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 2ay9_1_A DATA FIRST_RESID 5 DATA SEQUENCE MLGNLKPQAP DKILALMGEF RADPRQGKID LGVGVYKDAT GHTPIMRAVH DATA SEQUENCE AAEQRMLETE XTTKTYAGLS GEPEFQKAMG ELILGDGXXX LKSETTATLA DATA SEQUENCE TVGGTGALRQ ALELARMANP DLXXRXXXVF VSDPTWPNHV SIMNFMGLXP DATA SEQUENCE VQTYRYFDAE TRGVDFEGMK ADLAAAKKGD MVLLHGCCHN PTGANLTLDQ DATA SEQUENCE WAEIASILEK TGALPLIDLA YQGFGDGXLE EDAAGTRLIA SRIPEVLIAA DATA SEQUENCE SCSKNFGIYR ERTGCLLALC ADAATRELAQ GAMAFLNRQT YSFPPFHGAK DATA SEQUENCE IVSTVLTTPE LRADWMAELE AVRSGMLRLR EQLAGELRDL SGSDRFGFVA DATA SEQUENCE EHRGMFSRLG ATPEQVKRIK EEFGIYMVGD SRINIAGLND NTIPILARAI DATA SEQUENCE IEVGV 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.305 176.300 0.008 0.000 1.140 5 M CA 0.000 55.304 55.300 0.007 0.000 0.988 5 M CB 0.000 32.605 32.600 0.008 0.000 1.302 6 L N 0.857 122.085 121.223 0.008 0.000 2.353 6 L HA 0.015 4.355 4.340 -0.000 0.000 0.220 6 L C 2.112 178.986 176.870 0.007 0.000 1.133 6 L CA 1.336 56.181 54.840 0.009 0.000 0.798 6 L CB -0.819 41.244 42.059 0.008 0.000 0.922 6 L HN 0.603 nan 8.230 nan 0.000 0.445 7 G N -0.090 108.713 108.800 0.006 0.000 2.509 7 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.218 7 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.218 7 G C 1.380 176.284 174.900 0.006 0.000 1.124 7 G CA 0.311 45.414 45.100 0.005 0.000 0.776 7 G HN 0.357 nan 8.290 nan 0.000 0.547 8 N N 0.318 119.022 118.700 0.007 0.000 2.080 8 N HA -0.034 4.706 4.740 -0.000 0.000 0.189 8 N C 0.801 176.317 175.510 0.010 0.000 1.036 8 N CA -0.022 53.033 53.050 0.008 0.000 0.846 8 N CB -0.618 37.874 38.487 0.009 0.000 1.015 8 N HN 0.134 nan 8.380 nan 0.000 0.423 9 L N 2.513 123.743 121.223 0.012 0.000 2.972 9 L HA -0.200 4.139 4.340 -0.000 0.000 0.312 9 L C 0.018 176.896 176.870 0.012 0.000 1.169 9 L CA 0.641 55.490 54.840 0.014 0.000 0.873 9 L CB -0.347 41.719 42.059 0.013 0.000 1.237 9 L HN 0.225 nan 8.230 nan 0.000 0.510 10 K N 5.538 125.947 120.400 0.015 0.000 2.270 10 K HA 0.437 4.757 4.320 -0.000 0.000 0.276 10 K C -2.249 174.357 176.600 0.008 0.000 1.023 10 K CA -1.490 54.804 56.287 0.012 0.000 0.955 10 K CB -0.390 32.119 32.500 0.015 0.000 0.975 10 K HN 0.309 nan 8.250 nan 0.000 0.471 11 P HA -0.056 nan 4.420 nan 0.000 0.260 11 P C -0.902 176.396 177.300 -0.004 0.000 1.185 11 P CA 0.152 63.252 63.100 -0.001 0.000 0.763 11 P CB 0.408 32.108 31.700 -0.002 0.000 0.776 12 Q N 2.223 122.017 119.800 -0.010 0.000 2.303 12 Q HA 0.470 4.810 4.340 -0.000 0.000 0.257 12 Q C 0.065 176.050 176.000 -0.025 0.000 0.941 12 Q CA -0.525 55.267 55.803 -0.019 0.000 0.931 12 Q CB 1.760 30.481 28.738 -0.028 0.000 1.215 12 Q HN 0.487 nan 8.270 nan 0.000 0.437 13 A N 5.077 127.881 122.820 -0.027 0.000 2.531 13 A HA 0.344 4.664 4.320 -0.000 0.000 0.236 13 A C -1.649 175.912 177.584 -0.039 0.000 1.062 13 A CA -0.660 51.359 52.037 -0.029 0.000 0.760 13 A CB -0.613 18.369 19.000 -0.030 0.000 0.995 13 A HN 0.483 nan 8.150 nan 0.000 0.501 14 P HA 0.020 nan 4.420 nan 0.000 0.272 14 P C 0.522 177.792 177.300 -0.049 0.000 1.243 14 P CA 0.054 63.133 63.100 -0.036 0.000 0.803 14 P CB 0.409 32.094 31.700 -0.025 0.000 0.974 15 D N 0.367 120.738 120.400 -0.049 0.000 2.378 15 D HA -0.128 4.512 4.640 -0.000 0.000 0.227 15 D C 0.910 177.173 176.300 -0.062 0.000 1.012 15 D CA 0.270 54.232 54.000 -0.063 0.000 0.905 15 D CB -0.003 40.765 40.800 -0.054 0.000 0.895 15 D HN 0.227 nan 8.370 nan 0.000 0.532 16 K N -0.261 120.111 120.400 -0.046 0.000 3.518 16 K HA -0.277 4.043 4.320 -0.000 0.000 0.287 16 K C 1.356 177.939 176.600 -0.028 0.000 0.935 16 K CA 1.528 57.792 56.287 -0.038 0.000 1.201 16 K CB -1.801 30.667 32.500 -0.053 0.000 1.453 16 K HN 0.378 nan 8.250 nan 0.000 0.443 17 I N 1.236 121.786 120.570 -0.033 0.000 2.226 17 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 17 I C 2.131 178.243 176.117 -0.007 0.000 1.100 17 I CA 1.449 62.736 61.300 -0.022 0.000 1.374 17 I CB -0.584 37.404 38.000 -0.020 0.000 1.057 17 I HN 0.287 nan 8.210 nan 0.000 0.413 18 L N 0.816 122.034 121.223 -0.007 0.000 2.083 18 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 18 L C 2.529 179.407 176.870 0.013 0.000 1.083 18 L CA 2.241 57.082 54.840 0.002 0.000 0.752 18 L CB -2.385 39.672 42.059 -0.003 0.000 0.899 18 L HN 0.148 nan 8.230 nan 0.000 0.433 19 A N 0.252 123.079 122.820 0.012 0.000 1.929 19 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 19 A C 2.361 179.974 177.584 0.049 0.000 1.176 19 A CA 1.282 53.334 52.037 0.025 0.000 0.628 19 A CB -0.647 18.363 19.000 0.016 0.000 0.816 19 A HN 0.420 nan 8.150 nan 0.000 0.444 20 L N -1.125 120.123 121.223 0.042 0.000 2.017 20 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 20 L C 2.426 179.345 176.870 0.080 0.000 1.073 20 L CA 2.693 57.573 54.840 0.067 0.000 0.745 20 L CB -0.783 41.294 42.059 0.030 0.000 0.894 20 L HN 0.479 nan 8.230 nan 0.000 0.432 21 M N -0.055 119.574 119.600 0.048 0.000 2.296 21 M HA -0.015 4.465 4.480 -0.000 0.000 0.265 21 M C 1.985 178.339 176.300 0.090 0.000 1.064 21 M CA 1.513 56.855 55.300 0.070 0.000 1.109 21 M CB -1.148 31.477 32.600 0.041 0.000 1.396 21 M HN 0.187 nan 8.290 nan 0.000 0.430 22 G N -0.385 108.452 108.800 0.062 0.000 2.514 22 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 22 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 22 G C 1.474 176.403 174.900 0.049 0.000 1.198 22 G CA 1.094 46.221 45.100 0.046 0.000 0.780 22 G HN 0.611 nan 8.290 nan 0.000 0.565 23 E N -0.694 119.561 120.200 0.091 0.000 2.150 23 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 23 E C 2.083 178.711 176.600 0.047 0.000 0.985 23 E CA 0.501 56.974 56.400 0.122 0.000 0.814 23 E CB -0.208 29.634 29.700 0.237 0.000 0.752 23 E HN 0.393 nan 8.360 nan 0.000 0.466 24 F N 1.742 121.558 119.950 -0.224 0.000 2.075 24 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 24 F C 2.209 177.828 175.800 -0.302 0.000 1.113 24 F CA 1.638 59.297 58.000 -0.567 0.000 1.218 24 F CB -0.131 38.540 39.000 -0.548 0.000 0.984 24 F HN -0.120 nan 8.300 nan 0.000 0.472 25 R N 0.133 120.492 120.500 -0.235 0.000 2.096 25 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 25 R C 2.335 178.493 176.300 -0.238 0.000 1.127 25 R CA 1.201 57.144 56.100 -0.262 0.000 0.968 25 R CB -0.897 29.356 30.300 -0.078 0.000 0.861 25 R HN 0.376 nan 8.270 nan 0.000 0.440 26 A N 1.161 123.891 122.820 -0.149 0.000 2.121 26 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 26 A C 0.643 178.160 177.584 -0.112 0.000 1.154 26 A CA 0.415 52.394 52.037 -0.097 0.000 0.679 26 A CB -0.235 18.744 19.000 -0.035 0.000 0.795 26 A HN 0.129 nan 8.150 nan 0.000 0.458 27 D N 0.607 120.895 120.400 -0.187 0.000 2.382 27 D HA 0.098 4.738 4.640 -0.000 0.000 0.259 27 D C -1.620 174.588 176.300 -0.154 0.000 1.224 27 D CA -1.345 52.570 54.000 -0.142 0.000 0.894 27 D CB 1.081 41.766 40.800 -0.191 0.000 1.127 27 D HN 0.194 nan 8.370 nan 0.000 0.487 28 P HA 0.051 nan 4.420 nan 0.000 0.255 28 P C -0.055 177.209 177.300 -0.060 0.000 1.301 28 P CA 0.016 63.073 63.100 -0.071 0.000 0.817 28 P CB 0.350 32.024 31.700 -0.044 0.000 1.259 29 R N 0.627 121.093 120.500 -0.057 0.000 2.234 29 R HA 0.185 4.525 4.340 -0.000 0.000 0.324 29 R C 1.094 177.368 176.300 -0.043 0.000 1.054 29 R CA -0.214 55.868 56.100 -0.030 0.000 0.912 29 R CB 0.582 30.887 30.300 0.010 0.000 1.030 29 R HN -0.025 nan 8.270 nan 0.000 0.455 30 Q N 0.915 120.698 119.800 -0.029 0.000 2.291 30 Q HA -0.061 4.279 4.340 -0.000 0.000 0.206 30 Q C 1.438 177.436 176.000 -0.003 0.000 0.976 30 Q CA 1.441 57.228 55.803 -0.026 0.000 0.875 30 Q CB 0.327 29.055 28.738 -0.016 0.000 0.927 30 Q HN 0.839 nan 8.270 nan 0.000 0.450 31 G N 0.564 109.375 108.800 0.019 0.000 3.605 31 G HA2 0.091 4.051 3.960 -0.000 0.000 0.277 31 G HA3 0.091 4.051 3.960 -0.000 0.000 0.277 31 G C -0.477 174.479 174.900 0.094 0.000 1.093 31 G CA -0.578 44.552 45.100 0.050 0.000 0.821 31 G HN 0.230 nan 8.290 nan 0.000 0.532 32 K N 0.259 120.715 120.400 0.094 0.000 2.355 32 K HA 0.468 4.787 4.320 -0.000 0.000 0.270 32 K C -0.634 176.153 176.600 0.312 0.000 1.003 32 K CA -0.054 56.355 56.287 0.204 0.000 0.957 32 K CB 1.289 33.837 32.500 0.079 0.000 0.939 32 K HN 0.026 nan 8.250 nan 0.000 0.482 33 I N 1.002 121.802 120.570 0.383 0.000 2.646 33 I HA 0.163 4.333 4.170 -0.000 0.000 0.299 33 I C -1.074 175.138 176.117 0.159 0.000 1.036 33 I CA -0.972 60.481 61.300 0.254 0.000 1.074 33 I CB 2.116 40.210 38.000 0.157 0.000 1.258 33 I HN 0.724 nan 8.210 nan 0.000 0.430 34 D N 5.362 125.685 120.400 -0.128 0.000 2.420 34 D HA 0.308 4.948 4.640 -0.000 0.000 0.255 34 D C -0.230 175.962 176.300 -0.180 0.000 1.185 34 D CA -0.306 53.446 54.000 -0.413 0.000 0.904 34 D CB 1.114 41.260 40.800 -1.089 0.000 1.102 34 D HN 0.181 nan 8.370 nan 0.000 0.534 35 L N 3.085 124.275 121.223 -0.055 0.000 2.700 35 L HA 0.387 4.727 4.340 -0.000 0.000 0.234 35 L C 2.008 178.898 176.870 0.034 0.000 1.156 35 L CA 0.275 55.120 54.840 0.007 0.000 0.946 35 L CB -0.103 41.986 42.059 0.049 0.000 1.216 35 L HN 0.565 nan 8.230 nan 0.000 0.493 36 G N -0.165 108.623 108.800 -0.019 0.000 2.777 36 G HA2 0.094 4.054 3.960 -0.000 0.000 0.211 36 G HA3 0.094 4.054 3.960 -0.000 0.000 0.211 36 G C 0.723 175.634 174.900 0.019 0.000 1.149 36 G CA 0.131 45.233 45.100 0.003 0.000 0.785 36 G HN 0.200 nan 8.290 nan 0.000 0.536 37 V N -0.756 119.159 119.914 0.001 0.000 2.814 37 V HA 0.446 4.565 4.120 -0.000 0.000 0.307 37 V C 1.361 177.567 176.094 0.187 0.000 1.089 37 V CA 0.332 62.651 62.300 0.032 0.000 1.212 37 V CB 0.927 32.738 31.823 -0.021 0.000 0.912 37 V HN 0.078 nan 8.190 nan 0.000 0.497 38 G N 2.401 111.313 108.800 0.187 0.000 3.502 38 G HA2 0.489 4.448 3.960 -0.000 0.000 0.267 38 G HA3 0.489 4.448 3.960 -0.000 0.000 0.267 38 G C 0.081 175.192 174.900 0.352 0.000 1.090 38 G CA 0.537 45.869 45.100 0.387 0.000 0.795 38 G HN 1.260 nan 8.290 nan 0.000 0.535 39 V N -3.467 116.545 119.914 0.165 0.000 3.102 39 V HA 0.736 4.855 4.120 -0.000 0.000 0.312 39 V C -0.660 175.508 176.094 0.124 0.000 1.135 39 V CA -2.045 60.308 62.300 0.088 0.000 1.022 39 V CB 1.587 33.254 31.823 -0.261 0.000 1.056 39 V HN 0.105 nan 8.190 nan 0.000 0.436 40 Y N 1.852 122.230 120.300 0.131 0.000 2.336 40 Y HA 0.627 5.177 4.550 -0.000 0.000 0.331 40 Y C 0.081 176.041 175.900 0.101 0.000 1.211 40 Y CA -0.283 57.900 58.100 0.139 0.000 1.346 40 Y CB 0.852 39.487 38.460 0.292 0.000 1.271 40 Y HN 0.757 nan 8.280 nan 0.000 0.538 41 K N 5.397 125.243 120.400 -0.923 0.000 2.513 41 K HA 0.207 4.527 4.320 -0.000 0.000 0.251 41 K C -1.202 174.834 176.600 -0.941 0.000 0.939 41 K CA -0.981 54.883 56.287 -0.704 0.000 0.793 41 K CB 1.804 34.108 32.500 -0.326 0.000 1.241 41 K HN 0.763 nan 8.250 nan 0.000 0.431 42 D N 1.201 121.252 120.400 -0.583 0.000 2.398 42 D HA 0.104 4.744 4.640 -0.000 0.000 0.264 42 D C 1.121 177.353 176.300 -0.114 0.000 1.263 42 D CA -0.367 53.492 54.000 -0.235 0.000 1.037 42 D CB 0.265 41.085 40.800 0.034 0.000 1.101 42 D HN 0.421 nan 8.370 nan 0.000 0.551 43 A N -0.714 122.099 122.820 -0.011 0.000 1.986 43 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 43 A C 1.917 179.488 177.584 -0.023 0.000 1.171 43 A CA 2.606 54.639 52.037 -0.005 0.000 0.640 43 A CB -1.385 17.631 19.000 0.026 0.000 0.811 43 A HN 0.752 nan 8.150 nan 0.000 0.451 44 T N -4.594 109.956 114.554 -0.007 0.000 3.188 44 T HA 0.423 4.773 4.350 -0.000 0.000 0.250 44 T C 1.259 175.806 174.700 -0.255 0.000 1.077 44 T CA 0.956 63.042 62.100 -0.024 0.000 0.967 44 T CB -0.067 68.898 68.868 0.161 0.000 1.006 44 T HN 1.727 nan 8.240 nan 0.000 0.552 45 G N 0.973 109.627 108.800 -0.244 0.000 2.162 45 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 45 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 45 G C -0.184 174.467 174.900 -0.415 0.000 0.976 45 G CA 0.219 45.122 45.100 -0.329 0.000 0.655 45 G HN 0.775 nan 8.290 nan 0.000 0.533 46 H N -0.470 118.556 119.070 -0.073 0.000 2.533 46 H HA 0.637 5.192 4.556 -0.000 0.000 0.343 46 H C 0.013 175.297 175.328 -0.073 0.000 1.160 46 H CA -0.024 55.994 56.048 -0.050 0.000 1.218 46 H CB 1.491 31.248 29.762 -0.007 0.000 1.566 46 H HN 0.049 nan 8.280 nan 0.000 0.522 47 T N 5.047 119.670 114.554 0.114 0.000 3.281 47 T HA 0.168 4.518 4.350 -0.000 0.000 0.359 47 T C -2.089 172.734 174.700 0.204 0.000 1.459 47 T CA -1.295 60.875 62.100 0.117 0.000 1.114 47 T CB -0.183 68.713 68.868 0.047 0.000 1.162 47 T HN 0.466 nan 8.240 nan 0.000 0.665 48 P HA 0.251 nan 4.420 nan 0.000 0.270 48 P C -0.358 177.084 177.300 0.237 0.000 1.223 48 P CA -0.424 62.798 63.100 0.204 0.000 0.785 48 P CB 1.095 32.910 31.700 0.192 0.000 0.923 49 I N 1.770 122.458 120.570 0.196 0.000 2.342 49 I HA 0.182 4.352 4.170 -0.000 0.000 0.291 49 I C 1.186 177.423 176.117 0.200 0.000 1.010 49 I CA -0.690 60.736 61.300 0.210 0.000 1.308 49 I CB 0.543 38.663 38.000 0.201 0.000 1.400 49 I HN 0.195 nan 8.210 nan 0.000 0.488 50 M N 5.814 125.542 119.600 0.213 0.000 2.248 50 M HA 0.083 4.563 4.480 -0.000 0.000 0.345 50 M C 1.434 177.844 176.300 0.183 0.000 1.243 50 M CA 0.334 55.751 55.300 0.195 0.000 1.090 50 M CB 0.337 33.082 32.600 0.241 0.000 1.683 50 M HN 0.556 nan 8.290 nan 0.000 0.450 51 R N 2.118 122.700 120.500 0.137 0.000 2.113 51 R HA -0.234 4.106 4.340 -0.000 0.000 0.244 51 R C 2.113 178.501 176.300 0.147 0.000 1.142 51 R CA 1.988 58.153 56.100 0.109 0.000 0.953 51 R CB -0.752 29.586 30.300 0.064 0.000 0.860 51 R HN 0.887 nan 8.270 nan 0.000 0.438 52 A N 0.701 123.622 122.820 0.168 0.000 1.930 52 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 52 A C 2.421 180.096 177.584 0.151 0.000 1.175 52 A CA 1.330 53.469 52.037 0.169 0.000 0.627 52 A CB -0.429 18.709 19.000 