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 2c1z_1_A DATA FIRST_RESID 6 DATA SEQUENCE TNPHVAVLAF PFSTHAAPLL AVVRRLAAAA PHAVFSFFST SQSNASIFHD DATA SEQUENCE XXHTMQCNIK SYDISDGVPE GYVFAGRPQE DIELFTRAAP ESFRQGMVMA DATA SEQUENCE VAETGRPVSC LVADAFIWFA ADMAAEMGVA WLPFWTAGPN SLSTHVYIDE DATA SEQUENCE IREKIGVSGI QGREDELLNF IPGMSKVRFR DLQEGIVFGN LNSLFSRMLH DATA SEQUENCE RMGQVLPKAT AVFINSFEEL DDSLTNDLKS KLKTYLNIGP FNLITXXXXX DATA SEQUENCE XXXXGCLQWL KERKPTSVVY ISFGTVTTPP PAEVVALSEA LEASRVPFIW DATA SEQUENCE SLRDKARVHL PEGFLEKTRG YGMVVPWAPQ AEVLAHEAVG AFVTHCGWNS DATA SEQUENCE LWESVAGGVP LICRPFFGDQ RLNGRMVEDV LEIGVRIEGG VFTKSGLMSC DATA SEQUENCE FDQILSQEKG KKLRENLRAL RETADRAVGP KGSSTENFIT LVDLVSKPKD 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.718 174.700 0.030 0.000 1.109 6 T CA 0.000 62.115 62.100 0.024 0.000 1.349 6 T CB 0.000 68.882 68.868 0.023 0.000 0.612 7 N N 1.275 119.996 118.700 0.035 0.000 2.288 7 N HA 0.441 5.165 4.740 -0.027 0.000 0.237 7 N C -2.562 172.947 175.510 -0.001 0.000 1.311 7 N CA -1.302 51.778 53.050 0.049 0.000 0.909 7 N CB 0.319 38.856 38.487 0.085 0.000 1.167 7 N HN 0.452 nan 8.380 nan 0.000 0.476 8 P HA -0.013 nan 4.420 nan 0.000 0.269 8 P C -1.351 175.893 177.300 -0.094 0.000 1.209 8 P CA 0.631 63.670 63.100 -0.102 0.000 0.776 8 P CB 0.392 31.969 31.700 -0.206 0.000 0.876 9 H N 1.163 120.124 119.070 -0.182 0.000 2.970 9 H HA 0.399 4.939 4.556 -0.027 0.000 0.315 9 H C -1.397 173.825 175.328 -0.176 0.000 0.992 9 H CA -0.937 55.005 56.048 -0.176 0.000 1.363 9 H CB 0.826 30.545 29.762 -0.072 0.000 1.532 9 H HN 0.029 nan 8.280 nan 0.000 0.514 10 V N 4.529 124.340 119.914 -0.172 0.000 2.364 10 V HA 0.397 4.501 4.120 -0.027 0.000 0.272 10 V C 0.523 176.610 176.094 -0.012 0.000 1.036 10 V CA -0.527 61.658 62.300 -0.191 0.000 0.880 10 V CB 0.716 32.310 31.823 -0.382 0.000 0.991 10 V HN 0.842 nan 8.190 nan 0.000 0.460 11 A N 5.294 128.105 122.820 -0.014 0.000 2.328 11 A HA 0.714 5.018 4.320 -0.027 0.000 0.284 11 A C -0.374 177.341 177.584 0.218 0.000 1.160 11 A CA -0.348 51.798 52.037 0.182 0.000 0.818 11 A CB 0.754 19.831 19.000 0.128 0.000 1.087 11 A HN 0.700 nan 8.150 nan 0.000 0.504 12 V N 4.379 124.460 119.914 0.279 0.000 2.407 12 V HA 0.306 4.410 4.120 -0.027 0.000 0.291 12 V C -0.375 175.724 176.094 0.009 0.000 1.018 12 V CA -0.209 62.171 62.300 0.133 0.000 0.842 12 V CB 1.088 33.005 31.823 0.157 0.000 0.996 12 V HN 0.728 nan 8.190 nan 0.000 0.426 13 L N 4.849 126.010 121.223 -0.103 0.000 2.277 13 L HA 0.740 5.064 4.340 -0.027 0.000 0.284 13 L C 0.604 177.389 176.870 -0.143 0.000 1.028 13 L CA -0.352 54.268 54.840 -0.366 0.000 0.835 13 L CB 1.254 42.745 42.059 -0.947 0.000 1.215 13 L HN 0.697 nan 8.230 nan 0.000 0.425 14 A N 3.112 125.943 122.820 0.019 0.000 2.322 14 A HA 0.488 4.792 4.320 -0.027 0.000 0.269 14 A C -0.861 176.971 177.584 0.413 0.000 1.094 14 A CA -0.283 51.861 52.037 0.177 0.000 0.807 14 A CB 0.572 19.639 19.000 0.111 0.000 1.047 14 A HN 0.551 nan 8.150 nan 0.000 0.487 15 F N 4.089 124.160 119.950 0.202 0.000 2.391 15 F HA 0.498 5.008 4.527 -0.027 0.000 0.359 15 F C -1.719 174.053 175.800 -0.046 0.000 1.122 15 F CA -2.440 55.637 58.000 0.127 0.000 1.120 15 F CB 1.735 40.772 39.000 0.062 0.000 1.142 15 F HN 0.339 nan 8.300 nan 0.000 0.483 16 P HA 0.093 nan 4.420 nan 0.000 0.253 16 P C -1.072 175.579 177.300 -1.082 0.000 1.508 16 P CA 0.432 63.036 63.100 -0.827 0.000 0.883 16 P CB -0.452 30.599 31.700 -1.081 0.000 1.519 17 F N 0.025 119.635 119.950 -0.567 0.000 2.563 17 F HA 0.395 4.905 4.527 -0.027 0.000 0.316 17 F C 1.588 177.450 175.800 0.103 0.000 1.076 17 F CA -0.134 57.681 58.000 -0.308 0.000 0.921 17 F CB 1.399 40.100 39.000 -0.497 0.000 1.209 17 F HN -0.077 nan 8.300 nan 0.000 0.462 18 S N 0.634 116.554 115.700 0.368 0.000 3.366 18 S HA -0.279 4.175 4.470 -0.027 0.000 0.625 18 S C 0.118 174.953 174.600 0.392 0.000 2.797 18 S CA 0.802 59.245 58.200 0.406 0.000 3.953 18 S CB -1.976 61.533 63.200 0.514 0.000 0.301 18 S HN 0.778 nan 8.310 nan 0.000 1.237 19 T N 0.629 115.424 114.554 0.401 0.000 3.400 19 T HA 0.523 4.857 4.350 -0.027 0.000 0.364 19 T C 0.437 175.255 174.700 0.196 0.000 1.636 19 T CA -0.244 62.029 62.100 0.288 0.000 1.211 19 T CB -0.173 68.849 68.868 0.255 0.000 1.180 19 T HN 0.575 nan 8.240 nan 0.000 0.730 20 H N 0.464 119.673 119.070 0.232 0.000 2.348 20 H HA 0.265 4.805 4.556 -0.027 0.000 0.233 20 H C 2.281 177.783 175.328 0.291 0.000 0.889 20 H CA 0.543 56.721 56.048 0.217 0.000 1.034 20 H CB 0.409 30.354 29.762 0.306 0.000 1.393 20 H HN 0.532 nan 8.280 nan 0.000 0.422 21 A N 1.547 124.614 122.820 0.412 0.000 1.930 21 A HA -0.012 4.292 4.320 -0.027 0.000 0.217 21 A C 2.450 180.254 177.584 0.367 0.000 1.175 21 A CA 1.543 53.839 52.037 0.432 0.000 0.627 21 A CB -0.620 18.599 19.000 0.365 0.000 0.815 21 A HN 0.380 nan 8.150 nan 0.000 0.443 22 A N 0.469 123.432 122.820 0.239 0.000 1.858 22 A HA -0.036 4.268 4.320 -0.027 0.000 0.216 22 A C 0.348 178.055 177.584 0.205 0.000 1.190 22 A CA 1.740 53.861 52.037 0.141 0.000 0.617 22 A CB -1.597 17.479 19.000 0.127 0.000 0.827 22 A HN 0.482 nan 8.150 nan 0.000 0.443 23 P HA -0.129 nan 4.420 nan 0.000 0.217 23 P C 1.621 179.224 177.300 0.506 0.000 1.150 23 P CA 0.866 64.270 63.100 0.507 0.000 0.832 23 P CB -0.152 31.937 31.700 0.649 0.000 0.787 24 L N -0.490 121.072 121.223 0.564 0.000 2.056 24 L HA -0.095 4.229 4.340 -0.027 0.000 0.207 24 L C 2.339 179.406 176.870 0.328 0.000 1.078 24 L CA 1.547 56.668 54.840 0.469 0.000 0.749 24 L CB -1.715 40.720 42.059 0.627 0.000 0.901 24 L HN -0.160 nan 8.230 nan 0.000 0.433 25 L N 0.052 121.424 121.223 0.249 0.000 2.042 25 L HA -0.133 4.191 4.340 -0.027 0.000 0.210 25 L C 2.513 179.279 176.870 -0.172 0.000 1.076 25 L CA 2.111 56.856 54.840 -0.158 0.000 0.749 25 L CB -1.183 40.502 42.059 -0.624 0.000 0.893 25 L HN 0.302 nan 8.230 nan 0.000 0.432 26 A N -1.199 121.547 122.820 -0.123 0.000 1.908 26 A HA -0.172 4.132 4.320 -0.027 0.000 0.218 26 A C 2.245 179.611 177.584 -0.363 0.000 1.181 26 A CA 2.167 54.076 52.037 -0.214 0.000 0.627 26 A CB -1.095 17.825 19.000 -0.133 0.000 0.818 26 A HN 0.333 nan 8.150 nan 0.000 0.445 27 V N -0.561 119.115 119.914 -0.396 0.000 2.379 27 V HA -0.192 3.912 4.120 -0.027 0.000 0.245 27 V C 2.534 178.493 176.094 -0.226 0.000 1.044 27 V CA 1.757 63.798 62.300 -0.432 0.000 1.036 27 V CB -0.762 30.850 31.823 -0.353 0.000 0.664 27 V HN 0.361 nan 8.190 nan 0.000 0.453 28 V N 0.095 119.922 119.914 -0.144 0.000 2.332 28 V HA -0.274 3.830 4.120 -0.027 0.000 0.248 28 V C 2.642 178.526 176.094 -0.350 0.000 1.055 28 V CA 2.040 64.233 62.300 -0.179 0.000 1.038 28 V CB -0.818 31.027 31.823 0.038 0.000 0.651 28 V HN 0.482 nan 8.190 nan 0.000 0.450 29 R N -0.135 120.202 120.500 -0.273 0.000 2.083 29 R HA -0.168 4.156 4.340 -0.027 0.000 0.237 29 R C 2.539 178.698 176.300 -0.236 0.000 1.137 29 R CA 1.726 57.671 56.100 -0.259 0.000 0.951 29 R CB -0.391 29.774 30.300 -0.225 0.000 0.851 29 R HN 0.498 nan 8.270 nan 0.000 0.434 30 R N 0.515 120.882 120.500 -0.222 0.000 2.081 30 R HA -0.074 4.250 4.340 -0.027 0.000 0.235 30 R C 2.395 178.743 176.300 0.079 0.000 1.131 30 R CA 1.144 57.161 56.100 -0.138 0.000 0.960 30 R CB -0.386 29.702 30.300 -0.354 0.000 0.856 30 R HN 0.196 nan 8.270 nan 0.000 0.436 31 L N 0.153 121.390 121.223 0.023 0.000 2.046 31 L HA -0.140 4.184 4.340 -0.027 0.000 0.208 31 L C 2.678 179.417 176.870 -0.218 0.000 1.077 31 L CA 1.221 56.020 54.840 -0.068 0.000 0.747 31 L CB -0.574 41.395 42.059 -0.149 0.000 0.896 31 L HN 0.256 nan 8.230 nan 0.000 0.432 32 A N -0.047 122.421 122.820 -0.587 0.000 1.933 32 A HA -0.144 4.160 4.320 -0.027 0.000 0.218 32 A C 2.494 180.027 177.584 -0.086 0.000 1.175 32 A CA 1.691 53.451 52.037 -0.462 0.000 0.628 32 A CB -0.601 18.070 19.000 -0.548 0.000 0.814 32 A HN 0.407 nan 8.150 nan 0.000 0.444 33 A N -0.421 122.351 122.820 -0.081 0.000 1.929 33 A HA 0.289 4.593 4.320 -0.027 0.000 0.216 33 A C 2.384 179.995 177.584 0.045 0.000 1.176 33 A CA 1.672 53.702 52.037 -0.012 0.000 0.628 33 A CB -0.730 18.250 19.000 -0.035 0.000 0.816 33 A HN 0.981 nan 8.150 nan 0.000 0.444 34 A N -0.990 121.874 122.820 0.074 0.000 2.067 34 A HA 0.497 4.801 4.320 -0.027 0.000 0.217 34 A C 1.382 179.040 177.584 0.123 0.000 1.156 34 A CA 1.229 53.330 52.037 0.105 0.000 0.683 34 A CB -0.312 18.773 19.000 0.142 0.000 0.808 34 A HN 1.173 nan 8.150 nan 0.000 0.455 35 A N -0.050 122.864 122.820 0.158 0.000 3.105 35 A HA 0.580 4.884 4.320 -0.027 0.000 0.336 35 A C -1.717 176.002 177.584 0.224 0.000 1.042 35 A CA -0.950 51.226 52.037 0.231 0.000 0.851 35 A CB 0.474 19.585 19.000 0.186 0.000 1.068 35 A HN 0.176 nan 8.150 nan 0.000 0.477 36 P HA -0.166 nan 4.420 nan 0.000 0.226 36 P C 0.917 178.322 177.300 0.174 0.000 1.153 36 P CA 1.142 64.349 63.100 0.178 0.000 0.777 36 P CB -0.169 31.612 31.700 0.135 0.000 0.794 37 H N -0.544 118.571 119.070 0.076 0.000 2.548 37 H HA 0.349 4.889 4.556 -0.027 0.000 0.268 37 H C 0.399 175.748 175.328 0.035 0.000 0.975 37 H CA -0.006 56.070 56.048 0.046 0.000 1.195 37 H CB -0.553 29.225 29.762 0.027 0.000 1.397 37 H HN -0.052 nan 8.280 nan 0.000 0.572 38 A N 2.135 124.688 122.820 -0.444 0.000 2.304 38 A HA 0.530 4.834 4.320 -0.027 0.000 0.301 38 A C 0.304 177.774 177.584 -0.189 0.000 1.132 38 A CA -0.203 51.579 52.037 -0.426 0.000 0.819 38 A CB 1.146 19.790 19.000 -0.595 0.000 1.094 38 A HN 0.312 nan 8.150 nan 0.000 0.492 39 V N -0.729 119.038 119.914 -0.244 0.000 2.630 39 V HA 0.868 4.972 4.120 -0.027 0.000 0.305 39 V C -0.879 175.104 176.094 -0.184 0.000 1.046 39 V CA -0.758 61.493 62.300 -0.081 0.000 0.934 39 V CB 0.891 32.653 31.823 -0.102 0.000 1.003 39 V HN 0.605 nan 8.190 nan 0.000 0.451 40 F N 1.629 121.654 119.950 0.124 0.000 2.507 40 F HA 0.698 5.209 4.527 -0.026 0.000 0.325 40 F C 0.467 176.396 175.800 0.216 0.000 1.116 40 F CA -0.386 57.725 58.000 0.186 0.000 0.930 40 F CB 2.483 41.571 39.000 0.147 0.000 1.146 40 F HN 0.549 nan 8.300 nan 0.000 0.447 41 S N 3.609 119.533 115.700 0.374 0.000 2.498 41 S HA 0.435 4.889 4.470 -0.027 0.000 0.317 41 S C -1.236 173.306 174.600 -0.097 0.000 1.090 41 S CA -0.495 57.825 58.200 0.200 0.000 1.089 41 S CB 0.797 64.108 63.200 0.185 0.000 0.997 41 S HN 0.471 nan 8.310 nan 0.000 0.470 42 F N 4.223 124.069 119.950 -0.174 0.000 2.361 42 F HA 0.585 5.096 4.527 -0.027 0.000 0.364 42 F C -1.337 174.395 175.800 -0.113 0.000 1.117 42 F CA -1.053 56.931 58.000 -0.028 0.000 1.071 42 F CB 0.255 39.397 39.000 0.237 0.000 1.188 42 F HN 0.434 nan 8.300 nan 0.000 0.464 43 F N 4.461 124.461 119.950 0.084 0.000 2.411 43 F HA 0.587 5.098 4.527 -0.027 0.000 0.352 43 F C 0.328 176.306 175.800 0.297 0.000 1.123 43 F CA -0.355 57.825 58.000 0.300 0.000 1.044 43 F CB 1.489 40.745 39.000 0.428 0.000 1.135 43 F HN 0.387 nan 8.300 nan 0.000 0.461 44 S N 0.401 116.401 115.700 0.499 0.000 2.752 44 S HA 0.566 5.020 4.470 -0.027 0.000 0.284 44 S C -0.499 174.251 174.600 0.251 0.000 1.189 44 S CA -0.664 57.757 58.200 0.368 0.000 0.835 44 S CB 1.093 64.514 63.200 0.369 0.000 1.192 44 S HN 0.716 nan 8.310 nan 0.000 0.506 45 T N 0.537 115.145 114.554 0.090 0.000 2.813 45 T HA 0.271 4.605 4.350 -0.027 0.000 0.297 45 T C 1.650 176.394 174.700 0.072 0.000 1.036 45 T CA 0.349 62.479 62.100 0.050 0.000 1.044 45 T CB 0.609 69.426 68.868 -0.085 0.000 0.993 45 T HN 0.881 nan 8.240 nan 0.000 0.535 46 S N 0.768 116.505 115.700 0.061 0.000 2.382 46 S HA -0.220 4.234 4.470 -0.027 0.000 0.228 46 S C 1.987 176.609 174.600 0.037 0.000 1.027 46 S CA 1.065 59.300 58.200 0.058 0.000 0.991 46 S CB -0.786 62.441 63.200 0.046 0.000 0.823 46 S HN 0.782 nan 8.310 nan 0.000 0.469 47 Q N 0.632 120.433 119.800 0.001 0.000 2.084 47 Q HA -0.081 4.243 4.340 -0.027 0.000 0.202 47 Q C 2.535 178.519 176.000 -0.026 0.000 0.978 47 Q CA 1.558 57.346 55.803 -0.024 0.000 0.844 47 Q CB -0.345 28.362 28.738 -0.053 0.000 0.898 47 Q HN 0.704 nan 8.270 nan 0.000 0.426 48 S N 0.573 116.252 115.700 -0.035 0.000 2.348 48 S HA -0.149 4.305 4.470 -0.027 0.000 0.221 48 S C 1.658 176.323 174.600 0.108 0.000 1.033 48 S CA 1.271 59.467 58.200 -0.006 0.000 1.010 48 S CB -0.133 63.040 63.200 -0.046 0.000 0.891 48 S HN 0.342 nan 8.310 nan 0.000 0.442 49 N N 1.856 120.676 118.700 0.200 0.000 2.104 49 N HA -0.026 4.698 4.740 -0.027 0.000 0.190 49 N C 1.950 177.628 175.510 0.280 0.000 1.024 49 N CA 1.426 54.691 53.050 0.358 0.000 0.853 49 N CB -0.979 37.683 38.487 0.292 0.000 1.008 49 N HN 0.529 nan 8.380 nan 0.000 0.424 50 A N 0.268 123.169 122.820 0.135 0.000 1.908 50 A HA -0.172 4.132 4.320 -0.027 0.000 0.218 50 A C 2.506 180.127 177.584 0.061 0.000 1.181 50 A CA 2.166 54.257 52.037 0.091 0.000 0.627 50 A CB -0.946 18.077 19.000 0.038 0.000 0.818 50 A HN 0.355 nan 8.150 nan 0.000 0.445 51 S N -0.055 115.639 115.700 -0.009 0.000 2.345 51 S HA -0.135 4.319 4.470 -0.027 0.000 0.220 51 S C 1.983 176.452 174.600 -0.218 0.000 1.031 51 S CA 1.501 59.617 58.200 -0.139 0.000 0.996 51 S CB -0.581 62.526 63.200 -0.155 0.000 0.882 51 S HN 0.739 nan 8.310 nan 0.000 0.445 52 I N -2.685 117.825 120.570 -0.100 0.000 2.761 52 I HA 0.185 4.339 4.170 -0.027 0.000 0.261 52 I C 1.163 177.190 176.117 -0.150 0.000 1.198 52 I CA 1.161 62.352 61.300 -0.180 0.000 1.482 52 I CB -0.423 37.438 38.000 -0.232 0.000 1.100 52 I HN 0.177 nan 8.210 nan 0.000 0.445 53 F N 2.115 122.101 119.950 0.059 0.000 2.693 53 F HA 0.192 4.704 4.527 -0.026 0.000 0.303 53 F C 0.963 176.835 175.800 0.119 0.000 1.097 53 F CA -0.659 57.367 58.000 0.044 0.000 1.330 53 F CB -0.531 38.447 39.000 -0.037 0.000 1.067 53 F HN 0.210 nan 8.300 nan 0.000 0.565 54 H N -0.082 119.031 119.070 0.072 0.000 3.214 54 H HA 0.132 4.672 4.556 -0.027 0.000 0.291 54 H C -0.150 175.207 175.328 0.048 0.000 0.926 54 H CA -0.428 55.647 56.048 0.046 0.000 1.409 54 H CB -0.326 29.443 29.762 0.011 0.000 1.406 54 H HN 0.250 nan 8.280 nan 0.000 0.561 59 T N 0.613 114.875 114.554 -0.486 0.000 2.971 59 T HA 0.266 4.600 4.350 -0.027 0.000 0.252 59 T C 0.626 175.221 174.700 -0.175 0.000 1.022 59 T CA -0.024 61.885 62.100 -0.318 0.000 0.980 59 T CB -0.067 68.559 68.868 -0.403 0.000 1.044 59 T HN 0.086 nan 8.240 nan 0.000 0.501 60 M N 3.117 122.631 119.600 -0.143 0.000 2.252 60 M HA 0.300 4.764 4.480 -0.027 0.000 0.348 60 M C -0.202 176.067 176.300 -0.052 0.000 1.334 60 M CA -0.135 55.122 55.300 -0.072 0.000 1.071 60 M CB 0.554 33.150 32.600 -0.006 0.000 1.763 60 M HN 0.054 nan 8.290 nan 0.000 0.452 61 Q N 3.224 122.992 119.800 -0.054 0.000 2.315 61 Q HA 0.006 4.330 4.340 -0.027 0.000 0.289 61 Q C 1.332 177.326 176.000 -0.010 0.000 1.044 61 Q CA 0.610 56.389 55.803 -0.039 0.000 0.920 61 Q CB 0.115 28.815 28.738 -0.064 0.000 1.214 61 Q HN 0.941 nan 8.270 nan 0.000 0.392 62 C N 0.677 119.978 119.300 0.002 0.000 2.419 62 C HA -0.095 4.349 4.460 -0.027 0.000 0.281 62 C C 1.389 176.399 174.990 0.034 0.000 1.336 62 C CA 0.428 59.453 59.018 0.011 0.000 1.770 62 C CB -0.896 26.852 27.740 0.013 0.000 1.929 62 C HN 0.915 nan 8.230 nan 0.000 0.509 63 N N 1.551 120.290 118.700 0.065 0.000 2.461 63 N HA 0.123 4.847 4.740 -0.027 0.000 0.188 63 N C 0.148 175.779 175.510 0.201 0.000 1.134 63 N CA 0.192 53.320 53.050 0.130 0.000 0.878 63 N CB -0.579 