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 3ces_1_B DATA FIRST_RESID 0 DATA SEQUENCE HMFYPDPFDV IIIGGGHAGT EAAMAAARMG QQTLLLTHNI DTLGQMSCNP DATA SEQUENCE AIGGIGKGHL VKEVDALGGL MAKAIDQAGI QFRILNASKG PAVRATRAQA DATA SEQUENCE DRVLYRQAVR TALENQPNLM IFQQAVEDLI VENDRVVGAV TQMGLKFRAK DATA SEQUENCE AVVLTVGTFL DGKIHIGXXX XXXXXXXXXX SIPLSRRLRE LPLRVGRLKT DATA SEQUENCE GTPPRIDART IDFSVLAQQH GDNPMPVFSF MGNASQHPQQ VPCYITHTNE DATA SEQUENCE KTHDVIRSNL XXXXXXXXXX XXXXXXXXXS IEDKVMRFAD RNQHQIFLEP DATA SEQUENCE EGLTSNEIYP NGISTSLPFD VQMQIVRSMQ GMENAKIVRP GYAIEYDFFD DATA SEQUENCE PRDLKPTLES KFIQGLFFAG QINGTTGYEE AAAQGLLAGL NAARLSADKE DATA SEQUENCE GWAPARSQAY LGVLVDDLCT LGTKEPYRMF TSRAEYRLML REDNADLRLT DATA SEQUENCE EIGRELGLVD DERWARFNEK LENIERERQR LKSTWVTPSA EAAAEVNAHL DATA SEQUENCE TAPLSREASG EDLLRRPEMT YEKLTTLTPF APALTDEQAA EQVEIQVKYE DATA SEQUENCE G 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.273 175.328 -0.092 0.000 0.993 0 H CA 0.000 55.997 56.048 -0.085 0.000 1.023 0 H CB 0.000 29.710 29.762 -0.087 0.000 1.292 1 M N 2.645 122.171 119.600 -0.124 0.000 2.490 1 M HA 0.335 4.815 4.480 -0.000 0.000 0.286 1 M C -1.594 174.586 176.300 -0.201 0.000 1.185 1 M CA -0.695 54.551 55.300 -0.089 0.000 0.912 1 M CB 2.476 35.036 32.600 -0.067 0.000 1.744 1 M HN 0.130 nan 8.290 nan 0.000 0.494 2 F N 1.444 121.356 119.950 -0.063 0.000 2.404 2 F HA 0.472 4.999 4.527 0.000 0.000 0.339 2 F C -0.108 175.624 175.800 -0.114 0.000 1.105 2 F CA -0.174 57.778 58.000 -0.081 0.000 1.087 2 F CB 0.881 39.858 39.000 -0.038 0.000 1.143 2 F HN 0.485 nan 8.300 nan 0.000 0.491 3 Y N 6.289 126.534 120.300 -0.090 0.000 2.511 3 Y HA 0.148 4.698 4.550 -0.000 0.000 0.332 3 Y C -1.404 174.493 175.900 -0.005 0.000 1.177 3 Y CA -1.818 56.185 58.100 -0.160 0.000 1.422 3 Y CB 0.656 38.890 38.460 -0.376 0.000 1.271 3 Y HN 0.448 nan 8.280 nan 0.000 0.550 4 P HA -0.113 nan 4.420 nan 0.000 0.218 4 P C -0.811 176.341 177.300 -0.247 0.000 1.148 4 P CA 1.575 64.451 63.100 -0.374 0.000 0.822 4 P CB 0.283 31.718 31.700 -0.443 0.000 0.784 5 D N -0.473 119.792 120.400 -0.225 0.000 2.362 5 D HA 0.329 4.969 4.640 -0.000 0.000 0.247 5 D C -2.513 173.745 176.300 -0.071 0.000 1.050 5 D CA -1.812 52.123 54.000 -0.109 0.000 0.839 5 D CB 1.569 42.287 40.800 -0.137 0.000 1.283 5 D HN 0.073 nan 8.370 nan 0.000 0.477 6 P HA 0.484 nan 4.420 nan 0.000 0.285 6 P C -1.043 176.079 177.300 -0.298 0.000 1.269 6 P CA -0.560 62.495 63.100 -0.076 0.000 0.844 6 P CB 1.049 32.743 31.700 -0.011 0.000 1.094 7 F N -0.340 119.681 119.950 0.119 0.000 2.556 7 F HA 0.298 4.825 4.527 -0.000 0.000 0.327 7 F C 1.652 177.482 175.800 0.051 0.000 1.059 7 F CA -0.301 57.740 58.000 0.068 0.000 0.953 7 F CB 1.062 40.081 39.000 0.031 0.000 1.227 7 F HN 0.196 nan 8.300 nan 0.000 0.478 8 D N 0.368 120.901 120.400 0.222 0.000 2.103 8 D HA 0.016 4.656 4.640 -0.000 0.000 0.199 8 D C 0.006 176.386 176.300 0.133 0.000 0.978 8 D CA 1.560 55.642 54.000 0.138 0.000 0.829 8 D CB 0.310 41.164 40.800 0.090 0.000 0.981 8 D HN 0.029 nan 8.370 nan 0.000 0.464 9 V N 1.444 121.438 119.914 0.132 0.000 2.638 9 V HA 0.363 4.483 4.120 -0.000 0.000 0.306 9 V C -0.226 175.848 176.094 -0.033 0.000 1.052 9 V CA -0.715 61.615 62.300 0.050 0.000 0.885 9 V CB 2.600 34.425 31.823 0.002 0.000 0.999 9 V HN -0.088 nan 8.190 nan 0.000 0.424 10 I N 5.277 125.813 120.570 -0.056 0.000 2.354 10 I HA 0.469 4.639 4.170 -0.000 0.000 0.292 10 I C -0.730 175.320 176.117 -0.112 0.000 0.989 10 I CA -0.547 60.650 61.300 -0.173 0.000 1.188 10 I CB 1.661 39.558 38.000 -0.172 0.000 1.342 10 I HN 0.349 nan 8.210 nan 0.000 0.457 11 I N 7.272 127.753 120.570 -0.148 0.000 2.321 11 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 11 I C -0.027 176.036 176.117 -0.089 0.000 0.998 11 I CA -0.409 60.839 61.300 -0.086 0.000 1.227 11 I CB 1.275 39.229 38.000 -0.077 0.000 1.368 11 I HN 0.426 nan 8.210 nan 0.000 0.466 12 I N 5.092 125.637 120.570 -0.042 0.000 2.328 12 I HA 0.589 4.759 4.170 -0.000 0.000 0.287 12 I C 0.486 176.631 176.117 0.047 0.000 1.012 12 I CA -0.253 61.038 61.300 -0.015 0.000 1.195 12 I CB 1.410 39.389 38.000 -0.035 0.000 1.350 12 I HN 0.807 nan 8.210 nan 0.000 0.464 13 G N 3.622 112.452 108.800 0.050 0.000 3.225 13 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.686 13 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.686 13 G C 0.028 174.939 174.900 0.018 0.000 1.105 13 G CA -0.466 44.670 45.100 0.059 0.000 0.831 13 G HN 0.984 nan 8.290 nan 0.000 0.578 14 G N 0.918 109.726 108.800 0.012 0.000 3.959 14 G HA2 0.667 4.627 3.960 -0.000 0.000 0.298 14 G HA3 0.667 4.627 3.960 -0.000 0.000 0.298 14 G C 1.038 175.893 174.900 -0.075 0.000 1.211 14 G CA 0.960 46.043 45.100 -0.030 0.000 1.001 14 G HN 1.372 nan 8.290 nan 0.000 0.561 15 G N -0.453 108.297 108.800 -0.084 0.000 2.529 15 G HA2 0.106 4.066 3.960 -0.000 0.000 0.277 15 G HA3 0.106 4.066 3.960 -0.000 0.000 0.277 15 G C 0.949 175.728 174.900 -0.202 0.000 1.383 15 G CA -0.352 44.633 45.100 -0.191 0.000 1.050 15 G HN 0.364 nan 8.290 nan 0.000 0.526 16 H N -0.360 118.722 119.070 0.019 0.000 2.387 16 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 16 H C 2.784 178.137 175.328 0.042 0.000 1.090 16 H CA 1.408 57.478 56.048 0.037 0.000 1.332 16 H CB -0.511 29.285 29.762 0.057 0.000 1.386 16 H HN 0.426 nan 8.280 nan 0.000 0.516 17 A N 1.099 124.000 122.820 0.136 0.000 1.855 17 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 17 A C 2.882 180.501 177.584 0.058 0.000 1.191 17 A CA 1.478 53.573 52.037 0.097 0.000 0.613 17 A CB -1.220 17.835 19.000 0.091 0.000 0.829 17 A HN 0.441 nan 8.150 nan 0.000 0.442 18 G N -0.955 107.863 108.800 0.031 0.000 2.469 18 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.219 18 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.219 18 G C 1.583 176.480 174.900 -0.005 0.000 1.150 18 G CA 1.788 46.892 45.100 0.007 0.000 0.763 18 G HN 0.427 nan 8.290 nan 0.000 0.561 19 T N 0.992 115.542 114.554 -0.006 0.000 2.635 19 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 19 T C 2.263 176.968 174.700 0.009 0.000 1.040 19 T CA 1.577 63.672 62.100 -0.008 0.000 1.156 19 T CB -0.160 68.705 68.868 -0.006 0.000 0.863 19 T HN 0.277 nan 8.240 nan 0.000 0.430 20 E N 0.961 121.182 120.200 0.035 0.000 2.152 20 E HA 0.065 4.415 4.350 -0.000 0.000 0.192 20 E C 2.522 179.136 176.600 0.024 0.000 0.983 20 E CA 0.881 57.304 56.400 0.038 0.000 0.818 20 E CB -0.466 29.272 29.700 0.063 0.000 0.758 20 E HN 0.511 nan 8.360 nan 0.000 0.467 21 A N 1.743 124.574 122.820 0.019 0.000 1.877 21 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 21 A C 2.436 180.007 177.584 -0.020 0.000 1.186 21 A CA 2.041 54.077 52.037 -0.001 0.000 0.620 21 A CB -0.563 18.439 19.000 0.004 0.000 0.822 21 A HN 0.267 nan 8.150 nan 0.000 0.443 22 A N -0.778 122.028 122.820 -0.023 0.000 1.873 22 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 22 A C 2.188 179.758 177.584 -0.024 0.000 1.186 22 A CA 1.925 53.940 52.037 -0.036 0.000 0.616 22 A CB -0.506 18.466 19.000 -0.047 0.000 0.823 22 A HN 0.420 nan 8.150 nan 0.000 0.442 23 M N -0.188 119.403 119.600 -0.015 0.000 2.149 23 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 23 M C 2.473 178.769 176.300 -0.007 0.000 1.064 23 M CA 1.652 56.947 55.300 -0.009 0.000 1.102 23 M CB -1.564 31.034 32.600 -0.003 0.000 1.369 23 M HN 0.505 nan 8.290 nan 0.000 0.408 24 A N 0.359 123.175 122.820 -0.006 0.000 1.841 24 A HA 0.024 4.344 4.320 -0.000 0.000 0.214 24 A C 2.480 180.051 177.584 -0.021 0.000 1.195 24 A CA 2.231 54.262 52.037 -0.009 0.000 0.611 24 A CB -1.123 17.876 19.000 -0.002 0.000 0.835 24 A HN 0.457 nan 8.150 nan 0.000 0.443 25 A N -0.130 122.673 122.820 -0.029 0.000 1.892 25 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 25 A C 2.531 180.107 177.584 -0.013 0.000 1.188 25 A CA 2.634 54.653 52.037 -0.030 0.000 0.631 25 A CB -1.145 17.833 19.000 -0.037 0.000 0.822 25 A HN 1.134 nan 8.150 nan 0.000 0.447 26 A N 0.557 123.372 122.820 -0.008 0.000 1.873 26 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 26 A C 2.207 179.791 177.584 0.000 0.000 1.186 26 A CA 1.787 53.826 52.037 0.004 0.000 0.616 26 A CB -0.533 18.470 19.000 0.004 0.000 0.823 26 A HN 0.727 nan 8.150 nan 0.000 0.442 27 R N -0.728 119.768 120.500 -0.006 0.000 2.189 27 R HA 0.085 4.425 4.340 -0.000 0.000 0.223 27 R C 1.580 177.868 176.300 -0.020 0.000 1.092 27 R CA 1.559 57.653 56.100 -0.010 0.000 0.989 27 R CB -0.508 29.787 30.300 -0.009 0.000 0.876 27 R HN 0.440 nan 8.270 nan 0.000 0.457 28 M N 0.539 120.125 119.600 -0.024 0.000 2.630 28 M HA 0.140 4.620 4.480 -0.000 0.000 0.254 28 M C 0.907 177.193 176.300 -0.023 0.000 1.092 28 M CA 1.310 56.590 55.300 -0.033 0.000 1.087 28 M CB 0.481 33.059 32.600 -0.037 0.000 1.453 28 M HN 0.656 nan 8.290 nan 0.000 0.509 29 G N -0.608 108.186 108.800 -0.011 0.000 2.176 29 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.232 29 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.232 29 G C -0.056 174.848 174.900 0.008 0.000 0.986 29 G CA -0.406 44.692 45.100 -0.003 0.000 0.643 29 G HN 0.385 nan 8.290 nan 0.000 0.522 30 Q N 0.628 120.436 119.800 0.012 0.000 2.293 30 Q HA 0.390 4.730 4.340 -0.000 0.000 0.251 30 Q C 0.293 176.328 176.000 0.058 0.000 0.930 30 Q CA -0.210 55.610 55.803 0.029 0.000 0.893 30 Q CB 0.859 29.610 28.738 0.022 0.000 1.215 30 Q HN 0.401 nan 8.270 nan 0.000 0.425 31 Q N 1.665 121.517 119.800 0.086 0.000 2.281 31 Q HA 0.219 4.559 4.340 -0.000 0.000 0.267 31 Q C -0.556 175.608 176.000 0.274 0.000 1.053 31 Q CA 0.382 56.282 55.803 0.161 0.000 0.905 31 Q CB 0.372 29.178 28.738 0.114 0.000 1.195 31 Q HN 0.414 nan 8.270 nan 0.000 0.398 32 T N 2.789 117.483 114.554 