0.229 0.000 0.815 52 A HN 0.132 nan 8.150 nan 0.000 0.443 53 V N -0.262 119.756 119.914 0.173 0.000 2.343 53 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 53 V C 2.558 178.725 176.094 0.121 0.000 1.051 53 V CA 2.153 64.530 62.300 0.129 0.000 1.036 53 V CB -0.949 30.968 31.823 0.156 0.000 0.654 53 V HN 0.790 nan 8.190 nan 0.000 0.451 54 H N 0.422 119.537 119.070 0.074 0.000 2.457 54 H HA -0.029 4.526 4.556 -0.000 0.000 0.294 54 H C 2.182 177.539 175.328 0.048 0.000 1.064 54 H CA 1.615 57.702 56.048 0.064 0.000 1.330 54 H CB 0.132 29.932 29.762 0.064 0.000 1.395 54 H HN 0.394 nan 8.280 nan 0.000 0.541 55 A N 0.819 123.781 122.820 0.237 0.000 1.897 55 A HA 0.027 4.347 4.320 -0.000 0.000 0.215 55 A C 2.719 180.350 177.584 0.078 0.000 1.181 55 A CA 1.447 53.582 52.037 0.163 0.000 0.620 55 A CB -0.926 18.145 19.000 0.119 0.000 0.821 55 A HN 0.493 nan 8.150 nan 0.000 0.443 56 A N -0.111 122.735 122.820 0.043 0.000 1.902 56 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 56 A C 1.899 179.456 177.584 -0.045 0.000 1.181 56 A CA 1.619 53.646 52.037 -0.017 0.000 0.623 56 A CB -0.522 18.445 19.000 -0.055 0.000 0.818 56 A HN 0.620 nan 8.150 nan 0.000 0.443 57 E N -0.464 119.704 120.200 -0.053 0.000 2.153 57 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 57 E C 2.245 178.824 176.600 -0.034 0.000 0.988 57 E CA 1.279 57.646 56.400 -0.055 0.000 0.811 57 E CB -0.142 29.523 29.700 -0.059 0.000 0.746 57 E HN 0.754 nan 8.360 nan 0.000 0.466 58 Q N 0.133 119.913 119.800 -0.034 0.000 2.083 58 Q HA -0.058 4.282 4.340 -0.000 0.000 0.198 58 Q C 2.145 178.155 176.000 0.016 0.000 0.969 58 Q CA 0.819 56.622 55.803 -0.000 0.000 0.838 58 Q CB 0.026 28.795 28.738 0.050 0.000 0.900 58 Q HN 0.156 nan 8.270 nan 0.000 0.436 59 R N 0.144 120.654 120.500 0.017 0.000 2.092 59 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 59 R C 2.193 178.501 176.300 0.014 0.000 1.119 59 R CA 1.285 57.394 56.100 0.016 0.000 0.970 59 R CB -0.219 30.089 30.300 0.013 0.000 0.864 59 R HN 0.295 nan 8.270 nan 0.000 0.440 60 M N 0.297 119.902 119.600 0.008 0.000 2.132 60 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 60 M C 2.182 178.508 176.300 0.043 0.000 1.065 60 M CA 1.182 56.499 55.300 0.028 0.000 1.122 60 M CB -0.256 32.353 32.600 0.015 0.000 1.365 60 M HN 0.090 nan 8.290 nan 0.000 0.411 61 L N 0.661 121.906 121.223 0.037 0.000 2.191 61 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 61 L C 1.805 178.686 176.870 0.019 0.000 1.103 61 L CA 1.916 56.774 54.840 0.030 0.000 0.769 61 L CB -0.319 41.751 42.059 0.019 0.000 0.908 61 L HN 0.278 nan 8.230 nan 0.000 0.438 62 E N -1.953 118.258 120.200 0.018 0.000 2.340 62 E HA -0.027 4.322 4.350 -0.000 0.000 0.194 62 E C 1.612 178.220 176.600 0.013 0.000 0.996 62 E CA 0.984 57.392 56.400 0.014 0.000 0.869 62 E CB 0.129 29.839 29.700 0.016 0.000 0.835 62 E HN 0.649 nan 8.360 nan 0.000 0.493 63 T N -1.741 112.823 114.554 0.017 0.000 2.990 63 T HA 0.094 4.444 4.350 -0.000 0.000 0.250 63 T C 0.851 175.561 174.700 0.016 0.000 1.041 63 T CA -0.313 61.797 62.100 0.017 0.000 1.010 63 T CB 0.329 69.209 68.868 0.020 0.000 1.003 63 T HN -0.183 nan 8.240 nan 0.000 0.499 67 T N 0.217 114.713 114.554 -0.097 0.000 2.816 67 T HA 0.653 5.002 4.350 -0.000 0.000 0.299 67 T C -1.479 173.099 174.700 -0.203 0.000 1.230 67 T CA -0.594 61.426 62.100 -0.133 0.000 1.007 67 T CB 2.171 70.962 68.868 -0.127 0.000 1.289 67 T HN 0.116 nan 8.240 nan 0.000 0.508 68 K N 1.481 121.739 120.400 -0.238 0.000 2.644 68 K HA 0.226 4.546 4.320 -0.000 0.000 0.198 68 K C -0.054 176.322 176.600 -0.374 0.000 1.113 68 K CA -0.266 55.827 56.287 -0.324 0.000 1.073 68 K CB 0.782 33.124 32.500 -0.263 0.000 0.811 68 K HN 0.689 nan 8.250 nan 0.000 0.508 69 T N 0.644 115.004 114.554 -0.324 0.000 2.734 69 T HA 0.019 4.369 4.350 -0.000 0.000 0.314 69 T C 0.330 174.795 174.700 -0.393 0.000 1.057 69 T CA 0.127 62.017 62.100 -0.350 0.000 1.047 69 T CB 0.246 68.997 68.868 -0.195 0.000 0.991 69 T HN -0.008 nan 8.240 nan 0.000 0.540 70 Y N 0.655 120.735 120.300 -0.366 0.000 2.712 70 Y HA 0.340 4.890 4.550 -0.000 0.000 0.333 70 Y C 0.905 176.584 175.900 -0.368 0.000 1.225 70 Y CA 0.118 57.853 58.100 -0.608 0.000 1.499 70 Y CB -0.231 37.679 38.460 -0.917 0.000 1.288 70 Y HN 0.850 nan 8.280 nan 0.000 0.575 71 A N 2.544 125.307 122.820 -0.095 0.000 3.934 71 A HA 0.745 5.065 4.320 -0.000 0.000 0.163 71 A C 0.630 178.376 177.584 0.270 0.000 1.103 71 A CA -0.201 51.880 52.037 0.073 0.000 1.170 71 A CB -0.608 18.433 19.000 0.067 0.000 1.564 71 A HN 0.811 nan 8.150 nan 0.000 0.705 72 G N -0.428 108.538 108.800 0.278 0.000 2.334 72 G HA2 0.391 4.351 3.960 -0.000 0.000 0.261 72 G HA3 0.391 4.351 3.960 -0.000 0.000 0.261 72 G C 0.557 175.660 174.900 0.339 0.000 1.257 72 G CA 0.038 45.306 45.100 0.281 0.000 0.935 72 G HN 0.725 nan 8.290 nan 0.000 0.480 73 L N 2.815 124.179 121.223 0.234 0.000 2.042 73 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 73 L C 2.557 179.445 176.870 0.030 0.000 1.076 73 L CA 2.668 57.496 54.840 -0.019 0.000 0.749 73 L CB -0.122 41.830 42.059 -0.180 0.000 0.893 73 L HN 0.543 nan 8.230 nan 0.000 0.432 74 S N -1.224 114.521 115.700 0.074 0.000 2.572 74 S HA 0.633 5.102 4.470 -0.000 0.000 0.228 74 S C 0.671 175.352 174.600 0.135 0.000 0.963 74 S CA -0.065 58.188 58.200 0.087 0.000 0.939 74 S CB -0.349 62.890 63.200 0.064 0.000 0.804 74 S HN 0.800 nan 8.310 nan 0.000 0.480 75 G N 0.792 109.690 108.800 0.163 0.000 2.555 75 G HA2 0.079 4.039 3.960 -0.000 0.000 0.686 75 G HA3 0.079 4.039 3.960 -0.000 0.000 0.686 75 G C -1.471 173.532 174.900 0.172 0.000 1.275 75 G CA -1.072 44.133 45.100 0.176 0.000 0.871 75 G HN 0.167 nan 8.290 nan 0.000 0.603 76 E N 0.734 121.033 120.200 0.166 0.000 2.249 76 E HA 0.561 4.911 4.350 -0.000 0.000 0.280 76 E C -1.270 175.415 176.600 0.141 0.000 1.016 76 E CA -2.124 54.366 56.400 0.151 0.000 0.830 76 E CB 1.380 31.159 29.700 0.131 0.000 1.081 76 E HN 0.146 nan 8.360 nan 0.000 0.395 77 P HA -0.229 nan 4.420 nan 0.000 0.216 77 P C 0.962 178.295 177.300 0.055 0.000 1.154 77 P CA 1.352 64.494 63.100 0.069 0.000 0.865 77 P CB 0.339 32.073 31.700 0.056 0.000 0.789 78 E N -1.777 118.459 120.200 0.060 0.000 2.118 78 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 78 E C 1.762 178.389 176.600 0.046 0.000 0.992 78 E CA 0.939 57.362 56.400 0.037 0.000 0.804 78 E CB -0.493 29.223 29.700 0.026 0.000 0.741 78 E HN 0.132 nan 8.360 nan 0.000 0.458 79 F N 1.302 121.195 119.950 -0.095 0.000 2.128 79 F HA -0.063 4.464 4.527 -0.000 0.000 0.295 79 F C 2.209 177.954 175.800 -0.090 0.000 1.100 79 F CA 1.478 59.401 58.000 -0.129 0.000 1.260 79 F CB -0.238 38.669 39.000 -0.155 0.000 1.009 79 F HN -0.002 nan 8.300 nan 0.000 0.476 80 Q N 0.016 119.777 119.800 -0.065 0.000 2.030 80 Q HA -0.260 4.080 4.340 -0.000 0.000 0.204 80 Q C 2.177 178.079 176.000 -0.163 0.000 0.986 80 Q CA 2.053 57.771 55.803 -0.141 0.000 0.843 80 Q CB -0.300 28.432 28.738 -0.010 0.000 0.904 80 Q HN 0.168 nan 8.270 nan 0.000 0.420 81 K N 0.887 121.230 120.400 -0.095 0.000 2.002 81 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 81 K C 1.908 178.441 176.600 -0.111 0.000 1.048 81 K CA 1.572 57.812 56.287 -0.079 0.000 0.930 81 K CB -0.665 31.811 32.500 -0.040 0.000 0.714 81 K HN 0.190 nan 8.250 nan 0.000 0.438 82 A N 0.583 123.326 122.820 -0.129 0.000 1.917 82 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 82 A C 2.211 179.681 177.584 -0.190 0.000 1.182 82 A CA 2.028 53.984 52.037 -0.135 0.000 0.633 82 A CB -0.527 18.396 19.000 -0.128 0.000 0.819 82 A HN 0.344 nan 8.150 nan 0.000 0.448 83 M N -0.826 118.570 119.600 -0.341 0.000 2.132 83 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 83 M C 2.353 178.533 176.300 -0.200 0.000 1.065 83 M CA 1.518 56.601 55.300 -0.361 0.000 1.122 83 M CB -1.709 30.488 32.600 -0.673 0.000 1.365 83 M HN 0.497 nan 8.290 nan 0.000 0.411 84 G N -0.079 108.618 108.800 -0.172 0.000 2.422 84 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 84 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 84 G C 1.486 176.345 174.900 -0.069 0.000 1.146 84 G CA 0.653 45.692 45.100 -0.102 0.000 0.769 84 G HN 0.521 nan 8.290 nan 0.000 0.547 85 E N -0.189 119.971 120.200 -0.066 0.000 2.072 85 E HA 0.027 4.377 4.350 -0.000 0.000 0.190 85 E C 2.383 178.972 176.600 -0.019 0.000 0.982 85 E CA 0.192 56.570 56.400 -0.037 0.000 0.803 85 E CB -0.218 29.463 29.700 -0.032 0.000 0.755 85 E HN 0.264 nan 8.360 nan 0.000 0.453 86 L N 1.188 122.399 121.223 -0.019 0.000 2.079 86 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 86 L C 2.017 178.901 176.870 0.024 0.000 1.081 86 L CA 1.553 56.410 54.840 0.029 0.000 0.752 86 L CB -0.201 41.887 42.059 0.049 0.000 0.896 86 L HN 0.198 nan 8.230 nan 0.000 0.433 87 I N -0.738 119.827 120.570 -0.008 0.000 2.364 87 I HA -0.241 3.929 4.170 -0.000 0.000 0.241 87 I C 2.074 178.177 176.117 -0.023 0.000 1.082 87 I CA 0.717 62.010 61.300 -0.011 0.000 1.401 87 I CB -0.067 37.917 38.000 -0.025 0.000 1.126 87 I HN 0.121 nan 8.210 nan 0.000 0.429 88 L N 0.562 121.767 121.223 -0.031 0.000 2.591 88 L HA 0.264 4.603 4.340 -0.000 0.000 0.228 88 L C 1.453 178.306 176.870 -0.028 0.000 1.133 88 L CA 0.108 54.928 54.840 -0.034 0.000 0.880 88 L CB -0.917 41.120 42.059 -0.035 0.000 1.033 88 L HN 0.461 nan 8.230 nan 0.000 0.450 89 G N 1.084 109.872 108.800 -0.020 0.000 2.602 89 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.306 89 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.306 89 G C 0.545 175.435 174.900 -0.016 0.000 1.301 89 G CA 0.460 45.551 45.100 -0.014 0.000 0.974 89 G HN 0.325 nan 8.290 nan 0.000 0.547 90 D N 1.595 121.987 120.400 -0.014 0.000 2.265 90 D HA 0.002 4.642 4.640 -0.000 0.000 0.208 90 D C 1.802 178.093 176.300 -0.015 0.000 0.977 90 D CA 1.396 55.388 54.000 -0.013 0.000 0.871 90 D CB -0.542 40.251 40.800 -0.011 0.000 0.925 90 D HN 0.670 nan 8.370 nan 0.000 0.485 96 K N 2.352 122.742 120.400 -0.016 0.000 2.244 96 K HA 0.489 4.808 4.320 -0.000 0.000 0.263 96 K C 1.175 177.768 176.600 -0.011 0.000 1.103 96 K CA 0.171 56.451 56.287 -0.012 0.000 0.966 96 K CB 0.900 33.394 32.500 -0.010 0.000 1.429 96 K HN 0.647 nan 8.250 nan 0.000 0.434 97 S N 1.355 117.049 115.700 -0.010 0.000 2.380 97 S HA -0.288 4.182 4.470 -0.000 0.000 0.229 97 S C 1.726 176.323 174.600 -0.005 0.000 1.043 97 S CA 1.550 59.745 58.200 -0.009 0.000 1.038 97 S CB -0.150 63.046 63.200 -0.007 0.000 0.872 97 S HN 0.756 nan 8.310 nan 0.000 0.456 98 E N 0.676 120.874 120.200 -0.004 0.000 2.130 98 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 98 E C 1.464 178.063 176.600 -0.002 0.000 0.998 98 E CA 1.611 58.010 56.400 -0.002 0.000 0.806 98 E CB -0.052 29.646 29.700 -0.002 0.000 0.738 98 E HN 0.719 nan 8.360 nan 0.000 0.459 99 T N -2.429 112.123 114.554 -0.003 0.000 3.132 99 T HA 0.190 4.540 4.350 -0.000 0.000 0.274 99 T C 0.049 174.747 174.700 -0.003 0.000 1.011 99 T CA -0.471 61.628 62.100 -0.002 0.000 0.899 99 T CB 0.713 69.579 68.868 -0.003 0.000 1.089 99 T HN -0.171 nan 8.240 nan 0.000 0.543 100 T N 2.856 117.407 114.554 -0.004 0.000 2.758 100 T HA 0.717 5.067 4.350 -0.000 0.000 0.285 100 T C -0.118 174.581 174.700 -0.002 0.000 0.981 100 T CA -0.518 61.579 62.100 -0.006 0.000 0.965 100 T CB 1.193 70.053 68.868 -0.012 0.000 0.927 100 T HN 0.500 nan 8.240 nan 0.000 0.448 101 A N 3.531 126.352 122.820 0.002 0.000 2.292 101 A HA 0.738 5.058 4.320 -0.000 0.000 0.319 101 A C 0.252 177.841 177.584 0.010 0.000 1.206 101 A CA -0.602 51.440 52.037 0.009 0.000 0.835 101 A CB 0.531 19.538 19.000 0.013 0.000 1.164 101 A HN 0.715 nan 8.150 nan 0.000 0.505 102 T N 1.984 116.546 114.554 0.015 0.000 2.876 102 T HA 0.604 4.954 4.350 -0.000 0.000 0.289 102 T C -1.142 173.585 174.700 0.045 0.000 1.014 102 T CA -0.307 61.803 62.100 0.017 0.000 0.986 102 T CB 1.350 70.214 68.868 -0.006 0.000 1.021 102 T HN 0.609 nan 8.240 nan 0.000 0.458 103 L N 2.557 123.817 121.223 0.062 0.000 2.439 103 L HA 0.779 5.119 4.340 -0.000 0.000 0.270 103 L C -0.400 176.557 176.870 0.146 0.000 0.972 103 L CA -0.531 54.367 54.840 0.095 0.000 0.836 103 L CB 1.242 43.350 42.059 0.081 0.000 1.255 103 L HN 0.845 nan 8.230 nan 0.000 0.404 104 A N 3.024 125.961 122.820 0.196 0.000 2.401 104 A HA 0.662 4.982 4.320 -0.000 0.000 0.259 104 A C 0.268 177.967 177.584 0.193 0.000 1.103 104 A CA 0.465 52.658 52.037 0.261 0.000 0.789 104 A CB -0.031 19.097 19.000 0.213 0.000 1.035 104 A HN 0.822 nan 8.150 nan 0.000 0.491 105 T N -1.673 112.986 114.554 0.175 0.000 2.773 105 T HA 0.561 4.911 4.350 -0.000 0.000 0.278 105 T C -0.494 174.247 174.700 0.067 0.000 1.011 105 T CA -0.662 61.536 62.100 0.162 0.000 1.014 105 T CB 1.012 69.974 68.868 0.155 0.000 1.293 105 T HN 0.518 nan 8.240 nan 0.000 0.554 106 V N 2.020 121.955 119.914 0.035 0.000 2.222 106 V HA 0.593 4.712 4.120 -0.000 0.000 0.253 106 V C 1.270 177.371 176.094 0.012 0.000 1.210 106 V CA 0.574 62.840 62.300 -0.057 0.000 1.079 106 V CB -0.900 30.814 31.823 -0.182 0.000 1.265 106 V HN 1.490 nan 8.190 nan 0.000 0.494 107 G N 3.930 112.740 108.800 0.016 0.000 2.855 107 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.352 107 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.352 107 G C 0.858 175.787 174.900 0.048 0.000 1.415 107 G CA -0.160 44.958 45.100 0.031 0.000 0.871 107 G HN 0.973 nan 8.290 nan 0.000 0.543 108 G N -1.350 107.462 108.800 0.020 0.000 2.418 108 G HA2 0.021 3.981 3.960 -0.000 0.000 0.217 108 G HA3 0.021 3.981 3.960 -0.000 0.000 0.217 108 G C 1.920 176.861 174.900 0.068 0.000 1.158 108 G CA 2.389 47.492 45.100 0.005 0.000 0.771 108 G HN 1.338 nan 8.290 nan 0.000 0.545 109 T N 1.100 115.728 114.554 