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 1gru_1_J DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.578 177.584 -0.010 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 3 A N 3.350 126.166 122.820 -0.007 0.000 2.488 3 A HA 0.575 4.895 4.320 -0.000 0.000 0.249 3 A C 0.461 178.039 177.584 -0.009 0.000 1.083 3 A CA 0.158 52.193 52.037 -0.002 0.000 0.768 3 A CB 0.168 19.170 19.000 0.003 0.000 1.017 3 A HN 0.612 nan 8.150 nan 0.000 0.496 4 K N 1.302 121.700 120.400 -0.003 0.000 2.177 4 K HA 0.432 4.752 4.320 -0.000 0.000 0.238 4 K C -0.850 175.754 176.600 0.008 0.000 1.015 4 K CA -0.659 55.620 56.287 -0.013 0.000 0.922 4 K CB 0.893 33.388 32.500 -0.007 0.000 1.127 4 K HN 0.724 nan 8.250 nan 0.000 0.469 5 D N 0.591 120.989 120.400 -0.003 0.000 2.391 5 D HA 0.362 5.002 4.640 -0.000 0.000 0.245 5 D C -1.363 175.067 176.300 0.216 0.000 1.069 5 D CA -0.626 53.419 54.000 0.075 0.000 0.831 5 D CB 1.321 42.123 40.800 0.002 0.000 1.204 5 D HN 0.056 nan 8.370 nan 0.000 0.503 6 V N 4.215 124.274 119.914 0.243 0.000 2.540 6 V HA 0.476 4.596 4.120 -0.000 0.000 0.302 6 V C 0.127 176.288 176.094 0.111 0.000 1.035 6 V CA -0.792 61.613 62.300 0.175 0.000 0.873 6 V CB 1.897 33.744 31.823 0.041 0.000 0.992 6 V HN 0.406 nan 8.190 nan 0.000 0.428 7 K N 3.260 123.578 120.400 -0.137 0.000 2.328 7 K HA 0.785 5.105 4.320 -0.000 0.000 0.246 7 K C -1.592 174.834 176.600 -0.290 0.000 0.955 7 K CA -0.551 55.607 56.287 -0.215 0.000 0.817 7 K CB 2.484 34.605 32.500 -0.632 0.000 1.208 7 K HN 0.429 nan 8.250 nan 0.000 0.432 8 F N -0.576 119.299 119.950 -0.125 0.000 2.654 8 F HA 0.407 4.934 4.527 -0.000 0.000 0.334 8 F C 1.352 177.100 175.800 -0.086 0.000 1.078 8 F CA -0.076 57.873 58.000 -0.084 0.000 0.986 8 F CB 0.902 39.874 39.000 -0.047 0.000 1.362 8 F HN 0.804 nan 8.300 nan 0.000 0.498 9 G N 1.479 110.380 108.800 0.168 0.000 2.672 9 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.356 9 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.356 9 G C 1.084 175.993 174.900 0.014 0.000 1.312 9 G CA 1.410 46.551 45.100 0.068 0.000 0.980 9 G HN 0.689 nan 8.290 nan 0.000 0.540 10 N N 1.285 119.988 118.700 0.005 0.000 2.025 10 N HA -0.031 4.709 4.740 -0.000 0.000 0.194 10 N C 1.855 177.341 175.510 -0.040 0.000 1.044 10 N CA 1.866 54.907 53.050 -0.016 0.000 0.851 10 N CB -0.662 37.819 38.487 -0.011 0.000 1.036 10 N HN 0.615 nan 8.380 nan 0.000 0.422 11 D N 0.245 120.624 120.400 -0.036 0.000 2.242 11 D HA -0.255 4.386 4.640 -0.000 0.000 0.190 11 D C 1.712 177.915 176.300 -0.162 0.000 1.012 11 D CA 1.942 55.897 54.000 -0.075 0.000 0.875 11 D CB -0.489 40.280 40.800 -0.052 0.000 0.922 11 D HN 0.384 nan 8.370 nan 0.000 0.448 12 A N 0.494 123.210 122.820 -0.172 0.000 1.825 12 A HA -0.161 4.159 4.320 -0.000 0.000 0.214 12 A C 2.144 179.628 177.584 -0.167 0.000 1.206 12 A CA 1.635 53.513 52.037 -0.266 0.000 0.609 12 A CB -0.581 18.292 19.000 -0.211 0.000 0.851 12 A HN 0.090 nan 8.150 nan 0.000 0.445 13 R N -0.594 119.851 120.500 -0.091 0.000 2.113 13 R HA -0.167 4.173 4.340 -0.000 0.000 0.244 13 R C 2.056 178.329 176.300 -0.046 0.000 1.142 13 R CA 1.724 57.792 56.100 -0.053 0.000 0.953 13 R CB -0.957 29.326 30.300 -0.030 0.000 0.860 13 R HN 0.395 nan 8.270 nan 0.000 0.438 14 V N 1.701 121.587 119.914 -0.047 0.000 2.252 14 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 14 V C 2.389 178.466 176.094 -0.029 0.000 1.056 14 V CA 1.796 64.076 62.300 -0.033 0.000 1.022 14 V CB -0.462 31.342 31.823 -0.031 0.000 0.641 14 V HN 0.262 nan 8.190 nan 0.000 0.445 15 K N -0.577 119.792 120.400 -0.052 0.000 2.020 15 K HA -0.158 4.162 4.320 -0.000 0.000 0.212 15 K C 2.143 178.748 176.600 0.009 0.000 1.050 15 K CA 1.803 58.081 56.287 -0.016 0.000 0.929 15 K CB -0.659 31.813 32.500 -0.047 0.000 0.714 15 K HN 0.423 nan 8.250 nan 0.000 0.443 16 M N 0.193 119.787 119.600 -0.010 0.000 2.144 16 M HA -0.225 4.255 4.480 -0.000 0.000 0.260 16 M C 2.184 178.489 176.300 0.009 0.000 1.067 16 M CA 1.231 56.536 55.300 0.009 0.000 1.095 16 M CB -0.334 32.263 32.600 -0.005 0.000 1.365 16 M HN 0.064 nan 8.290 nan 0.000 0.406 17 L N 0.452 121.676 121.223 0.000 0.000 1.988 17 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 17 L C 2.355 179.229 176.870 0.007 0.000 1.071 17 L CA 1.911 56.752 54.840 0.003 0.000 0.744 17 L CB -0.651 41.407 42.059 -0.002 0.000 0.893 17 L HN 0.145 nan 8.230 nan 0.000 0.433 18 R N -0.325 120.180 120.500 0.009 0.000 2.094 18 R HA -0.152 4.188 4.340 -0.000 0.000 0.239 18 R C 2.208 178.518 176.300 0.016 0.000 1.137 18 R CA 1.367 57.474 56.100 0.012 0.000 0.943 18 R CB -1.404 28.906 30.300 0.016 0.000 0.850 18 R HN 0.603 nan 8.270 nan 0.000 0.433 19 G N 1.050 109.864 108.800 0.023 0.000 2.672 19 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.218 19 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.218 19 G C 1.452 176.362 174.900 0.016 0.000 1.238 19 G CA 1.324 46.439 45.100 0.026 0.000 0.791 19 G HN 0.301 nan 8.290 nan 0.000 0.606 20 V N 1.331 121.253 119.914 0.013 0.000 2.250 20 V HA -0.336 3.784 4.120 -0.000 0.000 0.250 20 V C 2.298 178.396 176.094 0.007 0.000 1.060 20 V CA 3.118 65.423 62.300 0.008 0.000 1.030 20 V CB -1.033 30.794 31.823 0.007 0.000 0.643 20 V HN 0.616 nan 8.190 nan 0.000 0.445 21 N N -0.511 118.193 118.700 0.007 0.000 2.036 21 N HA -0.244 4.496 4.740 -0.000 0.000 0.199 21 N C 1.811 177.324 175.510 0.006 0.000 1.036 21 N CA 2.223 55.276 53.050 0.006 0.000 0.870 21 N CB -0.413 38.078 38.487 0.006 0.000 1.055 21 N HN 0.467 nan 8.380 nan 0.000 0.436 22 V N 2.092 122.009 119.914 0.006 0.000 2.231 22 V HA -0.273 3.847 4.120 -0.000 0.000 0.250 22 V C 2.308 178.404 176.094 0.003 0.000 1.058 22 V CA 1.573 63.876 62.300 0.005 0.000 1.022 22 V CB -0.770 31.056 31.823 0.006 0.000 0.640 22 V HN 0.424 nan 8.190 nan 0.000 0.445 23 L N 0.190 121.414 121.223 0.003 0.000 1.978 23 L HA -0.268 4.072 4.340 -0.000 0.000 0.218 23 L C 2.526 179.397 176.870 0.000 0.000 1.075 23 L CA 3.081 57.922 54.840 0.000 0.000 0.767 23 L CB -1.292 40.767 42.059 -0.001 0.000 0.890 23 L HN 0.393 nan 8.230 nan 0.000 0.434 24 A N -0.434 122.387 122.820 0.002 0.000 1.858 24 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 24 A C 1.863 179.449 177.584 0.003 0.000 1.190 24 A CA 1.744 53.782 52.037 0.002 0.000 0.617 24 A CB -0.761 18.241 19.000 0.004 0.000 0.827 24 A HN 0.569 nan 8.150 nan 0.000 0.443 25 D N 0.024 120.426 120.400 0.003 0.000 2.221 25 D HA -0.058 4.582 4.640 -0.000 0.000 0.204 25 D C 2.045 178.347 176.300 0.002 0.000 0.982 25 D CA 1.401 55.403 54.000 0.003 0.000 0.857 25 D CB -0.233 40.569 40.800 0.004 0.000 0.934 25 D HN 0.465 nan 8.370 nan 0.000 0.475 26 A N 0.251 123.072 122.820 0.002 0.000 1.935 26 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 26 A C 2.254 179.838 177.584 -0.000 0.000 1.178 26 A CA 0.648 52.686 52.037 0.001 0.000 0.640 26 A CB -0.348 18.652 19.000 0.000 0.000 0.825 26 A HN 0.180 nan 8.150 nan 0.000 0.447 27 V N 0.998 120.911 119.914 -0.000 0.000 3.052 27 V HA -0.105 4.015 4.120 -0.000 0.000 0.254 27 V C 2.299 178.393 176.094 -0.000 0.000 1.100 27 V CA 1.993 64.292 62.300 -0.001 0.000 1.112 27 V CB -0.489 31.333 31.823 -0.003 0.000 0.738 27 V HN 0.779 nan 8.190 nan 0.000 0.469 28 K N 0.794 121.195 120.400 0.001 0.000 2.148 28 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 28 K C 1.722 178.323 176.600 0.002 0.000 1.050 28 K CA 1.778 58.066 56.287 0.002 0.000 0.942 28 K CB -0.919 31.583 32.500 0.004 0.000 0.724 28 K HN 0.488 nan 8.250 nan 0.000 0.446 29 V N 0.397 120.312 119.914 0.002 0.000 3.330 29 V HA -0.099 4.021 4.120 -0.000 0.000 0.273 29 V C 1.483 177.577 176.094 0.000 0.000 1.179 29 V CA 1.587 63.888 62.300 0.001 0.000 1.174 29 V CB -1.341 30.483 31.823 0.001 0.000 0.794 29 V HN 0.553 nan 8.190 nan 0.000 0.527 30 T N -3.803 110.751 114.554 -0.001 0.000 3.215 30 T HA 0.347 4.697 4.350 -0.000 0.000 0.271 30 T C 0.980 175.677 174.700 -0.004 0.000 1.012 30 T CA 0.165 62.264 62.100 -0.003 0.000 0.899 30 T CB 0.708 69.575 68.868 -0.003 0.000 1.089 30 T HN 0.296 nan 8.240 nan 0.000 0.552 31 L N 2.526 123.747 121.223 -0.003 0.000 2.022 31 L HA 0.498 4.838 4.340 -0.000 0.000 0.204 31 L C 1.635 178.500 176.870 -0.009 0.000 1.076 31 L CA 1.420 56.258 54.840 -0.004 0.000 0.749 31 L CB -1.275 40.783 42.059 -0.001 0.000 0.903 31 L HN 0.439 nan 8.230 nan 0.000 0.439 32 G N -0.471 108.324 108.800 -0.008 0.000 2.794 32 G HA2 0.047 4.007 3.960 -0.000 0.000 0.249 32 G HA3 0.047 4.007 3.960 -0.000 0.000 0.249 32 G C -1.715 173.171 174.900 -0.023 0.000 1.236 32 G CA 0.129 45.219 45.100 -0.017 0.000 0.880 32 G HN 0.408 nan 8.290 nan 0.000 0.586 33 P HA 0.023 nan 4.420 nan 0.000 0.225 33 P C 0.597 177.879 177.300 -0.031 0.000 1.156 33 P CA 1.039 64.116 63.100 -0.038 0.000 0.787 33 P CB 0.405 32.070 31.700 -0.058 0.000 0.802 34 K N 0.701 121.083 120.400 -0.029 0.000 3.109 34 K HA 0.324 4.644 4.320 -0.000 0.000 0.214 34 K C 0.844 177.438 176.600 -0.011 0.000 1.196 34 K CA -0.418 55.857 56.287 -0.019 0.000 1.115 34 K CB 0.566 33.055 32.500 -0.018 0.000 1.103 34 K HN 0.032 nan 8.250 nan 0.000 0.467 35 G N 0.861 109.654 108.800 -0.011 0.000 2.539 35 G HA2 0.153 4.113 3.960 -0.000 0.000 0.258 35 G HA3 0.153 4.113 3.960 -0.000 0.000 0.258 35 G C 0.160 175.057 174.900 -0.004 0.000 1.202 35 G CA -0.563 44.533 45.100 -0.006 0.000 0.851 35 G HN 0.159 nan 8.290 nan 0.000 0.556 36 R N -0.410 120.089 120.500 -0.002 0.000 2.531 36 R HA 0.256 4.596 4.340 -0.000 0.000 0.260 36 R C 0.465 176.764 176.300 -0.002 0.000 1.144 36 R CA -0.517 55.582 56.100 -0.001 0.000 1.171 36 R CB 0.197 30.497 30.300 0.000 0.000 1.199 36 R HN 0.854 nan 8.270 nan 0.000 0.594 37 N N -1.142 117.557 118.700 -0.001 0.000 2.335 37 N HA 0.482 5.222 4.740 -0.000 0.000 0.304 37 N C -0.940 174.570 175.510 -0.000 0.000 1.135 37 N CA -0.796 52.253 53.050 -0.001 0.000 0.817 37 N CB 1.871 40.357 38.487 -0.001 0.000 1.294 37 N HN 0.037 nan 8.380 nan 0.000 0.497 38 V N 0.838 120.752 119.914 -0.000 0.000 2.881 38 V HA 0.413 4.533 4.120 -0.000 0.000 0.316 38 V C -0.109 175.985 176.094 0.001 0.000 1.070 38 V CA -0.804 61.496 62.300 0.000 0.000 0.976 38 V CB 1.996 33.819 31.823 -0.000 0.000 1.038 38 V HN 0.494 nan 8.190 nan 0.000 0.446 39 V N 4.327 124.241 119.914 0.001 0.000 2.378 39 V HA 0.388 4.508 4.120 -0.000 0.000 0.288 39 V C -0.627 175.468 176.094 0.002 0.000 1.016 39 V CA -0.530 61.771 62.300 0.002 0.000 0.840 39 V CB 1.493 33.317 31.823 0.001 0.000 0.994 39 V HN 0.493 nan 8.190 nan 0.000 0.431 40 L N 3.801 125.027 121.223 0.004 0.000 2.272 40 L HA 0.416 4.756 4.340 -0.000 0.000 0.284 40 L C 0.141 177.016 176.870 0.007 0.000 1.045 40 L CA -0.146 54.697 54.840 0.005 0.000 0.842 40 L CB 0.632 42.695 42.059 0.006 0.000 1.224 40 L HN 0.653 nan 8.230 nan 0.000 0.430 41 D N 3.261 123.663 120.400 0.004 0.000 2.455 41 D HA 0.047 4.687 4.640 -0.000 0.000 0.241 41 D C 0.025 176.332 176.300 0.011 0.000 1.138 41 D CA 0.622 54.623 54.000 0.003 0.000 0.877 41 D CB 0.946 41.742 40.800 -0.006 0.000 1.187 41 D HN 0.320 nan 8.370 nan 0.000 0.451 42 K N 1.826 122.239 120.400 0.021 0.000 2.138 42 K HA 0.257 4.577 4.320 -0.000 0.000 0.263 42 K C 0.985 177.603 176.600 0.030 0.000 0.965 42 K CA -0.653 55.663 56.287 0.048 0.000 0.868 42 K CB 1.399 33.942 32.500 0.072 0.000 1.083 42 K HN 0.376 nan 8.250 nan 0.000 0.443 43 S N 1.841 117.567 115.700 0.044 0.000 2.343 43 S HA -0.068 4.402 4.470 -0.000 0.000 0.219 43 S C 0.294 174.761 174.600 -0.222 0.000 1.033 43 S CA 1.203 59.322 58.200 -0.135 0.000 1.014 43 S CB -0.155 62.928 63.200 -0.195 0.000 0.915 43 S HN 0.391 nan 8.310 nan 0.000 0.435 44 F N 1.588 121.534 119.950 -0.006 0.000 2.405 44 F HA 0.619 5.146 4.527 -0.000 0.000 0.355 44 F C 1.137 176.934 175.800 -0.005 0.000 1.121 44 F CA -0.124 57.873 58.000 -0.005 0.000 1.112 44 F CB 0.496 39.493 39.000 -0.005 0.000 1.126 44 F HN 0.437 nan 8.300 nan 0.000 0.481 45 G N 1.347 110.231 108.800 0.140 0.000 2.568 45 G HA2 0.150 4.110 3.960 -0.000 0.000 0.222 45 G HA3 0.150 4.110 3.960 -0.000 0.000 0.222 45 G C -0.510 174.420 174.900 0.049 0.000 1.321 45 G CA -0.654 44.497 45.100 0.086 0.000 0.893 45 G HN 1.096 nan 8.290 nan 0.000 0.569 46 A N 2.009 124.853 122.820 0.040 0.000 2.425 46 A HA 0.681 5.001 4.320 -0.000 0.000 0.249 46 A C -0.691 176.908 177.584 0.025 0.000 1.084 46 A CA 0.135 52.187 52.037 0.026 0.000 0.781 46 A CB -0.127 18.885 19.000 0.020 0.000 1.019 46 A HN 0.914 nan 8.150 nan 0.000 0.490 47 P HA 0.179 nan 4.420 nan 0.000 0.271 47 P C -0.448 176.861 177.300 0.014 0.000 1.244 47 P CA 0.074 63.182 63.100 0.014 0.000 0.793 47 P CB 0.487 32.191 31.700 0.007 0.000 0.984 48 T N 1.623 116.185 114.554 0.013 0.000 2.779 48 T HA 0.508 4.858 4.350 -0.000 0.000 0.280 48 T C 0.298 175.002 174.700 0.007 0.000 0.987 48 T CA -0.338 61.769 62.100 0.011 0.000 0.966 48 T CB 0.295 69.170 68.868 0.012 0.000 0.933 48 T HN 0.201 nan 8.240 nan 0.000 0.442 49 I N 2.571 123.144 120.570 0.005 0.000 2.392 49 I HA 0.656 4.826 4.170 -0.000 0.000 0.295 49 I C 0.543 176.661 176.117 0.002 0.000 0.985 49 I CA -0.462 60.840 61.300 0.003 0.000 1.221 49 I CB 1.893 39.894 38.000 0.002 0.000 1.366 49 I HN 0.544 nan 8.210 nan 0.000 0.467 50 T N 3.722 118.277 114.554 0.001 0.000 2.749 50 T HA 0.358 4.708 4.350 -0.000 0.000 0.310 50 T C -0.530 174.169 174.700 -0.001 0.000 1.496 50 T CA -0.644 61.457 62.100 0.000 0.000 1.006 50 T CB 1.642 70.511 68.868 0.001 0.000 1.457 50 T HN 0.704 nan 8.240 nan 0.000 0.497 51 K N 0.771 121.170 120.400 -0.002 0.000 2.501 51 K HA 0.212 4.532 4.320 -0.000 0.000 0.204 51 K C -0.768 175.829 176.600 -0.004 0.000 1.067 51 K CA -0.282 56.003 56.287 -0.003 0.000 1.060 51 K CB 0.578 33.075 32.500 -0.004 0.000 0.873 51 K HN 0.455 nan 8.250 nan 0.000 0.540 52 D N 0.633 121.032 120.400 -0.003 0.000 2.422 52 D HA 0.102 4.742 4.640 -0.000 0.000 0.227 52 D C 1.280 177.578 176.300 -0.004 0.000 1.190 52 D CA -0.099 53.898 54.000 -0.004 0.000 0.905 52 D CB 0.985 41.783 40.800 -0.003 0.000 1.034 52 D HN 0.207 nan 8.370 nan 0.000 0.507 53 G N 2.540 111.337 108.800 -0.005 0.000 2.574 53 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.220 53 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.220 53 G C 1.631 176.527 174.900 -0.007 0.000 1.173 53 G CA 1.039 46.136 45.100 -0.005 0.000 0.772 53 G HN 0.488 nan 8.290 nan 0.000 0.585 54 V N 0.776 120.685 119.914 -0.008 0.000 2.317 54 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 54 V C 3.135 179.224 176.094 -0.007 0.000 1.065 54 V CA 2.473 64.768 62.300 -0.010 0.000 1.049 54 V CB -0.710 31.107 31.823 -0.011 0.000 0.651 54 V HN 0.411 nan 8.190 nan 0.000 0.450 55 S N -0.702 114.995 115.700 -0.005 0.000 2.345 55 S HA -0.152 4.318 4.470 -0.000 0.000 0.220 55 S C 1.982 176.580 174.600 -0.003 0.000 1.031 55 S CA 1.448 59.646 58.200 -0.003 0.000 0.996 55 S CB -0.219 62.981 63.200 -0.001 0.000 0.882 55 S HN 0.347 nan 8.310 nan 0.000 0.445 56 V N 2.402 122.314 119.914 -0.003 0.000 2.215 56 V HA -0.333 3.787 4.120 -0.000 0.000 0.249 56 V C 2.664 178.756 176.094 -0.005 0.000 1.054 56 V CA 2.066 64.364 62.300 -0.003 0.000 1.012 56 V CB -1.419 30.402 31.823 -0.003 0.000 0.639 56 V HN 0.561 nan 8.190 nan 0.000 0.448 57 A N -0.026 122.790 122.820 -0.006 0.000 1.882 57 A HA -0.413 3.907 4.320 -0.000 0.000 0.220 57 A C 2.343 179.921 177.584 -0.010 0.000 1.253 57 A CA 3.102 55.134 52.037 -0.009 0.000 0.664 57 A CB -0.926 18.067 19.000 -0.012 0.000 0.838 57 A HN 0.566 nan 8.150 nan 0.000 0.460 58 R N -0.692 119.803 120.500 -0.009 0.000 2.178 58 R HA -0.267 4.073 4.340 -0.000 0.000 0.257 58 R C 1.818 178.113 176.300 -0.008 0.000 1.163 58 R CA 2.259 58.354 56.100 -0.009 0.000 0.981 58 R CB -0.257 30.039 30.300 -0.007 0.000 0.878 58 R HN 0.544 nan 8.270 nan 0.000 0.454 59 E N -0.199 119.998 120.200 -0.006 0.000 2.385 59 E HA 0.080 4.430 4.350 -0.000 0.000 0.194 59 E C -0.154 176.442 176.600 -0.006 0.000 1.013 59 E CA 0.080 56.477 56.400 -0.005 0.000 0.866 59 E CB 0.229 29.928 29.700 -0.001 0.000 0.832 59 E HN 0.218 nan 8.360 nan 0.000 0.500 60 I N 2.110 122.676 120.570 -0.007 0.000 2.517 60 I HA 0.116 4.286 4.170 -0.000 0.000 0.285 60 I C 0.168 176.280 176.117 -0.008 0.000 1.106 60 I CA 0.499 61.795 61.300 -0.007 0.000 1.402 60 I CB 0.090 38.086 38.000 -0.006 0.000 1.399 60 I HN 0.086 nan 8.210 nan 0.000 0.535 61 E N 7.552 127.747 120.200 -0.008 0.000 2.415 61 E HA 0.368 4.718 4.350 -0.000 0.000 0.302 61 E C -1.734 174.861 176.600 -0.008 0.000 0.907 61 E CA -0.543 55.851 56.400 -0.010 0.000 0.798 61 E CB 1.362 31.053 29.700 -0.014 0.000 1.315 61 E HN 0.463 nan 8.360 nan 0.000 0.396 62 L N 3.295 124.515 121.223 -0.005 0.000 2.421 62 L HA 0.365 4.705 4.340 -0.000 0.000 0.263 62 L C 1.661 178.527 176.870 -0.007 0.000 1.122 62 L CA -0.378 54.462 54.840 -0.001 0.000 0.804 62 L CB 0.941 43.005 42.059 0.009 0.000 1.150 62 L HN 0.733 nan 8.230 nan 0.000 0.457 63 E N 0.515 120.713 120.200 -0.005 0.000 2.051 63 E HA -0.161 4.189 4.350 -0.000 0.000 0.189 63 E C 0.526 177.119 176.600 -0.012 0.000 0.979 63 E CA 0.356 56.749 56.400 -0.011 0.000 0.803 63 E CB 0.236 29.932 29.700 -0.007 0.000 0.761 63 E HN 0.675 nan 8.360 nan 0.000 0.451 64 D N 1.634 122.038 120.400 0.007 0.000 2.363 64 D HA -0.029 4.611 4.640 -0.000 0.000 0.263 64 D C -0.498 175.808 176.300 0.010 0.000 1.258 64 D CA 0.227 54.241 54.000 0.022 0.000 0.907 64 D CB 0.531 41.367 40.800 0.061 0.000 1.107 64 D HN 0.078 nan 8.370 nan 0.000 0.495 65 K N 2.644 123.001 120.400 -0.070 0.000 2.188 65 K HA 0.051 4.371 4.320 -0.000 0.000 0.246 65 K C 0.717 177.302 176.600 -0.024 0.000 1.026 65 K CA -0.477 55.724 56.287 -0.143 0.000 0.871 65 K CB 0.551 32.853 32.500 -0.330 0.000 1.042 65 K HN 0.369 nan 8.250 nan 0.000 0.509 66 F N -1.180 118.759 119.950 -0.017 0.000 2.530 66 F HA -0.377 4.150 4.527 -0.000 0.000 0.737 66 F C 1.817 177.608 175.800 -0.015 0.000 0.486 66 F CA 1.935 59.923 58.000 -0.019 0.000 0.768 66 F CB -1.382 37.610 39.000 -0.015 0.000 1.622 66 F HN 0.724 nan 8.300 nan 0.000 0.275 67 E N 0.086 120.419 120.200 0.222 0.000 2.038 67 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 67 E C 1.616 178.258 176.600 0.070 0.000 1.000 67 E CA 1.560 58.025 56.400 0.108 0.000 0.803 67 E CB -0.410 29.338 29.700 0.080 0.000 0.750 67 E HN 0.549 nan 8.360 nan 0.000 0.448 68 N N 0.480 119.212 118.700 0.054 0.000 2.104 68 N HA -0.190 4.550 4.740 -0.000 0.000 0.190 68 N C 1.798 177.322 175.510 0.024 0.000 1.024 68 N CA 1.519 54.583 53.050 0.023 0.000 0.853 68 N CB 0.007 38.492 38.487 -0.002 0.000 1.008 68 N HN 0.088 nan 8.380 nan 0.000 0.424 69 M N -0.489 119.137 119.600 0.043 0.000 2.065 69 M HA -0.088 4.392 4.480 -0.000 0.000 0.259 