0.233 0.000 2.861 32 T HA 0.489 4.839 4.350 -0.000 0.000 0.287 32 T C -0.691 173.924 174.700 -0.143 0.000 1.003 32 T CA -0.652 61.484 62.100 0.060 0.000 0.977 32 T CB 1.348 70.214 68.868 -0.004 0.000 0.996 32 T HN 0.361 nan 8.240 nan 0.000 0.448 33 L N 3.734 124.621 121.223 -0.560 0.000 2.307 33 L HA 0.741 5.081 4.340 -0.000 0.000 0.284 33 L C -1.258 175.337 176.870 -0.459 0.000 1.023 33 L CA -0.948 53.388 54.840 -0.840 0.000 0.810 33 L CB 1.159 42.197 42.059 -1.702 0.000 1.231 33 L HN 0.552 nan 8.230 nan 0.000 0.423 34 L N 6.135 127.168 121.223 -0.317 0.000 2.280 34 L HA 0.522 4.862 4.340 -0.000 0.000 0.287 34 L C -1.243 175.514 176.870 -0.188 0.000 1.023 34 L CA -0.053 54.665 54.840 -0.203 0.000 0.819 34 L CB 1.002 42.990 42.059 -0.118 0.000 1.212 34 L HN 0.600 nan 8.230 nan 0.000 0.420 35 L N 4.965 126.086 121.223 -0.170 0.000 2.265 35 L HA 0.523 4.863 4.340 -0.000 0.000 0.289 35 L C 0.191 177.050 176.870 -0.019 0.000 1.033 35 L CA -0.074 54.711 54.840 -0.092 0.000 0.814 35 L CB 1.528 43.526 42.059 -0.101 0.000 1.203 35 L HN 0.677 nan 8.230 nan 0.000 0.423 36 T N -0.261 114.290 114.554 -0.005 0.000 2.893 36 T HA 0.257 4.607 4.350 -0.000 0.000 0.291 36 T C 0.820 175.552 174.700 0.053 0.000 1.028 36 T CA -0.483 61.638 62.100 0.035 0.000 0.995 36 T CB 0.996 69.855 68.868 -0.015 0.000 1.051 36 T HN 0.782 nan 8.240 nan 0.000 0.470 37 H N 2.837 121.892 119.070 -0.026 0.000 2.524 37 H HA 0.303 4.859 4.556 -0.000 0.000 0.282 37 H C 0.662 175.960 175.328 -0.050 0.000 1.016 37 H CA 0.453 56.484 56.048 -0.028 0.000 1.270 37 H CB 0.149 29.907 29.762 -0.007 0.000 1.394 37 H HN 0.507 nan 8.280 nan 0.000 0.568 38 N N -0.124 118.275 118.700 -0.501 0.000 2.697 38 N HA 0.092 4.832 4.740 -0.000 0.000 0.271 38 N C -0.118 175.226 175.510 -0.276 0.000 1.149 38 N CA -0.329 52.446 53.050 -0.458 0.000 0.939 38 N CB 1.037 39.115 38.487 -0.681 0.000 1.534 38 N HN 0.101 nan 8.380 nan 0.000 0.556 39 I N 1.345 121.803 120.570 -0.187 0.000 2.493 39 I HA -0.162 4.008 4.170 -0.000 0.000 0.254 39 I C 0.841 176.889 176.117 -0.115 0.000 1.160 39 I CA 0.906 62.127 61.300 -0.131 0.000 1.445 39 I CB 0.026 37.959 38.000 -0.110 0.000 1.086 39 I HN 0.579 nan 8.210 nan 0.000 0.433 40 D N -0.055 120.271 120.400 -0.124 0.000 2.347 40 D HA -0.054 4.586 4.640 -0.000 0.000 0.213 40 D C 1.896 178.144 176.300 -0.087 0.000 0.985 40 D CA 1.127 55.072 54.000 -0.092 0.000 0.879 40 D CB 0.084 40.835 40.800 -0.082 0.000 0.919 40 D HN 0.374 nan 8.370 nan 0.000 0.526 41 T N -1.717 112.768 114.554 -0.115 0.000 3.163 41 T HA 0.213 4.563 4.350 -0.000 0.000 0.252 41 T C 0.973 175.627 174.700 -0.077 0.000 1.056 41 T CA -0.359 61.692 62.100 -0.082 0.000 0.947 41 T CB -0.273 68.555 68.868 -0.066 0.000 1.016 41 T HN -0.067 nan 8.240 nan 0.000 0.554 42 L N 1.896 123.068 121.223 -0.086 0.000 2.559 42 L HA 0.412 4.752 4.340 -0.000 0.000 0.274 42 L C 1.592 178.420 176.870 -0.070 0.000 1.205 42 L CA 1.089 55.878 54.840 -0.086 0.000 0.907 42 L CB -0.062 41.947 42.059 -0.084 0.000 1.153 42 L HN 0.554 nan 8.230 nan 0.000 0.490 43 G N 2.046 110.800 108.800 -0.077 0.000 2.157 43 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.248 43 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.248 43 G C 0.156 175.107 174.900 0.085 0.000 0.979 43 G CA 0.094 45.226 45.100 0.053 0.000 0.650 43 G HN 0.625 nan 8.290 nan 0.000 0.529 44 Q N -0.009 119.752 119.800 -0.065 0.000 2.361 44 Q HA 0.617 4.957 4.340 -0.000 0.000 0.276 44 Q C 0.575 176.498 176.000 -0.128 0.000 1.022 44 Q CA 0.524 56.287 55.803 -0.067 0.000 0.898 44 Q CB 0.246 28.953 28.738 -0.052 0.000 1.246 44 Q HN 0.430 nan 8.270 nan 0.000 0.410 45 M N 2.973 122.482 119.600 -0.152 0.000 2.114 45 M HA 0.227 4.707 4.480 -0.000 0.000 0.332 45 M C 0.367 176.632 176.300 -0.057 0.000 1.014 45 M CA -0.381 54.730 55.300 -0.315 0.000 0.956 45 M CB 1.776 34.062 32.600 -0.523 0.000 1.551 45 M HN 0.741 nan 8.290 nan 0.000 0.427 46 S N 0.514 116.268 115.700 0.091 0.000 2.428 46 S HA -0.021 4.449 4.470 -0.000 0.000 0.230 46 S C 0.827 175.542 174.600 0.191 0.000 1.014 46 S CA 0.292 58.598 58.200 0.177 0.000 0.957 46 S CB -0.110 63.221 63.200 0.217 0.000 0.784 46 S HN 0.775 nan 8.310 nan 0.000 0.499 47 C N 2.138 121.578 119.300 0.233 0.000 2.920 47 C HA 0.372 4.832 4.460 -0.000 0.000 0.114 47 C C 0.746 175.619 174.990 -0.194 0.000 2.675 47 C CA -1.048 58.045 59.018 0.126 0.000 1.955 47 C CB -0.660 27.117 27.740 0.063 0.000 3.024 47 C HN 0.614 nan 8.230 nan 0.000 0.366 48 N N 3.310 121.700 118.700 -0.517 0.000 2.453 48 N HA 0.096 4.836 4.740 -0.000 0.000 0.253 48 N C -2.785 172.444 175.510 -0.468 0.000 1.252 48 N CA -0.527 51.865 53.050 -1.096 0.000 0.917 48 N CB -0.139 37.882 38.487 -0.777 0.000 1.117 48 N HN 0.368 nan 8.380 nan 0.000 0.442 49 P HA 0.269 nan 4.420 nan 0.000 0.225 49 P C -1.292 175.865 177.300 -0.238 0.000 1.813 49 P CA -0.215 62.723 63.100 -0.270 0.000 1.013 49 P CB -0.190 31.383 31.700 -0.212 0.000 1.961 50 A N 2.398 125.101 122.820 -0.195 0.000 2.572 50 A HA 0.785 5.105 4.320 -0.000 0.000 0.295 50 A C -1.282 176.197 177.584 -0.175 0.000 1.072 50 A CA -0.692 51.218 52.037 -0.212 0.000 0.691 50 A CB 1.384 20.248 19.000 -0.226 0.000 1.291 50 A HN 0.232 nan 8.150 nan 0.000 0.404 51 I N 1.074 121.516 120.570 -0.213 0.000 2.466 51 I HA 0.645 4.815 4.170 -0.000 0.000 0.289 51 I C 0.615 176.656 176.117 -0.127 0.000 1.026 51 I CA 0.600 61.767 61.300 -0.222 0.000 1.078 51 I CB 2.094 39.886 38.000 -0.347 0.000 1.249 51 I HN 1.485 nan 8.210 nan 0.000 0.429 52 G N 3.777 112.507 108.800 -0.117 0.000 2.428 52 G HA2 0.418 4.378 3.960 -0.000 0.000 0.202 52 G HA3 0.418 4.378 3.960 -0.000 0.000 0.202 52 G C -0.199 174.634 174.900 -0.111 0.000 1.247 52 G CA -0.081 45.043 45.100 0.039 0.000 1.020 52 G HN 1.607 nan 8.290 nan 0.000 0.529 53 G N -1.708 107.030 108.800 -0.104 0.000 2.483 53 G HA2 0.334 4.293 3.960 -0.000 0.000 0.521 53 G HA3 0.334 4.293 3.960 -0.000 0.000 0.521 53 G C -0.136 174.607 174.900 -0.260 0.000 1.278 53 G CA -0.002 44.965 45.100 -0.221 0.000 0.965 53 G HN 1.694 nan 8.290 nan 0.000 0.504 54 I N 2.272 122.625 120.570 -0.361 0.000 2.752 54 I HA 0.295 4.465 4.170 -0.000 0.000 0.286 54 I C 1.825 177.515 176.117 -0.712 0.000 1.180 54 I CA 2.509 63.492 61.300 -0.528 0.000 1.404 54 I CB 0.187 37.916 38.000 -0.450 0.000 1.389 54 I HN 2.155 nan 8.210 nan 0.000 0.549 55 G N 4.992 113.257 108.800 -0.891 0.000 2.900 55 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.223 55 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.223 55 G C 1.282 176.080 174.900 -0.170 0.000 1.293 55 G CA 0.453 45.108 45.100 -0.742 0.000 0.792 55 G HN 0.550 nan 8.290 nan 0.000 0.527 56 K N 0.664 120.980 120.400 -0.139 0.000 2.020 56 K HA -0.025 4.295 4.320 -0.000 0.000 0.212 56 K C 2.777 179.378 176.600 0.002 0.000 1.050 56 K CA 1.747 57.989 56.287 -0.075 0.000 0.929 56 K CB -0.661 31.731 32.500 -0.180 0.000 0.714 56 K HN 0.501 nan 8.250 nan 0.000 0.443 57 G N 0.641 109.457 108.800 0.028 0.000 2.422 57 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 57 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 57 G C 0.962 175.919 174.900 0.095 0.000 1.146 57 G CA 1.188 46.380 45.100 0.152 0.000 0.769 57 G HN 0.340 nan 8.290 nan 0.000 0.547 58 H N -0.329 118.750 119.070 0.015 0.000 2.352 58 H HA -0.031 4.525 4.556 -0.000 0.000 0.299 58 H C 2.432 177.860 175.328 0.166 0.000 1.097 58 H CA 1.142 57.253 56.048 0.104 0.000 1.311 58 H CB -0.259 29.512 29.762 0.015 0.000 1.377 58 H HN 0.213 nan 8.280 nan 0.000 0.504 59 L N -0.061 121.303 121.223 0.235 0.000 2.027 59 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 59 L C 2.399 179.360 176.870 0.152 0.000 1.074 59 L CA 1.051 56.006 54.840 0.192 0.000 0.745 59 L CB -0.779 41.355 42.059 0.126 0.000 0.898 59 L HN 0.163 nan 8.230 nan 0.000 0.433 60 V N -0.348 119.626 119.914 0.100 0.000 2.332 60 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 60 V C 2.590 178.766 176.094 0.137 0.000 1.055 60 V CA 1.434 63.760 62.300 0.043 0.000 1.038 60 V CB -0.643 31.082 31.823 -0.163 0.000 0.651 60 V HN 0.408 nan 8.190 nan 0.000 0.450 61 K N -0.017 120.508 120.400 0.209 0.000 2.147 61 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 61 K C 2.040 178.851 176.600 0.351 0.000 1.049 61 K CA 1.339 57.776 56.287 0.251 0.000 0.936 61 K CB -0.226 32.401 32.500 0.212 0.000 0.722 61 K HN 0.613 nan 8.250 nan 0.000 0.446 62 E N 0.432 120.803 120.200 0.285 0.000 2.072 62 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 62 E C 2.105 178.830 176.600 0.209 0.000 0.982 62 E CA 0.645 57.199 56.400 0.257 0.000 0.803 62 E CB -0.001 29.852 29.700 0.255 0.000 0.755 62 E HN -0.057 nan 8.360 nan 0.000 0.453 63 V N 1.717 121.738 119.914 0.178 0.000 2.252 63 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 63 V C 2.066 178.245 176.094 0.142 0.000 1.056 63 V CA 2.349 64.733 62.300 0.140 0.000 1.022 63 V CB -0.505 31.381 31.823 0.105 0.000 0.641 63 V HN 0.291 nan 8.190 nan 0.000 0.445 64 D N -0.071 120.434 120.400 0.175 0.000 2.097 64 D HA -0.157 4.483 4.640 -0.000 0.000 0.195 64 D C 2.115 178.554 176.300 0.232 0.000 0.989 64 D CA 1.455 55.578 54.000 0.205 0.000 0.827 64 D CB -0.256 40.691 40.800 0.245 0.000 0.966 64 D HN 0.374 nan 8.370 nan 0.000 0.456 65 A N -0.139 122.850 122.820 0.280 0.000 2.042 65 A HA -0.131 4.189 4.320 -0.000 0.000 0.222 65 A C 1.997 179.589 177.584 0.013 0.000 1.167 65 A CA 1.091 53.188 52.037 0.101 0.000 0.649 65 A CB -0.650 18.380 19.000 0.051 0.000 0.809 65 A HN 0.420 nan 8.150 nan 0.000 0.457 66 L N -1.298 119.959 121.223 0.057 0.000 2.741 66 L HA 0.300 4.640 4.340 -0.000 0.000 0.237 66 L C 1.406 178.289 176.870 0.021 0.000 1.178 66 L CA 0.368 55.219 54.840 