA 2.378 58.776 56.400 -0.003 0.000 0.847 388 E CB -0.230 29.468 29.700 -0.003 0.000 0.755 388 E HN 0.467 nan 8.360 nan 0.000 0.459 389 M N 0.384 119.982 119.600 -0.004 0.000 2.065 389 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 389 M C 1.870 178.167 176.300 -0.004 0.000 1.071 389 M CA 1.707 57.004 55.300 -0.005 0.000 1.109 389 M CB -0.187 32.410 32.600 -0.005 0.000 1.313 389 M HN -0.089 nan 8.290 nan 0.000 0.408 390 K N -0.383 120.015 120.400 -0.004 0.000 2.525 390 K HA -0.097 4.223 4.320 -0.000 0.000 0.192 390 K C 1.738 178.337 176.600 -0.001 0.000 1.029 390 K CA 0.269 56.554 56.287 -0.003 0.000 1.029 390 K CB 0.125 32.624 32.500 -0.002 0.000 0.814 390 K HN 0.325 nan 8.250 nan 0.000 0.503 391 E N 1.355 121.554 120.200 -0.001 0.000 2.057 391 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 391 E C 1.681 178.281 176.600 -0.001 0.000 0.969 391 E CA 0.922 57.322 56.400 -0.000 0.000 0.812 391 E CB 0.242 29.942 29.700 -0.001 0.000 0.777 391 E HN 0.081 nan 8.360 nan 0.000 0.455 392 K N 1.153 121.551 120.400 -0.002 0.000 2.044 392 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 392 K C 2.314 178.912 176.600 -0.004 0.000 1.049 392 K CA 1.643 57.928 56.287 -0.003 0.000 0.927 392 K CB -0.124 32.374 32.500 -0.004 0.000 0.713 392 K HN -0.080 nan 8.250 nan 0.000 0.443 393 K N 0.068 120.465 120.400 -0.006 0.000 2.089 393 K HA -0.224 4.096 4.320 -0.000 0.000 0.210 393 K C 1.945 178.541 176.600 -0.007 0.000 1.048 393 K CA 1.540 57.822 56.287 -0.008 0.000 0.926 393 K CB -0.203 32.291 32.500 -0.009 0.000 0.714 393 K HN 0.265 nan 8.250 nan 0.000 0.448 394 A N 1.170 123.990 122.820 -0.001 0.000 1.877 394 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 394 A C 2.108 179.697 177.584 0.008 0.000 1.186 394 A CA 1.621 53.661 52.037 0.005 0.000 0.620 394 A CB -0.438 18.566 19.000 0.007 0.000 0.822 394 A HN 0.340 nan 8.150 nan 0.000 0.443 395 R N -0.815 119.689 120.500 0.006 0.000 2.148 395 R HA -0.007 4.333 4.340 -0.000 0.000 0.223 395 R C 1.941 178.245 176.300 0.007 0.000 1.088 395 R CA 1.068 57.174 56.100 0.009 0.000 0.985 395 R CB -0.352 29.951 30.300 0.005 0.000 0.880 395 R HN 0.394 nan 8.270 nan 0.000 0.451 396 V N 1.066 120.979 119.914 -0.002 0.000 2.343 396 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 396 V C 1.820 177.903 176.094 -0.018 0.000 1.051 396 V CA 1.879 64.173 62.300 -0.009 0.000 1.036 396 V CB -0.351 31.463 31.823 -0.015 0.000 0.654 396 V HN 0.339 nan 8.190 nan 0.000 0.451 397 E N -0.375 119.811 120.200 -0.022 0.000 2.150 397 E HA -0.184 4.165 4.350 -0.000 0.000 0.193 397 E C 1.954 178.553 176.600 -0.002 0.000 0.985 397 E CA 1.056 57.426 56.400 -0.049 0.000 0.814 397 E CB -0.115 29.554 29.700 -0.053 0.000 0.752 397 E HN 0.587 nan 8.360 nan 0.000 0.466 398 D N 0.422 120.850 120.400 0.046 0.000 2.097 398 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 398 D C 1.914 178.269 176.300 0.091 0.000 0.989 398 D CA 1.333 55.389 54.000 0.094 0.000 0.827 398 D CB -0.145 40.688 40.800 0.056 0.000 0.966 398 D HN 0.160 nan 8.370 nan 0.000 0.456 399 A N 1.004 123.851 122.820 0.044 0.000 1.855 399 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 399 A C 2.330 179.937 177.584 0.038 0.000 1.191 399 A CA 1.033 53.091 52.037 0.035 0.000 0.613 399 A CB -1.030 17.979 19.000 0.016 0.000 0.829 399 A HN 0.238 nan 8.150 nan 0.000 0.442 400 L N -1.011 120.216 121.223 0.008 0.000 2.034 400 L HA -0.323 4.016 4.340 -0.000 0.000 0.217 400 L C 2.609 179.491 176.870 0.020 0.000 1.077 400 L CA 2.422 57.252 54.840 -0.017 0.000 0.769 400 L CB -0.474 41.541 42.059 -0.075 0.000 0.890 400 L HN 0.532 nan 8.230 nan 0.000 0.435 401 H N -0.549 118.519 119.070 -0.003 0.000 2.267 401 H HA -0.132 4.424 4.556 -0.000 0.000 0.297 401 H C 2.146 177.475 175.328 0.001 0.000 1.080 401 H CA 1.651 57.697 56.048 -0.002 0.000 1.278 401 H CB -0.517 29.244 29.762 -0.003 0.000 1.365 401 H HN 0.537 nan 8.280 nan 0.000 0.489 402 A N -0.226 122.678 122.820 0.139 0.000 2.067 402 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 402 A C 2.495 180.111 177.584 0.052 0.000 1.158 402 A CA 1.866 53.944 52.037 0.067 0.000 0.661 402 A CB -0.479 18.547 19.000 0.043 0.000 0.801 402 A HN 0.476 nan 8.150 nan 0.000 0.452 403 T N -1.031 113.555 114.554 0.052 0.000 2.852 403 T HA -0.018 4.332 4.350 -0.000 0.000 0.256 403 T C 2.040 176.760 174.700 0.034 0.000 1.038 403 T CA 0.909 63.029 62.100 0.033 0.000 1.141 403 T CB -0.171 68.710 68.868 0.022 0.000 0.869 403 T HN 0.454 nan 8.240 nan 0.000 0.439 404 R N 0.942 121.468 120.500 0.044 0.000 2.117 404 R HA -0.077 4.263 4.340 -0.000 0.000 0.243 404 R C 2.619 178.947 176.300 0.045 0.000 1.143 404 R CA 1.445 57.571 56.100 0.043 0.000 0.968 404 R CB -0.365 29.970 30.300 0.058 0.000 0.863 404 R HN 0.389 nan 8.270 nan 0.000 0.444 405 A N 0.384 123.236 122.820 0.054 0.000 1.898 405 A HA 0.019 4.339 4.320 -0.000 0.000 0.214 405 A C 2.268 