38.017 38.487 0.183 0.000 0.972 63 N HN 0.609 nan 8.380 nan 0.000 0.456 64 I N 0.169 120.813 120.570 0.123 0.000 2.377 64 I HA 0.283 4.437 4.170 -0.027 0.000 0.293 64 I C 0.007 176.151 176.117 0.044 0.000 0.987 64 I CA -0.730 60.656 61.300 0.143 0.000 1.185 64 I CB 1.580 39.638 38.000 0.097 0.000 1.341 64 I HN -0.097 nan 8.210 nan 0.000 0.455 65 K N 4.694 125.113 120.400 0.031 0.000 2.427 65 K HA 0.517 4.821 4.320 -0.027 0.000 0.252 65 K C -0.606 175.824 176.600 -0.284 0.000 0.931 65 K CA -0.523 55.651 56.287 -0.188 0.000 0.793 65 K CB 1.812 34.174 32.500 -0.230 0.000 1.211 65 K HN 0.739 nan 8.250 nan 0.000 0.426 66 S N 2.258 117.637 115.700 -0.535 0.000 2.616 66 S HA 0.450 4.904 4.470 -0.027 0.000 0.277 66 S C -0.874 173.392 174.600 -0.556 0.000 1.234 66 S CA -0.463 57.481 58.200 -0.428 0.000 1.028 66 S CB 0.469 63.200 63.200 -0.781 0.000 0.988 66 S HN 0.474 nan 8.310 nan 0.000 0.522 67 Y N -0.164 120.096 120.300 -0.067 0.000 2.406 67 Y HA 0.369 4.903 4.550 -0.027 0.000 0.340 67 Y C -0.618 175.400 175.900 0.197 0.000 0.975 67 Y CA -1.036 57.104 58.100 0.067 0.000 1.056 67 Y CB 1.607 40.161 38.460 0.157 0.000 1.210 67 Y HN 0.593 nan 8.280 nan 0.000 0.448 68 D N 4.117 124.684 120.400 0.278 0.000 2.295 68 D HA 0.326 4.950 4.640 -0.027 0.000 0.248 68 D C -0.254 176.190 176.300 0.241 0.000 1.154 68 D CA -0.031 54.104 54.000 0.224 0.000 0.857 68 D CB 0.913 41.789 40.800 0.128 0.000 1.117 68 D HN 0.423 nan 8.370 nan 0.000 0.468 69 I N -1.391 119.314 120.570 0.224 0.000 2.982 69 I HA 0.464 4.618 4.170 -0.027 0.000 0.312 69 I C 0.383 176.540 176.117 0.067 0.000 1.041 69 I CA -1.137 60.239 61.300 0.127 0.000 1.053 69 I CB 1.101 39.140 38.000 0.065 0.000 1.248 69 I HN 0.075 nan 8.210 nan 0.000 0.471 70 S N 1.003 116.700 115.700 -0.006 0.000 2.562 70 S HA 0.107 4.561 4.470 -0.027 0.000 0.281 70 S C 0.721 175.360 174.600 0.065 0.000 1.333 70 S CA 0.148 58.349 58.200 0.001 0.000 1.052 70 S CB 0.028 63.194 63.200 -0.056 0.000 0.884 70 S HN 0.847 nan 8.310 nan 0.000 0.506 71 D N 2.719 123.185 120.400 0.110 0.000 2.349 71 D HA 0.124 4.748 4.640 -0.027 0.000 0.224 71 D C 1.322 177.733 176.300 0.185 0.000 1.029 71 D CA 0.785 54.919 54.000 0.224 0.000 0.879 71 D CB -0.784 40.101 40.800 0.142 0.000 0.906 71 D HN 0.919 nan 8.370 nan 0.000 0.528 72 G N -0.494 108.320 108.800 0.025 0.000 2.184 72 G HA2 -0.270 3.674 3.960 -0.027 0.000 0.264 72 G HA3 -0.270 3.674 3.960 -0.027 0.000 0.264 72 G C 0.164 174.995 174.900 -0.115 0.000 0.975 72 G CA 0.343 45.402 45.100 -0.068 0.000 0.642 72 G HN 0.418 nan 8.290 nan 0.000 0.536 73 V N 2.312 122.177 119.914 -0.081 0.000 2.408 73 V HA 0.414 4.518 4.120 -0.027 0.000 0.267 73 V C -1.117 174.909 176.094 -0.112 0.000 1.047 73 V CA -1.389 60.801 62.300 -0.183 0.000 0.937 73 V CB 1.069 32.869 31.823 -0.038 0.000 0.999 73 V HN 0.185 nan 8.190 nan 0.000 0.472 74 P HA 0.174 nan 4.420 nan 0.000 0.269 74 P C 0.871 178.200 177.300 0.047 0.000 1.215 74 P CA -0.255 62.832 63.100 -0.022 0.000 0.780 74 P CB 0.994 32.705 31.700 0.018 0.000 0.898 75 E N 1.319 121.544 120.200 0.043 0.000 2.070 75 E HA -0.150 4.184 4.350 -0.027 0.000 0.197 75 E C 1.658 178.304 176.600 0.077 0.000 1.004 75 E CA 1.811 58.243 56.400 0.054 0.000 0.805 75 E CB -0.547 29.175 29.700 0.036 0.000 0.744 75 E HN 0.674 nan 8.360 nan 0.000 0.451 76 G N -0.994 107.851 108.800 0.075 0.000 3.518 76 G HA2 -0.027 3.917 3.960 -0.027 0.000 0.273 76 G HA3 -0.027 3.917 3.960 -0.027 0.000 0.273 76 G C -0.573 174.377 174.900 0.084 0.000 1.199 76 G CA -0.483 44.658 45.100 0.069 0.000 0.899 76 G HN 0.147 nan 8.290 nan 0.000 0.533 77 Y N 1.097 121.382 120.300 -0.025 0.000 2.425 77 Y HA 0.354 4.888 4.550 -0.027 0.000 0.331 77 Y C -0.125 175.749 175.900 -0.043 0.000 1.157 77 Y CA -0.049 58.001 58.100 -0.083 0.000 1.372 77 Y CB 1.066 39.415 38.460 -0.184 0.000 1.253 77 Y HN -0.075 nan 8.280 nan 0.000 0.536 78 V N 8.104 127.719 119.914 -0.499 0.000 2.347 78 V HA 0.173 4.277 4.120 -0.027 0.000 0.280 78 V C -0.463 175.314 176.094 -0.529 0.000 1.021 78 V CA -0.981 61.140 62.300 -0.299 0.000 0.847 78 V CB 0.377 32.087 31.823 -0.189 0.000 0.990 78 V HN 0.563 nan 8.190 nan 0.000 0.444 79 F N 2.869 122.726 119.950 -0.155 0.000 2.572 79 F HA 0.264 4.775 4.527 -0.027 0.000 0.370 79 F C 1.505 177.268 175.800 -0.062 0.000 1.103 79 F CA 0.611 58.612 58.000 0.002 0.000 1.286 79 F CB 1.031 40.111 39.000 0.134 0.000 1.105 79 F HN 0.598 nan 8.300 nan 0.000 0.583 80 A N 3.120 126.001 122.820 0.102 0.000 2.014 80 A HA 0.282 4.586 4.320 -0.027 0.000 0.218 80 A C 1.811 179.461 177.584 0.109 0.000 1.163 80 A CA 0.936 53.010 52.037 0.062 0.000 0.652 80 A CB -1.038 17.987 19.000 0.041 0.000 0.808 80 A HN 1.505 nan 8.150 nan 0.000 0.449 81 G N -1.033 107.881 108.800 0.190 0.000 2.142 81 G HA2 -0.210 3.734 3.960 -0.027 0.000 0.225 81 G HA3 -0.210 3.734 3.960 -0.027 0.000 0.225 81 G C 0.133 175.085 174.900 0.086 0.000 1.015 81 G CA 0.119 45.295 45.100 0.127 0.000 0.716 81 G HN 0.600 nan 8.290 nan 0.000 0.508 82 R N 0.622 121.185 120.500 0.105 0.000 2.641 82 R HA 0.399 4.723 4.340 -0.027 0.000 0.269 82 R C -1.894 174.427 176.300 0.035 0.000 1.074 82 R CA -1.021 55.116 56.100 0.061 0.000 1.133 82 R CB 0.471 30.811 30.300 0.066 0.000 1.029 82 R HN 0.202 nan 8.270 nan 0.000 0.488 83 P HA 0.033 nan 4.420 nan 0.000 0.275 83 P C -0.852 176.400 177.300 -0.079 0.000 1.227 83 P CA -0.001 63.067 63.100 -0.054 0.000 0.781 83 P CB 0.936 32.595 31.700 -0.068 0.000 0.906 84 Q N -0.997 118.716 119.800 -0.145 0.000 2.424 84 Q HA -0.257 4.067 4.340 -0.027 0.000 0.234 84 Q C 1.109 177.039 176.000 -0.116 0.000 0.748 84 Q CA 1.278 56.951 55.803 -0.216 0.000 1.286 84 Q CB -1.867 26.717 28.738 -0.256 0.000 1.494 84 Q HN 0.646 nan 8.270 nan 0.000 0.683 85 E N 1.304 121.501 120.200 -0.005 0.000 2.085 85 E HA -0.240 4.094 4.350 -0.027 0.000 0.194 85 E C 1.430 178.102 176.600 0.119 0.000 0.994 85 E CA 1.798 58.260 56.400 0.104 0.000 0.801 85 E CB 0.154 30.015 29.700 0.268 0.000 0.743 85 E HN 0.573 nan 8.360 nan 0.000 0.453 86 D N 0.459 120.934 120.400 0.124 0.000 2.117 86 D HA -0.204 4.420 4.640 -0.027 0.000 0.197 86 D C 1.976 178.245 176.300 -0.051 0.000 0.987 86 D CA 1.020 55.107 54.000 0.145 0.000 0.829 86 D CB -0.674 40.219 40.800 0.154 0.000 0.961 86 D HN 0.337 nan 8.370 nan 0.000 0.460 87 I N 0.675 120.974 120.570 -0.451 0.000 2.179 87 I HA -0.242 3.912 4.170 -0.027 0.000 0.242 87 I C 2.481 178.632 176.117 0.056 0.000 1.088 87 I CA 1.414 62.441 61.300 -0.455 0.000 1.357 87 I CB -0.271 37.409 38.000 -0.533 0.000 1.051 87 I HN -0.015 nan 8.210 nan 0.000 0.409 88 E N 0.610 120.826 120.200 0.028 0.000 2.077 88 E HA -0.223 4.111 4.350 -0.027 0.000 0.193 88 E C 2.309 178.959 176.600 0.082 0.000 0.989 88 E CA 1.231 57.683 56.400 0.087 0.000 0.800 88 E CB -0.123 29.607 29.700 0.049 0.000 0.746 88 E HN 0.442 nan 8.360 nan 0.000 0.452 89 L N -0.002 121.247 121.223 0.042 0.000 2.027 89 L HA -0.166 4.158 4.340 -0.027 0.000 0.206 89 L C 2.403 179.307 176.870 0.056 0.000 1.074 89 L CA 1.035 55.856 54.840 -0.032 0.000 0.745 89 L CB -0.423 41.539 42.059 -0.163 0.000 0.898 89 L HN 0.136 nan 8.230 nan 0.000 0.433 90 F N 0.785 120.787 119.950 0.087 0.000 2.065 90 F HA -0.293 4.218 4.527 -0.026 0.000 0.298 90 F C 2.480 178.371 175.800 0.152 0.000 1.112 90 F CA 2.291 60.376 58.000 0.141 0.000 1.212 90 F CB -0.541 38.663 39.000 0.339 0.000 0.975 90 F HN -0.044 nan 8.300 nan 0.000 0.476 91 T N 0.907 115.616 114.554 0.258 0.000 2.746 91 T HA -0.159 4.175 4.350 -0.027 0.000 0.267 91 T C 2.055 176.781 174.700 0.043 0.000 1.039 91 T CA 1.497 63.751 62.100 0.256 0.000 1.142 91 T CB -0.281 68.876 68.868 0.482 0.000 0.866 91 T HN 0.271 nan 8.240 nan 0.000 0.444 92 R N 0.866 121.372 120.500 0.009 0.000 2.096 92 R HA 0.058 4.382 4.340 -0.027 0.000 0.235 92 R C 2.604 178.797 176.300 -0.178 0.000 1.127 92 R CA 1.299 57.363 56.100 -0.060 0.000 0.968 92 R CB -0.322 29.957 30.300 -0.035 0.000 0.861 92 R HN 0.358 nan 8.270 nan 0.000 0.440 93 A N 0.686 123.366 122.820 -0.233 0.000 2.132 93 A HA 0.167 4.471 4.320 -0.027 0.000 0.213 93 A C 2.227 179.565 177.584 -0.411 0.000 1.154 93 A CA 0.854 52.717 52.037 -0.290 0.000 0.753 93 A CB -0.119 18.729 19.000 -0.254 0.000 0.826 93 A HN 0.318 nan 8.150 nan 0.000 0.469 94 A N 1.088 123.590 122.820 -0.530 0.000 1.908 94 A HA -0.069 4.235 4.320 -0.027 0.000 0.218 94 A C 0.169 177.591 177.584 -0.270 0.000 1.181 94 A CA 1.933 53.629 52.037 -0.568 0.000 0.627 94 A CB -1.592 17.173 19.000 -0.391 0.000 0.818 94 A HN 0.438 nan 8.150 nan 0.000 0.445 95 P HA -0.179 nan 4.420 nan 0.000 0.215 95 P C 1.457 178.618 177.300 -0.230 0.000 1.157 95 P CA 1.716 64.479 63.100 -0.562 0.000 0.874 95 P CB 0.056 31.230 31.700 -0.877 0.000 0.790 96 E N -0.559 119.485 120.200 -0.260 0.000 2.047 96 E HA -0.113 4.221 4.350 -0.027 0.000 0.191 96 E C 2.028 178.525 176.600 -0.172 0.000 0.987 96 E CA 1.568 57.856 56.400 -0.186 0.000 0.799 96 E CB -0.942 28.653 29.700 -0.176 0.000 0.752 96 E HN -0.009 nan 8.360 nan 0.000 0.449 97 S N -0.220 115.331 115.700 -0.247 0.000 2.359 97 S HA -0.144 4.310 4.470 -0.027 0.000 0.224 97 S C 1.651 176.109 174.600 -0.236 0.000 1.035 97 S CA 1.368 59.401 58.200 -0.278 0.000 1.018 97 S CB -0.488 62.440 63.200 -0.454 0.000 0.876 97 S HN 0.279 nan 8.310 nan 0.000 0.448 98 F N 1.441 121.311 119.950 -0.134 0.000 2.186 98 F HA 0.082 4.593 4.527 -0.027 0.000 0.299 98 F C 2.482 178.081 175.800 -0.335 0.000 1.090 98 F CA 0.669 58.532 58.000 -0.228 0.000 1.307 98 F CB -0.535 38.400 39.000 -0.109 0.000 1.019 98 F HN 0.069 nan 8.300 nan 0.000 0.489 99 R N 0.502 120.976 120.500 -0.044 0.000 2.083 99 R HA -0.203 4.121 4.340 -0.027 0.000 0.237 99 R C 2.109 178.330 176.300 -0.132 0.000 1.137 99 R CA 1.909 57.946 56.100 -0.105 0.000 0.951 99 R CB -0.322 29.926 30.300 -0.087 0.000 0.851 99 R HN 0.357 nan 8.270 nan 0.000 0.434 100 Q N -0.955 118.778 119.800 -0.111 0.000 2.084 100 Q HA -0.096 4.228 4.340 -0.027 0.000 0.202 100 Q C 2.113 178.065 176.000 -0.080 0.000 0.978 100 Q CA 1.373 57.127 55.803 -0.082 0.000 0.844 100 Q CB -0.233 28.469 28.738 -0.061 0.000 0.898 100 Q HN 0.542 nan 8.270 nan 0.000 0.426 101 G N 1.087 109.815 108.800 -0.119 0.000 2.476 101 G HA2 -0.276 3.668 3.960 -0.027 0.000 0.218 101 G HA3 -0.276 3.668 3.960 -0.027 0.000 0.218 101 G C 1.414 176.169 174.900 -0.241 0.000 1.164 101 G CA 0.944 45.985 45.100 -0.099 0.000 0.768 101 G HN 0.190 nan 8.290 nan 0.000 0.560 102 M N -0.085 119.201 119.600 -0.522 0.000 2.175 102 M HA -0.041 4.423 4.480 -0.027 0.000 0.264 102 M C 2.707 178.945 176.300 -0.104 0.000 1.063 102 M CA 0.702 55.804 55.300 -0.331 0.000 1.119 102 M CB -0.271 32.115 32.600 -0.357 0.000 1.377 102 M HN 0.119 nan 8.290 nan 0.000 0.415 103 V N 0.634 120.489 119.914 -0.098 0.000 2.287 103 V HA -0.340 3.764 4.120 -0.027 0.000 0.248 103 V C 2.389 178.477 176.094 -0.010 0.000 1.053 103 V CA 2.170 64.446 62.300 -0.040 0.000 1.027 103 V CB -0.604 31.196 31.823 -0.038 0.000 0.646 103 V HN 0.557 nan 8.190 nan 0.000 0.447 104 M N -0.089 119.502 119.600 -0.014 0.000 2.086 104 M HA -0.166 4.298 4.480 -0.027 0.000 0.261 104 M C 2.127 178.414 176.300 -0.022 0.000 1.067 104 M CA 2.309 57.618 55.300 0.016 0.000 1.116 104 M CB -0.286 32.357 32.600 0.071 0.000 1.348 104 M HN 0.329 nan 8.290 nan 0.000 0.407 105 A N -0.535 122.188 122.820 -0.160 0.000 1.930 105 A HA -0.091 4.213 4.320 -0.027 0.000 0.217 105 A C 2.030 179.693 177.584 0.132 0.000 1.175 105 A CA 1.691 53.635 52.037 -0.155 0.000 0.627 105 A CB -1.068 17.832 19.000 -0.167 0.000 0.815 105 A HN 0.420 nan 8.150 nan 0.000 0.443 106 V N -0.117 119.904 119.914 0.178 0.000 2.343 106 V HA -0.261 3.843 4.120 -0.027 0.000 0.247 106 V C 3.043 179.185 176.094 0.080 0.000 1.051 106 V CA 1.984 64.388 62.300 0.173 0.000 1.036 106 V CB -1.165 30.725 31.823 0.113 0.000 0.654 106 V HN 0.614 nan 8.190 nan 0.000 0.451 107 A N -0.593 122.261 122.820 0.058 0.000 1.898 107 A HA -0.214 4.090 4.320 -0.027 0.000 0.216 107 A C 2.184 179.797 177.584 0.049 0.000 1.181 107 A CA 1.725 53.790 52.037 0.046 0.000 0.620 107 A CB -0.417 18.608 19.000 0.042 0.000 0.819 107 A HN 0.617 nan 8.150 nan 0.000 0.442 108 E N -0.650 119.592 120.200 0.071 0.000 2.077 108 E HA -0.151 4.183 4.350 -0.027 0.000 0.193 108 E C 2.233 178.855 176.600 0.038 0.000 0.989 108 E CA 1.782 58.231 56.400 0.082 0.000 0.800 108 E CB -0.278 29.523 29.700 0.168 0.000 0.746 108 E HN 0.839 nan 8.360 nan 0.000 0.452 109 T N -3.008 111.544 114.554 -0.004 0.000 3.014 109 T HA 0.137 4.471 4.350 -0.027 0.000 0.263 109 T C 1.648 176.319 174.700 -0.048 0.000 1.078 109 T CA 0.600 62.653 62.100 -0.077 0.000 1.135 109 T CB 0.239 68.937 68.868 -0.283 0.000 0.895 109 T HN 0.293 nan 8.240 nan 0.000 0.480 110 G N 1.781 110.574 108.800 -0.011 0.000 2.160 110 G HA2 -0.261 3.683 3.960 -0.027 0.000 0.251 110 G HA3 -0.261 3.683 3.960 -0.027 0.000 0.251 110 G C 0.021 174.928 174.900 0.011 0.000 1.008 110 G CA 0.049 45.153 45.100 0.006 0.000 0.724 110 G HN 0.702 nan 8.290 nan 0.000 0.514 111 R N 0.194 120.704 120.500 0.016 0.000 2.480 111 R HA 0.437 4.761 4.340 -0.027 0.000 0.306 111 R C -2.750 173.663 176.300 0.189 0.000 0.958 111 R CA -2.018 54.119 56.100 0.062 0.000 0.861 111 R CB 2.096 32.400 30.300 0.008 0.000 1.171 111 R HN 0.045 nan 8.270 nan 0.000 0.445 112 P HA -0.019 nan 4.420 nan 0.000 0.269 112 P C -0.254 177.102 177.300 0.093 0.000 1.215 112 P CA -0.355 62.804 63.100 0.097 0.000 0.780 112 P CB 0.541 32.265 31.700 0.040 0.000 0.898 113 V N 2.180 122.067 119.914 -0.045 0.000 2.540 113 V HA -0.010 4.094 4.120 -0.027 0.000 0.297 113 V C 1.510 177.552 176.094 -0.087 0.000 1.024 113 V CA 1.283 63.458 62.300 -0.208 0.000 1.105 113 V CB 0.183 31.860 31.823 -0.243 0.000 0.938 113 V HN 0.773 nan 8.190 nan 0.000 0.482 114 S N 2.222 117.876 115.700 -0.076 0.000 2.523 114 S HA 0.206 4.660 4.470 -0.027 0.000 0.217 114 S C 0.201 174.781 174.600 -0.032 0.000 0.996 114 S CA -0.057 58.122 58.200 -0.036 0.000 0.921 114 S CB 0.358 63.545 63.200 -0.022 0.000 0.829 114 S HN 0.739 nan 8.310 nan 0.000 0.495 115 C N 0.693 119.965 119.300 -0.046 0.000 3.181 115 C HA 0.639 5.083 4.460 -0.027 0.000 0.362 115 C C -1.690 173.309 174.990 0.015 0.000 1.125 115 C CA -0.805 58.210 59.018 -0.005 0.000 1.265 115 C CB 0.993 28.720 27.740 -0.021 0.000 1.632 115 C HN 0.665 nan 8.230 nan 0.000 0.525 116 L N 6.243 127.515 121.223 0.082 0.000 2.345 116 L HA 0.727 5.051 4.340 -0.027 0.000 0.274 116 L C -0.801 176.192 176.870 0.205 0.000 0.999 116 L CA -0.282 54.625 54.840 0.112 0.000 0.849 116 L CB 1.157 43.275 42.059 0.098 0.000 1.220 116 L HN 0.604 nan 8.230 nan 0.000 0.422 117 V N 4.332 124.361 119.914 0.191 0.000 2.481 117 V HA 0.844 4.948 4.120 -0.027 0.000 0.286 117 V C 0.221 176.440 176.094 0.209 0.000 1.042 117 V CA -0.209 62.248 62.300 0.261 0.000 0.928 117 V CB 1.360 33.372 31.823 0.314 0.000 0.986 117 V HN 0.856 nan 8.190 nan 0.000 0.462 118 A N 3.128 126.085 122.820 0.228 0.000 2.594 118 A HA 0.527 4.831 4.320 -0.027 0.000 0.295 118 A C -0.798 176.897 177.584 0.186 0.000 1.071 118 A CA -0.655 51.469 52.037 0.145 0.000 0.685 118 A CB 1.349 20.397 19.000 0.080 0.000 1.285 118 A HN 0.726 nan 8.150 nan 0.000 0.405 119 D N 1.565 122.072 120.400 0.179 0.000 