0.017 0.000 0.973 66 L CB -0.013 42.081 42.059 0.058 0.000 1.255 66 L HN 0.542 nan 8.230 nan 0.000 0.498 67 G N -0.122 108.705 108.800 0.044 0.000 2.143 67 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.248 67 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.248 67 G C 0.578 175.506 174.900 0.047 0.000 0.991 67 G CA -0.005 45.120 45.100 0.043 0.000 0.689 67 G HN 0.517 nan 8.290 nan 0.000 0.522 68 G N -1.505 107.332 108.800 0.062 0.000 2.553 68 G HA2 0.575 4.535 3.960 -0.000 0.000 0.278 68 G HA3 0.575 4.535 3.960 -0.000 0.000 0.278 68 G C 1.037 175.967 174.900 0.051 0.000 1.349 68 G CA 0.012 45.145 45.100 0.055 0.000 1.037 68 G HN 0.613 nan 8.290 nan 0.000 0.508 69 L N -0.852 120.394 121.223 0.039 0.000 2.467 69 L HA 0.241 4.581 4.340 -0.000 0.000 0.213 69 L C 2.694 179.572 176.870 0.014 0.000 1.053 69 L CA 0.297 55.147 54.840 0.016 0.000 0.847 69 L CB -0.041 42.014 42.059 -0.007 0.000 1.075 69 L HN 0.734 nan 8.230 nan 0.000 0.479 70 M N 0.207 119.829 119.600 0.036 0.000 2.108 70 M HA -0.279 4.201 4.480 -0.000 0.000 0.257 70 M C 2.126 178.422 176.300 -0.007 0.000 1.071 70 M CA 2.442 57.770 55.300 0.048 0.000 1.093 70 M CB -0.124 32.499 32.600 0.038 0.000 1.345 70 M HN 0.318 nan 8.290 nan 0.000 0.403 71 A N 0.064 122.875 122.820 -0.015 0.000 1.898 71 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 71 A C 2.051 179.686 177.584 0.085 0.000 1.181 71 A CA 1.949 53.986 52.037 0.000 0.000 0.620 71 A CB -0.575 18.477 19.000 0.086 0.000 0.819 71 A HN 0.598 nan 8.150 nan 0.000 0.442 72 K N -0.335 120.106 120.400 0.069 0.000 2.097 72 K HA -0.020 4.299 4.320 -0.000 0.000 0.205 72 K C 2.318 178.948 176.600 0.050 0.000 1.050 72 K CA 1.012 57.340 56.287 0.068 0.000 0.938 72 K CB -0.298 32.227 32.500 0.042 0.000 0.718 72 K HN 0.438 nan 8.250 nan 0.000 0.442 73 A N 1.384 124.198 122.820 -0.010 0.000 1.877 73 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 73 A C 2.105 179.724 177.584 0.058 0.000 1.186 73 A CA 1.326 53.294 52.037 -0.115 0.000 0.620 73 A CB -0.431 18.316 19.000 -0.421 0.000 0.822 73 A HN 0.258 nan 8.150 nan 0.000 0.443 74 I N 0.130 120.816 120.570 0.192 0.000 2.546 74 I HA -0.138 4.032 4.170 -0.000 0.000 0.255 74 I C 1.276 177.601 176.117 0.346 0.000 1.163 74 I CA 1.381 62.825 61.300 0.240 0.000 1.457 74 I CB -0.362 37.658 38.000 0.032 0.000 1.092 74 I HN 0.228 nan 8.210 nan 0.000 0.434 75 D N 0.233 120.856 120.400 0.371 0.000 2.182 75 D HA -0.181 4.459 4.640 -0.000 0.000 0.201 75 D C 1.991 178.547 176.300 0.427 0.000 0.986 75 D CA 1.002 55.288 54.000 0.476 0.000 0.847 75 D CB -0.066 40.931 40.800 0.328 0.000 0.942 75 D HN 0.433 nan 8.370 nan 0.000 0.467 76 Q N -0.477 119.470 119.800 0.245 0.000 2.269 76 Q HA 0.126 4.466 4.340 -0.000 0.000 0.201 76 Q C 1.584 177.684 176.000 0.167 0.000 0.946 76 Q CA 0.709 56.614 55.803 0.169 0.000 0.877 76 Q CB 0.241 29.024 28.738 0.074 0.000 0.963 76 Q HN 0.234 nan 8.270 nan 0.000 0.472 77 A N 0.106 123.035 122.820 0.181 0.000 2.431 77 A HA 0.391 4.711 4.320 -0.000 0.000 0.239 77 A C 0.988 178.634 177.584 0.103 0.000 1.230 77 A CA 0.266 52.392 52.037 0.149 0.000 0.928 77 A CB 0.288 19.413 19.000 0.210 0.000 1.006 77 A HN 0.182 nan 8.150 nan 0.000 0.520 78 G N 0.630 109.501 108.800 0.118 0.000 2.333 78 G HA2 0.466 4.426 3.960 -0.000 0.000 0.290 78 G HA3 0.466 4.426 3.960 -0.000 0.000 0.290 78 G C 0.583 175.453 174.900 -0.050 0.000 1.150 78 G CA -0.162 44.849 45.100 -0.150 0.000 0.895 78 G HN 0.646 nan 8.290 nan 0.000 0.444 79 I N -1.032 119.454 120.570 -0.139 0.000 4.018 79 I HA 0.413 4.583 4.170 -0.000 0.000 0.337 79 I C 0.184 176.270 176.117 -0.052 0.000 1.327 79 I CA -0.201 61.080 61.300 -0.032 0.000 1.100 79 I CB 0.410 38.397 38.000 -0.022 0.000 1.025 79 I HN 0.383 nan 8.210 nan 0.000 0.396 80 Q N 1.528 121.216 119.800 -0.186 0.000 2.313 80 Q HA 0.438 4.778 4.340 -0.000 0.000 0.260 80 Q C -2.278 173.545 176.000 -0.295 0.000 0.972 80 Q CA -0.481 55.251 55.803 -0.119 0.000 0.886 80 Q CB 2.478 31.143 28.738 -0.120 0.000 1.373 80 Q HN 0.235 nan 8.270 nan 0.000 0.416 81 F N 2.183 122.071 119.950 -0.103 0.000 2.529 81 F HA 0.622 5.149 4.527 -0.000 0.000 0.320 81 F C -0.186 175.548 175.800 -0.110 0.000 1.118 81 F CA -0.484 57.439 58.000 -0.128 0.000 0.915 81 F CB 2.061 40.962 39.000 -0.164 0.000 1.161 81 F HN 0.368 nan 8.300 nan 0.000 0.445 82 R N 3.291 123.799 120.500 0.014 0.000 2.651 82 R HA 0.591 4.930 4.340 -0.000 0.000 0.278 82 R C -1.509 174.740 176.300 -0.084 0.000 1.010 82 R CA -0.894 55.185 56.100 -0.035 0.000 0.896 82 R CB 2.444 32.704 30.300 -0.068 0.000 1.211 82 R HN 0.415 nan 8.270 nan 0.000 0.456 83 I N 4.570 125.093 120.570 -0.079 0.000 2.325 83 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 83 I C 0.223 176.290 176.117 -0.084 0.000 1.019 83 I CA -0.302 60.937 61.300 -0.102 0.000 1.302 83 I CB 0.713 38.661 38.000 -0.087 0.000 1.401 83 I HN 0.455 nan 8.210 nan 0.000 0.485 84 L N 6.820 127.984 121.223 -0.098 0.000 2.379 84 L HA 0.386 4.726 4.340 -0.000 0.000 0.269 84 L C 0.726 177.565 176.870 -0.051 0.000 1.084 84 L CA -0.643 54.149 54.840 -0.079 0.000 0.802 84 L CB 0.324 42.321 42.059 -0.104 0.000 1.175 84 L HN 0.591 nan 8.230 nan 0.000 0.448 85 N N 0.715 119.399 118.700 -0.028 0.000 2.725 85 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 85 N C 0.899 176.410 175.510 0.001 0.000 1.103 85 N CA 0.936 53.984 53.050 -0.003 0.000 0.707 85 N CB -0.893 37.603 38.487 0.014 0.000 1.043 85 N HN 0.865 nan 8.380 nan 0.000 0.553 86 A N 0.140 122.956 122.820 -0.008 0.000 2.024 86 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 86 A C 2.051 179.644 177.584 0.014 0.000 1.164 86 A CA 1.942 53.975 52.037 -0.005 0.000 0.643 86 A CB -0.344 18.650 19.000 -0.011 0.000 0.806 86 A HN 0.655 nan 8.150 nan 0.000 0.451 87 S N -1.737 113.974 115.700 0.019 0.000 2.631 87 S HA 0.183 4.653 4.470 -0.000 0.000 0.217 87 S C 1.076 175.701 174.600 0.042 0.000 0.958 87 S CA 0.553 58.772 58.200 0.031 0.000 0.920 87 S CB -0.031 63.185 63.200 0.026 0.000 0.776 87 S HN 0.528 nan 8.310 nan 0.000 0.517 88 K N 0.964 121.387 120.400 0.040 0.000 2.387 88 K HA 0.389 4.709 4.320 -0.000 0.000 0.203 88 K C 0.426 177.057 176.600 0.052 0.000 1.030 88 K CA 0.275 56.590 56.287 0.046 0.000 1.099 88 K CB 0.771 33.294 32.500 0.040 0.000 0.863 88 K HN 0.502 nan 8.250 nan 0.000 0.529 89 G N 1.841 110.672 108.800 0.051 0.000 2.879 89 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.686 89 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.686 89 G C -2.411 172.447 174.900 -0.070 0.000 1.115 89 G CA -1.016 44.089 45.100 0.009 0.000 0.770 89 G HN -0.099 nan 8.290 nan 0.000 0.601 90 P HA 0.020 nan 4.420 nan 0.000 0.218 90 P C 2.112 179.410 177.300 -0.004 0.000 1.149 90 P CA 2.111 65.136 63.100 -0.124 0.000 0.817 90 P CB 0.098 31.660 31.700 -0.228 0.000 0.785 91 A N -0.768 122.052 122.820 0.000 0.000 2.070 91 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 91 A C 2.155 179.930 177.584 0.320 0.000 1.159 91 A CA 1.533 53.656 52.037 0.145 0.000 0.656 91 A CB -1.270 17.765 19.000 0.058 0.000 0.800 91 A HN 0.153 nan 8.150 nan 0.000 0.453 92 V N -0.777 119.269 119.914 0.221 0.000 3.645 92 V HA 0.109 4.229 4.120 -0.000 0.000 0.275 92 V C 0.770 176.976 176.094 0.186 0.000 1.356 92 V CA -0.085 62.374 62.300 0.265 0.000 1.051 92 V CB -0.259 31.654 31.823 0.149 0.000 0.828 92 V HN 0.426 nan 8.190 nan 0.000 0.441 93 R N 1.222 121.786 120.500 0.106 0.000 2.442 93 R HA 0.559 4.898 4.340 -0.000 0.000 0.291 93 R C -0.158 176.097 176.300 -0.073 0.000 1.069 93 R CA 0.536 56.640 56.100 0.006 0.000 1.022 93 R CB 0.855 31.138 30.300 -0.027 0.000 0.976 93 R HN 0.364 nan 8.270 nan 0.000 0.443 94 A N 2.307 125.055 122.820 -0.119 0.000 2.422 94 A HA 0.429 4.749 4.320 -0.000 0.000 0.302 94 A C -0.614 176.841 177.584 -0.214 0.000 1.041 94 A CA -0.744 51.172 52.037 -0.203 0.000 0.708 94 A CB 1.757 20.666 19.000 -0.152 0.000 1.257 94 A HN 0.585 nan 8.150 nan 0.000 0.414 95 T N 1.941 116.318 114.554 -0.294 0.000 2.856 95 T HA 0.551 4.901 4.350 -0.000 0.000 0.292 95 T C 0.079 174.644 174.700 -0.224 0.000 0.980 95 T CA -0.071 61.780 62.100 -0.416 0.000 1.091 95 T CB 0.508 68.814 68.868 -0.938 0.000 0.936 95 T HN 0.637 nan 8.240 nan 0.000 0.503 96 R N 1.072 121.473 120.500 -0.164 0.000 2.621 96 R HA 0.678 5.018 4.340 -0.000 0.000 0.284 96 R C -1.788 174.439 176.300 -0.122 0.000 0.998 96 R CA -0.666 55.401 56.100 -0.054 0.000 0.895 96 R CB 1.425 31.641 30.300 -0.140 0.000 1.195 96 R HN 0.742 nan 8.270 nan 0.000 0.450 97 A N 3.603 126.345 122.820 -0.129 0.000 2.393 97 A HA 0.410 4.730 4.320 -0.000 0.000 0.306 97 A C -1.065 176.300 177.584 -0.364 0.000 1.050 97 A CA -0.802 50.960 52.037 -0.458 0.000 0.724 97 A CB 1.896 20.420 19.000 -0.793 0.000 1.248 97 A HN 0.590 nan 8.150 nan 0.000 0.424 98 Q N 0.575 120.156 119.800 -0.366 0.000 2.352 98 Q HA 0.517 4.857 4.340 -0.000 0.000 0.260 98 Q C 0.023 175.860 176.000 -0.271 0.000 0.976 98 Q CA 0.242 55.885 55.803 -0.266 0.000 0.881 98 Q CB 1.578 30.201 28.738 -0.192 0.000 1.235 98 Q HN 0.857 nan 8.270 nan 0.000 0.419 99 A N 2.259 124.950 122.820 -0.214 0.000 2.350 99 A HA 0.283 4.603 4.320 -0.000 0.000 0.324 99 A C -0.552 176.976 177.584 -0.094 0.000 1.118 99 A CA -0.709 51.228 52.037 -0.166 0.000 0.783 99 A CB 0.950 19.806 19.000 -0.241 0.000 1.236 99 A HN 0.633 nan 8.150 nan 0.000 0.457 100 D N 1.574 121.957 120.400 -0.028 0.000 2.325 100 D HA 0.131 4.771 4.640 -0.000 0.000 0.251 100 D C 1.158 177.476 176.300 0.029 0.000 1.196 100 D CA -0.076 53.927 54.000 0.005 0.000 0.866 100 D CB 0.623 41.440 40.800 0.030 0.000 1.101 100 D HN 0.557 nan 8.370 nan 0.000 0.476 101 R N 2.374 122.878 120.500 0.006 0.000 2.105 101 R HA -0.111 4.229 4.340 -0.000 0.000 0.239 101 R C 1.956 178.290 176.300 0.057 0.000 1.135 101 R CA 1.021 57.133 56.100 0.019 0.000 0.967 101 R CB -0.039 30.262 30.300 0.001 0.000 0.861 101 R HN 0.352 nan 8.270 nan 0.000 0.442 102 V N 1.324 121.264 119.914 0.042 0.000 2.379 102 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 102 V C 2.288 178.407 176.094 0.041 0.000 1.044 102 V CA 1.467 63.788 62.300 0.035 0.000 1.036 102 V CB -0.370 31.467 31.823 0.024 0.000 0.664 102 V HN 0.276 nan 8.190 nan 0.000 0.453 103 L N -1.341 119.913 121.223 0.052 0.000 2.131 103 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 103 L C 2.448 179.349 176.870 0.051 0.000 1.092 103 L CA 1.911 56.780 54.840 0.049 0.000 0.759 103 L CB -0.605 41.491 42.059 0.062 0.000 0.903 103 L HN 0.398 nan 8.230 nan 0.000 0.435 104 Y N 0.749 121.033 120.300 -0.026 0.000 2.184 104 Y HA -0.184 4.366 4.550 -0.000 0.000 0.290 104 Y C 2.859 178.736 175.900 -0.038 0.000 1.129 104 Y CA 1.383 59.462 58.100 -0.036 0.000 1.144 104 Y CB -0.043 38.380 38.460 -0.061 0.000 0.995 104 Y HN -0.058 nan 8.280 nan 0.000 0.513 105 R N -0.217 120.327 120.500 0.073 0.000 2.096 105 R HA -0.219 4.121 4.340 -0.000 0.000 0.240 105 R C 2.185 178.438 176.300 -0.077 0.000 1.139 105 R CA 1.772 57.865 56.100 -0.011 0.000 0.952 105 R CB -0.323 29.986 30.300 0.014 0.000 0.854 105 R HN 0.442 nan 8.270 nan 0.000 0.436 106 Q N 0.069 119.836 119.800 -0.056 0.000 2.050 106 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 106 Q C 2.176 178.119 176.000 -0.094 0.000 0.980 106 Q CA 1.752 57.520 55.803 -0.060 0.000 0.840 106 Q CB -0.503 28.216 28.738 -0.031 0.000 0.898 106 Q HN 0.353 nan 8.270 nan 0.000 0.424 107 A N 0.518 123.255 122.820 -0.137 0.000 1.940 107 A HA -0.128 4.191 4.320 -0.000 0.000 0.219 107 A C 2.460 179.918 177.584 -0.210 0.000 1.176 107 A CA 1.741 53.675 52.037 -0.171 0.000 0.631 107 A CB -0.576 18.289 19.000 -0.226 0.000 0.814 107 A HN 0.215 nan 8.150 nan 0.000 0.446 108 V N -0.443 119.301 119.914 -0.283 0.000 2.346 108 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 108 V C 2.591 178.605 176.094 -0.133 0.000 1.037 108 V CA 1.920 64.078 62.300 -0.236 0.000 1.029 108 V CB -0.741 30.915 31.823 -0.278 0.000 0.663 108 V HN 0.661 nan 8.190 nan 0.000 0.454 109 R N -0.107 120.326 120.500 -0.111 0.000 2.081 109 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 109 R C 2.397 178.659 176.300 -0.062 0.000 1.131 109 R CA 2.178 58.231 56.100 -0.077 0.000 0.960 109 R CB -0.529 29.731 30.300 -0.066 0.000 0.856 109 R HN 0.459 nan 8.270 nan 0.000 0.436 110 T N 0.405 114.921 114.554 -0.063 0.000 2.746 110 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 110 T C 1.697 176.371 174.700 -0.042 0.000 1.039 110 T CA 1.464 63.536 62.100 -0.047 0.000 1.142 110 T CB -0.258 68.582 68.868 -0.046 0.000 0.866 110 T HN 0.509 nan 8.240 nan 0.000 0.444 111 A N 0.913 123.699 122.820 -0.056 0.000 1.902 111 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 111 A C 2.274 179.837 177.584 -0.035 0.000 1.181 111 A CA 1.241 53.252 52.037 -0.044 0.000 0.623 111 A CB -0.800 18.167 19.000 -0.056 0.000 0.818 111 A HN 0.496 nan 8.150 nan 0.000 0.443 112 L N -0.672 120.524 121.223 -0.044 0.000 2.017 112 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 112 L C 2.522 179.378 176.870 -0.023 0.000 1.073 112 L CA 1.669 56.488 54.840 -0.035 0.000 0.745 112 L CB -0.604 41.427 42.059 -0.046 0.000 0.894 112 L HN 0.446 nan 8.230 nan 0.000 0.432 113 E N 0.096 120.281 120.200 -0.024 0.000 2.265 113 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 113 E C 0.781 177.380 176.600 -0.002 0.000 0.996 113 E CA 1.021 57.413 56.400 -0.012 0.000 0.832 113 E CB -0.114 29.577 29.700 -0.016 0.000 0.756 113 E HN 0.590 nan 8.360 nan 0.000 0.491 114 N N 0.346 119.042 118.700 -0.006 0.000 2.234 114 N HA -0.004 4.736 4.740 -0.000 0.000 0.227 114 N C -0.403 175.108 175.510 0.002 0.000 1.151 114 N CA -0.149 52.901 53.050 0.000 0.000 0.865 114 N CB 0.659 39.145 38.487 -0.003 0.000 1.066 114 N HN -0.084 nan 8.380 nan 0.000 0.515 115 Q N 1.966 121.767 119.800 0.002 0.000 2.322 115 Q HA 0.332 4.672 4.340 -0.000 0.000 0.256 115 Q C -2.668 173.340 176.000 0.013 0.000 0.960 115 Q CA -2.314 53.491 55.803 0.004 0.000 0.934 115 Q CB 0.779 29.515 28.738 -0.002 0.000 1.200 115 Q HN -0.016 nan 8.270 nan 0.000 0.435 116 P HA 0.097 nan 4.420 nan 0.000 0.265 116 P C -0.893 176.423 177.300 0.026 0.000 1.193 116 P CA 0.397 63.510 63.100 0.021 0.000 0.765 116 P CB 0.423 32.133 31.700 0.016 0.000 0.823 117 N N -1.627 117.097 118.700 0.040 0.000 2.979 117 N HA -0.191 4.549 4.740 -0.000 0.000 0.234 117 N C -0.574 174.982 175.510 0.075 0.000 0.938 117 N CA 0.106 53.190 53.050 0.057 0.000 0.961 117 N CB -1.550 36.963 38.487 0.042 0.000 1.089 117 N HN 0.244 nan 8.380 nan 0.000 0.576 118 L N 1.184 122.442 121.223 0.059 0.000 2.333 118 L HA 0.673 5.013 4.340 -0.000 0.000 0.280 118 L C -0.558 176.345 176.870 0.054 0.000 1.004 118 L CA -0.545 54.319 54.840 0.041 0.000 0.820 118 L CB 1.618 43.679 42.059 0.004 0.000 1.247 118 L HN 0.197 nan 8.230 nan 0.000 0.416 119 M N 5.711 125.341 119.600 0.050 0.000 2.294 119 M HA 0.612 5.091 4.480 -0.000 0.000 0.335 119 M C -1.557 174.720 176.300 -0.038 0.000 1.079 119 M CA -0.358 54.975 55.300 0.055 0.000 0.982 119 M CB 1.289 33.988 32.600 0.164 0.000 1.651 119 M HN 0.588 nan 8.290 nan 0.000 0.437 120 I N 4.311 124.885 120.570 0.007 0.000 2.437 120 I HA 0.488 4.658 4.170 -0.000 0.000 0.298 120 I C -1.286 174.880 176.117 0.083 0.000 0.984 120 I CA -0.485 60.808 61.300 -0.012 0.000 1.214 120 I CB 1.645 39.632 38.000 -0.022 0.000 1.365 120 I HN 0.638 nan 8.210 nan 0.000 0.469 121 F N 4.715 124.571 119.950 -0.157 0.000 2.585 121 F HA 0.304 4.831 4.527 -0.000 0.000 0.319 121 F C -0.277 175.473 175.800 -0.084 0.000 1.165 121 F CA -0.507 57.424 58.000 -0.115 0.000 0.949 121 F CB 1.599 40.487 39.000 -0.187 0.000 1.218 121 F HN 0.400 nan 8.300 nan 0.000 0.453 122 Q N 5.742 125.235 119.800 -0.511 0.000 2.369 122 Q HA 0.353 4.693 4.340 -0.000 0.000 0.247 122 Q C -1.163 174.609 176.000 -0.381 0.000 1.083 122 Q CA 0.020 55.611 55.803 -0.355 0.000 0.905 122 Q CB 0.423 28.985 28.738 -0.293 0.000 1.305 122 Q HN 0.590 nan 8.270 nan 0.000 0.465 123 Q N 1.281 121.016 119.800 -0.109 0.000 2.479 123 Q HA 0.447 4.787 4.340 -0.000 0.000 0.276 123 Q C -1.772 174.288 176.000 0.100 0.000 0.989 123 Q CA -0.464 55.356 55.803 0.029 0.000 0.864 123 Q CB 2.057 30.929 28.738 0.223 0.000 1.444 123 Q HN 0.733 nan 8.270 nan 0.000 0.388 124 A N 1.342 124.227 122.820 0.108 0.000 2.363 124 A HA 0.511 4.831 4.320 -0.000 0.000 0.270 124 A C -0.063 177.593 177.584 0.120 0.000 1.121 124 A CA -0.346 51.764 52.037 0.122 0.000 0.800 124 A CB 0.738 19.802 19.000 0.107 0.000 1.052 124 A HN 0.421 nan 8.150 nan 0.000 0.493 125 V N 1.571 121.557 119.914 0.121 0.000 2.715 125 V HA 0.138 4.258 4.120 -0.000 0.000 0.299 125 V C 1.098 177.243 176.094 0.086 0.000 1.054 125 V CA 0.841 63.195 62.300 0.091 0.000 1.077 125 V CB 1.286 33.133 31.823 0.041 0.000 0.972 125 V HN 1.177 nan 8.190 nan 0.000 0.484 126 E N 3.755 123.992 120.200 0.061 0.000 2.162 126 E HA 0.165 4.515 4.350 -0.000 0.000 0.193 126 E C 0.070 176.692 176.600 0.036 0.000 0.953 126 E CA 0.679 57.114 56.400 0.058 0.000 0.849 126 E CB 0.358 30.091 29.700 0.054 0.000 0.810 126 E HN 0.865 nan 8.360 nan 0.000 0.470 127 D N -1.856 118.551 120.400 0.013 0.000 2.710 127 D HA 0.240 4.880 4.640 -0.000 0.000 0.276 127 D C -1.334 174.955 176.300 -0.019 0.000 1.267 127 D CA -0.554 53.439 54.000 -0.011 0.000 0.772 127 D CB 0.655 41.466 40.800 0.019 0.000 1.299 127 D HN 0.047 nan 8.370 nan 0.000 0.421 128 L N 0.711 121.915 121.223 -0.031 0.000 2.439 128 L HA 0.537 4.877 4.340 -0.000 0.000 0.259 128 L C 0.174 177.063 176.870 0.031 0.000 1.129 128 L CA -0.824 54.014 54.840 -0.005 0.000 0.803 128 L CB 0.686 42.734 42.059 -0.017 0.000 1.161 128 L HN 0.332 nan 8.230 nan 0.000 0.462 129 I N 1.578 122.184 120.570 0.059 0.000 2.328 129 I HA 0.293 4.463 4.170 -0.000 0.000 0.287 129 I C -0.751 175.410 176.117 0.073 0.000 1.012 129 I CA -0.479 60.868 61.300 0.079 0.000 1.195 129 I CB 1.547 39.622 38.000 0.126 0.000 1.350 129 I HN 0.141 nan 8.210 nan 0.000 0.464 130 V N 5.940 125.888 119.914 0.056 0.000 2.448 130 V HA 0.404 4.524 4.120 -0.000 0.000 0.295 130 V C -0.287 175.835 176.094 0.046 0.000 1.025 130 V CA -0.591 61.737 62.300 0.047 0.000 0.859 130 V CB 1.687 33.529 31.823 0.032 0.000 0.988 130 V HN 0.678 nan 8.190 nan 0.000 0.431 131 E N 3.815 124.042 120.200 0.046 0.000 2.255 131 E HA 0.475 4.825 4.350 -0.000 0.000 0.256 131 E C -0.586 176.032 176.600 0.030 0.000 0.887 131 E CA -0.589 55.835 56.400 0.039 0.000 0.782 131 E CB 1.065 30.792 29.700 0.045 0.000 1.214 131 E HN 0.702 nan 8.360 nan 0.000 0.417 132 N N 3.189 121.903 118.700 0.024 0.000 2.861 132 N HA -0.142 4.598 4.740 -0.000 0.000 0.247 132 N C -1.098 174.421 175.510 0.015 0.000 1.117 132 N CA 1.044 54.105 53.050 0.017 0.000 0.703 132 N CB -1.081 37.416 38.487 0.016 0.000 1.052 132 N HN 0.788 nan 8.380 nan 0.000 0.555 133 D N -2.418 117.993 120.400 0.018 0.000 2.882 133 D HA -0.271 4.368 4.640 -0.000 0.000 0.229 133 D C 0.195 176.501 176.300 0.010 0.000 1.167 133 D CA 1.196 55.206 54.000 0.017 0.000 0.759 133 D CB -0.702 40.108 40.800 0.016 0.000 1.088 133 D HN 0.626 nan 8.370 nan 0.000 0.425 134 R N 0.482 120.992 120.500 0.018 0.000 2.534 134 R HA 0.444 4.784 4.340 -0.000 0.000 0.301 134 R C -0.191 176.132 176.300 0.039 0.000 0.961 134 R CA -0.768 55.346 56.100 0.022 0.000 0.871 134 R CB 1.616 31.931 30.300 0.026 0.000 1.170 134 R HN -0.057 nan 8.270 nan 0.000 0.446 135 V N 2.459 122.401 119.914 0.047 0.000 2.614 