69 M C 2.367 178.688 176.300 0.035 0.000 1.071 69 M CA 1.844 57.168 55.300 0.040 0.000 1.109 69 M CB -1.191 31.457 32.600 0.080 0.000 1.313 69 M HN 0.334 nan 8.290 nan 0.000 0.408 70 G N 0.287 109.116 108.800 0.048 0.000 2.606 70 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.221 70 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.221 70 G C 1.611 176.520 174.900 0.015 0.000 1.152 70 G CA 1.764 46.881 45.100 0.029 0.000 0.765 70 G HN 0.588 nan 8.290 nan 0.000 0.595 71 A N -0.201 122.628 122.820 0.014 0.000 1.845 71 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 71 A C 2.413 179.994 177.584 -0.004 0.000 1.195 71 A CA 2.156 54.196 52.037 0.004 0.000 0.616 71 A CB -0.554 18.449 19.000 0.004 0.000 0.832 71 A HN 0.329 nan 8.150 nan 0.000 0.443 72 Q N -0.504 119.294 119.800 -0.005 0.000 2.152 72 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 72 Q C 2.145 178.134 176.000 -0.019 0.000 0.985 72 Q CA 1.819 57.614 55.803 -0.013 0.000 0.863 72 Q CB -0.624 28.106 28.738 -0.012 0.000 0.904 72 Q HN 0.797 nan 8.270 nan 0.000 0.422 73 M N -0.460 119.133 119.600 -0.012 0.000 2.080 73 M HA -0.168 4.312 4.480 -0.000 0.000 0.260 73 M C 2.301 178.583 176.300 -0.030 0.000 1.068 73 M CA 1.275 56.565 55.300 -0.017 0.000 1.109 73 M CB -0.419 32.178 32.600 -0.005 0.000 1.342 73 M HN -0.016 nan 8.290 nan 0.000 0.405 74 V N 0.544 120.444 119.914 -0.022 0.000 2.244 74 V HA -0.272 3.848 4.120 -0.000 0.000 0.244 74 V C 2.197 178.264 176.094 -0.046 0.000 1.042 74 V CA 1.878 64.162 62.300 -0.028 0.000 1.006 74 V CB -0.775 31.040 31.823 -0.014 0.000 0.641 74 V HN 0.426 nan 8.190 nan 0.000 0.446 75 K N -0.136 120.243 120.400 -0.036 0.000 2.107 75 K HA -0.325 3.994 4.320 -0.000 0.000 0.211 75 K C 2.204 178.765 176.600 -0.065 0.000 1.049 75 K CA 2.281 58.542 56.287 -0.042 0.000 0.927 75 K CB -0.313 32.168 32.500 -0.030 0.000 0.714 75 K HN 0.594 nan 8.250 nan 0.000 0.452 76 E N 0.701 120.860 120.200 -0.068 0.000 2.023 76 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 76 E C 2.048 178.552 176.600 -0.161 0.000 1.003 76 E CA 1.541 57.886 56.400 -0.090 0.000 0.809 76 E CB -0.035 29.621 29.700 -0.073 0.000 0.755 76 E HN 0.161 nan 8.360 nan 0.000 0.449 77 V N 0.601 120.398 119.914 -0.193 0.000 2.453 77 V HA -0.126 3.994 4.120 -0.000 0.000 0.247 77 V C 2.206 178.067 176.094 -0.389 0.000 1.048 77 V CA 1.902 63.977 62.300 -0.375 0.000 1.049 77 V CB -0.303 31.340 31.823 -0.300 0.000 0.672 77 V HN 0.448 nan 8.190 nan 0.000 0.457 78 A N -0.891 121.820 122.820 -0.183 0.000 2.019 78 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 78 A C 2.512 180.033 177.584 -0.105 0.000 1.164 78 A CA 2.169 54.144 52.037 -0.103 0.000 0.644 78 A CB -0.766 18.205 19.000 -0.048 0.000 0.805 78 A HN 0.608 nan 8.150 nan 0.000 0.449 79 S N -0.342 115.282 115.700 -0.126 0.000 2.345 79 S HA -0.145 4.325 4.470 -0.000 0.000 0.219 79 S C 2.008 176.540 174.600 -0.113 0.000 1.031 79 S CA 1.453 59.597 58.200 -0.093 0.000 0.984 79 S CB -0.324 62.830 63.200 -0.077 0.000 0.874 79 S HN 0.591 nan 8.310 nan 0.000 0.451 80 K N 1.200 121.469 120.400 -0.217 0.000 2.127 80 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 80 K C 2.307 178.885 176.600 -0.036 0.000 1.047 80 K CA 1.277 57.430 56.287 -0.224 0.000 0.927 80 K CB -0.537 31.642 32.500 -0.535 0.000 0.716 80 K HN 0.472 nan 8.250 nan 0.000 0.450 81 A N 2.490 125.270 122.820 -0.067 0.000 1.842 81 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 81 A C 2.093 179.760 177.584 0.138 0.000 1.206 81 A CA 1.990 54.212 52.037 0.309 0.000 0.630 81 A CB -0.959 18.194 19.000 0.254 0.000 0.839 81 A HN 0.384 nan 8.150 nan 0.000 0.447 82 N N 0.252 118.974 118.700 0.036 0.000 2.061 82 N HA -0.231 4.509 4.740 -0.000 0.000 0.193 82 N C 1.186 176.681 175.510 -0.024 0.000 1.030 82 N CA 2.127 55.166 53.050 -0.018 0.000 0.856 82 N CB -0.564 37.896 38.487 -0.045 0.000 1.023 82 N HN 0.405 nan 8.380 nan 0.000 0.424 83 D N 0.196 120.597 120.400 0.001 0.000 2.172 83 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 83 D C 0.623 176.949 176.300 0.043 0.000 0.999 83 D CA 1.406 55.415 54.000 0.015 0.000 0.856 83 D CB -0.271 40.540 40.800 0.018 0.000 0.934 83 D HN 0.451 nan 8.370 nan 0.000 0.453 84 A N -1.351 121.518 122.820 0.082 0.000 2.965 84 A HA 0.693 5.013 4.320 -0.000 0.000 0.304 84 A C 0.822 178.438 177.584 0.053 0.000 1.214 84 A CA 0.474 52.560 52.037 0.083 0.000 0.977 84 A CB 0.403 19.476 19.000 0.120 0.000 1.127 84 A HN 0.111 nan 8.150 nan 0.000 0.572 85 A N -2.345 120.484 122.820 0.015 0.000 2.558 85 A HA 0.442 4.762 4.320 -0.000 0.000 0.153 85 A C 1.529 179.069 177.584 -0.073 0.000 1.751 85 A CA 0.938 52.974 52.037 -0.002 0.000 1.222 85 A CB -0.717 18.290 19.000 0.011 0.000 1.413 85 A HN 2.044 nan 8.150 nan 0.000 0.398 86 G N -0.905 107.777 108.800 -0.195 0.000 2.199 86 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.254 86 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.254 86 G C -0.106 174.648 174.900 -0.243 0.000 0.982 86 G CA 0.949 45.777 45.100 -0.452 0.000 0.632 86 G HN 1.116 nan 8.290 nan 0.000 0.529 87 D N -2.921 117.411 120.400 -0.114 0.000 2.809 87 D HA 0.490 5.130 4.640 -0.000 0.000 0.336 87 D C 1.085 177.372 176.300 -0.023 0.000 1.367 87 D CA 1.046 55.010 54.000 -0.061 0.000 0.815 87 D CB 0.568 41.342 40.800 -0.043 0.000 1.381 87 D HN 1.312 nan 8.370 nan 0.000 0.471 88 G N -0.467 108.327 108.800 -0.010 0.000 2.258 88 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.233 88 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.233 88 G C 1.164 176.071 174.900 0.011 0.000 1.006 88 G CA 1.238 46.343 45.100 0.008 0.000 0.620 88 G HN 0.589 nan 8.290 nan 0.000 0.511 89 T N 1.182 115.736 114.554 0.000 0.000 2.656 89 T HA -0.307 4.043 4.350 -0.000 0.000 0.262 89 T C 2.330 177.028 174.700 -0.004 0.000 1.070 89 T CA 3.011 65.108 62.100 -0.007 0.000 1.160 89 T CB -1.000 67.857 68.868 -0.018 0.000 0.855 89 T HN 0.636 nan 8.240 nan 0.000 0.456 90 T N 1.594 116.146 114.554 -0.003 0.000 2.612 90 T HA -0.106 4.244 4.350 -0.000 0.000 0.259 90 T C 2.325 177.028 174.700 0.005 0.000 1.065 90 T CA 1.750 63.849 62.100 -0.001 0.000 1.167 90 T CB -1.060 67.806 68.868 -0.003 0.000 0.863 90 T HN 0.433 nan 8.240 nan 0.000 0.407 91 T N 2.358 116.917 114.554 0.007 0.000 2.624 91 T HA -0.278 4.072 4.350 -0.000 0.000 0.266 91 T C 2.260 176.972 174.700 0.020 0.000 1.050 91 T CA 1.774 63.882 62.100 0.012 0.000 1.163 91 T CB -0.889 67.987 68.868 0.013 0.000 0.861 91 T HN 0.473 nan 8.240 nan 0.000 0.443 92 A N 1.119 123.957 122.820 0.029 0.000 1.869 92 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 92 A C 2.583 180.185 177.584 0.029 0.000 1.203 92 A CA 2.724 54.787 52.037 0.044 0.000 0.638 92 A CB -1.554 17.483 19.000 0.061 0.000 0.831 92 A HN 0.535 nan 8.150 nan 0.000 0.450 93 T N -0.133 114.430 114.554 0.015 0.000 2.624 93 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 93 T C 1.893 176.599 174.700 0.010 0.000 1.041 93 T CA 1.956 64.060 62.100 0.007 0.000 1.159 93 T CB -0.775 68.093 68.868 0.000 0.000 0.863 93 T HN 0.208 nan 8.240 nan 0.000 0.434 94 V N 1.621 121.542 119.914 0.011 0.000 2.231 94 V HA -0.226 3.894 4.120 -0.000 0.000 0.250 94 V C 2.534 178.636 176.094 0.014 0.000 1.058 94 V CA 1.887 64.194 62.300 0.011 0.000 1.022 94 V CB -0.902 30.928 31.823 0.010 0.000 0.640 94 V HN 0.420 nan 8.190 nan 0.000 0.445 95 L N -0.029 121.205 121.223 0.018 0.000 2.017 95 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 95 L C 2.811 179.693 176.870 0.021 0.000 1.073 95 L CA 1.632 56.484 54.840 0.020 0.000 0.745 95 L CB -0.996 41.078 42.059 0.026 0.000 0.894 95 L HN 0.370 nan 8.230 nan 0.000 0.432 96 A N -0.352 122.482 122.820 0.023 0.000 1.909 96 A HA -0.387 3.933 4.320 -0.000 0.000 0.221 96 A C 2.270 179.864 177.584 0.015 0.000 1.223 96 A CA 2.562 54.612 52.037 0.022 0.000 0.658 96 A CB -0.873 18.137 19.000 0.017 0.000 0.831 96 A HN 0.560 nan 8.150 nan 0.000 0.462 97 Q N -0.935 118.872 119.800 0.012 0.000 1.975 97 Q HA -0.135 4.205 4.340 -0.000 0.000 0.205 97 Q C 2.296 178.302 176.000 0.010 0.000 0.990 97 Q CA 1.948 57.757 55.803 0.010 0.000 0.845 97 Q CB -0.472 28.270 28.738 0.008 0.000 0.913 97 Q HN 0.623 nan 8.270 nan 0.000 0.420 98 A N 1.125 123.951 122.820 0.011 0.000 1.887 98 A HA -0.325 3.995 4.320 -0.000 0.000 0.225 98 A C 2.005 179.595 177.584 0.011 0.000 1.464 98 A CA 2.461 54.505 52.037 0.011 0.000 0.717 98 A CB -1.431 17.577 19.000 0.013 0.000 0.848 98 A HN 0.564 nan 8.150 nan 0.000 0.477 99 I N -0.527 120.051 120.570 0.013 0.000 2.058 99 I HA -0.299 3.871 4.170 -0.000 0.000 0.235 99 I C 2.414 178.537 176.117 0.011 0.000 1.053 99 I CA 1.926 63.233 61.300 0.013 0.000 1.313 99 I CB -0.587 37.423 38.000 0.016 0.000 1.039 99 I HN 0.399 nan 8.210 nan 0.000 0.396 100 I N 0.607 121.183 120.570 0.011 0.000 2.182 100 I HA -0.389 3.781 4.170 -0.000 0.000 0.248 100 I C 2.572 178.693 176.117 0.006 0.000 1.073 100 I CA 1.996 63.301 61.300 0.009 0.000 1.335 100 I CB -0.946 37.059 38.000 0.009 0.000 1.031 100 I HN 0.403 nan 8.210 nan 0.000 0.420 101 T N 0.112 114.670 114.554 0.007 0.000 2.595 101 T HA -0.167 4.183 4.350 -0.000 0.000 0.264 101 T C 1.810 176.513 174.700 0.005 0.000 1.058 101 T CA 1.366 63.469 62.100 0.005 0.000 1.166 101 T CB -0.232 68.639 68.868 0.006 0.000 0.863 101 T HN 0.316 nan 8.240 nan 0.000 0.415 102 E N 0.977 121.181 120.200 0.006 0.000 2.007 102 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 102 E C 2.674 179.277 176.600 0.005 0.000 0.999 102 E CA 1.410 57.813 56.400 0.005 0.000 0.811 102 E CB -1.167 28.537 29.700 0.006 0.000 0.762 102 E HN 0.549 nan 8.360 nan 0.000 0.450 103 G N 1.094 109.898 108.800 0.006 0.000 2.485 103 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.221 103 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.221 103 G C 1.500 176.402 174.900 0.004 0.000 1.115 103 G CA 0.646 45.749 45.100 0.006 0.000 0.751 103 G HN 0.148 nan 8.290 nan 0.000 0.567 104 L N -0.183 121.042 121.223 0.003 0.000 2.418 104 L HA 0.268 4.608 4.340 -0.000 0.000 0.218 104 L C 2.570 179.441 176.870 0.000 0.000 1.125 104 L CA 1.099 55.940 54.840 0.001 0.000 0.835 104 L CB -0.162 41.897 42.059 0.000 0.000 0.953 104 L HN 0.162 nan 8.230 nan 0.000 0.454 105 K N -1.061 119.340 120.400 0.001 0.000 2.044 105 K HA 0.010 4.330 4.320 -0.000 0.000 0.204 105 K C 2.131 178.732 176.600 0.001 0.000 1.049 105 K CA 1.050 57.337 56.287 0.001 0.000 0.945 105 K CB -0.242 32.259 32.500 0.002 0.000 0.724 105 K HN 0.278 nan 8.250 nan 0.000 0.440 106 A N 1.779 124.600 122.820 0.002 0.000 1.859 106 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 106 A C 2.472 180.057 177.584 0.002 0.000 1.198 106 A CA 2.394 54.432 52.037 0.002 0.000 0.629 106 A CB -1.296 17.705 19.000 0.003 0.000 0.830 106 A HN 0.197 nan 8.150 nan 0.000 0.446 107 V N -2.078 117.838 119.914 0.002 0.000 2.278 107 V HA -0.216 3.904 4.120 -0.000 0.000 0.251 107 V C 2.524 178.619 176.094 0.001 0.000 1.062 107 V CA 2.347 64.649 62.300 0.002 0.000 1.038 107 V CB -1.693 30.132 31.823 0.003 0.000 0.646 107 V HN 0.655 nan 8.190 nan 0.000 0.447 108 A N 0.053 122.873 122.820 0.000 0.000 2.168 108 A HA 0.441 4.761 4.320 -0.000 0.000 0.215 108 A C 2.279 179.862 177.584 -0.001 0.000 1.152 108 A CA 1.442 53.479 52.037 -0.001 0.000 0.716 108 A CB -0.664 18.334 19.000 -0.002 0.000 0.794 108 A HN 1.007 nan 8.150 nan 0.000 0.465 109 A N -2.085 120.734 122.820 -0.000 0.000 2.132 109 A HA 0.435 4.755 4.320 -0.000 0.000 0.213 109 A C 1.740 179.323 177.584 -0.000 0.000 1.154 109 A CA 1.473 53.510 52.037 -0.000 0.000 0.753 109 A CB -0.281 18.719 19.000 0.000 0.000 0.826 109 A HN 1.555 nan 8.150 nan 0.000 0.469 110 G N -2.034 106.766 108.800 0.000 0.000 2.624 110 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.190 110 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.190 110 G C 0.294 175.195 174.900 0.001 0.000 1.008 110 G CA -0.050 45.050 45.100 -0.000 0.000 0.731 110 G HN 0.261 nan 8.290 nan 0.000 0.478 111 M N 1.506 121.107 119.600 0.001 0.000 2.240 111 M HA 0.207 4.687 4.480 -0.000 0.000 0.317 111 M C 0.745 177.047 176.300 0.003 0.000 1.087 111 M CA -0.071 55.230 55.300 0.002 0.000 1.176 111 M CB 0.228 32.830 32.600 0.002 0.000 1.439 111 M HN 0.289 nan 8.290 nan 0.000 0.452 112 N N 2.144 120.846 118.700 0.003 0.000 2.470 112 N HA 0.125 4.865 4.740 -0.000 0.000 0.268 112 N C -2.260 173.253 175.510 0.005 0.000 1.136 112 N CA -1.445 51.608 53.050 0.004 0.000 0.961 112 N CB 1.261 39.751 38.487 0.004 0.000 1.067 112 N HN 0.244 nan 8.380 nan 0.000 0.468 113 P HA -0.044 nan 4.420 nan 0.000 0.215 113 P C 1.530 178.834 177.300 0.007 0.000 1.157 113 P CA 0.946 64.050 63.100 0.007 0.000 0.859 113 P CB 0.180 31.885 31.700 0.008 0.000 0.786 114 M N -0.146 119.458 119.600 0.007 0.000 2.089 114 M HA -0.202 4.278 4.480 -0.000 0.000 0.257 114 M C 1.421 177.725 176.300 0.007 0.000 1.071 114 M CA 1.854 57.159 55.300 0.007 0.000 1.096 114 M CB -1.261 31.343 32.600 0.007 0.000 1.330 114 M HN -0.133 nan 8.290 nan 0.000 0.403 115 D N -0.656 119.748 120.400 0.006 0.000 2.091 115 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 115 D C 2.141 178.444 176.300 0.006 0.000 0.980 115 D CA 1.308 55.311 54.000 0.005 0.000 0.831 115 D CB -0.439 40.364 40.800 0.005 0.000 0.987 115 D HN 0.344 nan 8.370 nan 0.000 0.460 116 L N 1.075 122.302 121.223 0.006 0.000 2.010 116 L HA -0.279 4.061 4.340 -0.000 0.000 0.219 116 L C 2.623 179.497 176.870 0.007 0.000 1.077 116 L CA 1.613 56.457 54.840 0.006 0.000 0.773 116 L CB -0.613 41.450 42.059 0.006 0.000 0.892 116 L HN 0.062 nan 8.230 nan 0.000 0.436 117 K N 0.461 120.866 120.400 0.008 0.000 1.987 117 K HA -0.289 4.031 4.320 -0.000 0.000 0.216 117 K C 2.309 178.914 176.600 0.008 0.000 1.051 117 K CA 2.018 58.311 56.287 0.009 0.000 0.942 117 K CB -0.220 32.286 32.500 0.010 0.000 0.722 117 K HN 0.083 nan 8.250 nan 0.000 0.444 118 R N -0.167 120.337 120.500 0.007 0.000 2.136 118 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 118 R C 2.383 178.687 176.300 0.005 0.000 1.131 118 R CA 2.226 58.330 56.100 0.006 0.000 0.937 118 R CB -1.017 29.286 30.300 0.005 0.000 0.863 118 R HN 0.512 nan 8.270 nan 0.000 0.435 119 G N 0.857 109.660 108.800 0.005 0.000 2.513 119 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 119 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 119 G C 1.487 176.391 174.900 0.006 0.000 1.160 119 G CA 1.334 46.437 45.100 0.005 0.000 0.767 119 G HN 0.338 nan 8.290 nan 0.000 0.571 120 I N 0.926 121.500 120.570 0.007 0.000 2.058 120 I HA -0.181 3.989 4.170 -0.000 0.000 0.235 120 I C 2.495 178.616 176.117 0.007 0.000 1.053 120 I CA 1.586 62.891 61.300 0.008 0.000 1.313 120 I CB -0.433 37.573 38.000 0.010 0.000 1.039 120 I HN 0.114 nan 8.210 nan 0.000 0.396 121 D N 0.947 121.351 120.400 0.007 0.000 2.200 121 D HA -0.306 4.334 4.640 -0.000 0.000 0.192 121 D C 1.950 178.252 176.300 0.002 0.000 1.008 121 D CA 1.756 55.758 54.000 0.005 0.000 0.872 121 D CB -0.399 40.404 40.800 0.005 0.000 0.923 121 D HN 0.385 nan 8.370 nan 0.000 0.447 122 K N 0.832 121.233 120.400 0.003 0.000 1.978 122 K HA -0.173 4.147 4.320 -0.000 0.000 0.214 122 K C 2.232 178.833 176.600 0.002 0.000 1.049 122 K CA 1.608 57.896 56.287 0.002 0.000 0.939 122 K CB -0.226 32.276 32.500 0.002 0.000 0.721 122 K HN 0.041 nan 8.250 nan 0.000 0.441 123 A N 0.824 123.646 122.820 0.003 0.000 1.896 123 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 123 A C 2.297 179.883 177.584 0.003 0.000 1.206 123 A CA 2.394 54.434 52.037 0.004 0.000 0.647 123 A CB -1.123 17.881 19.000 0.006 0.000 0.828 123 A HN 0.239 nan 8.150 nan 0.000 0.455 124 V N -0.442 119.474 119.914 0.002 0.000 2.214 124 V HA -0.307 3.813 4.120 -0.000 0.000 0.245 124 V C 2.653 178.744 176.094 -0.005 0.000 1.047 124 V CA 2.681 64.980 62.300 -0.001 0.000 0.998 124 V CB -1.678 30.144 31.823 -0.002 0.000 0.633 124 V HN 0.656 nan 8.190 nan 0.000 0.446 125 T N 0.633 115.183 114.554 -0.006 0.000 2.602 125 T HA -0.387 3.963 4.350 -0.000 0.000 0.264 125 T C 1.956 176.653 174.700 -0.006 0.000 1.085 125 T CA 2.539 64.634 62.100 -0.008 0.000 1.164 125 T CB -0.745 68.120 68.868 -0.006 0.000 0.860 125 T HN 0.645 nan 8.240 nan 0.000 0.442 126 A N 1.424 124.243 122.820 -0.002 0.000 1.858 126 A HA 0.153 4.473 4.320 -0.000 0.000 0.216 126 A C 2.726 180.310 177.584 0.000 0.000 1.190 126 A CA 2.193 54.230 52.037 -0.000 0.000 0.617 126 A CB -1.313 17.689 19.000 0.002 0.000 0.827 126 A HN 0.592 nan 8.150 nan 0.000 0.443 127 A N -0.537 122.284 122.820 0.001 0.000 1.940 127 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 127 A C 2.188 179.771 177.584 -0.001 0.000 1.176 127 A CA 1.889 53.927 52.037 0.002 0.000 0.631 127 A CB -0.986 18.016 19.000 0.004 0.000 0.814 127 A HN 0.473 nan 8.150 nan 0.000 0.446 128 V N -0.291 119.620 119.914 -0.006 0.000 2.407 128 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 128 V C 2.512 178.602 176.094 -0.007 0.000 1.055 128 V CA 2.332 64.626 62.300 -0.010 0.000 1.049 128 V CB -0.790 31.021 31.823 -0.019 0.000 0.662 128 V HN 0.537 nan 8.190 nan 0.000 0.455 129 E N 0.228 120.425 120.200 -0.004 0.000 2.017 129 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 129 E C 2.328 178.929 176.600 0.001 0.000 0.997 129 E CA 1.102 57.501 56.400 -0.002 0.000 0.804 129 E CB -0.353 29.346 29.700 -0.001 0.000 0.757 129 E HN 0.508 nan 8.360 nan 0.000 0.448 130 E N 0.133 120.336 120.200 0.004 0.000 2.136 130 E HA -0.249 4.101 4.350 -0.000 0.000 0.202 130 E C 2.137 178.742 176.600 0.008 0.000 1.019 130 E CA 0.905 57.310 56.400 0.007 0.000 0.819 130 E CB -0.426 29.279 29.700 0.009 0.000 0.739 130 E HN 0.169 nan 8.360 nan 0.000 0.458 131 L N 1.409 122.635 121.223 0.006 0.000 2.012 131 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 131 L C 2.250 179.124 176.870 0.006 0.000 1.073 131 L CA 1.819 56.662 54.840 0.006 0.000 0.748 131 L CB -0.369 41.691 42.059 0.001 0.000 0.891 131 L HN 0.054 nan 8.230 nan 0.000 0.431 132 K N -1.038 119.364 120.400 0.003 0.000 2.044 132 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 132 K C 2.080 178.684 176.600 0.007 0.000 1.049 132 K CA 1.486 57.775 56.287 0.003 0.000 0.927 132 K CB -0.507 31.993 32.500 0.001 0.000 0.713 132 K HN 0.398 nan 8.250 nan 0.000 0.443 133 A N 1.865 124.689 122.820 0.007 0.000 1.841 133 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 133 A C 2.188 179.780 177.584 0.013 0.000 1.199 133 A CA 1.484 53.527 52.037 0.010 0.000 0.621 133 A CB -0.816 18.190 19.000 0.010 0.000 0.835 133 A HN 0.253 nan 8.150 nan 0.000 0.445 134 L N 0.628 121.860 121.223 0.015 0.000 2.081 134 L HA -0.056 4.284 4.340 -0.000 0.000 0.212 134 L C 1.575 