0.124 0.000 2.720 109 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 109 T C 2.484 177.290 174.700 0.176 0.000 1.037 109 T CA 1.547 63.782 62.100 0.226 0.000 1.144 109 T CB -0.636 68.396 68.868 0.273 0.000 0.864 109 T HN 0.364 nan 8.240 nan 0.000 0.444 110 G N 0.997 109.881 108.800 0.140 0.000 2.422 110 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.218 110 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.218 110 G C 1.819 176.810 174.900 0.151 0.000 1.146 110 G CA 0.904 46.097 45.100 0.154 0.000 0.769 110 G HN 0.597 nan 8.290 nan 0.000 0.547 111 A N 0.688 123.583 122.820 0.126 0.000 1.877 111 A HA 0.082 4.401 4.320 -0.000 0.000 0.216 111 A C 2.443 180.093 177.584 0.111 0.000 1.186 111 A CA 1.301 53.403 52.037 0.109 0.000 0.620 111 A CB -0.429 18.621 19.000 0.082 0.000 0.822 111 A HN 0.351 nan 8.150 nan 0.000 0.443 112 L N -1.082 120.219 121.223 0.130 0.000 2.017 112 L HA -0.212 4.127 4.340 -0.000 0.000 0.208 112 L C 2.783 179.739 176.870 0.143 0.000 1.073 112 L CA 1.883 56.812 54.840 0.147 0.000 0.745 112 L CB -0.510 41.686 42.059 0.228 0.000 0.894 112 L HN 0.430 nan 8.230 nan 0.000 0.432 113 R N 0.124 120.717 120.500 0.156 0.000 2.081 113 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 113 R C 2.300 178.672 176.300 0.120 0.000 1.131 113 R CA 1.455 57.643 56.100 0.147 0.000 0.960 113 R CB -0.376 30.020 30.300 0.160 0.000 0.856 113 R HN 0.297 nan 8.270 nan 0.000 0.436 114 Q N -0.040 119.828 119.800 0.115 0.000 2.119 114 Q HA -0.026 4.314 4.340 -0.000 0.000 0.201 114 Q C 2.078 178.125 176.000 0.079 0.000 0.972 114 Q CA 1.647 57.504 55.803 0.090 0.000 0.847 114 Q CB -0.405 28.388 28.738 0.092 0.000 0.903 114 Q HN 0.486 nan 8.270 nan 0.000 0.433 115 A N 0.701 123.571 122.820 0.083 0.000 1.902 115 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 115 A C 2.097 179.722 177.584 0.069 0.000 1.181 115 A CA 1.147 53.226 52.037 0.071 0.000 0.623 115 A CB -0.459 18.584 19.000 0.071 0.000 0.818 115 A HN 0.254 nan 8.150 nan 0.000 0.443 116 L N 0.027 121.296 121.223 0.077 0.000 2.093 116 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 116 L C 2.454 179.361 176.870 0.062 0.000 1.085 116 L CA 1.595 56.478 54.840 0.072 0.000 0.755 116 L CB -0.808 41.301 42.059 0.084 0.000 0.904 116 L HN 0.338 nan 8.230 nan 0.000 0.435 117 E N -0.632 119.607 120.200 0.066 0.000 2.047 117 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 117 E C 2.256 178.889 176.600 0.055 0.000 0.987 117 E CA 0.918 57.353 56.400 0.059 0.000 0.799 117 E CB -0.493 29.244 29.700 0.062 0.000 0.752 117 E HN 0.285 nan 8.360 nan 0.000 0.449 118 L N 1.065 122.322 121.223 0.057 0.000 1.989 118 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 118 L C 2.265 179.158 176.870 0.039 0.000 1.071 118 L CA 2.182 57.052 54.840 0.049 0.000 0.749 118 L CB -0.776 41.312 42.059 0.048 0.000 0.890 118 L HN 0.064 nan 8.230 nan 0.000 0.431 119 A N -0.451 122.394 122.820 0.042 0.000 1.865 119 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 119 A C 2.547 180.151 177.584 0.033 0.000 1.191 119 A CA 2.030 54.091 52.037 0.039 0.000 0.623 119 A CB -0.782 18.246 19.000 0.048 0.000 0.826 119 A HN 0.507 nan 8.150 nan 0.000 0.444 120 R N -0.997 119.523 120.500 0.034 0.000 2.159 120 R HA -0.103 4.237 4.340 -0.000 0.000 0.237 120 R C 2.112 178.423 176.300 0.019 0.000 1.131 120 R CA 1.676 57.791 56.100 0.025 0.000 0.982 120 R CB -0.295 30.019 30.300 0.023 0.000 0.868 120 R HN 0.597 nan 8.270 nan 0.000 0.453 121 M N -0.533 119.080 119.600 0.022 0.000 2.132 121 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 121 M C 2.383 178.684 176.300 0.001 0.000 1.065 121 M CA 1.782 57.089 55.300 0.012 0.000 1.122 121 M CB -0.122 32.486 32.600 0.014 0.000 1.365 121 M HN 0.293 nan 8.290 nan 0.000 0.411 122 A N -0.055 122.768 122.820 0.006 0.000 1.929 122 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 122 A C 0.922 178.510 177.584 0.006 0.000 1.176 122 A CA 1.303 53.342 52.037 0.002 0.000 0.628 122 A CB -0.280 18.724 19.000 0.008 0.000 0.816 122 A HN 0.508 nan 8.150 nan 0.000 0.444 123 N N -1.446 117.262 118.700 0.013 0.000 2.577 123 N HA 0.353 5.092 4.740 -0.000 0.000 0.275 123 N C -2.711 172.808 175.510 0.015 0.000 1.091 123 N CA -1.929 51.130 53.050 0.016 0.000 0.843 123 N CB 1.567 40.068 38.487 0.024 0.000 1.295 123 N HN -0.212 nan 8.380 nan 0.000 0.530 124 P HA -0.032 nan 4.420 nan 0.000 0.217 124 P C -0.174 177.131 177.300 0.008 0.000 1.150 124 P CA 1.127 64.231 63.100 0.006 0.000 0.832 124 P CB 0.270 31.971 31.700 0.001 0.000 0.787 125 D N -0.579 119.828 120.400 0.011 0.000 2.344 125 D HA 0.043 4.683 4.640 -0.000 0.000 0.242 125 D C 0.907 177.221 176.300 0.023 0.000 1.159 125 D CA -0.041 53.968 54.000 0.014 0.000 0.859 125 D CB -0.200 40.609 40.800 0.014 0.000 0.925 125 D HN 0.161 nan 8.370 nan 0.000 0.510 134 F N 3.982 124.007 119.950 0.125 0.000 2.415 134 F HA 0.781 5.308 4.527 -0.000 0.000 0.348 134 F C 0.395 176.350 175.800 0.257 0.000 1.119 134 F CA -0.663 57.462 58.000 0.209 0.000 1.069 134 F CB 1.927 41.088 39.000 0.269 0.000 1.124 134 F HN 0.449 nan 8.300 nan 0.000 0.472 135 V N -0.083 119.983 119.914 0.254 0.000 3.019 135 V HA 0.793 4.913 4.120 -0.000 0.000 0.317 135 V C -0.006 175.829 176.094 -0.431 0.000 1.094 135 V CA -1.082 61.260 62.300 0.071 0.000 1.000 135 V CB 1.311 33.161 31.823 0.046 0.000 1.060 135 V HN 0.747 nan 8.190 nan 0.000 0.443 136 S N 0.616 115.977 115.700 -0.566 0.000 2.617 136 S HA 0.409 4.879 4.470 -0.000 0.000 0.259 136 S C -0.335 174.025 174.600 -0.399 0.000 1.301 136 S CA -0.070 57.549 58.200 -0.968 0.000 0.984 136 S CB 0.960 63.768 63.200 -0.653 0.000 0.954 136 S HN 1.085 nan 8.310 nan 0.000 0.572 137 D N 1.350 121.604 120.400 -0.244 0.000 2.440 137 D HA 0.508 5.147 4.640 -0.000 0.000 0.252 137 D C -2.512 173.834 176.300 0.077 0.000 1.180 137 D CA -1.903 52.070 54.000 -0.045 0.000 0.894 137 D CB 1.654 42.450 40.800 -0.006 0.000 1.111 137 D HN 0.339 nan 8.370 nan 0.000 0.544 138 P HA 0.430 nan 4.420 nan 0.000 0.301 138 P C -0.516 176.809 177.300 0.041 0.000 1.309 138 P CA -0.346 62.763 63.100 0.015 0.000 0.782 138 P CB 1.927 33.618 31.700 -0.014 0.000 1.282 139 T N -2.322 112.268 114.554 0.059 0.000 2.769 139 T HA 0.291 4.641 4.350 -0.000 0.000 0.306 139 T C -1.878 172.921 174.700 0.166 0.000 1.400 139 T CA -0.475 61.718 62.100 0.156 0.000 1.007 139 T CB 0.111 69.201 68.868 0.370 0.000 1.392 139 T HN 0.327 nan 8.240 nan 0.000 0.500 140 W N 4.341 125.615 121.300 -0.044 0.000 2.611 140 W HA 0.227 4.887 4.660 -0.000 0.000 0.346 140 W C -2.040 174.350 176.519 -0.216 0.000 1.365 140 W CA -1.191 55.993 57.345 -0.269 0.000 1.313 140 W CB 0.125 29.211 29.460 -0.624 0.000 1.351 140 W HN 0.606 nan 8.180 nan 0.000 0.576 141 P HA -0.305 nan 4.420 nan 0.000 0.217 141 P C 1.055 178.110 177.300 -0.409 0.000 1.151 141 P CA 2.465 65.378 63.100 -0.312 0.000 0.849 141 P CB 0.274 31.781 31.700 -0.322 0.000 0.787 142 N N -2.017 116.162 118.700 -0.869 0.000 2.272 142 N HA -0.169 4.570 4.740 -0.000 0.000 0.185 142 N C 1.508 176.861 175.510 -0.262 0.000 1.014 142 N CA 1.053 53.629 53.050 -0.791 0.000 0.870 142 N CB -0.949 36.546 38.487 -1.652 0.000 0.975 142 N HN 0.457 nan 8.380 nan 0.000 0.433 143 H N -0.405 118.620 119.070 -0.074 0.000 2.267 143 H HA -0.059 4.497 4.556 -0.000 0.000 0.297 143 H C 1.850 177.198 175.328 0.033 0.000 1.080 143 H CA 1.415 57.524 56.048 0.102 0.000 1.278 143 H CB -0.013 29.855 29.762 0.175 0.000 1.365 143 H HN -0.037 nan 8.280 nan 0.000 0.489 144 V N 0.835 120.834 119.914 0.141 0.000 2.255 144 V HA -0.307 3.812 4.120 -0.000 0.000 0.247 144 V C 2.659 178.774 176.094 0.036 0.000 1.051 144 V CA 2.022 64.361 62.300 0.064 0.000 1.018 144 V CB -0.747 31.090 31.823 0.022 0.000 0.641 144 V HN 0.604 nan 8.190 nan 0.000 0.445 145 S N 0.232 115.923 115.700 -0.014 0.000 2.383 145 S HA -0.179 4.291 4.470 -0.000 0.000 0.229 145 S C 1.959 176.593 174.600 0.057 0.000 1.030 145 S CA 1.858 60.051 58.200 -0.013 0.000 1.002 145 S CB -0.730 62.414 63.200 -0.093 0.000 0.829 145 S HN 0.547 nan 8.310 nan 0.000 0.467 146 I N 1.083 121.693 120.570 0.067 0.000 2.252 146 I HA -0.163 4.006 4.170 -0.000 0.000 0.245 146 I C 2.808 179.039 176.117 0.189 0.000 1.102 146 I CA 1.506 62.895 61.300 0.149 0.000 1.385 146 I CB -0.382 37.706 38.000 0.146 0.000 1.064 146 I HN 0.311 nan 8.210 nan 0.000 0.414 147 M N 0.245 119.923 119.600 0.130 0.000 2.067 147 M HA -0.204 4.276 4.480 -0.000 0.000 0.260 147 M C 2.100 178.446 176.300 0.078 0.000 1.069 147 M CA 1.798 57.154 55.300 0.093 0.000 1.117 147 M CB -0.600 32.041 32.600 0.069 0.000 1.334 147 M HN 0.204 nan 8.290 nan 0.000 0.407 148 N N 0.414 119.162 118.700 0.080 0.000 2.061 148 N HA -0.194 4.546 4.740 -0.000 0.000 0.193 148 N C 1.509 177.078 175.510 0.099 0.000 1.030 148 N CA 1.417 54.507 53.050 0.067 0.000 0.856 148 N CB -0.634 37.889 38.487 0.060 0.000 1.023 148 N HN 0.288 nan 8.380 nan 0.000 0.424 149 F N 1.135 121.083 119.950 -0.002 0.000 2.171 149 F HA -0.019 4.508 4.527 -0.000 0.000 0.300 149 F C 2.100 177.904 175.800 0.007 0.000 1.090 149 F CA 1.189 59.189 58.000 0.000 0.000 1.293 149 F CB -0.222 38.778 39.000 0.001 0.000 1.013 149 F HN -0.018 nan 8.300 nan 0.000 0.486 150 M N -0.535 119.015 119.600 -0.083 0.000 2.492 150 M HA 0.142 4.622 4.480 -0.000 0.000 0.262 150 M C 1.652 177.866 176.300 -0.143 0.000 1.090 150 M CA 1.094 56.285 55.300 -0.181 0.000 1.110 150 M CB -0.400 32.186 32.600 -0.024 0.000 1.407 150 M HN 0.377 nan 8.290 nan 0.000 0.470 151 G N 1.190 109.939 108.800 -0.084 0.000 2.143 151 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.249 151 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.249 151 G C 0.139 175.017 174.900 -0.037 0.000 0.981 151 G CA -0.207 44.855 45.100 -0.062 0.000 0.665 151 G HN 0.367 nan 8.290 nan 0.000 0.528 155 V N 1.900 121.757 119.914 -0.095 0.000 2.531 155 V HA 0.635 4.755 4.120 -0.000 0.000 0.301 155 V C -0.377 175.611 176.094 -0.177 0.000 1.034 155 V CA -0.383 61.847 62.300 -0.117 0.000 0.865 155 V CB 1.990 33.783 31.823 -0.050 0.000 0.995 155 V HN 0.595 nan 8.190 nan 0.000 0.424 156 Q N 1.425 121.040 119.800 -0.309 0.000 2.359 156 Q HA 0.740 5.080 4.340 -0.000 0.000 0.275 156 Q C -0.595 175.316 176.000 -0.149 0.000 1.082 156 Q CA -0.244 55.353 55.803 -0.343 0.000 0.849 156 Q CB 2.414 30.628 28.738 -0.873 0.000 1.377 156 Q HN 0.804 nan 8.270 nan 0.000 0.452 157 T N 1.620 116.165 114.554 -0.016 0.000 2.863 157 T HA 0.595 4.945 4.350 -0.000 0.000 0.285 157 T C -1.592 173.238 174.700 0.217 0.000 1.009 157 T CA -0.415 61.717 62.100 0.052 0.000 0.989 157 T CB 0.399 69.268 68.868 0.001 0.000 1.004 157 T HN 0.449 nan 8.240 nan 0.000 0.455 158 Y N 0.278 120.697 120.300 0.198 0.000 2.409 158 Y HA 0.752 5.301 4.550 -0.000 0.000 0.343 158 Y C 0.113 176.101 175.900 0.147 0.000 0.973 158 Y CA -1.622 56.586 58.100 0.179 0.000 1.064 158 Y CB 0.723 39.292 38.460 0.182 0.000 1.207 158 Y HN 0.419 nan 8.280 nan 0.000 0.452 159 R N 1.943 122.603 120.500 0.267 0.000 2.697 159 R HA 0.050 4.390 4.340 -0.000 0.000 0.265 159 R C -0.833 175.641 176.300 0.289 0.000 1.009 159 R CA 0.942 57.153 56.100 0.186 0.000 1.099 159 R CB 0.210 30.577 30.300 0.111 0.000 0.965 159 R HN 0.974 nan 8.270 nan 0.000 0.428 160 Y N 1.313 121.646 120.300 0.055 0.000 3.140 160 Y HA 0.160 4.710 4.550 -0.000 0.000 0.142 160 Y C -0.578 175.352 175.900 0.051 0.000 0.918 160 Y CA -0.423 57.703 58.100 0.044 0.000 1.896 160 Y CB 0.166 38.587 38.460 -0.065 0.000 1.328 160 Y HN 0.466 nan 8.280 nan 0.000 0.257 161 F N 3.240 123.266 119.950 0.127 0.000 2.484 161 F HA 0.280 4.806 4.527 -0.000 0.000 0.360 161 F C -0.258 175.519 175.800 -0.039 0.000 1.101 161 F CA -0.226 57.782 58.000 0.013 0.000 1.251 161 F CB 0.547 39.592 39.000 0.075 0.000 1.132 161 F HN 0.212 nan 8.300 nan 0.000 0.570 162 D N 4.548 124.594 120.400 -0.591 0.000 2.454 162 D HA 0.415 5.055 4.640 -0.000 0.000 0.225 162 D C 0.669 176.576 176.300 -0.654 0.000 1.081 162 D CA -0.015 53.722 54.000 -0.438 0.000 0.864 162 D CB 1.257 41.851 40.800 -0.343 0.000 1.040 162 D HN 0.645 nan 8.370 nan 0.000 0.517 163 A N 3.698 126.329 122.820 -0.315 0.000 2.084 163 A HA -0.223 4.097 4.320 -0.000 0.000 0.221 163 A C 1.864 179.316 177.584 -0.220 0.000 1.161 163 A CA 1.514 53.450 52.037 -0.167 0.000 0.653 163 A CB -0.397 18.626 19.000 0.037 0.000 0.802 163 A HN 0.734 nan 8.150 nan 0.000 0.457 164 E N -0.588 119.475 120.200 -0.229 0.000 2.076 164 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 164 E C 1.864 178.314 176.600 -0.249 0.000 0.979 164 E CA 1.553 57.839 56.400 -0.191 0.000 0.807 164 E CB -0.010 29.607 29.700 -0.138 0.000 0.761 164 E HN 0.680 nan 8.360 nan 0.000 0.454 165 T N -2.639 111.727 114.554 -0.313 0.000 3.040 165 T HA 0.219 4.569 4.350 -0.000 0.000 0.250 165 T C 0.604 175.029 174.700 -0.457 0.000 1.058 165 T CA 0.044 61.964 62.100 -0.299 0.000 0.988 165 T CB 0.189 68.926 68.868 -0.218 0.000 0.993 165 T HN 0.082 nan 8.240 nan 0.000 0.519 166 R N 0.334 120.405 120.500 -0.716 0.000 3.875 166 R HA -0.095 4.244 4.340 -0.000 0.000 0.321 166 R C 0.676 176.657 176.300 -0.531 0.000 1.196 166 R CA 0.843 56.371 56.100 -0.953 0.000 0.868 166 R CB -2.173 27.420 30.300 -1.178 0.000 1.333 166 R HN 0.749 nan 8.270 nan 0.000 0.522 167 G N -1.671 106.839 108.800 -0.484 0.000 2.990 167 G HA2 0.603 4.563 3.960 -0.000 0.000 0.208 167 G HA3 0.603 4.563 3.960 -0.000 0.000 0.208 167 G C -0.861 173.851 174.900 -0.312 0.000 1.334 167 G CA -0.286 44.684 45.100 -0.217 0.000 1.024 167 G HN 0.040 nan 8.290 nan 0.000 0.574 168 V N 1.177 120.933 119.914 -0.263 0.000 2.364 168 V HA 0.191 4.311 4.120 -0.000 0.000 0.272 168 V C -0.341 175.613 176.094 -0.234 0.000 1.036 