2.488 119 D HA 0.209 4.833 4.640 -0.027 0.000 0.238 119 D C 1.558 177.945 176.300 0.144 0.000 1.138 119 D CA 0.835 54.927 54.000 0.153 0.000 0.873 119 D CB 1.310 42.225 40.800 0.191 0.000 1.183 119 D HN 0.665 nan 8.370 nan 0.000 0.458 120 A N 4.574 127.450 122.820 0.093 0.000 2.042 120 A HA -0.234 4.070 4.320 -0.027 0.000 0.222 120 A C 1.851 179.669 177.584 0.389 0.000 1.167 120 A CA 1.031 53.230 52.037 0.269 0.000 0.649 120 A CB -0.512 18.720 19.000 0.386 0.000 0.809 120 A HN 0.626 nan 8.150 nan 0.000 0.457 121 F N 0.258 120.205 119.950 -0.005 0.000 2.234 121 F HA -0.027 4.483 4.527 -0.028 0.000 0.299 121 F C 1.260 177.137 175.800 0.128 0.000 1.087 121 F CA -0.097 57.864 58.000 -0.067 0.000 1.340 121 F CB -0.363 38.340 39.000 -0.493 0.000 1.031 121 F HN 0.101 nan 8.300 nan 0.000 0.500 122 I N 1.042 121.760 120.570 0.246 0.000 2.553 122 I HA -0.145 4.009 4.170 -0.027 0.000 0.295 122 I C 1.412 177.317 176.117 -0.352 0.000 1.128 122 I CA -0.311 60.900 61.300 -0.149 0.000 2.128 122 I CB -1.907 35.903 38.000 -0.317 0.000 1.543 122 I HN 0.408 nan 8.210 nan 0.000 0.970 123 W N 4.584 125.804 121.300 -0.134 0.000 2.325 123 W HA -0.244 4.400 4.660 -0.027 0.000 0.299 123 W C 1.846 178.205 176.519 -0.267 0.000 1.215 123 W CA 1.032 58.325 57.345 -0.087 0.000 1.244 123 W CB -1.264 28.198 29.460 0.004 0.000 1.140 123 W HN 0.382 nan 8.180 nan 0.000 0.523 124 F N 0.488 119.577 119.950 -1.435 0.000 2.546 124 F HA 0.260 4.771 4.527 -0.027 0.000 0.298 124 F C 2.065 177.458 175.800 -0.679 0.000 1.120 124 F CA 0.586 57.897 58.000 -1.147 0.000 1.456 124 F CB -1.459 36.829 39.000 -1.187 0.000 1.088 124 F HN 0.028 nan 8.300 nan 0.000 0.572 125 A N 1.470 123.710 122.820 -0.967 0.000 1.986 125 A HA -0.095 4.209 4.320 -0.027 0.000 0.220 125 A C 2.529 179.541 177.584 -0.953 0.000 1.171 125 A CA 1.893 53.488 52.037 -0.737 0.000 0.640 125 A CB -1.373 17.307 19.000 -0.533 0.000 0.811 125 A HN 0.569 nan 8.150 nan 0.000 0.451 126 A N 0.153 122.108 122.820 -1.441 0.000 1.908 126 A HA -0.219 4.085 4.320 -0.027 0.000 0.218 126 A C 1.795 179.041 177.584 -0.562 0.000 1.181 126 A CA 1.809 52.989 52.037 -1.429 0.000 0.627 126 A CB -0.537 17.603 19.000 -1.432 0.000 0.818 126 A HN 0.582 nan 8.150 nan 0.000 0.445 127 D N -0.407 119.752 120.400 -0.401 0.000 2.123 127 D HA -0.110 4.514 4.640 -0.027 0.000 0.200 127 D C 2.080 178.284 176.300 -0.161 0.000 0.976 127 D CA 1.425 55.303 54.000 -0.203 0.000 0.831 127 D CB -0.342 40.376 40.800 -0.136 0.000 0.974 127 D HN 0.500 nan 8.370 nan 0.000 0.469 128 M N 1.155 120.653 119.600 -0.169 0.000 2.080 128 M HA -0.151 4.313 4.480 -0.027 0.000 0.260 128 M C 2.521 178.753 176.300 -0.112 0.000 1.068 128 M CA 1.481 56.711 55.300 -0.117 0.000 1.109 128 M CB -0.312 32.233 32.600 -0.092 0.000 1.342 128 M HN -0.036 nan 8.290 nan 0.000 0.405 129 A N 0.462 123.197 122.820 -0.143 0.000 1.908 129 A HA -0.086 4.218 4.320 -0.027 0.000 0.218 129 A C 2.396 179.960 177.584 -0.033 0.000 1.181 129 A CA 2.046 54.047 52.037 -0.059 0.000 0.627 129 A CB -1.005 18.000 19.000 0.008 0.000 0.818 129 A HN 0.514 nan 8.150 nan 0.000 0.445 130 A N -0.146 122.641 122.820 -0.055 0.000 1.902 130 A HA -0.180 4.124 4.320 -0.027 0.000 0.217 130 A C 1.910 179.476 177.584 -0.030 0.000 1.181 130 A CA 1.615 53.635 52.037 -0.028 0.000 0.623 130 A CB -0.551 18.428 19.000 -0.036 0.000 0.818 130 A HN 0.653 nan 8.150 nan 0.000 0.443 131 E N -0.588 119.584 120.200 -0.047 0.000 2.110 131 E HA -0.166 4.168 4.350 -0.027 0.000 0.193 131 E C 1.868 178.448 176.600 -0.034 0.000 0.988 131 E CA 1.483 57.858 56.400 -0.042 0.000 0.804 131 E CB -0.273 29.395 29.700 -0.053 0.000 0.745 131 E HN 0.706 nan 8.360 nan 0.000 0.458 132 M N -0.698 118.880 119.600 -0.037 0.000 2.541 132 M HA 0.121 4.585 4.480 -0.027 0.000 0.252 132 M C 1.075 177.364 176.300 -0.017 0.000 1.125 132 M CA 0.645 55.926 55.300 -0.031 0.000 1.091 132 M CB 0.587 33.162 32.600 -0.042 0.000 1.420 132 M HN 0.186 nan 8.290 nan 0.000 0.486 133 G N 2.043 110.838 108.800 -0.009 0.000 2.225 133 G HA2 -0.158 3.786 3.960 -0.027 0.000 0.264 133 G HA3 -0.158 3.786 3.960 -0.027 0.000 0.264 133 G C -0.119 174.788 174.900 0.012 0.000 1.060 133 G CA 0.207 45.309 45.100 0.003 0.000 0.833 133 G HN 0.536 nan 8.290 nan 0.000 0.498 134 V N -3.579 116.346 119.914 0.019 0.000 3.074 134 V HA 0.982 5.086 4.120 -0.027 0.000 0.314 134 V C 0.631 176.767 176.094 0.071 0.000 1.117 134 V CA -0.734 61.585 62.300 0.031 0.000 1.014 134 V CB 1.648 33.479 31.823 0.012 0.000 1.057 134 V HN 1.845 nan 8.190 nan 0.000 0.438 135 A N 1.946 124.813 122.820 0.078 0.000 2.462 135 A HA 0.473 4.777 4.320 -0.027 0.000 0.243 135 A C -0.725 176.981 177.584 0.204 0.000 1.076 135 A CA 0.019 52.127 52.037 0.119 0.000 0.773 135 A CB -0.032 19.015 19.000 0.078 0.000 1.010 135 A HN 1.546 nan 8.150 nan 0.000 0.493 136 W N 3.535 124.855 121.300 0.032 0.000 2.361 136 W HA 0.586 5.230 4.660 -0.027 0.000 0.314 136 W C -1.640 174.931 176.519 0.088 0.000 1.041 136 W CA -1.113 56.256 57.345 0.039 0.000 1.241 136 W CB 0.783 30.254 29.460 0.019 0.000 1.279 136 W HN 0.426 nan 8.180 nan 0.000 0.436 137 L N 10.241 131.441 121.223 -0.039 0.000 2.408 137 L HA 0.350 4.674 4.340 -0.027 0.000 0.257 137 L C -1.933 174.893 176.870 -0.074 0.000 1.053 137 L CA -1.910 52.904 54.840 -0.044 0.000 0.922 137 L CB 0.933 43.122 42.059 0.216 0.000 1.261 137 L HN 0.206 nan 8.230 nan 0.000 0.458 138 P HA 0.058 nan 4.420 nan 0.000 0.275 138 P C -0.951 176.095 177.300 -0.423 0.000 1.227 138 P CA -0.236 62.678 63.100 -0.309 0.000 0.781 138 P CB 1.153 32.600 31.700 -0.422 0.000 0.906 139 F N 4.076 123.662 119.950 -0.605 0.000 2.385 139 F HA 0.318 4.829 4.527 -0.026 0.000 0.360 139 F C -0.540 175.085 175.800 -0.292 0.000 1.122 139 F CA -1.963 55.511 58.000 -0.876 0.000 1.090 139 F CB 0.337 38.979 39.000 -0.596 0.000 1.150 139 F HN 0.372 nan 8.300 nan 0.000 0.472 140 W N 8.039 129.026 121.300 -0.523 0.000 2.358 140 W HA 0.157 4.800 4.660 -0.028 0.000 0.307 140 W C 0.428 176.360 176.519 -0.978 0.000 1.203 140 W CA 0.073 57.080 57.345 -0.565 0.000 1.279 140 W CB 1.488 30.762 29.460 -0.309 0.000 1.264 140 W HN 0.729 nan 8.180 nan 0.000 0.474 141 T N 2.154 115.782 114.554 -1.543 0.000 3.129 141 T HA 0.294 4.628 4.350 -0.027 0.000 0.251 141 T C 0.638 174.777 174.700 -0.935 0.000 1.117 141 T CA 0.595 61.860 62.100 -1.392 0.000 1.034 141 T CB 0.289 68.467 68.868 -1.149 0.000 0.968 141 T HN 0.327 nan 8.240 nan 0.000 0.526 142 A N 0.807 122.908 122.820 -1.198 0.000 3.521 142 A HA 0.911 5.215 4.320 -0.027 0.000 0.181 142 A C 0.755 177.605 177.584 -1.222 0.000 1.386 142 A CA -0.439 51.038 52.037 -0.933 0.000 0.873 142 A CB 0.036 18.677 19.000 -0.599 0.000 1.634 142 A HN 0.500 nan 8.150 nan 0.000 0.551 143 G N -1.504 106.541 108.800 -1.257 0.000 2.502 143 G HA2 0.496 4.440 3.960 -0.027 0.000 0.305 143 G HA3 0.496 4.440 3.960 -0.027 0.000 0.305 143 G C -1.733 172.915 174.900 -0.419 0.000 1.190 143 G CA -0.871 43.278 45.100 -1.584 0.000 0.933 143 G HN 0.370 nan 8.290 nan 0.000 0.503 144 P HA -0.108 nan 4.420 nan 0.000 0.221 144 P C 1.209 178.406 177.300 -0.171 0.000 1.150 144 P CA 0.907 63.906 63.100 -0.167 0.000 0.800 144 P CB 0.143 31.836 31.700 -0.012 0.000 0.787 145 N N 1.573 120.211 118.700 -0.103 0.000 2.043 145 N HA -0.171 4.553 4.740 -0.027 0.000 0.193 145 N C 1.712 177.171 175.510 -0.084 0.000 1.037 145 N CA 2.465 55.476 53.050 -0.066 0.000 0.851 145 N CB -1.795 36.694 38.487 0.004 0.000 1.027 145 N HN 0.228 nan 8.380 nan 0.000 0.422 146 S N 0.333 116.019 115.700 -0.022 0.000 2.402 146 S HA -0.005 4.449 4.470 -0.027 0.000 0.229 146 S C 1.962 176.513 174.600 -0.082 0.000 1.021 146 S CA 0.618 58.862 58.200 0.074 0.000 0.974 146 S CB -0.801 62.606 63.200 0.345 0.000 0.800 146 S HN 0.267 nan 8.310 nan 0.000 0.484 147 L N 2.238 123.170 121.223 -0.486 0.000 2.012 147 L HA -0.045 4.279 4.340 -0.027 0.000 0.210 147 L C 2.643 179.204 176.870 -0.516 0.000 1.073 147 L CA 2.208 56.402 54.840 -1.076 0.000 0.748 147 L CB -1.349 39.905 42.059 -1.341 0.000 0.891 147 L HN 0.429 nan 8.230 nan 0.000 0.431 148 S N -1.299 114.208 115.700 -0.321 0.000 2.353 148 S HA -0.238 4.216 4.470 -0.027 0.000 0.222 148 S C 2.117 176.710 174.600 -0.011 0.000 1.035 148 S CA 2.255 60.378 58.200 -0.128 0.000 1.025 148 S CB -0.776 62.380 63.200 -0.073 0.000 0.902 148 S HN 0.802 nan 8.310 nan 0.000 0.440 149 T N -0.711 113.781 114.554 -0.103 0.000 2.833 149 T HA -0.130 4.204 4.350 -0.027 0.000 0.269 149 T C 1.767 176.381 174.700 -0.143 0.000 1.054 149 T CA 1.466 63.491 62.100 -0.124 0.000 1.135 149 T CB -0.844 67.898 68.868 -0.210 0.000 0.869 149 T HN 0.530 nan 8.240 nan 0.000 0.466 150 H N 0.573 119.576 119.070 -0.112 0.000 2.357 150 H HA 0.093 4.633 4.556 -0.026 0.000 0.301 150 H C 2.568 177.825 175.328 -0.119 0.000 1.082 150 H CA 1.451 57.433 56.048 -0.111 0.000 1.342 150 H CB -0.488 29.194 29.762 -0.133 0.000 1.389 150 H HN 0.280 nan 8.280 nan 0.000 0.511 151 V N 0.314 120.179 119.914 -0.081 0.000 2.594 151 V HA -0.230 3.874 4.120 -0.027 0.000 0.253 151 V C 1.199 177.160 176.094 -0.221 0.000 1.069 151 V CA 1.410 63.596 62.300 -0.191 0.000 1.082 151 V CB -0.605 31.025 31.823 -0.320 0.000 0.680 151 V HN 0.386 nan 8.190 nan 0.000 0.469 152 Y N -1.360 118.887 120.300 -0.087 0.000 2.571 152 Y HA 0.292 4.827 4.550 -0.026 0.000 0.275 152 Y C 1.714 177.587 175.900 -0.045 0.000 1.179 152 Y CA -0.013 58.050 58.100 -0.060 0.000 1.242 152 Y CB 0.185 38.600 38.460 -0.074 0.000 1.126 152 Y HN 0.173 nan 8.280 nan 0.000 0.524 153 I N -0.176 120.440 120.570 0.075 0.000 2.163 153 I HA -0.356 3.798 4.170 -0.027 0.000 0.243 153 I C 1.677 177.807 176.117 0.022 0.000 1.085 153 I CA 1.807 63.123 61.300 0.026 0.000 1.347 153 I CB 0.139 38.168 38.000 0.049 0.000 1.044 153 I HN 0.202 nan 8.210 nan 0.000 0.408 154 D N 0.419 120.858 120.400 0.065 0.000 2.097 154 D HA -0.267 4.357 4.640 -0.027 0.000 0.195 154 D C 1.995 178.321 176.300 0.042 0.000 0.989 154 D CA 1.647 55.679 54.000 0.054 0.000 0.827 154 D CB -0.305 40.539 40.800 0.074 0.000 0.966 154 D HN 0.544 nan 8.370 nan 0.000 0.456 155 E N 0.378 120.633 120.200 0.093 0.000 2.077 155 E HA -0.143 4.191 4.350 -0.027 0.000 0.193 155 E C 2.325 178.984 176.600 0.099 0.000 0.989 155 E CA 0.627 57.096 56.400 0.116 0.000 0.800 155 E CB -0.063 29.782 29.700 0.242 0.000 0.746 155 E HN 0.229 nan 8.360 nan 0.000 0.452 156 I N 0.429 121.070 120.570 0.118 0.000 2.179 156 I HA -0.274 3.880 4.170 -0.027 0.000 0.242 156 I C 2.716 178.816 176.117 -0.028 0.000 1.088 156 I CA 1.110 62.467 61.300 0.095 0.000 1.357 156 I CB -0.287 37.719 38.000 0.010 0.000 1.051 156 I HN 0.080 nan 8.210 nan 0.000 0.409 157 R N 0.655 121.120 120.500 -0.059 0.000 2.091 157 R HA -0.198 4.126 4.340 -0.027 0.000 0.238 157 R C 2.207 178.459 176.300 -0.079 0.000 1.136 157 R CA 1.629 57.673 56.100 -0.093 0.000 0.959 157 R CB -0.320 29.912 30.300 -0.112 0.000 0.856 157 R HN 0.469 nan 8.270 nan 0.000 0.437 158 E N 0.320 120.485 120.200 -0.059 0.000 2.051 158 E HA -0.193 4.141 4.350 -0.027 0.000 0.192 158 E C 1.962 178.499 176.600 -0.104 0.000 0.991 158 E CA 1.237 57.598 56.400 -0.064 0.000 0.799 158 E CB 0.092 29.766 29.700 -0.043 0.000 0.748 158 E HN 0.080 nan 8.360 nan 0.000 0.449 159 K N 0.390 120.697 120.400 -0.154 0.000 2.057 159 K HA -0.026 4.278 4.320 -0.027 0.000 0.206 159 K C 1.851 178.324 176.600 -0.212 0.000 1.050 159 K CA 0.954 57.072 56.287 -0.283 0.000 0.935 159 K CB 0.079 32.192 32.500 -0.646 0.000 0.715 159 K HN 0.110 nan 8.250 nan 0.000 0.439 160 I N -1.031 119.436 120.570 -0.171 0.000 2.867 160 I HA 0.126 4.280 4.170 -0.027 0.000 0.265 160 I C 0.746 176.812 176.117 -0.085 0.000 1.162 160 I CA 0.260 61.464 61.300 -0.159 0.000 1.471 160 I CB 0.112 37.902 38.000 -0.350 0.000 1.123 160 I HN 0.291 nan 8.210 nan 0.000 0.440 161 G N 0.982 109.732 108.800 -0.084 0.000 2.707 161 G HA2 -0.157 3.787 3.960 -0.027 0.000 0.686 161 G HA3 -0.157 3.787 3.960 -0.027 0.000 0.686 161 G C -0.088 174.779 174.900 -0.055 0.000 1.315 161 G CA -0.316 44.751 45.100 -0.055 0.000 0.832 161 G HN 0.379 nan 8.290 nan 0.000 0.573 162 V N -2.736 117.153 119.914 -0.042 0.000 2.988 162 V HA 0.677 4.781 4.120 -0.027 0.000 0.356 162 V C 1.233 177.321 176.094 -0.010 0.000 1.380 162 V CA 1.166 63.443 62.300 -0.038 0.000 1.184 162 V CB 0.295 32.081 31.823 -0.062 0.000 1.204 162 V HN 2.001 nan 8.190 nan 0.000 0.530 163 S N -0.362 115.340 115.700 0.003 0.000 2.601 163 S HA 0.688 5.142 4.470 -0.027 0.000 0.244 163 S C 0.774 175.393 174.600 0.032 0.000 1.001 163 S CA 0.278 58.487 58.200 0.014 0.000 0.984 163 S CB -0.044 63.161 63.200 0.008 0.000 0.842 163 S HN 2.086 nan 8.310 nan 0.000 0.474 164 G N 1.676 110.507 108.800 0.051 0.000 2.587 164 G HA2 -0.021 3.923 3.960 -0.027 0.000 0.686 164 G HA3 -0.021 3.923 3.960 -0.027 0.000 0.686 164 G C -0.217 174.737 174.900 0.090 0.000 1.236 164 G CA -0.467 44.678 45.100 0.074 0.000 0.820 164 G HN 1.040 nan 8.290 nan 0.000 0.645 165 I N -2.385 118.252 120.570 0.111 0.000 3.856 165 I HA 0.430 4.584 4.170 -0.027 0.000 0.330 165 I C 0.464 176.640 176.117 0.099 0.000 1.546 165 I CA -0.630 60.764 61.300 0.156 0.000 1.132 165 I CB 0.453 38.609 38.000 0.259 0.000 1.157 165 I HN 0.328 nan 8.210 nan 0.000 0.440 166 Q N 2.448 122.277 119.800 0.048 0.000 2.269 166 Q HA 0.315 4.639 4.340 -0.027 0.000 0.300 166 Q C 1.445 177.460 176.000 0.026 0.000 1.070 166 Q CA 1.688 57.502 55.803 0.018 0.000 0.957 166 Q CB 0.241 28.985 28.738 0.009 0.000 1.131 166 Q HN 0.686 nan 8.270 nan 0.000 0.377 167 G N 2.549 111.353 108.800 0.007 0.000 2.184 167 G HA2 -0.370 3.574 3.960 -0.027 0.000 0.264 167 G HA3 -0.370 3.574 3.960 -0.027 0.000 0.264 167 G C 0.600 175.497 174.900 -0.004 0.000 0.975 167 G CA 0.448 45.547 45.100 -0.002 0.000 0.642 167 G HN 0.581 nan 8.290 nan 0.000 0.536 168 R N -0.366 120.150 120.500 0.026 0.000 2.572 168 R HA 0.302 4.626 4.340 -0.027 0.000 0.370 168 R C 1.451 177.741 176.300 -0.018 0.000 1.005 168 R CA 0.264 56.367 56.100 0.004 0.000 1.146 168 R CB 0.269 30.659 30.300 0.150 0.000 1.390 168 R HN 0.340 nan 8.270 nan 0.000 0.553 169 E N 1.246 121.451 120.200 0.009 0.000 2.171 169 E HA -0.179 4.155 4.350 -0.027 0.000 0.197 169 E C 0.793 177.373 176.600 -0.033 0.000 0.997 169 E CA 1.271 57.684 56.400 0.022 0.000 0.810 169 E CB 0.071 29.753 29.700 -0.031 0.000 0.738 169 E HN 0.231 nan 8.360 nan 0.000 0.467 170 D N 0.266 120.599 120.400 -0.113 0.000 2.363 170 D HA 0.030 4.654 4.640 -0.027 0.000 0.214 170 D C -0.217 175.943 176.300 -0.233 0.000 1.093 170 D CA 0.062 53.984 54.000 -0.130 0.000 0.837 170 D CB 0.196 40.942 40.800 -0.091 0.000 0.948 170 D HN 0.285 nan 8.370 nan 0.000 0.507 171 E N 0.798 120.725 120.200 -0.455 0.000 2.418 171 E HA 0.167 4.501 4.350 -0.027 0.000 0.261 171 E C 0.134 176.359 176.600 -0.625 0.000 1.070 171 E CA 0.168 56.154 56.400 -0.690 0.000 0.931 171 E CB 1.342 30.301 29.700 -1.236 0.000 0.954 171 E HN 0.085 nan 8.360 nan 0.000 0.439 172 L N 2.396 123.426 121.223 -0.322 0.000 2.343 172 L HA 0.184 4.508 4.340 -0.027 0.000 0.275 172 L C 0.730 177.652 176.870 0.087 0.000 1.056 172 L CA -0.552 54.235 54.840 -0.087 0.000 0.804 172 L CB 0.874 42.898 42.059 -0.059 0.000 1.203 172 L HN 0.430 nan 8.230 nan 0.000 0.440 173 L N 3.612 