178.456 176.870 0.018 0.000 1.080 134 L CA 1.761 56.612 54.840 0.019 0.000 0.754 134 L CB -0.967 41.105 42.059 0.021 0.000 0.893 134 L HN 0.336 nan 8.230 nan 0.000 0.433 135 S N -0.636 115.072 115.700 0.014 0.000 2.626 135 S HA 0.079 4.549 4.470 -0.000 0.000 0.303 135 S C -0.154 174.454 174.600 0.014 0.000 1.256 135 S CA -0.383 57.825 58.200 0.013 0.000 1.069 135 S CB -0.148 63.057 63.200 0.009 0.000 0.807 135 S HN 0.127 nan 8.310 nan 0.000 0.500 136 V N 9.190 129.113 119.914 0.015 0.000 2.370 136 V HA 0.356 4.476 4.120 -0.000 0.000 0.283 136 V C -1.863 174.239 176.094 0.013 0.000 1.023 136 V CA -1.860 60.449 62.300 0.015 0.000 0.857 136 V CB 1.080 32.913 31.823 0.017 0.000 0.985 136 V HN 0.763 nan 8.190 nan 0.000 0.443 137 P HA 0.013 nan 4.420 nan 0.000 0.271 137 P C -0.507 176.800 177.300 0.012 0.000 1.228 137 P CA -0.022 63.085 63.100 0.012 0.000 0.797 137 P CB 0.345 32.052 31.700 0.011 0.000 0.914 138 C N 1.108 120.416 119.300 0.012 0.000 3.102 138 C HA 0.512 4.972 4.460 -0.000 0.000 0.363 138 C C 0.831 175.828 174.990 0.012 0.000 1.048 138 C CA 0.377 59.402 59.018 0.012 0.000 1.330 138 C CB -0.762 26.986 27.740 0.013 0.000 1.771 138 C HN 0.625 nan 8.230 nan 0.000 0.526 139 S N 2.751 118.458 115.700 0.011 0.000 3.608 139 S HA 0.211 4.681 4.470 -0.000 0.000 0.234 139 S C 0.193 174.798 174.600 0.009 0.000 1.077 139 S CA 0.748 58.954 58.200 0.010 0.000 0.827 139 S CB -0.215 62.991 63.200 0.010 0.000 0.964 139 S HN 0.946 nan 8.310 nan 0.000 0.547 140 D N 1.963 122.368 120.400 0.008 0.000 2.443 140 D HA 0.108 4.748 4.640 -0.000 0.000 0.234 140 D C 0.805 177.109 176.300 0.007 0.000 1.172 140 D CA 0.408 54.412 54.000 0.007 0.000 0.878 140 D CB 0.277 41.081 40.800 0.007 0.000 1.204 140 D HN 0.140 nan 8.370 nan 0.000 0.453 141 S N 0.398 116.102 115.700 0.006 0.000 2.462 141 S HA -0.212 4.258 4.470 -0.000 0.000 0.243 141 S C 1.512 176.115 174.600 0.005 0.000 1.003 141 S CA 1.276 59.479 58.200 0.005 0.000 0.970 141 S CB -0.276 62.926 63.200 0.004 0.000 0.762 141 S HN 0.639 nan 8.310 nan 0.000 0.510 142 K N 1.632 122.035 120.400 0.005 0.000 1.973 142 K HA -0.039 4.281 4.320 -0.000 0.000 0.210 142 K C 2.325 178.929 176.600 0.007 0.000 1.045 142 K CA 1.220 57.510 56.287 0.006 0.000 0.937 142 K CB -0.458 32.046 32.500 0.006 0.000 0.721 142 K HN 0.263 nan 8.250 nan 0.000 0.438 143 A N 1.609 124.433 122.820 0.008 0.000 1.986 143 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 143 A C 2.047 179.636 177.584 0.009 0.000 1.171 143 A CA 1.452 53.494 52.037 0.009 0.000 0.640 143 A CB -0.571 18.435 19.000 0.010 0.000 0.811 143 A HN 0.354 nan 8.150 nan 0.000 0.451 144 I N -0.149 120.425 120.570 0.008 0.000 2.133 144 I HA -0.214 3.956 4.170 -0.000 0.000 0.238 144 I C 2.953 179.074 176.117 0.007 0.000 1.074 144 I CA 1.537 62.842 61.300 0.008 0.000 1.342 144 I CB -1.740 36.264 38.000 0.007 0.000 1.053 144 I HN 0.350 nan 8.210 nan 0.000 0.404 145 A N -0.024 122.799 122.820 0.005 0.000 1.972 145 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 145 A C 2.214 179.801 177.584 0.005 0.000 1.169 145 A CA 1.705 53.745 52.037 0.004 0.000 0.635 145 A CB -0.578 18.424 19.000 0.003 0.000 0.810 145 A HN 0.480 nan 8.150 nan 0.000 0.446 146 Q N 0.108 119.912 119.800 0.006 0.000 1.857 146 Q HA -0.177 4.163 4.340 -0.000 0.000 0.237 146 Q C 2.049 178.053 176.000 0.007 0.000 1.004 146 Q CA 2.884 58.691 55.803 0.006 0.000 0.881 146 Q CB -1.047 27.696 28.738 0.008 0.000 0.946 146 Q HN 0.548 nan 8.270 nan 0.000 0.421 147 V N 0.479 120.398 119.914 0.009 0.000 2.370 147 V HA -0.229 3.891 4.120 -0.000 0.000 0.252 147 V C 1.835 177.936 176.094 0.011 0.000 1.068 147 V CA 2.909 65.215 62.300 0.010 0.000 1.061 147 V CB -1.347 30.484 31.823 0.013 0.000 0.656 147 V HN 0.581 nan 8.190 nan 0.000 0.455 148 G N 0.022 108.828 108.800 0.010 0.000 2.552 148 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.216 148 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.216 148 G C 1.772 176.676 174.900 0.007 0.000 1.240 148 G CA 2.406 47.511 45.100 0.009 0.000 0.796 148 G HN 0.761 nan 8.290 nan 0.000 0.568 149 T N 0.226 114.783 114.554 0.004 0.000 2.760 149 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 149 T C 2.352 177.053 174.700 0.002 0.000 1.047 149 T CA 1.621 63.723 62.100 0.003 0.000 1.139 149 T CB -0.384 68.485 68.868 0.002 0.000 0.855 149 T HN 0.319 nan 8.240 nan 0.000 0.471 150 I N 1.206 121.777 120.570 0.003 0.000 2.133 150 I HA -0.107 4.063 4.170 -0.000 0.000 0.238 150 I C 3.037 179.155 176.117 0.002 0.000 1.074 150 I CA 1.436 62.736 61.300 0.001 0.000 1.342 150 I CB -0.737 37.264 38.000 0.001 0.000 1.053 150 I HN 0.314 nan 8.210 nan 0.000 0.404 151 S N 0.701 116.405 115.700 0.007 0.000 2.442 151 S HA -0.081 4.389 4.470 -0.000 0.000 0.236 151 S C 1.898 176.505 174.600 0.011 0.000 1.007 151 S CA 1.193 59.400 58.200 0.011 0.000 0.965 151 S CB -0.219 62.993 63.200 0.021 0.000 0.773 151 S HN 0.462 nan 8.310 nan 0.000 0.504 152 A N 1.027 123.852 122.820 0.008 0.000 2.238 152 A HA 0.284 4.604 4.320 -0.000 0.000 0.208 152 A C 0.697 178.282 177.584 0.002 0.000 1.177 152 A CA 0.399 52.440 52.037 0.006 0.000 0.804 152 A CB -0.840 18.163 19.000 0.004 0.000 0.823 152 A HN 0.817 nan 8.150 nan 0.000 0.482 153 N N -0.843 117.857 118.700 -0.000 0.000 2.765 153 N HA -0.230 4.510 4.740 -0.000 0.000 0.254 153 N C 0.370 175.877 175.510 -0.005 0.000 1.094 153 N CA 0.305 53.353 53.050 -0.004 0.000 0.680 153 N CB -1.111 37.373 38.487 -0.005 0.000 0.902 153 N HN 0.351 nan 8.380 nan 0.000 0.557 154 S N -1.324 114.374 115.700 -0.005 0.000 2.025 154 S HA -0.276 4.194 4.470 -0.000 0.000 0.231 154 S C 0.028 174.626 174.600 -0.003 0.000 1.075 154 S CA 1.411 59.608 58.200 -0.004 0.000 1.586 154 S CB -0.955 62.241 63.200 -0.007 0.000 2.055 154 S HN 0.833 nan 8.310 nan 0.000 0.569 155 D N 2.694 123.092 120.400 -0.002 0.000 2.433 155 D HA 0.021 4.661 4.640 -0.000 0.000 0.274 155 D C 1.052 177.351 176.300 -0.001 0.000 1.344 155 D CA 0.621 54.620 54.000 -0.002 0.000 0.989 155 D CB 0.298 41.097 40.800 -0.002 0.000 1.116 155 D HN 0.614 nan 8.370 nan 0.000 0.533 156 E N 1.414 121.614 120.200 -0.001 0.000 2.072 156 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 156 E C 2.021 178.620 176.600 -0.001 0.000 0.985 156 E CA 1.559 57.959 56.400 -0.000 0.000 0.801 156 E CB -0.037 29.663 29.700 -0.000 0.000 0.750 156 E HN 0.695 nan 8.360 nan 0.000 0.452 157 T N -0.445 114.108 114.554 -0.001 0.000 2.721 157 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 157 T C 2.048 176.747 174.700 -0.002 0.000 1.038 157 T CA 1.557 63.656 62.100 -0.002 0.000 1.145 157 T CB -0.728 68.138 68.868 -0.003 0.000 0.858 157 T HN -0.039 nan 8.240 nan 0.000 0.459 158 V N 2.306 122.219 119.914 -0.002 0.000 2.216 158 V HA 0.029 4.149 4.120 -0.000 0.000 0.243 158 V C 3.204 179.297 176.094 -0.002 0.000 1.044 158 V CA 1.915 64.214 62.300 -0.002 0.000 0.995 158 V CB -1.672 30.151 31.823 -0.001 0.000 0.633 158 V HN 0.641 nan 8.190 nan 0.000 0.446 159 G N -0.188 108.612 108.800 0.000 0.000 2.562 159 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.223 159 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.223 159 G C 1.553 176.453 174.900 0.000 0.000 1.102 159 G CA 1.557 46.658 45.100 0.001 0.000 0.742 159 G HN 0.556 nan 8.290 nan 0.000 0.587 160 K N -0.245 120.155 120.400 -0.001 0.000 1.965 160 K HA -0.092 4.228 4.320 -0.000 0.000 0.220 160 K C 2.488 179.086 176.600 -0.002 0.000 1.046 160 K CA 1.438 57.724 56.287 -0.001 0.000 0.974 160 K CB -0.409 32.090 32.500 -0.002 0.000 0.738 160 K HN 0.146 nan 8.250 nan 0.000 0.444 161 L N 1.630 122.851 121.223 -0.004 0.000 2.064 161 L HA -0.250 4.090 4.340 -0.000 0.000 0.216 161 L C 2.348 179.214 176.870 -0.006 0.000 1.077 161 L CA 1.694 56.530 54.840 -0.006 0.000 0.766 161 L CB -0.675 41.379 42.059 -0.007 0.000 0.890 161 L HN 0.378 nan 8.230 nan 0.000 0.435 162 I N -0.841 119.725 120.570 -0.006 0.000 2.151 162 I HA -0.367 3.803 4.170 -0.000 0.000 0.243 162 I C 2.636 178.751 176.117 -0.004 0.000 1.080 162 I CA 1.453 62.749 61.300 -0.007 0.000 1.339 162 I CB -0.708 37.290 38.000 -0.004 0.000 1.039 162 I HN 0.291 nan 8.210 nan 0.000 0.409 163 A N 0.555 123.374 122.820 -0.002 0.000 1.873 163 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 163 A C 2.212 179.795 177.584 -0.001 0.000 1.186 163 A CA 1.662 53.699 52.037 0.000 0.000 0.616 163 A CB -0.634 18.367 19.000 0.001 0.000 0.823 163 A HN 0.458 nan 8.150 nan 0.000 0.442 164 E N 0.017 120.216 120.200 -0.002 0.000 2.049 164 E HA -0.194 4.156 4.350 -0.000 0.000 0.198 164 E C 2.356 178.954 176.600 -0.003 0.000 1.007 164 E CA 1.057 57.455 56.400 -0.003 0.000 0.809 164 E CB -0.439 29.259 29.700 -0.003 0.000 0.749 164 E HN 0.602 nan 8.360 nan 0.000 0.450 165 A N 1.844 124.660 122.820 -0.005 0.000 1.862 165 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 165 A C 2.270 179.851 177.584 -0.005 0.000 1.251 165 A CA 2.421 54.454 52.037 -0.007 0.000 0.673 165 A CB -0.936 18.058 19.000 -0.010 0.000 0.843 165 A HN 0.197 nan 8.150 nan 0.000 0.458 166 M N -1.042 118.556 119.600 -0.004 0.000 2.331 166 M HA -0.205 4.275 4.480 -0.000 0.000 0.260 166 M C 1.583 177.883 176.300 0.000 0.000 1.072 166 M CA 1.951 57.251 55.300 -0.001 0.000 1.065 166 M CB -0.676 31.924 32.600 0.001 0.000 1.392 166 M HN 0.588 nan 8.290 nan 0.000 0.427 167 D N 0.226 120.626 120.400 -0.000 0.000 2.347 167 D HA -0.073 4.567 4.640 -0.000 0.000 0.215 167 D C 1.926 178.226 176.300 -0.000 0.000 0.976 167 D CA 0.848 54.849 54.000 0.000 0.000 0.884 167 D CB 0.373 41.173 40.800 0.000 0.000 0.915 167 D HN 0.105 nan 8.370 nan 0.000 0.526 168 K N -0.423 119.976 120.400 -0.002 0.000 2.159 168 K HA 0.110 4.430 4.320 -0.000 0.000 0.210 168 K C 1.359 177.958 176.600 -0.002 0.000 1.026 168 K CA 0.359 56.645 56.287 -0.002 0.000 0.959 168 K CB -0.632 31.866 32.500 -0.004 0.000 0.890 168 K HN 0.017 nan 8.250 nan 0.000 0.459 169 V N 1.018 120.931 119.914 -0.002 0.000 3.514 169 V HA 0.216 4.336 4.120 -0.000 0.000 0.301 169 V C 0.120 176.214 176.094 -0.000 0.000 1.346 169 V CA 0.809 63.108 62.300 -0.002 0.000 1.156 169 V CB -0.755 31.067 31.823 -0.002 0.000 1.029 169 V HN 0.635 nan 8.190 nan 0.000 0.428 170 G N 0.795 109.596 108.800 0.001 0.000 2.796 170 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.571 170 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.571 170 G C 0.267 175.170 174.900 0.005 0.000 1.370 170 G CA 0.133 45.234 45.100 0.003 0.000 0.856 170 G HN 0.349 nan 8.290 nan 0.000 0.538 171 K N 0.010 120.414 120.400 0.008 0.000 2.097 171 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 171 K C 1.869 178.476 176.600 0.011 0.000 1.050 171 K CA 1.820 58.113 56.287 0.010 0.000 0.938 171 K CB 0.003 32.510 32.500 0.013 0.000 0.718 171 K HN 0.414 nan 8.250 nan 0.000 0.442 172 E N 0.273 120.481 120.200 0.013 0.000 2.479 172 E HA 0.072 4.422 4.350 -0.000 0.000 0.193 172 E C 0.554 177.162 176.600 0.012 0.000 1.049 172 E CA -0.088 56.322 56.400 0.016 0.000 0.870 172 E CB 0.293 30.005 29.700 0.020 0.000 0.944 172 E HN 0.295 nan 8.360 nan 0.000 0.492 173 G N 0.022 108.826 108.800 0.007 0.000 2.750 173 G HA2 0.167 4.127 3.960 -0.000 0.000 0.250 173 G HA3 0.167 4.127 3.960 -0.000 0.000 0.250 173 G C -0.245 174.657 174.900 0.004 0.000 1.230 173 G CA -0.468 44.635 45.100 0.005 0.000 0.883 173 G HN 0.059 nan 8.290 nan 0.000 0.573 174 V N 1.043 120.960 119.914 0.004 0.000 2.333 174 V HA 0.326 4.446 4.120 -0.000 0.000 0.274 174 V C -0.360 175.728 176.094 -0.010 0.000 1.028 174 V CA -0.341 61.960 62.300 0.001 0.000 0.851 174 V CB 0.737 32.567 31.823 0.012 0.000 1.000 174 V HN 0.437 nan 8.190 nan 0.000 0.456 175 I N 4.903 125.460 120.570 -0.022 0.000 2.474 175 I HA 0.716 4.886 4.170 -0.000 0.000 0.294 175 I C 0.501 176.593 176.117 -0.041 0.000 1.005 175 I CA 0.050 61.333 61.300 -0.029 0.000 1.113 175 I CB 2.215 40.196 38.000 -0.031 0.000 1.289 175 I HN 0.757 nan 8.210 nan 0.000 0.436 176 T N 2.114 116.646 114.554 -0.038 0.000 2.831 176 T HA 0.929 5.279 4.350 -0.000 0.000 0.287 176 T C -0.807 173.869 174.700 -0.039 0.000 1.070 176 T CA -0.792 61.282 62.100 -0.044 0.000 1.010 176 T CB 1.706 70.550 68.868 -0.039 0.000 1.264 176 T HN 0.257 nan 8.240 nan 0.000 0.532 177 V N 0.684 120.575 119.914 -0.038 0.000 2.841 177 V HA 0.663 4.783 4.120 -0.000 0.000 0.310 177 V C -0.869 175.209 176.094 -0.027 0.000 1.090 177 V CA -0.865 61.416 62.300 -0.031 0.000 0.930 177 V CB 1.812 33.616 31.823 -0.032 0.000 1.014 177 V HN 1.071 nan 8.190 nan 0.000 0.425 178 E N 1.122 121.308 120.200 -0.022 0.000 2.416 178 E HA 0.494 4.844 4.350 -0.000 0.000 0.273 178 E C -1.755 174.834 176.600 -0.017 0.000 0.935 178 E CA -1.080 55.307 56.400 -0.021 0.000 0.784 178 E CB 2.075 31.763 29.700 -0.021 0.000 1.301 178 E HN 0.704 nan 8.360 nan 0.000 0.454 179 D N 0.664 121.054 120.400 -0.016 0.000 2.414 179 D HA 0.273 4.913 4.640 -0.000 0.000 0.242 179 D C 0.136 176.428 176.300 -0.013 0.000 1.129 179 D CA 0.322 54.314 54.000 -0.014 0.000 0.885 179 D CB 0.700 41.492 40.800 -0.013 0.000 1.198 179 D HN 0.462 nan 8.370 nan 0.000 0.437 180 G N -0.023 108.770 108.800 -0.012 0.000 2.483 180 G HA2 0.257 4.217 3.960 -0.000 0.000 0.248 180 G HA3 0.257 4.217 3.960 -0.000 0.000 0.248 180 G C 1.167 176.060 174.900 -0.011 0.000 1.248 180 G CA -0.269 44.824 45.100 -0.011 0.000 0.838 180 G HN 0.541 nan 8.290 nan 0.000 0.566 181 T N -0.174 114.374 114.554 -0.010 0.000 2.937 181 T HA 0.253 4.603 4.350 -0.000 0.000 0.260 181 T C 1.373 176.068 174.700 -0.009 0.000 1.051 181 T CA 1.076 63.170 62.100 -0.010 0.000 1.141 181 T CB 0.033 68.895 68.868 -0.010 0.000 0.879 181 T HN 0.736 nan 8.240 nan 0.000 0.459 182 G N 0.610 109.405 108.800 -0.008 0.000 3.211 182 G HA2 0.531 4.491 3.960 -0.000 0.000 0.167 182 G HA3 0.531 4.491 3.960 -0.000 0.000 0.167 182 G C 0.195 175.091 174.900 -0.007 0.000 1.212 182 G CA -0.149 44.947 45.100 -0.007 0.000 0.928 182 G HN 0.241 nan 8.290 nan 0.000 0.607 183 L N -0.790 120.429 121.223 -0.006 0.000 2.416 183 L HA 0.373 4.713 4.340 -0.000 0.000 0.216 183 L C 0.825 177.692 176.870 -0.006 0.000 1.098 183 L CA 0.594 55.431 54.840 -0.006 0.000 0.840 183 L CB -0.318 41.738 42.059 -0.005 0.000 0.981 183 L HN 0.202 nan 8.230 nan 0.000 0.462 184 Q N 1.218 121.015 119.800 -0.006 0.000 2.299 184 Q HA 0.168 4.508 4.340 -0.000 0.000 0.246 184 Q C -0.772 175.224 176.000 -0.007 0.000 0.935 184 Q CA -0.225 55.575 55.803 -0.006 0.000 0.887 184 Q CB 0.976 29.710 28.738 -0.006 0.000 1.223 184 Q HN 0.234 nan 8.270 nan 0.000 0.439 185 D N 1.687 122.083 120.400 -0.006 0.000 2.341 185 D HA 0.212 4.852 4.640 -0.000 0.000 0.245 185 D C -0.338 175.957 176.300 -0.008 0.000 1.106 185 D CA 0.166 54.161 54.000 -0.007 0.000 0.905 185 D CB 0.844 41.640 40.800 -0.007 0.000 1.202 185 D HN 0.274 nan 8.370 nan 0.000 0.426 186 E N 0.545 120.740 120.200 -0.009 0.000 2.275 186 E HA 0.458 4.808 4.350 -0.000 0.000 0.270 186 E C -0.931 175.663 176.600 -0.010 0.000 0.882 186 E CA -0.698 55.697 56.400 -0.009 0.000 0.758 186 E CB 2.553 32.248 29.700 -0.009 0.000 1.195 186 E HN 0.206 nan 8.360 nan 0.000 0.419 187 L N 3.502 124.719 121.223 -0.009 0.000 2.343 187 L HA 0.503 4.843 4.340 -0.000 0.000 0.278 187 L C -1.547 175.318 176.870 -0.009 0.000 0.996 187 L CA -0.434 54.401 54.840 -0.009 0.000 0.831 187 L CB 0.819 42.873 42.059 -0.008 0.000 1.232 187 L HN 0.530 nan 8.230 nan 0.000 0.413 188 D N 4.064 124.458 120.400 -0.010 0.000 2.671 188 D HA 0.451 5.091 4.640 -0.000 0.000 0.232 188 D C -0.893 175.402 176.300 -0.008 0.000 1.114 188 D CA -0.155 53.840 54.000 -0.009 0.000 0.858 188 D CB 3.011 43.806 40.800 -0.009 0.000 1.544 188 D HN 0.326 nan 8.370 nan 0.000 0.471 189 V N -0.731 119.179 119.914 -0.007 0.000 2.384 189 V HA 0.781 4.901 4.120 -0.000 0.000 0.287 189 V C -0.268 175.823 176.094 -0.005 0.000 1.020 189 V CA -0.596 61.700 62.300 -0.006 0.000 0.850 189 V CB 1.392 33.212 31.823 -0.005 0.000 0.987 189 V HN 0.311 nan 8.190 nan 0.000 0.436 190 V N 3.314 123.225 119.914 -0.005 0.000 3.078 190 V HA 0.554 4.674 4.120 -0.000 0.000 0.311 190 V C 1.013 177.106 176.094 -0.001 0.000 1.138 190 V CA -0.388 61.909 62.300 -0.004 0.000 1.007 190 V CB 2.513 34.332 31.823 -0.006 0.000 1.045 190 V HN 0.921 nan 8.190 nan 0.000 0.432 191 E N 2.478 122.678 120.200 -0.000 0.000 2.448 191 E HA -0.017 4.333 4.350 -0.000 0.000 0.203 191 E C 1.175 177.779 176.600 0.007 0.000 1.046 191 E CA 0.876 57.278 56.400 0.003 0.000 0.871 191 E CB -0.686 29.016 29.700 0.002 0.000 0.790 191 E HN 0.864 nan 8.360 nan 0.000 0.545 192 G N 1.044 109.840 108.800 -0.007 0.000 2.883 192 G HA2 0.079 4.039 3.960 -0.000 0.000 0.309 192 G HA3 0.079 4.039 3.960 -0.000 0.000 0.309 192 G C 0.250 175.148 174.900 -0.002 0.000 1.278 192 G CA 0.350 45.444 45.100 -0.010 0.000 1.103 192 G HN 0.244 nan 8.290 nan 0.000 0.676 193 M N -1.949 117.646 119.600 -0.008 0.000 2.949 193 M HA 0.527 5.007 4.480 -0.000 0.000 0.270 193 M C -1.715 174.559 176.300 -0.042 0.000 1.221 193 M CA -0.755 54.548 55.300 0.006 0.000 0.818 193 M CB 1.915 34.549 32.600 0.058 0.000 1.635 193 M HN 0.747 nan 8.290 nan 0.000 0.492 194 Q N 1.710 121.491 119.800 -0.031 0.000 2.578 194 Q HA 0.657 4.997 4.340 -0.000 0.000 0.284 194 Q C -2.329 173.658 176.000 -0.023 0.000 0.960 194 Q CA -0.637 55.075 55.803 -0.152 0.000 0.809 194 Q CB 2.713 31.385 28.738 -0.110 0.000 1.462 194 Q HN 0.662 nan 8.270 nan 0.000 0.392 195 F N -0.783 119.175 119.950 0.014 0.000 2.688 195 F HA 0.430 4.957 4.527 -0.000 0.000 0.308 195 F C -1.548 174.263 175.800 0.019 0.000 1.117 195 F CA -1.300 56.710 58.000 0.017 0.000 0.976 195 F CB 0.717 39.729 39.000 0.020 0.000 1.291 195 F HN 0.299 nan 8.300 nan 0.000 0.439 196 D N 2.777 123.367 120.400 0.317 0.000 2.367 196 D HA 0.426 5.066 4.640 -0.000 0.000 0.255 196 D C -0.417 176.043 176.300 0.266 0.000 1.300 196 D CA 0.610 54.734 54.000 0.207 0.000 0.959 196 D CB 0.298 41.176 40.800 0.130 0.000 1.064 196 D HN 0.579 nan 8.370 nan 0.000 0.509 197 R N 0.860 121.514 120.500 0.256 0.000 2.725 197 R HA 0.481 4.821 4.340 -0.000 0.000 0.276 197 R C -0.263 176.109 176.300 0.120 0.000 1.189 197 R CA -0.475 55.765 56.100 0.233 0.000 1.083 197 R CB 1.228 31.791 30.300 0.439 0.000 1.262 197 R HN 0.381 nan 8.270 nan 0.000 0.415 198 G N 1.726 110.520 108.800 -0.010 0.000 2.488 198 G HA2 0.392 4.352 3.960 -0.000 0.000 0.318 198 G HA3 0.392 4.352 3.960 -0.000 0.000 0.318 198 G C -0.712 174.119 174.900 -0.115 0.000 1.188 198 G CA -0.563 44.433 45.100 -0.173 0.000 0.944 198 G HN 0.513 nan 8.290 nan 0.000 0.495 199 Y N -1.136 119.243 120.300 0.131 0.000 2.652 199 Y HA 0.297 4.847 4.550 -0.000 0.000 0.344 199 Y C 0.548 176.511 175.900 0.105 