168 V CA -0.405 61.666 62.300 -0.381 0.000 0.880 168 V CB 1.284 32.845 31.823 -0.437 0.000 0.991 168 V HN 0.703 nan 8.190 nan 0.000 0.460 169 D N 3.867 124.135 120.400 -0.219 0.000 2.600 169 D HA 0.009 4.649 4.640 -0.000 0.000 0.226 169 D C 0.908 177.188 176.300 -0.034 0.000 1.119 169 D CA -0.102 53.834 54.000 -0.107 0.000 1.051 169 D CB -0.140 40.606 40.800 -0.090 0.000 1.106 169 D HN 0.421 nan 8.370 nan 0.000 0.491 170 F N 1.727 121.570 119.950 -0.177 0.000 2.126 170 F HA -0.151 4.376 4.527 -0.000 0.000 0.299 170 F C 1.969 177.713 175.800 -0.093 0.000 1.096 170 F CA 1.248 59.159 58.000 -0.148 0.000 1.255 170 F CB 0.267 39.178 39.000 -0.148 0.000 0.997 170 F HN 0.250 nan 8.300 nan 0.000 0.479 171 E N -0.041 120.133 120.200 -0.044 0.000 2.077 171 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 171 E C 2.546 179.061 176.600 -0.142 0.000 0.989 171 E CA 1.203 57.535 56.400 -0.114 0.000 0.800 171 E CB -1.125 28.551 29.700 -0.039 0.000 0.746 171 E HN 0.502 nan 8.360 nan 0.000 0.452 172 G N 1.105 109.853 108.800 -0.087 0.000 2.402 172 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 172 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 172 G C 1.638 176.509 174.900 -0.048 0.000 1.162 172 G CA 0.902 45.973 45.100 -0.048 0.000 0.777 172 G HN 0.199 nan 8.290 nan 0.000 0.539 173 M N 0.198 119.746 119.600 -0.086 0.000 2.067 173 M HA -0.036 4.444 4.480 -0.000 0.000 0.260 173 M C 2.576 178.724 176.300 -0.254 0.000 1.069 173 M CA 1.729 56.989 55.300 -0.067 0.000 1.117 173 M CB -0.162 32.383 32.600 -0.092 0.000 1.334 173 M HN 0.113 nan 8.290 nan 0.000 0.407 174 K N 0.189 120.317 120.400 -0.452 0.000 2.057 174 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 174 K C 2.037 178.494 176.600 -0.239 0.000 1.049 174 K CA 1.495 57.526 56.287 -0.427 0.000 0.931 174 K CB -0.396 31.788 32.500 -0.526 0.000 0.714 174 K HN 0.470 nan 8.250 nan 0.000 0.440 175 A N 2.097 124.814 122.820 -0.171 0.000 1.908 175 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 175 A C 1.656 179.202 177.584 -0.062 0.000 1.181 175 A CA 2.074 54.053 52.037 -0.096 0.000 0.627 175 A CB -0.417 18.546 19.000 -0.062 0.000 0.818 175 A HN 0.212 nan 8.150 nan 0.000 0.445 176 D N -0.170 120.211 120.400 -0.033 0.000 2.137 176 D HA -0.036 4.603 4.640 -0.000 0.000 0.202 176 D C 1.927 178.203 176.300 -0.040 0.000 0.970 176 D CA 0.678 54.702 54.000 0.041 0.000 0.837 176 D CB -0.351 40.545 40.800 0.160 0.000 0.981 176 D HN 0.402 nan 8.370 nan 0.000 0.475 177 L N 0.895 122.014 121.223 -0.173 0.000 2.265 177 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 177 L C 2.332 179.011 176.870 -0.319 0.000 1.117 177 L CA 0.597 55.221 54.840 -0.359 0.000 0.782 177 L CB -0.308 41.501 42.059 -0.417 0.000 0.914 177 L HN -0.023 nan 8.230 nan 0.000 0.441 178 A N -0.090 122.611 122.820 -0.199 0.000 2.070 178 A HA -0.110 4.210 4.320 -0.000 0.000 0.220 178 A C 2.388 179.902 177.584 -0.116 0.000 1.159 178 A CA 1.477 53.428 52.037 -0.145 0.000 0.656 178 A CB -0.385 18.555 19.000 -0.101 0.000 0.800 178 A HN 0.412 nan 8.150 nan 0.000 0.453 179 A N -0.462 122.300 122.820 -0.097 0.000 2.167 179 A HA 0.538 4.858 4.320 -0.000 0.000 0.214 179 A C 1.419 178.986 177.584 -0.028 0.000 1.151 179 A CA 0.707 52.738 52.037 -0.010 0.000 0.735 179 A CB -0.796 18.266 19.000 0.104 0.000 0.802 179 A HN 0.992 nan 8.150 nan 0.000 0.467 180 A N 0.557 123.193 122.820 -0.306 0.000 2.520 180 A HA 0.440 4.760 4.320 -0.000 0.000 0.235 180 A C 0.399 177.931 177.584 -0.086 0.000 1.065 180 A CA 0.136 51.951 52.037 -0.369 0.000 0.764 180 A CB 0.232 18.802 19.000 -0.717 0.000 1.002 180 A HN 0.271 nan 8.150 nan 0.000 0.502 181 K N 0.964 121.384 120.400 0.034 0.000 2.288 181 K HA 0.349 4.669 4.320 -0.000 0.000 0.234 181 K C -0.000 176.615 176.600 0.025 0.000 1.037 181 K CA -0.917 55.389 56.287 0.033 0.000 0.914 181 K CB 0.678 33.217 32.500 0.066 0.000 1.197 181 K HN 0.731 nan 8.250 nan 0.000 0.471 182 K N 0.327 120.739 120.400 0.020 0.000 2.412 182 K HA 0.102 4.422 4.320 -0.000 0.000 0.281 182 K C 0.601 177.221 176.600 0.034 0.000 1.027 182 K CA 1.304 57.602 56.287 0.018 0.000 0.989 182 K CB -0.037 32.471 32.500 0.013 0.000 0.935 182 K HN 0.740 nan 8.250 nan 0.000 0.475 183 G N 3.273 112.094 108.800 0.035 0.000 2.217 183 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.246 183 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.246 183 G C -0.155 174.787 174.900 0.070 0.000 0.990 183 G CA 0.205 45.332 45.100 0.045 0.000 0.627 183 G HN 0.700 nan 8.290 nan 0.000 0.522 184 D N 0.248 120.706 120.400 0.096 0.000 2.357 184 D HA 0.503 5.143 4.640 -0.000 0.000 0.242 184 D C 0.659 177.050 176.300 0.152 0.000 1.153 184 D CA 0.120 54.221 54.000 0.168 0.000 0.918 184 D CB 0.885 41.861 40.800 0.293 0.000 1.181 184 D HN 0.375 nan 8.370 nan 0.000 0.435 185 M N 1.378 121.101 119.600 0.204 0.000 2.227 185 M HA 0.361 4.841 4.480 -0.000 0.000 0.335 185 M C -1.636 174.813 176.300 0.248 0.000 1.053 185 M CA -0.697 54.705 55.300 0.170 0.000 0.973 185 M CB 1.289 33.968 32.600 0.131 0.000 1.623 185 M HN -0.037 nan 8.290 nan 0.000 0.434 186 V N 6.540 126.557 119.914 0.171 0.000 2.357 186 V HA 0.373 4.493 4.120 -0.000 0.000 0.284 186 V C -0.375 175.839 176.094 0.199 0.000 1.018 186 V CA -0.716 61.699 62.300 0.192 0.000 0.841 186 V CB 1.518 33.348 31.823 0.012 0.000 0.991 186 V HN 0.811 nan 8.190 nan 0.000 0.437 187 L N 6.345 127.728 121.223 0.267 0.000 2.281 187 L HA 0.475 4.815 4.340 -0.000 0.000 0.285 187 L C -1.166 175.896 176.870 0.319 0.000 1.074 187 L CA -0.366 54.592 54.840 0.196 0.000 0.817 187 L CB 0.823 42.911 42.059 0.049 0.000 1.168 187 L HN 0.403 nan 8.230 nan 0.000 0.434 188 L N 4.858 126.257 121.223 0.294 0.000 2.362 188 L HA 0.436 4.776 4.340 -0.000 0.000 0.271 188 L C -0.175 176.959 176.870 0.440 0.000 1.002 188 L CA -0.512 54.582 54.840 0.424 0.000 0.818 188 L CB 1.665 43.999 42.059 0.458 0.000 1.298 188 L HN 0.528 nan 8.230 nan 0.000 0.420 189 H N 1.951 121.227 119.070 0.342 0.000 2.652 189 H HA 0.149 4.705 4.556 -0.000 0.000 0.298 189 H C 0.938 176.541 175.328 0.457 0.000 1.076 189 H CA 0.069 56.315 56.048 0.329 0.000 1.360 189 H CB 1.609 31.554 29.762 0.304 0.000 1.421 189 H HN 0.894 nan 8.280 nan 0.000 0.464 190 G N 2.950 112.037 108.800 0.478 0.000 2.462 190 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.220 190 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.220 190 G C 0.572 175.774 174.900 0.502 0.000 1.121 190 G CA 1.052 46.424 45.100 0.452 0.000 0.758 190 G HN 0.769 nan 8.290 nan 0.000 0.559 191 C N -5.198 114.365 119.300 0.439 0.000 3.231 191 C HA 0.480 4.940 4.460 -0.000 0.000 0.343 191 C C 0.364 175.553 174.990 0.332 0.000 1.349 191 C CA -1.071 58.175 59.018 0.380 0.000 1.209 191 C CB 0.517 28.430 27.740 0.290 0.000 1.475 191 C HN 0.768 nan 8.230 nan 0.000 0.460 192 C N 2.449 121.895 119.300 0.244 0.000 3.112 192 C HA -0.136 4.324 4.460 -0.000 0.000 0.265 192 C C 0.620 175.681 174.990 0.119 0.000 1.283 192 C CA 1.229 60.312 59.018 0.108 0.000 2.378 192 C CB -3.108 24.610 27.740 -0.037 0.000 1.500 192 C HN 1.199 nan 8.230 nan 0.000 0.483 193 H N 2.157 121.282 119.070 0.092 0.000 3.145 193 H HA 0.042 4.598 4.556 -0.000 0.000 0.288 193 H C 0.568 175.884 175.328 -0.019 0.000 0.969 193 H CA 0.963 57.014 56.048 0.005 0.000 1.444 193 H CB 0.427 30.123 29.762 -0.110 0.000 1.500 193 H HN 0.698 nan 8.280 nan 0.000 0.552 194 N N 7.235 125.771 118.700 -0.274 0.000 2.434 194 N HA 0.106 4.846 4.740 -0.000 0.000 0.272 194 N C -1.902 173.374 175.510 -0.389 0.000 1.040 194 N CA -2.238 50.724 53.050 -0.147 0.000 0.956 194 N CB 1.496 40.010 38.487 0.045 0.000 1.108 194 N HN 0.390 nan 8.380 nan 0.000 0.481 195 P HA 0.028 nan 4.420 nan 0.000 0.252 195 P C 0.952 178.193 177.300 -0.097 0.000 1.218 195 P CA 0.523 63.508 63.100 -0.193 0.000 0.807 195 P CB 0.254 31.819 31.700 -0.225 0.000 1.072 196 T N -2.625 111.899 114.554 -0.050 0.000 2.674 196 T HA 0.011 4.361 4.350 -0.000 0.000 0.265 196 T C 1.862 176.453 174.700 -0.182 0.000 1.039 196 T CA 2.108 64.106 62.100 -0.170 0.000 1.150 196 T CB -1.500 67.327 68.868 -0.069 0.000 0.864 196 T HN 0.217 nan 8.240 nan 0.000 0.427 197 G N 1.343 110.102 108.800 -0.067 0.000 2.195 197 G HA2 0.023 3.983 3.960 -0.000 0.000 0.246 197 G HA3 0.023 3.983 3.960 -0.000 0.000 0.246 197 G C 0.244 174.984 174.900 -0.267 0.000 0.984 197 G CA 0.057 45.055 45.100 -0.170 0.000 0.633 197 G HN 1.347 nan 8.290 nan 0.000 0.525 198 A N 0.500 123.215 122.820 -0.174 0.000 2.309 198 A HA 0.697 5.017 4.320 -0.000 0.000 0.290 198 A C 0.285 177.958 177.584 0.148 0.000 1.206 198 A CA -0.186 51.883 52.037 0.052 0.000 0.850 198 A CB 0.326 19.436 19.000 0.183 0.000 1.118 198 A HN 0.366 nan 8.150 nan 0.000 0.523 199 N N 1.297 120.068 118.700 0.119 0.000 2.545 199 N HA 0.531 5.271 4.740 -0.000 0.000 0.289 199 N C -1.089 174.413 175.510 -0.013 0.000 1.279 199 N CA -0.583 52.543 53.050 0.126 0.000 0.824 199 N CB 1.446 40.047 38.487 0.190 0.000 1.395 199 N HN 0.532 nan 8.380 nan 0.000 0.526 200 L N 0.997 122.173 121.223 -0.079 0.000 2.312 200 L HA 0.320 4.659 4.340 -0.000 0.000 0.281 200 L C 1.014 177.826 176.870 -0.096 0.000 1.070 200 L CA -0.656 54.008 54.840 -0.294 0.000 0.805 200 L CB 0.983 42.579 42.059 -0.772 0.000 1.174 200 L HN 0.592 nan 8.230 nan 0.000 0.434 201 T N -0.753 113.726 114.554 -0.126 0.000 2.899 201 T HA 0.133 4.483 4.350 -0.000 0.000 0.295 201 T C 1.036 175.811 174.700 0.125 0.000 1.033 201 T CA -0.803 61.302 62.100 0.008 0.000 1.084 201 T CB 1.318 70.145 68.868 -0.068 0.000 0.979 201 T HN 0.434 nan 8.240 nan 0.000 0.532 202 L N 0.837 122.186 121.223 0.210 0.000 2.197 202 L HA -0.130 4.210 4.340 -0.000 0.000 0.215 202 L C 1.990 178.968 176.870 0.180 0.000 1.095 202 L CA 1.829 56.821 54.840 0.253 0.000 0.764 202 L CB -0.988 41.146 42.059 0.124 0.000 0.897 202 L HN 0.744 nan 8.230 nan 0.000 0.436 203 D N -1.254 119.184 120.400 0.064 0.000 2.123 203 D HA -0.176 4.464 4.640 -0.000 0.000 0.200 203 D C 2.085 178.375 176.300 -0.017 0.000 0.976 203 D CA 1.126 55.137 54.000 0.019 0.000 0.831 203 D CB 0.099 40.882 40.800 -0.029 0.000 0.974 203 D HN 0.539 nan 8.370 nan 0.000 0.469 204 Q N -0.614 119.072 119.800 -0.190 0.000 2.119 204 Q HA -0.143 4.197 4.340 -0.000 0.000 0.201 204 Q C 2.131 178.122 176.000 -0.015 0.000 0.972 204 Q CA 0.966 56.485 55.803 -0.474 0.000 0.847 204 Q CB -0.118 27.912 28.738 -1.180 0.000 0.903 204 Q HN 0.412 nan 8.270 nan 0.000 0.433 205 W N 0.544 121.836 121.300 -0.013 0.000 2.338 205 W HA -0.214 4.446 4.660 -0.000 0.000 0.304 205 W C 2.482 179.046 176.519 0.074 0.000 1.212 205 W CA 0.973 58.358 57.345 0.066 0.000 1.264 205 W CB -0.103 29.384 29.460 0.046 0.000 1.142 205 W HN 0.174 nan 8.180 nan 0.000 0.512 206 A N 0.098 123.096 122.820 0.296 0.000 1.933 206 A HA -0.223 4.096 4.320 -0.000 0.000 0.218 206 A C 1.719 179.403 177.584 0.167 0.000 1.175 206 A CA 1.842 53.991 52.037 0.186 0.000 0.628 206 A CB -0.669 18.404 19.000 0.121 0.000 0.814 206 A HN 0.392 nan 8.150 nan 0.000 0.444 207 E N -0.410 119.908 120.200 0.197 0.000 2.107 207 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 207 E C 1.834 178.531 176.600 0.162 0.000 0.982 207 E CA 0.798 57.313 56.400 0.192 0.000 0.809 207 E CB -0.173 29.708 29.700 0.302 0.000 0.756 207 E HN 0.497 nan 8.360 nan 0.000 0.459 208 I N 1.439 122.144 120.570 0.226 0.000 2.208 208 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 208 I C 2.528 178.710 176.117 0.108 0.000 1.097 208 I CA 1.198 62.575 61.300 0.128 0.000 1.363 208 I CB -1.454 36.645 38.000 0.164 0.000 1.051 208 I HN 0.024 nan 8.210 nan 0.000 0.413 209 A N 0.574 123.493 122.820 0.165 0.000 1.883 209 A HA -0.221 4.098 4.320 -0.000 0.000 0.217 209 A C 2.587 180.208 177.584 0.063 0.000 1.186 209 A CA 2.388 54.496 52.037 0.119 0.000 0.624 209 A CB -0.876 18.197 19.000 0.122 0.000 0.822 209 A HN 0.462 nan 8.150 nan 0.000 0.444 210 S N 0.074 115.809 115.700 0.059 0.000 2.359 210 S HA -0.162 4.307 4.470 -0.000 0.000 0.224 210 S C 1.793 176.394 174.600 0.002 0.000 1.035 210 S CA 1.654 59.871 58.200 0.030 0.000 1.018 210 S CB -0.598 62.622 63.200 0.033 0.000 0.876 210 S HN 0.571 nan 8.310 nan 0.000 0.448 211 I N 1.236 121.796 120.570 -0.015 0.000 2.286 211 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 211 I C 2.131 178.212 176.117 -0.060 0.000 1.115 211 I CA 1.072 62.337 61.300 -0.059 0.000 1.392 211 I CB -0.466 37.468 38.000 -0.109 0.000 1.065 211 I HN 0.213 nan 8.210 nan 0.000 0.418 212 L N 0.448 121.648 121.223 -0.038 0.000 2.056 212 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 212 L C 2.603 179.461 176.870 -0.019 0.000 1.078 212 L CA 1.433 56.253 54.840 -0.033 0.000 0.749 212 L CB -0.511 41.548 42.059 -0.001 0.000 0.901 212 L HN 0.251 nan 8.230 nan 0.000 0.433 213 E N 0.105 120.302 120.200 -0.004 0.000 2.058 213 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 213 E C 2.114 178.707 176.600 -0.010 0.000 0.997 213 E CA 1.296 57.695 56.400 -0.001 0.000 0.801 213 E CB -0.149 29.555 29.700 0.006 0.000 0.746 213 E HN 0.334 nan 8.360 nan 0.000 0.450 214 K N 0.818 121.208 120.400 -0.017 0.000 2.009 214 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 214 K C 2.290 178.872 176.600 -0.029 0.000 1.049 214 K CA 2.138 58.411 56.287 -0.023 0.000 0.929 214 K CB -0.241 32.242 32.500 -0.029 0.000 0.714 214 K HN 0.232 nan 8.250 nan 0.000 0.440 215 T N -3.286 111.242 114.554 -0.044 0.000 3.023 215 T HA 0.112 4.462 4.350 -0.000 0.000 0.266 215 T C 1.445 176.125 174.700 -0.033 0.000 1.093 215 T CA 0.905 62.974 62.100 -0.051 0.000 1.129 215 T CB -0.216 68.596 68.868 -0.095 0.000 0.899 215 T HN 0.482 nan 8.240 nan 0.000 0.491 216 G N 1.485 110.271 108.800 -0.024 