124.852 121.223 0.028 0.000 2.888 173 L HA 0.033 4.357 4.340 -0.027 0.000 0.237 173 L C 1.067 177.628 176.870 -0.514 0.000 1.288 173 L CA 0.057 54.730 54.840 -0.279 0.000 1.110 173 L CB -0.593 41.309 42.059 -0.261 0.000 1.441 173 L HN 0.776 nan 8.230 nan 0.000 0.474 174 N N -0.509 118.068 118.700 -0.205 0.000 2.550 174 N HA -0.228 4.496 4.740 -0.027 0.000 0.186 174 N C 1.233 176.687 175.510 -0.094 0.000 1.110 174 N CA 0.646 53.623 53.050 -0.123 0.000 0.912 174 N CB -0.649 37.829 38.487 -0.015 0.000 0.968 174 N HN 0.468 nan 8.380 nan 0.000 0.448 175 F N -0.825 119.105 119.950 -0.033 0.000 2.811 175 F HA 0.437 4.949 4.527 -0.026 0.000 0.301 175 F C 0.143 175.856 175.800 -0.144 0.000 1.151 175 F CA -0.751 57.212 58.000 -0.063 0.000 1.412 175 F CB 0.000 38.978 39.000 -0.036 0.000 1.113 175 F HN -0.170 nan 8.300 nan 0.000 0.579 176 I N 2.803 123.075 120.570 -0.498 0.000 2.378 176 I HA 0.343 4.497 4.170 -0.027 0.000 0.291 176 I C -2.494 173.421 176.117 -0.336 0.000 0.992 176 I CA -2.466 58.518 61.300 -0.527 0.000 1.154 176 I CB 1.163 38.727 38.000 -0.727 0.000 1.315 176 I HN -0.212 nan 8.210 nan 0.000 0.448 177 P HA 0.132 nan 4.420 nan 0.000 0.264 177 P C 0.893 178.121 177.300 -0.120 0.000 1.193 177 P CA 0.698 63.722 63.100 -0.127 0.000 0.763 177 P CB 0.543 32.209 31.700 -0.056 0.000 0.810 178 G N 2.921 111.670 108.800 -0.086 0.000 2.176 178 G HA2 -0.246 3.698 3.960 -0.027 0.000 0.253 178 G HA3 -0.246 3.698 3.960 -0.027 0.000 0.253 178 G C 0.515 175.366 174.900 -0.081 0.000 0.979 178 G CA -0.108 44.954 45.100 -0.064 0.000 0.641 178 G HN 0.477 nan 8.290 nan 0.000 0.530 179 M N 1.625 121.149 119.600 -0.126 0.000 2.589 179 M HA 0.212 4.676 4.480 -0.027 0.000 0.344 179 M C 2.118 178.342 176.300 -0.126 0.000 1.168 179 M CA 0.895 56.110 55.300 -0.141 0.000 0.956 179 M CB 0.187 32.651 32.600 -0.227 0.000 1.370 179 M HN 0.492 nan 8.290 nan 0.000 0.518 180 S N 0.690 116.336 115.700 -0.091 0.000 2.419 180 S HA -0.099 4.355 4.470 -0.027 0.000 0.233 180 S C 1.540 176.108 174.600 -0.054 0.000 1.016 180 S CA 0.983 59.141 58.200 -0.071 0.000 0.974 180 S CB -0.215 62.958 63.200 -0.045 0.000 0.786 180 S HN 0.519 nan 8.310 nan 0.000 0.492 181 K N 1.066 121.440 120.400 -0.044 0.000 2.374 181 K HA 0.301 4.605 4.320 -0.027 0.000 0.196 181 K C 0.334 176.918 176.600 -0.026 0.000 1.023 181 K CA 0.089 56.358 56.287 -0.030 0.000 1.103 181 K CB 0.729 33.219 32.500 -0.018 0.000 0.848 181 K HN 0.405 nan 8.250 nan 0.000 0.528 182 V N 1.746 121.639 119.914 -0.035 0.000 2.461 182 V HA 0.225 4.329 4.120 -0.027 0.000 0.275 182 V C -0.382 175.722 176.094 0.017 0.000 1.047 182 V CA -0.678 61.613 62.300 -0.014 0.000 0.955 182 V CB 0.561 32.368 31.823 -0.026 0.000 0.988 182 V HN 0.140 nan 8.190 nan 0.000 0.471 183 R N 4.553 125.080 120.500 0.046 0.000 2.528 183 R HA 0.411 4.735 4.340 -0.027 0.000 0.271 183 R C 0.665 177.117 176.300 0.253 0.000 1.056 183 R CA -0.604 55.547 56.100 0.084 0.000 1.117 183 R CB 0.469 30.782 30.300 0.022 0.000 1.085 183 R HN 0.718 nan 8.270 nan 0.000 0.530 184 F N 1.822 121.799 119.950 0.045 0.000 2.087 184 F HA -0.232 4.279 4.527 -0.026 0.000 0.299 184 F C 2.404 178.327 175.800 0.206 0.000 1.100 184 F CA 1.816 59.883 58.000 0.111 0.000 1.226 184 F CB -0.663 38.404 39.000 0.113 0.000 0.983 184 F HN 0.556 nan 8.300 nan 0.000 0.479 185 R N 0.075 120.763 120.500 0.313 0.000 2.241 185 R HA -0.133 4.191 4.340 -0.027 0.000 0.224 185 R C 1.200 177.644 176.300 0.239 0.000 1.101 185 R CA 1.751 57.953 56.100 0.170 0.000 0.995 185 R CB -0.737 29.571 30.300 0.013 0.000 0.870 185 R HN 0.127 nan 8.270 nan 0.000 0.463 186 D N 0.955 121.478 120.400 0.205 0.000 2.317 186 D HA 0.054 4.678 4.640 -0.027 0.000 0.211 186 D C 0.646 177.042 176.300 0.159 0.000 0.966 186 D CA 0.389 54.476 54.000 0.146 0.000 0.876 186 D CB 0.001 40.850 40.800 0.082 0.000 0.927 186 D HN 0.205 nan 8.370 nan 0.000 0.519 187 L N 1.343 122.676 121.223 0.184 0.000 2.499 187 L HA -0.040 4.284 4.340 -0.027 0.000 0.281 187 L C 0.657 177.506 176.870 -0.034 0.000 1.234 187 L CA -0.089 54.754 54.840 0.004 0.000 0.839 187 L CB 0.256 42.232 42.059 -0.138 0.000 1.104 187 L HN -0.145 nan 8.230 nan 0.000 0.500 188 Q N 1.364 121.088 119.800 -0.126 0.000 2.421 188 Q HA 0.125 4.449 4.340 -0.027 0.000 0.255 188 Q C -0.586 175.272 176.000 -0.237 0.000 1.013 188 Q CA -0.262 55.507 55.803 -0.056 0.000 0.895 188 Q CB 0.366 29.093 28.738 -0.018 0.000 1.271 188 Q HN 0.329 nan 8.270 nan 0.000 0.460 189 E N 0.400 120.578 120.200 -0.037 0.000 2.442 189 E HA 0.279 4.613 4.350 -0.027 0.000 0.262 189 E C 0.899 177.433 176.600 -0.110 0.000 1.004 189 E CA 1.351 57.708 56.400 -0.072 0.000 0.928 189 E CB 0.155 29.957 29.700 0.169 0.000 0.937 189 E HN 0.767 nan 8.360 nan 0.000 0.446 190 G N 1.940 110.639 108.800 -0.168 0.000 2.195 190 G HA2 -0.242 3.702 3.960 -0.027 0.000 0.246 190 G HA3 -0.242 3.702 3.960 -0.027 0.000 0.246 190 G C 0.728 175.499 174.900 -0.214 0.000 0.984 190 G CA 0.208 45.223 45.100 -0.141 0.000 0.633 190 G HN 0.377 nan 8.290 nan 0.000 0.525 191 I N 0.600 120.975 120.570 -0.325 0.000 2.490 191 I HA 0.110 4.264 4.170 -0.027 0.000 0.234 191 I C 2.673 178.609 176.117 -0.303 0.000 1.066 191 I CA 2.354 63.462 61.300 -0.321 0.000 1.405 191 I CB -1.207 36.573 38.000 -0.366 0.000 1.191 191 I HN 0.586 nan 8.210 nan 0.000 0.433 192 V N -2.727 116.961 119.914 -0.378 0.000 3.502 192 V HA 0.315 4.419 4.120 -0.027 0.000 0.288 192 V C 0.051 176.114 176.094 -0.053 0.000 1.461 192 V CA -0.317 61.861 62.300 -0.203 0.000 1.029 192 V CB -0.201 31.532 31.823 -0.150 0.000 0.843 192 V HN 0.256 nan 8.190 nan 0.000 0.438 193 F N -1.259 118.669 119.950 -0.037 0.000 2.692 193 F HA 1.022 5.533 4.527 -0.027 0.000 0.320 193 F C 0.244 176.048 175.800 0.006 0.000 1.123 193 F CA -0.876 57.118 58.000 -0.011 0.000 0.961 193 F CB 0.806 39.810 39.000 0.006 0.000 1.383 193 F HN 0.574 nan 8.300 nan 0.000 0.483 194 G N 1.213 110.210 108.800 0.327 0.000 2.660 194 G HA2 -0.114 3.830 3.960 -0.027 0.000 0.247 194 G HA3 -0.114 3.830 3.960 -0.027 0.000 0.247 194 G C -1.424 173.535 174.900 0.099 0.000 1.328 194 G CA -0.511 44.707 45.100 0.198 0.000 0.884 194 G HN 1.177 nan 8.290 nan 0.000 0.531 195 N N 0.557 119.303 118.700 0.076 0.000 2.448 195 N HA 0.305 5.029 4.740 -0.027 0.000 0.250 195 N C 1.480 177.002 175.510 0.021 0.000 1.136 195 N CA -0.518 52.561 53.050 0.047 0.000 0.953 195 N CB 0.587 39.103 38.487 0.049 0.000 1.251 195 N HN 0.436 nan 8.380 nan 0.000 0.502 196 L N 3.041 124.262 121.223 -0.003 0.000 2.465 196 L HA 0.061 4.385 4.340 -0.027 0.000 0.224 196 L C 1.414 178.262 176.870 -0.037 0.000 1.145 196 L CA 0.900 55.714 54.840 -0.043 0.000 0.834 196 L CB -0.699 41.321 42.059 -0.065 0.000 0.944 196 L HN 0.517 nan 8.230 nan 0.000 0.451 197 N N -1.460 117.233 118.700 -0.012 0.000 2.236 197 N HA 0.020 4.744 4.740 -0.027 0.000 0.196 197 N C 0.523 176.038 175.510 0.008 0.000 1.114 197 N CA 0.109 53.155 53.050 -0.006 0.000 0.859 197 N CB 0.320 38.807 38.487 -0.001 0.000 0.982 197 N HN 0.250 nan 8.380 nan 0.000 0.493 198 S N -0.381 115.332 115.700 0.021 0.000 2.576 198 S HA -0.017 4.437 4.470 -0.027 0.000 0.272 198 S C 1.421 176.049 174.600 0.047 0.000 1.352 198 S CA -0.560 57.668 58.200 0.046 0.000 1.021 198 S CB 0.761 64.007 63.200 0.077 0.000 0.887 198 S HN 0.167 nan 8.310 nan 0.000 0.542 199 L N 1.269 122.535 121.223 0.073 0.000 2.042 199 L HA 0.043 4.367 4.340 -0.027 0.000 0.210 199 L C 2.014 178.950 176.870 0.109 0.000 1.076 199 L CA 1.834 56.724 54.840 0.083 0.000 0.749 199 L CB -1.308 40.819 42.059 0.114 0.000 0.893 199 L HN 0.825 nan 8.230 nan 0.000 0.432 200 F N -0.272 119.660 119.950 -0.029 0.000 2.171 200 F HA -0.167 4.343 4.527 -0.028 0.000 0.300 200 F C 2.547 178.282 175.800 -0.108 0.000 1.090 200 F CA 1.607 59.567 58.000 -0.067 0.000 1.293 200 F CB -0.596 38.372 39.000 -0.054 0.000 1.013 200 F HN 0.112 nan 8.300 nan 0.000 0.486 201 S N 0.053 115.724 115.700 -0.049 0.000 2.368 201 S HA -0.158 4.296 4.470 -0.027 0.000 0.224 201 S C 2.045 176.554 174.600 -0.152 0.000 1.029 201 S CA 1.223 59.346 58.200 -0.129 0.000 0.988 201 S CB -0.227 62.941 63.200 -0.053 0.000 0.838 201 S HN 0.355 nan 8.310 nan 0.000 0.462 202 R N 0.590 121.017 120.500 -0.123 0.000 2.092 202 R HA 0.037 4.361 4.340 -0.027 0.000 0.231 202 R C 2.478 178.566 176.300 -0.353 0.000 1.119 202 R CA 1.251 57.261 56.100 -0.150 0.000 0.970 202 R CB -0.340 29.886 30.300 -0.123 0.000 0.864 202 R HN 0.412 nan 8.270 nan 0.000 0.440 203 M N 0.421 119.766 119.600 -0.425 0.000 2.073 203 M HA -0.215 4.248 4.480 -0.027 0.000 0.258 203 M C 1.475 177.446 176.300 -0.548 0.000 1.070 203 M CA 1.735 56.652 55.300 -0.639 0.000 1.103 203 M CB 0.014 32.459 32.600 -0.258 0.000 1.321 203 M HN 0.097 nan 8.290 nan 0.000 0.405 204 L N -0.535 120.396 121.223 -0.488 0.000 2.217 204 L HA -0.161 4.163 4.340 -0.027 0.000 0.211 204 L C 2.481 179.250 176.870 -0.169 0.000 1.107 204 L CA 1.774 56.357 54.840 -0.429 0.000 0.783 204 L CB -1.569 40.148 42.059 -0.570 0.000 0.919 204 L HN 0.502 nan 8.230 nan 0.000 0.442 205 H N -0.877 118.039 119.070 -0.256 0.000 2.293 205 H HA -0.208 4.332 4.556 -0.027 0.000 0.300 205 H C 2.359 177.566 175.328 -0.202 0.000 1.082 205 H CA 1.341 57.281 56.048 -0.179 0.000 1.308 205 H CB 0.448 30.105 29.762 -0.176 0.000 1.375 205 H HN 0.021 nan 8.280 nan 0.000 0.495 206 R N 1.202 121.433 120.500 -0.448 0.000 2.081 206 R HA -0.128 4.196 4.340 -0.027 0.000 0.235 206 R C 2.645 178.799 176.300 -0.245 0.000 1.131 206 R CA 1.745 57.542 56.100 -0.506 0.000 0.960 206 R CB -1.010 28.787 30.300 -0.838 0.000 0.856 206 R HN 0.514 nan 8.270 nan 0.000 0.436 207 M N -0.719 118.776 119.600 -0.175 0.000 2.073 207 M HA -0.145 4.319 4.480 -0.027 0.000 0.258 207 M C 1.909 178.251 176.300 0.069 0.000 1.070 207 M CA 2.524 57.879 55.300 0.090 0.000 1.103 207 M CB -0.796 31.862 32.600 0.096 0.000 1.321 207 M HN 0.281 nan 8.290 nan 0.000 0.405 208 G N -0.281 108.518 108.800 -0.002 0.000 2.469 208 G HA2 -0.274 3.670 3.960 -0.027 0.000 0.220 208 G HA3 -0.274 3.670 3.960 -0.027 0.000 0.220 208 G C 1.303 176.189 174.900 -0.023 0.000 1.136 208 G CA 1.060 46.162 45.100 0.003 0.000 0.759 208 G HN 0.677 nan 8.290 nan 0.000 0.562 209 Q N -0.652 119.118 119.800 -0.050 0.000 2.187 209 Q HA 0.067 4.391 4.340 -0.027 0.000 0.199 209 Q C 2.640 178.647 176.000 0.012 0.000 0.957 209 Q CA 0.888 56.657 55.803 -0.057 0.000 0.857 209 Q CB 0.120 28.774 28.738 -0.139 0.000 0.929 209 Q HN 0.435 nan 8.270 nan 0.000 0.453 210 V N 0.589 120.555 119.914 0.087 0.000 3.174 210 V HA -0.085 4.019 4.120 -0.027 0.000 0.254 210 V C 1.953 178.251 176.094 0.341 0.000 1.120 210 V CA 0.551 62.966 62.300 0.192 0.000 1.114 210 V CB -0.159 31.777 31.823 0.188 0.000 0.756 210 V HN 0.296 nan 8.190 nan 0.000 0.467 211 L N 0.463 121.843 121.223 0.261 0.000 2.081 211 L HA -0.158 4.166 4.340 -0.027 0.000 0.212 211 L C -0.150 176.734 176.870 0.023 0.000 1.080 211 L CA 1.918 56.840 54.840 0.137 0.000 0.754 211 L CB -1.588 40.471 42.059 0.000 0.000 0.893 211 L HN 0.365 nan 8.230 nan 0.000 0.433 212 P HA -0.167 nan 4.420 nan 0.000 0.223 212 P C 0.973 178.298 177.300 0.041 0.000 1.144 212 P CA 1.264 64.354 63.100 -0.017 0.000 0.783 212 P CB 0.005 31.680 31.700 -0.043 0.000 0.771 213 K N -1.019 119.462 120.400 0.135 0.000 2.400 213 K HA 0.220 4.524 4.320 -0.027 0.000 0.194 213 K C 0.934 177.681 176.600 0.246 0.000 1.033 213 K CA -0.175 56.225 56.287 0.188 0.000 1.021 213 K CB 0.001 32.632 32.500 0.218 0.000 0.808 213 K HN 0.067 nan 8.250 nan 0.000 0.505 214 A N 1.302 124.214 122.820 0.154 0.000 2.520 214 A HA 0.003 4.307 4.320 -0.027 0.000 0.235 214 A C 1.180 178.754 177.584 -0.017 0.000 1.065 214 A CA 0.105 52.090 52.037 -0.085 0.000 0.764 214 A CB 0.188 18.766 19.000 -0.705 0.000 1.002 214 A HN 0.183 nan 8.150 nan 0.000 0.502 215 T N 1.119 115.684 114.554 0.019 0.000 2.635 215 T HA 0.127 4.461 4.350 -0.027 0.000 0.267 215 T C 0.848 175.548 174.700 -0.000 0.000 1.040 215 T CA 2.037 64.153 62.100 0.028 0.000 1.156 215 T CB -0.251 68.648 68.868 0.051 0.000 0.863 215 T HN 1.528 nan 8.240 nan 0.000 0.430 216 A N -0.040 122.759 122.820 -0.035 0.000 2.566 216 A HA 0.615 4.919 4.320 -0.027 0.000 0.297 216 A C -1.300 176.280 177.584 -0.006 0.000 1.059 216 A CA -0.737 51.308 52.037 0.014 0.000 0.691 216 A CB 1.513 20.556 19.000 0.071 0.000 1.282 216 A HN 0.079 nan 8.150 nan 0.000 0.401 217 V N 2.525 122.466 119.914 0.046 0.000 2.394 217 V HA 0.628 4.732 4.120 -0.027 0.000 0.282 217 V C -0.385 175.864 176.094 0.258 0.000 1.031 217 V CA -0.183 62.150 62.300 0.054 0.000 0.881 217 V CB 0.413 32.249 31.823 0.022 0.000 0.982 217 V HN 0.844 nan 8.190 nan 0.000 0.451 218 F N 4.161 124.220 119.950 0.183 0.000 2.556 218 F HA 0.915 5.426 4.527 -0.027 0.000 0.327 218 F C -0.726 175.325 175.800 0.419 0.000 1.059 218 F CA -1.329 56.807 58.000 0.226 0.000 0.953 218 F CB 1.641 40.747 39.000 0.177 0.000 1.227 218 F HN 0.415 nan 8.300 nan 0.000 0.478 219 I N 1.868 122.750 120.570 0.520 0.000 2.752 219 I HA 0.316 4.470 4.170 -0.027 0.000 0.295 219 I C -1.366 174.966 176.117 0.357 0.000 1.219 219 I CA -0.784 60.764 61.300 0.412 0.000 1.030 219 I CB 2.110 40.272 38.000 0.268 0.000 1.259 219 I HN 0.810 nan 8.210 nan 0.000 0.423 220 N N 4.836 123.669 118.700 0.221 0.000 3.050 220 N HA 0.276 5.000 4.740 -0.027 0.000 0.289 220 N C -1.199 174.317 175.510 0.010 0.000 1.209 220 N CA 0.411 53.309 53.050 -0.253 0.000 1.154 220 N CB 0.108 38.204 38.487 -0.652 0.000 1.444 220 N HN 0.606 nan 8.380 nan 0.000 0.529 221 S N 1.209 116.935 115.700 0.045 0.000 2.752 221 S HA 0.692 5.146 4.470 -0.027 0.000 0.284 221 S C -1.667 172.982 174.600 0.082 0.000 1.189 221 S CA -0.815 57.412 58.200 0.045 0.000 0.835 221 S CB 0.233 63.526 63.200 0.154 0.000 1.192 221 S HN 0.256 nan 8.310 nan 0.000 0.506 222 F N 0.531 120.421 119.950 -0.101 0.000 2.532 222 F HA 0.672 5.182 4.527 -0.029 0.000 0.321 222 F C 0.963 176.764 175.800 0.002 0.000 1.089 222 F CA -0.846 57.120 58.000 -0.058 0.000 0.926 222 F CB 1.008 39.960 39.000 -0.079 0.000 1.168 222 F HN 0.656 nan 8.300 nan 0.000 0.459 223 E N 1.113 121.340 120.200 0.045 0.000 2.097 223 E HA -0.221 4.113 4.350 -0.027 0.000 0.196 223 E C 1.054 177.636 176.600 -0.029 0.000 1.000 223 E CA 2.240 58.638 56.400 -0.003 0.000 0.804 223 E CB -0.051 29.675 29.700 0.044 0.000 0.740 223 E HN 0.798 nan 8.360 nan 0.000 0.454 224 E N 0.433 120.685 120.200 0.087 0.000 2.516 224 E HA -0.104 4.230 4.350 -0.027 0.000 0.199 224 E C 1.550 178.137 176.600 -0.022 0.000 1.069 224 E CA -0.017 56.465 56.400 0.137 0.000 0.876 224 E CB 0.005 29.901 29.700 0.327 0.000 0.843 224 E HN 0.101 nan 8.360 nan 0.000 0.530 225 L N 0.776 121.633 121.223 -0.610 0.000 2.079 225 L HA -0.089 4.234 4.340 -0.027 0.000 0.210 225 L C 0.086 176.881 176.870 -0.126 0.000 1.081 225 L CA 1.670 56.173 54.840 -0.562 0.000 0.752 225 L CB 0.326 41.902 42.059 -0.805 0.000 0.896 225 L HN -0.012 nan 8.230 nan 0.000 0.433 226 D N -1.739 118.607 120.400 -0.090 0.000 2.333 226 D HA 0.052 4.676 4.640 -0.027 0.000 0.225 226 D C 0.036 176.341 176.300 0.007 0.000 1.345 226 D CA -0.216 53.779 54.000 -0.010 0.000 0.971 226 D CB 0.714 41.516 40.800 0.004 0.000 1.451 226 D HN -0.034 nan 8.370 nan 0.000 0.561 227 D N 1.030 