135 V HA 0.247 4.367 4.120 -0.000 0.000 0.291 135 V C 0.398 176.542 176.094 0.083 0.000 1.049 135 V CA -0.360 61.979 62.300 0.066 0.000 1.038 135 V CB 1.367 33.237 31.823 0.078 0.000 0.980 135 V HN 0.684 nan 8.190 nan 0.000 0.481 136 V N 2.905 122.877 119.914 0.096 0.000 3.426 136 V HA 0.669 4.789 4.120 -0.000 0.000 0.279 136 V C 0.855 177.042 176.094 0.154 0.000 1.544 136 V CA 1.123 63.491 62.300 0.113 0.000 1.017 136 V CB 0.379 32.262 31.823 0.100 0.000 0.821 136 V HN 1.423 nan 8.190 nan 0.000 0.432 137 G N -0.271 108.619 108.800 0.151 0.000 2.335 137 G HA2 0.666 4.626 3.960 -0.000 0.000 0.291 137 G HA3 0.666 4.626 3.960 -0.000 0.000 0.291 137 G C -1.585 173.397 174.900 0.136 0.000 1.261 137 G CA 0.243 45.452 45.100 0.183 0.000 0.871 137 G HN 0.812 nan 8.290 nan 0.000 0.491 138 A N -1.267 121.649 122.820 0.160 0.000 2.539 138 A HA 0.830 5.150 4.320 -0.000 0.000 0.296 138 A C -1.071 176.587 177.584 0.123 0.000 1.073 138 A CA -0.452 51.650 52.037 0.108 0.000 0.700 138 A CB 1.842 20.882 19.000 0.066 0.000 1.296 138 A HN 1.700 nan 8.150 nan 0.000 0.405 139 V N 1.467 121.420 119.914 0.066 0.000 2.513 139 V HA 0.674 4.794 4.120 -0.000 0.000 0.299 139 V C 0.774 176.901 176.094 0.054 0.000 1.035 139 V CA -0.098 62.216 62.300 0.023 0.000 0.889 139 V CB 1.376 33.205 31.823 0.011 0.000 0.988 139 V HN 1.152 nan 8.190 nan 0.000 0.440 140 T N 0.318 114.907 114.554 0.057 0.000 2.881 140 T HA 0.204 4.554 4.350 -0.000 0.000 0.278 140 T C 0.875 175.596 174.700 0.034 0.000 0.982 140 T CA -0.220 61.942 62.100 0.103 0.000 0.989 140 T CB 1.449 70.450 68.868 0.221 0.000 1.058 140 T HN 0.686 nan 8.240 nan 0.000 0.529 141 Q N 0.270 120.107 119.800 0.061 0.000 2.167 141 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 141 Q C 1.985 177.992 176.000 0.012 0.000 0.970 141 Q CA 1.553 57.381 55.803 0.041 0.000 0.855 141 Q CB -0.299 28.474 28.738 0.058 0.000 0.911 141 Q HN 0.921 nan 8.270 nan 0.000 0.438 142 M N -3.243 116.366 119.600 0.015 0.000 2.619 142 M HA 0.247 4.727 4.480 -0.000 0.000 0.251 142 M C 1.064 177.302 176.300 -0.104 0.000 1.106 142 M CA 1.438 56.733 55.300 -0.009 0.000 1.086 142 M CB 0.405 33.026 32.600 0.035 0.000 1.465 142 M HN 0.193 nan 8.290 nan 0.000 0.506 143 G N 1.593 110.265 108.800 -0.214 0.000 2.179 143 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.220 143 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.220 143 G C -0.374 174.216 174.900 -0.518 0.000 0.990 143 G CA -0.005 44.748 45.100 -0.578 0.000 0.646 143 G HN 0.478 nan 8.290 nan 0.000 0.517 144 L N 1.518 122.572 121.223 -0.283 0.000 2.380 144 L HA 0.663 5.003 4.340 -0.000 0.000 0.273 144 L C 0.263 176.879 176.870 -0.424 0.000 1.138 144 L CA -0.157 54.481 54.840 -0.336 0.000 0.832 144 L CB 0.546 42.444 42.059 -0.267 0.000 1.124 144 L HN 0.163 nan 8.230 nan 0.000 0.454 145 K N 5.507 125.571 120.400 -0.560 0.000 2.292 145 K HA 0.457 4.777 4.320 -0.000 0.000 0.257 145 K C -1.388 174.981 176.600 -0.385 0.000 0.940 145 K CA -0.403 55.590 56.287 -0.491 0.000 0.811 145 K CB 1.538 33.504 32.500 -0.890 0.000 1.120 145 K HN 0.314 nan 8.250 nan 0.000 0.428 146 F N 1.300 121.291 119.950 0.067 0.000 2.492 146 F HA 0.486 5.013 4.527 -0.000 0.000 0.327 146 F C 0.598 176.572 175.800 0.290 0.000 1.079 146 F CA -0.919 57.208 58.000 0.212 0.000 0.967 146 F CB 1.506 40.540 39.000 0.057 0.000 1.169 146 F HN 0.162 nan 8.300 nan 0.000 0.472 147 R N 1.504 122.328 120.500 0.539 0.000 2.589 147 R HA 0.910 5.250 4.340 -0.000 0.000 0.293 147 R C -1.124 175.376 176.300 0.334 0.000 0.963 147 R CA -1.044 55.279 56.100 0.372 0.000 0.905 147 R CB 2.007 32.455 30.300 0.246 0.000 1.144 147 R HN 0.789 nan 8.270 nan 0.000 0.459 148 A N 1.360 124.322 122.820 0.237 0.000 2.612 148 A HA 0.305 4.625 4.320 -0.000 0.000 0.293 148 A C -0.408 177.264 177.584 0.146 0.000 1.075 148 A CA -0.851 51.307 52.037 0.202 0.000 0.680 148 A CB 1.507 20.617 19.000 0.184 0.000 1.279 148 A HN 0.750 nan 8.150 nan 0.000 0.411 149 K N 0.177 120.654 120.400 0.127 0.000 2.426 149 K HA 0.433 4.753 4.320 -0.000 0.000 0.193 149 K C 0.409 177.088 176.600 0.132 0.000 1.028 149 K CA 1.170 57.524 56.287 0.110 0.000 1.047 149 K CB 0.471 33.026 32.500 0.091 0.000 0.821 149 K HN 0.987 nan 8.250 nan 0.000 0.513 150 A N 0.816 123.721 122.820 0.143 0.000 2.555 150 A HA 0.519 4.839 4.320 -0.000 0.000 0.297 150 A C -1.360 176.321 177.584 0.161 0.000 1.060 150 A CA -0.656 51.497 52.037 0.194 0.000 0.710 150 A CB 1.732 20.842 19.000 0.184 0.000 1.282 150 A HN -0.074 nan 8.150 nan 0.000 0.399 151 V N 1.924 121.967 119.914 0.215 0.000 2.638 151 V HA 0.531 4.651 4.120 -0.000 0.000 0.306 151 V C -0.515 175.718 176.094 0.232 0.000 1.052 151 V CA -0.630 61.760 62.300 0.150 0.000 0.885 151 V CB 1.923 33.806 31.823 0.101 0.000 0.999 151 V HN 0.774 nan 8.190 nan 0.000 0.424 152 V N 5.981 125.978 119.914 0.139 0.000 2.350 152 V HA 0.426 4.546 4.120 -0.000 0.000 0.276 152 V C -0.008 176.135 176.094 0.081 0.000 1.028 152 V CA -0.390 62.009 62.300 0.165 0.000 0.860 152 V CB 1.449 33.326 31.823 0.090 0.000 0.990 152 V HN 0.618 nan 8.190 nan 0.000 0.453 153 L N 3.897 125.156 121.223 0.060 0.000 2.325 153 L HA 0.495 4.835 4.340 -0.000 0.000 0.279 153 L C 0.921 177.778 176.870 -0.022 0.000 1.054 153 L CA 0.245 55.036 54.840 -0.083 0.000 0.804 153 L CB 2.034 43.874 42.059 -0.365 0.000 1.200 153 L HN 0.767 nan 8.230 nan 0.000 0.436 154 T N 1.323 115.928 114.554 0.084 0.000 3.449 154 T HA 0.218 4.568 4.350 -0.000 0.000 0.268 154 T C -0.829 173.925 174.700 0.089 0.000 0.996 154 T CA 0.058 62.211 62.100 0.088 0.000 1.125 154 T CB 0.928 69.836 68.868 0.066 0.000 1.172 154 T HN 0.287 nan 8.240 nan 0.000 0.430 155 V N -0.200 119.797 119.914 0.137 0.000 3.106 155 V HA 0.647 4.767 4.120 -0.000 0.000 0.280 155 V C -1.481 174.541 176.094 -0.121 0.000 1.525 155 V CA 0.495 62.727 62.300 -0.112 0.000 0.999 155 V CB 1.554 33.298 31.823 -0.132 0.000 1.186 155 V HN 0.857 nan 8.190 nan 0.000 0.448 156 G N 2.378 110.890 108.800 -0.479 0.000 2.337 156 G HA2 0.325 4.285 3.960 -0.000 0.000 0.298 156 G HA3 0.325 4.285 3.960 -0.000 0.000 0.298 156 G C 0.292 174.915 174.900 -0.462 0.000 1.335 156 G CA 0.427 45.323 45.100 -0.340 0.000 0.875 156 G HN 0.965 nan 8.290 nan 0.000 0.579 157 T N 0.768 115.219 114.554 -0.171 0.000 2.721 157 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 157 T C 2.179 176.842 174.700 -0.061 0.000 1.038 157 T CA 2.938 64.985 62.100 -0.090 0.000 1.145 157 T CB -0.582 68.287 68.868 0.001 0.000 0.858 157 T HN 0.732 nan 8.240 nan 0.000 0.459 158 F N 0.865 120.835 119.950 0.033 0.000 2.307 158 F HA 0.068 4.595 4.527 -0.000 0.000 0.301 158 F C 1.644 177.500 175.800 0.094 0.000 1.076 158 F CA 0.640 58.676 58.000 0.061 0.000 1.383 158 F CB -1.070 37.967 39.000 0.062 0.000 1.055 158 F HN 0.083 nan 8.300 nan 0.000 0.526 159 L N 0.546 121.461 121.223 -0.513 0.000 2.610 159 L HA -0.004 4.336 4.340 -0.000 0.000 0.232 159 L C 0.219 177.084 176.870 -0.008 0.000 1.149 159 L CA 0.885 55.584 54.840 -0.235 0.000 0.872 159 L CB -0.922 40.938 42.059 -0.333 0.000 0.992 159 L HN 0.224 nan 8.230 nan 0.000 0.447 160 D N -0.185 120.194 120.400 -0.035 0.000 2.873 160 D HA -0.120 4.519 4.640 -0.000 0.000 0.228 160 D C 0.688 176.908 176.300 -0.135 0.000 1.122 160 D CA 0.658 54.631 54.000 -0.045 0.000 0.758 160 D CB -0.576 40.215 40.800 -0.014 0.000 1.094 160 D HN 0.400 nan 8.370 nan 0.000 0.434 161 G N 0.683 109.342 108.800 -0.235 0.000 2.346 161 G HA2 0.467 4.427 3.960 -0.000 0.000 0.275 161 G HA3 0.467 4.427 3.960 -0.000 0.000 0.275 161 G C 0.136 174.800 174.900 -0.394 0.000 1.190 161 G CA 0.350 45.115 45.100 -0.557 0.000 1.015 161 G HN 0.444 nan 8.290 nan 0.000 0.441 162 K N 3.980 124.144 120.400 -0.394 0.000 2.449 162 K HA 0.594 4.914 4.320 -0.000 0.000 0.257 162 K C 0.126 176.304 176.600 -0.702 0.000 0.989 162 K CA -0.763 55.297 56.287 -0.379 0.000 0.916 162 K CB 0.585 32.977 32.500 -0.181 0.000 1.136 162 K HN 0.625 nan 8.250 nan 0.000 0.439 163 I N 3.399 123.627 120.570 -0.570 0.000 2.634 163 I HA 0.237 4.407 4.170 -0.000 0.000 0.284 163 I C 0.357 176.091 176.117 -0.639 0.000 1.124 163 I CA -0.295 60.689 61.300 -0.526 0.000 1.417 163 I CB 0.562 38.328 38.000 -0.389 0.000 1.396 163 I HN 0.642 nan 8.210 nan 0.000 0.571 164 H N 6.222 125.307 119.070 0.025 0.000 2.806 164 H HA 0.455 5.011 4.556 -0.000 0.000 0.367 164 H C -0.901 174.482 175.328 0.093 0.000 1.136 164 H CA -0.756 55.315 56.048 0.039 0.000 1.178 164 H CB 1.911 31.691 29.762 0.029 0.000 1.718 164 H HN 0.368 nan 8.280 nan 0.000 0.540 165 I N 1.518 122.203 120.570 0.192 0.000 2.859 165 I HA 0.464 4.634 4.170 -0.000 0.000 0.296 165 I C 0.851 177.038 176.117 0.118 0.000 1.300 165 I CA 0.089 61.484 61.300 0.158 0.000 1.020 165 I CB 0.969 39.049 38.000 0.134 0.000 1.823 165 I HN 0.937 nan 8.210 nan 0.000 0.599 181 I N 4.727 125.345 120.570 0.080 0.000 3.076 181 I HA 0.032 4.202 4.170 -0.000 0.000 0.321 181 I C -1.179 174.989 176.117 0.086 0.000 1.216 181 I CA -1.051 60.307 61.300 0.096 0.000 1.460 181 I CB -0.368 37.722 38.000 0.150 0.000 1.313 181 I HN 0.442 nan 8.210 nan 0.000 0.546 182 P HA -0.190 nan 4.420 nan 0.000 0.217 182 P C 1.807 179.134 177.300 0.045 0.000 1.148 182 P CA 0.847 63.978 63.100 0.050 0.000 0.828 182 P CB 0.227 31.953 31.700 0.043 0.000 0.783 183 L N -0.704 120.547 121.223 0.046 0.000 2.093 183 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 183 L C 2.113 179.029 176.870 0.078 0.000 1.085 183 L CA 1.900 56.744 54.840 0.007 0.000 0.755 183 L CB -1.441 40.563 42.059 -0.092 0.000 0.904 183 L HN -0.128 nan 8.230 nan 0.000 0.435 184 S N -0.716 115.084 115.700 0.167 0.000 2.359 184 S HA -0.286 4.184 4.470 -0.000 0.000 0.222 184 S C 2.197 