0.000 2.143 216 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.248 216 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.248 216 G C 0.238 175.135 174.900 -0.005 0.000 0.991 216 G CA 0.029 45.123 45.100 -0.010 0.000 0.689 216 G HN 1.189 nan 8.290 nan 0.000 0.522 217 A N -0.543 122.264 122.820 -0.021 0.000 2.371 217 A HA 0.720 5.040 4.320 -0.000 0.000 0.257 217 A C 0.304 177.894 177.584 0.010 0.000 1.089 217 A CA 0.024 52.054 52.037 -0.011 0.000 0.794 217 A CB 0.873 19.833 19.000 -0.066 0.000 1.029 217 A HN 1.525 nan 8.150 nan 0.000 0.488 218 L N 4.402 125.645 121.223 0.034 0.000 2.265 218 L HA 0.520 4.860 4.340 -0.000 0.000 0.288 218 L C -2.217 174.687 176.870 0.057 0.000 1.058 218 L CA -1.864 53.001 54.840 0.042 0.000 0.809 218 L CB 1.134 43.221 42.059 0.046 0.000 1.179 218 L HN 0.433 nan 8.230 nan 0.000 0.429 219 P HA 0.219 nan 4.420 nan 0.000 0.290 219 P C -1.373 175.979 177.300 0.087 0.000 1.276 219 P CA -0.571 62.580 63.100 0.084 0.000 0.808 219 P CB 1.722 33.481 31.700 0.098 0.000 0.966 220 L N 5.117 126.400 121.223 0.100 0.000 2.316 220 L HA 0.474 4.814 4.340 -0.000 0.000 0.280 220 L C -0.795 176.135 176.870 0.100 0.000 1.006 220 L CA -0.635 54.255 54.840 0.083 0.000 0.836 220 L CB 0.518 42.618 42.059 0.068 0.000 1.221 220 L HN 0.224 nan 8.230 nan 0.000 0.418 221 I N 4.427 125.054 120.570 0.094 0.000 2.312 221 I HA 0.277 4.447 4.170 -0.000 0.000 0.290 221 I C -0.393 175.769 176.117 0.075 0.000 1.008 221 I CA -0.461 60.911 61.300 0.120 0.000 1.226 221 I CB 1.310 39.379 38.000 0.116 0.000 1.371 221 I HN 0.519 nan 8.210 nan 0.000 0.468 222 D N 7.268 127.702 120.400 0.057 0.000 2.393 222 D HA 0.210 4.850 4.640 -0.000 0.000 0.232 222 D C -0.923 175.394 176.300 0.028 0.000 1.192 222 D CA -0.285 53.712 54.000 -0.006 0.000 0.882 222 D CB 0.988 41.721 40.800 -0.111 0.000 1.038 222 D HN 0.224 nan 8.370 nan 0.000 0.499 223 L N 4.016 125.256 121.223 0.027 0.000 2.360 223 L HA 0.518 4.858 4.340 -0.000 0.000 0.265 223 L C 0.604 177.473 176.870 -0.001 0.000 1.066 223 L CA -0.210 54.664 54.840 0.057 0.000 0.929 223 L CB 0.903 42.997 42.059 0.059 0.000 1.306 223 L HN 0.443 nan 8.230 nan 0.000 0.434 224 A N 3.505 126.295 122.820 -0.049 0.000 2.343 224 A HA 0.230 4.550 4.320 -0.000 0.000 0.223 224 A C 0.320 177.655 177.584 -0.415 0.000 1.214 224 A CA 0.271 52.139 52.037 -0.281 0.000 0.900 224 A CB 0.034 18.719 19.000 -0.526 0.000 0.942 224 A HN 0.613 nan 8.150 nan 0.000 0.507 225 Y N 0.067 120.413 120.300 0.077 0.000 2.698 225 Y HA 0.299 4.849 4.550 -0.000 0.000 0.261 225 Y C 0.571 176.645 175.900 0.291 0.000 1.104 225 Y CA -0.671 57.530 58.100 0.169 0.000 1.145 225 Y CB 0.117 38.599 38.460 0.037 0.000 1.191 225 Y HN 0.352 nan 8.280 nan 0.000 0.564 226 Q N 1.020 121.003 119.800 0.305 0.000 2.244 226 Q HA 0.328 4.667 4.340 -0.000 0.000 0.278 226 Q C 1.078 177.176 176.000 0.163 0.000 1.093 226 Q CA 1.408 57.340 55.803 0.215 0.000 0.916 226 Q CB 0.147 28.980 28.738 0.157 0.000 1.159 226 Q HN 0.815 nan 8.270 nan 0.000 0.384 227 G N 3.342 112.187 108.800 0.076 0.000 2.231 227 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.206 227 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.206 227 G C 0.147 174.915 174.900 -0.220 0.000 0.996 227 G CA -0.014 45.001 45.100 -0.142 0.000 0.645 227 G HN 0.654 nan 8.290 nan 0.000 0.498 228 F N 1.503 121.450 119.950 -0.005 0.000 2.746 228 F HA 0.390 4.917 4.527 -0.000 0.000 0.297 228 F C 2.339 178.128 175.800 -0.018 0.000 1.113 228 F CA 1.101 59.090 58.000 -0.018 0.000 1.367 228 F CB 0.391 39.423 39.000 0.054 0.000 1.111 228 F HN 0.324 nan 8.300 nan 0.000 0.590 229 G N -0.341 108.563 108.800 0.172 0.000 2.542 229 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.211 229 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.211 229 G C 0.903 175.841 174.900 0.063 0.000 1.702 229 G CA 0.382 45.553 45.100 0.118 0.000 0.935 229 G HN 0.091 nan 8.290 nan 0.000 0.509 230 D N 0.304 120.736 120.400 0.053 0.000 2.379 230 D HA 0.339 4.979 4.640 -0.000 0.000 0.208 230 D C 1.069 177.361 176.300 -0.012 0.000 1.065 230 D CA 0.981 54.995 54.000 0.023 0.000 0.848 230 D CB 1.654 42.477 40.800 0.037 0.000 0.949 230 D HN 0.526 nan 8.370 nan 0.000 0.509 234 E N 1.272 121.460 120.200 -0.019 0.000 2.051 234 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 234 E C 1.605 178.199 176.600 -0.010 0.000 0.991 234 E CA 1.713 58.106 56.400 -0.012 0.000 0.799 234 E CB 0.059 29.749 29.700 -0.017 0.000 0.748 234 E HN 0.416 nan 8.360 nan 0.000 0.449 235 E N 1.084 121.281 120.200 -0.006 0.000 2.097 235 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 235 E C 1.656 178.273 176.600 0.028 0.000 1.000 235 E CA 1.449 57.855 56.400 0.010 0.000 0.804 235 E CB -0.165 29.544 29.700 0.015 0.000 0.740 235 E HN 0.204 nan 8.360 nan 0.000 0.454 236 D N -0.580 119.845 120.400 0.041 0.000 2.312 236 D HA -0.026 4.614 4.640 -0.000 0.000 0.211 236 D C 1.329 177.657 176.300 0.047 0.000 0.964 236 D CA 1.098 55.146 54.000 0.079 0.000 0.877 236 D CB -0.068 40.796 40.800 0.107 0.000 0.924 236 D HN 0.222 nan 8.370 nan 0.000 0.515 237 A N 0.300 123.123 122.820 0.005 0.000 2.238 237 A HA 0.387 4.707 4.320 -0.000 0.000 0.210 237 A C 2.142 179.661 177.584 -0.108 0.000 1.179 237 A CA 0.838 52.853 52.037 -0.036 0.000 0.827 237 A CB -0.091 18.897 19.000 -0.019 0.000 0.856 237 A HN 0.147 nan 8.150 nan 0.000 0.488 238 A N 0.266 123.024 122.820 -0.104 0.000 1.873 238 A HA 0.010 4.329 4.320 -0.000 0.000 0.218 238 A C 2.385 179.766 177.584 -0.338 0.000 1.193 238 A CA 2.062 54.008 52.037 -0.151 0.000 0.629 238 A CB -1.445 17.508 19.000 -0.079 0.000 0.826 238 A HN 0.755 nan 8.150 nan 0.000 0.447 239 G N -1.443 107.000 108.800 -0.596 0.000 2.442 239 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 239 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 239 G C 1.556 175.768 174.900 -1.147 0.000 1.141 239 G CA 1.737 45.917 45.100 -1.534 0.000 0.763 239 G HN 0.467 nan 8.290 nan 0.000 0.554 240 T N 0.622 114.789 114.554 -0.645 0.000 2.777 240 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 240 T C 2.490 177.042 174.700 -0.246 0.000 1.040 240 T CA 1.084 62.966 62.100 -0.363 0.000 1.141 240 T CB -0.133 68.628 68.868 -0.178 0.000 0.868 240 T HN 0.285 nan 8.240 nan 0.000 0.444 241 R N 0.492 120.866 120.500 -0.209 0.000 2.092 241 R HA 0.096 4.436 4.340 -0.000 0.000 0.231 241 R C 2.490 178.714 176.300 -0.127 0.000 1.119 241 R CA 0.800 56.820 56.100 -0.133 0.000 0.970 241 R CB -0.602 29.637 30.300 -0.101 0.000 0.864 241 R HN 0.318 nan 8.270 nan 0.000 0.440 242 L N 0.934 122.052 121.223 -0.175 0.000 1.970 242 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 242 L C 2.157 178.981 176.870 -0.076 0.000 1.071 242 L CA 1.463 56.236 54.840 -0.112 0.000 0.751 242 L CB -0.250 41.740 42.059 -0.115 0.000 0.889 242 L HN 0.103 nan 8.230 nan 0.000 0.432 243 I N 0.564 121.068 120.570 -0.110 0.000 2.151 243 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 243 I C 2.841 178.942 176.117 -0.027 0.000 1.080 243 I CA 1.682 62.962 61.300 -0.033 0.000 1.339 243 I CB -1.761 36.222 38.000 -0.029 0.000 1.039 243 I HN 0.426 nan 8.210 nan 0.000 0.409 244 A N 0.894 123.682 122.820 -0.054 0.000 1.978 244 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 244 A C 2.486 180.056 177.584 -0.024 0.000 1.170 244 A CA 2.349 54.364 52.037 -0.035 0.000 0.636 244 A CB -0.670 18.302 19.000 -0.047 0.000 0.810 244 A HN 0.598 nan 8.150 nan 0.000 0.448 245 S N -0.653 115.030 115.700 -0.027 0.000 2.425 245 S HA -0.012 4.457 4.470 -0.000 0.000 0.225 245 S C 1.879 176.475 174.600 -0.006 0.000 1.024 245 S CA 0.712 58.902 58.200 -0.017 0.000 0.951 245 S CB -0.239 62.949 63.200 -0.020 0.000 0.796 245 S HN 0.639 nan 8.310 nan 0.000 0.498 246 R N 0.210 120.710 120.500 -0.001 0.000 2.173 246 R HA 0.312 4.652 4.340 -0.000 0.000 0.208 246 R C -0.121 176.186 176.300 0.011 0.000 1.035 246 R CA 0.355 56.461 56.100 0.009 0.000 1.004 246 R CB 0.015 30.326 30.300 0.020 0.000 0.917 246 R HN 0.366 nan 8.270 nan 0.000 0.462 247 I N 3.013 123.590 120.570 0.012 0.000 2.359 247 I HA 0.156 4.326 4.170 -0.000 0.000 0.294 247 I C -1.471 174.651 176.117 0.009 0.000 0.987 247 I CA -2.744 58.564 61.300 0.014 0.000 1.225 247 I CB 1.174 39.188 38.000 0.023 0.000 1.366 247 I HN -0.151 nan 8.210 nan 0.000 0.466 248 P HA -0.037 nan 4.420 nan 0.000 0.219 248 P C 0.086 177.390 177.300 0.007 0.000 1.150 248 P CA 1.100 64.203 63.100 0.006 0.000 0.814 248 P CB 0.803 32.506 31.700 0.005 0.000 0.787 249 E N -0.109 120.098 120.200 0.011 0.000 2.185 249 E HA 0.477 4.827 4.350 -0.000 0.000 0.261 249 E C -1.230 175.382 176.600 0.020 0.000 0.879 249 E CA -0.657 55.751 56.400 0.014 0.000 0.756 249 E CB 2.443 32.153 29.700 0.016 0.000 1.152 249 E HN -0.193 nan 8.360 nan 0.000 0.416 250 V N 3.739 123.664 119.914 0.019 0.000 2.841 250 V HA 0.368 4.488 4.120 -0.000 0.000 0.310 250 V C -1.112 174.997 176.094 0.025 0.000 1.090 250 V CA -0.880 61.435 62.300 0.025 0.000 0.930 250 V CB 2.013 33.846 31.823 0.016 0.000 1.014 250 V HN 0.491 nan 8.190 nan 0.000 0.425 251 L N 5.076 126.320 121.223 0.036 0.000 2.313 251 L HA 0.656 4.996 4.340 -0.000 0.000 0.283 251 L C -0.504 176.389 176.870 0.038 0.000 1.013 251 L CA -0.096 54.765 54.840 0.036 0.000 0.816 251 L CB 1.472 43.558 42.059 0.045 0.000 1.236 251 L HN 0.478 nan 8.230 nan 0.000 0.419 252 I N 2.872 123.459 120.570 0.029 0.000 2.466 252 I HA 0.611 4.781 4.170 -0.000 0.000 0.289 252 I C -0.255 175.878 176.117 0.026 0.000 1.026 252 I CA -0.730 60.585 61.300 0.026 0.000 1.078 252 I CB 2.099 40.105 38.000 0.010 0.000 1.249 252 I HN 0.654 nan 8.210 nan 0.000 0.429 253 A N 5.403 128.241 122.820 0.030 0.000 2.394 253 A HA 0.818 5.138 4.320 -0.000 0.000 0.333 253 A C 0.058 177.649 177.584 0.011 0.000 1.397 253 A CA -0.428 51.627 52.037 0.031 0.000 0.884 253 A CB 0.453 19.481 19.000 0.046 0.000 1.147 253 A HN 0.776 nan 8.150 nan 0.000 0.505 254 A N 1.608 124.433 122.820 0.008 0.000 2.286 254 A HA 0.784 5.104 4.320 -0.000 0.000 0.286 254 A C 0.456 178.038 177.584 -0.004 0.000 1.097 254 A CA -0.118 51.918 52.037 -0.001 0.000 0.821 254 A CB 0.760 19.755 19.000 -0.008 0.000 1.076 254 A HN 1.247 nan 8.150 nan 0.000 0.490 255 S N -0.940 114.750 115.700 -0.017 0.000 2.536 255 S HA 0.434 4.903 4.470 -0.000 0.000 0.287 255 S C -0.100 174.514 174.600 0.024 0.000 1.101 255 S CA -0.517 57.664 58.200 -0.032 0.000 0.950 255 S CB 1.099 64.219 63.200 -0.132 0.000 1.056 255 S HN 0.791 nan 8.310 nan 0.000 0.481 256 C N 2.615 121.934 119.300 0.031 0.000 3.183 256 C HA 0.262 4.722 4.460 -0.000 0.000 0.285 256 C C 2.432 177.455 174.990 0.055 0.000 1.313 256 C CA -0.206 58.880 59.018 0.114 0.000 1.711 256 C CB -1.287 26.404 27.740 -0.082 0.000 2.135 256 C HN 0.865 nan 8.230 nan 0.000 0.651 257 S N 2.405 118.058 115.700 -0.077 0.000 2.359 257 S HA -0.216 4.253 4.470 -0.000 0.000 0.223 257 S C 1.855 176.119 174.600 -0.560 0.000 1.039 257 S CA 1.803 59.851 58.200 -0.253 0.000 1.042 257 S CB -0.079 63.028 63.200 -0.156 0.000 0.915 257 S HN 0.636 nan 8.310 nan 0.000 0.439 258 K N 1.976 122.179 120.400 -0.328 0.000 2.078 258 K HA 0.093 4.413 4.320 -0.000 0.000 0.203 258 K C 1.754 178.526 176.600 0.287 0.000 1.043 258 K CA 1.059 57.241 56.287 -0.176 0.000 0.960 258 K CB -0.409 31.949 32.500 -0.236 0.000 0.761 258 K HN 0.393 nan 8.250 nan 0.000 0.448 259 N N 0.233 119.185 118.700 0.419 0.000 2.573 259 N HA -0.125 4.614 4.740 -0.000 0.000 0.187 259 N C 0.659 176.286 175.510 0.195 0.000 1.107 259 N CA 1.126 54.370 53.050 0.323 0.000 0.918 259 N CB -0.155 38.496 38.487 0.273 0.000 0.966 259 N HN 0.183 nan 8.380 nan 0.000 0.448 260 F N -0.940 119.135 119.950 0.208 0.000 2.728 260 F HA 0.393 4.920 4.527 -0.000 0.000 0.314 260 F C 1.612 177.459 175.800 0.079 0.000 1.094 260 F CA 0.076 58.168 58.000 0.152 0.000 1.217 260 F CB 0.464 39.409 39.000 -0.092 0.000 1.056 260 F HN 0.142 nan 8.300 nan 0.000 0.577 261 G N 2.280 111.150 108.800 0.117 0.000 2.198 261 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 261 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 261 G C 0.499 175.432 174.900 0.055 0.000 1.025 261 G CA 0.574 45.699 45.100 0.042 0.000 0.769 261 G HN 0.596 nan 8.290 nan 0.000 0.507 262 I N -3.277 117.265 120.570 -0.047 0.000 3.376 262 I HA 0.464 4.634 4.170 -0.000 0.000 0.347 262 I C 1.543 177.682 176.117 0.037 0.000 1.453 262 I CA -1.296 60.032 61.300 0.046 0.000 1.044 262 I CB -0.369 37.643 38.000 0.019 0.000 1.668 262 I HN 0.015 nan 8.210 nan 0.000 0.490 263 Y N 2.628 122.991 120.300 0.105 0.000 2.040 263 Y HA -0.311 4.239 4.550 -0.000 0.000 0.275 263 Y C 2.823 178.757 175.900 0.057 0.000 1.171 263 Y CA 2.434 60.582 58.100 0.081 0.000 1.123 263 Y CB -0.699 37.817 38.460 0.092 0.000 0.963 263 Y HN 0.446 nan 8.280 nan 0.000 0.493 264 R N 0.465 121.113 120.500 0.246 0.000 2.285 264 R HA -0.075 4.265 4.340 -0.000 0.000 0.213 264 R C 1.215 177.564 176.300 0.082 0.000 1.068 264 R CA 1.274 57.454 56.100 0.133 0.000 1.004 264 R CB -0.375 29.989 30.300 0.107 0.000 0.873 264 R HN 0.306 nan 8.270 nan 0.000 0.467 265 E N 1.376 121.624 120.200 0.080 0.000 2.285 265 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 265 E C -0.103 176.498 176.600 0.002 0.000 0.997 265 E CA 0.223 56.650 56.400 0.044 0.000 0.845 265 E CB 0.058 29.784 29.700 0.043 0.000 0.782 265 E HN 0.195 nan 8.360 nan 0.000 0.491 266 R N 0.506 121.011 120.500 0.008 0.000 3.076 266 R HA -0.092 4.248 4.340 -0.000 0.000 0.261 266 R C -0.811 175.458 176.300 -0.051 0.000 0.930 266 R CA 0.456 56.550 56.100 -0.012 0.000 0.649 266 R CB -3.289 26.996 30.300 -0.025 0.000 1.350 266 R HN 0.012 nan 8.270 nan 0.000 0.453 267 T N -0.114 114.408 114.554 -0.055 0.000 2.786 267 T HA 0.797 5.147 4.350 -0.000 0.000 0.283 267 T C 0.657 175.367 174.700 0.018 0.000 0.992 267 T CA 0.104 62.156 62.100 -0.080 0.000 0.954 267 T CB 2.275 71.041 68.868 -0.170 0.000 0.934 267 T HN 0.627 nan 8.240 nan 0.000 0.440 268 G N 0.533 109.392 108.800 0.098 0.000 2.554 268 G HA2 0.669 4.629 3.960 -0.000 0.000 0.306 268 G HA3 0.669 4.629 3.960 -0.000 0.000 0.306 268 G C -1.273 173.757 174.900 0.216 0.000 1.320 268 G CA -0.300 44.883 45.100 0.138 0.000 0.800 268 G HN 1.265 nan 8.290 nan 0.000 0.481 269 C N -1.142 118.232 119.300 0.124 0.000 3.284 269 C HA 0.791 5.251 4.460 -0.000 0.000 0.338 269 C C -1.099 173.924 174.990 0.055 0.000 1.237 269 C CA -1.025 58.060 59.018 0.111 0.000 1.276 269 C CB 0.817 28.593 27.740 0.060 0.000 1.601 269 C HN 1.002 nan 8.230 nan 0.000 0.494 270 L N 2.517 123.777 121.223 0.062 0.000 2.287 270 L HA 0.687 5.027 4.340 -0.000 0.000 0.287 270 L C -1.087 175.799 176.870 0.027 0.000 1.022 270 L CA -0.667 54.201 54.840 0.047 0.000 0.814 270 L CB 1.318 43.415 42.059 0.063 0.000 1.217 270 L HN 0.819 nan 8.230 nan 0.000 0.420 271 L N 5.001 126.232 121.223 0.013 0.000 2.296 271 L HA 0.553 4.893 4.340 -0.000 0.000 0.286 271 L C 0.025 176.902 176.870 0.011 0.000 1.023 271 L CA -0.411 54.430 54.840 0.002 0.000 0.812 271 L CB 1.773 43.823 42.059 -0.016 0.000 1.223 271 L HN 0.669 nan 8.230 nan 0.000 0.421 272 A N 4.851 127.678 122.820 0.012 0.000 2.316 272 A HA 0.605 4.925 4.320 -0.000 0.000 0.324 272 A C -0.752 176.837 177.584 0.008 0.000 1.375 272 A CA -0.530 51.516 52.037 0.015 0.000 0.882 272 A CB 0.277 19.288 19.000 0.019 0.000 1.152 272 A HN 0.465 nan 8.150 nan 0.000 0.512 273 L N 2.657 123.884 121.223 0.006 0.000 2.315 273 L HA 0.305 4.645 4.340 -0.000 0.000 0.283 273 L C 0.088 176.961 176.870 0.005 0.000 1.089 273 L CA 0.123 54.964 54.840 0.002 0.000 0.833 273 L CB 0.040 42.098 42.059 -0.001 0.000 1.170 273 L HN 0.713 nan 8.230 nan 0.000 0.442 274 C N 1.390 120.692 119.300 0.003 0.000 2.401 274 C HA 0.657 5.117 4.460 -0.000 0.000 0.356 274 C C 1.692 176.683 174.990 0.002 0.000 1.192 274 C CA -0.547 58.473 59.018 0.003 0.000 2.028 274 C CB 1.377 29.118 27.740 0.002 0.000 2.344 274 C HN 0.933 nan 8.230 nan 0.000 0.525 275 A N 0.255 123.076 122.820 0.002 0.000 2.119 275 A HA 0.193 4.513 4.320 -0.000 0.000 0.216 275 A C 0.212 177.796 177.584 -0.000 0.000 1.152 275 A CA 1.380 53.417 52.037 0.001 0.000 0.708 275 A CB -0.495 18.506 19.000 0.002 0.000 0.805 275 A HN 1.029 nan 8.150 nan 0.000 0.460 276 D N -5.272 115.127 120.400 -0.001 0.000 2.694 276 D HA 0.496 5.136 4.640 -0.000 0.000 0.260 276 D C 0.432 176.731 176.300 -0.002 0.000 1.250 276 D CA -0.154 53.845 54.000 -0.001 0.000 0.763 276 D CB 0.717 41.516 40.800 -0.002 0.000 1.311 276 D HN 0.024 nan 8.370 nan 0.000 0.420 277 A N 0.900 123.719 122.820 -0.002 0.000 1.892 277 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 277 A C 2.278 179.860 177.584 -0.003 0.000 1.188 277 A CA 2.946 54.982 52.037 -0.002 0.000 0.631 277 A CB -1.448 17.551 19.000 -0.001 0.000 0.822 277 A HN 0.912 nan 8.150 nan 0.000 0.447 278 A N -1.232 121.586 122.820 -0.004 0.000 1.948 278 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 278 A C 2.289 179.869 177.584 -0.007 0.000 1.177 278 A CA 2.496 54.529 52.037 -0.006 0.000 0.636 278 A CB -1.298 17.698 19.000 -0.006 0.000 0.815 278 A HN 0.489 nan 8.150 nan 0.000 0.449 279 T N -1.117 113.434 114.554 -0.005 0.000 2.904 279 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 279 T C 2.027 176.725 174.700 -0.004 0.000 1.059 279 T CA 1.085 63.182 62.100 -0.005 0.000 1.137 279 T CB -0.194 68.672 68.868 -0.003 0.000 0.879 279 T HN 0.516 nan 8.240 nan 0.000 0.467 280 R N 1.048 121.547 120.500 -0.002 0.000 2.096 280 R HA -0.105 4.234 4.340 -0.000 0.000 0.235 280 R C 1.969 178.269 176.300 0.000 0.000 1.127 280 R CA 1.189 57.289 56.100 0.000 0.000 0.968 280 R CB -0.038 30.263 30.300 0.001 0.000 0.861 280 R HN 0.286 nan 8.270 nan 0.000 0.440 281 E N 0.659 120.857 120.200 -0.002 0.000 2.150 281 E HA -0.166 4.183 4.350 -0.000 0.000 0.193 281 E C 1.957 178.552 176.600 -0.009 0.000 0.985 281 E CA 0.613 57.011 56.400 -0.004 0.000 0.814 281 E CB -0.204 29.493 29.700 -0.005 0.000 0.752 281 E HN 0.218 nan 8.360 nan 0.000 0.466 282 L N 0.814 122.030 121.223 -0.013 0.000 2.023 282 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 282 L C 2.288 179.147 176.870 -0.018 0.000 1.073 282 L CA 1.800 56.627 54.840 -0.022 0.000 0.745 282 L CB -0.996 41.049 42.059 -0.022 0.000 0.900 282 L HN 0.059 nan 8.230 nan 0.000 0.435 283 A N -1.391 121.425 122.820 -0.007 0.000 1.902 283 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 283 A C 2.247 179.838 177.584 0.011 0.000 1.181 283 A CA 1.741 53.779 52.037 0.003 0.000 0.623 283 A CB -0.625 18.380 19.000 0.008 0.000 0.818 283 A HN 0.469 nan 8.150 nan 0.000 0.443 284 Q N -0.023 119.783 119.800 0.011 0.000 2.084 284 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 284 Q C 1.929 177.942 176.000 0.021 0.000 0.978 284 Q CA 2.188 58.002 55.803 0.018 0.000 0.844 284 Q CB -0.985 27.762 28.738 0.016 0.000 0.898 284 Q HN 0.505 nan 8.270 nan 0.000 0.426 285 G N -0.228 108.578 108.800 0.009 0.000 2.421 285 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 285 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 285 G C 1.471 176.388 174.900 0.027 0.000 1.171 285 G CA 0.910 46.015 45.100 0.009 0.000 0.775 285 G HN 0.524 nan 8.290 nan 0.000 0.543 286 A N 0.350 123.172 122.820 0.005 0.000 1.972 286 A HA 0.085 4.405 4.320 -0.000 0.000 0.219 286 A C 2.445 180.095 177.584 0.111 0.000 1.169 286 A CA 1.677 53.729 52.037 0.025 0.000 0.635 286 A CB -0.303 18.688 19.000 -0.015 0.000 0.810 286 A HN 0.407 nan 8.150 nan 0.000 0.446 287 M N -0.796 118.846 119.600 0.070 0.000 2.123 287 M HA -0.068 4.412 4.480 -0.000 0.000 0.263 287 M C 2.570 178.900 176.300 0.051 0.000 1.069 287 M CA 1.320 56.657 55.300 0.062 0.000 1.133 287 M CB -0.379 32.250 32.600 0.047 0.000 1.356 287 M HN 0.441 nan 8.290 nan 0.000 0.415 288 A N 0.061 122.911 122.820 0.050 0.000 1.940 288 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 288 A C 2.004 179.593 177.584 0.009 0.000 1.176 288 A CA 1.427 53.472 52.037 0.014 0.000 0.631 288 A CB -1.023 17.988 19.000 0.018 0.000 0.814 288 A HN 0.535 nan 8.150 nan 0.000 0.446 289 F N -0.133 119.764 119.950 -0.089 0.000 2.171 289 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 289 F C 1.745 177.473 175.800 -0.120 0.000 1.090 289 F CA 1.355 59.296 58.000 -0.098 0.000 1.293 289 F CB -0.133 38.826 39.000 -0.068 0.000 1.013 289 F HN 0.153 nan 8.300 nan 0.000 0.486 290 L N 0.617 121.844 121.223 0.007 0.000 2.093 290 L HA -0.179 4.160 4.340 -0.000 0.000 0.208 290 L C 2.089 178.775 176.870 -0.306 0.000 1.085 290 L CA 1.400 56.166 54.840 -0.124 0.000 0.755 290 L CB -1.441 40.622 42.059 0.006 0.000 0.904 290 L HN 0.113 nan 8.230 nan 0.000 0.435 291 N N -0.712 117.809 118.700 -0.299 0.000 2.080 291 N HA -0.147 4.593 4.740 -0.000 0.000 0.189 291 N C 2.015 177.179 175.510 -0.576 0.000 1.036 291 N CA 0.845 53.590 53.050 -0.509 0.000 0.846 291 N CB -0.213 38.126 38.487 -0.248 0.000 1.015 291 N HN 0.109 nan 8.380 nan 0.000 0.423 292 R N 0.718 120.962 120.500 -0.426 0.000 2.119 292 R HA -0.121 4.219 4.340 -0.000 0.000 0.246 292 R C 1.053 177.099 176.300 -0.424 0.000 1.146 292 R CA 1.343 57.192 56.100 -0.418 0.000 0.962 292 R CB -0.079 30.003 30.300 -0.363 0.000 0.863 292 R HN 0.353 nan 8.270 nan 0.000 0.442 293 Q N -1.150 118.336 119.800 -0.523 0.000 2.451 293 Q HA 0.031 4.371 4.340 -0.000 0.000 0.206 293 Q C 1.352 177.163 176.000 -0.315 0.000 0.947 293 Q CA 0.870 56.400 55.803 -0.455 0.000 0.937 293 Q CB 0.582 28.949 28.738 -0.619 0.000 1.025 293 Q HN 0.341 nan 8.270 nan 0.000 0.511 294 T N -0.742 113.581 114.554 -0.386 0.000 3.071 294 T HA 0.031 4.381 4.350 -0.000 0.000 0.239 294 T C 0.501 175.111 174.700 -0.149 0.000 0.997 294 T CA 0.744 62.666 62.100 -0.296 0.000 1.134 294 T CB 0.156 68.774 68.868 -0.417 0.000 0.928 294 T HN 0.417 nan 8.240 nan 0.000 0.453 295 Y N -0.882 119.390 120.300 -0.046 0.000 3.024 295 Y HA 0.662 5.212 4.550 -0.000 0.000 0.283 295 Y C 0.605 176.502 175.900 -0.005 0.000 1.040 295 Y CA -0.447 57.648 58.100 -0.007 0.000 1.283 295 Y CB -0.367 38.106 38.460 0.022 0.000 1.367 295 Y HN 0.111 nan 8.280 nan 0.000 0.589 296 S N 0.309 115.952 115.700 -0.094 0.000 4.118 296 S HA -0.275 4.195 4.470 -0.000 0.000 0.624 296 S C -0.130 174.425 174.600 -0.075 0.000 1.929 296 S CA 1.041 59.140 58.200 -0.169 0.000 4.219 296 S CB -1.624 61.569 63.200 -0.011 0.000 0.206 296 S HN 0.449 nan 8.310 nan 0.000 0.525 297 F N 5.098 125.154 119.950 0.177 0.000 2.518 297 F HA 0.421 4.947 4.527 -0.000 0.000 0.359 297 F C -1.090 174.883 175.800 0.287 0.000 1.118 297 F CA -0.815 57.312 58.000 0.212 0.000 1.287 297 F CB -0.048 39.076 39.000 0.206 0.000 1.132 297 F HN 0.305 nan 8.300 nan 0.000 0.587 298 P HA 0.184 nan 4.420 nan 0.000 0.278 298 P C -2.634 174.743 177.300 0.129 0.000 1.258 298 P CA -1.710 61.524 63.100 0.224 0.000 0.811 298 P CB 0.241 32.068 31.700 0.212 0.000 1.063 299 P HA 0.062 nan 4.420 nan 0.000 0.271 299 P C 0.408 177.722 177.300 0.024 0.000 1.233 299 P CA -0.009 63.101 63.100 0.017 0.000 0.764 299 P CB 0.332 32.001 31.700 -0.052 0.000 0.825 300 F N 4.071 123.980 119.950 -0.068 0.000 2.098 300 F HA -0.166 4.361 4.527 -0.000 0.000 0.294 300 F C 2.575 178.297 175.800 -0.130 0.000 1.107 300 F CA 1.553 59.490 58.000 -0.105 0.000 1.234 300 F CB -0.671 38.294 39.000 -0.058 0.000 1.002 300 F HN 0.395 nan 8.300 nan 0.000 0.472 301 H N -0.239 118.884 119.070 0.088 0.000 2.267 301 H HA -0.203 4.353 4.556 -0.000 0.000 0.291 301 H C 2.424 177.605 175.328 -0.246 0.000 1.094 301 H CA 2.392 58.414 56.048 -0.043 0.000 1.227 301 H CB -0.989 28.781 29.762 0.013 0.000 1.351 301 H HN 0.380 nan 8.280 nan 0.000 0.483 302 G N -0.678 107.992 108.800 -0.217 0.000 2.404 302 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.215 302 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.215 302 G C 1.905 176.493 174.900 -0.519 0.000 1.174 302 G CA 0.964 45.879 45.100 -0.309 0.000 0.780 302 G HN 0.635 nan 8.290 nan 0.000 0.537 303 A N 0.579 122.967 122.820 -0.720 0.000 1.972 303 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 303 A C 2.182 179.235 177.584 -0.886 0.000 1.169 303 A CA 2.311 53.602 52.037 -1.242 0.000 0.635 303 A CB -0.294 17.677 19.000 -1.715 0.000 0.810 303 A HN 0.370 nan 8.150 nan 0.000 0.446 304 K N -0.022 119.848 120.400 -0.883 0.000 2.296 304 K HA 0.177 4.497 4.320 -0.000 0.000 0.200 304 K C 1.438 177.740 176.600 -0.496 0.000 1.048 304 K CA 0.818 56.640 56.287 -0.775 0.000 0.966 304 K CB -0.395 31.372 32.500 -1.221 0.000 0.754 304 K HN 0.509 nan 8.250 nan 0.000 0.466 305 I N -0.396 119.872 120.570 -0.504 0.000 2.286 305 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 305 I C 1.807 177.721 176.117 -0.340 0.000 1.104 305 I CA 0.595 61.670 61.300 -0.375 0.000 1.397 305 I CB -0.060 37.730 38.000 -0.349 0.000 1.072 305 I HN -0.077 nan 8.210 nan 0.000 0.417 306 V N 0.972 120.619 119.914 -0.445 0.000 2.261 306 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 306 V C 2.571 178.482 176.094 -0.304 0.000 1.047 306 V CA 2.322 64.276 62.300 -0.576 0.000 1.015 306 V CB -0.713 30.728 31.823 -0.636 0.000 0.642 306 V HN 0.589 nan 8.190 nan 0.000 0.446 307 S N -1.185 114.430 115.700 -0.141 0.000 2.507 307 S HA -0.158 4.311 4.470 -0.000 0.000 0.235 307 S C 1.703 176.245 174.600 -0.096 0.000 0.988 307 S CA 1.590 59.744 58.200 -0.076 0.000 0.944 307 S CB -0.419 62.778 63.200 -0.006 0.000 0.762 307 S HN 0.605 nan 8.310 nan 0.000 0.526 308 T N 1.852 116.328 114.554 -0.130 0.000 2.901 308 T HA 0.115 4.465 4.350 -0.000 0.000 0.252 308 T C 1.902 176.568 174.700 -0.056 0.000 1.035 308 T CA 0.995 63.043 62.100 -0.087 0.000 1.142 308 T CB -0.349 68.458 68.868 -0.101 0.000 0.869 308 T HN 0.292 nan 8.240 nan 0.000 0.442 309 V N 1.848 121.718 119.914 -0.073 0.000 2.343 309 V HA -0.093 4.027 4.120 -0.000 0.000 0.247 309 V C 2.405 178.500 176.094 0.002 0.000 1.051 309 V CA 1.259 63.547 62.300 -0.020 0.000 1.036 309 V CB -0.630 31.168 31.823 -0.042 0.000 0.654 309 V HN 0.302 nan 8.190 nan 0.000 0.451 310 L N 0.825 122.023 121.223 -0.041 0.000 2.141 310 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 310 L C 2.627 179.499 176.870 0.004 0.000 1.094 310 L CA 2.521 57.353 54.840 -0.012 0.000 0.763 310 L CB -1.326 40.700 42.059 -0.055 0.000 0.908 310 L HN 0.664 nan 8.230 nan 0.000 0.437 311 T N -6.339 108.209 114.554 -0.010 0.000 3.044 311 T HA 0.030 4.380 4.350 -0.000 0.000 0.255 311 T C 0.939 175.645 174.700 0.010 0.000 1.073 311 T CA 0.190 62.288 62.100 -0.002 0.000 1.125 311 T CB -0.413 68.449 68.868 -0.010 0.000 0.908 311 T HN 0.132 nan 8.240 nan 0.000 0.480 312 T N 4.096 118.658 114.554 0.013 0.000 2.794 312 T HA 0.304 4.654 4.350 -0.000 0.000 0.304 312 T C -1.865 172.857 174.700 0.037 0.000 0.973 312 T CA -1.122 60.991 62.100 0.021 0.000 0.972 312 T CB 1.260 70.139 68.868 0.019 0.000 0.952 312 T HN 0.072 nan 8.240 nan 0.000 0.509 313 P HA -0.223 nan 4.420 nan 0.000 0.219 313 P C 1.322 178.651 177.300 0.047 0.000 1.161 313 P CA 1.329 64.453 63.100 0.040 0.000 0.909 313 P CB 0.237 31.954 31.700 0.028 0.000 0.793 314 E N -1.170 119.054 120.200 0.041 0.000 2.058 314 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 314 E C 1.871 178.508 176.600 0.061 0.000 0.997 314 E CA 1.157 57.582 56.400 0.042 0.000 0.801 314 E CB -0.996 28.726 29.700 0.036 0.000 0.746 314 E HN 0.134 nan 8.360 nan 0.000 0.450 315 L N 0.339 121.604 121.223 0.070 0.000 2.072 315 L HA -0.016 4.323 4.340 -0.000 0.000 