121.445 120.400 0.025 0.000 2.133 227 D HA -0.133 4.491 4.640 -0.027 0.000 0.195 227 D C 1.644 177.967 176.300 0.037 0.000 0.997 227 D CA 1.197 55.220 54.000 0.038 0.000 0.840 227 D CB 0.298 41.123 40.800 0.042 0.000 0.947 227 D HN 0.286 nan 8.370 nan 0.000 0.452 228 S N 0.359 116.075 115.700 0.027 0.000 2.355 228 S HA -0.108 4.346 4.470 -0.027 0.000 0.222 228 S C 1.865 176.475 174.600 0.017 0.000 1.031 228 S CA 0.253 58.465 58.200 0.020 0.000 0.993 228 S CB -0.256 62.950 63.200 0.009 0.000 0.859 228 S HN 0.140 nan 8.310 nan 0.000 0.453 229 L N 1.931 123.160 121.223 0.011 0.000 2.012 229 L HA -0.121 4.203 4.340 -0.027 0.000 0.210 229 L C 2.316 179.201 176.870 0.026 0.000 1.073 229 L CA 1.929 56.770 54.840 0.001 0.000 0.748 229 L CB -1.457 40.599 42.059 -0.004 0.000 0.891 229 L HN 0.222 nan 8.230 nan 0.000 0.431 230 T N -0.033 114.568 114.554 0.079 0.000 2.684 230 T HA -0.158 4.176 4.350 -0.027 0.000 0.267 230 T C 1.709 176.492 174.700 0.139 0.000 1.036 230 T CA 1.620 63.829 62.100 0.181 0.000 1.148 230 T CB -0.331 68.625 68.868 0.146 0.000 0.863 230 T HN 0.361 nan 8.240 nan 0.000 0.436 231 N N 1.064 119.812 118.700 0.080 0.000 2.120 231 N HA -0.095 4.629 4.740 -0.027 0.000 0.188 231 N C 1.678 177.210 175.510 0.037 0.000 1.024 231 N CA 1.180 54.267 53.050 0.061 0.000 0.852 231 N CB -0.576 37.938 38.487 0.045 0.000 1.003 231 N HN 0.420 nan 8.380 nan 0.000 0.424 232 D N 0.286 120.698 120.400 0.021 0.000 2.117 232 D HA -0.005 4.619 4.640 -0.027 0.000 0.198 232 D C 2.014 178.288 176.300 -0.043 0.000 0.982 232 D CA 0.601 54.610 54.000 0.014 0.000 0.828 232 D CB -0.024 40.798 40.800 0.038 0.000 0.967 232 D HN 0.145 nan 8.370 nan 0.000 0.464 233 L N 0.035 121.183 121.223 -0.126 0.000 2.093 233 L HA -0.085 4.239 4.340 -0.027 0.000 0.208 233 L C 2.400 179.127 176.870 -0.238 0.000 1.085 233 L CA 0.965 55.598 54.840 -0.345 0.000 0.755 233 L CB -0.271 41.299 42.059 -0.814 0.000 0.904 233 L HN -0.008 nan 8.230 nan 0.000 0.435 234 K N -0.216 120.171 120.400 -0.022 0.000 2.209 234 K HA -0.153 4.151 4.320 -0.027 0.000 0.204 234 K C 2.321 178.928 176.600 0.012 0.000 1.048 234 K CA 1.580 57.909 56.287 0.071 0.000 0.940 234 K CB -0.153 32.425 32.500 0.131 0.000 0.729 234 K HN 0.370 nan 8.250 nan 0.000 0.451 235 S N 0.746 116.439 115.700 -0.012 0.000 2.436 235 S HA -0.025 4.429 4.470 -0.027 0.000 0.228 235 S C 1.716 176.285 174.600 -0.052 0.000 1.014 235 S CA 0.684 58.874 58.200 -0.017 0.000 0.950 235 S CB 0.122 63.322 63.200 -0.000 0.000 0.784 235 S HN 0.099 nan 8.310 nan 0.000 0.504 236 K N 0.444 120.781 120.400 -0.105 0.000 2.356 236 K HA 0.386 4.690 4.320 -0.027 0.000 0.195 236 K C 0.298 176.813 176.600 -0.143 0.000 1.037 236 K CA 0.168 56.358 56.287 -0.162 0.000 1.014 236 K CB 0.082 32.415 32.500 -0.279 0.000 0.815 236 K HN 0.436 nan 8.250 nan 0.000 0.507 237 L N 0.432 121.585 121.223 -0.117 0.000 2.333 237 L HA 0.302 4.626 4.340 -0.027 0.000 0.269 237 L C 1.347 178.204 176.870 -0.021 0.000 1.010 237 L CA -0.690 54.100 54.840 -0.083 0.000 0.818 237 L CB 1.809 43.804 42.059 -0.108 0.000 1.306 237 L HN -0.204 nan 8.230 nan 0.000 0.430 238 K N 0.043 120.439 120.400 -0.006 0.000 2.002 238 K HA -0.012 4.292 4.320 -0.027 0.000 0.209 238 K C -0.049 176.573 176.600 0.036 0.000 1.048 238 K CA 1.261 57.557 56.287 0.015 0.000 0.930 238 K CB 0.026 32.538 32.500 0.019 0.000 0.714 238 K HN 0.585 nan 8.250 nan 0.000 0.438 239 T N -0.495 114.090 114.554 0.053 0.000 2.971 239 T HA 0.289 4.623 4.350 -0.027 0.000 0.304 239 T C -1.904 172.889 174.700 0.156 0.000 1.038 239 T CA -0.661 61.489 62.100 0.084 0.000 1.007 239 T CB 1.490 70.391 68.868 0.055 0.000 1.055 239 T HN 0.074 nan 8.240 nan 0.000 0.451 240 Y N 3.667 123.976 120.300 0.014 0.000 2.329 240 Y HA 0.655 5.189 4.550 -0.028 0.000 0.328 240 Y C -1.948 173.990 175.900 0.063 0.000 0.992 240 Y CA -1.543 56.571 58.100 0.024 0.000 1.151 240 Y CB 0.811 39.265 38.460 -0.012 0.000 1.150 240 Y HN 0.558 nan 8.280 nan 0.000 0.450 241 L N 7.031 128.119 121.223 -0.226 0.000 2.353 241 L HA 0.413 4.737 4.340 -0.027 0.000 0.270 241 L C -0.366 176.401 176.870 -0.172 0.000 1.003 241 L CA -0.543 54.209 54.840 -0.148 0.000 0.862 241 L CB 1.003 43.092 42.059 0.049 0.000 1.221 241 L HN 0.640 nan 8.230 nan 0.000 0.430 242 N N 4.497 123.019 118.700 -0.296 0.000 2.452 242 N HA 0.208 4.932 4.740 -0.027 0.000 0.266 242 N C 0.434 175.991 175.510 0.078 0.000 1.175 242 N CA 0.202 53.187 53.050 -0.108 0.000 0.945 242 N CB 1.681 40.094 38.487 -0.124 0.000 1.063 242 N HN 0.635 nan 8.380 nan 0.000 0.472 243 I N -1.194 119.498 120.570 0.203 0.000 3.817 243 I HA 0.450 4.604 4.170 -0.027 0.000 0.325 243 I C 0.562 176.875 176.117 0.327 0.000 1.550 243 I CA -0.594 60.879 61.300 0.289 0.000 1.100 243 I CB 0.813 39.066 38.000 0.421 0.000 1.216 243 I HN 0.261 nan 8.210 nan 0.000 0.481 244 G N 1.149 110.062 108.800 0.188 0.000 3.251 244 G HA2 0.669 4.613 3.960 -0.027 0.000 0.248 244 G HA3 0.669 4.613 3.960 -0.027 0.000 0.248 244 G C -3.169 171.741 174.900 0.017 0.000 1.320 244 G CA -1.780 43.379 45.100 0.097 0.000 0.982 244 G HN -0.056 nan 8.290 nan 0.000 0.575 245 P HA 0.223 nan 4.420 nan 0.000 0.276 245 P C 0.317 177.658 177.300 0.069 0.000 1.235 245 P CA -0.438 62.557 63.100 -0.175 0.000 0.772 245 P CB 0.527 32.043 31.700 -0.306 0.000 0.871 246 F N 2.592 122.540 119.950 -0.002 0.000 2.120 246 F HA -0.217 4.294 4.527 -0.025 0.000 0.300 246 F C 1.967 177.757 175.800 -0.016 0.000 1.095 246 F CA 1.852 59.847 58.000 -0.009 0.000 1.249 246 F CB -2.053 36.976 39.000 0.049 0.000 0.995 246 F HN 0.452 nan 8.300 nan 0.000 0.480 247 N N 0.299 119.124 118.700 0.208 0.000 2.453 247 N HA -0.125 4.599 4.740 -0.027 0.000 0.183 247 N C 1.391 176.941 175.510 0.066 0.000 1.041 247 N CA 0.692 53.818 53.050 0.126 0.000 0.900 247 N CB -0.515 38.048 38.487 0.126 0.000 0.961 247 N HN 0.315 nan 8.380 nan 0.000 0.443 248 L N -0.146 121.106 121.223 0.048 0.000 2.509 248 L HA 0.188 4.512 4.340 -0.027 0.000 0.222 248 L C 1.698 178.559 176.870 -0.016 0.000 1.123 248 L CA 0.285 55.128 54.840 0.005 0.000 0.856 248 L CB -0.037 42.006 42.059 -0.027 0.000 0.985 248 L HN 0.275 nan 8.230 nan 0.000 0.456 249 I N -1.335 119.230 120.570 -0.008 0.000 2.628 249 I HA 0.009 4.163 4.170 -0.027 0.000 0.255 249 I C 0.771 176.850 176.117 -0.063 0.000 1.119 249 I CA 0.684 61.952 61.300 -0.053 0.000 1.448 249 I CB 0.310 38.258 38.000 -0.086 0.000 1.133 249 I HN 0.103 nan 8.210 nan 0.000 0.438 261 C N 1.675 120.973 119.300 -0.002 0.000 2.413 261 C HA 0.093 4.537 4.460 -0.027 0.000 0.276 261 C C 2.828 177.851 174.990 0.055 0.000 1.236 261 C CA 1.306 60.316 59.018 -0.014 0.000 1.735 261 C CB -1.216 26.483 27.740 -0.069 0.000 2.031 261 C HN 0.447 nan 8.230 nan 0.000 0.474 262 L N 0.318 121.558 121.223 0.028 0.000 2.093 262 L HA -0.186 4.138 4.340 -0.027 0.000 0.208 262 L C 2.733 179.633 176.870 0.050 0.000 1.085 262 L CA 1.516 56.372 54.840 0.027 0.000 0.755 262 L CB -1.059 41.032 42.059 0.053 0.000 0.904 262 L HN 0.515 nan 8.230 nan 0.000 0.435 263 Q N -0.124 119.721 119.800 0.074 0.000 2.084 263 Q HA -0.271 4.053 4.340 -0.027 0.000 0.202 263 Q C 2.234 178.289 176.000 0.092 0.000 0.978 263 Q CA 2.091 57.938 55.803 0.074 0.000 0.844 263 Q CB -0.272 28.508 28.738 0.070 0.000 0.898 263 Q HN 0.530 nan 8.270 nan 0.000 0.426 264 W N 0.439 121.691 121.300 -0.080 0.000 2.355 264 W HA -0.215 4.427 4.660 -0.030 0.000 0.309 264 W C 1.679 178.118 176.519 -0.133 0.000 1.206 264 W CA 0.760 58.047 57.345 -0.095 0.000 1.284 264 W CB -0.235 29.166 29.460 -0.099 0.000 1.145 264 W HN 0.214 nan 8.180 nan 0.000 0.502 265 L N 1.595 122.870 121.223 0.087 0.000 2.127 265 L HA -0.215 4.109 4.340 -0.027 0.000 0.211 265 L C 2.407 179.095 176.870 -0.303 0.000 1.089 265 L CA 1.968 56.646 54.840 -0.270 0.000 0.757 265 L CB -1.636 40.020 42.059 -0.673 0.000 0.899 265 L HN 0.096 nan 8.230 nan 0.000 0.434 266 K N -0.357 119.977 120.400 -0.111 0.000 2.160 266 K HA -0.195 4.109 4.320 -0.027 0.000 0.206 266 K C 1.257 177.827 176.600 -0.050 0.000 1.047 266 K CA 1.422 57.728 56.287 0.032 0.000 0.930 266 K CB 0.186 32.706 32.500 0.034 0.000 0.720 266 K HN 0.281 nan 8.250 nan 0.000 0.450 267 E N 0.405 120.502 120.200 -0.172 0.000 2.479 267 E HA 0.022 4.356 4.350 -0.027 0.000 0.193 267 E C -0.085 176.367 176.600 -0.247 0.000 1.049 267 E CA 0.197 56.476 56.400 -0.202 0.000 0.870 267 E CB 0.332 29.883 29.700 -0.247 0.000 0.944 267 E HN 0.113 nan 8.360 nan 0.000 0.492 268 R N 1.311 121.653 120.500 -0.263 0.000 2.536 268 R HA 0.286 4.610 4.340 -0.027 0.000 0.279 268 R C 0.614 176.850 176.300 -0.106 0.000 1.001 268 R CA -0.851 55.102 56.100 -0.244 0.000 1.027 268 R CB 0.614 30.724 30.300 -0.317 0.000 1.096 268 R HN -0.196 nan 8.270 nan 0.000 0.502 269 K N 2.092 122.441 120.400 -0.085 0.000 2.319 269 K HA 0.213 4.517 4.320 -0.027 0.000 0.265 269 K C -2.158 174.436 176.600 -0.011 0.000 1.000 269 K CA -2.008 54.254 56.287 -0.042 0.000 0.943 269 K CB -0.249 32.226 32.500 -0.041 0.000 0.950 269 K HN 0.290 nan 8.250 nan 0.000 0.485 270 P HA -0.022 nan 4.420 nan 0.000 0.264 270 P C -0.513 176.797 177.300 0.017 0.000 1.183 270 P CA 0.658 63.767 63.100 0.015 0.000 0.763 270 P CB 0.173 31.873 31.700 0.001 0.000 0.807 271 T N 0.040 114.613 114.554 0.031 0.000 4.096 271 T HA -0.192 4.142 4.350 -0.027 0.000 0.343 271 T C 0.793 175.509 174.700 0.027 0.000 0.756 271 T CA 1.359 63.477 62.100 0.031 0.000 1.914 271 T CB -2.565 66.316 68.868 0.022 0.000 1.873 271 T HN 0.640 nan 8.240 nan 0.000 0.850 272 S N -2.513 113.202 115.700 0.025 0.000 2.549 272 S HA 0.445 4.899 4.470 -0.027 0.000 0.225 272 S C 0.528 175.144 174.600 0.027 0.000 1.039 272 S CA -0.135 58.073 58.200 0.014 0.000 0.942 272 S CB 0.700 63.896 63.200 -0.006 0.000 0.881 272 S HN 0.441 nan 8.310 nan 0.000 0.503 273 V N 2.748 122.695 119.914 0.054 0.000 2.472 273 V HA 0.504 4.608 4.120 -0.027 0.000 0.290 273 V C -0.280 175.863 176.094 0.081 0.000 1.037 273 V CA -0.767 61.594 62.300 0.102 0.000 0.908 273 V CB 1.644 33.569 31.823 0.169 0.000 0.985 273 V HN 0.286 nan 8.190 nan 0.000 0.454 274 V N 5.120 125.066 119.914 0.052 0.000 2.383 274 V HA 0.277 4.381 4.120 -0.027 0.000 0.275 274 V C -0.564 175.608 176.094 0.130 0.000 1.036 274 V CA -0.583 61.716 62.300 -0.001 0.000 0.889 274 V CB 0.975 32.614 31.823 -0.306 0.000 0.985 274 V HN 0.748 nan 8.190 nan 0.000 0.459 275 Y N 6.348 126.662 120.300 0.023 0.000 2.323 275 Y HA 0.713 5.247 4.550 -0.027 0.000 0.331 275 Y C -0.444 175.505 175.900 0.083 0.000 1.092 275 Y CA -1.049 57.056 58.100 0.008 0.000 1.150 275 Y CB 1.234 39.611 38.460 -0.138 0.000 1.200 275 Y HN 0.544 nan 8.280 nan 0.000 0.472 276 I N 4.894 125.029 120.570 -0.725 0.000 2.466 276 I HA 0.519 4.673 4.170 -0.027 0.000 0.289 276 I C -0.652 174.995 176.117 -0.784 0.000 1.026 276 I CA -0.281 60.636 61.300 -0.638 0.000 1.078 276 I CB 1.972 39.562 38.000 -0.682 0.000 1.249 276 I HN 0.553 nan 8.210 nan 0.000 0.429 277 S N 4.418 119.717 115.700 -0.668 0.000 2.542 277 S HA 0.578 5.032 4.470 -0.027 0.000 0.276 277 S C -0.960 173.262 174.600 -0.630 0.000 1.148 277 S CA -0.436 57.495 58.200 -0.449 0.000 0.886 277 S CB 0.662 63.764 63.200 -0.163 0.000 1.109 277 S HN 0.371 nan 8.310 nan 0.000 0.458 278 F N 3.166 123.153 119.950 0.062 0.000 2.772 278 F HA 0.548 5.055 4.527 -0.033 0.000 0.302 278 F C 1.470 176.893 175.800 -0.628 0.000 1.136 278 F CA 0.444 58.351 58.000 -0.154 0.000 1.322 278 F CB 0.589 39.594 39.000 0.008 0.000 0.967 278 F HN 1.025 nan 8.300 nan 0.000 0.513 279 G N 1.116 109.727 108.800 -0.314 0.000 2.481 279 G HA2 -0.277 3.667 3.960 -0.027 0.000 0.230 279 G HA3 -0.277 3.667 3.960 -0.027 0.000 0.230 279 G C 0.830 175.794 174.900 0.107 0.000 1.210 279 G CA 0.170 45.158 45.100 -0.186 0.000 0.936 279 G HN 0.366 nan 8.290 nan 0.000 0.583 280 T N -2.259 112.417 114.554 0.203 0.000 2.959 280 T HA 0.428 4.762 4.350 -0.027 0.000 0.254 280 T C 1.694 176.524 174.700 0.217 0.000 1.003 280 T CA 1.877 64.138 62.100 0.268 0.000 0.950 280 T CB 0.450 69.506 68.868 0.314 0.000 1.090 280 T HN 1.999 nan 8.240 nan 0.000 0.503 281 V N -1.352 118.694 119.914 0.220 0.000 3.276 281 V HA 0.478 4.582 4.120 -0.027 0.000 0.319 281 V C -0.230 175.934 176.094 0.117 0.000 1.476 281 V CA -0.439 61.965 62.300 0.174 0.000 1.097 281 V CB -0.224 31.718 31.823 0.198 0.000 0.988 281 V HN 0.294 nan 8.190 nan 0.000 0.473 282 T N 0.765 115.368 114.554 0.082 0.000 2.887 282 T HA 0.682 5.016 4.350 -0.027 0.000 0.288 282 T C -0.358 174.285 174.700 -0.095 0.000 1.021 282 T CA -0.233 61.813 62.100 -0.090 0.000 1.000 282 T CB 2.190 70.890 68.868 -0.280 0.000 1.034 282 T HN 0.279 nan 8.240 nan 0.000 0.467 283 T N 3.572 118.015 114.554 -0.185 0.000 2.886 283 T HA 0.581 4.915 4.350 -0.027 0.000 0.292 283 T C -2.515 172.019 174.700 -0.277 0.000 1.012 283 T CA -1.168 60.869 62.100 -0.106 0.000 0.982 283 T CB 1.668 70.544 68.868 0.014 0.000 1.018 283 T HN 0.311 nan 8.240 nan 0.000 0.451 284 P HA 0.260 nan 4.420 nan 0.000 0.271 284 P C -2.482 174.778 177.300 -0.066 0.000 1.233 284 P CA -1.201 61.814 63.100 -0.143 0.000 0.789 284 P CB -0.360 31.280 31.700 -0.100 0.000 0.951 285 P HA 0.067 nan 4.420 nan 0.000 0.270 285 P C -2.033 175.203 177.300 -0.106 0.000 1.223 285 P CA -1.228 61.825 63.100 -0.078 0.000 0.785 285 P CB -0.510 31.165 31.700 -0.041 0.000 0.923 286 P HA -0.196 nan 4.420 nan 0.000 0.216 286 P C 1.430 178.696 177.300 -0.056 0.000 1.150 286 P CA 2.170 65.120 63.100 -0.250 0.000 0.843 286 P CB -0.444 31.034 31.700 -0.369 0.000 0.787 287 A N -0.276 122.523 122.820 -0.035 0.000 1.969 287 A HA -0.205 4.099 4.320 -0.027 0.000 0.218 287 A C 2.134 179.743 177.584 0.042 0.000 1.169 287 A CA 1.476 53.516 52.037 0.005 0.000 0.635 287 A CB -0.998 18.001 19.000 -0.002 0.000 0.810 287 A HN 0.192 nan 8.150 nan 0.000 0.445 288 E N -0.509 119.727 120.200 0.060 0.000 2.158 288 E HA -0.058 4.276 4.350 -0.027 0.000 0.191 288 E C 1.930 178.675 176.600 0.240 0.000 0.982 288 E CA 0.848 57.345 56.400 0.161 0.000 0.823 288 E CB -0.118 29.642 29.700 0.101 0.000 0.766 288 E HN 0.388 nan 8.360 nan 0.000 0.468 289 V N 1.004 121.037 119.914 0.198 0.000 2.287 289 V HA -0.252 3.852 4.120 -0.027 0.000 0.248 289 V C 2.342 178.541 176.094 0.175 0.000 1.053 289 V CA 1.370 63.843 62.300 0.287 0.000 1.027 289 V CB -0.351 31.611 31.823 0.230 0.000 0.646 289 V HN 0.132 nan 8.190 nan 0.000 0.447 290 V N 0.290 120.253 119.914 0.081 0.000 2.255 290 V HA -0.296 3.808 4.120 -0.027 0.000 0.247 290 V C 2.726 178.817 176.094 -0.005 0.000 1.051 290 V CA 2.162 64.474 62.300 0.020 0.000 1.018 290 V CB -1.279 30.560 31.823 0.026 0.000 0.641 290 V HN 0.571 nan 8.190 nan 0.000 0.445 291 A N -0.125 122.708 122.820 0.022 0.000 1.883 291 A HA -0.242 4.062 4.320 -0.027 0.000 0.217 291 A C 2.191 179.719 177.584 -0.095 0.000 1.186 291 A CA 2.336 54.369 52.037 -0.006 0.000 0.624 291 A CB -0.674 18.356 19.000 0.049 0.000 0.822 291 A HN 0.463 nan 8.150 nan 0.000 0.444 292 L N 0.166 121.293 121.223 -0.159 0.000 2.046 292 L HA -0.109 4.215 4.340 -0.027 0.000 0.208 292 L C 2.498 179.174 176.870 -0.324 0.000 1.077 292 L CA 2.651 57.259 54.840 -0.387 0.000 0.747 292 L CB -0.825 40.826 42.059 -0.679 0.000 0.896 292 L HN 0.311 nan 8.230 nan 0.000 0.432 293 S N -0.378 115.153 