179.870 177.584 0.030 0.000 1.183 405 A CA 1.246 53.308 52.037 0.042 0.000 0.622 405 A CB -0.446 18.578 19.000 0.039 0.000 0.824 405 A HN 0.389 nan 8.150 nan 0.000 0.444 406 A N -0.312 122.525 122.820 0.028 0.000 1.902 406 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 406 A C 2.211 179.807 177.584 0.019 0.000 1.181 406 A CA 1.730 53.780 52.037 0.022 0.000 0.623 406 A CB -0.961 18.051 19.000 0.020 0.000 0.818 406 A HN 0.337 nan 8.150 nan 0.000 0.443 407 V N 0.236 120.162 119.914 0.020 0.000 2.219 407 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 407 V C 2.418 178.522 176.094 0.017 0.000 1.053 407 V CA 2.499 64.809 62.300 0.017 0.000 1.009 407 V CB -1.095 30.737 31.823 0.016 0.000 0.636 407 V HN 0.674 nan 8.190 nan 0.000 0.445 408 E N -0.120 120.092 120.200 0.020 0.000 2.065 408 E HA -0.269 4.081 4.350 -0.000 0.000 0.201 408 E C 1.797 178.407 176.600 0.017 0.000 1.016 408 E CA 1.974 58.386 56.400 0.019 0.000 0.818 408 E CB -0.128 29.586 29.700 0.023 0.000 0.749 408 E HN 0.727 nan 8.360 nan 0.000 0.453 409 E N -0.981 119.229 120.200 0.018 0.000 2.641 409 E HA 0.260 4.610 4.350 -0.000 0.000 0.224 409 E C 0.363 176.972 176.600 0.015 0.000 0.951 409 E CA 0.177 56.587 56.400 0.016 0.000 1.102 409 E CB 1.661 31.370 29.700 0.016 0.000 1.091 409 E HN 0.238 nan 8.360 nan 0.000 0.507 410 G N 1.477 110.286 108.800 0.016 0.000 2.685 410 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.387 410 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.387 410 G C -0.290 174.620 174.900 0.016 0.000 1.324 410 G CA -0.487 44.622 45.100 0.015 0.000 0.878 410 G HN 0.449 nan 8.290 nan 0.000 0.527 411 V N -2.341 117.582 119.914 0.016 0.000 3.046 411 V HA 1.005 5.125 4.120 -0.000 0.000 0.316 411 V C 0.734 176.839 176.094 0.017 0.000 1.104 411 V CA 0.324 62.634 62.300 0.016 0.000 1.006 411 V CB 1.270 33.102 31.823 0.015 0.000 1.058 411 V HN 2.587 nan 8.190 nan 0.000 0.440 412 V N -1.158 118.766 119.914 0.017 0.000 3.181 412 V HA 0.987 5.107 4.120 -0.000 0.000 0.307 412 V C 0.303 176.409 176.094 0.020 0.000 1.310 412 V CA -0.733 61.579 62.300 0.021 0.000 1.067 412 V CB 1.214 33.050 31.823 0.022 0.000 1.081 412 V HN 2.263 nan 8.190 nan 0.000 0.453 413 A N 0.312 123.147 122.820 0.025 0.000 2.545 413 A HA 0.524 4.844 4.320 -0.000 0.000 0.253 413 A C 1.265 178.859 177.584 0.017 0.000 1.074 413 A CA 0.541 52.593 52.037 0.024 0.000 0.760 413 A CB -0.208 18.814 19.000 0.035 0.000 1.005 413 A HN 2.123 nan 8.150 nan 0.000 0.506 414 G N 1.773 110.578 108.800 0.008 0.000 3.042 414 G HA2 0.295 4.255 3.960 -0.000 0.000 0.212 414 G HA3 0.295 4.255 3.960 -0.000 0.000 0.212 414 G C 0.824 175.725 174.900 0.001 0.000 1.166 414 G CA 0.693 45.794 45.100 0.003 0.000 0.767 414 G HN 1.120 nan 8.290 nan 0.000 0.546 415 G N -0.522 108.281 108.800 0.005 0.000 3.518 415 G HA2 0.420 4.380 3.960 -0.000 0.000 0.273 415 G HA3 0.420 4.380 3.960 -0.000 0.000 0.273 415 G C 1.213 176.129 174.900 0.027 0.000 1.199 415 G CA 0.262 45.366 45.100 0.007 0.000 0.899 415 G HN 1.071 nan 8.290 nan 0.000 0.533 416 G N -0.549 108.265 108.800 0.024 0.000 2.383 416 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.229 416 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.229 416 G C 1.533 176.453 174.900 0.034 0.000 1.089 416 G CA 0.640 45.758 45.100 0.030 0.000 0.640 416 G HN 0.703 nan 8.290 nan 0.000 0.510 417 V N 1.689 121.627 119.914 0.040 0.000 2.280 417 V HA -0.220 3.900 4.120 -0.000 0.000 0.258 417 V C 3.396 179.516 176.094 0.043 0.000 1.081 417 V CA 3.706 66.033 62.300 0.046 0.000 1.070 417 V CB -1.612 30.237 31.823 0.043 0.000 0.666 417 V HN 1.478 nan 8.190 nan 0.000 0.450 418 A N -0.202 122.639 122.820 0.036 0.000 1.884 418 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 418 A C 2.222 179.825 177.584 0.031 0.000 1.197 418 A CA 2.282 54.339 52.037 0.033 0.000 0.637 418 A CB -0.582 18.434 19.000 0.027 0.000 0.827 418 A HN 0.445 nan 8.150 nan 0.000 0.450 419 L N -0.595 120.645 121.223 0.029 0.000 2.017 419 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 419 L C 2.588 179.475 176.870 0.028 0.000 1.073 419 L CA 1.400 56.255 54.840 0.026 0.000 0.745 419 L CB -1.090 40.983 42.059 0.024 0.000 0.894 419 L HN 0.342 nan 8.230 nan 0.000 0.432 420 I N 0.131 120.720 120.570 0.032 0.000 2.236 420 I HA -0.341 3.829 4.170 -0.000 0.000 0.249 420 I C 2.760 178.899 176.117 0.036 0.000 1.102 420 I CA 1.447 62.768 61.300 0.034 0.000 1.365 420 I CB -0.572 37.453 38.000 0.042 0.000 1.051 420 I HN 0.330 nan 8.210 nan 0.000 0.420 421 R N 0.835 121.359 120.500 0.040 0.000 2.055 421 R HA -0.112 4.228 4.340 -0.000 0.000 0.226 421 R C 2.361 178.679 176.300 0.031 0.000 1.135 421 R CA 1.998 58.123 56.100 0.042 0.000 0.959 421 R CB -0.569 29.760 30.300 0.049 0.000 0.854 421 R HN 0.271 nan 8.270 nan 0.000 0.431 422 V N -0.768 119.162 119.914 0.027 0.000 2.469 422 V HA -0.091 4.029 4.120 -0.000 0.000 