0.205 315 L C 2.369 179.333 176.870 0.155 0.000 1.079 315 L CA 1.464 56.363 54.840 0.099 0.000 0.752 315 L CB -0.731 41.374 42.059 0.078 0.000 0.906 315 L HN 0.044 nan 8.230 nan 0.000 0.436 316 R N -0.133 120.454 120.500 0.145 0.000 2.105 316 R HA -0.194 4.146 4.340 -0.000 0.000 0.239 316 R C 2.149 178.579 176.300 0.216 0.000 1.135 316 R CA 1.470 57.703 56.100 0.222 0.000 0.967 316 R CB -0.133 30.260 30.300 0.155 0.000 0.861 316 R HN 0.334 nan 8.270 nan 0.000 0.442 317 A N 0.853 123.744 122.820 0.118 0.000 1.858 317 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 317 A C 1.848 179.457 177.584 0.042 0.000 1.190 317 A CA 1.938 54.011 52.037 0.060 0.000 0.617 317 A CB -0.826 18.196 19.000 0.037 0.000 0.827 317 A HN 0.529 nan 8.150 nan 0.000 0.443 318 D N -2.152 118.289 120.400 0.068 0.000 2.218 318 D HA -0.176 4.464 4.640 -0.000 0.000 0.204 318 D C 1.561 177.894 176.300 0.055 0.000 0.976 318 D CA 1.333 55.362 54.000 0.049 0.000 0.853 318 D CB -0.184 40.654 40.800 0.064 0.000 0.939 318 D HN 0.642 nan 8.370 nan 0.000 0.481 319 W N 0.586 121.853 121.300 -0.056 0.000 2.407 319 W HA -0.042 4.618 4.660 -0.000 0.000 0.305 319 W C 1.944 178.363 176.519 -0.165 0.000 1.196 319 W CA 1.153 58.434 57.345 -0.107 0.000 1.311 319 W CB -0.386 29.013 29.460 -0.103 0.000 1.135 319 W HN -0.074 nan 8.180 nan 0.000 0.514 320 M N 0.545 119.888 119.600 -0.429 0.000 2.159 320 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 320 M C 2.308 178.327 176.300 -0.468 0.000 1.063 320 M CA 1.947 56.860 55.300 -0.645 0.000 1.110 320 M CB -0.880 31.538 32.600 -0.303 0.000 1.374 320 M HN 0.153 nan 8.290 nan 0.000 0.411 321 A N 0.169 122.822 122.820 -0.279 0.000 1.877 321 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 321 A C 1.976 179.416 177.584 -0.240 0.000 1.186 321 A CA 2.009 53.922 52.037 -0.206 0.000 0.620 321 A CB -0.741 18.190 19.000 -0.115 0.000 0.822 321 A HN 0.538 nan 8.150 nan 0.000 0.443 322 E N -0.333 119.716 120.200 -0.253 0.000 2.051 322 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 322 E C 1.976 178.359 176.600 -0.362 0.000 0.991 322 E CA 0.985 57.246 56.400 -0.232 0.000 0.799 322 E CB -0.213 29.400 29.700 -0.146 0.000 0.748 322 E HN 0.555 nan 8.360 nan 0.000 0.449 323 L N 0.748 121.616 121.223 -0.592 0.000 2.046 323 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 323 L C 2.580 179.114 176.870 -0.560 0.000 1.077 323 L CA 1.733 56.139 54.840 -0.725 0.000 0.747 323 L CB -0.287 41.123 42.059 -1.082 0.000 0.896 323 L HN 0.247 nan 8.230 nan 0.000 0.432 324 E N 0.220 120.148 120.200 -0.452 0.000 2.077 324 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 324 E C 2.003 178.461 176.600 -0.236 0.000 0.989 324 E CA 1.633 57.844 56.400 -0.314 0.000 0.800 324 E CB -0.160 29.389 29.700 -0.251 0.000 0.746 324 E HN 0.436 nan 8.360 nan 0.000 0.452 325 A N 0.096 122.789 122.820 -0.212 0.000 1.908 325 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 325 A C 2.539 180.041 177.584 -0.138 0.000 1.181 325 A CA 1.832 53.785 52.037 -0.140 0.000 0.627 325 A CB -0.870 18.064 19.000 -0.110 0.000 0.818 325 A HN 0.208 nan 8.150 nan 0.000 0.445 326 V N -0.185 119.596 119.914 -0.222 0.000 2.343 326 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 326 V C 2.648 178.622 176.094 -0.200 0.000 1.051 326 V CA 2.231 64.375 62.300 -0.259 0.000 1.036 326 V CB -0.775 30.728 31.823 -0.534 0.000 0.654 326 V HN 0.619 nan 8.190 nan 0.000 0.451 327 R N 0.018 120.369 120.500 -0.248 0.000 2.070 327 R HA -0.154 4.186 4.340 -0.000 0.000 0.233 327 R C 2.560 178.813 176.300 -0.078 0.000 1.137 327 R CA 1.981 57.985 56.100 -0.159 0.000 0.945 327 R CB -0.373 29.804 30.300 -0.206 0.000 0.845 327 R HN 0.508 nan 8.270 nan 0.000 0.430 328 S N -0.303 115.345 115.700 -0.087 0.000 2.370 328 S HA -0.118 4.352 4.470 -0.000 0.000 0.226 328 S C 1.862 176.449 174.600 -0.023 0.000 1.033 328 S CA 1.247 59.417 58.200 -0.050 0.000 1.011 328 S CB -0.482 62.684 63.200 -0.057 0.000 0.852 328 S HN 0.663 nan 8.310 nan 0.000 0.457 329 G N 1.769 110.558 108.800 -0.019 0.000 2.459 329 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 329 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 329 G C 1.386 176.312 174.900 0.043 0.000 1.183 329 G CA 0.982 46.094 45.100 0.021 0.000 0.776 329 G HN 0.420 nan 8.290 nan 0.000 0.552 330 M N -0.415 119.218 119.600 0.055 0.000 2.175 330 M HA 0.041 4.521 4.480 -0.000 0.000 0.264 330 M C 2.481 178.807 176.300 0.044 0.000 1.063 330 M CA 0.788 56.131 55.300 0.072 0.000 1.119 330 M CB -0.380 32.277 32.600 0.095 0.000 1.377 330 M HN 0.238 nan 8.290 nan 0.000 0.415 331 L N 0.752 121.992 121.223 0.029 0.000 2.046 331 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 331 L C 2.475 179.354 176.870 0.014 0.000 1.077 331 L CA 1.885 56.738 54.840 0.022 0.000 0.747 331 L CB -0.543 41.523 42.059 0.011 0.000 0.896 331 L HN 0.165 nan 8.230 nan 0.000 0.432 332 R N -1.370 119.136 120.500 0.010 0.000 2.096 332 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 332 R C 2.074 178.377 176.300 0.005 0.000 1.127 332 R CA 1.066 57.168 56.100 0.004 0.000 0.968 332 R CB -0.479 29.823 30.300 0.003 0.000 0.861 332 R HN 0.260 nan 8.270 nan 0.000 0.440 333 L N 1.002 122.234 121.223 0.015 0.000 2.046 333 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 333 L C 2.323 179.194 176.870 0.002 0.000 1.077 333 L CA 1.672 56.519 54.840 0.013 0.000 0.747 333 L CB -0.625 41.451 42.059 0.029 0.000 0.896 333 L HN 0.083 nan 8.230 nan 0.000 0.432 334 R N -0.576 119.929 120.500 0.008 0.000 2.073 334 R HA -0.164 4.175 4.340 -0.000 0.000 0.234 334 R C 2.095 178.380 176.300 -0.024 0.000 1.134 334 R CA 1.534 57.633 56.100 -0.002 0.000 0.952 334 R CB -0.328 29.984 30.300 0.019 0.000 0.850 334 R HN 0.497 nan 8.270 nan 0.000 0.433 335 E N 0.523 120.714 120.200 -0.016 0.000 2.085 335 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 335 E C 2.124 178.706 176.600 -0.030 0.000 0.994 335 E CA 1.179 57.565 56.400 -0.023 0.000 0.801 335 E CB -0.069 29.623 29.700 -0.014 0.000 0.743 335 E HN 0.368 nan 8.360 nan 0.000 0.453 336 Q N 0.503 120.288 119.800 -0.025 0.000 2.020 336 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 336 Q C 2.341 178.314 176.000 -0.045 0.000 0.982 336 Q CA 1.086 56.872 55.803 -0.029 0.000 0.838 336 Q CB -0.065 28.662 28.738 -0.019 0.000 0.899 336 Q HN 0.195 nan 8.270 nan 0.000 0.423 337 L N 0.552 121.744 121.223 -0.051 0.000 2.012 337 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 337 L C 2.145 178.951 176.870 -0.107 0.000 1.073 337 L CA 2.443 57.236 54.840 -0.078 0.000 0.748 337 L CB -1.020 40.996 42.059 -0.072 0.000 0.891 337 L HN 0.223 nan 8.230 nan 0.000 0.431 338 A N -0.591 122.168 122.820 -0.102 0.000 1.972 338 A HA -0.022 4.298 4.320 -0.000 0.000 0.219 338 A C 2.320 179.860 177.584 -0.074 0.000 1.169 338 A CA 1.437 53.409 52.037 -0.109 0.000 0.635 338 A CB -1.531 17.402 19.000 -0.112 0.000 0.810 338 A HN 0.567 nan 8.150 nan 0.000 0.446 339 G N -0.415 108.350 108.800 -0.058 0.000 2.404 339 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 339 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 339 G C 1.450 176.321 174.900 -0.049 0.000 1.174 339 G CA 1.255 46.330 45.100 -0.043 0.000 0.780 339 G HN 0.558 nan 8.290 nan 0.000 0.537 340 E N 0.425 120.586 120.200 -0.064 0.000 2.058 340 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 340 E C 2.514 179.056 176.600 -0.097 0.000 0.997 340 E CA 0.793 57.149 56.400 -0.073 0.000 0.801 340 E CB -0.461 29.189 29.700 -0.083 0.000 0.746 340 E HN 0.415 nan 8.360 nan 0.000 0.450 341 L N 0.025 121.165 121.223 -0.137 0.000 2.131 341 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 341 L C 2.795 179.631 176.870 -0.057 0.000 1.092 341 L CA 1.372 56.098 54.840 -0.191 0.000 0.759 341 L CB -0.373 41.495 42.059 -0.318 0.000 0.903 341 L HN 0.165 nan 8.230 nan 0.000 0.435 342 R N 0.258 120.746 120.500 -0.020 0.000 2.070 342 R HA -0.175 4.165 4.340 -0.000 0.000 0.233 342 R C 1.855 178.160 176.300 0.007 0.000 1.137 342 R CA 1.973 58.082 56.100 0.015 0.000 0.945 342 R CB -0.103 30.198 30.300 0.001 0.000 0.845 342 R HN 0.284 nan 8.270 nan 0.000 0.430 343 D N 0.448 120.841 120.400 -0.013 0.000 2.178 343 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 343 D C 1.809 178.102 176.300 -0.011 0.000 0.980 343 D CA 0.757 54.750 54.000 -0.011 0.000 0.842 343 D CB 0.004 40.793 40.800 -0.018 0.000 0.948 343 D HN 0.221 nan 8.370 nan 0.000 0.472 344 L N 0.604 121.811 121.223 -0.026 0.000 2.131 344 L HA -0.034 4.306 4.340 -0.000 0.000 0.206 344 L C 2.225 179.095 176.870 0.000 0.000 1.087 344 L CA 1.215 56.037 54.840 -0.030 0.000 0.767 344 L CB -0.767 41.245 42.059 -0.077 0.000 0.917 344 L HN 0.098 nan 8.230 nan 0.000 0.441 345 S N -1.543 114.176 115.700 0.031 0.000 2.503 345 S HA 0.126 4.595 4.470 -0.000 0.000 0.217 345 S C 1.584 176.224 174.600 0.066 0.000 0.999 345 S CA 0.511 58.762 58.200 0.085 0.000 0.914 345 S CB 0.492 63.816 63.200 0.207 0.000 0.782 345 S HN 0.458 nan 8.310 nan 0.000 0.520 346 G N 1.274 110.101 108.800 0.045 0.000 2.155 346 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.257 346 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.257 346 G C 0.152 175.072 174.900 0.034 0.000 0.983 346 G CA 0.618 45.738 45.100 0.032 0.000 0.676 346 G HN 1.580 nan 8.290 nan 0.000 0.528 347 S N -1.955 113.776 115.700 0.051 0.000 2.685 347 S HA 0.669 5.139 4.470 -0.000 0.000 0.282 347 S C -0.525 174.105 174.600 0.050 0.000 1.159 347 S CA -0.007 58.218 58.200 0.040 0.000 0.833 347 S CB 1.916 65.137 63.200 0.035 0.000 1.151 347 S HN -0.065 nan 8.310 nan 0.000 0.485 348 D N -0.164 120.249 120.400 0.023 0.000 2.525 348 D HA 0.356 4.995 4.640 -0.000 0.000 0.229 348 D C 1.482 177.778 176.300 -0.007 0.000 1.202 348 D CA -0.262 53.748 54.000 0.017 0.000 0.828 348 D CB 0.186 40.987 40.800 0.001 0.000 1.008 348 D HN 0.359 nan 8.370 nan 0.000 0.493 349 R N -0.213 120.265 120.500 -0.037 0.000 2.091 349 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 349 R C 0.682 176.829 176.300 -0.255 0.000 1.136 349 R CA 1.016 57.002 56.100 -0.191 0.000 0.959 349 R CB -0.154 29.916 30.300 -0.384 0.000 0.856 349 R HN 0.278 nan 8.270 nan 0.000 0.437 350 F N -0.457 119.458 119.950 -0.058 0.000 2.693 350 F HA 0.179 4.706 4.527 -0.000 0.000 0.303 350 F C 2.029 177.487 175.800 -0.571 0.000 1.143 350 F CA 0.028 57.811 58.000 -0.360 0.000 1.389 350 F CB -0.031 38.780 39.000 -0.314 0.000 1.060 350 F HN 0.080 nan 8.300 nan 0.000 0.535 351 G N 0.919 109.627 108.800 -0.152 0.000 2.462 351 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.220 351 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.220 351 G C 1.599 176.384 174.900 -0.192 0.000 1.121 351 G CA 0.984 46.003 45.100 -0.135 0.000 0.758 351 G HN 0.518 nan 8.290 nan 0.000 0.559 352 F N 1.134 121.020 119.950 -0.107 0.000 2.192 352 F HA -0.097 4.430 4.527 -0.000 0.000 0.301 352 F C 2.199 177.783 175.800 -0.359 0.000 1.079 352 F CA 0.871 58.725 58.000 -0.244 0.000 1.303 352 F CB -1.013 37.802 39.000 -0.309 0.000 1.024 352 F HN 0.001 nan 8.300 nan 0.000 0.494 353 V N 1.096 120.540 119.914 -0.784 0.000 2.568 353 V HA -0.254 3.866 4.120 -0.000 0.000 0.253 353 V C 2.789 178.807 176.094 -0.127 0.000 1.072 353 V CA 1.715 63.785 62.300 -0.384 0.000 1.084 353 V CB -1.509 30.088 31.823 -0.375 0.000 0.676 353 V HN 0.603 nan 8.190 nan 0.000 0.469 354 A N -0.610 122.134 122.820 -0.127 0.000 2.123 354 A HA -0.027 4.293 4.320 -0.000 0.000 0.214 354 A C 2.064 179.657 177.584 0.015 0.000 1.152 354 A CA 0.885 52.898 52.037 -0.039 0.000 0.728 354 A CB -0.169 18.803 19.000 -0.048 0.000 0.814 354 A HN 0.613 nan 8.150 nan 0.000 0.464 355 E N -1.001 119.214 120.200 0.026 0.000 2.364 355 E HA 0.075 4.425 4.350 -0.000 0.000 0.196 355 E C -0.052 176.674 176.600 0.211 0.000 0.990 355 E CA -0.258 56.197 56.400 0.092 0.000 0.886 355 E CB 0.009 29.757 29.700 0.079 0.000 0.866 355 E HN 0.751 nan 8.360 nan 0.000 0.493 356 H N 0.778 119.940 119.070 0.154 0.000 2.771 356 H HA 0.192 4.748 4.556 -0.000 0.000 0.364 356 H C 0.103 175.504 175.328 0.122 0.000 1.133 356 H CA -0.293 55.860 56.048 0.175 0.000 1.423 356 H CB 0.621 30.526 29.762 0.238 0.000 1.425 356 H HN -0.210 nan 8.280 nan 0.000 0.606 357 R N 0.932 121.564 120.500 0.221 0.000 2.686 357 R HA 0.489 4.829 4.340 -0.000 0.000 0.283 357 R C -0.188 176.155 176.300 0.073 0.000 0.978 357 R CA -0.282 55.900 56.100 0.137 0.000 0.897 357 R CB 1.957 32.337 30.300 0.133 0.000 1.192 357 R HN 1.050 nan 8.270 nan 0.000 0.457 358 G N 0.918 109.731 108.800 0.022 0.000 2.384 358 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.668 358 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.668 358 G C 0.246 175.027 174.900 -0.199 0.000 1.280 358 G CA -0.144 44.874 45.100 -0.137 0.000 0.992 358 G HN 0.560 nan 8.290 nan 0.000 0.512 359 M N -1.323 117.977 119.600 -0.500 0.000 2.502 359 M HA 0.600 5.080 4.480 -0.000 0.000 0.243 359 M C -0.076 175.858 176.300 -0.610 0.000 1.130 359 M CA 0.441 55.427 55.300 -0.523 0.000 1.055 359 M CB 0.153 32.380 32.600 -0.621 0.000 1.457 359 M HN 0.190 nan 8.290 nan 0.000 0.488 360 F N 0.444 120.329 119.950 -0.108 0.000 2.541 360 F HA 0.756 5.283 4.527 -0.000 0.000 0.331 360 F C 0.070 175.882 175.800 0.019 0.000 1.057 360 F CA -1.340 56.630 58.000 -0.049 0.000 0.975 360 F CB 1.894 40.836 39.000 -0.096 0.000 1.246 360 F HN -0.103 nan 8.300 nan 0.000 0.484 361 S N 0.717 116.597 115.700 0.300 0.000 2.584 361 S HA 0.356 4.826 4.470 -0.000 0.000 0.280 361 S C -1.044 173.714 174.600 0.264 0.000 1.162 361 S CA -0.799 57.596 58.200 0.325 0.000 0.951 361 S CB 1.383 64.866 63.200 0.472 0.000 1.108 361 S HN 0.497 nan 8.310 nan 0.000 