115.700 -0.281 0.000 2.370 293 S HA -0.222 4.232 4.470 -0.027 0.000 0.226 293 S C 1.794 176.361 174.600 -0.055 0.000 1.033 293 S CA 1.655 59.589 58.200 -0.443 0.000 1.011 293 S CB -0.391 62.320 63.200 -0.815 0.000 0.852 293 S HN 0.575 nan 8.310 nan 0.000 0.457 294 E N 1.103 121.287 120.200 -0.026 0.000 2.072 294 E HA -0.064 4.270 4.350 -0.027 0.000 0.191 294 E C 2.436 179.084 176.600 0.081 0.000 0.985 294 E CA 0.925 57.362 56.400 0.060 0.000 0.801 294 E CB -0.261 29.455 29.700 0.027 0.000 0.750 294 E HN 0.515 nan 8.360 nan 0.000 0.452 295 A N 1.254 124.087 122.820 0.022 0.000 1.902 295 A HA -0.170 4.134 4.320 -0.027 0.000 0.217 295 A C 2.198 179.920 177.584 0.230 0.000 1.181 295 A CA 1.088 53.161 52.037 0.061 0.000 0.623 295 A CB -0.660 18.286 19.000 -0.091 0.000 0.818 295 A HN 0.118 nan 8.150 nan 0.000 0.443 296 L N -0.962 120.373 121.223 0.187 0.000 2.017 296 L HA -0.212 4.112 4.340 -0.027 0.000 0.208 296 L C 2.723 179.814 176.870 0.369 0.000 1.073 296 L CA 1.965 56.922 54.840 0.196 0.000 0.745 296 L CB -0.549 41.424 42.059 -0.145 0.000 0.894 296 L HN 0.590 nan 8.230 nan 0.000 0.432 297 E N 0.281 120.722 120.200 0.402 0.000 2.077 297 E HA -0.237 4.097 4.350 -0.027 0.000 0.193 297 E C 2.206 178.976 176.600 0.282 0.000 0.989 297 E CA 1.187 57.842 56.400 0.424 0.000 0.800 297 E CB 0.002 29.947 29.700 0.408 0.000 0.746 297 E HN 0.448 nan 8.360 nan 0.000 0.452 298 A N 0.782 123.726 122.820 0.206 0.000 1.930 298 A HA -0.164 4.140 4.320 -0.027 0.000 0.217 298 A C 2.292 179.945 177.584 0.115 0.000 1.175 298 A CA 1.916 54.035 52.037 0.136 0.000 0.627 298 A CB -0.555 18.505 19.000 0.101 0.000 0.815 298 A HN 0.429 nan 8.150 nan 0.000 0.443 299 S N -1.377 114.413 115.700 0.150 0.000 2.496 299 S HA 0.007 4.461 4.470 -0.027 0.000 0.224 299 S C 0.932 175.557 174.600 0.040 0.000 0.996 299 S CA 0.512 58.786 58.200 0.123 0.000 0.927 299 S CB -0.328 63.004 63.200 0.220 0.000 0.774 299 S HN 0.542 nan 8.310 nan 0.000 0.524 300 R N 0.002 120.518 120.500 0.026 0.000 3.516 300 R HA -0.113 4.211 4.340 -0.027 0.000 0.271 300 R C -0.391 175.747 176.300 -0.269 0.000 1.098 300 R CA 0.541 56.441 56.100 -0.333 0.000 0.732 300 R CB -2.533 27.475 30.300 -0.487 0.000 1.152 300 R HN 0.431 nan 8.270 nan 0.000 0.455 301 V N 1.434 121.385 119.914 0.062 0.000 2.530 301 V HA 0.269 4.373 4.120 -0.027 0.000 0.282 301 V C -1.708 174.577 176.094 0.318 0.000 1.048 301 V CA -2.012 60.332 62.300 0.074 0.000 0.997 301 V CB 1.133 32.917 31.823 -0.066 0.000 0.987 301 V HN 0.028 nan 8.190 nan 0.000 0.477 302 P HA 0.245 nan 4.420 nan 0.000 0.266 302 P C -1.181 176.347 177.300 0.380 0.000 1.195 302 P CA 0.398 63.713 63.100 0.357 0.000 0.768 302 P CB 0.121 31.938 31.700 0.195 0.000 0.838 303 F N 0.786 120.921 119.950 0.308 0.000 2.641 303 F HA 0.706 5.218 4.527 -0.025 0.000 0.308 303 F C -1.625 174.187 175.800 0.020 0.000 1.105 303 F CA -1.354 56.720 58.000 0.124 0.000 0.964 303 F CB 1.067 40.099 39.000 0.053 0.000 1.294 303 F HN 0.031 nan 8.300 nan 0.000 0.442 304 I N 3.011 123.718 120.570 0.228 0.000 2.410 304 I HA 0.213 4.367 4.170 -0.027 0.000 0.286 304 I C -1.715 174.606 176.117 0.340 0.000 1.009 304 I CA -0.434 60.946 61.300 0.133 0.000 1.111 304 I CB 1.568 39.617 38.000 0.083 0.000 1.262 304 I HN 0.668 nan 8.210 nan 0.000 0.443 305 W N 7.029 128.434 121.300 0.175 0.000 2.318 305 W HA 0.393 5.044 4.660 -0.014 0.000 0.315 305 W C -0.136 176.392 176.519 0.016 0.000 1.033 305 W CA -1.376 56.010 57.345 0.067 0.000 1.275 305 W CB 1.718 31.285 29.460 0.179 0.000 1.250 305 W HN 0.351 nan 8.180 nan 0.000 0.421 306 S N 6.959 122.829 115.700 0.283 0.000 2.405 306 S HA 0.495 4.949 4.470 -0.027 0.000 0.291 306 S C -1.046 173.661 174.600 0.178 0.000 1.137 306 S CA -0.281 58.013 58.200 0.157 0.000 1.061 306 S CB -0.280 62.960 63.200 0.065 0.000 1.001 306 S HN 0.443 nan 8.310 nan 0.000 0.507 307 L N 6.053 127.268 121.223 -0.013 0.000 2.436 307 L HA 0.556 4.880 4.340 -0.027 0.000 0.268 307 L C -0.249 176.601 176.870 -0.034 0.000 0.974 307 L CA -0.485 54.284 54.840 -0.119 0.000 0.826 307 L CB 1.806 43.476 42.059 -0.649 0.000 1.291 307 L HN 0.573 nan 8.230 nan 0.000 0.406 308 R N 2.909 123.431 120.500 0.036 0.000 2.537 308 R HA -0.031 4.293 4.340 -0.027 0.000 0.281 308 R C 0.231 176.524 176.300 -0.012 0.000 0.988 308 R CA -0.073 56.052 56.100 0.043 0.000 1.077 308 R CB 0.392 30.727 30.300 0.059 0.000 0.932 308 R HN 0.694 nan 8.270 nan 0.000 0.409 309 D N 2.825 123.221 120.400 -0.006 0.000 2.133 309 D HA -0.170 4.454 4.640 -0.027 0.000 0.195 309 D C 1.479 177.750 176.300 -0.047 0.000 0.997 309 D CA 1.436 55.417 54.000 -0.032 0.000 0.840 309 D CB 0.274 41.063 40.800 -0.019 0.000 0.947 309 D HN 0.339 nan 8.370 nan 0.000 0.452 310 K N 0.398 120.778 120.400 -0.033 0.000 2.152 310 K HA -0.062 4.242 4.320 -0.027 0.000 0.206 310 K C 1.852 178.408 176.600 -0.074 0.000 1.048 310 K CA 0.890 57.149 56.287 -0.047 0.000 0.933 310 K CB -0.299 32.187 32.500 -0.023 0.000 0.721 310 K HN 0.107 nan 8.250 nan 0.000 0.447 311 A N 1.005 123.805 122.820 -0.032 0.000 2.167 311 A HA -0.056 4.248 4.320 -0.027 0.000 0.214 311 A C 1.959 179.498 177.584 -0.075 0.000 1.151 311 A CA 0.444 52.495 52.037 0.023 0.000 0.735 311 A CB -0.240 18.820 19.000 0.099 0.000 0.802 311 A HN 0.229 nan 8.150 nan 0.000 0.467 312 R N -0.124 120.301 120.500 -0.125 0.000 2.193 312 R HA -0.119 4.205 4.340 -0.027 0.000 0.229 312 R C 1.995 178.214 176.300 -0.135 0.000 1.110 312 R CA 1.362 57.380 56.100 -0.137 0.000 0.988 312 R CB -0.733 29.502 30.300 -0.108 0.000 0.871 312 R HN 0.589 nan 8.270 nan 0.000 0.458 313 V N -1.154 118.629 119.914 -0.219 0.000 2.568 313 V HA -0.225 3.878 4.120 -0.027 0.000 0.253 313 V C 1.518 177.462 176.094 -0.251 0.000 1.072 313 V CA 1.705 63.847 62.300 -0.263 0.000 1.084 313 V CB -0.606 31.009 31.823 -0.348 0.000 0.676 313 V HN 0.327 nan 8.190 nan 0.000 0.469 314 H N 0.180 119.230 119.070 -0.033 0.000 2.548 314 H HA 0.403 4.943 4.556 -0.026 0.000 0.265 314 H C 0.917 176.225 175.328 -0.033 0.000 0.969 314 H CA -0.059 55.975 56.048 -0.023 0.000 1.155 314 H CB -0.078 29.676 29.762 -0.013 0.000 1.394 314 H HN 0.422 nan 8.280 nan 0.000 0.570 315 L N 2.980 124.217 121.223 0.023 0.000 2.453 315 L HA 0.125 4.449 4.340 -0.027 0.000 0.272 315 L C -1.761 175.132 176.870 0.038 0.000 1.182 315 L CA -1.797 53.031 54.840 -0.021 0.000 0.858 315 L CB 0.067 42.116 42.059 -0.016 0.000 1.120 315 L HN -0.111 nan 8.230 nan 0.000 0.474 316 P HA -0.046 nan 4.420 nan 0.000 0.265 316 P C -0.472 176.905 177.300 0.128 0.000 1.187 316 P CA -0.201 62.949 63.100 0.084 0.000 0.766 316 P CB 0.405 32.160 31.700 0.091 0.000 0.820 317 E N 1.734 121.992 120.200 0.097 0.000 2.452 317 E HA 0.207 4.541 4.350 -0.027 0.000 0.261 317 E C 1.156 177.827 176.600 0.118 0.000 0.987 317 E CA 0.731 57.187 56.400 0.092 0.000 0.926 317 E CB -0.512 29.226 29.700 0.063 0.000 0.934 317 E HN 0.728 nan 8.360 nan 0.000 0.452 318 G N 3.892 112.760 108.800 0.113 0.000 2.225 318 G HA2 -0.384 3.560 3.960 -0.027 0.000 0.254 318 G HA3 -0.384 3.560 3.960 -0.027 0.000 0.254 318 G C 0.476 175.460 174.900 0.139 0.000 0.988 318 G CA 0.301 45.465 45.100 0.106 0.000 0.625 318 G HN 0.662 nan 8.290 nan 0.000 0.527 319 F N 1.466 121.452 119.950 0.061 0.000 2.069 319 F HA 0.099 4.609 4.527 -0.028 0.000 0.298 319 F C 2.533 178.380 175.800 0.078 0.000 1.113 319 F CA 2.401 60.451 58.000 0.083 0.000 1.214 319 F CB -0.435 38.624 39.000 0.098 0.000 0.978 319 F HN 0.202 nan 8.300 nan 0.000 0.474 320 L N -0.020 121.197 121.223 -0.011 0.000 2.042 320 L HA -0.228 4.096 4.340 -0.027 0.000 0.210 320 L C 2.329 179.096 176.870 -0.172 0.000 1.076 320 L CA 1.840 56.593 54.840 -0.145 0.000 0.749 320 L CB -0.774 41.289 42.059 0.006 0.000 0.893 320 L HN 0.166 nan 8.230 nan 0.000 0.432 321 E N 0.016 120.168 120.200 -0.081 0.000 2.107 321 E HA -0.168 4.166 4.350 -0.027 0.000 0.191 321 E C 2.116 178.671 176.600 -0.074 0.000 0.982 321 E CA 0.935 57.300 56.400 -0.059 0.000 0.809 321 E CB 0.004 29.698 29.700 -0.010 0.000 0.756 321 E HN 0.331 nan 8.360 nan 0.000 0.459 322 K N -0.123 120.231 120.400 -0.077 0.000 2.288 322 K HA -0.024 4.280 4.320 -0.027 0.000 0.201 322 K C 1.743 178.271 176.600 -0.119 0.000 1.048 322 K CA 1.522 57.789 56.287 -0.033 0.000 0.956 322 K CB 0.144 32.671 32.500 0.046 0.000 0.746 322 K HN 0.236 nan 8.250 nan 0.000 0.461 323 T N -2.544 111.782 114.554 -0.379 0.000 3.069 323 T HA 0.123 4.457 4.350 -0.027 0.000 0.252 323 T C 1.550 175.838 174.700 -0.687 0.000 1.053 323 T CA -0.330 61.306 62.100 -0.773 0.000 0.964 323 T CB 0.256 68.662 68.868 -0.771 0.000 1.005 323 T HN 0.032 nan 8.240 nan 0.000 0.532 324 R N 1.230 121.517 120.500 -0.354 0.000 2.117 324 R HA -0.058 4.266 4.340 -0.027 0.000 0.243 324 R C 2.483 178.703 176.300 -0.134 0.000 1.143 324 R CA 1.814 57.784 56.100 -0.217 0.000 0.968 324 R CB -0.866 29.365 30.300 -0.115 0.000 0.863 324 R HN 0.527 nan 8.270 nan 0.000 0.444 325 G N -1.010 107.745 108.800 -0.075 0.000 2.534 325 G HA2 -0.209 3.735 3.960 -0.027 0.000 0.217 325 G HA3 -0.209 3.735 3.960 -0.027 0.000 0.217 325 G C 0.718 175.733 174.900 0.190 0.000 1.128 325 G CA 0.889 46.040 45.100 0.086 0.000 0.784 325 G HN 0.659 nan 8.290 nan 0.000 0.542 326 Y N -2.873 117.444 120.300 0.028 0.000 2.729 326 Y HA 0.541 5.075 4.550 -0.028 0.000 0.266 326 Y C 0.529 176.433 175.900 0.006 0.000 1.064 326 Y CA -0.822 57.320 58.100 0.070 0.000 1.251 326 Y CB 0.163 38.647 38.460 0.040 0.000 1.379 326 Y HN 0.141 nan 8.280 nan 0.000 0.569 327 G N 1.250 109.705 108.800 -0.576 0.000 2.690 327 G HA2 0.643 4.587 3.960 -0.027 0.000 0.293 327 G HA3 0.643 4.587 3.960 -0.027 0.000 0.293 327 G C -1.682 172.577 174.900 -1.069 0.000 1.399 327 G CA -1.196 43.004 45.100 -1.500 0.000 0.890 327 G HN 0.071 nan 8.290 nan 0.000 0.485 328 M N 0.795 119.784 119.600 -1.018 0.000 2.465 328 M HA 0.514 4.978 4.480 -0.027 0.000 0.316 328 M C -0.900 175.324 176.300 -0.127 0.000 1.121 328 M CA -0.952 54.005 55.300 -0.572 0.000 0.934 328 M CB 2.787 34.937 32.600 -0.750 0.000 1.692 328 M HN 0.174 nan 8.290 nan 0.000 0.444 329 V N 3.611 123.514 119.914 -0.019 0.000 2.376 329 V HA 0.634 4.738 4.120 -0.027 0.000 0.287 329 V C -0.549 175.530 176.094 -0.026 0.000 1.015 329 V CA -0.763 61.581 62.300 0.074 0.000 0.834 329 V CB 1.529 33.400 31.823 0.080 0.000 1.001 329 V HN 0.705 nan 8.190 nan 0.000 0.428 330 V N 3.670 123.580 119.914 -0.007 0.000 2.876 330 V HA 0.674 4.778 4.120 -0.027 0.000 0.312 330 V C -2.055 174.069 176.094 0.050 0.000 1.085 330 V CA -1.889 60.416 62.300 0.007 0.000 0.945 330 V CB 2.367 34.195 31.823 0.008 0.000 1.017 330 V HN 0.505 nan 8.190 nan 0.000 0.428 331 P HA 0.044 nan 4.420 nan 0.000 0.225 331 P C 0.000 177.482 177.300 0.304 0.000 1.156 331 P CA 1.027 64.207 63.100 0.134 0.000 0.787 331 P CB 0.366 32.124 31.700 0.096 0.000 0.802 332 W N -0.065 121.255 121.300 0.033 0.000 3.439 332 W HA 0.558 5.204 4.660 -0.024 0.000 0.323 332 W C -1.900 174.656 176.519 0.062 0.000 1.174 332 W CA -0.756 56.623 57.345 0.057 0.000 1.224 332 W CB 2.421 31.906 29.460 0.042 0.000 1.348 332 W HN -0.246 nan 8.180 nan 0.000 0.498 333 A N 5.962 128.597 122.820 -0.309 0.000 2.356 333 A HA 0.771 5.075 4.320 -0.027 0.000 0.323 333 A C -2.468 174.879 177.584 -0.394 0.000 1.119 333 A CA -1.326 50.578 52.037 -0.222 0.000 0.790 333 A CB 1.497 20.464 19.000 -0.056 0.000 1.273 333 A HN 0.256 nan 8.150 nan 0.000 0.452 334 P HA 0.085 nan 4.420 nan 0.000 0.252 334 P C 0.177 177.313 177.300 -0.273 0.000 1.727 334 P CA 0.112 63.112 63.100 -0.167 0.000 1.134 334 P CB 0.700 32.366 31.700 -0.057 0.000 1.876 335 Q N 3.211 122.790 119.800 -0.369 0.000 2.050 335 Q HA -0.200 4.124 4.340 -0.027 0.000 0.202 335 Q C 1.900 177.655 176.000 -0.408 0.000 0.980 335 Q CA 2.065 57.574 55.803 -0.490 0.000 0.840 335 Q CB -0.374 28.145 28.738 -0.364 0.000 0.898 335 Q HN 0.376 nan 8.270 nan 0.000 0.424 336 A N 0.655 123.343 122.820 -0.221 0.000 1.902 336 A HA -0.235 4.069 4.320 -0.027 0.000 0.217 336 A C 1.794 179.288 177.584 -0.149 0.000 1.181 336 A CA 1.765 53.714 52.037 -0.148 0.000 0.623 336 A CB -0.552 18.419 19.000 -0.048 0.000 0.818 336 A HN 0.577 nan 8.150 nan 0.000 0.443 337 E N -0.566 119.554 120.200 -0.133 0.000 2.106 337 E HA -0.086 4.248 4.350 -0.027 0.000 0.192 337 E C 1.970 178.501 176.600 -0.115 0.000 0.984 337 E CA 1.060 57.406 56.400 -0.090 0.000 0.806 337 E CB -0.199 29.470 29.700 -0.051 0.000 0.750 337 E HN 0.383 nan 8.360 nan 0.000 0.458 338 V N 1.366 121.134 119.914 -0.242 0.000 2.295 338 V HA -0.260 3.844 4.120 -0.027 0.000 0.246 338 V C 2.251 178.176 176.094 -0.281 0.000 1.049 338 V CA 1.531 63.646 62.300 -0.308 0.000 1.024 338 V CB -0.378 31.082 31.823 -0.606 0.000 0.648 338 V HN 0.282 nan 8.190 nan 0.000 0.447 339 L N 0.080 121.072 121.223 -0.386 0.000 2.191 339 L HA -0.106 4.218 4.340 -0.027 0.000 0.212 339 L C 2.433 179.229 176.870 -0.123 0.000 1.103 339 L CA 1.350 56.019 54.840 -0.284 0.000 0.769 339 L CB -0.604 41.252 42.059 -0.339 0.000 0.908 339 L HN 0.360 nan 8.230 nan 0.000 0.438 340 A N -2.205 120.559 122.820 -0.094 0.000 2.208 340 A HA -0.080 4.224 4.320 -0.027 0.000 0.209 340 A C 0.968 178.531 177.584 -0.034 0.000 1.161 340 A CA 0.085 52.090 52.037 -0.053 0.000 0.782 340 A CB -0.579 18.390 19.000 -0.052 0.000 0.816 340 A HN 0.299 nan 8.150 nan 0.000 0.477 341 H N 1.225 120.244 119.070 -0.086 0.000 2.722 341 H HA 0.083 4.622 4.556 -0.028 0.000 0.328 341 H C 1.123 176.425 175.328 -0.043 0.000 1.067 341 H CA 0.443 56.456 56.048 -0.058 0.000 1.447 341 H CB 0.966 30.696 29.762 -0.054 0.000 1.469 341 H HN 0.541 nan 8.280 nan 0.000 0.544 342 E N 3.801 123.894 120.200 -0.179 0.000 2.209 342 E HA -0.172 4.162 4.350 -0.027 0.000 0.196 342 E C 1.524 178.196 176.600 0.119 0.000 0.993 342 E CA 1.142 57.519 56.400 -0.038 0.000 0.819 342 E CB -0.343 29.283 29.700 -0.124 0.000 0.745 342 E HN 0.573 nan 8.360 nan 0.000 0.477 343 A N 1.562 124.603 122.820 0.368 0.000 2.119 343 A HA 0.079 4.383 4.320 -0.027 0.000 0.217 343 A C 1.395 179.045 177.584 0.110 0.000 1.153 343 A CA 0.329 52.480 52.037 0.190 0.000 0.692 343 A CB -0.086 18.978 19.000 0.107 0.000 0.799 343 A HN 0.109 nan 8.150 nan 0.000 0.458 344 V N -0.110 119.874 119.914 0.117 0.000 2.488 344 V HA 0.446 4.550 4.120 -0.027 0.000 0.277 344 V C 1.428 177.560 176.094 0.063 0.000 1.046 344 V CA 0.575 62.920 62.300 0.074 0.000 0.986 344 V CB 1.187 33.031 31.823 0.034 0.000 0.989 344 V HN 0.360 nan 8.190 nan 0.000 0.475 345 G N 2.986 111.825 108.800 0.064 0.000 2.944 345 G HA2 0.610 4.554 3.960 -0.027 0.000 0.220 345 G HA3 0.610 4.554 3.960 -0.027 0.000 0.220 345 G C 0.216 175.163 174.900 0.079 0.000 1.100 345 G CA 0.724 45.859 45.100 0.059 0.000 0.780 345 G HN 1.010 nan 8.290 nan 0.000 0.539 346 A N -0.435 122.447 122.820 0.104 0.000 2.612 346 A HA 0.656 4.960 4.320 -0.027 0.000 0.293 346 A C -2.290 175.444 177.584 0.250 0.000 1.075 346 A CA -0.595 51.533 52.037 0.152 0.000 0.680 346 A CB 1.711 20.792 19.000 0.136 0.000 1.279 346 A HN 0.413 nan 8.150 nan 0.000 0.411 347 F N 2.286 122.276 119.950 0.066 0.000 2.577 347 F HA 0.550 5.062 4.527 -0.025 0.000 0.344 347 F C -0.934 174.880 175.800 0.023 0.000 1.145 347 F CA -1.526 56.518 58.000 0.073 0.000 0.996 347 F CB 1.384 40.444 