0.251 422 V C 2.136 178.241 176.094 0.017 0.000 1.064 422 V CA 1.822 64.135 62.300 0.020 0.000 1.066 422 V CB -1.151 30.683 31.823 0.018 0.000 0.667 422 V HN 0.393 nan 8.190 nan 0.000 0.461 423 A N 1.535 124.366 122.820 0.019 0.000 1.877 423 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 423 A C 2.621 180.214 177.584 0.015 0.000 1.186 423 A CA 2.542 54.588 52.037 0.016 0.000 0.620 423 A CB -1.152 17.858 19.000 0.016 0.000 0.822 423 A HN 1.039 nan 8.150 nan 0.000 0.443 424 S N -0.338 115.373 115.700 0.018 0.000 2.474 424 S HA -0.106 4.364 4.470 -0.000 0.000 0.235 424 S C 1.719 176.327 174.600 0.013 0.000 0.997 424 S CA 1.287 59.496 58.200 0.016 0.000 0.949 424 S CB -0.290 62.922 63.200 0.020 0.000 0.766 424 S HN 0.594 nan 8.310 nan 0.000 0.517 425 K N 0.862 121.271 120.400 0.014 0.000 2.021 425 K HA 0.081 4.401 4.320 -0.000 0.000 0.205 425 K C 0.663 177.268 176.600 0.008 0.000 1.047 425 K CA 1.079 57.373 56.287 0.011 0.000 0.943 425 K CB -0.447 32.061 32.500 0.013 0.000 0.725 425 K HN 0.465 nan 8.250 nan 0.000 0.439 426 L N -0.183 121.045 121.223 0.008 0.000 2.990 426 L HA 0.349 4.689 4.340 -0.000 0.000 0.231 426 L C 0.713 177.587 176.870 0.006 0.000 1.341 426 L CA -0.099 54.745 54.840 0.006 0.000 1.208 426 L CB 0.338 42.401 42.059 0.006 0.000 1.571 426 L HN -0.099 nan 8.230 nan 0.000 0.453 427 A N -1.293 121.530 122.820 0.006 0.000 2.411 427 A HA 0.206 4.526 4.320 -0.000 0.000 0.251 427 A C 1.041 178.627 177.584 0.003 0.000 1.317 427 A CA 0.022 52.062 52.037 0.005 0.000 0.904 427 A CB -0.292 18.711 19.000 0.005 0.000 0.993 427 A HN 0.403 nan 8.150 nan 0.000 0.504 428 D N -0.986 119.416 120.400 0.003 0.000 2.423 428 D HA 0.108 4.748 4.640 -0.000 0.000 0.208 428 D C 0.404 176.705 176.300 0.002 0.000 1.068 428 D CA -0.172 53.829 54.000 0.002 0.000 0.860 428 D CB 0.060 40.861 40.800 0.001 0.000 0.992 428 D HN 0.309 nan 8.370 nan 0.000 0.504 429 L N 2.101 123.325 121.223 0.002 0.000 2.593 429 L HA -0.040 4.300 4.340 -0.000 0.000 0.287 429 L C 0.485 177.356 176.870 0.001 0.000 1.243 429 L CA 0.910 55.751 54.840 0.002 0.000 0.890 429 L CB 0.028 42.088 42.059 0.002 0.000 1.134 429 L HN -0.090 nan 8.230 nan 0.000 0.502 430 R N 2.890 123.390 120.500 0.001 0.000 2.912 430 R HA 0.792 5.132 4.340 -0.000 0.000 0.262 430 R C -0.169 176.131 176.300 0.000 0.000 1.057 430 R CA -0.390 55.711 56.100 0.001 0.000 0.981 430 R CB 1.429 31.729 30.300 0.001 0.000 1.201 430 R HN 0.779 nan 8.270 nan 0.000 0.484 431 G N -0.158 108.642 108.800 0.001 0.000 3.251 431 G HA2 0.333 4.293 3.960 -0.000 0.000 0.248 431 G HA3 0.333 4.293 3.960 -0.000 0.000 0.248 431 G C -0.340 174.560 174.900 0.000 0.000 1.320 431 G CA -0.175 44.925 45.100 0.000 0.000 0.982 431 G HN 0.349 nan 8.290 nan 0.000 0.575 432 Q N -0.458 119.342 119.800 0.000 0.000 2.388 432 Q HA 0.171 4.511 4.340 -0.000 0.000 0.204 432 Q C 1.124 177.125 176.000 0.001 0.000 0.946 432 Q CA 0.023 55.826 55.803 0.000 0.000 0.880 432 Q CB -0.154 28.584 28.738 0.000 0.000 0.997 432 Q HN 0.536 nan 8.270 nan 0.000 0.552 433 N N 2.192 120.892 118.700 0.001 0.000 2.454 433 N HA -0.089 4.651 4.740 -0.000 0.000 0.260 433 N C 0.750 176.260 175.510 0.001 0.000 1.218 433 N CA -0.017 53.033 53.050 0.001 0.000 0.904 433 N CB 0.556 39.044 38.487 0.001 0.000 1.065 433 N HN 0.355 nan 8.380 nan 0.000 0.462 434 E N 2.407 122.608 120.200 0.001 0.000 2.393 434 E HA -0.263 4.087 4.350 -0.000 0.000 0.201 434 E C -0.002 176.599 176.600 0.001 0.000 1.025 434 E CA 1.205 57.605 56.400 0.001 0.000 0.856 434 E CB 0.122 29.822 29.700 0.001 0.000 0.771 434 E HN 0.569 nan 8.360 nan 0.000 0.526 435 D N 0.955 121.356 120.400 0.001 0.000 2.234 435 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 435 D C 1.805 178.107 176.300 0.002 0.000 0.962 435 D CA 0.772 54.773 54.000 0.002 0.000 0.855 435 D CB 0.011 40.812 40.800 0.002 0.000 0.951 435 D HN 0.391 nan 8.370 nan 0.000 0.500 436 Q N 0.047 119.848 119.800 0.002 0.000 2.187 436 Q HA -0.043 4.297 4.340 -0.000 0.000 0.199 436 Q C 1.668 177.669 176.000 0.002 0.000 0.957 436 Q CA 0.459 56.263 55.803 0.002 0.000 0.857 436 Q CB 0.129 28.868 28.738 0.001 0.000 0.929 436 Q HN 0.171 nan 8.270 nan 0.000 0.453 437 N N 0.409 119.109 118.700 0.002 0.000 2.043 437 N HA -0.148 4.592 4.740 -0.000 0.000 0.193 437 N C 1.909 177.421 175.510 0.002 0.000 1.037 437 N CA 1.206 54.257 53.050 0.002 0.000 0.851 437 N CB -0.570 37.918 38.487 0.001 0.000 1.027 437 N HN 0.020 nan 8.380 nan 0.000 0.422 438 V N 0.989 120.904 119.914 0.002 0.000 2.278 438 V HA -0.244 3.876 4.120 -0.000 0.000 0.251 438 V C 2.420 178.516 176.094 0.003 0.000 1.062 438 V CA 2.161 64.463 62.300 0.003 0.000 1.038 438 V CB -1.395 30.430 31.823 0.003 0.000 0.646 438 V HN 0.406 nan 8.190 nan 0.000 0.447 439 G N 0.046 108.848 108.800 0.003 0.000 2.459 439 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 439 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 