0.464 362 R N 3.102 123.710 120.500 0.181 0.000 2.202 362 R HA 0.349 4.689 4.340 -0.000 0.000 0.334 362 R C 0.810 177.292 176.300 0.303 0.000 1.036 362 R CA -0.316 55.826 56.100 0.070 0.000 0.878 362 R CB 0.527 30.608 30.300 -0.365 0.000 1.067 362 R HN 0.613 nan 8.270 nan 0.000 0.457 363 L N 1.763 123.164 121.223 0.296 0.000 2.291 363 L HA 0.012 4.352 4.340 -0.000 0.000 0.214 363 L C 1.359 178.409 176.870 0.300 0.000 1.120 363 L CA 1.136 56.223 54.840 0.412 0.000 0.799 363 L CB -0.044 42.213 42.059 0.330 0.000 0.925 363 L HN 1.052 nan 8.230 nan 0.000 0.446 364 G N -0.256 108.673 108.800 0.214 0.000 2.130 364 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 364 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 364 G C 0.215 175.196 174.900 0.135 0.000 0.999 364 G CA -0.091 45.114 45.100 0.175 0.000 0.686 364 G HN 0.505 nan 8.290 nan 0.000 0.515 365 A N 0.482 123.382 122.820 0.134 0.000 2.327 365 A HA 0.832 5.151 4.320 -0.000 0.000 0.283 365 A C 0.984 178.612 177.584 0.073 0.000 1.127 365 A CA 0.822 52.922 52.037 0.106 0.000 0.810 365 A CB 0.447 19.510 19.000 0.104 0.000 1.066 365 A HN 1.797 nan 8.150 nan 0.000 0.492 366 T N 0.345 114.936 114.554 0.060 0.000 2.813 366 T HA 0.329 4.679 4.350 -0.000 0.000 0.297 366 T C -1.848 172.873 174.700 0.034 0.000 1.036 366 T CA -1.033 61.093 62.100 0.044 0.000 1.044 366 T CB 0.470 69.361 68.868 0.038 0.000 0.993 366 T HN 0.318 nan 8.240 nan 0.000 0.535 367 P HA -0.106 nan 4.420 nan 0.000 0.216 367 P C 1.525 178.834 177.300 0.015 0.000 1.150 367 P CA 0.935 64.044 63.100 0.015 0.000 0.837 367 P CB 0.059 31.765 31.700 0.010 0.000 0.786 368 E N -0.149 120.062 120.200 0.019 0.000 2.110 368 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 368 E C 1.913 178.529 176.600 0.027 0.000 0.988 368 E CA 1.183 57.594 56.400 0.020 0.000 0.804 368 E CB -0.144 29.569 29.700 0.021 0.000 0.745 368 E HN 0.331 nan 8.360 nan 0.000 0.458 369 Q N -0.214 119.607 119.800 0.036 0.000 2.172 369 Q HA -0.086 4.254 4.340 -0.000 0.000 0.200 369 Q C 2.288 178.313 176.000 0.041 0.000 0.964 369 Q CA 1.078 56.909 55.803 0.047 0.000 0.855 369 Q CB 0.247 29.020 28.738 0.058 0.000 0.918 369 Q HN 0.168 nan 8.270 nan 0.000 0.444 370 V N 1.235 121.167 119.914 0.029 0.000 2.343 370 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 370 V C 2.222 178.309 176.094 -0.011 0.000 1.051 370 V CA 1.924 64.232 62.300 0.014 0.000 1.036 370 V CB -0.446 31.383 31.823 0.010 0.000 0.654 370 V HN 0.301 nan 8.190 nan 0.000 0.451 371 K N -0.029 120.364 120.400 -0.010 0.000 2.057 371 K HA -0.162 4.157 4.320 -0.000 0.000 0.207 371 K C 2.422 179.012 176.600 -0.016 0.000 1.049 371 K CA 1.324 57.593 56.287 -0.030 0.000 0.931 371 K CB -0.126 32.365 32.500 -0.016 0.000 0.714 371 K HN 0.311 nan 8.250 nan 0.000 0.440 372 R N 0.378 120.891 120.500 0.021 0.000 2.091 372 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 372 R C 2.349 178.716 176.300 0.111 0.000 1.136 372 R CA 1.658 57.791 56.100 0.055 0.000 0.959 372 R CB -0.416 29.931 30.300 0.078 0.000 0.856 372 R HN 0.298 nan 8.270 nan 0.000 0.437 373 I N 0.885 121.527 120.570 0.119 0.000 2.179 373 I HA -0.325 3.845 4.170 -0.000 0.000 0.242 373 I C 2.696 178.901 176.117 0.147 0.000 1.088 373 I CA 1.370 62.791 61.300 0.202 0.000 1.357 373 I CB -0.321 37.725 38.000 0.076 0.000 1.051 373 I HN 0.171 nan 8.210 nan 0.000 0.409 374 K N 1.265 121.647 120.400 -0.030 0.000 1.991 374 K HA -0.246 4.074 4.320 -0.000 0.000 0.212 374 K C 1.996 178.534 176.600 -0.103 0.000 1.049 374 K CA 2.003 58.166 56.287 -0.207 0.000 0.932 374 K CB -0.083 32.138 32.500 -0.465 0.000 0.717 374 K HN 0.321 nan 8.250 nan 0.000 0.441 375 E N 0.126 120.283 120.200 -0.071 0.000 2.077 375 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 375 E C 2.007 178.569 176.600 -0.065 0.000 0.989 375 E CA 1.616 57.987 56.400 -0.047 0.000 0.800 375 E CB 0.053 29.731 29.700 -0.038 0.000 0.746 375 E HN 0.451 nan 8.360 nan 0.000 0.452 376 E N -0.578 119.573 120.200 -0.081 0.000 2.190 376 E HA -0.030 4.320 4.350 -0.000 0.000 0.191 376 E C 1.176 177.441 176.600 -0.558 0.000 0.978 376 E CA 0.612 56.825 56.400 -0.312 0.000 0.839 376 E CB 0.178 29.660 29.700 -0.364 0.000 0.787 376 E HN 0.226 nan 8.360 nan 0.000 0.473 377 F N -0.810 119.143 119.950 0.005 0.000 2.706 377 F HA 0.325 4.852 4.527 -0.000 0.000 0.308 377 F C 1.455 177.288 175.800 0.054 0.000 1.095 377 F CA 0.246 58.260 58.000 0.023 0.000 1.244 377 F CB 1.242 40.251 39.000 0.016 0.000 1.063 377 F HN 0.035 nan 8.300 nan 0.000 0.582 378 G N 1.610 110.515 108.800 0.176 0.000 2.166 378 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.260 378 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.260 378 G C 0.218 175.334 174.900 0.359 0.000 0.986 378 G CA 0.093 45.337 45.100 0.240 0.000 0.683 378 G HN 0.335 nan 8.290 nan 0.000 0.527 379 I N 0.365 121.093 120.570 0.263 0.000 2.342 379 I HA 0.467 4.637 4.170 -0.000 0.000 0.291 379 I C 0.045 176.280 176.117 0.197 0.000 1.010 379 I CA -1.008 60.448 61.300 0.260 0.000 1.308 379 I CB 0.775 38.868 38.000 0.154 0.000 1.400 379 I HN -0.002 nan 8.210 nan 0.000 0.488 380 Y N 6.849 127.205 120.300 0.094 0.000 2.387 380 Y HA 0.693 5.243 4.550 -0.000 0.000 0.336 380 Y C 0.281 176.180 175.900 -0.001 0.000 1.067 380 Y CA -0.834 57.300 58.100 0.057 0.000 1.114 380 Y CB 1.753 40.248 38.460 0.059 0.000 1.208 380 Y HN 0.462 nan 8.280 nan 0.000 0.458 381 M N -0.481 119.191 119.600 0.120 0.000 2.773 381 M HA 0.682 5.162 4.480 -0.000 0.000 0.270 381 M C -1.727 174.601 176.300 0.047 0.000 1.238 381 M CA -1.229 54.112 55.300 0.070 0.000 0.832 381 M CB 1.248 33.883 32.600 0.058 0.000 1.672 381 M HN 0.140 nan 8.290 nan 0.000 0.480 382 V N 1.625 121.552 119.914 0.021 0.000 2.999 382 V HA 0.188 4.307 4.120 -0.000 0.000 0.307 382 V C 1.571 177.663 176.094 -0.004 0.000 1.084 382 V CA 0.972 63.268 62.300 -0.006 0.000 1.155 382 V CB 0.876 32.668 31.823 -0.051 0.000 0.975 382 V HN 1.104 nan 8.190 nan 0.000 0.490 383 G N 1.798 110.592 108.800 -0.010 0.000 2.586 383 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.215 383 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.215 383 G C 0.725 175.618 174.900 -0.011 0.000 1.128 383 G CA 0.749 45.844 45.100 -0.008 0.000 0.774 383 G HN 0.948 nan 8.290 nan 0.000 0.543 384 D N -0.572 119.813 120.400 -0.025 0.000 2.388 384 D HA 0.043 4.683 4.640 -0.000 0.000 0.221 384 D C 1.245 177.533 176.300 -0.019 0.000 1.133 384 D CA 0.576 54.558 54.000 -0.030 0.000 0.831 384 D CB -0.543 40.219 40.800 -0.063 0.000 0.962 384 D HN 0.400 nan 8.370 nan 0.000 0.502 385 S N -0.978 114.726 115.700 0.006 0.000 3.586 385 S HA -0.308 4.162 4.470 -0.000 0.000 0.309 385 S C 0.306 174.935 174.600 0.048 0.000 1.195 385 S CA 0.367 58.591 58.200 0.040 0.000 0.895 385 S CB -2.520 60.724 63.200 0.072 0.000 0.983 385 S HN 0.671 nan 8.310 nan 0.000 0.563 386 R N 1.561 122.067 120.500 0.011 0.000 2.298 386 R HA 0.648 4.988 4.340 -0.000 0.000 0.310 386 R C 0.646 176.997 176.300 0.085 0.000 1.068 386 R CA -0.163 55.951 56.100 0.022 0.000 0.957 386 R CB 0.242 30.492 30.300 -0.085 0.000 1.003 386 R HN 0.716 nan 8.270 nan 0.000 0.454 387 I N 0.767 121.433 120.570 0.160 0.000 2.863 387 I HA 0.470 4.640 4.170 -0.000 0.000 0.311 387 I C -0.777 175.501 176.117 0.268 0.000 1.026 387 I CA -1.194 60.208 61.300 0.170 0.000 1.077 387 I CB 2.005 40.085 38.000 0.132 0.000 1.262 387 I HN 0.426 nan 8.210 nan 0.000 0.461 388 N N 4.087 122.911 118.700 0.207 0.000 2.469 388 N HA 0.300 5.040 4.740 -0.000 0.000 0.253 388 N C 0.632 176.171 175.510 0.049 0.000 0.970 388 N CA -0.605 52.536 53.050 0.153 0.000 0.940 388 N CB 1.210 39.796 38.487 0.164 0.000 1.128 388 N HN 0.690 nan 8.380 nan 0.000 0.503 389 I N 2.468 123.044 120.570 0.011 0.000 2.248 389 I HA -0.238 3.931 4.170 -0.000 0.000 0.248 389 I C 2.087 178.222 176.117 0.030 0.000 1.107 389 I CA 1.058 62.373 61.300 0.025 0.000 1.373 389 I CB -1.664 36.349 38.000 0.023 0.000 1.055 389 I HN 0.613 nan 8.210 nan 0.000 0.418 390 A N 0.806 123.645 122.820 0.031 0.000 2.070 390 A HA -0.060 4.260 4.320 -0.000 0.000 0.220 390 A C 2.407 179.975 177.584 -0.026 0.000 1.159 390 A CA 1.583 53.649 52.037 0.048 0.000 0.656 390 A CB -1.164 17.886 19.000 0.083 0.000 0.800 390 A HN 0.465 nan 8.150 nan 0.000 0.453 391 G N -1.162 107.626 108.800 -0.020 0.000 2.650 391 G HA2 0.273 4.233 3.960 -0.000 0.000 0.214 391 G HA3 0.273 4.233 3.960 -0.000 0.000 0.214 391 G C 0.565 175.455 174.900 -0.017 0.000 1.136 391 G CA 0.031 45.111 45.100 -0.033 0.000 0.789 391 G HN 0.283 nan 8.290 nan 0.000 0.536 392 L N 0.771 121.994 121.223 -0.001 0.000 2.468 392 L HA 0.476 4.816 4.340 -0.000 0.000 0.254 392 L C 0.207 177.077 176.870 0.001 0.000 1.171 392 L CA -0.338 54.504 54.840 0.002 0.000 0.809 392 L CB 0.707 42.770 42.059 0.006 0.000 1.155 392 L HN 0.525 nan 8.230 nan 0.000 0.473 393 N N -2.401 116.300 118.700 0.001 0.000 3.355 393 N HA 0.084 4.824 4.740 -0.000 0.000 0.238 393 N C -0.296 175.215 175.510 0.000 0.000 1.466 393 N CA -0.588 52.463 53.050 0.002 0.000 0.882 393 N CB 0.131 38.618 38.487 -0.000 0.000 1.406 393 N HN 0.275 nan 8.380 nan 0.000 0.500 394 D N -0.804 119.597 120.400 0.002 0.000 2.265 394 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 394 D C 0.555 176.855 176.300 0.000 0.000 0.977 394 D CA 1.496 55.496 54.000 -0.001 0.000 0.871 394 D CB -0.183 40.618 40.800 0.001 0.000 0.925 394 D HN 0.562 nan 8.370 nan 0.000 0.485 395 N N -1.470 117.232 118.700 0.004 0.000 2.387 395 N HA -0.041 4.699 4.740 -0.000 0.000 0.176 395 N C 1.668 177.184 175.510 0.011 0.000 1.022 395 N CA 1.155 54.210 53.050 0.009 0.000 0.883 395 N CB 0.234 38.729 38.487 0.012 0.000 1.019 395 N HN 0.133 nan 8.380 nan 0.000 0.435 396 T N -0.386 114.174 114.554 0.010 0.000 2.896 396 T HA 0.065 4.415 4.350 -0.000 0.000 0.263 396 T C 1.898 176.596 174.700 -0.003 0.000 1.050 396 T CA 0.510 62.618 62.100 0.013 0.000 1.140 396 T CB -0.429 68.448 68.868 0.015 0.000 0.877 396 T HN 0.065 nan 8.240 nan 0.000 0.457 397 I N 2.287 122.849 120.570 -0.014 0.000 2.151 397 I HA -0.108 4.062 4.170 -0.000 0.000 0.243 397 I C -0.559 175.527 176.117 -0.051 0.000 1.080 397 I CA 1.396 62.675 61.300 -0.034 0.000 1.339 397 I CB -1.020 36.961 38.000 -0.032 0.000 1.039 397 I HN 0.215 nan 8.210 nan 0.000 0.409 398 P HA -0.152 nan 4.420 nan 0.000 0.216 398 P C 1.715 178.986 177.300 -0.048 0.000 1.150 398 P CA 1.558 64.634 63.100 -0.041 0.000 0.837 398 P CB -0.011 31.679 31.700 -0.017 0.000 0.786 399 I N -1.593 118.961 120.570 -0.025 0.000 2.233 399 I HA -0.170 4.000 4.170 -0.000 0.000 0.243 399 I C 2.448 178.504 176.117 -0.101 0.000 1.093 399 I CA 1.006 62.297 61.300 -0.015 0.000 1.380 399 I CB -0.728 37.302 38.000 0.050 0.000 1.067 399 I HN -0.082 nan 8.210 nan 0.000 0.413 400 L N 1.088 122.258 121.223 -0.089 0.000 2.012 400 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 400 L C 2.833 179.575 176.870 -0.213 0.000 1.073 400 L CA 2.037 56.798 54.840 -0.131 0.000 0.748 400 L CB -0.474 41.538 42.059 -0.077 0.000 0.891 400 L HN 0.292 nan 8.230 nan 0.000 0.431 401 A N 0.165 122.868 122.820 -0.195 0.000 1.873 401 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 401 A C 2.250 179.667 177.584 -0.278 0.000 1.193 401 A CA 2.091 53.978 52.037 -0.250 0.000 0.629 401 A CB -0.615 18.270 19.000 -0.192 0.000 0.826 401 A HN 0.450 nan 8.150 nan 0.000 0.447 402 R N -0.660 119.699 120.500 -0.234 0.000 2.081 402 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 402 R C 2.507 178.539 176.300 -0.445 0.000 1.131 402 R CA 1.258 57.215 56.100 -0.238 0.000 0.960 402 R CB -0.512 29.716 30.300 -0.121 0.000 0.856 402 R HN 0.540 nan 8.270 nan 0.000 0.436 403 A N 1.253 123.629 122.820 -0.739 0.000 1.865 403 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 403 A C 2.153 179.387 177.584 -0.584 0.000 1.191 403 A CA 1.493 52.767 52.037 -1.273 0.000 0.623 403 A CB -0.661 17.702 19.000 -1.062 0.000 0.826 403 A HN 0.214 nan 8.150 nan 0.000 0.444 404 I N -0.937 119.409 120.570 -0.372 0.000 2.118 404 I HA -0.310 3.860 4.170 -0.000 0.000 0.241 404 I C 2.346 178.376 176.117 -0.145 0.000 1.070 404 I CA 1.601 62.768 61.300 -0.221 0.000 1.327 404 I CB -0.392 37.420 38.000 -0.314 0.000 1.034 404 I HN 0.271 nan 8.210 nan 0.000 0.405 405 I N 0.655 121.108 120.570 -0.195 0.000 2.142 405 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 405 I C 2.509 178.612 176.117 -0.023 0.000 1.078 405 I CA 1.536 62.792 61.300 -0.073 0.000 1.343 405 I CB -0.550 37.396 38.000 -0.089 0.000 1.046 405 I HN 0.148 nan 8.210 nan 0.000 0.405 406 E N 0.173 120.333 120.200 -0.066 0.000 2.130 406 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 406 E C 1.926 178.578 176.600 0.087 0.000 0.998 406 E CA 1.162 57.585 56.400 0.038 0.000 0.806 406 E CB -0.132 29.642 29.700 0.124 0.000 0.738 406 E HN 0.314 nan 8.360 nan 0.000 0.459 407 V N -0.509 119.437 119.914 0.052 0.000 3.646 407 V HA 0.166 4.286 4.120 -0.000 0.000 0.277 407 V C 1.235 177.374 176.094 0.075 0.000 1.274 407 V CA 0.592 62.946 62.300 0.089 0.000 1.164 407 V CB -0.669 31.205 31.823 0.086 0.000 0.926 407 V HN 0.449 nan 8.190 nan 0.000 0.442 408 G N 0.770 109.614 108.800 0.073 0.000 2.246 408 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.273 408 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.273 408 G C 0.114 175.080 174.900 0.109 0.000 1.055 408 G CA 0.348 45.500 45.100 0.086 0.000 0.851 408 G HN 0.390 nan 8.290 nan 0.000 0.500 409 V N 0.000 120.003 119.914 0.149 0.000 2.409 409 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 409 V CA 0.000 62.420 62.300 0.200 0.000 1.235 409 V CB 0.000 31.971 31.823 0.247 0.000 1.184 409 V HN 0.000 nan 8.190 nan 0.000 0.556