0.000 1.254 199 Y CA -1.152 57.059 58.100 0.184 0.000 1.480 199 Y CB 0.237 38.836 38.460 0.233 0.000 1.345 199 Y HN 0.099 nan 8.280 nan 0.000 0.617 200 L N 2.280 123.722 121.223 0.365 0.000 2.783 200 L HA 0.333 4.673 4.340 -0.000 0.000 0.236 200 L C 0.173 177.053 176.870 0.016 0.000 1.225 200 L CA 0.331 55.277 54.840 0.176 0.000 1.026 200 L CB -0.903 41.240 42.059 0.139 0.000 1.314 200 L HN 0.732 nan 8.230 nan 0.000 0.489 201 S N -1.554 114.164 115.700 0.030 0.000 2.546 201 S HA 0.310 4.780 4.470 -0.000 0.000 0.303 201 S C -2.371 171.881 174.600 -0.580 0.000 1.067 201 S CA -0.559 57.406 58.200 -0.391 0.000 0.944 201 S CB 1.177 63.736 63.200 -1.068 0.000 1.155 201 S HN -0.111 nan 8.310 nan 0.000 0.449 202 P HA -0.054 nan 4.420 nan 0.000 0.216 202 P C 0.590 177.657 177.300 -0.389 0.000 1.150 202 P CA 0.999 63.750 63.100 -0.581 0.000 0.837 202 P CB -0.072 31.508 31.700 -0.200 0.000 0.786 203 Y N -2.552 117.544 120.300 -0.340 0.000 2.736 203 Y HA -0.114 4.436 4.550 -0.000 0.000 0.298 203 Y C 1.659 177.558 175.900 -0.003 0.000 1.156 203 Y CA 0.582 58.579 58.100 -0.171 0.000 1.384 203 Y CB -1.169 37.207 38.460 -0.139 0.000 0.976 203 Y HN -0.004 nan 8.280 nan 0.000 0.556 204 F N -0.788 119.107 119.950 -0.092 0.000 2.446 204 F HA 0.148 4.675 4.527 -0.000 0.000 0.292 204 F C 1.218 176.948 175.800 -0.117 0.000 1.096 204 F CA -0.960 56.990 58.000 -0.083 0.000 1.438 204 F CB -0.708 38.246 39.000 -0.076 0.000 1.107 204 F HN -0.192 nan 8.300 nan 0.000 0.546 205 I N 3.055 123.606 120.570 -0.032 0.000 2.996 205 I HA -0.233 3.937 4.170 -0.000 0.000 0.311 205 I C 1.177 177.287 176.117 -0.011 0.000 1.219 205 I CA 0.713 61.981 61.300 -0.054 0.000 1.452 205 I CB 0.241 38.164 38.000 -0.128 0.000 1.319 205 I HN 0.260 nan 8.210 nan 0.000 0.564 206 N N 4.626 123.326 118.700 0.000 0.000 2.159 206 N HA 0.037 4.777 4.740 -0.000 0.000 0.217 206 N C -0.240 175.265 175.510 -0.008 0.000 1.223 206 N CA -0.181 52.868 53.050 -0.002 0.000 0.896 206 N CB 0.707 39.195 38.487 0.002 0.000 1.064 206 N HN 0.400 nan 8.380 nan 0.000 0.518 207 K N 2.090 122.486 120.400 -0.007 0.000 2.679 207 K HA 0.324 4.644 4.320 -0.000 0.000 0.188 207 K C -1.843 174.751 176.600 -0.010 0.000 1.055 207 K CA -1.794 54.489 56.287 -0.006 0.000 1.006 207 K CB 2.182 34.685 32.500 0.004 0.000 1.317 207 K HN -0.017 nan 8.250 nan 0.000 0.584 208 P HA -0.240 nan 4.420 nan 0.000 0.212 208 P C 0.850 178.141 177.300 -0.017 0.000 1.174 208 P CA 1.398 64.481 63.100 -0.029 0.000 0.934 208 P CB 0.394 32.076 31.700 -0.031 0.000 0.791 209 E N -0.935 119.258 120.200 -0.011 0.000 2.455 209 E HA -0.088 4.262 4.350 -0.000 0.000 0.202 209 E C 1.517 178.119 176.600 0.002 0.000 1.045 209 E CA 1.134 57.531 56.400 -0.004 0.000 0.872 209 E CB -0.550 29.149 29.700 -0.003 0.000 0.792 209 E HN 0.392 nan 8.360 nan 0.000 0.542 210 T N -1.705 112.853 114.554 0.006 0.000 2.969 210 T HA 0.203 4.553 4.350 -0.000 0.000 0.250 210 T C 1.184 175.904 174.700 0.033 0.000 1.021 210 T CA 0.425 62.537 62.100 0.019 0.000 1.003 210 T CB 0.789 69.669 68.868 0.020 0.000 1.040 210 T HN 0.263 nan 8.240 nan 0.000 0.492 211 G N 1.984 110.799 108.800 0.024 0.000 2.249 211 G HA2 0.005 3.965 3.960 -0.000 0.000 0.273 211 G HA3 0.005 3.965 3.960 -0.000 0.000 0.273 211 G C 0.087 175.044 174.900 0.095 0.000 1.036 211 G CA 0.185 45.310 45.100 0.042 0.000 0.824 211 G HN 0.938 nan 8.290 nan 0.000 0.504 212 A N -1.362 121.498 122.820 0.067 0.000 2.430 212 A HA 0.897 5.217 4.320 -0.000 0.000 0.300 212 A C -0.346 177.278 177.584 0.066 0.000 1.124 212 A CA -0.339 51.754 52.037 0.094 0.000 0.766 212 A CB 2.177 21.218 19.000 0.069 0.000 1.328 212 A HN 1.181 nan 8.150 nan 0.000 0.424 213 V N 1.979 121.946 119.914 0.089 0.000 2.284 213 V HA 0.280 4.400 4.120 -0.000 0.000 0.274 213 V C -0.399 175.717 176.094 0.036 0.000 1.023 213 V CA -0.308 62.030 62.300 0.063 0.000 0.808 213 V CB 0.610 32.494 31.823 0.100 0.000 1.035 213 V HN 0.889 nan 8.190 nan 0.000 0.445 214 E N 5.327 125.536 120.200 0.015 0.000 2.200 214 E HA 0.597 4.947 4.350 -0.000 0.000 0.283 214 E C -1.034 175.561 176.600 -0.008 0.000 1.015 214 E CA -0.397 56.004 56.400 0.001 0.000 0.819 214 E CB 1.813 31.511 29.700 -0.003 0.000 1.081 214 E HN 0.521 nan 8.360 nan 0.000 0.397 215 L N 2.806 124.020 121.223 -0.014 0.000 2.362 215 L HA 0.318 4.658 4.340 -0.000 0.000 0.275 215 L C -0.032 176.822 176.870 -0.028 0.000 0.998 215 L CA -1.050 53.777 54.840 -0.021 0.000 0.820 215 L CB 1.685 43.730 42.059 -0.022 0.000 1.270 215 L HN 0.352 nan 8.230 nan 0.000 0.415 216 E N 2.217 122.400 120.200 -0.029 0.000 2.003 216 E HA 0.073 4.423 4.350 -0.000 0.000 0.279 216 E C 0.505 177.069 176.600 -0.060 0.000 1.132 216 E CA -0.006 56.371 56.400 -0.038 0.000 0.888 216 E CB 0.867 30.548 29.700 -0.031 0.000 1.056 216 E HN 0.691 nan 8.360 nan 0.000 0.399 217 S N 1.736 117.390 115.700 -0.076 0.000 3.348 217 S HA -0.181 4.289 4.470 -0.000 0.000 0.366 217 S C -2.246 172.245 174.600 -0.183 0.000 0.953 217 S CA -0.006 58.122 58.200 -0.121 0.000 1.255 217 S CB -1.755 61.368 63.200 -0.128 0.000 0.906 217 S HN 0.256 nan 8.310 nan 0.000 0.495 218 P HA 0.584 nan 4.420 nan 0.000 0.279 218 P C 0.370 177.572 177.300 -0.164 0.000 1.282 218 P CA -0.759 62.288 63.100 -0.088 0.000 0.788 218 P CB 0.312 32.017 31.700 0.009 0.000 1.139 219 F N -0.707 119.235 119.950 -0.012 0.000 2.368 219 F HA 0.443 4.970 4.527 -0.000 0.000 0.315 219 F C 0.749 176.548 175.800 -0.002 0.000 1.145 219 F CA 0.030 58.027 58.000 -0.006 0.000 1.095 219 F CB 0.153 39.149 39.000 -0.006 0.000 1.286 219 F HN -0.008 nan 8.300 nan 0.000 0.530 220 I N 2.310 122.999 120.570 0.200 0.000 2.647 220 I HA 0.316 4.486 4.170 -0.000 0.000 0.295 220 I C -1.341 174.841 176.117 0.109 0.000 1.078 220 I CA -0.903 60.469 61.300 0.120 0.000 1.048 220 I CB 2.151 40.201 38.000 0.083 0.000 1.239 220 I HN 0.237 nan 8.210 nan 0.000 0.421 221 L N 6.556 127.830 121.223 0.085 0.000 2.334 221 L HA 0.588 4.928 4.340 -0.000 0.000 0.276 221 L C -1.156 175.750 176.870 0.059 0.000 1.014 221 L CA -0.580 54.299 54.840 0.065 0.000 0.815 221 L CB 1.788 43.877 42.059 0.050 0.000 1.268 221 L HN 0.618 nan 8.230 nan 0.000 0.428 222 L N 5.540 126.790 121.223 0.046 0.000 2.556 222 L HA 0.410 4.750 4.340 -0.000 0.000 0.243 222 L C 0.588 177.473 176.870 0.025 0.000 1.331 222 L CA -0.354 54.508 54.840 0.037 0.000 0.927 222 L CB 1.031 43.110 42.059 0.034 0.000 1.219 222 L HN 0.719 nan 8.230 nan 0.000 0.490 223 A N 0.197 123.032 122.820 0.025 0.000 2.281 223 A HA 0.208 4.528 4.320 -0.000 0.000 0.271 223 A C 0.492 178.083 177.584 0.012 0.000 1.196 223 A CA 0.413 52.461 52.037 0.019 0.000 0.807 223 A CB 0.380 19.394 19.000 0.022 0.000 1.138 223 A HN 0.604 nan 8.150 nan 0.000 0.506 224 D N -2.570 117.836 120.400 0.010 0.000 2.530 224 D HA 0.161 4.801 4.640 -0.000 0.000 0.253 224 D C 0.066 176.372 176.300 0.009 0.000 1.338 224 D CA 0.092 54.096 54.000 0.006 0.000 0.806 224 D CB 0.016 40.819 40.800 0.004 0.000 1.160 224 D HN 0.642 nan 8.370 nan 0.000 0.514 225 K N -0.897 119.510 120.400 0.013 0.000 2.263 225 K HA 0.654 4.974 4.320 -0.000 0.000 0.249 225 K C -0.898 175.713 176.600 0.019 0.000 1.076 225 K CA -1.050 55.245 56.287 0.014 0.000 0.884 225 K CB 1.173 33.680 32.500 0.013 0.000 1.394 225 K HN -0.326 nan 8.250 nan 0.000 0.476 226 K N 0.748 121.159 120.400 0.020 0.000 2.174 226 K HA 0.356 4.676 4.320 -0.000 0.000 0.275 226 K C -0.554 176.061 176.600 0.024 0.000 1.015 226 K CA -0.442 55.859 56.287 0.023 0.000 0.933 226 K CB 0.645 33.158 32.500 0.021 0.000 1.025 226 K HN 0.441 nan 8.250 nan 0.000 0.463 227 I N 2.865 123.453 120.570 0.029 0.000 2.354 227 I HA 0.114 4.284 4.170 -0.000 0.000 0.286 227 I C 0.822 176.956 176.117 0.028 0.000 1.007 227 I CA -0.102 61.215 61.300 0.028 0.000 1.167 227 I CB 0.646 38.666 38.000 0.034 0.000 1.320 227 I HN 0.771 nan 8.210 nan 0.000 0.458 228 S N 4.517 120.229 115.700 0.021 0.000 2.517 228 S HA 0.123 4.593 4.470 -0.000 0.000 0.228 228 S C 0.800 175.409 174.600 0.016 0.000 1.060 228 S CA -0.053 58.157 58.200 0.018 0.000 0.937 228 S CB 0.149 63.357 63.200 0.013 0.000 0.840 228 S HN 0.610 nan 8.310 nan 0.000 0.546 229 N N 1.059 119.767 118.700 0.013 0.000 2.499 229 N HA 0.271 5.011 4.740 -0.000 0.000 0.281 229 N C 0.441 175.958 175.510 0.012 0.000 1.098 229 N CA -0.214 52.842 53.050 0.010 0.000 0.979 229 N CB 1.070 39.562 38.487 0.007 0.000 1.121 229 N HN 0.166 nan 8.380 nan 0.000 0.466 230 I N 3.259 123.835 120.570 0.011 0.000 2.493 230 I HA -0.109 4.061 4.170 -0.000 0.000 0.254 230 I C 2.424 178.544 176.117 0.006 0.000 1.160 230 I CA 0.500 61.806 61.300 0.011 0.000 1.445 230 I CB -0.592 37.414 38.000 0.010 0.000 1.086 230 I HN 0.617 nan 8.210 nan 0.000 0.433 231 R N 1.622 122.124 120.500 0.004 0.000 2.222 231 R HA -0.359 3.981 4.340 -0.000 0.000 0.235 231 R C 2.160 178.459 176.300 -0.001 0.000 1.112 231 R CA 2.789 58.890 56.100 0.000 0.000 0.897 231 R CB -0.441 29.860 30.300 0.001 0.000 0.882 231 R HN 0.319 nan 8.270 nan 0.000 0.429 232 E N -0.037 120.163 120.200 0.000 0.000 2.233 232 E HA -0.278 4.072 4.350 -0.000 0.000 0.210 232 E C 1.876 178.473 176.600 -0.005 0.000 1.046 232 E CA 2.392 58.792 56.400 -0.001 0.000 0.844 232 E CB -0.315 29.387 29.700 0.003 0.000 0.741 232 E HN 0.369 nan 8.360 nan 0.000 0.465 233 M N -0.319 119.279 119.600 -0.004 0.000 2.099 233 M HA -0.016 4.464 4.480 -0.000 0.000 0.262 233 M C 1.966 178.254 176.300 -0.019 0.000 1.067 233 M CA 1.186 56.480 55.300 -0.010 0.000 1.124 233 M CB -0.609 31.988 32.600 -0.005 0.000 1.353 233 M HN 0.071 nan 8.290 nan 0.000 0.410 234 L N 0.013 121.227 121.223 -0.015 0.000 2.166 234 L HA -0.328 4.012 4.340 -0.000 0.000 0.228 234 L C -0.426 176.428 176.870 -0.027 0.000 1.101 234 L CA 2.039 56.868 54.840 -0.019 0.000 0.821 234 L CB -2.846 39.205 42.059 -0.013 0.000 0.908 234 L HN 0.258 nan 8.230 nan 0.000 0.447 235 P HA -0.161 nan 4.420 nan 0.000 0.210 235 P C 1.830 179.099 177.300 -0.052 0.000 1.189 235 P CA 2.518 65.597 63.100 -0.034 0.000 0.920 235 P CB -0.316 31.367 31.700 -0.028 0.000 0.782 236 V N -1.722 118.158 119.914 -0.056 0.000 2.295 236 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 236 V C 2.696 178.730 176.094 -0.099 0.000 1.049 236 V CA 1.728 63.977 62.300 -0.086 0.000 1.024 236 V CB -2.227 29.554 31.823 -0.071 0.000 0.648 236 V HN -0.088 nan 8.190 nan 0.000 0.447 237 L N 1.121 122.305 121.223 -0.066 0.000 2.189 237 L HA -0.180 4.160 4.340 -0.000 0.000 0.214 237 L C 2.511 179.342 176.870 -0.065 0.000 1.097 237 L CA 2.538 57.343 54.840 -0.059 0.000 0.764 237 L CB -0.800 41.239 42.059 -0.034 0.000 0.900 237 L HN 0.687 nan 8.230 nan 0.000 0.436 238 E N -1.493 118.668 120.200 -0.065 0.000 2.276 238 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 238 E C 2.061 178.611 176.600 -0.083 0.000 0.983 238 E CA 0.620 56.985 56.400 -0.059 0.000 0.861 238 E CB 0.057 29.730 29.700 -0.044 0.000 0.817 238 E HN 0.544 nan 8.360 nan 0.000 0.485 239 A N 1.118 123.869 122.820 -0.115 0.000 1.873 239 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 239 A C 2.313 179.760 177.584 -0.229 0.000 1.186 239 A CA 1.585 53.527 52.037 -0.158 0.000 0.616 239 A CB -0.842 18.047 19.000 -0.184 0.000 0.823 239 A HN 0.298 nan 8.150 nan 0.000 0.442 240 V N -3.026 116.715 119.914 -0.288 0.000 3.380 240 V HA 0.251 4.371 4.120 -0.000 0.000 0.268 240 V C 2.102 178.122 176.094 -0.123 0.000 1.168 240 V CA 1.294 63.392 62.300 -0.336 0.000 1.156 240 V CB -1.033 30.600 31.823 -0.317 0.000 0.785 240 V HN 0.487 nan 8.190 nan 0.000 0.487 241 A N 0.998 123.762 122.820 -0.093 0.000 1.861 241 A HA 0.048 4.368 4.320 -0.000 0.000 0.212 241 A C 2.238 179.804 177.584 -0.030 0.000 1.199 241 A CA 1.363 53.374 52.037 -0.044 0.000 0.613 241 A CB -0.354 18.622 19.000 -0.040 0.000 0.846 241 A HN 0.511 nan 8.150 nan 0.000 0.446 242 K N -0.042 120.333 120.400 -0.042 0.000 2.459 242 K HA 0.199 4.519 4.320 -0.000 0.000 0.193 242 K C 1.607 178.200 176.600 -0.012 0.000 1.030 242 K CA 0.558 56.831 56.287 -0.024 0.000 1.026 242 K CB -0.015 32.468 32.500 -0.029 0.000 0.809 242 K HN 0.418 nan 8.250 nan 0.000 0.504 243 A N 0.648 123.454 122.820 -0.024 0.000 2.178 243 A HA 0.161 4.481 4.320 -0.000 0.000 0.211 243 A C 1.519 179.164 177.584 0.102 0.000 1.157 243 A CA 0.713 52.772 52.037 0.036 0.000 0.780 243 A CB -0.293 18.675 19.000 -0.053 0.000 0.828 243 A HN 0.351 nan 8.150 nan 0.000 0.476 244 G N -0.407 108.429 108.800 0.060 0.000 2.203 244 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.263 244 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.263 244 G C 0.163 175.121 174.900 0.097 0.000 1.012 244 G CA 1.094 46.232 45.100 0.062 0.000 0.749 244 G HN 0.624 nan 8.290 nan 0.000 0.512 245 K N -0.143 120.363 120.400 0.176 0.000 2.340 245 K HA 0.570 4.890 4.320 -0.000 0.000 0.244 245 K C -2.533 174.178 176.600 0.186 0.000 0.973 245 K CA -2.258 54.152 56.287 0.205 0.000 0.828 245 K CB 2.030 34.735 32.500 0.341 0.000 1.226 245 K HN -0.037 nan 8.250 nan 0.000 0.437 246 P HA 0.172 nan 4.420 nan 0.000 0.275 246 P C -1.256 176.131 177.300 0.145 0.000 1.266 246 P CA -0.631 62.515 63.100 0.076 0.000 0.793 246 P CB 0.524 32.238 31.700 0.022 0.000 1.074 247 L N 0.780 122.047 121.223 0.074 0.000 2.472 247 L HA 0.506 4.846 4.340 -0.000 0.000 0.260 247 L C -1.928 174.959 176.870 0.028 0.000 0.963 247 L CA -0.808 54.092 54.840 0.100 0.000 0.829 247 L CB 1.799 43.903 42.059 0.075 0.000 1.348 247 L HN 0.281 nan 8.230 nan 0.000 0.408 248 L N 4.916 126.171 121.223 0.053 0.000 2.342 248 L HA 0.644 4.984 4.340 -0.000 0.000 0.271 248 L C -1.005 175.898 176.870 0.054 0.000 1.008 248 L CA -0.562 54.298 54.840 0.033 0.000 0.818 248 L CB 2.080 44.165 42.059 0.043 0.000 1.296 248 L HN 0.663 nan 8.230 nan 0.000 0.427 249 I N 4.556 125.160 120.570 0.057 0.000 2.646 249 I HA 0.496 4.666 4.170 -0.000 0.000 0.299 249 I C -0.698 175.480 176.117 0.101 0.000 1.036 249 I CA -0.671 60.672 61.300 0.071 0.000 1.074 249 I CB 2.540 40.576 38.000 0.061 0.000 1.258 249 I HN 0.449 nan 8.210 nan 0.000 0.430 250 I N 4.550 125.173 120.570 0.088 0.000 2.563 250 I HA 0.702 4.872 4.170 -0.000 0.000 0.285 250 I C -0.413 175.732 176.117 0.047 0.000 1.123 250 I CA -0.114 61.237 61.300 0.086 0.000 1.059 250 I CB 1.777 39.837 38.000 0.100 0.000 1.229 250 I HN 0.778 nan 8.210 nan 0.000 0.442 251 A N 4.558 127.402 122.820 0.040 0.000 2.493 251 A HA 0.535 4.855 4.320 -0.000 0.000 0.300 251 A C 0.509 178.106 177.584 0.023 0.000 1.152 251 A CA -0.489 51.562 52.037 0.024 0.000 0.643 251 A CB 0.951 19.970 19.000 0.031 0.000 1.316 251 A HN 0.500 nan 8.150 nan 0.000 0.469 252 E N 0.450 120.662 120.200 0.020 0.000 2.072 252 E HA -0.186 4.164 4.350 -0.000 0.000 0.218 252 E C 0.143 176.761 176.600 0.031 0.000 1.051 252 E CA 2.184 58.597 56.400 0.023 0.000 0.880 252 E CB 0.022 29.736 29.700 0.023 0.000 0.783 252 E HN 0.635 nan 8.360 nan 0.000 0.473 253 D N -2.527 117.895 120.400 0.037 0.000 3.010 253 D HA 0.216 4.856 4.640 -0.000 0.000 0.353 253 D C -1.636 174.695 176.300 0.051 0.000 1.415 253 D CA -0.395 53.633 54.000 0.046 0.000 0.864 253 D CB 1.359 42.180 40.800 0.036 0.000 1.445 253 D HN -0.137 nan 8.370 nan 0.000 0.516 254 V N 1.594 121.541 119.914 0.055 0.000 2.577 254 V HA 0.285 4.405 4.120 -0.000 0.000 0.294 254 V C -0.885 175.235 176.094 0.043 0.000 1.052 254 V CA -0.744 61.590 62.300 0.056 0.000 0.891 254 V CB 1.587 33.461 31.823 0.085 0.000 1.017 254 V HN 0.383 nan 8.190 nan 0.000 0.436 255 E N 2.375 122.594 120.200 0.030 0.000 2.354 255 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 255 E C 1.454 178.064 176.600 0.016 0.000 1.036 255 E CA 0.673 57.084 56.400 0.019 0.000 0.876 255 E CB 1.280 30.988 29.700 0.013 0.000 1.009 255 E HN 0.713 nan 8.360 nan 0.000 0.416 256 G N 2.689 111.491 108.800 0.004 0.000 2.663 256 G HA2 -0.465 3.495 3.960 -0.000 0.000 0.222 256 G HA3 -0.465 3.495 3.960 -0.000 0.000 0.222 256 G C 1.312 176.212 174.900 0.000 0.000 1.146 256 G CA 1.526 46.622 45.100 -0.006 0.000 0.764 256 G HN 0.733 nan 8.290 nan 0.000 0.608 257 E N 0.392 120.593 120.200 0.002 0.000 2.082 257 E HA -0.260 4.090 4.350 -0.000 0.000 0.215 257 E C 2.656 179.262 176.600 0.011 0.000 1.048 257 E CA 1.971 58.373 56.400 0.004 0.000 0.869 257 E CB -0.406 29.297 29.700 0.005 0.000 0.773 257 E HN 0.442 nan 8.360 nan 0.000 0.466 258 A N 0.454 123.286 122.820 0.020 0.000 1.943 258 A HA 0.056 4.376 4.320 -0.000 0.000 0.213 258 A C 2.122 179.734 177.584 0.047 0.000 1.181 258 A CA 0.600 52.655 52.037 0.030 0.000 0.653 258 A CB -0.441 18.578 19.000 0.032 0.000 0.833 258 A HN 0.410 nan 8.150 nan 0.000 0.451 259 L N -0.216 121.035 121.223 0.048 0.000 1.937 259 L HA -0.095 4.245 4.340 -0.000 0.000 0.213 259 L C 2.826 179.723 176.870 0.046 0.000 1.077 259 L CA 1.675 56.556 54.840 0.068 0.000 0.758 259 L CB -0.580 41.507 42.059 0.045 0.000 0.888 259 L HN 0.357 nan 8.230 nan 0.000 0.433 260 A N -0.285 122.532 122.820 -0.005 0.000 1.954 260 A HA -0.363 3.957 4.320 -0.000 0.000 0.222 260 A C 2.296 179.871 177.584 -0.015 0.000 1.199 260 A CA 3.174 55.185 52.037 -0.042 0.000 0.657 260 A CB -1.652 17.317 19.000 -0.053 0.000 0.823 260 A HN 0.757 nan 8.150 nan 0.000 0.463 261 T N -1.444 113.116 114.554 0.010 0.000 2.652 261 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 261 T C 1.839 176.566 174.700 0.046 0.000 1.039 261 T CA 1.528 63.639 62.100 0.019 0.000 1.153 261 T CB -0.713 68.167 68.868 0.019 0.000 0.863 261 T HN 0.345 nan 8.240 nan 0.000 0.428 262 L N 0.867 122.140 121.223 0.083 0.000 1.989 262 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 262 L C 3.017 180.007 176.870 0.200 0.000 1.071 262 L CA 1.218 56.135 54.840 0.128 0.000 0.749 262 L CB -0.989 41.174 42.059 0.173 0.000 0.890 262 L HN 0.168 nan 8.230 nan 0.000 0.431 263 V N -0.186 119.869 119.914 0.236 0.000 2.236 263 V HA -0.365 3.755 4.120 -0.000 0.000 0.255 263 V C 2.417 178.585 176.094 0.123 0.000 1.068 263 V CA 2.305 64.721 62.300 0.193 0.000 1.044 263 V CB -0.710 31.052 31.823 -0.102 0.000 0.653 263 V HN 0.250 nan 8.190 nan 0.000 0.448 264 V N 0.449 120.387 119.914 0.040 0.000 2.270 264 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 264 V C 2.420 178.547 176.094 0.055 0.000 1.043 264 V CA 2.176 64.495 62.300 0.031 0.000 1.014 264 V CB -1.102 30.721 31.823 0.001 0.000 0.645 264 V HN 0.693 nan 8.190 nan 0.000 0.447 265 N N 0.848 119.580 118.700 0.053 0.000 2.187 265 N HA -0.261 4.479 4.740 -0.000 0.000 0.194 265 N C 1.798 177.336 175.510 0.047 0.000 1.002 265 N CA 2.728 55.804 53.050 0.042 0.000 0.882 265 N CB -0.061 38.449 38.487 0.039 0.000 1.003 265 N HN 0.751 nan 8.380 nan 0.000 0.443 266 T N -1.663 112.938 114.554 0.078 0.000 2.988 266 T HA 0.079 4.429 