439 G C 1.533 176.435 174.900 0.003 0.000 1.183 439 G CA 1.320 46.422 45.100 0.003 0.000 0.776 439 G HN 0.522 nan 8.290 nan 0.000 0.552 440 I N 0.528 121.100 120.570 0.003 0.000 2.163 440 I HA -0.211 3.959 4.170 -0.000 0.000 0.243 440 I C 2.840 178.959 176.117 0.004 0.000 1.085 440 I CA 1.490 62.791 61.300 0.003 0.000 1.347 440 I CB -0.227 37.774 38.000 0.002 0.000 1.044 440 I HN 0.100 nan 8.210 nan 0.000 0.408 441 K N 0.569 120.971 120.400 0.004 0.000 2.002 441 K HA -0.124 4.196 4.320 -0.000 0.000 0.209 441 K C 2.192 178.795 176.600 0.005 0.000 1.048 441 K CA 1.392 57.681 56.287 0.004 0.000 0.930 441 K CB -0.528 31.975 32.500 0.004 0.000 0.714 441 K HN 0.115 nan 8.250 nan 0.000 0.438 442 V N 1.809 121.726 119.914 0.005 0.000 2.277 442 V HA -0.364 3.756 4.120 -0.000 0.000 0.255 442 V C 2.452 178.550 176.094 0.007 0.000 1.074 442 V CA 2.335 64.638 62.300 0.006 0.000 1.058 442 V CB -0.792 31.035 31.823 0.006 0.000 0.656 442 V HN 0.452 nan 8.190 nan 0.000 0.449 443 A N -1.148 121.676 122.820 0.006 0.000 1.898 443 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 443 A C 2.210 179.798 177.584 0.008 0.000 1.181 443 A CA 1.700 53.742 52.037 0.007 0.000 0.620 443 A CB -0.436 18.567 19.000 0.005 0.000 0.819 443 A HN 0.502 nan 8.150 nan 0.000 0.442 444 L N -0.890 120.338 121.223 0.007 0.000 2.027 444 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 444 L C 2.824 179.700 176.870 0.010 0.000 1.074 444 L CA 1.708 56.552 54.840 0.008 0.000 0.745 444 L CB -0.399 41.665 42.059 0.007 0.000 0.898 444 L HN 0.486 nan 8.230 nan 0.000 0.433 445 R N 0.473 120.979 120.500 0.009 0.000 2.235 445 R HA -0.071 4.269 4.340 -0.000 0.000 0.213 445 R C 1.996 178.302 176.300 0.010 0.000 1.059 445 R CA 0.972 57.077 56.100 0.009 0.000 0.997 445 R CB -0.024 30.281 30.300 0.007 0.000 0.884 445 R HN 0.297 nan 8.270 nan 0.000 0.462 446 A N 0.967 123.793 122.820 0.011 0.000 2.015 446 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 446 A C 2.035 179.628 177.584 0.015 0.000 1.163 446 A CA 0.950 52.995 52.037 0.013 0.000 0.646 446 A CB -0.264 18.744 19.000 0.013 0.000 0.806 446 A HN 0.351 nan 8.150 nan 0.000 0.448 447 M N -0.441 119.167 119.600 0.015 0.000 2.492 447 M HA -0.061 4.419 4.480 -0.000 0.000 0.262 447 M C 1.274 177.585 176.300 0.019 0.000 1.090 447 M CA 0.922 56.232 55.300 0.017 0.000 1.110 447 M CB -0.274 32.336 32.600 0.016 0.000 1.407 447 M HN 0.450 nan 8.290 nan 0.000 0.470 448 E N 0.838 121.049 120.200 0.017 0.000 2.481 448 E HA 0.039 4.389 4.350 -0.000 0.000 0.195 448 E C 2.043 178.655 176.600 0.019 0.000 1.047 448 E CA 0.516 56.928 56.400 0.019 0.000 0.867 448 E CB -0.043 29.666 29.700 0.016 0.000 0.858 448 E HN 0.477 nan 8.360 nan 0.000 0.513 449 A N 2.763 125.593 122.820 0.017 0.000 1.865 449 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 449 A C -0.186 177.409 177.584 0.019 0.000 1.191 449 A CA 1.343 53.390 52.037 0.016 0.000 0.623 449 A CB -1.437 17.572 19.000 0.016 0.000 0.826 449 A HN 0.154 nan 8.150 nan 0.000 0.444 450 P HA -0.144 nan 4.420 nan 0.000 0.215 450 P C 1.738 179.055 177.300 0.028 0.000 1.157 450 P CA 0.999 64.112 63.100 0.022 0.000 0.868 450 P CB -0.092 31.621 31.700 0.022 0.000 0.788 451 L N -0.549 120.693 121.223 0.033 0.000 1.994 451 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 451 L C 2.453 179.346 176.870 0.039 0.000 1.071 451 L CA 1.887 56.755 54.840 0.046 0.000 0.745 451 L CB -0.744 41.346 42.059 0.051 0.000 0.892 451 L HN -0.287 nan 8.230 nan 0.000 0.431 452 R N -0.934 119.581 120.500 0.025 0.000 2.119 452 R HA -0.257 4.083 4.340 -0.000 0.000 0.246 452 R C 2.361 178.672 176.300 0.019 0.000 1.146 452 R CA 1.914 58.024 56.100 0.016 0.000 0.962 452 R CB -0.394 29.912 30.300 0.011 0.000 0.863 452 R HN 0.445 nan 8.270 nan 0.000 0.442 453 Q N 0.363 120.176 119.800 0.021 0.000 2.046 453 Q HA -0.058 4.282 4.340 -0.000 0.000 0.200 453 Q C 1.835 177.851 176.000 0.026 0.000 0.975 453 Q CA 1.458 57.273 55.803 0.020 0.000 0.836 453 Q CB -0.003 28.745 28.738 0.017 0.000 0.896 453 Q HN 0.280 nan 8.270 nan 0.000 0.428 454 I N -0.312 120.278 120.570 0.034 0.000 2.127 454 I HA -0.268 3.902 4.170 -0.000 0.000 0.241 454 I C 2.145 178.298 176.117 0.059 0.000 1.075 454 I CA 1.094 62.420 61.300 0.042 0.000 1.334 454 I CB -1.070 36.959 38.000 0.049 0.000 1.040 454 I HN 0.098 nan 8.210 nan 0.000 0.405 455 V N 1.084 121.043 119.914 0.076 0.000 2.324 455 V HA -0.296 3.824 4.120 -0.000 0.000 0.250 455 V C 2.575 178.697 176.094 0.046 0.000 1.060 455 V CA 1.917 64.265 62.300 0.080 0.000 1.042 455 V CB -0.655 31.179 31.823 0.018 0.000 0.650 455 V HN 0.332 nan 8.190 nan 0.000 0.450 456 L N 0.598 121.837 121.223 0.028 0.000 1.994 456 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 456 L C 2.259 179.141 176.870 0.019 0.000 1.071 456 L CA 2.084 56.935 54.840 0.018 0.000 0.745 456 L CB -0.938 41.128 42.059 0.013 0.000 0.892 456 L