176.887 174.600 0.150 0.000 1.038 184 S CA 1.742 60.071 58.200 0.215 0.000 1.051 184 S CB -0.567 62.744 63.200 0.185 0.000 0.944 184 S HN 0.540 nan 8.310 nan 0.000 0.433 185 R N 1.595 122.152 120.500 0.095 0.000 2.083 185 R HA -0.022 4.318 4.340 -0.000 0.000 0.237 185 R C 2.275 178.597 176.300 0.035 0.000 1.137 185 R CA 2.004 58.140 56.100 0.060 0.000 0.951 185 R CB -1.094 29.232 30.300 0.044 0.000 0.851 185 R HN 0.623 nan 8.270 nan 0.000 0.434 186 R N -0.488 120.026 120.500 0.023 0.000 2.096 186 R HA -0.110 4.230 4.340 -0.000 0.000 0.240 186 R C 2.283 178.562 176.300 -0.035 0.000 1.139 186 R CA 2.255 58.351 56.100 -0.007 0.000 0.952 186 R CB -0.516 29.775 30.300 -0.014 0.000 0.854 186 R HN 0.375 nan 8.270 nan 0.000 0.436 187 L N 0.902 122.103 121.223 -0.037 0.000 2.217 187 L HA -0.020 4.320 4.340 -0.000 0.000 0.211 187 L C 2.373 179.176 176.870 -0.111 0.000 1.107 187 L CA 1.521 56.274 54.840 -0.146 0.000 0.783 187 L CB -0.593 41.314 42.059 -0.252 0.000 0.919 187 L HN 0.179 nan 8.230 nan 0.000 0.442 188 R N -0.735 119.782 120.500 0.029 0.000 2.153 188 R HA -0.083 4.257 4.340 -0.000 0.000 0.218 188 R C 1.892 178.181 176.300 -0.018 0.000 1.072 188 R CA 0.770 56.905 56.100 0.059 0.000 0.990 188 R CB -0.010 30.347 30.300 0.095 0.000 0.889 188 R HN 0.430 nan 8.270 nan 0.000 0.452 189 E N 0.337 120.515 120.200 -0.037 0.000 2.285 189 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 189 E C 0.081 176.618 176.600 -0.104 0.000 0.997 189 E CA 0.135 56.503 56.400 -0.053 0.000 0.845 189 E CB 0.191 29.871 29.700 -0.033 0.000 0.782 189 E HN 0.180 nan 8.360 nan 0.000 0.491 190 L N 1.953 123.083 121.223 -0.156 0.000 2.464 190 L HA 0.090 4.429 4.340 -0.000 0.000 0.264 190 L C -1.634 175.013 176.870 -0.372 0.000 1.199 190 L CA -1.476 53.193 54.840 -0.286 0.000 0.818 190 L CB 0.012 41.864 42.059 -0.346 0.000 1.102 190 L HN -0.083 nan 8.230 nan 0.000 0.473 191 P HA 0.044 nan 4.420 nan 0.000 0.269 191 P C -0.269 176.706 177.300 -0.542 0.000 1.601 191 P CA 0.308 63.111 63.100 -0.495 0.000 0.831 191 P CB -0.244 31.183 31.700 -0.454 0.000 1.688 192 L N 0.449 121.400 121.223 -0.454 0.000 2.397 192 L HA 0.197 4.537 4.340 -0.000 0.000 0.271 192 L C 1.183 178.061 176.870 0.014 0.000 1.148 192 L CA -0.290 54.422 54.840 -0.212 0.000 0.825 192 L CB 0.466 42.374 42.059 -0.252 0.000 1.117 192 L HN -0.061 nan 8.230 nan 0.000 0.456 193 R N 1.948 122.509 120.500 0.102 0.000 2.265 193 R HA 0.474 4.814 4.340 -0.000 0.000 0.319 193 R C -0.916 175.428 176.300 0.073 0.000 1.006 193 R CA -0.583 55.562 56.100 0.075 0.000 0.880 193 R CB 1.595 31.920 30.300 0.040 0.000 1.077 193 R HN 0.327 nan 8.270 nan 0.000 0.454 194 V N 2.065 121.954 119.914 -0.041 0.000 2.532 194 V HA 0.675 4.795 4.120 -0.000 0.000 0.295 194 V C 0.659 176.496 176.094 -0.429 0.000 1.041 194 V CA -0.637 61.504 62.300 -0.266 0.000 0.926 194 V CB 1.769 33.498 31.823 -0.156 0.000 0.992 194 V HN 0.961 nan 8.190 nan 0.000 0.457 195 G N 3.192 111.503 108.800 -0.816 0.000 2.605 195 G HA2 0.672 4.632 3.960 -0.000 0.000 0.296 195 G HA3 0.672 4.632 3.960 -0.000 0.000 0.296 195 G C -1.226 173.440 174.900 -0.390 0.000 1.304 195 G CA -0.905 43.744 45.100 -0.752 0.000 0.941 195 G HN 0.489 nan 8.290 nan 0.000 0.475 196 R N 0.339 120.837 120.500 -0.003 0.000 2.445 196 R HA 0.456 4.796 4.340 -0.000 0.000 0.308 196 R C -1.154 175.330 176.300 0.307 0.000 0.961 196 R CA -0.712 55.477 56.100 0.149 0.000 0.862 196 R CB 2.224 32.565 30.300 0.068 0.000 1.144 196 R HN 0.340 nan 8.270 nan 0.000 0.447 197 L N 2.849 124.260 121.223 0.313 0.000 2.333 197 L HA 0.431 4.771 4.340 -0.000 0.000 0.280 197 L C -0.473 176.500 176.870 0.171 0.000 1.004 197 L CA -0.586 54.381 54.840 0.211 0.000 0.820 197 L CB 1.692 43.835 42.059 0.141 0.000 1.247 197 L HN 0.392 nan 8.230 nan 0.000 0.416 198 K N 2.819 123.292 120.400 0.122 0.000 2.265 198 K HA 0.463 4.783 4.320 -0.000 0.000 0.267 198 K C -0.872 175.788 176.600 0.099 0.000 0.994 198 K CA -0.398 55.959 56.287 0.116 0.000 0.860 198 K CB 1.280 33.839 32.500 0.097 0.000 1.099 198 K HN 0.552 nan 8.250 nan 0.000 0.448 199 T N 0.699 115.325 114.554 0.121 0.000 2.950 199 T HA 0.671 5.020 4.350 -0.000 0.000 0.288 199 T C -0.073 174.669 174.700 0.070 0.000 1.035 199 T CA -0.971 61.186 62.100 0.096 0.000 1.028 199 T CB 1.828 70.773 68.868 0.129 0.000 1.109 199 T HN 0.614 nan 8.240 nan 0.000 0.514 200 G N -0.137 108.677 108.800 0.023 0.000 2.682 200 G HA2 0.572 4.532 3.960 -0.000 0.000 0.300 200 G HA3 0.572 4.532 3.960 -0.000 0.000 0.300 200 G C -1.234 173.608 174.900 -0.097 0.000 1.391 200 G CA -0.490 44.584 45.100 -0.042 0.000 0.990 200 G HN 0.703 nan 8.290 nan 0.000 0.501 201 T N 3.152 117.547 114.554 -0.264 0.000 2.841 201 T HA 0.709 5.059 4.350 -0.000 0.000 0.283 201 T C -2.396 172.136 174.700 -0.280 0.000 1.000 201 T CA -1.312 60.627 62.100 -0.268 0.000 0.977 201 T CB 2.412 71.029 68.868 -0.418 0.000 0.979 201 T HN 0.404 nan 8.240 nan 0.000 0.446 202 P HA 0.322 nan 4.420 nan 0.000 0.274 202 P C -2.795 174.363 177.300 -0.238 0.000 1.256 202 P CA -1.737 61.187 63.100 -0.294 0.000 0.795 202 P CB -0.362 31.078 31.700 -0.434 0.000 1.038 203 P HA 0.155 nan 4.420 nan 0.000 0.269 203 P C -0.324 176.917 177.300 -0.098 0.000 1.209 203 P CA 0.214 63.282 63.100 -0.054 0.000 0.776 203 P CB 0.372 32.057 31.700 -0.024 0.000 0.876 204 R N 2.209 122.697 120.500 -0.019 0.000 2.346 204 R HA 0.480 4.820 4.340 -0.000 0.000 0.311 204 R C 0.057 176.370 176.300 0.022 0.000 0.983 204 R CA -0.569 55.530 56.100 -0.002 0.000 0.880 204 R CB 0.341 30.676 30.300 0.059 0.000 1.100 204 R HN 0.404 nan 8.270 nan 0.000 0.453 205 I N 1.420 121.999 120.570 0.015 0.000 2.460 205 I HA 0.194 4.364 4.170 -0.000 0.000 0.298 205 I C 0.046 176.184 176.117 0.035 0.000 0.989 205 I CA -1.060 60.247 61.300 0.011 0.000 1.173 205 I CB 1.528 39.514 38.000 -0.024 0.000 1.338 205 I HN 0.496 nan 8.210 nan 0.000 0.456 206 D N 4.183 124.599 120.400 0.027 0.000 2.338 206 D HA 0.264 4.904 4.640 -0.000 0.000 0.255 206 D C 0.997 177.325 176.300 0.046 0.000 1.237 206 D CA -0.050 53.974 54.000 0.039 0.000 0.883 206 D CB 1.445 42.262 40.800 0.028 0.000 1.087 206 D HN 0.641 nan 8.370 nan 0.000 0.485 207 A N 4.918 127.799 122.820 0.102 0.000 2.024 207 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 207 A C 2.014 179.702 177.584 0.174 0.000 1.164 207 A CA 1.166 53.328 52.037 0.209 0.000 0.643 207 A CB -0.193 18.959 19.000 0.253 0.000 0.806 207 A HN 0.644 nan 8.150 nan 0.000 0.451 208 R N -0.417 120.136 120.500 0.089 0.000 2.241 208 R HA -0.059 4.281 4.340 -0.000 0.000 0.224 208 R C 1.671 177.978 176.300 0.012 0.000 1.101 208 R CA 1.526 57.661 56.100 0.058 0.000 0.995 208 R CB -0.407 29.915 30.300 0.036 0.000 0.870 208 R HN 0.687 nan 8.270 nan 0.000 0.463 209 T N -2.735 111.806 114.554 -0.023 0.000 3.145 209 T HA 0.341 4.691 4.350 -0.000 0.000 0.255 209 T C 0.479 175.095 174.700 -0.141 0.000 1.039 209 T CA -0.235 61.827 62.100 -0.063 0.000 0.928 209 T CB 0.101 68.941 68.868 -0.047 0.000 1.029 209 T HN -0.063 nan 8.240 nan 0.000 0.554 210 I N 1.733 122.161 120.570 -0.236 0.000 2.433 210 I HA 0.355 4.525 4.170 -0.000 0.000 0.292 210 I C -0.706 175.103 176.117 -0.513 0.000 1.001 210 I CA -1.007 60.007 61.300 -0.478 0.000 1.119 210 I CB 1.861 39.319 38.000 -0.904 0.000 1.289 210 I HN -0.020 nan 8.210 nan 0.000 0.438 211 D N 5.651 125.816 120.400 -0.391 0.000 2.435 211 D HA 0.147 4.787 4.640 -0.000 0.000 0.230 211 D C 0.550 176.670 176.300 -0.301 0.000 1.215 211 D CA 0.097 53.944 54.000 -0.256 0.000 0.947 211 D CB 0.273 40.991 40.800 -0.137 0.000 1.048 211 D HN 0.254 nan 8.370 nan 0.000 0.512 212 F N 0.982 120.825 119.950 -0.177 0.000 2.558 212 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 212 F C 2.652 178.405 175.800 -0.079 0.000 1.119 212 F CA 0.484 58.314 58.000 -0.283 0.000 1.451 212 F CB -0.232 38.387 39.000 -0.634 0.000 1.091 212 F HN 0.347 nan 8.300 nan 0.000 0.563 213 S N -0.003 115.766 115.700 0.116 0.000 2.447 213 S HA -0.117 4.353 4.470 -0.000 0.000 0.233 213 S C 1.691 176.351 174.600 0.100 0.000 1.006 213 S CA 1.061 59.330 58.200 0.116 0.000 0.957 213 S CB -1.125 62.120 63.200 0.074 0.000 0.773 213 S HN 0.269 nan 8.310 nan 0.000 0.507 214 V N -1.219 118.733 119.914 0.065 0.000 3.577 214 V HA 0.509 4.629 4.120 -0.000 0.000 0.294 214 V C 0.090 176.231 176.094 0.078 0.000 1.317 214 V CA -0.390 61.941 62.300 0.052 0.000 1.169 214 V CB -1.027 30.803 31.823 0.011 0.000 1.011 214 V HN 0.408 nan 8.190 nan 0.000 0.426 215 L N 1.281 122.591 121.223 0.145 0.000 2.354 215 L HA 0.881 5.220 4.340 -0.000 0.000 0.269 215 L C 0.503 177.504 176.870 0.218 0.000 1.005 215 L CA -0.719 54.229 54.840 0.180 0.000 0.819 215 L CB 1.790 43.986 42.059 0.229 0.000 1.311 215 L HN 0.168 nan 8.230 nan 0.000 0.423 216 A N 2.259 125.156 122.820 0.127 0.000 2.407 216 A HA 0.411 4.731 4.320 -0.000 0.000 0.248 216 A C -0.373 177.199 177.584 -0.019 0.000 1.082 216 A CA -0.084 51.993 52.037 0.066 0.000 0.785 216 A CB 0.377 19.404 19.000 0.046 0.000 1.020 216 A HN 0.762 nan 8.150 nan 0.000 0.489 217 Q N 0.155 119.883 119.800 -0.120 0.000 2.274 217 Q HA 0.435 4.775 4.340 -0.000 0.000 0.260 217 Q C -0.651 175.223 176.000 -0.211 0.000 0.974 217 Q CA -0.403 55.168 55.803 -0.387 0.000 0.876 217 Q CB 1.926 30.397 28.738 -0.445 0.000 1.297 217 Q HN 0.772 nan 8.270 nan 0.000 0.446 218 Q N 2.718 122.352 119.800 -0.277 0.000 2.341 218 Q HA 0.239 4.579 4.340 -0.000 0.000 0.268 218 Q C -1.206 174.642 176.000 -0.254 0.000 1.013 218 Q CA -0.417 55.319 55.803 -0.112 0.000 0.798 218 Q CB 0.901 29.679 28.738 0.067 0.000 1.253 218 Q HN 0.671 nan 8.270 nan 0.000 0.457 219 H N 1.614 120.652 119.070 -0.054 0.000 2.525 219 H HA 0.380 4.936 