4.350 -0.000 0.000 0.240 266 T C 1.414 176.167 174.700 0.088 0.000 1.014 266 T CA 0.231 62.374 62.100 0.072 0.000 1.155 266 T CB -0.506 68.409 68.868 0.079 0.000 0.872 266 T HN 0.284 nan 8.240 nan 0.000 0.440 267 M N 1.884 121.562 119.600 0.129 0.000 2.921 267 M HA 0.563 5.043 4.480 -0.000 0.000 0.319 267 M C 0.543 176.891 176.300 0.079 0.000 1.710 267 M CA 0.552 55.926 55.300 0.123 0.000 1.471 267 M CB -1.157 31.554 32.600 0.184 0.000 1.832 267 M HN 0.538 nan 8.290 nan 0.000 0.467 268 R N 1.062 121.596 120.500 0.057 0.000 3.125 268 R HA 0.082 4.422 4.340 -0.000 0.000 0.258 268 R C -0.322 175.998 176.300 0.034 0.000 0.968 268 R CA 0.845 56.968 56.100 0.039 0.000 0.656 268 R CB -3.059 27.264 30.300 0.038 0.000 1.251 268 R HN 1.657 nan 8.270 nan 0.000 0.428 269 G N -1.071 107.748 108.800 0.031 0.000 2.690 269 G HA2 0.706 4.666 3.960 -0.000 0.000 0.291 269 G HA3 0.706 4.666 3.960 -0.000 0.000 0.291 269 G C 0.927 175.837 174.900 0.015 0.000 1.403 269 G CA -0.276 44.839 45.100 0.024 0.000 0.864 269 G HN 0.506 nan 8.290 nan 0.000 0.480 270 I N -0.251 120.326 120.570 0.010 0.000 2.126 270 I HA -0.144 4.026 4.170 -0.000 0.000 0.200 270 I C 1.076 177.195 176.117 0.003 0.000 1.014 270 I CA 0.947 62.251 61.300 0.005 0.000 1.339 270 I CB -0.414 37.587 38.000 0.002 0.000 1.086 270 I HN 0.050 nan 8.210 nan 0.000 0.393 271 V N 2.430 122.343 119.914 -0.002 0.000 2.450 271 V HA -0.014 4.106 4.120 -0.000 0.000 0.281 271 V C 0.220 176.308 176.094 -0.011 0.000 1.019 271 V CA 0.114 62.410 62.300 -0.007 0.000 1.062 271 V CB 0.147 31.961 31.823 -0.015 0.000 0.979 271 V HN 0.266 nan 8.190 nan 0.000 0.477 272 K N 4.944 125.335 120.400 -0.015 0.000 2.293 272 K HA 0.663 4.983 4.320 -0.000 0.000 0.267 272 K C -0.613 175.947 176.600 -0.067 0.000 1.010 272 K CA -0.423 55.846 56.287 -0.030 0.000 0.875 272 K CB 1.361 33.853 32.500 -0.013 0.000 1.106 272 K HN 0.665 nan 8.250 nan 0.000 0.450 273 V N -0.321 119.512 119.914 -0.135 0.000 3.112 273 V HA 0.990 5.110 4.120 -0.000 0.000 0.310 273 V C -1.395 174.396 176.094 -0.505 0.000 1.364 273 V CA -0.828 61.348 62.300 -0.207 0.000 1.058 273 V CB 1.448 33.195 31.823 -0.126 0.000 1.079 273 V HN 0.782 nan 8.190 nan 0.000 0.463 274 A N -0.499 122.007 122.820 -0.523 0.000 2.599 274 A HA 1.107 5.427 4.320 -0.000 0.000 0.290 274 A C -0.594 176.817 177.584 -0.289 0.000 1.101 274 A CA -0.325 51.145 52.037 -0.945 0.000 0.674 274 A CB 1.147 19.556 19.000 -0.985 0.000 1.277 274 A HN 2.793 nan 8.150 nan 0.000 0.419 275 A N -0.705 122.113 122.820 -0.004 0.000 2.594 275 A HA 0.878 5.198 4.320 -0.000 0.000 0.295 275 A C -0.827 176.923 177.584 0.276 0.000 1.071 275 A CA 0.022 52.153 52.037 0.158 0.000 0.685 275 A CB 1.194 20.280 19.000 0.142 0.000 1.285 275 A HN 2.392 nan 8.150 nan 0.000 0.405 276 V N -1.314 118.731 119.914 0.219 0.000 3.049 276 V HA 0.671 4.791 4.120 -0.000 0.000 0.309 276 V C -0.413 175.786 176.094 0.175 0.000 1.148 276 V CA -1.268 61.167 62.300 0.226 0.000 0.990 276 V CB 1.387 33.369 31.823 0.264 0.000 1.039 276 V HN 0.948 nan 8.190 nan 0.000 0.430 277 K N 1.684 122.166 120.400 0.136 0.000 2.344 277 K HA 0.580 4.900 4.320 -0.000 0.000 0.260 277 K C 0.382 176.986 176.600 0.007 0.000 0.988 277 K CA 0.521 56.850 56.287 0.070 0.000 0.909 277 K CB 0.572 33.103 32.500 0.052 0.000 0.968 277 K HN 1.139 nan 8.250 nan 0.000 0.505 278 A N 3.015 125.798 122.820 -0.061 0.000 2.316 278 A HA 0.352 4.672 4.320 -0.000 0.000 0.284 278 A C -2.109 175.321 177.584 -0.257 0.000 1.115 278 A CA -1.480 50.437 52.037 -0.201 0.000 0.812 278 A CB -0.010 18.917 19.000 -0.122 0.000 1.064 278 A HN 0.498 nan 8.150 nan 0.000 0.489 279 P HA 0.365 nan 4.420 nan 0.000 0.272 279 P C 0.549 177.773 177.300 -0.126 0.000 1.240 279 P CA 1.194 64.091 63.100 -0.339 0.000 0.791 279 P CB 0.451 31.823 31.700 -0.547 0.000 0.978 280 G N 0.858 109.661 108.800 0.005 0.000 2.901 280 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.654 280 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.654 280 G C -0.820 174.181 174.900 0.169 0.000 1.550 280 G CA -0.222 44.917 45.100 0.065 0.000 0.978 280 G HN 0.656 nan 8.290 nan 0.000 0.566 281 F N -0.297 119.636 119.950 -0.028 0.000 2.565 281 F HA 0.835 5.362 4.527 -0.000 0.000 0.313 281 F C 0.942 176.737 175.800 -0.008 0.000 1.091 281 F CA -0.304 57.686 58.000 -0.017 0.000 0.915 281 F CB 1.241 40.239 39.000 -0.003 0.000 1.208 281 F HN 2.316 nan 8.300 nan 0.000 0.453 282 G N 2.308 111.148 108.800 0.066 0.000 2.527 282 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.268 282 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.268 282 G C 0.495 175.354 174.900 -0.068 0.000 1.175 282 G CA 0.425 45.523 45.100 -0.003 0.000 0.962 282 G HN 0.762 nan 8.290 nan 0.000 0.560 283 D N 0.398 120.745 120.400 -0.088 0.000 2.172 283 D HA -0.135 4.505 4.640 -0.000 0.000 0.196 283 D C 2.434 178.666 176.300 -0.114 0.000 0.999 283 D CA 1.698 55.647 54.000 -0.085 0.000 0.856 283 D CB -0.135 40.617 40.800 -0.081 0.000 0.934 283 D HN 0.320 nan 8.370 nan 0.000 0.453 284 R N 1.066 121.456 120.500 -0.183 0.000 2.103 284 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 284 R C 2.380 178.602 176.300 -0.129 0.000 1.132 284 R CA 1.859 57.844 56.100 -0.192 0.000 0.925 284 R CB -0.517 29.602 30.300 -0.303 0.000 0.842 284 R HN 0.317 nan 8.270 nan 0.000 0.430 285 R N 0.808 121.243 120.500 -0.108 0.000 2.153 285 R HA -0.212 4.128 4.340 -0.000 0.000 0.252 285 R C 1.634 177.893 176.300 -0.068 0.000 1.158 285 R CA 1.673 57.726 56.100 -0.078 0.000 0.975 285 R CB -0.519 29.755 30.300 -0.043 0.000 0.871 285 R HN 0.034 nan 8.270 nan 0.000 0.450 286 K N 1.045 121.410 120.400 -0.058 0.000 1.998 286 K HA -0.233 4.087 4.320 -0.000 0.000 0.228 286 K C 2.306 178.879 176.600 -0.045 0.000 1.053 286 K CA 2.191 58.451 56.287 -0.045 0.000 0.988 286 K CB -0.952 31.523 32.500 -0.042 0.000 0.735 286 K HN 0.412 nan 8.250 nan 0.000 0.448 287 A N 1.744 124.532 122.820 -0.052 0.000 1.858 287 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 287 A C 2.290 179.846 177.584 -0.047 0.000 1.190 287 A CA 2.039 54.048 52.037 -0.046 0.000 0.617 287 A CB -0.455 18.514 19.000 -0.052 0.000 0.827 287 A HN 0.252 nan 8.150 nan 0.000 0.443 288 M N -1.259 118.303 119.600 -0.064 0.000 3.092 288 M HA -0.295 4.185 4.480 -0.000 0.000 0.270 288 M C 2.219 178.482 176.300 -0.061 0.000 1.042 288 M CA 2.297 57.553 55.300 -0.073 0.000 1.052 288 M CB -1.542 30.994 32.600 -0.107 0.000 1.250 288 M HN 0.478 nan 8.290 nan 0.000 0.529 289 L N 0.506 121.688 121.223 -0.067 0.000 2.013 289 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 289 L C 2.596 179.456 176.870 -0.016 0.000 1.073 289 L CA 2.324 57.136 54.840 -0.045 0.000 0.753 289 L CB -0.994 41.041 42.059 -0.039 0.000 0.890 289 L HN 0.416 nan 8.230 nan 0.000 0.432 290 Q N 0.020 119.809 119.800 -0.017 0.000 2.062 290 Q HA -0.280 4.060 4.340 -0.000 0.000 0.209 290 Q C 1.778 177.777 176.000 -0.001 0.000 0.996 290 Q CA 2.541 58.340 55.803 -0.008 0.000 0.859 290 Q CB -0.660 28.071 28.738 -0.013 0.000 0.920 290 Q HN 0.649 nan 8.270 nan 0.000 0.415 291 D N -0.165 120.232 120.400 -0.005 0.000 2.154 291 D HA -0.217 4.423 4.640 -0.000 0.000 0.190 291 D C 1.859 178.171 176.300 0.020 0.000 1.003 291 D CA 2.022 56.025 54.000 0.004 0.000 0.849 291 D CB -0.348 40.453 40.800 0.002 0.000 0.942 291 D HN 0.389 nan 8.370 nan 0.000 0.446 292 I N 0.799 121.388 120.570 0.032 0.000 2.127 292 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 292 I C 2.493 178.635 176.117 0.043 0.000 1.075 292 I CA 1.178 62.513 61.300 0.057 0.000 1.334 292 I CB -0.463 37.587 38.000 0.084 0.000 1.040 292 I HN 0.003 nan 8.210 nan 0.000 0.405 293 A N 0.838 123.677 122.820 0.032 0.000 1.870 293 A HA -0.318 4.002 4.320 -0.000 0.000 0.219 293 A C 2.378 179.976 177.584 0.023 0.000 1.224 293 A CA 3.122 55.175 52.037 0.028 0.000 0.650 293 A CB -1.456 17.556 19.000 0.019 0.000 0.836 293 A HN 0.439 nan 8.150 nan 0.000 0.454 294 T N 0.041 114.606 114.554 0.017 0.000 2.592 294 T HA -0.265 4.085 4.350 -0.000 0.000 0.267 294 T C 1.836 176.544 174.700 0.014 0.000 1.060 294 T CA 1.920 64.028 62.100 0.013 0.000 1.167 294 T CB -0.647 68.226 68.868 0.009 0.000 0.863 294 T HN 0.419 nan 8.240 nan 0.000 0.431 295 L N 1.590 122.824 121.223 0.018 0.000 2.043 295 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 295 L C 2.597 179.476 176.870 0.014 0.000 1.075 295 L CA 2.582 57.432 54.840 0.016 0.000 0.752 295 L CB -1.323 40.751 42.059 0.024 0.000 0.891 295 L HN 0.530 nan 8.230 nan 0.000 0.432 296 T N -3.652 110.915 114.554 0.021 0.000 3.088 296 T HA 0.233 4.583 4.350 -0.000 0.000 0.259 296 T C 1.438 176.147 174.700 0.015 0.000 1.122 296 T CA 0.410 62.521 62.100 0.017 0.000 1.095 296 T CB -0.575 68.312 68.868 0.031 0.000 0.930 296 T HN 0.791 nan 8.240 nan 0.000 0.508 297 G N 0.649 109.459 108.800 0.017 0.000 2.221 297 G HA2 0.014 3.974 3.960 -0.000 0.000 0.265 297 G HA3 0.014 3.974 3.960 -0.000 0.000 0.265 297 G C 0.297 175.213 174.900 0.027 0.000 1.041 297 G CA -0.101 45.009 45.100 0.017 0.000 0.807 297 G HN 1.051 nan 8.290 nan 0.000 0.502 298 G N -1.592 107.227 108.800 0.032 0.000 2.552 298 G HA2 0.733 4.693 3.960 -0.000 0.000 0.324 298 G HA3 0.733 4.693 3.960 -0.000 0.000 0.324 298 G C -0.271 174.648 174.900 0.032 0.000 1.217 298 G CA 0.147 45.272 45.100 0.041 0.000 0.989 298 G HN 0.514 nan 8.290 nan 0.000 0.490 299 T N 0.267 114.840 114.554 0.032 0.000 2.829 299 T HA 0.446 4.796 4.350 -0.000 0.000 0.282 299 T C 0.279 174.992 174.700 0.021 0.000 0.990 299 T CA -0.286 61.828 62.100 0.023 0.000 1.028 299 T CB 1.393 70.272 68.868 0.020 0.000 0.951 299 T HN 0.769 nan 8.240 nan 0.000 0.460 300 V N 1.723 121.646 119.914 0.015 0.000 2.385 300 V HA 0.507 4.627 4.120 -0.000 0.000 0.269 300 V C -0.205 175.895 176.094 0.009 0.000 1.043 300 V CA -0.928 61.380 62.300 0.012 0.000 0.906 300 V CB -0.172 31.655 31.823 0.007 0.000 0.995 300 V HN 0.647 nan 8.190 nan 0.000 0.467 301 I N 4.907 125.483 120.570 0.010 0.000 2.311 301 I HA 0.249 4.419 4.170 -0.000 0.000 0.297 301 I C 0.821 176.941 176.117 0.006 0.000 1.131 301 I CA 0.935 62.239 61.300 0.008 0.000 1.289 301 I CB 0.179 38.185 38.000 0.009 0.000 1.446 301 I HN 0.682 nan 8.210 nan 0.000 0.524 302 S N 5.745 121.448 115.700 0.004 0.000 2.429 302 S HA 0.278 4.748 4.470 -0.000 0.000 0.302 302 S C 1.055 175.656 174.600 0.003 0.000 1.115 302 S CA -0.716 57.486 58.200 0.002 0.000 1.095 302 S CB 1.385 64.585 63.200 0.000 0.000 0.987 302 S HN 0.464 nan 8.310 nan 0.000 0.474 303 E N 2.263 122.465 120.200 0.003 0.000 2.268 303 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 303 E C 0.516 177.118 176.600 0.003 0.000 0.995 303 E CA 0.784 57.186 56.400 0.003 0.000 0.836 303 E CB 0.003 29.706 29.700 0.005 0.000 0.763 303 E HN 0.719 nan 8.360 nan 0.000 0.491 304 E N 0.155 120.356 120.200 0.002 0.000 2.382 304 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 304 E C 0.991 177.591 176.600 0.000 0.000 1.125 304 E CA 0.059 56.460 56.400 0.001 0.000 0.929 304 E CB 0.042 29.742 29.700 -0.000 0.000 1.053 304 E HN 0.264 nan 8.360 nan 0.000 0.475 305 I N -2.104 118.466 120.570 0.001 0.000 4.765 305 I HA 0.160 4.330 4.170 -0.000 0.000 0.349 305 I C 1.331 177.449 176.117 0.001 0.000 1.278 305 I CA 0.046 61.346 61.300 0.001 0.000 1.331 305 I CB 1.147 39.148 38.000 0.001 0.000 1.570 305 I HN 0.236 nan 8.210 nan 0.000 0.538 306 G N 2.020 110.821 108.800 0.001 0.000 2.284 306 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.247 306 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.247 306 G C 0.483 175.384 174.900 0.002 0.000 1.012 306 G CA 0.039 45.139 45.100 0.001 0.000 0.618 306 G HN 0.258 nan 8.290 nan 0.000 0.521 307 M N 1.225 120.826 119.600 0.002 0.000 2.261 307 M HA 0.344 4.824 4.480 -0.000 0.000 0.350 307 M C 0.550 176.851 176.300 0.002 0.000 1.343 307 M CA 1.004 56.305 55.300 0.002 0.000 1.003 307 M CB 0.457 33.059 32.600 0.003 0.000 1.848 307 M HN 0.416 nan 8.290 nan 0.000 0.456 308 E N 2.211 122.411 120.200 0.001 0.000 2.355 308 E HA 0.370 4.720 4.350 -0.000 0.000 0.261 308 E C 0.141 176.742 176.600 0.001 0.000 0.943 308 E CA -0.679 55.722 56.400 0.002 0.000 0.806 308 E CB 1.486 31.187 29.700 0.001 0.000 1.286 308 E HN 0.733 nan 8.360 nan 0.000 0.424 309 L N 0.821 122.044 121.223 0.001 0.000 2.044 309 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 309 L C 2.146 179.012 176.870 -0.005 0.000 1.075 309 L CA 1.080 55.920 54.840 -0.001 0.000 0.747 309 L CB -0.423 41.637 42.059 0.002 0.000 0.903 309 L HN 0.623 nan 8.230 nan 0.000 0.435 310 E N 0.573 120.770 120.200 -0.005 0.000 2.219 310 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 310 E C 0.441 177.035 176.600 -0.009 0.000 0.998 310 E CA 0.997 57.392 56.400 -0.008 0.000 0.818 310 E CB -0.038 29.658 29.700 -0.006 0.000 0.741 310 E HN 0.220 nan 8.360 nan 0.000 0.477 311 K N 0.722 121.118 120.400 -0.006 0.000 2.502 311 K HA 0.347 4.667 4.320 -0.000 0.000 0.244 311 K C -1.021 175.576 176.600 -0.006 0.000 1.249 311 K CA -0.061 56.223 56.287 -0.006 0.000 1.193 311 K CB 1.103 33.601 32.500 -0.003 0.000 1.674 311 K HN 0.061 nan 8.250 nan 0.000 0.302 312 A N 0.344 123.157 122.820 -0.011 0.000 2.547 312 A HA 0.614 4.934 4.320 -0.000 0.000 0.298 312 A C -0.724 176.847 177.584 -0.023 0.000 1.062 312 A CA -0.750 51.280 52.037 -0.012 0.000 0.748 312 A CB 1.166 20.160 19.000 -0.009 0.000 1.288 312 A HN 0.246 nan 8.150 nan 0.000 0.396 313 T N 2.069 116.611 114.554 -0.021 0.000 2.916 313 T HA 0.469 4.819 4.350 -0.000 0.000 0.292 313 T C 1.247 175.929 174.700 -0.030 0.000 1.055 313 T CA -0.572 61.508 62.100 -0.033 0.000 1.009 313 T CB 1.097 69.951 68.868 -0.024 0.000 1.118 313 T HN 0.499 nan 8.240 nan 0.000 0.497 314 L N 1.288 122.475 121.223 -0.059 0.000 2.085 314 L HA -0.240 4.100 4.340 -0.000 0.000 0.218 314 L C 2.559 179.457 176.870 0.047 0.000 1.080 314 L CA 1.988 56.804 54.840 -0.040 0.000 0.776 314 L CB -1.180 40.834 42.059 -0.075 0.000 0.891 314 L HN 0.878 nan 8.230 nan 0.000 0.437 315 E N -0.975 119.245 120.200 0.033 0.000 2.444 315 E HA -0.246 4.104 4.350 -0.000 0.000 0.204 315 E C 0.771 177.395 176.600 0.041 0.000 1.049 315 E CA 1.484 57.909 56.400 0.041 0.000 0.872 315 E CB -0.401 29.313 29.700 0.024 0.000 0.791 315 E HN 0.621 nan 8.360 nan 0.000 0.548 316 D N 0.063 120.485 120.400 0.037 0.000 2.417 316 D HA 0.100 4.740 4.640 -0.000 0.000 0.207 316 D C 0.118 176.450 176.300 0.054 0.000 1.075 316 D CA -0.059 53.962 54.000 0.035 0.000 0.851 316 D CB 0.375 41.187 40.800 0.020 0.000 0.976 316 D HN 0.116 nan 8.370 nan 0.000 0.505 317 L N 0.963 122.236 121.223 0.083 0.000 2.418 317 L HA 0.398 4.738 4.340 -0.000 0.000 0.265 317 L C 1.357 178.303 176.870 0.127 0.000 1.143 317 L CA -0.098 54.817 54.840 0.125 0.000 0.809 317 L CB 0.941 43.128 42.059 0.214 0.000 1.124 317 L HN -0.165 nan 8.230 nan 0.000 0.456 318 G N 0.418 109.282 108.800 0.106 0.000 2.557 318 G HA2 0.682 4.642 3.960 -0.000 0.000 0.302 318 G HA3 0.682 4.642 3.960 -0.000 0.000 0.302 318 G C -1.128 173.799 174.900 0.044 0.000 1.311 318 G CA -0.348 44.792 45.100 0.066 0.000 1.030 318 G HN 0.506 nan 8.290 nan 0.000 0.509 319 Q N -1.662 118.133 119.800 -0.008 0.000 2.386 319 Q HA 0.555 4.895 4.340 -0.000 0.000 0.274 319 Q C -1.320 174.640 176.000 -0.067 0.000 1.011 319 Q CA -0.754 55.001 55.803 -0.079 0.000 0.867 319 Q CB 2.541 31.186 28.738 -0.156 0.000 1.409 319 Q HN 0.878 nan 8.270 nan 0.000 0.395 320 A N 1.282 124.053 122.820 -0.082 0.000 2.486 320 A HA 0.420 4.740 4.320 -0.000 0.000 0.300 320 A C -0.185 177.352 177.584 -0.079 0.000 1.048 320 A CA -0.659 51.341 52.037 -0.062 0.000 0.696 320 A CB 1.299 20.275 19.000 -0.039 0.000 1.278 320 A HN 0.756 nan 8.150 nan 0.000 0.405 321 K N 0.166 120.525 120.400 -0.068 0.000 2.281 321 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 321 K C 0.668 177.232 176.600 -0.060 0.000 1.046 321 K CA 1.304 57.550 56.287 -0.069 0.000 0.938 321 K CB 0.026 32.494 32.500 -0.054 0.000 0.737 321 K HN 0.614 nan 8.250 nan 0.000 0.458 322 R N -1.272 119.197 120.500 -0.051 0.000 2.766 322 R HA 0.523 4.863 4.340 -0.000 0.000 0.270 322 R C -1.902 174.374 176.300 -0.041 0.000 1.035 322 R CA -0.792 55.282 56.100 -0.043 0.000 0.911 322 R CB 2.674 32.952 30.300 -0.037 0.000 1.243 322 R HN -0.105 nan 8.270 nan 0.000 0.460 323 V N 1.012 120.904 119.914 -0.037 0.000 2.915 323 V HA 0.479 4.599 4.120 -0.000 0.000 0.273 323 V C -1.923 174.153 176.094 -0.029 0.000 1.538 323 V CA -0.579 61.697 62.300 -0.040 0.000 0.946 323 V CB 1.917 33.719 31.823 -0.035 0.000 1.183 323 V HN 0.618 nan 8.190 nan 0.000 0.446 324 V N 4.739 124.631 119.914 -0.036 0.000 2.789 324 V HA 0.914 5.034 4.120 -0.000 0.000 0.311 324 V C -1.066 175.024 176.094 -0.006 0.000 1.073 324 V CA -0.672 61.622 62.300 -0.010 0.000 0.921 324 V CB 1.860 33.679 31.823 -0.007 0.000 1.009 324 V HN 0.830 nan 8.190 nan 0.000 0.426 325 I N 4.660 125.263 120.570 0.055 0.000 2.689 325 I HA 0.641 4.811 4.170 -0.000 0.000 0.299 325 I C -0.134 176.088 176.117 0.175 0.000 1.059 325 I CA -0.304 61.054 61.300 0.098 0.000 1.055 325 I CB 2.196 40.305 38.000 0.182 0.000 1.243 325 I HN 1.013 nan 8.210 nan 0.000 0.425 326 N N 4.021 122.798 118.700 0.128 0.000 2.701 326 N HA 0.321 5.061 4.740 -0.000 0.000 0.290 326 N C 0.614 176.111 175.510 -0.022 0.000 1.338 326 N CA -0.777 52.368 53.050 0.158 0.000 0.799 326 N CB 1.311 39.844 38.487 0.077 0.000 1.491 326 N HN 0.560 nan 8.380 nan 0.000 0.540 327 K N -0.382 120.019 120.400 0.001 0.000 2.137 327 K HA -0.259 4.061 4.320 -0.000 0.000 0.216 327 K C -0.457 175.852 176.600 -0.484 0.000 1.052 327 K CA 2.930 59.037 56.287 -0.300 0.000 0.939 327 K CB -0.354 32.118 32.500 -0.047 0.000 0.724 327 K HN 0.813 nan 8.250 nan 0.000 0.465 328 D N -1.627 118.639 120.400 -0.223 0.000 2.914 328 D HA 0.144 4.784 4.640 -0.000 0.000 0.349 328 D C -1.072 175.196 176.300 -0.053 0.000 1.540 328 D CA -0.433 53.478 54.000 -0.148 0.000 0.778 328 D CB 0.623 41.371 40.800 -0.086 0.000 1.213 328 D HN -0.023 nan 8.370 nan 0.000 0.451 329 T N -0.200 114.322 114.554 -0.053 0.000 3.295 329 T HA 0.452 4.802 4.350 -0.000 0.000 0.331 329 T C -0.832 173.812 174.700 -0.093 0.000 1.142 329 T CA -0.407 61.672 62.100 -0.036 0.000 1.078 329 T CB 2.024 70.880 68.868 -0.020 0.000 1.150 329 T HN -0.072 nan 8.240 nan 0.000 0.465 330 T N 2.254 116.669 114.554 -0.232 0.000 2.895 330 T HA 0.799 5.149 4.350 -0.000 0.000 0.283 330 T C -0.270 174.107 174.700 -0.537 0.000 1.014 330 T CA -0.621 61.243 62.100 -0.395 0.000 1.037 330 T CB 1.687 70.214 68.868 -0.569 0.000 1.006 330 T HN 0.680 nan 8.240 nan 0.000 0.468 331 T N 2.427 116.772 114.554 -0.349 0.000 3.395 331 T HA 0.538 4.888 