HN 0.306 nan 8.230 nan 0.000 0.431 457 N N -0.551 118.161 118.700 0.020 0.000 2.096 457 N HA -0.247 4.493 4.740 -0.000 0.000 0.195 457 N C 1.817 177.338 175.510 0.017 0.000 1.017 457 N CA 1.963 55.023 53.050 0.016 0.000 0.870 457 N CB -1.078 37.419 38.487 0.015 0.000 1.024 457 N HN 0.477 nan 8.380 nan 0.000 0.434 458 C N -0.935 118.381 119.300 0.027 0.000 2.437 458 C HA 0.174 4.634 4.460 -0.000 0.000 0.283 458 C C 1.793 176.799 174.990 0.028 0.000 1.424 458 C CA 0.507 59.542 59.018 0.029 0.000 1.782 458 C CB -1.322 26.452 27.740 0.056 0.000 1.833 458 C HN 0.681 nan 8.230 nan 0.000 0.532 459 G N 0.574 109.389 108.800 0.025 0.000 2.143 459 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.249 459 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.249 459 G C -0.133 174.779 174.900 0.019 0.000 0.981 459 G CA 0.279 45.390 45.100 0.018 0.000 0.665 459 G HN 0.582 nan 8.290 nan 0.000 0.528 460 E N 0.450 120.666 120.200 0.027 0.000 2.322 460 E HA 0.386 4.736 4.350 -0.000 0.000 0.257 460 E C 0.107 176.703 176.600 -0.006 0.000 1.155 460 E CA -0.717 55.691 56.400 0.014 0.000 0.936 460 E CB 0.788 30.500 29.700 0.021 0.000 1.130 460 E HN 0.338 nan 8.360 nan 0.000 0.465 461 E N 1.483 121.668 120.200 -0.025 0.000 2.324 461 E HA 0.065 4.415 4.350 -0.000 0.000 0.271 461 E C -1.737 174.834 176.600 -0.049 0.000 1.028 461 E CA -1.418 54.964 56.400 -0.030 0.000 0.890 461 E CB 0.998 30.680 29.700 -0.030 0.000 1.004 461 E HN 0.233 nan 8.360 nan 0.000 0.431 462 P HA -0.113 nan 4.420 nan 0.000 0.211 462 P C 1.492 178.770 177.300 -0.036 0.000 1.183 462 P CA 1.124 64.205 63.100 -0.033 0.000 0.901 462 P CB -0.014 31.679 31.700 -0.012 0.000 0.762 463 S N -0.065 115.621 115.700 -0.022 0.000 2.457 463 S HA -0.269 4.201 4.470 -0.000 0.000 0.269 463 S C 2.030 176.613 174.600 -0.028 0.000 1.139 463 S CA 2.475 60.663 58.200 -0.019 0.000 1.176 463 S CB -2.094 61.097 63.200 -0.014 0.000 1.088 463 S HN -0.048 nan 8.310 nan 0.000 0.443 464 V N 1.559 121.451 119.914 -0.036 0.000 2.270 464 V HA -0.125 3.995 4.120 -0.000 0.000 0.245 464 V C 2.730 178.791 176.094 -0.056 0.000 1.043 464 V CA 1.795 64.071 62.300 -0.040 0.000 1.014 464 V CB -0.821 30.982 31.823 -0.032 0.000 0.645 464 V HN 0.515 nan 8.190 nan 0.000 0.447 465 V N 0.231 120.081 119.914 -0.107 0.000 2.392 465 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 465 V C 2.656 178.721 176.094 -0.048 0.000 1.059 465 V CA 2.014 64.226 62.300 -0.147 0.000 1.051 465 V CB -1.158 30.399 31.823 -0.443 0.000 0.658 465 V HN 0.572 nan 8.190 nan 0.000 0.455 466 A N 0.850 123.647 122.820 -0.039 0.000 1.841 466 A HA -0.350 3.970 4.320 -0.000 0.000 0.216 466 A C 2.078 179.662 177.584 -0.000 0.000 1.199 466 A CA 2.574 54.608 52.037 -0.005 0.000 0.621 466 A CB -1.058 17.939 19.000 -0.004 0.000 0.835 466 A HN 0.681 nan 8.150 nan 0.000 0.445 467 N N -0.491 118.201 118.700 -0.013 0.000 2.061 467 N HA -0.218 4.521 4.740 -0.000 0.000 0.193 467 N C 1.808 177.305 175.510 -0.022 0.000 1.030 467 N CA 3.409 56.450 53.050 -0.014 0.000 0.856 467 N CB -0.578 37.897 38.487 -0.021 0.000 1.023 467 N HN 0.526 nan 8.380 nan 0.000 0.424 468 T N -1.933 112.588 114.554 -0.055 0.000 2.867 468 T HA -0.040 4.310 4.350 -0.000 0.000 0.268 468 T C 1.932 176.618 174.700 -0.024 0.000 1.057 468 T CA 1.389 63.428 62.100 -0.103 0.000 1.136 468 T CB -0.749 67.945 68.868 -0.291 0.000 0.874 468 T HN 0.043 nan 8.240 nan 0.000 0.466 469 V N 2.005 121.932 119.914 0.021 0.000 2.343 469 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 469 V C 2.869 179.035 176.094 0.119 0.000 1.051 469 V CA 1.980 64.333 62.300 0.088 0.000 1.036 469 V CB -0.558 31.319 31.823 0.091 0.000 0.654 469 V HN 0.550 nan 8.190 nan 0.000 0.451 470 K N 0.334 120.774 120.400 0.067 0.000 2.103 470 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 470 K C 2.149 178.781 176.600 0.053 0.000 1.048 470 K CA 1.584 57.904 56.287 0.054 0.000 0.930 470 K CB -0.690 31.826 32.500 0.028 0.000 0.716 470 K HN 0.580 nan 8.250 nan 0.000 0.444 471 G N 1.060 109.887 108.800 0.045 0.000 2.559 471 G HA2 -0.085 3.874 3.960 -0.000 0.000 0.216 471 G HA3 -0.085 3.874 3.960 -0.000 0.000 0.216 471 G C 0.814 175.714 174.900 0.001 0.000 1.126 471 G CA 0.750 45.858 45.100 0.014 0.000 0.778 471 G HN 0.376 nan 8.290 nan 0.000 0.543 472 G N -1.038 107.802 108.800 0.066 0.000 2.641 472 G HA2 0.526 4.486 3.960 -0.000 0.000 0.239 472 G HA3 0.526 4.486 3.960 -0.000 0.000 0.239 472 G C -1.032 173.883 174.900 0.024 0.000 1.402 472 G CA -0.462 44.625 45.100 -0.022 0.000 1.046 472 G HN 0.137 nan 8.290 nan 0.000 0.565 473 D N -1.946 118.470 120.400 0.027 0.000 2.570 473 D HA 0.488 5.128 4.640 -0.000 0.000 0.244 473 D C 0.790 177.139 176.300 0.082 0.000 1.178 473 D CA 0.546 54.570 54.000 0.040 0.000 0.881 473 D CB 2.014 42.811 40.800 -0.004 0.000 1.453 473 D HN 0.861 nan 8.370 nan 0.000 0.447 474 G N 1.695 110.533 108.800 0.063 0.000 2.629 