39.000 0.100 0.000 1.248 347 F HN 0.325 nan 8.300 nan 0.000 0.447 348 V N 5.515 125.529 119.914 0.166 0.000 2.427 348 V HA 0.431 4.535 4.120 -0.027 0.000 0.268 348 V C 0.314 176.193 176.094 -0.358 0.000 1.046 348 V CA 0.110 62.376 62.300 -0.057 0.000 0.970 348 V CB 0.764 32.556 31.823 -0.051 0.000 1.001 348 V HN 0.843 nan 8.190 nan 0.000 0.476 349 T N 2.649 116.977 114.554 -0.376 0.000 2.900 349 T HA 0.354 4.688 4.350 -0.027 0.000 0.303 349 T C 0.656 175.436 174.700 0.133 0.000 1.142 349 T CA -0.551 61.251 62.100 -0.496 0.000 1.007 349 T CB 1.217 69.354 68.868 -1.219 0.000 1.156 349 T HN 0.878 nan 8.240 nan 0.000 0.490 350 H N 1.168 120.359 119.070 0.203 0.000 2.556 350 H HA 0.156 4.695 4.556 -0.028 0.000 0.268 350 H C 1.111 176.490 175.328 0.086 0.000 0.996 350 H CA 0.258 56.511 56.048 0.342 0.000 1.157 350 H CB -1.487 28.607 29.762 0.553 0.000 1.355 350 H HN 0.697 nan 8.280 nan 0.000 0.597 351 C N 0.361 119.535 119.300 -0.209 0.000 4.549 351 C HA -0.069 4.375 4.460 -0.027 0.000 0.290 351 C C 1.523 176.298 174.990 -0.358 0.000 1.328 351 C CA 0.142 59.004 59.018 -0.261 0.000 2.002 351 C CB -2.510 25.139 27.740 -0.152 0.000 1.238 351 C HN 0.995 nan 8.230 nan 0.000 0.780 352 G N -0.831 107.547 108.800 -0.704 0.000 2.491 352 G HA2 0.252 4.196 3.960 -0.027 0.000 0.238 352 G HA3 0.252 4.196 3.960 -0.027 0.000 0.238 352 G C 0.851 175.778 174.900 0.044 0.000 1.277 352 G CA 0.394 45.286 45.100 -0.346 0.000 0.851 352 G HN 0.676 nan 8.290 nan 0.000 0.573 353 W N 2.036 123.322 121.300 -0.024 0.000 2.335 353 W HA -0.196 4.448 4.660 -0.027 0.000 0.311 353 W C 1.899 178.540 176.519 0.203 0.000 1.213 353 W CA 1.619 59.022 57.345 0.097 0.000 1.274 353 W CB 0.075 29.582 29.460 0.078 0.000 1.148 353 W HN 0.766 nan 8.180 nan 0.000 0.498 354 N N -0.104 118.744 118.700 0.246 0.000 2.142 354 N HA -0.159 4.565 4.740 -0.027 0.000 0.186 354 N C 1.907 177.510 175.510 0.155 0.000 1.023 354 N CA 2.123 55.287 53.050 0.189 0.000 0.852 354 N CB -0.809 37.814 38.487 0.226 0.000 0.998 354 N HN -0.143 nan 8.380 nan 0.000 0.424 355 S N 0.887 116.708 115.700 0.202 0.000 2.359 355 S HA -0.121 4.333 4.470 -0.027 0.000 0.224 355 S C 1.846 176.561 174.600 0.193 0.000 1.035 355 S CA 0.753 59.127 58.200 0.291 0.000 1.018 355 S CB -0.428 63.043 63.200 0.451 0.000 0.876 355 S HN 0.317 nan 8.310 nan 0.000 0.448 356 L N -0.261 120.930 121.223 -0.054 0.000 1.989 356 L HA -0.170 4.154 4.340 -0.027 0.000 0.211 356 L C 2.060 178.628 176.870 -0.502 0.000 1.071 356 L CA 1.732 56.363 54.840 -0.350 0.000 0.749 356 L CB -0.294 41.391 42.059 -0.622 0.000 0.890 356 L HN 0.435 nan 8.230 nan 0.000 0.431 357 W N 0.396 121.554 121.300 -0.236 0.000 2.425 357 W HA -0.109 4.540 4.660 -0.019 0.000 0.277 357 W C 2.465 178.940 176.519 -0.073 0.000 1.231 357 W CA 0.901 58.129 57.345 -0.196 0.000 1.248 357 W CB -0.105 29.177 29.460 -0.297 0.000 1.117 357 W HN 0.216 nan 8.180 nan 0.000 0.568 358 E N -0.434 119.830 120.200 0.106 0.000 2.106 358 E HA -0.183 4.151 4.350 -0.027 0.000 0.192 358 E C 2.182 178.791 176.600 0.015 0.000 0.984 358 E CA 1.385 57.820 56.400 0.058 0.000 0.806 358 E CB -0.419 29.300 29.700 0.032 0.000 0.750 358 E HN 0.047 nan 8.360 nan 0.000 0.458 359 S N 0.041 115.765 115.700 0.041 0.000 2.371 359 S HA -0.102 4.352 4.470 -0.027 0.000 0.224 359 S C 2.097 176.695 174.600 -0.004 0.000 1.029 359 S CA 0.578 58.815 58.200 0.061 0.000 0.978 359 S CB -0.019 63.329 63.200 0.246 0.000 0.833 359 S HN 0.054 nan 8.310 nan 0.000 0.466 360 V N 2.215 122.085 119.914 -0.073 0.000 2.332 360 V HA -0.202 3.902 4.120 -0.027 0.000 0.248 360 V C 2.751 178.865 176.094 0.033 0.000 1.055 360 V CA 1.844 64.112 62.300 -0.053 0.000 1.038 360 V CB -1.292 30.456 31.823 -0.125 0.000 0.651 360 V HN 0.577 nan 8.190 nan 0.000 0.450 361 A N 0.471 123.328 122.820 0.062 0.000 1.908 361 A HA -0.126 4.178 4.320 -0.027 0.000 0.218 361 A C 2.311 179.901 177.584 0.010 0.000 1.181 361 A CA 2.006 54.071 52.037 0.047 0.000 0.627 361 A CB -1.065 17.964 19.000 0.048 0.000 0.818 361 A HN 0.574 nan 8.150 nan 0.000 0.445 362 G N -1.912 106.885 108.800 -0.006 0.000 2.813 362 G HA2 0.343 4.287 3.960 -0.027 0.000 0.209 362 G HA3 0.343 4.287 3.960 -0.027 0.000 0.209 362 G C 1.159 176.053 174.900 -0.009 0.000 1.150 362 G CA 0.554 45.642 45.100 -0.021 0.000 0.785 362 G HN 1.667 nan 8.290 nan 0.000 0.535 363 G N -0.902 107.898 108.800 0.001 0.000 2.246 363 G HA2 -0.190 3.754 3.960 -0.027 0.000 0.273 363 G HA3 -0.190 3.754 3.960 -0.027 0.000 0.273 363 G C -0.023 174.886 174.900 0.015 0.000 1.055 363 G CA 0.215 45.318 45.100 0.005 0.000 0.851 363 G HN 0.745 nan 8.290 nan 0.000 0.500 364 V N 1.029 120.959 119.914 0.027 0.000 2.370 364 V HA 0.425 4.529 4.120 -0.027 0.000 0.283 364 V C -1.628 174.513 176.094 0.078 0.000 1.023 364 V CA -1.813 60.523 62.300 0.060 0.000 0.857 364 V CB 1.922 33.790 31.823 0.074 0.000 0.985 364 V HN 0.127 nan 8.190 nan 0.000 0.443 365 P HA 0.123 nan 4.420 nan 0.000 0.268 365 P C -0.783 176.567 177.300 0.083 0.000 1.205 365 P CA -0.134 62.999 63.100 0.055 0.000 0.771 365 P CB 0.391 32.120 31.700 0.049 0.000 0.858 366 L N 3.839 125.078 121.223 0.026 0.000 2.334 366 L HA 0.411 4.735 4.340 -0.027 0.000 0.277 366 L C 0.491 177.355 176.870 -0.011 0.000 1.075 366 L CA -0.185 54.643 54.840 -0.020 0.000 0.804 366 L CB 0.356 42.346 42.059 -0.116 0.000 1.174 366 L HN 0.347 nan 8.230 nan 0.000 0.438 367 I N 2.286 122.847 120.570 -0.014 0.000 2.359 367 I HA 0.264 4.418 4.170 -0.027 0.000 0.284 367 I C -0.389 175.733 176.117 0.008 0.000 1.018 367 I CA -0.247 61.066 61.300 0.022 0.000 1.173 367 I CB 1.363 39.415 38.000 0.086 0.000 1.326 367 I HN 0.491 nan 8.210 nan 0.000 0.462 368 C N 5.086 124.384 119.300 -0.004 0.000 2.369 368 C HA 0.558 5.002 4.460 -0.027 0.000 0.358 368 C C 0.714 175.703 174.990 -0.002 0.000 1.274 368 C CA -0.448 58.555 59.018 -0.026 0.000 1.935 368 C CB 0.478 28.181 27.740 -0.062 0.000 2.431 368 C HN 0.667 nan 8.230 nan 0.000 0.545 369 R N 4.120 124.617 120.500 -0.005 0.000 2.644 369 R HA 0.346 4.670 4.340 -0.027 0.000 0.271 369 R C -2.892 173.189 176.300 -0.364 0.000 1.687 369 R CA -2.179 53.787 56.100 -0.225 0.000 1.655 369 R CB 0.073 30.201 30.300 -0.288 0.000 1.285 369 R HN 0.466 nan 8.270 nan 0.000 0.643 370 P HA 0.148 nan 4.420 nan 0.000 0.271 370 P C -0.166 176.903 177.300 -0.384 0.000 1.218 370 P CA -0.045 62.934 63.100 -0.201 0.000 0.780 370 P CB 0.655 32.285 31.700 -0.117 0.000 0.901 371 F N 1.148 121.091 119.950 -0.011 0.000 2.537 371 F HA 0.273 4.788 4.527 -0.021 0.000 0.277 371 F C 0.965 176.900 175.800 0.226 0.000 1.013 371 F CA 0.612 58.672 58.000 0.100 0.000 1.332 371 F CB 0.047 39.190 39.000 0.238 0.000 1.108 371 F HN 0.274 nan 8.300 nan 0.000 0.679 372 F N -2.057 118.087 119.950 0.323 0.000 2.779 372 F HA 0.716 5.228 4.527 -0.025 0.000 0.316 372 F C 0.420 176.373 175.800 0.255 0.000 1.164 372 F CA -1.214 56.948 58.000 0.270 0.000 0.924 372 F CB 0.459 39.621 39.000 0.270 0.000 1.348 372 F HN 0.228 nan 8.300 nan 0.000 0.467 373 G N 1.584 110.724 108.800 0.566 0.000 2.591 373 G HA2 -0.349 3.595 3.960 -0.027 0.000 0.298 373 G HA3 -0.349 3.595 3.960 -0.027 0.000 0.298 373 G C 0.374 175.409 174.900 0.225 0.000 1.195 373 G CA 0.839 46.203 45.100 0.439 0.000 0.989 373 G HN 1.547 nan 8.290 nan 0.000 0.551 374 D N 0.842 121.346 120.400 0.173 0.000 2.340 374 D HA 0.068 4.692 4.640 -0.027 0.000 0.220 374 D C 2.027 178.363 176.300 0.059 0.000 1.039 374 D CA 1.148 55.224 54.000 0.126 0.000 0.866 374 D CB -0.247 40.646 40.800 0.156 0.000 0.913 374 D HN 0.707 nan 8.370 nan 0.000 0.523 375 Q N 0.315 120.106 119.800 -0.015 0.000 2.167 375 Q HA 0.009 4.333 4.340 -0.027 0.000 0.202 375 Q C 2.118 178.105 176.000 -0.022 0.000 0.970 375 Q CA 1.011 56.771 55.803 -0.072 0.000 0.855 375 Q CB 0.043 28.676 28.738 -0.173 0.000 0.911 375 Q HN 0.266 nan 8.270 nan 0.000 0.438 376 R N 0.168 120.677 120.500 0.014 0.000 2.092 376 R HA -0.065 4.259 4.340 -0.027 0.000 0.231 376 R C 2.227 178.545 176.300 0.030 0.000 1.119 376 R CA 0.950 57.062 56.100 0.021 0.000 0.970 376 R CB -0.241 30.093 30.300 0.057 0.000 0.864 376 R HN 0.231 nan 8.270 nan 0.000 0.440 377 L N 0.810 122.061 121.223 0.048 0.000 2.046 377 L HA -0.201 4.123 4.340 -0.027 0.000 0.208 377 L C 1.846 178.758 176.870 0.069 0.000 1.077 377 L CA 1.093 55.963 54.840 0.050 0.000 0.747 377 L CB -0.519 41.569 42.059 0.049 0.000 0.896 377 L HN 0.183 nan 8.230 nan 0.000 0.432 378 N N 0.469 119.222 118.700 0.089 0.000 2.142 378 N HA -0.122 4.602 4.740 -0.027 0.000 0.186 378 N C 1.896 177.426 175.510 0.034 0.000 1.023 378 N CA 1.506 54.628 53.050 0.119 0.000 0.852 378 N CB -0.755 37.819 38.487 0.145 0.000 0.998 378 N HN 0.335 nan 8.380 nan 0.000 0.424 379 G N 0.969 109.767 108.800 -0.004 0.000 2.440 379 G HA2 -0.308 3.636 3.960 -0.027 0.000 0.218 379 G HA3 -0.308 3.636 3.960 -0.027 0.000 0.218 379 G C 1.799 176.689 174.900 -0.017 0.000 1.154 379 G CA 0.948 46.029 45.100 -0.031 0.000 0.767 379 G HN 0.250 nan 8.290 nan 0.000 0.552 380 R N 0.119 120.619 120.500 0.000 0.000 2.083 380 R HA 0.033 4.357 4.340 -0.027 0.000 0.237 380 R C 2.518 178.824 176.300 0.010 0.000 1.137 380 R CA 1.884 57.986 56.100 0.003 0.000 0.951 380 R CB -0.688 29.618 30.300 0.010 0.000 0.851 380 R HN 0.409 nan 8.270 nan 0.000 0.434 381 M N -0.530 119.089 119.600 0.031 0.000 2.065 381 M HA -0.193 4.271 4.480 -0.027 0.000 0.259 381 M C 1.817 178.125 176.300 0.014 0.000 1.069 381 M CA 1.990 57.317 55.300 0.045 0.000 1.110 381 M CB -0.136 32.527 32.600 0.106 0.000 1.328 381 M HN 0.133 nan 8.290 nan 0.000 0.405 382 V N 0.764 120.669 119.914 -0.016 0.000 2.287 382 V HA -0.290 3.814 4.120 -0.027 0.000 0.248 382 V C 2.014 178.087 176.094 -0.034 0.000 1.053 382 V CA 2.338 64.606 62.300 -0.053 0.000 1.027 382 V CB -0.709 31.062 31.823 -0.087 0.000 0.646 382 V HN 0.559 nan 8.190 nan 0.000 0.447 383 E N -0.636 119.549 120.200 -0.025 0.000 2.060 383 E HA -0.131 4.203 4.350 -0.027 0.000 0.189 383 E C 1.698 178.292 176.600 -0.012 0.000 0.974 383 E CA 1.294 57.681 56.400 -0.021 0.000 0.808 383 E CB -0.037 29.649 29.700 -0.023 0.000 0.768 383 E HN 0.524 nan 8.360 nan 0.000 0.453 384 D N -0.748 119.647 120.400 -0.007 0.000 2.388 384 D HA 0.036 4.660 4.640 -0.027 0.000 0.208 384 D C 1.610 177.913 176.300 0.004 0.000 1.035 384 D CA 0.328 54.326 54.000 -0.004 0.000 0.875 384 D CB 0.884 41.680 40.800 -0.007 0.000 0.984 384 D HN -0.008 nan 8.370 nan 0.000 0.508 385 V N 0.304 120.224 119.914 0.010 0.000 2.602 385 V HA 0.067 4.171 4.120 -0.027 0.000 0.235 385 V C 2.262 178.373 176.094 0.029 0.000 1.087 385 V CA 0.447 62.760 62.300 0.021 0.000 1.117 385 V CB -0.126 31.716 31.823 0.032 0.000 0.820 385 V HN 0.037 nan 8.190 nan 0.000 0.490 386 L N -0.437 120.803 121.223 0.028 0.000 2.341 386 L HA 0.158 4.482 4.340 -0.027 0.000 0.214 386 L C 0.628 177.507 176.870 0.016 0.000 1.115 386 L CA 0.522 55.381 54.840 0.032 0.000 0.820 386 L CB -0.450 41.624 42.059 0.025 0.000 0.944 386 L HN 0.431 nan 8.230 nan 0.000 0.452 387 E N 0.681 120.883 120.200 0.003 0.000 2.252 387 E HA -0.237 4.097 4.350 -0.027 0.000 0.218 387 E C 0.610 177.206 176.600 -0.007 0.000 1.253 387 E CA 0.549 56.948 56.400 -0.002 0.000 0.705 387 E CB -1.393 28.311 29.700 0.006 0.000 1.172 387 E HN 0.709 nan 8.360 nan 0.000 0.369 388 I N -3.773 116.782 120.570 -0.024 0.000 4.154 388 I HA 0.451 4.605 4.170 -0.027 0.000 0.334 388 I C 0.849 176.946 176.117 -0.034 0.000 1.371 388 I CA -0.009 61.271 61.300 -0.033 0.000 1.110 388 I CB 1.101 39.061 38.000 -0.067 0.000 1.085 388 I HN 0.133 nan 8.210 nan 0.000 0.398 389 G N 1.054 109.836 108.800 -0.030 0.000 2.600 389 G HA2 0.580 4.524 3.960 -0.027 0.000 0.293 389 G HA3 0.580 4.524 3.960 -0.027 0.000 0.293 389 G C -1.336 173.553 174.900 -0.018 0.000 1.408 389 G CA -0.114 44.972 45.100 -0.024 0.000 0.782 389 G HN 0.213 nan 8.290 nan 0.000 0.482 390 V N -2.078 117.829 119.914 -0.012 0.000 3.046 390 V HA 0.907 5.011 4.120 -0.027 0.000 0.316 390 V C -0.000 176.084 176.094 -0.017 0.000 1.104 390 V CA -1.260 61.033 62.300 -0.012 0.000 1.006 390 V CB 1.695 33.515 31.823 -0.004 0.000 1.058 390 V HN 1.171 nan 8.190 nan 0.000 0.440 391 R N 2.766 123.253 120.500 -0.022 0.000 2.500 391 R HA 0.729 5.053 4.340 -0.027 0.000 0.275 391 R C -0.208 176.079 176.300 -0.023 0.000 1.051 391 R CA -0.649 55.435 56.100 -0.027 0.000 1.088 391 R CB 1.208 31.488 30.300 -0.034 0.000 1.063 391 R HN 0.914 nan 8.270 nan 0.000 0.511 392 I N -0.842 119.717 120.570 -0.019 0.000 2.342 392 I HA 0.218 4.372 4.170 -0.027 0.000 0.291 392 I C -0.146 175.951 176.117 -0.034 0.000 1.010 392 I CA -0.921 60.373 61.300 -0.010 0.000 1.308 392 I CB 1.220 39.252 38.000 0.054 0.000 1.400 392 I HN 0.449 nan 8.210 nan 0.000 0.488 393 E N 5.467 125.645 120.200 -0.037 0.000 2.752 393 E HA -0.000 4.334 4.350 -0.027 0.000 0.241 393 E C 1.227 177.799 176.600 -0.047 0.000 1.016 393 E CA 1.311 57.686 56.400 -0.041 0.000 0.952 393 E CB 0.294 29.970 29.700 -0.040 0.000 0.921 393 E HN 1.097 nan 8.360 nan 0.000 0.515 394 G N 3.012 111.779 108.800 -0.055 0.000 2.176 394 G HA2 -0.319 3.625 3.960 -0.027 0.000 0.253 394 G HA3 -0.319 3.625 3.960 -0.027 0.000 0.253 394 G C 0.967 175.813 174.900 -0.091 0.000 0.979 394 G CA 0.309 45.370 45.100 -0.065 0.000 0.641 394 G HN 1.227 nan 8.290 nan 0.000 0.530 395 G N -2.157 106.580 108.800 -0.105 0.000 2.189 395 G HA2 0.090 4.034 3.960 -0.027 0.000 0.267 395 G HA3 0.090 4.034 3.960 -0.027 0.000 0.267 395 G C 0.890 175.642 174.900 -0.247 0.000 0.975 395 G CA 1.773 46.775 45.100 -0.164 0.000 0.644 395 G HN 2.378 nan 8.290 nan 0.000 0.537 396 V N -3.091 116.710 119.914 -0.188 0.000 2.823 396 V HA 0.861 4.965 4.120 -0.027 0.000 0.312 396 V C 0.340 176.393 176.094 -0.069 0.000 1.072 396 V CA -2.176 59.986 62.300 -0.230 0.000 0.937 396 V CB 1.523 33.254 31.823 -0.154 0.000 1.013 396 V HN 0.265 nan 8.190 nan 0.000 0.430 397 F N 2.963 122.845 119.950 -0.113 0.000 2.578 397 F HA 0.563 5.068 4.527 -0.037 0.000 0.381 397 F C 1.147 176.893 175.800 -0.091 0.000 1.069 397 F CA 0.215 58.154 58.000 -0.101 0.000 1.231 397 F CB 0.499 39.448 39.000 -0.085 0.000 1.086 397 F HN 0.921 nan 8.300 nan 0.000 0.564 398 T N 0.039 114.652 114.554 0.099 0.000 2.906 398 T HA 0.329 4.663 4.350 -0.027 0.000 0.295 398 T C 0.895 175.558 174.700 -0.061 0.000 1.075 398 T CA -1.065 61.041 62.100 0.010 0.000 1.005 398 T CB 2.340 71.201 68.868 -0.011 0.000 1.136 398 T HN 0.597 nan 8.240 nan 0.000 0.498 399 K N 0.792 121.157 120.400 -0.057 0.000 2.009 399 K HA -0.167 4.137 4.320 -0.027 0.000 0.210 399 K C 2.314 178.849 176.600 -0.109 0.000 1.049 399 K CA 2.192 58.430 56.287 -0.081 0.000 0.929 399 K CB -0.584 31.896 32.500 -0.033 0.000 0.714 399 K HN 0.698 nan 8.250 nan 0.000 0.440 400 S N -0.406 115.247 115.700 -0.078 0.000 2.368 400 S HA -0.056 4.398 4.470 -0.027 0.000 0.224 400 S C 2.227 176.754 174.600 -0.121 0.000 1.029 400 S CA 1.077 59.228 58.200 -0.082 0.000 0.988 400 S CB -0.778 62.391 63.200 -0.051 0.000 0.838 400 S HN 0.482 nan 8.310 nan 0.000 0.462 401 G N 1.781 110.511 108.800 -0.117 0.000 2.418 401 G HA2 -0.044 3.900 3.960 -0.027 0.000 0.217 401 G HA3 -0.044 3.900 3.960 -0.027 0.000 0.217 401 G C 1.501 176.259 174.900 -0.236 0.000 1.158 401 G CA 0.942 45.965 