4.350 -0.000 0.000 0.330 331 T C -0.942 173.659 174.700 -0.165 0.000 1.076 331 T CA -0.855 61.085 62.100 -0.266 0.000 1.070 331 T CB 0.125 68.895 68.868 -0.163 0.000 1.119 331 T HN 0.631 nan 8.240 nan 0.000 0.462 332 I N 2.753 123.241 120.570 -0.137 0.000 2.607 332 I HA 0.771 4.941 4.170 -0.000 0.000 0.305 332 I C -0.950 175.136 176.117 -0.053 0.000 0.995 332 I CA -1.352 59.904 61.300 -0.073 0.000 1.148 332 I CB 1.763 39.739 38.000 -0.040 0.000 1.323 332 I HN 0.559 nan 8.210 nan 0.000 0.461 333 I N 3.268 123.813 120.570 -0.043 0.000 2.447 333 I HA 0.314 4.484 4.170 -0.000 0.000 0.287 333 I C -1.100 174.997 176.117 -0.033 0.000 1.023 333 I CA -0.374 60.904 61.300 -0.037 0.000 1.083 333 I CB 1.576 39.553 38.000 -0.037 0.000 1.245 333 I HN 0.729 nan 8.210 nan 0.000 0.434 334 D N 5.024 125.408 120.400 -0.027 0.000 4.161 334 D HA -0.108 4.532 4.640 -0.000 0.000 0.246 334 D C -0.070 176.214 176.300 -0.027 0.000 1.064 334 D CA 0.848 54.832 54.000 -0.026 0.000 1.187 334 D CB -0.155 40.626 40.800 -0.031 0.000 0.871 334 D HN 0.823 nan 8.370 nan 0.000 0.413 335 G N 1.407 110.196 108.800 -0.018 0.000 2.390 335 G HA2 0.427 4.387 3.960 -0.000 0.000 0.270 335 G HA3 0.427 4.387 3.960 -0.000 0.000 0.270 335 G C 1.391 176.281 174.900 -0.017 0.000 1.211 335 G CA -0.345 44.747 45.100 -0.014 0.000 0.842 335 G HN 0.394 nan 8.290 nan 0.000 0.519 336 V N 2.661 122.562 119.914 -0.022 0.000 3.305 336 V HA 0.030 4.150 4.120 -0.000 0.000 0.269 336 V C 2.050 178.138 176.094 -0.010 0.000 1.157 336 V CA 0.668 62.955 62.300 -0.022 0.000 1.157 336 V CB -1.123 30.681 31.823 -0.032 0.000 0.772 336 V HN 0.773 nan 8.190 nan 0.000 0.498 337 G N 1.215 110.012 108.800 -0.004 0.000 2.272 337 G HA2 0.073 4.033 3.960 -0.000 0.000 0.247 337 G HA3 0.073 4.033 3.960 -0.000 0.000 0.247 337 G C 0.064 174.963 174.900 -0.001 0.000 1.272 337 G CA -0.276 44.824 45.100 0.001 0.000 0.921 337 G HN 0.321 nan 8.290 nan 0.000 0.495 338 E N 2.297 122.497 120.200 -0.000 0.000 2.558 338 E HA -0.054 4.296 4.350 -0.000 0.000 0.255 338 E C 1.290 177.889 176.600 -0.001 0.000 0.968 338 E CA -0.040 56.359 56.400 -0.001 0.000 0.939 338 E CB 0.738 30.438 29.700 0.000 0.000 0.921 338 E HN 0.561 nan 8.360 nan 0.000 0.477 339 E N 2.717 122.915 120.200 -0.003 0.000 2.097 339 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 339 E C 1.790 178.389 176.600 -0.002 0.000 1.000 339 E CA 1.551 57.949 56.400 -0.003 0.000 0.804 339 E CB -0.259 29.439 29.700 -0.004 0.000 0.740 339 E HN 0.617 nan 8.360 nan 0.000 0.454 340 A N 1.716 124.535 122.820 -0.002 0.000 1.884 340 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 340 A C 2.458 180.041 177.584 -0.001 0.000 1.197 340 A CA 2.886 54.922 52.037 -0.001 0.000 0.637 340 A CB -0.890 18.110 19.000 -0.001 0.000 0.827 340 A HN 0.318 nan 8.150 nan 0.000 0.450 341 A N -0.055 122.765 122.820 -0.000 0.000 1.834 341 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 341 A C 2.133 179.717 177.584 0.000 0.000 1.203 341 A CA 1.642 53.679 52.037 0.001 0.000 0.621 341 A CB -0.881 18.120 19.000 0.002 0.000 0.841 341 A HN 0.526 nan 8.150 nan 0.000 0.446 342 I N -0.371 120.199 120.570 0.001 0.000 2.053 342 I HA -0.384 3.786 4.170 -0.000 0.000 0.236 342 I C 2.798 178.915 176.117 -0.001 0.000 1.038 342 I CA 1.870 63.171 61.300 0.001 0.000 1.304 342 I CB -0.730 37.270 38.000 0.001 0.000 1.023 342 I HN 0.384 nan 8.210 nan 0.000 0.395 343 Q N 0.801 120.600 119.800 -0.002 0.000 2.152 343 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 343 Q C 2.300 178.298 176.000 -0.003 0.000 0.985 343 Q CA 2.002 57.804 55.803 -0.002 0.000 0.863 343 Q CB -1.121 27.615 28.738 -0.003 0.000 0.904 343 Q HN 0.713 nan 8.270 nan 0.000 0.422 344 G N 0.973 109.771 108.800 -0.002 0.000 2.433 344 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.216 344 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.216 344 G C 1.615 176.513 174.900 -0.004 0.000 1.186 344 G CA 1.002 46.100 45.100 -0.003 0.000 0.779 344 G HN 0.303 nan 8.290 nan 0.000 0.543 345 R N 0.290 120.788 120.500 -0.003 0.000 2.119 345 R HA -0.110 4.230 4.340 -0.000 0.000 0.246 345 R C 2.611 178.907 176.300 -0.006 0.000 1.146 345 R CA 1.750 57.847 56.100 -0.005 0.000 0.962 345 R CB -0.950 29.348 30.300 -0.003 0.000 0.863 345 R HN 0.253 nan 8.270 nan 0.000 0.442 346 V N 0.661 120.572 119.914 -0.005 0.000 2.231 346 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 346 V C 2.406 178.495 176.094 -0.008 0.000 1.054 346 V CA 2.180 64.477 62.300 -0.006 0.000 1.015 346 V CB -1.277 30.543 31.823 -0.005 0.000 0.638 346 V HN 0.591 nan 8.190 nan 0.000 0.444 347 A N -0.635 122.181 122.820 -0.007 0.000 1.896 347 A HA -0.384 3.936 4.320 -0.000 0.000 0.220 347 A C 2.149 179.728 177.584 -0.008 0.000 1.206 347 A CA 2.631 54.664 52.037 -0.007 0.000 0.647 347 A CB -0.697 18.300 19.000 -0.005 0.000 0.828 347 A HN 0.698 nan 8.150 nan 0.000 0.455 348 Q N -0.542 119.253 119.800 -0.009 0.000 1.967 348 Q HA -0.217 4.123 4.340 -0.000 0.000 0.210 348 Q C 2.181 178.173 176.000 -0.013 0.000 1.005 348 Q CA 1.937 57.734 55.803 -0.010 0.000 0.862 348 Q CB -0.499 28.233 28.738 -0.010 0.000 0.939 348 Q HN 0.753 nan 8.270 nan 0.000 0.417 349 I N 0.427 120.988 120.570 -0.015 0.000 2.087 349 I HA -0.356 3.814 4.170 -0.000 0.000 0.240 349 I C 2.548 178.654 176.117 -0.018 0.000 1.054 349 I CA 1.163 62.451 61.300 -0.020 0.000 1.311 349 I CB -0.512 37.476 38.000 -0.021 0.000 1.024 349 I HN 0.232 nan 8.210 nan 0.000 0.402 350 R N 0.597 121.088 120.500 -0.015 0.000 2.168 350 R HA -0.312 4.028 4.340 -0.000 0.000 0.242 350 R C 2.143 178.436 176.300 -0.013 0.000 1.123 350 R CA 2.177 58.269 56.100 -0.013 0.000 0.928 350 R CB -1.256 29.038 30.300 -0.010 0.000 0.873 350 R HN 0.562 nan 8.270 nan 0.000 0.434 351 Q N 0.834 120.627 119.800 -0.011 0.000 1.998 351 Q HA -0.257 4.083 4.340 -0.000 0.000 0.209 351 Q C 2.090 178.082 176.000 -0.012 0.000 1.002 351 Q CA 2.268 58.065 55.803 -0.010 0.000 0.858 351 Q CB -0.129 28.603 28.738 -0.009 0.000 0.932 351 Q HN 0.469 nan 8.270 nan 0.000 0.416 352 Q N -0.159 119.632 119.800 -0.015 0.000 2.315 352 Q HA -0.211 4.129 4.340 -0.000 0.000 0.213 352 Q C 1.873 177.861 176.000 -0.020 0.000 0.994 352 Q CA 1.577 57.369 55.803 -0.019 0.000 0.906 352 Q CB -0.358 28.366 28.738 -0.024 0.000 0.918 352 Q HN 0.562 nan 8.270 nan 0.000 0.427 353 I N 1.158 121.716 120.570 -0.019 0.000 3.444 353 I HA -0.168 4.002 4.170 -0.000 0.000 0.287 353 I C 2.273 178.382 176.117 -0.012 0.000 1.302 353 I CA 0.551 61.840 61.300 -0.019 0.000 1.368 353 I CB -0.533 37.456 38.000 -0.018 0.000 1.048 353 I HN 0.322 nan 8.210 nan 0.000 0.487 354 E N 1.405 121.599 120.200 -0.010 0.000 2.106 354 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 354 E C 1.551 178.148 176.600 -0.005 0.000 0.984 354 E CA 1.119 57.514 56.400 -0.007 0.000 0.806 354 E CB -0.199 29.497 29.700 -0.007 0.000 0.750 354 E HN 0.372 nan 8.360 nan 0.000 0.458 355 E N 1.466 121.661 120.200 -0.007 0.000 2.086 355 E HA -0.148 4.202 4.350 -0.000 0.000 0.200 355 E C 1.427 178.026 176.600 -0.001 0.000 1.012 355 E CA 1.730 58.127 56.400 -0.005 0.000 0.812 355 E CB -0.572 29.124 29.700 -0.007 0.000 0.743 355 E HN 0.495 nan 8.360 nan 0.000 0.453 356 A N -0.229 122.590 122.820 -0.003 0.000 2.723 356 A HA -0.313 4.007 4.320 -0.000 0.000 0.305 356 A C 1.349 178.938 177.584 0.010 0.000 1.513 356 A CA 1.465 53.504 52.037 0.002 0.000 0.925 356 A CB -2.396 16.606 19.000 0.002 0.000 0.956 356 A HN 0.269 nan 8.150 nan 0.000 0.508 357 T N -0.421 114.139 114.554 0.010 0.000 3.320 357 T HA 0.320 4.670 4.350 -0.000 0.000 0.258 357 T C 0.484 175.201 174.700 0.028 0.000 1.176 357 T CA 1.361 63.471 62.100 0.016 0.000 1.037 357 T CB -0.507 68.369 68.868 0.013 0.000 0.958 357 T HN 1.555 nan 8.240 nan 0.000 0.545 358 S N -0.215 115.506 115.700 0.035 0.000 2.678 358 S HA 0.143 4.613 4.470 -0.000 0.000 0.290 358 S C -1.310 173.330 174.600 0.067 0.000 1.047 358 S CA -0.796 57.440 58.200 0.059 0.000 0.851 358 S CB 0.683 63.940 63.200 0.095 0.000 1.058 358 S HN 0.064 nan 8.310 nan 0.000 0.451 359 D N 1.558 122.005 120.400 0.079 0.000 2.336 359 D HA 0.156 4.796 4.640 -0.000 0.000 0.229 359 D C 0.681 177.059 176.300 0.130 0.000 1.061 359 D CA 0.507 54.553 54.000 0.077 0.000 0.875 359 D CB 0.042 40.879 40.800 0.061 0.000 0.904 359 D HN 0.498 nan 8.370 nan 0.000 0.525 360 Y N 0.434 120.731 120.300 -0.005 0.000 2.559 360 Y HA 0.103 4.653 4.550 -0.000 0.000 0.279 360 Y C 0.997 176.888 175.900 -0.015 0.000 1.117 360 Y CA 0.646 58.741 58.100 -0.007 0.000 1.263 360 Y CB 0.373 38.829 38.460 -0.007 0.000 1.230 360 Y HN -0.205 nan 8.280 nan 0.000 0.528 361 D N -0.180 120.223 120.400 0.004 0.000 2.162 361 D HA -0.036 4.604 4.640 -0.000 0.000 0.203 361 D C 2.056 178.305 176.300 -0.084 0.000 0.967 361 D CA 1.013 54.958 54.000 -0.090 0.000 0.840 361 D CB -0.129 40.666 40.800 -0.008 0.000 0.972 361 D HN 0.183 nan 8.370 nan 0.000 0.482 362 R N 0.630 121.110 120.500 -0.033 0.000 2.090 362 R HA -0.068 4.272 4.340 -0.000 0.000 0.228 362 R C 2.006 178.281 176.300 -0.041 0.000 1.110 362 R CA 0.953 57.037 56.100 -0.027 0.000 0.973 362 R CB 0.091 30.390 30.300 -0.003 0.000 0.869 362 R HN 0.183 nan 8.270 nan 0.000 0.440 363 E N 0.322 120.497 120.200 -0.042 0.000 2.072 363 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 363 E C 1.547 178.087 176.600 -0.100 0.000 0.985 363 E CA 1.196 57.569 56.400 -0.045 0.000 0.801 363 E CB 0.196 29.893 29.700 -0.005 0.000 0.750 363 E HN 0.005 nan 8.360 nan 0.000 0.452 364 K N 0.724 121.008 120.400 -0.195 0.000 1.965 364 K HA -0.086 4.234 4.320 -0.000 0.000 0.214 364 K C 2.158 178.675 176.600 -0.138 0.000 1.046 364 K CA 1.353 57.500 56.287 -0.233 0.000 0.944 364 K CB -0.722 31.548 32.500 -0.383 0.000 0.726 364 K HN 0.115 nan 8.250 nan 0.000 0.441 365 L N 0.706 121.857 121.223 -0.120 0.000 2.054 365 L HA -0.359 3.981 4.340 -0.000 0.000 0.220 365 L C 2.613 179.449 176.870 -0.057 0.000 1.081 365 L CA 1.689 56.482 54.840 -0.078 0.000 0.780 365 L CB -0.650 41.372 42.059 -0.061 0.000 0.893 365 L HN 0.338 nan 8.230 nan 0.000 0.438 366 Q N 0.541 120.310 119.800 -0.052 0.000 1.956 366 Q HA -0.252 4.088 4.340 -0.000 0.000 0.208 366 Q C 1.959 177.941 176.000 -0.030 0.000 0.998 366 Q CA 2.192 57.975 55.803 -0.034 0.000 0.855 366 Q CB -0.243 28.479 28.738 -0.027 0.000 0.928 366 Q HN 0.452 nan 8.270 nan 0.000 0.418 367 E N -0.285 119.894 120.200 -0.036 0.000 2.086 367 E HA -0.310 4.040 4.350 -0.000 0.000 0.205 367 E C 2.147 178.736 176.600 -0.018 0.000 1.027 367 E CA 1.706 58.092 56.400 -0.024 0.000 0.830 367 E CB -0.280 29.401 29.700 -0.032 0.000 0.751 367 E HN 0.288 nan 8.360 nan 0.000 0.456 368 R N 0.382 120.863 120.500 -0.031 0.000 2.094 368 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 368 R C 2.533 178.826 176.300 -0.012 0.000 1.137 368 R CA 1.731 57.818 56.100 -0.022 0.000 0.943 368 R CB -0.812 29.466 30.300 -0.037 0.000 0.850 368 R HN 0.079 nan 8.270 nan 0.000 0.433 369 V N 1.297 121.201 119.914 -0.017 0.000 2.317 369 V HA -0.349 3.771 4.120 -0.000 0.000 0.251 369 V C 2.482 178.573 176.094 -0.005 0.000 1.065 369 V CA 2.086 64.379 62.300 -0.012 0.000 1.049 369 V CB -0.990 30.824 31.823 -0.014 0.000 0.651 369 V HN 0.497 nan 8.190 nan 0.000 0.450 370 A N -0.188 122.630 122.820 -0.004 0.000 1.834 370 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 370 A C 2.276 179.864 177.584 0.006 0.000 1.203 370 A CA 1.999 54.037 52.037 0.000 0.000 0.621 370 A CB -0.637 18.363 19.000 0.001 0.000 0.841 370 A HN 0.407 nan 8.150 nan 0.000 0.446 371 K N -0.759 119.649 120.400 0.014 0.000 2.049 371 K HA -0.243 4.077 4.320 -0.000 0.000 0.219 371 K C 1.920 178.533 176.600 0.022 0.000 1.056 371 K CA 1.860 58.163 56.287 0.027 0.000 0.946 371 K CB -1.192 31.337 32.500 0.048 0.000 0.723 371 K HN 0.425 nan 8.250 nan 0.000 0.453 372 L N 0.309 121.543 121.223 0.018 0.000 1.961 372 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 372 L C 2.312 179.186 176.870 0.007 0.000 1.075 372 L CA 2.353 57.202 54.840 0.014 0.000 0.749 372 L CB -0.991 41.074 42.059 0.010 0.000 0.890 372 L HN 0.226 nan 8.230 nan 0.000 0.433 373 A N -0.887 121.934 122.820 0.002 0.000 1.840 373 A HA 0.038 4.358 4.320 -0.000 0.000 0.214 373 A C 2.337 179.920 177.584 -0.002 0.000 1.198 373 A CA 1.324 53.361 52.037 -0.001 0.000 0.608 373 A CB -1.711 17.288 19.000 -0.002 0.000 0.839 373 A HN 0.579 nan 8.150 nan 0.000 0.443 374 G N -0.390 108.403 108.800 -0.011 0.000 3.740 374 G HA2 0.031 3.991 3.960 -0.000 0.000 0.234 374 G HA3 0.031 3.991 3.960 -0.000 0.000 0.234 374 G C 1.509 176.407 174.900 -0.003 0.000 1.047 374 G CA 1.736 46.831 45.100 -0.008 0.000 0.686 374 G HN 2.086 nan 8.290 nan 0.000 0.745 375 G N -2.607 106.194 108.800 0.001 0.000 2.856 375 G HA2 0.119 4.079 3.960 -0.000 0.000 0.674 375 G HA3 0.119 4.079 3.960 -0.000 0.000 0.674 375 G C -0.551 174.352 174.900 0.004 0.000 1.519 375 G CA -0.312 44.789 45.100 0.003 0.000 0.940 375 G HN 1.213 nan 8.290 nan 0.000 0.564 376 V N 1.290 121.207 119.914 0.004 0.000 2.409 376 V HA 0.721 4.841 4.120 -0.000 0.000 0.291 376 V C 0.905 176.996 176.094 -0.005 0.000 1.020 376 V CA -0.075 62.226 62.300 0.001 0.000 0.848 376 V CB 1.237 33.062 31.823 0.003 0.000 0.990 376 V HN 1.954 nan 8.190 nan 0.000 0.430 377 A N 5.025 127.841 122.820 -0.007 0.000 2.363 377 A HA 0.764 5.084 4.320 -0.000 0.000 0.270 377 A C -0.103 177.473 177.584 -0.014 0.000 1.121 377 A CA -0.263 51.768 52.037 -0.010 0.000 0.800 377 A CB 0.872 19.867 19.000 -0.010 0.000 1.052 377 A HN 1.410 nan 8.150 nan 0.000 0.493 378 V N 0.754 120.660 119.914 -0.014 0.000 2.960 378 V HA 0.868 4.988 4.120 -0.000 0.000 0.315 378 V C -0.498 175.586 176.094 -0.017 0.000 1.087 378 V CA -0.895 61.395 62.300 -0.018 0.000 0.982 378 V CB 1.562 33.374 31.823 -0.017 0.000 1.039 378 V HN 0.716 nan 8.190 nan 0.000 0.437 379 I N 1.714 122.272 120.570 -0.019 0.000 2.730 379 I HA 0.578 4.748 4.170 -0.000 0.000 0.298 379 I C -0.559 175.548 176.117 -0.017 0.000 1.089 379 I CA -0.815 60.474 61.300 -0.017 0.000 1.041 379 I CB 2.630 40.618 38.000 -0.019 0.000 1.235 379 I HN 0.638 nan 8.210 nan 0.000 0.423 380 K N 4.704 125.095 120.400 -0.014 0.000 2.572 380 K HA 0.413 4.733 4.320 -0.000 0.000 0.244 380 K C -1.089 175.504 176.600 -0.012 0.000 0.965 380 K CA -0.646 55.633 56.287 -0.014 0.000 0.943 380 K CB 2.143 34.635 32.500 -0.013 0.000 1.154 380 K HN 0.278 nan 8.250 nan 0.000 0.447 381 V N 2.747 122.654 119.914 -0.012 0.000 2.458 381 V HA 0.018 4.138 4.120 -0.000 0.000 0.287 381 V C 1.049 177.138 176.094 -0.009 0.000 1.009 381 V CA 0.019 62.313 62.300 -0.010 0.000 1.091 381 V CB 0.296 32.113 31.823 -0.010 0.000 0.960 381 V HN 0.847 nan 8.190 nan 0.000 0.476 382 G N 3.559 112.354 108.800 -0.008 0.000 2.507 382 G HA2 0.718 4.678 3.960 -0.000 0.000 0.271 382 G HA3 0.718 4.678 3.960 -0.000 0.000 0.271 382 G C -0.326 174.570 174.900 -0.006 0.000 1.189 382 G CA 0.230 45.326 45.100 -0.007 0.000 0.859 382 G HN 1.348 nan 8.290 nan 0.000 0.542 383 A N -0.615 122.201 122.820 -0.006 0.000 2.583 383 A HA 0.748 5.068 4.320 -0.000 0.000 0.292 383 A C 0.553 178.134 177.584 -0.005 0.000 1.045 383 A CA 0.397 52.430 52.037 -0.005 0.000 0.672 383 A CB 0.444 19.441 19.000 -0.006 0.000 1.283 383 A HN 1.822 nan 8.150 nan 0.000 0.419 384 A N 0.337 123.155 122.820 -0.005 0.000 1.823 384 A HA 0.378 4.698 4.320 -0.000 0.000 0.214 384 A C 1.534 179.115 177.584 -0.005 0.000 1.225 384 A CA 2.295 54.329 52.037 -0.005 0.000 0.604 384 A CB -0.954 18.043 19.000 -0.004 0.000 0.878 384 A HN 1.891 nan 8.150 nan 0.000 0.450 385 T N -1.456 113.095 114.554 -0.005 0.000 2.913 385 T HA 0.250 4.600 4.350 -0.000 0.000 0.287 385 T C 0.885 175.582 174.700 -0.005 0.000 1.008 385 T CA 0.218 62.315 62.100 -0.005 0.000 1.067 385 T CB 1.226 70.091 68.868 -0.004 0.000 0.996 385 T HN 0.467 nan 8.240 nan 0.000 0.513 386 E N 1.942 122.139 120.200 -0.006 0.000 2.204 386 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 386 E C 1.752 178.349 176.600 -0.006 0.000 0.989 386 E CA 0.837 57.234 56.400 -0.006 0.000 0.824 386 E CB 0.051 29.747 29.700 -0.007 0.000 0.756 386 E HN 0.581 nan 8.360 nan 0.000 0.477 387 V N 1.292 121.203 119.914 -0.005 0.000 2.221 387 V HA -0.269 3.851 4.120 -0.000 0.000 0.242 387 V C 2.461 178.552 176.094 -0.004 0.000 1.041 387 V CA 2.249 64.546 62.300 -0.005 0.000 0.995 387 V CB -0.846 30.975 31.823 -0.004 0.000 0.635 387 V HN 0.398 nan 8.190 nan 0.000 0.448 388 E N -0.265 119.933 120.200 -0.004 0.000 2.086 388 E HA -0.327 4.023 4.350 -0.000 0.000 0.200 388 E C 2.212 178.809 176.600 -0.004 0.000 1.012 388 E CA 2.110 58.508 56.400 -0.004 0.000 0.812 388 E CB -0.225 29.473 29.700 -0.004 0.000 0.743 388 E HN 0.406 nan 8.360 nan 0.000 0.453 389 M N 1.293 120.890 119.600 -0.005 0.000 2.882 389 M HA -0.256 4.224 4.480 -0.000 0.000 0.276 389 M C 2.001 178.297 176.300 -0.006 0.000 1.060 389 M CA 2.141 57.437 55.300 -0.006 0.000 1.072 389 M CB -0.737 31.859 32.600 -0.007 0.000 1.214 389 M HN 0.033 nan 8.290 nan 0.000 0.521 390 K N -0.354 120.043 120.400 -0.006 0.000 2.218 390 K HA -0.203 4.117 4.320 -0.000 0.000 0.205 390 K C 1.964 178.562 176.600 -0.003 0.000 1.046 390 K CA 1.355 57.639 56.287 -0.005 0.000 0.933 390 K CB -0.276 32.220 32.500 -0.006 0.000 0.728 390 K HN 0.428 nan 8.250 nan 0.000 0.454 391 E N 1.980 122.179 120.200 -0.003 0.000 2.006 391 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 391 E C 1.915 178.515 176.600 -0.000 0.000 0.993 391 E CA 1.460 57.860 56.400 -0.001 0.000 0.808 391 E CB -0.041 29.658 29.700 -0.002 0.000 0.764 391 E HN 0.159 nan 8.360 nan 0.000 0.449 392 K N 1.003 121.402 120.400 -0.002 0.000 2.059 392 K HA -0.247 4.073 4.320 -0.000 0.000 0.212 392 K C 2.368 178.967 176.600 -0.002 0.000 1.050 392 K CA 2.229 58.515 56.287 -0.002 0.000 0.927 392 K CB -0.255 32.243 32.500 -0.003 0.000 0.714 392 K HN -0.012 nan 8.250 nan 0.000 0.447 393 K N 0.075 120.473 120.400 -0.003 0.000 2.089 393 K HA -0.244 4.076 4.320 -0.000 0.000 0.210 393 K C 1.912 178.511 176.600 -0.002 0.000 1.048 393 K CA 1.575 57.858 56.287 -0.005 0.000 0.926 393 K CB -0.286 32.209 32.500 -0.007 0.000 0.714 393 K HN 0.300 nan 8.250 nan 0.000 0.448 394 A N 1.494 124.316 122.820 0.003 0.000 1.841 394 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 394 A C 2.097 179.690 177.584 0.016 0.000 1.199 394 A CA 1.927 53.970 52.037 0.010 0.000 0.621 394 A CB -0.713 18.293 19.000 0.010 0.000 0.835 394 A HN 0.418 nan 8.150 nan 0.000 0.445 395 R N -0.661 119.847 120.500 0.012 0.000 2.174 395 R HA -0.162 4.178 4.340 -0.000 0.000 0.253 395 R C 1.962 178.271 176.300 0.015 0.000 1.165 395 R CA 1.577 57.685 56.100 0.014 0.000 0.984 395 R CB -0.790 