4.556 -0.000 0.000 0.340 219 H C 0.273 175.587 175.328 -0.023 0.000 1.168 219 H CA -0.291 55.731 56.048 -0.044 0.000 1.247 219 H CB 1.617 31.357 29.762 -0.038 0.000 1.568 219 H HN 0.816 nan 8.280 nan 0.000 0.536 220 G N 0.510 109.378 108.800 0.114 0.000 2.616 220 G HA2 0.025 3.985 3.960 -0.000 0.000 0.268 220 G HA3 0.025 3.985 3.960 -0.000 0.000 0.268 220 G C -0.280 174.668 174.900 0.079 0.000 1.213 220 G CA -0.509 44.639 45.100 0.079 0.000 0.926 220 G HN 0.522 nan 8.290 nan 0.000 0.523 221 D N -0.933 119.501 120.400 0.058 0.000 2.368 221 D HA 0.158 4.798 4.640 -0.000 0.000 0.240 221 D C -0.006 176.314 176.300 0.033 0.000 1.169 221 D CA 0.497 54.517 54.000 0.034 0.000 0.906 221 D CB 0.803 41.611 40.800 0.013 0.000 1.187 221 D HN 0.407 nan 8.370 nan 0.000 0.435 222 N N 0.396 119.104 118.700 0.013 0.000 2.480 222 N HA 0.288 5.028 4.740 -0.000 0.000 0.289 222 N C -2.402 173.104 175.510 -0.006 0.000 1.073 222 N CA -1.122 51.931 53.050 0.004 0.000 0.885 222 N CB 1.210 39.696 38.487 -0.001 0.000 1.421 222 N HN 0.199 nan 8.380 nan 0.000 0.503 223 P HA 0.114 nan 4.420 nan 0.000 0.271 223 P C -0.691 176.595 177.300 -0.022 0.000 1.233 223 P CA -0.062 63.026 63.100 -0.021 0.000 0.789 223 P CB 0.771 32.452 31.700 -0.033 0.000 0.951 224 M N 1.738 121.321 119.600 -0.028 0.000 2.200 224 M HA 0.213 4.693 4.480 -0.000 0.000 0.355 224 M C -1.882 174.361 176.300 -0.094 0.000 1.283 224 M CA -1.545 53.738 55.300 -0.029 0.000 1.124 224 M CB 0.451 33.061 32.600 0.016 0.000 1.625 224 M HN 0.257 nan 8.290 nan 0.000 0.463 225 P HA 0.124 nan 4.420 nan 0.000 0.270 225 P C -1.133 176.023 177.300 -0.241 0.000 1.227 225 P CA -0.323 62.683 63.100 -0.157 0.000 0.788 225 P CB 0.490 32.116 31.700 -0.123 0.000 0.926 226 V N 1.780 121.572 119.914 -0.203 0.000 2.577 226 V HA 0.205 4.324 4.120 -0.000 0.000 0.303 226 V C 0.572 176.597 176.094 -0.114 0.000 1.042 226 V CA -0.187 62.035 62.300 -0.131 0.000 0.872 226 V CB 1.356 33.093 31.823 -0.143 0.000 0.998 226 V HN 0.445 nan 8.190 nan 0.000 0.423 227 F N 1.743 121.705 119.950 0.020 0.000 2.128 227 F HA 0.028 4.555 4.527 -0.000 0.000 0.295 227 F C 1.901 177.602 175.800 -0.165 0.000 1.100 227 F CA 1.521 59.502 58.000 -0.031 0.000 1.260 227 F CB 0.232 39.281 39.000 0.082 0.000 1.009 227 F HN 0.514 nan 8.300 nan 0.000 0.476 228 S N -0.635 115.135 115.700 0.117 0.000 2.565 228 S HA 0.081 4.551 4.470 -0.000 0.000 0.276 228 S C 0.894 175.448 174.600 -0.076 0.000 1.326 228 S CA -0.564 57.654 58.200 0.030 0.000 1.045 228 S CB 0.248 63.509 63.200 0.101 0.000 0.918 228 S HN 0.132 nan 8.310 nan 0.000 0.505 229 F N 2.457 122.464 119.950 0.094 0.000 2.365 229 F HA 0.067 4.594 4.527 -0.000 0.000 0.300 229 F C 1.905 177.739 175.800 0.056 0.000 1.090 229 F CA 0.670 58.713 58.000 0.072 0.000 1.408 229 F CB -0.034 39.018 39.000 0.085 0.000 1.060 229 F HN 0.469 nan 8.300 nan 0.000 0.534 230 M N -0.378 119.340 119.600 0.198 0.000 2.419 230 M HA 0.286 4.766 4.480 -0.000 0.000 0.252 230 M C 0.912 177.252 176.300 0.065 0.000 1.143 230 M CA 0.142 55.519 55.300 0.128 0.000 0.985 230 M CB -0.803 31.871 32.600 0.123 0.000 1.489 230 M HN -0.006 nan 8.290 nan 0.000 0.484 231 G N 1.373 110.196 108.800 0.038 0.000 2.552 231 G HA2 0.577 4.537 3.960 -0.000 0.000 0.324 231 G HA3 0.577 4.537 3.960 -0.000 0.000 0.324 231 G C -0.734 174.127 174.900 -0.064 0.000 1.217 231 G CA -0.548 44.547 45.100 -0.009 0.000 0.989 231 G HN 0.490 nan 8.290 nan 0.000 0.490 232 N N -2.358 116.265 118.700 -0.128 0.000 2.357 232 N HA 0.521 5.261 4.740 -0.000 0.000 0.284 232 N C 0.663 175.945 175.510 -0.381 0.000 1.236 232 N CA -0.188 52.747 53.050 -0.191 0.000 0.774 232 N CB 1.839 40.248 38.487 -0.130 0.000 1.534 232 N HN 0.495 nan 8.380 nan 0.000 0.478 233 A N 0.157 122.724 122.820 -0.423 0.000 2.070 233 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 233 A C 1.872 179.161 177.584 -0.492 0.000 1.159 233 A CA 1.717 53.365 52.037 -0.649 0.000 0.656 233 A CB -1.139 17.663 19.000 -0.329 0.000 0.800 233 A HN 0.826 nan 8.150 nan 0.000 0.453 234 S N -0.921 114.612 115.700 -0.278 0.000 2.561 234 S HA -0.080 4.390 4.470 -0.000 0.000 0.225 234 S C 1.603 176.126 174.600 -0.128 0.000 0.977 234 S CA 0.840 58.948 58.200 -0.154 0.000 0.926 234 S CB -0.332 62.810 63.200 -0.097 0.000 0.769 234 S HN 0.680 nan 8.310 nan 0.000 0.533 235 Q N 0.152 119.834 119.800 -0.197 0.000 2.297 235 Q HA 0.032 4.372 4.340 -0.000 0.000 0.204 235 Q C -0.055 175.963 176.000 0.030 0.000 0.962 235 Q CA 0.572 56.323 55.803 -0.087 0.000 0.879 235 Q CB -0.050 28.639 28.738 -0.081 0.000 0.947 235 Q HN 0.675 nan 8.270 nan 0.000 0.462 236 H N 1.081 120.144 119.070 -0.012 0.000 2.707 236 H HA 0.123 4.679 4.556 -0.000 0.000 0.359 236 H C -1.747 173.623 175.328 0.070 0.000 1.113 236 H CA -1.994 54.085 56.048 0.052 0.000 1.422 236 H CB -0.173 29.592 29.762 0.005 0.000 1.443 236 H HN 0.136 nan 8.280 nan 0.000 0.591 237 P HA 0.054 nan 4.420 nan 0.000 0.297 237 P C -0.201 177.180 177.300 0.134 0.000 1.303 237 P CA -0.736 62.449 63.100 0.142 0.000 0.753 237 P CB 0.684 32.453 31.700 0.115 0.000 1.281 238 Q N 0.019 119.874 119.800 0.092 0.000 2.304 238 Q HA -0.055 4.285 4.340 -0.000 0.000 0.301 238 Q C -0.377 175.676 176.000 0.088 0.000 1.063 238 Q CA 0.386 56.236 55.803 0.079 0.000 0.947 238 Q CB 0.194 28.965 28.738 0.055 0.000 1.201 238 Q HN 0.220 nan 8.270 nan 0.000 0.389 239 Q N 2.642 122.498 119.800 0.093 0.000 2.241 239 Q HA 0.460 4.800 4.340 -0.000 0.000 0.254 239 Q C -0.455 175.583 176.000 0.064 0.000 0.917 239 Q CA -0.424 55.434 55.803 0.092 0.000 0.919 239 Q CB 1.773 30.585 28.738 0.123 0.000 1.237 239 Q HN 0.563 nan 8.270 nan 0.000 0.434 240 V N -1.055 118.877 119.914 0.029 0.000 3.040 240 V HA 0.742 4.862 4.120 -0.000 0.000 0.312 240 V C -2.618 173.422 176.094 -0.090 0.000 1.115 240 V CA -2.469 59.826 62.300 -0.007 0.000 0.998 240 V CB 1.913 33.729 31.823 -0.011 0.000 1.042 240 V HN 0.579 nan 8.190 nan 0.000 0.433 241 P HA 0.390 nan 4.420 nan 0.000 0.276 241 P C -0.620 176.524 177.300 -0.260 0.000 1.252 241 P CA -0.218 62.603 63.100 -0.466 0.000 0.802 241 P CB 1.047 32.200 31.700 -0.911 0.000 1.035 242 C N 0.524 119.694 119.300 -0.217 0.000 2.399 242 C HA 0.557 5.016 4.460 -0.000 0.000 0.348 242 C C 0.029 174.963 174.990 -0.093 0.000 1.183 242 C CA -0.244 58.773 59.018 -0.000 0.000 2.023 242 C CB 0.043 27.861 27.740 0.130 0.000 2.361 242 C HN 0.502 nan 8.230 nan 0.000 0.521 243 Y N 0.313 120.656 120.300 0.072 0.000 2.509 243 Y HA 0.695 5.245 4.550 -0.000 0.000 0.341 243 Y C 0.181 176.044 175.900 -0.062 0.000 1.038 243 Y CA -0.709 57.423 58.100 0.053 0.000 1.089 243 Y CB 0.960 39.544 38.460 0.206 0.000 1.241 243 Y HN 0.396 nan 8.280 nan 0.000 0.468 244 I N 1.587 122.131 120.570 -0.043 0.000 2.378 244 I HA 0.403 4.573 4.170 -0.000 0.000 0.291 244 I C 0.044 175.978 176.117 -0.305 0.000 0.992 244 I CA -0.299 60.766 61.300 -0.392 0.000 1.154 244 I CB 1.931 39.597 38.000 -0.556 0.000 1.315 244 I HN 0.594 nan 8.210 nan 0.000 0.448 245 T N 3.679 117.991 114.554 -0.403 0.000 2.762 245 T HA 0.609 4.959 4.350 -0.000 0.000 0.272 245 T C -1.234 173.109 174.700 -0.596 0.000 0.982 245 T CA -0.511 61.389 62.100 -0.335 0.000 1.013 245 T CB 1.052 69.824 68.868 -0.160 0.000 1.309 245 T HN 0.614 nan 8.240 nan 0.000 0.572 246 H N -0.532 118.477 119.070 -0.101 0.000 2.894 246 H HA 0.448 5.004 4.556 -0.000 0.000 0.367 246 H C -0.426 174.847 175.328 -0.093 0.000 1.144 246 H CA -0.555 55.441 56.048 -0.087 0.000 1.180 246 H CB 1.861 31.575 29.762 -0.081 0.000 1.758 246 H HN 0.534 nan 8.280 nan 0.000 0.541 247 T N 2.027 116.606 114.554 0.040 0.000 2.900 247 T HA 0.180 4.530 4.350 -0.000 0.000 0.307 247 T C 0.116 174.721 174.700 -0.158 0.000 1.065 247 T CA -0.103 61.949 62.100 -0.079 0.000 1.105 247 T CB 0.032 68.891 68.868 -0.016 0.000 0.979 247 T HN 0.822 nan 8.240 nan 0.000 0.544 248 N N 0.713 119.226 118.700 -0.312 0.000 3.479 248 N HA 0.498 5.238 4.740 -0.000 0.000 0.336 248 N C 1.077 176.380 175.510 -0.346 0.000 1.623 248 N CA -0.046 52.849 53.050 -0.259 0.000 0.759 248 N CB -0.230 38.179 38.487 -0.130 0.000 2.016 248 N HN 0.386 nan 8.380 nan 0.000 0.637 249 E N -0.607 119.518 120.200 -0.124 0.000 2.028 249 E HA -0.099 4.250 4.350 -0.000 0.000 0.191 249 E C 2.074 178.635 176.600 -0.065 0.000 0.988 249 E CA 2.751 59.131 56.400 -0.032 0.000 0.799 249 E CB -1.712 27.985 29.700 -0.006 0.000 0.755 249 E HN 0.828 nan 8.360 nan 0.000 0.447 250 K N 0.513 120.862 120.400 -0.085 0.000 2.160 250 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 250 K C 2.509 179.046 176.600 -0.105 0.000 1.047 250 K CA 2.244 58.484 56.287 -0.078 0.000 0.930 250 K CB -1.550 30.906 32.500 -0.074 0.000 0.720 250 K HN 0.525 nan 8.250 nan 0.000 0.450 251 T N 0.023 114.461 114.554 -0.194 0.000 2.770 251 T HA -0.085 4.265 4.350 -0.000 0.000 0.263 251 T C 1.843 176.444 174.700 -0.164 0.000 1.039 251 T CA 1.070 63.036 62.100 -0.222 0.000 1.142 251 T CB -0.321 68.350 68.868 -0.327 0.000 0.868 251 T HN 0.677 nan 8.240 nan 0.000 0.435 252 H N 1.489 120.547 119.070 -0.020 0.000 2.387 252 H HA -0.015 4.541 4.556 -0.000 0.000 0.299 252 H C 2.126 177.447 175.328 -0.012 0.000 1.090 252 H CA 0.967 57.009 56.048 -0.011 0.000 1.332 252 H CB -0.616 29.135 29.762 -0.019 0.000 1.386 252 H HN 0.281 nan 8.280 nan 0.000 0.516 253 D N 0.593 121.036 120.400 0.072 0.000 2.154 253 D HA -0.138 4.502 4.640 -0.000 0.000 0.190 253 D C 2.372 178.682 176.300 0.016 0.000 1.003 253 D CA 1.083 55.101 54.000 0.030 0.000 0.849 253 D CB -0.164 40.636 40.800 0.001 0.000 0.942 253 D HN 0.134 nan 8.370 nan 0.000 0.446 254 V N 1.763 121.677 119.914 -0.001 0.000 2.307 254 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 254 V C 2.471 