45.100 -0.128 0.000 0.771 401 G HN 0.501 nan 8.290 nan 0.000 0.545 402 L N -0.306 120.706 121.223 -0.352 0.000 2.056 402 L HA 0.013 4.337 4.340 -0.027 0.000 0.207 402 L C 3.103 179.336 176.870 -1.061 0.000 1.078 402 L CA 0.881 55.283 54.840 -0.730 0.000 0.749 402 L CB -0.284 41.304 42.059 -0.784 0.000 0.901 402 L HN 0.220 nan 8.230 nan 0.000 0.433 403 M N -1.178 118.055 119.600 -0.612 0.000 2.149 403 M HA -0.252 4.212 4.480 -0.027 0.000 0.261 403 M C 2.579 178.758 176.300 -0.203 0.000 1.064 403 M CA 1.821 56.919 55.300 -0.336 0.000 1.102 403 M CB -0.427 32.106 32.600 -0.111 0.000 1.369 403 M HN 0.203 nan 8.290 nan 0.000 0.408 404 S N -0.288 115.300 115.700 -0.188 0.000 2.356 404 S HA -0.162 4.292 4.470 -0.027 0.000 0.223 404 S C 1.967 176.512 174.600 -0.091 0.000 1.032 404 S CA 1.400 59.538 58.200 -0.103 0.000 1.005 404 S CB -0.313 62.835 63.200 -0.087 0.000 0.867 404 S HN 0.599 nan 8.310 nan 0.000 0.449 405 C N 1.303 120.501 119.300 -0.170 0.000 2.413 405 C HA -0.018 4.426 4.460 -0.027 0.000 0.276 405 C C 2.297 177.322 174.990 0.059 0.000 1.236 405 C CA 0.536 59.501 59.018 -0.088 0.000 1.735 405 C CB -1.917 25.744 27.740 -0.133 0.000 2.031 405 C HN 0.627 nan 8.230 nan 0.000 0.474 406 F N 1.451 121.390 119.950 -0.019 0.000 2.095 406 F HA -0.125 4.399 4.527 -0.006 0.000 0.298 406 F C 2.139 177.941 175.800 0.003 0.000 1.104 406 F CA 1.818 59.815 58.000 -0.006 0.000 1.232 406 F CB -1.533 37.462 39.000 -0.008 0.000 0.987 406 F HN 0.260 nan 8.300 nan 0.000 0.475 407 D N -0.259 120.248 120.400 0.178 0.000 2.084 407 D HA -0.172 4.452 4.640 -0.027 0.000 0.194 407 D C 2.128 178.470 176.300 0.069 0.000 0.990 407 D CA 1.485 55.544 54.000 0.099 0.000 0.826 407 D CB -0.204 40.630 40.800 0.057 0.000 0.971 407 D HN 0.306 nan 8.370 nan 0.000 0.453 408 Q N -0.363 119.468 119.800 0.052 0.000 2.062 408 Q HA -0.185 4.139 4.340 -0.027 0.000 0.209 408 Q C 2.472 178.500 176.000 0.048 0.000 0.996 408 Q CA 1.645 57.471 55.803 0.037 0.000 0.859 408 Q CB -0.156 28.595 28.738 0.022 0.000 0.920 408 Q HN 0.463 nan 8.270 nan 0.000 0.415 409 I N -0.234 120.379 120.570 0.072 0.000 2.277 409 I HA -0.207 3.947 4.170 -0.027 0.000 0.243 409 I C 1.994 178.150 176.117 0.065 0.000 1.094 409 I CA 0.849 62.192 61.300 0.071 0.000 1.393 409 I CB -0.061 37.997 38.000 0.096 0.000 1.078 409 I HN 0.169 nan 8.210 nan 0.000 0.417 410 L N -0.674 120.595 121.223 0.077 0.000 2.270 410 L HA 0.015 4.339 4.340 -0.027 0.000 0.210 410 L C 1.886 178.782 176.870 0.042 0.000 1.104 410 L CA 0.796 55.670 54.840 0.057 0.000 0.804 410 L CB -0.136 41.957 42.059 0.057 0.000 0.937 410 L HN 0.101 nan 8.230 nan 0.000 0.450 411 S N -2.428 113.298 115.700 0.044 0.000 2.649 411 S HA 0.201 4.655 4.470 -0.027 0.000 0.246 411 S C 0.491 175.105 174.600 0.025 0.000 1.057 411 S CA -0.378 57.840 58.200 0.031 0.000 1.051 411 S CB 0.792 64.011 63.200 0.033 0.000 1.018 411 S HN 0.169 nan 8.310 nan 0.000 0.569 412 Q N 0.769 120.585 119.800 0.027 0.000 2.333 412 Q HA 0.412 4.736 4.340 -0.027 0.000 0.266 412 Q C 0.747 176.758 176.000 0.018 0.000 1.053 412 Q CA -0.426 55.389 55.803 0.020 0.000 0.890 412 Q CB 0.855 29.604 28.738 0.019 0.000 1.337 412 Q HN 0.057 nan 8.270 nan 0.000 0.474 413 E N 1.349 121.557 120.200 0.013 0.000 2.118 413 E HA -0.239 4.095 4.350 -0.027 0.000 0.195 413 E C 1.472 178.080 176.600 0.013 0.000 0.992 413 E CA 1.785 58.192 56.400 0.012 0.000 0.804 413 E CB 0.135 29.840 29.700 0.009 0.000 0.741 413 E HN 0.465 nan 8.360 nan 0.000 0.458 414 K N -0.104 120.304 120.400 0.013 0.000 2.089 414 K HA -0.126 4.178 4.320 -0.027 0.000 0.210 414 K C 2.013 178.623 176.600 0.018 0.000 1.048 414 K CA 2.021 58.316 56.287 0.014 0.000 0.926 414 K CB -1.098 31.410 32.500 0.013 0.000 0.714 414 K HN 0.250 nan 8.250 nan 0.000 0.448 415 G N 0.330 109.144 108.800 0.023 0.000 2.408 415 G HA2 -0.238 3.706 3.960 -0.027 0.000 0.217 415 G HA3 -0.238 3.706 3.960 -0.027 0.000 0.217 415 G C 1.236 176.149 174.900 0.022 0.000 1.150 415 G CA 0.932 46.048 45.100 0.028 0.000 0.776 415 G HN 0.388 nan 8.290 nan 0.000 0.542 416 K N 0.500 120.911 120.400 0.018 0.000 2.057 416 K HA -0.044 4.260 4.320 -0.027 0.000 0.207 416 K C 2.497 179.105 176.600 0.013 0.000 1.049 416 K CA 1.197 57.493 56.287 0.014 0.000 0.931 416 K CB -0.130 32.377 32.500 0.012 0.000 0.714 416 K HN 0.199 nan 8.250 nan 0.000 0.440 417 K N 0.920 121.328 120.400 0.013 0.000 2.057 417 K HA -0.075 4.229 4.320 -0.027 0.000 0.207 417 K C 2.159 178.767 176.600 0.013 0.000 1.049 417 K CA 1.119 57.413 56.287 0.012 0.000 0.931 417 K CB -0.166 32.340 32.500 0.011 0.000 0.714 417 K HN 0.075 nan 8.250 nan 0.000 0.440 418 L N 0.592 121.823 121.223 0.013 0.000 2.046 418 L HA -0.188 4.136 4.340 -0.027 0.000 0.208 418 L C 2.518 179.395 176.870 0.012 0.000 1.077 418 L CA 1.313 56.160 54.840 0.012 0.000 0.747 418 L CB -0.462 41.605 42.059 0.014 0.000 0.896 418 L HN 0.158 nan 8.230 nan 0.000 0.432 419 R N -0.019 120.490 120.500 0.015 0.000 2.091 419 R HA -0.164 4.160 4.340 -0.027 0.000 0.238 419 R C 2.217 178.524 176.300 0.013 0.000 1.136 419 R CA 1.340 57.449 56.100 0.014 0.000 0.959 419 R CB -0.278 30.031 30.300 0.015 0.000 0.856 419 R HN 0.469 nan 8.270 nan 0.000 0.437 420 E N 0.397 120.605 120.200 0.013 0.000 2.051 420 E HA -0.158 4.176 4.350 -0.027 0.000 0.192 420 E C 1.714 178.325 176.600 0.018 0.000 0.991 420 E CA 0.985 57.393 56.400 0.014 0.000 0.799 420 E CB -0.093 29.615 29.700 0.014 0.000 0.748 420 E HN 0.333 nan 8.360 nan 0.000 0.449 421 N N 0.944 119.655 118.700 0.019 0.000 2.149 421 N HA -0.144 4.580 4.740 -0.027 0.000 0.188 421 N C 2.000 177.527 175.510 0.027 0.000 1.019 421 N CA 0.812 53.876 53.050 0.025 0.000 0.857 421 N CB -0.357 38.142 38.487 0.020 0.000 0.997 421 N HN 0.147 nan 8.380 nan 0.000 0.426 422 L N 0.726 121.959 121.223 0.016 0.000 2.046 422 L HA -0.082 4.242 4.340 -0.027 0.000 0.208 422 L C 2.508 179.392 176.870 0.024 0.000 1.077 422 L CA 1.006 55.853 54.840 0.013 0.000 0.747 422 L CB -0.197 41.863 42.059 0.001 0.000 0.896 422 L HN 0.116 nan 8.230 nan 0.000 0.432 423 R N -0.282 120.230 120.500 0.020 0.000 2.083 423 R HA -0.178 4.146 4.340 -0.027 0.000 0.237 423 R C 2.404 178.718 176.300 0.023 0.000 1.137 423 R CA 1.509 57.619 56.100 0.017 0.000 0.951 423 R CB -0.539 29.768 30.300 0.011 0.000 0.851 423 R HN 0.372 nan 8.270 nan 0.000 0.434 424 A N 1.102 123.941 122.820 0.031 0.000 1.902 424 A HA -0.157 4.147 4.320 -0.027 0.000 0.217 424 A C 2.084 179.704 177.584 0.060 0.000 1.181 424 A CA 1.074 53.135 52.037 0.040 0.000 0.623 424 A CB -0.462 18.566 19.000 0.045 0.000 0.818 424 A HN 0.254 nan 8.150 nan 0.000 0.443 425 L N -0.122 121.152 121.223 0.084 0.000 2.046 425 L HA -0.101 4.223 4.340 -0.027 0.000 0.208 425 L C 2.449 179.384 176.870 0.109 0.000 1.077 425 L CA 2.400 57.329 54.840 0.149 0.000 0.747 425 L CB -0.560 41.603 42.059 0.174 0.000 0.896 425 L HN 0.461 nan 8.230 nan 0.000 0.432 426 R N -0.668 119.873 120.500 0.070 0.000 2.092 426 R HA -0.220 4.104 4.340 -0.027 0.000 0.231 426 R C 2.235 178.510 176.300 -0.040 0.000 1.119 426 R CA 1.529 57.647 56.100 0.030 0.000 0.970 426 R CB -0.199 30.121 30.300 0.033 0.000 0.864 426 R HN 0.477 nan 8.270 nan 0.000 0.440 427 E N 0.067 120.252 120.200 -0.023 0.000 2.058 427 E HA -0.143 4.191 4.350 -0.027 0.000 0.194 427 E C 1.615 178.168 176.600 -0.077 0.000 0.997 427 E CA 2.422 58.799 56.400 -0.039 0.000 0.801 427 E CB -0.362 29.330 29.700 -0.012 0.000 0.746 427 E HN 0.280 nan 8.360 nan 0.000 0.450 428 T N 0.396 114.908 114.554 -0.069 0.000 2.684 428 T HA -0.182 4.152 4.350 -0.027 0.000 0.267 428 T C 1.847 176.321 174.700 -0.376 0.000 1.036 428 T CA 1.813 63.850 62.100 -0.104 0.000 1.148 428 T CB -0.681 68.217 68.868 0.050 0.000 0.863 428 T HN 0.379 nan 8.240 nan 0.000 0.436 429 A N 1.954 124.381 122.820 -0.655 0.000 1.883 429 A HA -0.188 4.116 4.320 -0.027 0.000 0.217 429 A C 2.147 179.444 177.584 -0.479 0.000 1.186 429 A CA 1.906 53.321 52.037 -1.037 0.000 0.624 429 A CB -0.795 17.750 19.000 -0.759 0.000 0.822 429 A HN 0.352 nan 8.150 nan 0.000 0.444 430 D N -0.516 119.728 120.400 -0.260 0.000 2.104 430 D HA -0.149 4.475 4.640 -0.027 0.000 0.194 430 D C 2.198 178.422 176.300 -0.126 0.000 0.994 430 D CA 1.329 55.240 54.000 -0.149 0.000 0.830 430 D CB -0.322 40.423 40.800 -0.091 0.000 0.959 430 D HN 0.468 nan 8.370 nan 0.000 0.452 431 R N 0.408 120.835 120.500 -0.121 0.000 2.115 431 R HA 0.021 4.345 4.340 -0.027 0.000 0.230 431 R C 2.255 178.517 176.300 -0.065 0.000 1.111 431 R CA 1.030 57.087 56.100 -0.073 0.000 0.976 431 R CB -0.207 30.066 30.300 -0.046 0.000 0.870 431 R HN 0.086 nan 8.270 nan 0.000 0.445 432 A N 0.943 123.698 122.820 -0.109 0.000 1.972 432 A HA -0.113 4.191 4.320 -0.027 0.000 0.219 432 A C 2.086 179.651 177.584 -0.030 0.000 1.169 432 A CA 1.679 53.690 52.037 -0.044 0.000 0.635 432 A CB -0.280 18.701 19.000 -0.031 0.000 0.810 432 A HN 0.269 nan 8.150 nan 0.000 0.446 433 V N -3.398 116.474 119.914 -0.069 0.000 3.542 433 V HA 0.500 4.604 4.120 -0.027 0.000 0.296 433 V C 1.035 177.102 176.094 -0.045 0.000 1.364 433 V CA 0.148 62.419 62.300 -0.049 0.000 1.118 433 V CB -0.784 31.002 31.823 -0.061 0.000 0.972 433 V HN 0.380 nan 8.190 nan 0.000 0.430 434 G N 1.027 109.803 108.800 -0.040 0.000 2.510 434 G HA2 0.555 4.499 3.960 -0.027 0.000 0.280 434 G HA3 0.555 4.499 3.960 -0.027 0.000 0.280 434 G C -2.885 172.005 174.900 -0.016 0.000 1.386 434 G CA -1.611 43.471 45.100 -0.031 0.000 1.047 434 G HN 0.364 nan 8.290 nan 0.000 0.527 435 P HA 0.183 nan 4.420 nan 0.000 0.268 435 P C 0.068 177.370 177.300 0.004 0.000 1.204 435 P CA 0.166 63.264 63.100 -0.002 0.000 0.768 435 P CB 1.079 32.777 31.700 -0.003 0.000 0.842 436 K N 0.962 121.369 120.400 0.011 0.000 3.529 436 K HA -0.159 4.145 4.320 -0.027 0.000 0.313 436 K C 0.464 177.076 176.600 0.019 0.000 1.316 436 K CA 1.462 57.758 56.287 0.016 0.000 0.988 436 K CB -2.071 30.437 32.500 0.013 0.000 1.252 436 K HN 0.683 nan 8.250 nan 0.000 0.438 437 G N 0.308 109.117 108.800 0.016 0.000 2.544 437 G HA2 0.265 4.209 3.960 -0.027 0.000 0.242 437 G HA3 0.265 4.209 3.960 -0.027 0.000 0.242 437 G C 1.023 175.945 174.900 0.038 0.000 1.247 437 G CA -0.000 45.112 45.100 0.020 0.000 0.840 437 G HN 0.602 nan 8.290 nan 0.000 0.578 438 S N 0.793 116.524 115.700 0.051 0.000 2.370 438 S HA -0.177 4.277 4.470 -0.027 0.000 0.226 438 S C 2.336 176.976 174.600 0.067 0.000 1.033 438 S CA 1.798 60.034 58.200 0.061 0.000 1.011 438 S CB -0.431 62.817 63.200 0.079 0.000 0.852 438 S HN 0.422 nan 8.310 nan 0.000 0.457 439 S N 1.546 117.292 115.700 0.078 0.000 2.383 439 S HA -0.052 4.402 4.470 -0.027 0.000 0.227 439 S C 2.088 176.753 174.600 0.107 0.000 1.026 439 S CA 1.461 59.718 58.200 0.095 0.000 0.981 439 S CB -0.941 62.317 63.200 0.097 0.000 0.818 439 S HN 0.735 nan 8.310 nan 0.000 0.472 440 T N 2.535 117.132 114.554 0.073 0.000 2.665 440 T HA -0.123 4.211 4.350 -0.027 0.000 0.268 440 T C 1.763 176.532 174.700 0.114 0.000 1.035 440 T CA 1.249 63.399 62.100 0.083 0.000 1.151 440 T CB -0.313 68.579 68.868 0.040 0.000 0.862 440 T HN 0.380 nan 8.240 nan 0.000 0.438 441 E N 1.259 121.505 120.200 0.077 0.000 2.072 441 E HA -0.064 4.270 4.350 -0.027 0.000 0.191 441 E C 2.273 178.907 176.600 0.057 0.000 0.985 441 E CA 0.719 57.155 56.400 0.059 0.000 0.801 441 E CB -0.445 29.280 29.700 0.041 0.000 0.750 441 E HN 0.417 nan 8.360 nan 0.000 0.452 442 N N 0.667 119.408 118.700 0.068 0.000 2.166 442 N HA -0.144 4.580 4.740 -0.027 0.000 0.186 442 N C 1.634 177.182 175.510 0.063 0.000 1.019 442 N CA 0.640 53.722 53.050 0.053 0.000 0.856 442 N CB -0.486 38.031 38.487 0.050 0.000 0.993 442 N HN 0.120 nan 8.380 nan 0.000 0.426 443 F N 1.501 121.435 119.950 -0.028 0.000 2.186 443 F HA 0.028 4.539 4.527 -0.026 0.000 0.299 443 F C 2.060 177.824 175.800 -0.060 0.000 1.090 443 F CA 0.682 58.646 58.000 -0.059 0.000 1.307 443 F CB -0.251 38.716 39.000 -0.054 0.000 1.019 443 F HN -0.095 nan 8.300 nan 0.000 0.489 444 I N -0.394 120.169 120.570 -0.013 0.000 2.163 444 I HA -0.366 3.788 4.170 -0.027 0.000 0.243 444 I C 2.283 178.313 176.117 -0.144 0.000 1.085 444 I CA 1.892 63.142 61.300 -0.083 0.000 1.347 444 I CB -0.925 37.078 38.000 0.004 0.000 1.044 444 I HN 0.092 nan 8.210 nan 0.000 0.408 445 T N 1.028 115.522 114.554 -0.099 0.000 2.684 445 T HA -0.215 4.119 4.350 -0.027 0.000 0.267 445 T C 1.848 176.456 174.700 -0.154 0.000 1.036 445 T CA 1.612 63.658 62.100 -0.091 0.000 1.148 445 T CB -0.380 68.461 68.868 -0.046 0.000 0.863 445 T HN 0.199 nan 8.240 nan 0.000 0.436 446 L N 1.277 122.351 121.223 -0.249 0.000 2.046 446 L HA -0.017 4.307 4.340 -0.027 0.000 0.208 446 L C 2.448 179.085 176.870 -0.389 0.000 1.077 446 L CA 1.392 56.028 54.840 -0.341 0.000 0.747 446 L CB -0.739 41.021 42.059 -0.498 0.000 0.896 446 L HN 0.072 nan 8.230 nan 0.000 0.432 447 V N 0.076 119.669 119.914 -0.535 0.000 2.324 447 V HA -0.346 3.758 4.120 -0.027 0.000 0.250 447 V C 2.299 178.295 176.094 -0.164 0.000 1.060 447 V CA 2.073 64.146 62.300 -0.378 0.000 1.042 447 V CB -0.880 30.710 31.823 -0.389 0.000 0.650 447 V HN 0.474 nan 8.190 nan 0.000 0.450 448 D N -0.070 120.249 120.400 -0.136 0.000 2.117 448 D HA -0.121 4.503 4.640 -0.027 0.000 0.197 448 D C 2.139 178.410 176.300 -0.050 0.000 0.987 448 D CA 1.187 55.149 54.000 -0.063 0.000 0.829 448 D CB -0.287 40.482 40.800 -0.052 0.000 0.961 448 D HN 0.352 nan 8.370 nan 0.000 0.460 449 L N 0.590 121.769 121.223 -0.073 0.000 2.017 449 L HA -0.135 4.189 4.340 -0.027 0.000 0.208 449 L C 2.534 179.380 176.870 -0.041 0.000 1.073 449 L CA 0.931 55.742 54.840 -0.048 0.000 0.745 449 L CB -0.530 41.500 42.059 -0.048 0.000 0.894 449 L HN 0.045 nan 8.230 nan 0.000 0.432 450 V N -5.370 114.505 119.914 -0.065 0.000 2.970 450 V HA -0.063 4.041 4.120 -0.027 0.000 0.260 450 V C 2.069 178.128 176.094 -0.057 0.000 1.100 450 V CA 1.561 63.833 62.300 -0.046 0.000 1.122 450 V CB -0.010 31.808 31.823 -0.008 0.000 0.721 450 V HN 0.279 nan 8.190 nan 0.000 0.483 451 S N -0.565 115.122 115.700 -0.021 0.000 2.496 451 S HA 0.156 4.610 4.470 -0.027 0.000 0.224 451 S C 0.895 175.529 174.600 0.058 0.000 0.996 451 S CA 0.121 58.343 58.200 0.036 0.000 0.927 451 S CB -0.247 63.032 63.200 0.131 0.000 0.774 451 S HN 0.651 nan 8.310 nan 0.000 0.524 452 K N 2.988 123.401 120.400 0.021 0.000 2.447 452 K HA 0.109 4.413 4.320 -0.027 0.000 0.281 452 K C -2.405 174.204 176.600 0.015 0.000 1.031 452 K CA -1.074 55.227 56.287 0.023 0.000 1.019 452 K CB 0.190 32.697 32.500 0.012 0.000 0.918 452 K HN 0.172 nan 8.250 nan 0.000 0.476 453 P HA 0.036 nan 4.420 nan 0.000 0.275 453 P C -0.746 176.560 177.300 0.011 0.000 1.266 453 P CA -0.494 62.615 63.100 0.017 0.000 0.793 453 P CB 0.601 32.318 31.700 0.029 0.000 1.074 454 K N 0.728 121.133 120.400 0.008 0.000 2.436 454 K HA 0.013 4.317 4.320 -0.027 0.000 0.275 454 K C 0.222 176.828 176.600 0.011 0.000 0.999 454 K CA -0.056 56.236 56.287 0.008 0.000 0.980 454 K CB -0.067 32.437 32.500 0.006 0.000 0.919 454 K HN 0.325 nan 8.250 nan 0.000 0.484 455 D N 0.000 120.407 120.400 0.011 0.000 6.856 455 D HA 0.000 4.624 4.640 -0.027 0.000 0.175 455 D CA 0.000 54.007 54.000 0.011 0.000 0.868 455 D CB 0.000 40.807 40.800 0.012 0.000 0.688 455 D HN 0.000 nan 8.370 nan 0.000 0.683