29.514 30.300 0.008 0.000 0.873 395 R HN 0.445 nan 8.270 nan 0.000 0.456 396 V N 1.039 120.956 119.914 0.006 0.000 2.223 396 V HA -0.261 3.859 4.120 -0.000 0.000 0.244 396 V C 1.969 178.059 176.094 -0.006 0.000 1.045 396 V CA 2.077 64.376 62.300 -0.002 0.000 1.000 396 V CB -0.563 31.255 31.823 -0.010 0.000 0.635 396 V HN 0.361 nan 8.190 nan 0.000 0.445 397 E N 0.124 120.317 120.200 -0.011 0.000 2.171 397 E HA -0.259 4.091 4.350 -0.000 0.000 0.197 397 E C 1.831 178.440 176.600 0.015 0.000 0.997 397 E CA 1.541 57.919 56.400 -0.035 0.000 0.810 397 E CB -0.258 29.431 29.700 -0.019 0.000 0.738 397 E HN 0.642 nan 8.360 nan 0.000 0.467 398 D N 0.629 121.075 120.400 0.076 0.000 2.119 398 D HA -0.179 4.461 4.640 -0.000 0.000 0.199 398 D C 1.977 178.348 176.300 0.119 0.000 0.987 398 D CA 1.551 55.632 54.000 0.136 0.000 0.858 398 D CB -0.794 40.050 40.800 0.073 0.000 1.008 398 D HN 0.158 nan 8.370 nan 0.000 0.450 399 A N 1.280 124.135 122.820 0.059 0.000 1.882 399 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 399 A C 2.357 179.967 177.584 0.044 0.000 1.253 399 A CA 2.375 54.438 52.037 0.043 0.000 0.664 399 A CB -1.386 17.626 19.000 0.020 0.000 0.838 399 A HN 0.378 nan 8.150 nan 0.000 0.460 400 L N -1.581 119.646 121.223 0.006 0.000 2.040 400 L HA -0.374 3.966 4.340 -0.000 0.000 0.228 400 L C 2.626 179.492 176.870 -0.007 0.000 1.092 400 L CA 2.587 57.408 54.840 -0.031 0.000 0.805 400 L CB -0.586 41.416 42.059 -0.095 0.000 0.905 400 L HN 0.621 nan 8.230 nan 0.000 0.443 401 H N -0.352 118.721 119.070 0.005 0.000 2.355 401 H HA -0.263 4.293 4.556 -0.000 0.000 0.293 401 H C 2.169 177.502 175.328 0.009 0.000 1.060 401 H CA 1.894 57.947 56.048 0.008 0.000 1.167 401 H CB -0.856 28.911 29.762 0.009 0.000 1.376 401 H HN 0.597 nan 8.280 nan 0.000 0.549 402 A N 0.384 123.311 122.820 0.179 0.000 1.923 402 A HA -0.321 3.999 4.320 -0.000 0.000 0.222 402 A C 2.703 180.324 177.584 0.062 0.000 1.258 402 A CA 3.362 55.451 52.037 0.087 0.000 0.670 402 A CB -1.416 17.621 19.000 0.061 0.000 0.834 402 A HN 0.610 nan 8.150 nan 0.000 0.470 403 T N -0.583 114.003 114.554 0.052 0.000 2.635 403 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 403 T C 2.009 176.729 174.700 0.034 0.000 1.040 403 T CA 1.717 63.837 62.100 0.033 0.000 1.156 403 T CB -0.309 68.571 68.868 0.020 0.000 0.863 403 T HN 0.582 nan 8.240 nan 0.000 0.430 404 R N 0.870 121.394 120.500 0.040 0.000 2.091 404 R HA -0.039 4.301 4.340 -0.000 0.000 0.238 404 R C 2.835 179.161 176.300 0.045 0.000 1.136 404 R CA 1.404 57.528 56.100 0.039 0.000 0.959 404 R CB -0.531 29.796 30.300 0.044 0.000 0.856 404 R HN 0.405 nan 8.270 nan 0.000 0.437 405 A N 1.142 123.996 122.820 0.057 0.000 1.898 405 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 405 A C 2.389 179.992 177.584 0.031 0.000 1.181 405 A CA 1.518 53.582 52.037 0.044 0.000 0.620 405 A CB -0.655 18.372 19.000 0.046 0.000 0.819 405 A HN 0.394 nan 8.150 nan 0.000 0.442 406 A N -0.317 122.521 122.820 0.030 0.000 1.883 406 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 406 A C 2.248 179.845 177.584 0.020 0.000 1.186 406 A CA 2.031 54.082 52.037 0.023 0.000 0.624 406 A CB -1.125 17.889 19.000 0.022 0.000 0.822 406 A HN 0.411 nan 8.150 nan 0.000 0.444 407 V N 0.253 120.180 119.914 0.022 0.000 2.220 407 V HA -0.343 3.777 4.120 -0.000 0.000 0.246 407 V C 2.399 178.504 176.094 0.019 0.000 1.049 407 V CA 2.464 64.776 62.300 0.019 0.000 1.003 407 V CB -1.207 30.628 31.823 0.020 0.000 0.634 407 V HN 0.691 nan 8.190 nan 0.000 0.444 408 E N 0.138 120.351 120.200 0.022 0.000 2.108 408 E HA -0.268 4.082 4.350 -0.000 0.000 0.203 408 E C 1.537 178.146 176.600 0.015 0.000 1.022 408 E CA 1.887 58.299 56.400 0.020 0.000 0.823 408 E CB -0.152 29.562 29.700 0.023 0.000 0.744 408 E HN 0.738 nan 8.360 nan 0.000 0.456 409 E N -0.637 119.571 120.200 0.014 0.000 2.759 409 E HA 0.264 4.614 4.350 -0.000 0.000 0.220 409 E C 0.352 176.958 176.600 0.010 0.000 0.974 409 E CA 0.094 56.500 56.400 0.010 0.000 1.148 409 E CB 1.435 31.138 29.700 0.005 0.000 1.059 409 E HN 0.243 nan 8.360 nan 0.000 0.493 410 G N 1.443 110.250 108.800 0.013 0.000 2.698 410 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.233 410 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.233 410 G C -0.115 174.792 174.900 0.013 0.000 1.352 410 G CA -0.300 44.808 45.100 0.013 0.000 0.879 410 G HN 0.571 nan 8.290 nan 0.000 0.567 411 V N -2.882 117.039 119.914 0.013 0.000 3.167 411 V HA 1.018 5.138 4.120 -0.000 0.000 0.310 411 V C 0.490 176.592 176.094 0.013 0.000 1.207 411 V CA 0.514 62.822 62.300 0.012 0.000 1.059 411 V CB 1.442 33.273 31.823 0.013 0.000 1.079 411 V HN 2.624 nan 8.190 nan 0.000 0.446 412 V N -2.297 117.625 119.914 0.012 0.000 3.226 412 V HA 0.993 5.113 4.120 -0.000 0.000 0.304 412 V C 0.321 176.422 176.094 0.013 0.000 1.336 412 V CA -0.797 61.512 62.300 0.015 0.000 1.066 412 V CB 0.982 32.814 31.823 0.014 0.000 1.087 412 V HN 2.466 nan 8.190 nan 0.000 0.451 413 A N 0.193 123.023 122.820 0.017 0.000 2.567 413 A HA 0.511 4.831 4.320 -0.000 0.000 0.240 413 A C 1.223 178.809 177.584 0.004 0.000 1.053 413 A CA 0.648 52.693 52.037 0.012 0.000 0.755 413 A CB -0.239 18.773 19.000 0.020 0.000 0.978 413 A HN 2.242 nan 8.150 nan 0.000 0.507 414 G N 1.464 110.260 108.800 -0.006 0.000 3.393 414 G HA2 0.347 4.307 3.960 -0.000 0.000 0.255 414 G HA3 0.347 4.307 3.960 -0.000 0.000 0.255 414 G C 0.775 175.664 174.900 -0.018 0.000 1.097 414 G CA 0.681 45.775 45.100 -0.010 0.000 0.780 414 G HN 1.162 nan 8.290 nan 0.000 0.540 415 G N -0.261 108.525 108.800 -0.023 0.000 3.314 415 G HA2 0.402 4.362 3.960 -0.000 0.000 0.238 415 G HA3 0.402 4.362 3.960 -0.000 0.000 0.238 415 G C 1.190 176.087 174.900 -0.006 0.000 1.184 415 G CA 0.262 45.344 45.100 -0.029 0.000 0.806 415 G HN 1.200 nan 8.290 nan 0.000 0.536 416 G N -1.041 107.760 108.800 0.001 0.000 2.175 416 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.244 416 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.244 416 G C 1.245 176.155 174.900 0.017 0.000 0.982 416 G CA 0.459 45.565 45.100 0.010 0.000 0.641 416 G HN 0.525 nan 8.290 nan 0.000 0.527 417 V N 1.176 121.098 119.914 0.014 0.000 2.220 417 V HA -0.014 4.106 4.120 -0.000 0.000 0.246 417 V C 3.333 179.442 176.094 0.025 0.000 1.049 417 V CA 3.119 65.432 62.300 0.021 0.000 1.003 417 V CB -1.635 30.196 31.823 0.013 0.000 0.634 417 V HN 1.268 nan 8.190 nan 0.000 0.444 418 A N 0.388 123.221 122.820 0.021 0.000 1.923 418 A HA -0.274 4.046 4.320 -0.000 0.000 0.222 418 A C 2.227 179.824 177.584 0.022 0.000 1.258 418 A CA 2.604 54.654 52.037 0.022 0.000 0.670 418 A CB -0.842 18.167 19.000 0.016 0.000 0.834 418 A HN 0.438 nan 8.150 nan 0.000 0.470 419 L N -0.756 120.479 121.223 0.019 0.000 2.017 419 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 419 L C 2.656 179.540 176.870 0.022 0.000 1.073 419 L CA 1.501 56.352 54.840 0.018 0.000 0.745 419 L CB -1.279 40.790 42.059 0.017 0.000 0.894 419 L HN 0.361 nan 8.230 nan 0.000 0.432 420 I N -0.132 120.454 120.570 0.026 0.000 2.151 420 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 420 I C 2.736 178.873 176.117 0.033 0.000 1.080 420 I CA 1.252 62.570 61.300 0.030 0.000 1.339 420 I CB -0.930 37.092 38.000 0.037 0.000 1.039 420 I HN 0.291 nan 8.210 nan 0.000 0.409 421 R N 1.408 121.930 120.500 0.037 0.000 2.147 421 R HA -0.198 4.142 4.340 -0.000 0.000 0.225 421 R C 2.415 178.733 176.300 0.031 0.000 1.120 421 R CA 2.932 59.057 56.100 0.041 0.000 0.891 421 R CB -1.046 29.280 30.300 0.043 0.000 0.822 421 R HN 0.302 nan 8.270 nan 0.000 0.433 422 V N -0.951 118.978 119.914 0.026 0.000 2.277 422 V HA -0.305 3.815 4.120 -0.000 0.000 0.253 422 V C 2.170 178.275 176.094 0.018 0.000 1.067 422 V CA 2.282 64.594 62.300 0.020 0.000 1.047 422 V CB -1.705 30.127 31.823 0.015 0.000 0.649 422 V HN 0.516 nan 8.190 nan 0.000 0.447 423 A N 1.748 124.579 122.820 0.019 0.000 1.841 423 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 423 A C 2.689 180.283 177.584 0.017 0.000 1.199 423 A CA 3.631 55.678 52.037 0.017 0.000 0.621 423 A CB -1.483 17.528 19.000 0.018 0.000 0.835 423 A HN 1.205 nan 8.150 nan 0.000 0.445 424 S N -0.238 115.475 115.700 0.021 0.000 2.402 424 S HA -0.248 4.222 4.470 -0.000 0.000 0.233 424 S C 1.886 176.498 174.600 0.018 0.000 1.030 424 S CA 1.546 59.759 58.200 0.021 0.000 1.003 424 S CB -0.382 62.834 63.200 0.027 0.000 0.813 424 S HN 0.464 nan 8.310 nan 0.000 0.477 425 K N 2.288 122.700 120.400 0.019 0.000 1.970 425 K HA -0.037 4.283 4.320 -0.000 0.000 0.225 425 K C 1.586 178.193 176.600 0.012 0.000 1.045 425 K CA 1.424 57.720 56.287 0.016 0.000 1.002 425 K CB -1.338 31.171 32.500 0.016 0.000 0.743 425 K HN 0.709 nan 8.250 nan 0.000 0.445 426 L N -0.062 121.167 121.223 0.011 0.000 2.436 426 L HA 0.268 4.608 4.340 -0.000 0.000 0.244 426 L C 0.980 177.855 176.870 0.009 0.000 1.396 426 L CA -0.162 54.684 54.840 0.009 0.000 1.217 426 L CB -0.353 41.710 42.059 0.008 0.000 1.420 426 L HN 0.014 nan 8.230 nan 0.000 0.434 427 A N -0.237 122.588 122.820 0.009 0.000 2.275 427 A HA 0.072 4.392 4.320 -0.000 0.000 0.212 427 A C 1.574 179.161 177.584 0.007 0.000 1.201 427 A CA 0.182 52.224 52.037 0.008 0.000 0.843 427 A CB -0.011 18.995 19.000 0.009 0.000 0.873 427 A HN 0.623 nan 8.150 nan 0.000 0.492 428 D N -0.791 119.613 120.400 0.006 0.000 2.369 428 D HA 0.039 4.679 4.640 -0.000 0.000 0.231 428 D C 0.575 176.878 176.300 0.004 0.000 0.967 428 D CA -0.033 53.970 54.000 0.005 0.000 0.905 428 D CB -0.281 40.522 40.800 0.004 0.000 1.044 428 D HN 0.271 nan 8.370 nan 0.000 0.487 429 L N 2.878 124.104 121.223 0.005 0.000 4.017 429 L HA -0.229 4.111 4.340 -0.000 0.000 0.482 429 L C 0.084 176.957 176.870 0.004 0.000 1.045 429 L CA 0.829 55.672 54.840 0.004 0.000 0.650 429 L CB -0.094 41.968 42.059 0.005 0.000 0.973 429 L HN -0.053 nan 8.230 nan 0.000 0.913 430 R N 3.654 124.156 120.500 0.003 0.000 2.923 430 R HA 0.879 5.219 4.340 -0.000 0.000 0.252 430 R C 0.048 176.350 176.300 0.003 0.000 1.130 430 R CA -0.330 55.772 56.100 0.003 0.000 1.043 430 R CB 1.401 31.703 30.300 0.003 0.000 1.205 430 R HN 0.770 nan 8.270 nan 0.000 0.495 431 G N -0.167 108.634 108.800 0.003 0.000 2.658 431 G HA2 0.378 4.338 3.960 -0.000 0.000 0.292 431 G HA3 0.378 4.338 3.960 -0.000 0.000 0.292 431 G C -0.246 174.655 174.900 0.003 0.000 1.320 431 G CA -0.387 44.715 45.100 0.003 0.000 0.933 431 G HN 0.261 nan 8.290 nan 0.000 0.476 432 Q N 0.282 120.084 119.800 0.002 0.000 1.809 432 Q HA -0.057 4.283 4.340 -0.000 0.000 0.269 432 Q C 1.423 177.424 176.000 0.002 0.000 0.984 432 Q CA 0.969 56.773 55.803 0.002 0.000 0.885 432 Q CB -0.524 28.215 28.738 0.002 0.000 0.933 432 Q HN 0.688 nan 8.270 nan 0.000 0.422 433 N N 0.909 119.611 118.700 0.002 0.000 2.407 433 N HA -0.124 4.616 4.740 -0.000 0.000 0.250 433 N C 0.739 176.251 175.510 0.003 0.000 1.236 433 N CA -0.001 53.051 53.050 0.002 0.000 0.879 433 N CB 0.458 38.947 38.487 0.003 0.000 1.088 433 N HN 0.344 nan 8.380 nan 0.000 0.450 434 E N 2.348 122.549 120.200 0.002 0.000 2.160 434 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 434 E C 0.323 176.924 176.600 0.003 0.000 0.991 434 E CA 1.301 57.703 56.400 0.002 0.000 0.810 434 E CB 0.120 29.821 29.700 0.002 0.000 0.742 434 E HN 0.631 nan 8.360 nan 0.000 0.466 435 D N 0.277 120.679 120.400 0.003 0.000 2.351 435 D HA -0.145 4.495 4.640 -0.000 0.000 0.216 435 D C 1.559 177.861 176.300 0.004 0.000 0.968 435 D CA 0.833 54.835 54.000 0.003 0.000 0.899 435 D CB 0.046 40.848 40.800 0.003 0.000 0.907 435 D HN 0.473 nan 8.370 nan 0.000 0.514 436 Q N -0.307 119.495 119.800 0.004 0.000 2.297 436 Q HA 0.035 4.375 4.340 -0.000 0.000 0.203 436 Q C 1.736 177.738 176.000 0.004 0.000 0.931 436 Q CA 0.120 55.925 55.803 0.004 0.000 0.885 436 Q CB 0.198 28.938 28.738 0.004 0.000 0.991 436 Q HN 0.187 nan 8.270 nan 0.000 0.498 437 N N 0.830 119.532 118.700 0.004 0.000 2.043 437 N HA -0.142 4.598 4.740 -0.000 0.000 0.193 437 N C 2.050 177.562 175.510 0.004 0.000 1.037 437 N CA 1.484 54.537 53.050 0.004 0.000 0.851 437 N CB -0.429 38.060 38.487 0.003 0.000 1.027 437 N HN 0.040 nan 8.380 nan 0.000 0.422 438 V N 1.340 121.256 119.914 0.004 0.000 2.252 438 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 438 V C 2.604 178.701 176.094 0.005 0.000 1.056 438 V CA 2.140 64.442 62.300 0.004 0.000 1.022 438 V CB -1.569 30.257 31.823 0.004 0.000 0.641 438 V HN 0.358 nan 8.190 nan 0.000 0.445 439 G N 0.348 109.151 108.800 0.005 0.000 2.513 439 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.219 439 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.219 439 G C 1.523 176.427 174.900 0.006 0.000 1.160 439 G CA 1.578 46.682 45.100 0.006 0.000 0.767 439 G HN 0.554 nan 8.290 nan 0.000 0.571 440 I N 0.003 120.576 120.570 0.006 0.000 2.252 440 I HA -0.087 4.083 4.170 -0.000 0.000 0.245 440 I C 2.766 178.887 176.117 0.007 0.000 1.102 440 I CA 1.173 62.477 61.300 0.006 0.000 1.385 440 I CB -0.223 37.781 38.000 0.005 0.000 1.064 440 I HN 0.019 nan 8.210 nan 0.000 0.414 441 K N 1.112 121.516 120.400 0.006 0.000 1.969 441 K HA -0.135 4.184 4.320 -0.000 0.000 0.216 441 K C 2.007 178.611 176.600 0.007 0.000 1.048 441 K CA 1.471 57.762 56.287 0.007 0.000 0.948 441 K CB -0.928 31.576 32.500 0.006 0.000 0.726 441 K HN 0.021 nan 8.250 nan 0.000 0.442 442 V N 1.315 121.233 119.914 0.007 0.000 2.242 442 V HA -0.407 3.713 4.120 -0.000 0.000 0.257 442 V C 2.213 178.313 176.094 0.009 0.000 1.073 442 V CA 2.355 64.659 62.300 0.008 0.000 1.058 442 V CB -1.161 30.667 31.823 0.008 0.000 0.664 442 V HN 0.513 nan 8.190 nan 0.000 0.451 443 A N -0.296 122.529 122.820 0.009 0.000 1.852 443 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 443 A C 2.182 179.772 177.584 0.011 0.000 1.215 443 A CA 2.616 54.660 52.037 0.010 0.000 0.641 443 A CB -0.815 18.190 19.000 0.009 0.000 0.838 443 A HN 0.501 nan 8.150 nan 0.000 0.450 444 L N -1.207 120.022 121.223 0.010 0.000 1.944 444 L HA -0.262 4.078 4.340 -0.000 0.000 0.218 444 L C 2.822 179.699 176.870 0.011 0.000 1.075 444 L CA 2.166 57.012 54.840 0.011 0.000 0.767 444 L CB -0.630 41.435 42.059 0.010 0.000 0.890 444 L HN 0.546 nan 8.230 nan 0.000 0.434 445 R N 0.348 120.855 120.500 0.011 0.000 2.226 445 R HA -0.231 4.109 4.340 -0.000 0.000 0.246 445 R C 2.032 178.339 176.300 0.011 0.000 1.161 445 R CA 1.451 57.557 56.100 0.011 0.000 0.997 445 R CB -0.223 30.082 30.300 0.009 0.000 0.870 445 R HN 0.442 nan 8.270 nan 0.000 0.465 446 A N 0.374 123.201 122.820 0.012 0.000 2.066 446 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 446 A C 1.984 179.576 177.584 0.014 0.000 1.157 446 A CA 0.923 52.967 52.037 0.013 0.000 0.670 446 A CB -0.209 18.799 19.000 0.013 0.000 0.804 446 A HN 0.370 nan 8.150 nan 0.000 0.453 447 M N -0.688 118.920 119.600 0.014 0.000 2.476 447 M HA -0.047 4.433 4.480 -0.000 0.000 0.262 447 M C 1.357 177.667 176.300 0.017 0.000 1.079 447 M CA 0.868 56.177 55.300 0.015 0.000 1.104 447 M CB -0.236 32.373 32.600 0.015 0.000 1.409 447 M HN 0.417 nan 8.290 nan 0.000 0.467 448 E N 0.776 120.986 120.200 0.016 0.000 2.427 448 E HA -0.004 4.346 4.350 -0.000 0.000 0.196 448 E C 2.075 178.686 176.600 0.017 0.000 1.028 448 E CA 0.432 56.843 56.400 0.018 0.000 0.864 448 E CB 0.032 29.742 29.700 0.016 0.000 0.813 448 E HN 0.487 nan 8.360 nan 0.000 0.514 449 A N 2.478 125.307 122.820 0.015 0.000 1.852 449 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 449 A C -0.307 177.285 177.584 0.015 0.000 1.215 449 A CA 1.661 53.707 52.037 0.014 0.000 0.641 449 A CB -1.735 17.273 19.000 0.013 0.000 0.838 449 A HN 0.125 nan 8.150 nan 0.000 0.450 450 P HA -0.209 nan 4.420 nan 0.000 0.216 450 P C 1.784 179.094 177.300 0.016 0.000 1.167 450 P CA 1.527 64.635 63.100 0.014 0.000 0.914 450 P CB -0.140 31.568 31.700 0.013 0.000 0.793 451 L N -0.446 120.789 121.223 0.021 0.000 1.970 451 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 451 L C 2.383 179.273 176.870 0.032 0.000 1.071 451 L CA 1.979 56.837 54.840 0.030 0.000 0.751 451 L CB -0.981 41.100 42.059 0.036 0.000 0.889 451 L HN -0.211 nan 8.230 nan 0.000 0.432 452 R N -1.005 119.509 120.500 0.024 0.000 2.103 452 R HA -0.251 4.089 4.340 -0.000 0.000 0.242 452 R C 2.342 178.653 176.300 0.019 0.000 1.142 452 R CA 1.696 57.808 56.100 0.019 0.000 0.960 452 R CB -0.507 29.802 30.300 0.014 0.000 0.858 452 R HN 0.462 nan 8.270 nan 0.000 0.439 453 Q N 0.862 120.672 119.800 0.017 0.000 2.084 453 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 453 Q C 1.853 177.862 176.000 0.016 0.000 0.978 453 Q CA 1.568 57.379 55.803 0.014 0.000 0.844 453 Q CB -0.062 28.682 28.738 0.011 0.000 0.898 453 Q HN 0.233 nan 8.270 nan 0.000 0.426 454 I N -0.342 120.240 120.570 0.019 0.000 2.076 454 I HA -0.251 3.919 4.170 -0.000 0.000 0.237 454 I C 2.256 178.394 176.117 0.035 0.000 1.059 454 I CA 1.070 62.382 61.300 0.020 0.000 1.317 454 I CB -1.528 36.483 38.000 0.018 0.000 1.037 454 I HN 0.099 nan 8.210 nan 0.000 0.398 455 V N 1.226 121.175 119.914 0.058 0.000 2.277 455 V HA -0.311 3.809 4.120 -0.000 0.000 0.253 455 V C 2.647 178.765 176.094 0.040 0.000 1.067 455 V CA 2.036 64.380 62.300 0.074 0.000 1.047 455 V CB -0.892 30.958 31.823 0.046 0.000 0.649 455 V HN 0.360 nan 8.190 nan 0.000 0.447 456 L N 1.004 122.242 121.223 0.025 0.000 1.989 456 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 456 L C 2.198 179.077 176.870 0.015 0.000 1.071 456 L CA 2.184 57.034 54.840 0.016 0.000 0.749 456 L CB -1.127 40.939 42.059 0.012 0.000 0.890 456 L HN 0.342 nan 8.230 nan 0.000 0.431 457 N N -0.885 117.824 118.700 0.014 0.000 2.289 457 N HA -0.161 4.579 4.740 -0.000 0.000 0.184 457 N C 1.663 177.179 175.510 0.010 0.000 1.016 457 N CA 1.620 54.676 53.050 0.009 0.000 0.872 457 N CB -0.754 37.737 38.487 0.006 0.000 0.973 457 N HN 0.463 nan 8.380 nan 0.000 0.433 458 C N -0.597 118.714 119.300 0.018 0.000 2.576 458 C HA 0.324 4.784 4.460 -0.000 0.000 0.267 458 C C 1.652 176.656 174.990 0.022 0.000 1.364 458 C CA 0.117 59.147 59.018 0.020 0.000 1.723 458 C CB -1.054 26.707 27.740 0.036 0.000 1.778 458 C HN 0.602 nan 8.230 nan 0.000 0.572 459 G N 1.063 109.875 108.800 0.019 0.000 2.136 459 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.242 459 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.242 459 G C -0.237 174.673 174.900 0.018 0.000 0.989 459 G CA 0.128 45.237 45.100 0.016 0.000 0.682 459 G HN 0.517 nan 8.290 nan 0.000 0.522 460 E N 0.164 120.378 120.200 0.023 0.000 2.239 460 E HA 0.418 4.768 4.350 -0.000 0.000 0.261 460 E C 0.084 176.682 176.600 -0.004 0.000 1.016 460 E CA -0.849 55.560 56.400 0.014 0.000 0.882 460 E CB 0.645 30.364 29.700 0.031 