474 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.313 474 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.313 474 G C 0.357 175.312 174.900 0.090 0.000 1.217 474 G CA 0.179 45.318 45.100 0.064 0.000 0.994 474 G HN 0.572 nan 8.290 nan 0.000 0.549 475 N N 0.378 119.139 118.700 0.101 0.000 2.380 475 N HA 0.197 4.937 4.740 -0.000 0.000 0.255 475 N C -0.230 175.376 175.510 0.159 0.000 1.158 475 N CA -0.054 53.059 53.050 0.105 0.000 0.878 475 N CB 0.429 38.959 38.487 0.071 0.000 1.138 475 N HN 0.458 nan 8.380 nan 0.000 0.509 476 Y N 1.398 121.728 120.300 0.049 0.000 2.442 476 Y HA 0.414 4.964 4.550 -0.000 0.000 0.330 476 Y C 0.820 176.782 175.900 0.103 0.000 1.129 476 Y CA 0.123 58.266 58.100 0.072 0.000 1.365 476 Y CB 0.354 38.847 38.460 0.055 0.000 1.233 476 Y HN 0.153 nan 8.280 nan 0.000 0.529 477 G N 3.899 112.516 108.800 -0.305 0.000 2.706 477 G HA2 0.292 4.252 3.960 -0.000 0.000 0.307 477 G HA3 0.292 4.252 3.960 -0.000 0.000 0.307 477 G C -2.486 172.352 174.900 -0.103 0.000 1.307 477 G CA -0.877 44.128 45.100 -0.157 0.000 0.790 477 G HN 0.534 nan 8.290 nan 0.000 0.503 478 Y N 1.212 121.445 120.300 -0.111 0.000 2.352 478 Y HA 0.649 5.199 4.550 -0.000 0.000 0.339 478 Y C -0.430 175.356 175.900 -0.190 0.000 0.992 478 Y CA -1.559 56.412 58.100 -0.214 0.000 1.100 478 Y CB 1.911 40.272 38.460 -0.166 0.000 1.192 478 Y HN 0.446 nan 8.280 nan 0.000 0.458 479 N N 4.793 123.083 118.700 -0.684 0.000 2.589 479 N HA 0.257 4.997 4.740 -0.000 0.000 0.232 479 N C 0.444 175.469 175.510 -0.809 0.000 1.015 479 N CA 0.409 53.132 53.050 -0.545 0.000 0.931 479 N CB 1.066 39.352 38.487 -0.335 0.000 1.150 479 N HN 0.857 nan 8.380 nan 0.000 0.512 480 A N 3.464 125.877 122.820 -0.678 0.000 2.032 480 A HA -0.124 4.196 4.320 -0.000 0.000 0.221 480 A C 2.072 179.475 177.584 -0.302 0.000 1.165 480 A CA 1.874 53.610 52.037 -0.503 0.000 0.645 480 A CB -0.696 18.223 19.000 -0.135 0.000 0.807 480 A HN 0.714 nan 8.150 nan 0.000 0.453 481 A N -0.677 122.000 122.820 -0.239 0.000 1.933 481 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 481 A C 2.227 179.716 177.584 -0.158 0.000 1.175 481 A CA 2.298 54.243 52.037 -0.153 0.000 0.628 481 A CB -0.798 18.133 19.000 -0.114 0.000 0.814 481 A HN 0.901 nan 8.150 nan 0.000 0.444 482 T N -2.978 111.447 114.554 -0.216 0.000 3.044 482 T HA 0.236 4.586 4.350 -0.000 0.000 0.260 482 T C 0.113 174.689 174.700 -0.208 0.000 1.019 482 T CA 0.601 62.599 62.100 -0.170 0.000 0.921 482 T CB -0.354 68.429 68.868 -0.142 0.000 1.053 482 T HN 0.621 nan 8.240 nan 0.000 0.533 483 E N 0.444 120.441 120.200 -0.340 0.000 2.328 483 E HA -0.223 4.127 4.350 -0.000 0.000 0.233 483 E C -0.669 175.752 176.600 -0.300 0.000 1.219 483 E CA 0.650 56.839 56.400 -0.352 0.000 0.717 483 E CB -2.286 27.376 29.700 -0.062 0.000 1.210 483 E HN 0.734 nan 8.360 nan 0.000 0.381 484 E N -0.311 119.651 120.200 -0.397 0.000 2.212 484 E HA 0.465 4.815 4.350 -0.000 0.000 0.268 484 E C -0.708 175.712 176.600 -0.300 0.000 0.902 484 E CA -0.749 55.504 56.400 -0.244 0.000 0.779 484 E CB 1.050 30.684 29.700 -0.109 0.000 1.172 484 E HN 0.130 nan 8.360 nan 0.000 0.409 485 Y N 0.720 121.035 120.300 0.026 0.000 2.326 485 Y HA 0.678 5.228 4.550 -0.000 0.000 0.324 485 Y C 1.137 177.010 175.900 -0.046 0.000 1.291 485 Y CA 0.243 58.289 58.100 -0.090 0.000 1.348 485 Y CB 1.456 39.843 38.460 -0.121 0.000 1.294 485 Y HN 0.638 nan 8.280 nan 0.000 0.525 486 G N 0.356 109.174 108.800 0.030 0.000 2.336 486 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.286 486 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.286 486 G C -1.870 173.136 174.900 0.176 0.000 1.269 486 G CA -1.159 44.050 45.100 0.182 0.000 0.873 486 G HN 0.550 nan 8.290 nan 0.000 0.494 487 N N 1.302 120.100 118.700 0.162 0.000 2.439 487 N HA 0.109 4.849 4.740 -0.000 0.000 0.243 487 N C 1.759 177.303 175.510 0.057 0.000 1.088 487 N CA -0.527 52.600 53.050 0.128 0.000 0.940 487 N CB 0.662 39.213 38.487 0.108 0.000 1.180 487 N HN 0.398 nan 8.380 nan 0.000 0.505 488 M N 3.287 122.910 119.600 0.037 0.000 2.255 488 M HA -0.204 4.276 4.480 -0.000 0.000 0.259 488 M C 1.597 177.901 176.300 0.007 0.000 1.071 488 M CA 1.287 56.589 55.300 0.003 0.000 1.074 488 M CB -0.467 32.135 32.600 0.003 0.000 1.384 488 M HN 0.595 nan 8.290 nan 0.000 0.415 489 I N -0.214 120.370 120.570 0.023 0.000 2.339 489 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 489 I C 1.859 177.985 176.117 0.015 0.000 1.096 489 I CA 0.842 62.153 61.300 0.018 0.000 1.408 489 I CB -0.249 37.765 38.000 0.024 0.000 1.092 489 I HN 0.147 nan 8.210 nan 0.000 0.423 490 D N 0.923 121.337 120.400 0.023 0.000 2.116 490 D HA -0.230 4.410 4.640 -0.000 0.000 0.193 490 D C 2.002 178.307 176.300 0.009 0.000 0.998 490 D CA 1.693 55.705 54.000 0.020 0.000 0.836 490 D CB -0.275 40.544 40.800 0.031 0.000 0.951 490 D HN 0.303 nan 8.370 nan 0.000 0.449 491 M N -0.759 118.843 119.600 0.003 0.000 2.722 491 M HA 0.155 4.635 4.480 -0.000 0.000 0.238 491 M C 1.087 177.374 176.300 -0.023 0.000 1.098 491 M CA 0.705 55.997 55.300 -0.015 0.000 1.062 491 M CB 0.228 32.808 32.600 -0.033 0.000 1.573 491 M HN 0.105 nan 8.290 nan 0.000 0.531 492 G N 1.447 110.239 108.800 -0.013 0.000 2.147 492 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.244 492 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.244 492 G C -0.244 174.644 174.900 -0.020 0.000 1.005 492 G CA -0.411 44.681 45.100 -0.014 0.000 0.713 492 G HN 0.377 nan 8.290 nan 0.000 0.515 493 I N 1.623 122.179 120.570 -0.023 0.000 2.388 493 I HA 0.569 4.739 4.170 -0.000 0.000 0.281 493 I C 0.448 176.558 176.117 -0.012 0.000 1.046 493 I CA -1.341 59.943 61.300 -0.026 0.000 1.187 493 I CB 0.477 38.450 38.000 -0.046 0.000 1.351 493 I HN 0.410 nan 8.210 nan 0.000 0.472 494 L N 2.852 124.072 121.223 -0.006 0.000 2.393 494 L HA 0.814 5.154 4.340 -0.000 0.000 0.260 494 L C -1.536 175.336 176.870 0.004 0.000 1.002 494 L CA -0.620 54.221 54.840 0.002 0.000 0.818 494 L CB 3.235 45.297 42.059 0.006 0.000 1.369 494 L HN 0.105 nan 8.230 nan 0.000 0.412 495 D N 1.942 122.346 120.400 0.008 0.000 2.362 495 D HA 0.521 5.161 4.640 -0.000 0.000 0.247 495 D C -2.600 173.707 176.300 0.011 0.000 1.050 495 D CA -1.278 52.727 54.000 0.008 0.000 0.839 495 D CB 2.344 43.149 40.800 0.009 0.000 1.283 495 D HN 0.383 nan 8.370 nan 0.000 0.477 496 P HA -0.001 nan 4.420 nan 0.000 0.266 496 P C 0.842 178.151 177.300 0.015 0.000 1.193 496 P CA 0.137 63.245 63.100 0.015 0.000 0.770 496 P CB 0.673 32.383 31.700 0.016 0.000 0.836 497 T N 1.643 116.207 114.554 0.016 0.000 2.777 497 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 497 T C 1.649 176.359 174.700 0.018 0.000 1.040 497 T CA 1.156 63.266 62.100 0.017 0.000 1.141 497 T CB -0.348 68.529 68.868 0.016 0.000 0.868 497 T HN 0.478 nan 8.240 nan 0.000 0.444 498 K N 0.658 121.069 120.400 0.019 0.000 2.059 498 K HA -0.162 4.158 4.320 -0.000 0.000 0.212 498 K C 2.386 179.002 176.600 0.027 0.000 1.050 498 K CA 1.770 58.071 56.287 0.024 0.000 0.927 498 K CB -0.451 32.064 32.500 0.025 0.000 0.714 498 K HN 0.310 nan 8.250 nan 0.000 0.447 499 V N -0.370 119.556 119.914 0.020 0.000 2.453 499 V HA -0.148 3.972 4.120 -0.000 0.000 0.247 499 V C 1.744 177.853 176.094 0.025 0.000 1.048 499 V CA 2.314 64.625 62.300 0.019 0.000 1.049 499 V CB -0.411 31.412 31.823 -0.001 0.000 0.672 499 V HN 0.326 nan 8.190 nan 0.000 0.457 500 T N 0.679 115.247 114.554 0.022 0.000 2.708 500 T HA -0.147 4.202 4.350 -0.000 0.000 0.266 500 T C 1.926 176.643 174.700 0.028 0.000 1.037 500 T CA 2.094 64.209 62.100 0.024 0.000 1.146 500 T CB -0.354 68.526 68.868 0.020 0.000 0.865 500 T HN 0.639 nan 8.240 nan 0.000 0.435 501 R N 1.071 121.585 120.500 0.024 0.000 2.088 501 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 501 R C 2.544 178.861 176.300 0.029 0.000 1.136 501 R CA 2.038 58.148 56.100 0.018 0.000 0.926 501 R CB -0.614 29.691 30.300 0.009 0.000 0.837 501 R HN 0.254 nan 8.270 nan 0.000 0.429 502 S N 1.060 116.794 115.700 0.057 0.000 2.389 502 S HA -0.312 4.158 4.470 -0.000 0.000 0.229 502 S C 2.134 176.856 174.600 0.204 0.000 1.048 502 S CA 1.683 59.967 58.200 0.141 0.000 1.117 502 S CB -0.840 62.471 63.200 0.185 0.000 1.020 502 S HN 0.639 nan 8.310 nan 0.000 0.430 503 A N 1.553 124.456 122.820 0.138 0.000 1.906 503 A HA -0.239 4.081 4.320 -0.000 0.000 0.222 503 A C 2.174 179.820 177.584 0.103 0.000 1.282 503 A CA 2.159 54.262 52.037 0.110 0.000 0.675 503 A CB -1.128 17.906 19.000 0.058 0.000 0.838 503 A HN 0.473 nan 8.150 nan 0.000 0.469 504 L N -1.308 119.951 121.223 0.060 0.000 2.027 504 L HA -0.235 4.105 4.340 -0.000 0.000 0.206 504 L C 2.919 179.799 176.870 0.015 0.000 1.074 504 L CA 2.103 56.964 54.840 0.034 0.000 0.745 504 L CB -0.574 41.494 42.059 0.016 0.000 0.898 504 L HN 0.576 nan 8.230 nan 0.000 0.433 505 Q N -1.245 118.542 119.800 -0.023 0.000 2.061 505 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 505 Q C 2.022 177.941 176.000 -0.135 0.000 0.984 505 Q CA 2.059 57.791 55.803 -0.118 0.000 0.846 505 Q CB -0.192 28.418 28.738 -0.213 0.000 0.902 505 Q HN 0.460 nan 8.270 nan 0.000 0.421 506 Y N -0.260 120.039 120.300 -0.001 0.000 2.242 506 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 506 Y C 2.252 178.151 175.900 -0.001 0.000 1.137 506 Y CA 1.013 59.112 58.100 -0.002 0.000 1.181 506 Y CB -0.410 38.047 38.460 -0.005 0.000 0.989 506 Y HN 0.143 nan 8.280 nan 0.000 0.527 507 A N -0.289 122.622 122.820 0.153 0.000 1.930 507 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 507 A C 2.401 180.020 177.584 0.059 0.000 1.175 507 A CA 1.546 53.638 52.037 0.093 0.000 0.627 507 A CB -1.113 17.925 19.000 0.064 0.000 0.815 507 A HN 0.360 nan 8.150 nan 0.000 0.443 508 A N -0.470 122.370 122.820 0.033 0.000 2.015 508 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 