0.000 1.190 460 E HN 0.215 nan 8.360 nan 0.000 0.415 461 E N 2.136 122.323 120.200 -0.023 0.000 2.220 461 E HA 0.069 4.419 4.350 -0.000 0.000 0.272 461 E C -1.748 174.831 176.600 -0.034 0.000 1.099 461 E CA -1.494 54.891 56.400 -0.025 0.000 0.907 461 E CB 0.695 30.377 29.700 -0.029 0.000 1.022 461 E HN 0.186 nan 8.360 nan 0.000 0.428 462 P HA -0.175 nan 4.420 nan 0.000 0.208 462 P C 1.547 178.837 177.300 -0.017 0.000 1.200 462 P CA 1.648 64.740 63.100 -0.013 0.000 0.924 462 P CB 0.023 31.723 31.700 -0.001 0.000 0.774 463 S N -0.523 115.172 115.700 -0.010 0.000 2.408 463 S HA -0.239 4.231 4.470 -0.000 0.000 0.241 463 S C 2.002 176.595 174.600 -0.012 0.000 1.080 463 S CA 2.326 60.522 58.200 -0.007 0.000 1.109 463 S CB -2.035 61.161 63.200 -0.005 0.000 0.966 463 S HN -0.065 nan 8.310 nan 0.000 0.449 464 V N 1.644 121.545 119.914 -0.021 0.000 2.229 464 V HA -0.140 3.980 4.120 -0.000 0.000 0.243 464 V C 2.716 178.792 176.094 -0.030 0.000 1.042 464 V CA 1.776 64.060 62.300 -0.026 0.000 1.000 464 V CB -0.963 30.842 31.823 -0.031 0.000 0.637 464 V HN 0.490 nan 8.190 nan 0.000 0.446 465 V N 0.305 120.179 119.914 -0.067 0.000 2.252 465 V HA -0.339 3.781 4.120 -0.000 0.000 0.249 465 V C 2.733 178.833 176.094 0.009 0.000 1.056 465 V CA 2.299 64.547 62.300 -0.086 0.000 1.022 465 V CB -1.374 30.267 31.823 -0.303 0.000 0.641 465 V HN 0.584 nan 8.190 nan 0.000 0.445 466 A N 0.736 123.555 122.820 -0.001 0.000 1.870 466 A HA -0.434 3.886 4.320 -0.000 0.000 0.219 466 A C 2.027 179.628 177.584 0.029 0.000 1.224 466 A CA 3.053 55.104 52.037 0.023 0.000 0.650 466 A CB -1.279 17.729 19.000 0.014 0.000 0.836 466 A HN 0.726 nan 8.150 nan 0.000 0.454 467 N N -0.338 118.370 118.700 0.013 0.000 2.055 467 N HA -0.266 4.474 4.740 -0.000 0.000 0.200 467 N C 1.793 177.310 175.510 0.012 0.000 1.037 467 N CA 4.204 57.260 53.050 0.009 0.000 0.881 467 N CB -0.965 37.520 38.487 -0.004 0.000 1.075 467 N HN 0.606 nan 8.380 nan 0.000 0.470 468 T N -2.270 112.279 114.554 -0.007 0.000 2.849 468 T HA -0.091 4.259 4.350 -0.000 0.000 0.270 468 T C 1.920 176.634 174.700 0.022 0.000 1.066 468 T CA 1.643 63.718 62.100 -0.043 0.000 1.130 468 T CB -0.818 67.933 68.868 -0.195 0.000 0.864 468 T HN 0.087 nan 8.240 nan 0.000 0.481 469 V N 1.423 121.379 119.914 0.070 0.000 2.453 469 V HA -0.055 4.065 4.120 -0.000 0.000 0.247 469 V C 2.862 179.020 176.094 0.108 0.000 1.048 469 V CA 1.338 63.695 62.300 0.095 0.000 1.049 469 V CB -0.455 31.424 31.823 0.094 0.000 0.672 469 V HN 0.429 nan 8.190 nan 0.000 0.457 470 K N 0.867 121.311 120.400 0.074 0.000 2.057 470 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 470 K C 2.278 178.921 176.600 0.072 0.000 1.049 470 K CA 1.512 57.836 56.287 0.063 0.000 0.931 470 K CB -1.038 31.485 32.500 0.039 0.000 0.714 470 K HN 0.519 nan 8.250 nan 0.000 0.440 471 G N 1.592 110.433 108.800 0.068 0.000 2.586 471 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 471 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 471 G C 1.089 176.035 174.900 0.076 0.000 1.216 471 G CA 1.351 46.484 45.100 0.056 0.000 0.786 471 G HN 0.462 nan 8.290 nan 0.000 0.583 472 G N -0.689 108.216 108.800 0.174 0.000 2.518 472 G HA2 0.406 4.366 3.960 -0.000 0.000 0.284 472 G HA3 0.406 4.366 3.960 -0.000 0.000 0.284 472 G C -0.375 174.611 174.900 0.143 0.000 1.362 472 G CA 0.332 45.534 45.100 0.170 0.000 1.065 472 G HN 0.386 nan 8.290 nan 0.000 0.561 473 D N -2.509 117.968 120.400 0.129 0.000 2.664 473 D HA 0.502 5.142 4.640 -0.000 0.000 0.292 473 D C 0.734 177.107 176.300 0.122 0.000 1.214 473 D CA 0.556 54.614 54.000 0.097 0.000 0.932 473 D CB 1.204 42.026 40.800 0.036 0.000 1.420 473 D HN 1.008 nan 8.370 nan 0.000 0.471 474 G N 0.987 109.838 108.800 0.085 0.000 2.574 474 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.286 474 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.286 474 G C 0.192 175.154 174.900 0.104 0.000 1.212 474 G CA 0.070 45.219 45.100 0.082 0.000 0.979 474 G HN 0.536 nan 8.290 nan 0.000 0.557 475 N N 0.489 119.254 118.700 0.108 0.000 2.327 475 N HA 0.149 4.889 4.740 -0.000 0.000 0.231 475 N C -0.065 175.535 175.510 0.150 0.000 1.130 475 N CA 0.097 53.207 53.050 0.101 0.000 0.845 475 N CB 0.259 38.788 38.487 0.070 0.000 1.073 475 N HN 0.475 nan 8.380 nan 0.000 0.496 476 Y N 1.358 121.690 120.300 0.053 0.000 2.402 476 Y HA 0.445 4.995 4.550 -0.000 0.000 0.333 476 Y C 0.651 176.616 175.900 0.108 0.000 1.076 476 Y CA -0.281 57.864 58.100 0.075 0.000 1.299 476 Y CB 0.279 38.778 38.460 0.064 0.000 1.197 476 Y HN 0.087 nan 8.280 nan 0.000 0.517 477 G N 4.278 112.880 108.800 -0.329 0.000 2.749 477 G HA2 0.308 4.268 3.960 -0.000 0.000 0.300 477 G HA3 0.308 4.268 3.960 -0.000 0.000 0.300 477 G C -2.447 172.338 174.900 -0.192 0.000 1.352 477 G CA -0.896 44.059 45.100 -0.242 0.000 0.789 477 G HN 0.563 nan 8.290 nan 0.000 0.509 478 Y N 1.320 121.476 120.300 -0.239 0.000 2.352 478 Y HA 0.626 5.176 4.550 -0.000 0.000 0.339 478 Y C -0.403 175.317 175.900 -0.299 0.000 0.992 478 Y CA -1.590 56.240 58.100 -0.450 0.000 1.100 478 Y CB 1.772 39.829 38.460 -0.670 0.000 1.192 478 Y HN 0.425 nan 8.280 nan 0.000 0.458 479 N N 4.732 122.953 118.700 -0.799 0.000 2.462 479 N HA 0.246 4.986 4.740 -0.000 0.000 0.242 479 N C 0.374 175.260 175.510 -1.041 0.000 1.010 479 N CA 0.564 53.223 53.050 -0.652 0.000 0.939 479 N CB 1.624 39.886 38.487 -0.374 0.000 1.127 479 N HN 0.955 nan 8.380 nan 0.000 0.509 480 A N 4.055 126.384 122.820 -0.819 0.000 1.933 480 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 480 A C 2.047 179.423 177.584 -0.348 0.000 1.175 480 A CA 1.802 53.479 52.037 -0.600 0.000 0.628 480 A CB -0.647 18.221 19.000 -0.219 0.000 0.814 480 A HN 0.734 nan 8.150 nan 0.000 0.444 481 A N -0.658 122.001 122.820 -0.268 0.000 2.019 481 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 481 A C 2.225 179.716 177.584 -0.155 0.000 1.164 481 A CA 2.437 54.375 52.037 -0.164 0.000 0.644 481 A CB -0.783 18.140 19.000 -0.129 0.000 0.805 481 A HN 0.871 nan 8.150 nan 0.000 0.449 482 T N -5.122 109.301 114.554 -0.217 0.000 2.975 482 T HA 0.280 4.630 4.350 -0.000 0.000 0.257 482 T C 0.306 174.912 174.700 -0.156 0.000 1.003 482 T CA 0.699 62.707 62.100 -0.153 0.000 0.932 482 T CB -0.114 68.679 68.868 -0.125 0.000 1.087 482 T HN 0.542 nan 8.240 nan 0.000 0.512 483 E N 0.757 120.775 120.200 -0.305 0.000 2.868 483 E HA -0.155 4.195 4.350 -0.000 0.000 0.278 483 E C -0.786 175.814 176.600 -0.000 0.000 1.009 483 E CA 0.623 56.952 56.400 -0.119 0.000 0.856 483 E CB -1.693 28.052 29.700 0.076 0.000 1.428 483 E HN 0.750 nan 8.360 nan 0.000 0.423 484 E N 0.010 120.090 120.200 -0.201 0.000 2.199 484 E HA 0.367 4.717 4.350 -0.000 0.000 0.265 484 E C -0.715 175.849 176.600 -0.061 0.000 0.882 484 E CA -0.626 55.762 56.400 -0.020 0.000 0.759 484 E CB 1.030 30.733 29.700 0.004 0.000 1.148 484 E HN 0.044 nan 8.360 nan 0.000 0.412 485 Y N 1.111 121.490 120.300 0.133 0.000 2.295 485 Y HA 0.603 5.153 4.550 -0.000 0.000 0.331 485 Y C 1.324 177.252 175.900 0.046 0.000 1.311 485 Y CA 0.487 58.598 58.100 0.017 0.000 1.430 485 Y CB 1.085 39.518 38.460 -0.045 0.000 1.339 485 Y HN 0.711 nan 8.280 nan 0.000 0.552 486 G N 0.167 109.055 108.800 0.148 0.000 2.441 486 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.222 486 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.222 486 G C -1.613 173.453 174.900 0.276 0.000 1.254 486 G CA -1.007 44.288 45.100 0.326 0.000 0.959 486 G HN 0.550 nan 8.290 nan 0.000 0.474 487 N N 1.636 120.453 118.700 0.195 0.000 2.558 487 N HA 0.193 4.933 4.740 -0.000 0.000 0.233 487 N C 1.890 177.439 175.510 0.065 0.000 1.038 487 N CA -0.531 52.605 53.050 0.144 0.000 0.934 487 N CB 0.575 39.131 38.487 0.115 0.000 1.175 487 N HN 0.395 nan 8.380 nan 0.000 0.512 488 M N 2.783 122.404 119.600 0.035 0.000 2.116 488 M HA -0.254 4.226 4.480 -0.000 0.000 0.255 488 M C 1.668 177.971 176.300 0.004 0.000 1.075 488 M CA 1.541 56.839 55.300 -0.004 0.000 1.087 488 M CB -0.675 31.917 32.600 -0.013 0.000 1.340 488 M HN 0.556 nan 8.290 nan 0.000 0.402 489 I N -0.135 120.448 120.570 0.021 0.000 2.202 489 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 489 I C 1.965 178.092 176.117 0.017 0.000 1.091 489 I CA 1.175 62.485 61.300 0.017 0.000 1.368 489 I CB -0.554 37.460 38.000 0.024 0.000 1.058 489 I HN 0.210 nan 8.210 nan 0.000 0.410 490 D N 0.900 121.316 120.400 0.027 0.000 2.123 490 D HA -0.177 4.463 4.640 -0.000 0.000 0.196 490 D C 2.125 178.434 176.300 0.015 0.000 0.992 490 D CA 1.424 55.439 54.000 0.025 0.000 0.833 490 D CB -0.251 40.571 40.800 0.037 0.000 0.954 490 D HN 0.314 nan 8.370 nan 0.000 0.455 491 M N -0.500 119.107 119.600 0.012 0.000 2.700 491 M HA 0.070 4.550 4.480 -0.000 0.000 0.249 491 M C 1.053 177.344 176.300 -0.016 0.000 1.082 491 M CA 0.819 56.116 55.300 -0.006 0.000 1.077 491 M CB -0.018 32.569 32.600 -0.022 0.000 1.477 491 M HN 0.093 nan 8.290 nan 0.000 0.529 492 G N 1.674 110.469 108.800 -0.009 0.000 2.176 492 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.252 492 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.252 492 G C -0.175 174.714 174.900 -0.019 0.000 1.024 492 G CA -0.317 44.776 45.100 -0.011 0.000 0.755 492 G HN 0.421 nan 8.290 nan 0.000 0.507 493 I N 1.197 121.753 120.570 -0.023 0.000 2.502 493 I HA 0.542 4.712 4.170 -0.000 0.000 0.276 493 I C 0.565 176.670 176.117 -0.019 0.000 1.057 493 I CA -0.754 60.527 61.300 -0.032 0.000 1.163 493 I CB 0.223 38.189 38.000 -0.057 0.000 1.288 493 I HN 0.375 nan 8.210 nan 0.000 0.479 494 L N 2.643 123.859 121.223 -0.012 0.000 2.389 494 L HA 0.879 5.219 4.340 -0.000 0.000 0.249 494 L C -1.413 175.455 176.870 -0.002 0.000 1.083 494 L CA -0.833 54.005 54.840 -0.003 0.000 0.876 494 L CB 2.623 44.684 42.059 0.003 0.000 1.489 494 L HN 0.007 nan 8.230 nan 0.000 0.412 495 D N -0.390 120.012 120.400 0.003 0.000 2.964 495 D HA 0.416 5.056 4.640 -0.000 0.000 0.234 495 D C -2.803 173.502 176.300 0.008 0.000 1.223 495 D CA -1.080 52.922 54.000 0.004 0.000 0.889 495 D CB 2.581 43.383 40.800 0.002 0.000 1.609 495 D HN 0.298 nan 8.370 nan 0.000 0.523 496 P HA 0.011 nan 4.420 nan 0.000 0.261 496 P C 0.934 178.240 177.300 0.009 0.000 1.183 496 P CA 0.256 63.364 63.100 0.013 0.000 0.761 496 P CB 0.628 32.340 31.700 0.019 0.000 0.785 497 T N 3.125 117.684 114.554 0.009 0.000 2.649 497 T HA -0.277 4.073 4.350 -0.000 0.000 0.268 497 T C 1.642 176.342 174.700 0.000 0.000 1.036 497 T CA 1.634 63.737 62.100 0.005 0.000 1.157 497 T CB -0.377 68.494 68.868 0.006 0.000 0.861 497 T HN 0.514 nan 8.240 nan 0.000 0.445 498 K N 0.729 121.130 120.400 0.002 0.000 2.034 498 K HA -0.188 4.132 4.320 -0.000 0.000 0.214 498 K C 2.448 179.043 176.600 -0.009 0.000 1.051 498 K CA 2.120 58.405 56.287 -0.004 0.000 0.931 498 K CB -0.520 31.983 32.500 0.005 0.000 0.715 498 K HN 0.385 nan 8.250 nan 0.000 0.446 499 V N -0.798 119.116 119.914 -0.000 0.000 2.287 499 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 499 V C 1.966 178.061 176.094 0.002 0.000 1.053 499 V CA 2.444 64.745 62.300 0.002 0.000 1.027 499 V CB -1.367 30.457 31.823 0.002 0.000 0.646 499 V HN 0.354 nan 8.190 nan 0.000 0.447 500 T N 0.351 114.906 114.554 0.001 0.000 2.665 500 T HA -0.270 4.080 4.350 -0.000 0.000 0.268 500 T C 1.947 176.645 174.700 -0.004 0.000 1.035 500 T CA 2.585 64.686 62.100 0.002 0.000 1.151 500 T CB -0.445 68.424 68.868 0.003 0.000 0.862 500 T HN 0.655 nan 8.240 nan 0.000 0.438 501 R N 0.910 121.401 120.500 -0.016 0.000 2.088 501 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 501 R C 2.662 178.927 176.300 -0.059 0.000 1.136 501 R CA 2.011 58.090 56.100 -0.035 0.000 0.926 501 R CB -0.594 29.681 30.300 -0.043 0.000 0.837 501 R HN 0.301 nan 8.270 nan 0.000 0.429 502 S N 0.939 116.593 115.700 -0.078 0.000 2.412 502 S HA -0.344 4.126 4.470 -0.000 0.000 0.246 502 S C 2.085 176.657 174.600 -0.047 0.000 1.073 502 S CA 1.757 59.876 58.200 -0.135 0.000 1.186 502 S CB -0.912 62.258 63.200 -0.049 0.000 1.084 502 S HN 0.643 nan 8.310 nan 0.000 0.434 503 A N 2.266 125.111 122.820 0.042 0.000 1.870 503 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 503 A C 2.146 179.776 177.584 0.075 0.000 1.224 503 A CA 2.011 54.100 52.037 0.087 0.000 0.650 503 A CB -1.176 17.853 19.000 0.049 0.000 0.836 503 A HN 0.455 nan 8.150 nan 0.000 0.454 504 L N -0.310 120.930 121.223 0.029 0.000 2.043 504 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 504 L C 2.582 179.463 176.870 0.018 0.000 1.075 504 L CA 2.722 57.575 54.840 0.021 0.000 0.752 504 L CB -1.141 40.921 42.059 0.005 0.000 0.891 504 L HN 0.616 nan 8.230 nan 0.000 0.432 505 Q N -1.398 118.387 119.800 -0.025 0.000 2.046 505 Q HA -0.235 4.105 4.340 -0.000 0.000 0.200 505 Q C 2.105 178.120 176.000 0.025 0.000 0.975 505 Q CA 1.679 57.451 55.803 -0.053 0.000 0.836 505 Q CB -0.300 28.338 28.738 -0.167 0.000 0.896 505 Q HN 0.448 nan 8.270 nan 0.000 0.428 506 Y N 0.683 120.982 120.300 -0.001 0.000 2.165 506 Y HA -0.223 4.327 4.550 -0.000 0.000 0.286 506 Y C 2.434 178.334 175.900 -0.001 0.000 1.155 506 Y CA 0.823 58.922 58.100 -0.001 0.000 1.164 506 Y CB -0.932 37.526 38.460 -0.003 0.000 0.978 506 Y HN 0.147 nan 8.280 nan 0.000 0.513 507 A N -0.008 122.916 122.820 0.174 0.000 1.865 507 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 507 A C 2.549 180.176 177.584 0.072 0.000 1.191 507 A CA 2.334 54.426 52.037 0.092 0.000 0.623 507 A CB -1.382 17.655 19.000 0.062 0.000 0.826 507 A HN 0.401 nan 8.150 nan 0.000 0.444 508 A N -0.613 122.244 122.820 0.062 0.000 1.892 508 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 508 A C 2.468 180.083 177.584 0.052 0.000 1.188 508 A CA 2.570 54.634 52.037 0.044 0.000 0.631 508 A CB -1.254 17.763 19.000 0.029 0.000 0.822 508 A HN 0.730 nan 8.150 nan 0.000 0.447 509 S N -0.834 114.914 115.700 0.079 0.000 2.427 509 S HA -0.224 4.246 4.470 -0.000 0.000 0.231 509 S C 1.979 176.617 174.600 0.064 0.000 1.045 509 S CA 2.429 60.681 58.200 0.088 0.000 1.154 509 S CB -1.000 62.301 63.200 0.169 0.000 1.093 509 S HN 0.893 nan 8.310 nan 0.000 0.422 510 V N 2.196 122.149 119.914 0.065 0.000 2.324 510 V HA -0.138 3.982 4.120 -0.000 0.000 0.250 510 V C 2.622 178.731 176.094 0.026 0.000 1.060 510 V CA 2.494 64.814 62.300 0.034 0.000 1.042 510 V CB -1.482 30.352 31.823 0.018 0.000 0.650 510 V HN 0.689 nan 8.190 nan 0.000 0.450 511 A N 0.250 123.087 122.820 0.029 0.000 1.842 511 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 511 A C 2.479 180.074 177.584 0.018 0.000 1.206 511 A CA 2.414 54.464 52.037 0.021 0.000 0.630 511 A CB -1.786 17.227 19.000 0.022 0.000 0.839 511 A HN 0.759 nan 8.150 nan 0.000 0.447 512 G N -0.747 108.065 108.800 0.020 0.000 2.469 512 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 512 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 512 G C 1.431 176.340 174.900 0.015 0.000 1.136 512 G CA 1.292 46.402 45.100 0.016 0.000 0.759 512 G HN 0.374 nan 8.290 nan 0.000 0.562 513 L N 0.355 121.589 121.223 0.018 0.000 1.990 513 L HA -0.090 4.250 4.340 -0.000 0.000 0.213 513 L C 3.053 179.928 176.870 0.009 0.000 1.072 513 L CA 1.809 56.658 54.840 0.015 0.000 0.755 513 L CB -0.487 41.582 42.059 0.017 0.000 0.889 513 L HN 0.274 nan 8.230 nan 0.000 0.432 514 M N -1.553 118.052 119.600 0.008 0.000 2.077 514 M HA -0.225 4.255 4.480 -0.000 0.000 0.261 514 M C 2.213 178.514 176.300 0.002 0.000 1.070 514 M CA 1.792 57.094 55.300 0.003 0.000 1.125 514 M CB -0.483 32.119 32.600 0.003 0.000 1.339 514 M HN 0.172 nan 8.290 nan 0.000 0.409 515 I N 0.330 120.902 120.570 0.005 0.000 2.479 515 I HA -0.286 3.884 4.170 -0.000 0.000 0.258 515 I C 1.935 178.056 176.117 0.006 0.000 1.165 515 I CA 1.662 62.965 61.300 0.005 0.000 1.422 515 I CB -0.845 37.160 38.000 0.007 0.000 1.087 515 I HN 0.476 nan 8.210 nan 0.000 0.441 516 T N -4.207 110.351 114.554 0.006 0.000 3.092 516 T HA 0.137 4.487 4.350 -0.000 0.000 0.258 516 T C 0.648 175.351 174.700 0.005 0.000 1.031 516 T CA -0.252 61.852 62.100 0.008 0.000 0.925 516 T CB -0.259 68.614 68.868 0.009 0.000 1.036 516 T HN -0.007 nan 8.240 nan 0.000 0.544 517 T N 2.844 117.398 114.554 0.000 0.000 2.780 517 T HA 0.285 4.635 4.350 -0.000 0.000 0.294 517 T C 0.570 175.264 174.700 -0.009 0.000 0.949 517 T CA -0.439 61.656 62.100 -0.008 0.000 1.074 517 T CB 1.335 70.194 68.868 -0.015 0.000 0.910 517 T HN 0.118 nan 8.240 nan 0.000 0.501 518 E N 0.572 120.767 120.200 -0.008 0.000 2.490 518 E HA 0.179 4.529 4.350 -0.000 0.000 0.209 518 E C 0.200 176.776 176.600 -0.040 0.000 0.971 518 E CA 0.055 56.464 56.400 0.015 0.000 0.988 518 E CB 0.742 30.478 29.700 0.060 0.000 1.029 518 E HN 0.554 nan 8.360 nan 0.000 0.496 519 C N 0.345 119.571 119.300 -0.123 0.000 2.994 519 C HA 0.720 5.180 4.460 -0.000 0.000 0.305 519 C C -1.504 173.365 174.990 -0.202 0.000 1.251 519 C CA -0.536 58.301 59.018 -0.301 0.000 1.478 519 C CB 0.856 28.362 27.740 -0.390 0.000 1.922 519 C HN 0.142 nan 8.230 nan 0.000 0.472 520 M N 4.457 123.922 119.600 -0.224 0.000 2.277 520 M HA 0.500 4.980 4.480 -0.000 0.000 0.282 520 M C -1.222 175.155 176.300 0.129 0.000 1.074 520 M CA -0.390 54.903 55.300 -0.012 0.000 0.954 520 M CB 2.015 34.633 32.600 0.029 0.000 1.672 520 M HN 0.384 nan 8.290 nan 0.000 0.471 521 V N 1.190 121.167 119.914 0.105 0.000 2.715 521 V HA 0.927 5.047 4.120 -0.000 0.000 0.310 521 V C -0.175 175.928 176.094 0.015 0.000 1.054 521 V CA -0.371 61.972 62.300 0.071 0.000 0.928 521 V CB 2.171 33.995 31.823 0.001 0.000 1.007 521 V HN 0.951 nan 8.190 nan 0.000 0.437 522 T N 1.051 115.560 114.554 -0.076 0.000 2.686 522 T HA 0.270 4.620 4.350 -0.000 0.000 0.308 522 T C -1.796 172.802 174.700 -0.170 0.000 1.667 522 T CA -0.599 61.392 62.100 -0.181 0.000 0.987 522 T CB 1.798 70.423 68.868 -0.404 0.000 1.652 522 T HN 0.643 nan 8.240 nan 0.000 0.496 523 D N 1.184 121.488 120.400 -0.159 0.000 2.371 523 D HA 0.407 5.047 4.640 -0.000 0.000 0.242 523 D C 0.197 176.413 176.300 -0.140 0.000 1.218 523 D CA -0.096 53.834 54.000 -0.117 0.000 0.945 523 D CB 0.474 41.221 40.800 -0.089 0.000 1.137 523 D HN 0.423 nan 8.370 nan 0.000 0.464 524 L N 2.105 123.276 121.223 -0.087 0.000 2.375 524 L HA 0.182 4.522 4.340 -0.000 0.000 0.271 524 L C -0.522 176.307 176.870 -0.069 0.000 1.107 524 L CA -1.338 53.459 54.840 -0.073 0.000 0.806 524 L CB 0.712 42.750 42.059 -0.035 0.000 1.146 524 L HN 0.348 nan 8.230 nan 0.000 0.447 525 P HA -0.095 nan 4.420 nan 0.000 0.213 525 P C 0.124 177.404 177.300 -0.033 0.000 1.170 525 P CA 1.521 64.592 63.100 -0.049 0.000 0.902 525 P CB 0.185 31.865 31.700 -0.033 0.000 0.789 526 K N 0.000 120.386 120.400 -0.023 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543