508 A C 2.421 180.011 177.584 0.010 0.000 1.163 508 A CA 2.005 54.049 52.037 0.012 0.000 0.646 508 A CB -0.726 18.270 19.000 -0.006 0.000 0.806 508 A HN 0.665 nan 8.150 nan 0.000 0.448 509 S N -0.718 114.989 115.700 0.011 0.000 2.355 509 S HA -0.113 4.357 4.470 -0.000 0.000 0.222 509 S C 1.912 176.534 174.600 0.037 0.000 1.031 509 S CA 1.644 59.850 58.200 0.010 0.000 0.993 509 S CB -0.526 62.673 63.200 -0.001 0.000 0.859 509 S HN 0.566 nan 8.310 nan 0.000 0.453 510 V N 1.367 121.317 119.914 0.060 0.000 2.871 510 V HA 0.233 4.353 4.120 -0.000 0.000 0.256 510 V C 2.437 178.552 176.094 0.036 0.000 1.082 510 V CA 1.510 63.842 62.300 0.053 0.000 1.105 510 V CB -0.711 31.149 31.823 0.062 0.000 0.713 510 V HN 0.615 nan 8.190 nan 0.000 0.473 511 A N -0.064 122.775 122.820 0.031 0.000 1.930 511 A HA 0.141 4.461 4.320 -0.000 0.000 0.215 511 A C 2.298 179.893 177.584 0.019 0.000 1.176 511 A CA 1.358 53.409 52.037 0.024 0.000 0.632 511 A CB -1.118 17.895 19.000 0.021 0.000 0.819 511 A HN 0.576 nan 8.150 nan 0.000 0.445 512 G N 0.087 108.896 108.800 0.016 0.000 2.433 512 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 512 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 512 G C 1.390 176.299 174.900 0.015 0.000 1.186 512 G CA 1.173 46.280 45.100 0.012 0.000 0.779 512 G HN 0.315 nan 8.290 nan 0.000 0.543 513 L N 0.191 121.425 121.223 0.018 0.000 2.051 513 L HA -0.069 4.271 4.340 -0.000 0.000 0.214 513 L C 2.984 179.866 176.870 0.020 0.000 1.076 513 L CA 1.591 56.443 54.840 0.020 0.000 0.758 513 L CB -0.517 41.557 42.059 0.025 0.000 0.890 513 L HN 0.250 nan 8.230 nan 0.000 0.433 514 M N -1.955 117.658 119.600 0.021 0.000 2.160 514 M HA -0.143 4.337 4.480 -0.000 0.000 0.264 514 M C 2.136 178.447 176.300 0.017 0.000 1.073 514 M CA 1.418 56.730 55.300 0.020 0.000 1.142 514 M CB -0.167 32.446 32.600 0.021 0.000 1.358 514 M HN 0.127 nan 8.290 nan 0.000 0.422 515 I N 0.195 120.774 120.570 0.016 0.000 2.850 515 I HA -0.211 3.959 4.170 -0.000 0.000 0.266 515 I C 1.277 177.403 176.117 0.015 0.000 1.257 515 I CA 1.147 62.455 61.300 0.014 0.000 1.465 515 I CB -0.325 37.682 38.000 0.012 0.000 1.091 515 I HN 0.384 nan 8.210 nan 0.000 0.467 516 T N -4.344 110.220 114.554 0.017 0.000 3.252 516 T HA 0.192 4.542 4.350 -0.000 0.000 0.286 516 T C 0.474 175.187 174.700 0.022 0.000 1.013 516 T CA -0.333 61.778 62.100 0.018 0.000 0.914 516 T CB -0.200 68.677 68.868 0.016 0.000 1.131 516 T HN -0.104 nan 8.240 nan 0.000 0.529 517 T N 2.603 117.170 114.554 0.022 0.000 2.771 517 T HA 0.312 4.662 4.350 -0.000 0.000 0.291 517 T C 0.594 175.311 174.700 0.029 0.000 0.954 517 T CA -0.437 61.676 62.100 0.022 0.000 1.045 517 T CB 1.415 70.294 68.868 0.019 0.000 0.917 517 T HN 0.067 nan 8.240 nan 0.000 0.484 518 E N 0.708 120.931 120.200 0.038 0.000 2.447 518 E HA 0.179 4.529 4.350 -0.000 0.000 0.204 518 E C 0.236 176.872 176.600 0.060 0.000 0.977 518 E CA 0.118 56.560 56.400 0.069 0.000 0.950 518 E CB 0.597 30.355 29.700 0.098 0.000 0.975 518 E HN 0.561 nan 8.360 nan 0.000 0.496 519 C N 0.190 119.478 119.300 -0.020 0.000 3.086 519 C HA 0.686 5.146 4.460 -0.000 0.000 0.311 519 C C -1.518 173.401 174.990 -0.119 0.000 1.260 519 C CA -0.615 58.295 59.018 -0.179 0.000 1.426 519 C CB 0.757 28.372 27.740 -0.208 0.000 1.826 519 C HN 0.142 nan 8.230 nan 0.000 0.474 520 M N 5.051 124.569 119.600 -0.138 0.000 2.183 520 M HA 0.434 4.914 4.480 -0.000 0.000 0.277 520 M C -1.122 175.228 176.300 0.085 0.000 0.995 520 M CA -0.357 54.971 55.300 0.048 0.000 0.969 520 M CB 1.903 34.629 32.600 0.209 0.000 1.659 520 M HN 0.435 nan 8.290 nan 0.000 0.462 521 V N 1.703 121.618 119.914 0.001 0.000 2.630 521 V HA 0.879 4.999 4.120 -0.000 0.000 0.305 521 V C 0.011 176.031 176.094 -0.123 0.000 1.046 521 V CA -0.243 62.032 62.300 -0.042 0.000 0.934 521 V CB 2.032 33.826 31.823 -0.049 0.000 1.003 521 V HN 0.938 nan 8.190 nan 0.000 0.451 522 T N 1.517 115.963 114.554 -0.181 0.000 2.686 522 T HA 0.219 4.569 4.350 -0.000 0.000 0.308 522 T C -1.845 172.736 174.700 -0.199 0.000 1.667 522 T CA -0.646 61.295 62.100 -0.265 0.000 0.987 522 T CB 1.739 70.278 68.868 -0.548 0.000 1.652 522 T HN 0.690 nan 8.240 nan 0.000 0.496 523 D N 1.292 121.588 120.400 -0.173 0.000 2.354 523 D HA 0.342 4.982 4.640 -0.000 0.000 0.247 523 D C 0.134 176.374 176.300 -0.100 0.000 1.138 523 D CA -0.340 53.597 54.000 -0.106 0.000 0.958 523 D CB 0.894 41.648 40.800 -0.077 0.000 1.144 523 D HN 0.414 nan 8.370 nan 0.000 0.458 524 L N 2.253 123.445 121.223 -0.052 0.000 2.453 524 L HA 0.103 4.443 4.340 -0.000 0.000 0.272 524 L C -1.349 175.504 176.870 -0.027 0.000 1.182 524 L CA -1.328 53.496 54.840 -0.027 0.000 0.858 524 L CB 0.175 42.229 42.059 -0.008 0.000 1.120 524 L HN 0.232 nan 8.230 nan 0.000 0.474 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.096 63.100 -0.007 0.000 0.800 525 P CB 0.000 31.709 31.700 0.015 0.000 0.726