178.567 176.094 0.002 0.000 1.045 254 V CA 1.392 63.685 62.300 -0.012 0.000 1.024 254 V CB -0.507 31.294 31.823 -0.037 0.000 0.651 254 V HN 0.293 nan 8.190 nan 0.000 0.449 255 I N -0.234 120.349 120.570 0.022 0.000 2.493 255 I HA -0.109 4.061 4.170 -0.000 0.000 0.254 255 I C 2.863 179.000 176.117 0.033 0.000 1.160 255 I CA 1.437 62.756 61.300 0.032 0.000 1.445 255 I CB -1.210 36.826 38.000 0.060 0.000 1.086 255 I HN 0.278 nan 8.210 nan 0.000 0.433 256 R N 1.931 122.454 120.500 0.038 0.000 2.075 256 R HA -0.120 4.220 4.340 -0.000 0.000 0.230 256 R C 2.334 178.644 176.300 0.016 0.000 1.140 256 R CA 2.300 58.417 56.100 0.028 0.000 0.928 256 R CB -1.811 28.507 30.300 0.030 0.000 0.834 256 R HN 0.489 nan 8.270 nan 0.000 0.429 257 S N 1.324 117.031 115.700 0.012 0.000 2.359 257 S HA -0.114 4.356 4.470 -0.000 0.000 0.223 257 S C 0.891 175.495 174.600 0.005 0.000 1.039 257 S CA 1.293 59.496 58.200 0.006 0.000 1.042 257 S CB -0.217 62.984 63.200 0.002 0.000 0.915 257 S HN 0.740 nan 8.310 nan 0.000 0.439 258 N N 1.476 120.179 118.700 0.005 0.000 3.324 258 N HA 0.303 5.043 4.740 -0.000 0.000 0.302 258 N C -0.720 174.795 175.510 0.007 0.000 1.360 258 N CA 0.034 53.086 53.050 0.005 0.000 1.190 258 N CB 0.570 39.058 38.487 0.002 0.000 1.462 258 N HN 0.305 nan 8.380 nan 0.000 0.532 280 I N 1.891 122.457 120.570 -0.008 0.000 2.493 280 I HA -0.069 4.101 4.170 -0.000 0.000 0.254 280 I C 2.432 178.572 176.117 0.037 0.000 1.160 280 I CA 2.091 63.398 61.300 0.013 0.000 1.445 280 I CB -0.390 37.626 38.000 0.027 0.000 1.086 280 I HN 0.864 nan 8.210 nan 0.000 0.433 281 E N 0.259 120.474 120.200 0.025 0.000 2.216 281 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 281 E C 1.200 177.814 176.600 0.023 0.000 0.988 281 E CA 1.404 57.822 56.400 0.031 0.000 0.834 281 E CB -0.910 28.802 29.700 0.021 0.000 0.772 281 E HN 0.613 nan 8.360 nan 0.000 0.479 282 D N 0.339 120.745 120.400 0.011 0.000 2.427 282 D HA 0.341 4.980 4.640 -0.000 0.000 0.224 282 D C 1.450 177.746 176.300 -0.007 0.000 1.157 282 D CA 0.654 54.656 54.000 0.004 0.000 0.828 282 D CB -0.259 40.543 40.800 0.002 0.000 0.974 282 D HN 0.372 nan 8.370 nan 0.000 0.498 283 K N -1.252 119.142 120.400 -0.009 0.000 2.529 283 K HA 0.691 5.011 4.320 -0.000 0.000 0.215 283 K C 1.952 178.551 176.600 -0.001 0.000 1.286 283 K CA 0.983 57.242 56.287 -0.047 0.000 0.997 283 K CB -0.416 32.011 32.500 -0.122 0.000 1.063 283 K HN 0.802 nan 8.250 nan 0.000 0.590 284 V N -0.660 119.294 119.914 0.067 0.000 2.685 284 V HA 0.481 4.601 4.120 -0.000 0.000 0.244 284 V C 2.556 178.652 176.094 0.003 0.000 1.054 284 V CA 1.978 64.335 62.300 0.094 0.000 1.076 284 V CB -0.222 31.693 31.823 0.152 0.000 0.725 284 V HN 0.588 nan 8.190 nan 0.000 0.467 285 M N 0.199 119.807 119.600 0.012 0.000 2.631 285 M HA 0.695 5.175 4.480 -0.000 0.000 0.241 285 M C 1.455 177.754 176.300 -0.001 0.000 1.255 285 M CA 1.033 56.333 55.300 -0.001 0.000 0.983 285 M CB -1.131 31.473 32.600 0.007 0.000 1.580 285 M HN 0.867 nan 8.290 nan 0.000 0.464 286 R N -1.357 119.143 120.500 0.000 0.000 2.526 286 R HA 0.674 5.013 4.340 -0.000 0.000 0.346 286 R C -0.116 176.187 176.300 0.004 0.000 0.926 286 R CA 0.817 56.917 56.100 0.000 0.000 1.147 286 R CB -0.958 29.341 30.300 -0.001 0.000 1.629 286 R HN 1.769 nan 8.270 nan 0.000 0.516 287 F N -0.807 119.148 119.950 0.009 0.000 2.650 287 F HA 0.805 5.332 4.527 -0.000 0.000 0.310 287 F C 0.469 176.271 175.800 0.003 0.000 1.112 287 F CA -1.938 56.075 58.000 0.021 0.000 0.986 287 F CB 0.549 39.579 39.000 0.051 0.000 1.285 287 F HN 0.751 nan 8.300 nan 0.000 0.440 288 A N 1.173 123.987 122.820 -0.011 0.000 2.624 288 A HA 0.357 4.676 4.320 -0.000 0.000 0.231 288 A C 1.145 178.663 177.584 -0.109 0.000 1.034 288 A CA 0.907 52.917 52.037 -0.045 0.000 0.754 288 A CB -0.932 18.052 19.000 -0.027 0.000 0.953 288 A HN 2.392 nan 8.150 nan 0.000 0.509 289 D N 1.285 121.595 120.400 -0.150 0.000 2.378 289 D HA 0.219 4.859 4.640 -0.000 0.000 0.227 289 D C 1.591 177.814 176.300 -0.128 0.000 1.012 289 D CA 1.407 55.259 54.000 -0.247 0.000 0.905 289 D CB -0.513 40.178 40.800 -0.183 0.000 0.895 289 D HN 1.097 nan 8.370 nan 0.000 0.532 290 R N 0.466 120.918 120.500 -0.079 0.000 2.404 290 R HA 0.230 4.570 4.340 -0.000 0.000 0.236 290 R C 0.317 176.589 176.300 -0.047 0.000 1.044 290 R CA -0.091 55.982 56.100 -0.046 0.000 1.133 290 R CB -0.969 29.314 30.300 -0.029 0.000 1.142 290 R HN 0.416 nan 8.270 nan 0.000 0.512 291 N N 0.641 119.291 118.700 -0.082 0.000 2.399 291 N HA 0.168 4.908 4.740 -0.000 0.000 0.284 291 N C -1.291 174.115 175.510 -0.174 0.000 1.025 291 N CA -0.500 52.499 53.050 -0.085 0.000 0.885 291 N CB 1.868 40.340 38.487 -0.025 0.000 1.339 291 N HN 0.358 nan 8.380 nan 0.000 0.487 292 Q N 1.401 121.146 119.800 -0.093 0.000 2.314 292 Q HA 0.160 4.500 4.340 -0.000 0.000 0.257 292 Q C -0.604 175.406 176.000 0.017 0.000 0.975 292 Q CA -0.304 55.453 55.803 -0.076 0.000 0.933 292 Q CB 0.611 29.312 28.738 -0.062 0.000 1.195 292 Q HN 0.501 nan 8.270 nan 0.000 0.426 293 H N 1.923 121.088 119.070 0.160 0.000 2.819 293 H HA 0.073 4.629 4.556 -0.000 0.000 0.303 293 H C -0.150 175.251 175.328 0.121 0.000 1.058 293 H CA -0.347 55.781 56.048 0.133 0.000 1.471 293 H CB 0.625 30.457 29.762 0.117 0.000 1.480 293 H HN 0.364 nan 8.280 nan 0.000 0.517 294 Q N 2.645 122.574 119.800 0.216 0.000 2.300 294 Q HA 0.069 4.409 4.340 -0.000 0.000 0.280 294 Q C -0.353 175.581 176.000 -0.110 0.000 1.033 294 Q CA -0.025 55.731 55.803 -0.078 0.000 0.903 294 Q CB 0.718 29.399 28.738 -0.096 0.000 1.195 294 Q HN 0.480 nan 8.270 nan 0.000 0.386 295 I N 4.071 124.461 120.570 -0.300 0.000 2.355 295 I HA 0.241 4.411 4.170 -0.000 0.000 0.288 295 I C -0.508 175.455 176.117 -0.256 0.000 0.999 295 I CA -0.491 60.721 61.300 -0.146 0.000 1.163 295 I CB 0.372 38.308 38.000 -0.107 0.000 1.316 295 I HN 0.487 nan 8.210 nan 0.000 0.454 296 F N 6.057 125.994 119.950 -0.021 0.000 2.424 296 F HA 0.325 4.852 4.527 -0.000 0.000 0.356 296 F C 0.603 176.437 175.800 0.057 0.000 1.110 296 F CA -0.415 57.589 58.000 0.006 0.000 1.161 296 F CB 0.783 39.782 39.000 -0.001 0.000 1.115 296 F HN 0.184 nan 8.300 nan 0.000 0.507 297 L N 4.904 126.253 121.223 0.210 0.000 2.312 297 L HA 0.261 4.601 4.340 -0.000 0.000 0.287 297 L C -0.082 176.943 176.870 0.259 0.000 1.091 297 L CA -0.137 54.837 54.840 0.223 0.000 0.846 297 L CB -0.012 42.195 42.059 0.247 0.000 1.219 297 L HN 0.594 nan 8.230 nan 0.000 0.439 298 E N 5.038 125.382 120.200 0.239 0.000 2.197 298 E HA 0.304 4.654 4.350 -0.000 0.000 0.281 298 E C -2.341 174.349 176.600 0.150 0.000 0.995 298 E CA -2.016 54.487 56.400 0.173 0.000 0.808 298 E CB 1.272 31.050 29.700 0.130 0.000 1.093 298 E HN 0.278 nan 8.360 nan 0.000 0.394 299 P HA 0.014 nan 4.420 nan 0.000 0.276 299 P C 0.137 177.465 177.300 0.047 0.000 1.235 299 P CA -0.074 63.068 63.100 0.069 0.000 0.772 299 P CB 0.708 32.426 31.700 0.030 0.000 0.871 300 E N 1.681 121.920 120.200 0.064 0.000 2.338 300 E HA 0.055 4.405 4.350 -0.000 0.000 0.197 300 E C 1.106 177.716 176.600 0.017 0.000 1.007 300 E CA 0.777 57.202 56.400 0.043 0.000 0.849 300 E CB -0.061 29.681 29.700 0.069 0.000 0.774 300 E HN 0.697 nan 8.360 nan 0.000 0.506 301 G N -0.601 108.210 108.800 0.018 0.000 2.321 301 G HA2 0.128 4.088 3.960 -0.000 0.000 0.298 301 G HA3 0.128 4.088 3.960 -0.000 0.000 0.298 301 G C 0.030 174.938 174.900 0.014 0.000 1.385 301 G CA -0.779 44.328 45.100 0.013 0.000 0.856 301 G HN 0.016 nan 8.290 nan 0.000 0.584 302 L N -0.013 121.219 121.223 0.016 0.000 2.291 302 L HA 0.117 4.457 4.340 -0.000 0.000 0.214 302 L C 2.369 179.248 176.870 0.015 0.000 1.120 302 L CA 1.771 56.620 54.840 0.015 0.000 0.799 302 L CB -0.186 41.886 42.059 0.021 0.000 0.925 302 L HN 0.712 nan 8.230 nan 0.000 0.446 303 T N -4.690 109.875 114.554 0.018 0.000 3.269 303 T HA 0.237 4.587 4.350 -0.000 0.000 0.269 303 T C 0.177 174.889 174.700 0.020 0.000 0.993 303 T CA -0.379 61.732 62.100 0.017 0.000 0.909 303 T CB 0.323 69.201 68.868 0.017 0.000 1.115 303 T HN 0.043 nan 8.240 nan 0.000 0.543 304 S N 0.341 116.054 115.700 0.022 0.000 2.538 304 S HA 0.487 4.957 4.470 -0.000 0.000 0.288 304 S C 0.097 174.717 174.600 0.033 0.000 1.108 304 S CA -0.725 57.493 58.200 0.029 0.000 0.971 304 S CB 1.185 64.406 63.200 0.035 0.000 1.041 304 S HN 0.197 nan 8.310 nan 0.000 0.483 305 N N 2.472 121.195 118.700 0.038 0.000 2.398 305 N HA 0.142 4.882 4.740 -0.000 0.000 0.188 305 N C -0.252 175.298 175.510 0.067 0.000 1.122 305 N CA 0.239 53.318 53.050 0.049 0.000 0.866 305 N CB 0.236 38.751 38.487 0.046 0.000 0.970 305 N HN 0.684 nan 8.380 nan 0.000 0.462 306 E N 0.283 120.523 120.200 0.067 0.000 2.343 306 E HA 0.248 4.598 4.350 -0.000 0.000 0.269 306 E C -0.205 176.458 176.600 0.105 0.000 1.047 306 E CA -0.205 56.245 56.400 0.082 0.000 0.874 306 E CB 1.516 31.264 29.700 0.080 0.000 1.033 306 E HN -0.038 nan 8.360 nan 0.000 0.409 307 I N 2.692 123.331 120.570 0.115 0.000 2.465 307 I HA 0.139 4.309 4.170 -0.000 0.000 0.291 307 I C -0.963 175.240 176.117 0.143 0.000 1.014 307 I CA -0.684 60.703 61.300 0.145 0.000 1.093 307 I CB 1.202 39.297 38.000 0.158 0.000 1.267 307 I HN 0.587 nan 8.210 nan 0.000 0.431 308 Y N 8.794 129.125 120.300 0.052 0.000 2.454 308 Y HA 0.383 4.933 4.550 -0.000 0.000 0.345 308 Y C -1.956 173.969 175.900 0.042 0.000 0.970 308 Y CA -2.025 56.096 58.100 0.035 0.000 1.204 308 Y CB 1.127 39.602 38.460 0.024 0.000 1.122 308 Y HN 0.290 nan 8.280 nan 0.000 0.514 309 P HA 0.044 nan 4.420 nan 0.000 0.266 309 P C -0.949 176.315 177.300 -0.060 0.000 1.586 309 P CA 0.046 63.112 63.100 -0.058 0.000 1.088 309 P CB 0.086 31.718 31.700 -0.113 0.000 1.584 310 N N 2.553 121.359 118.700 0.176 0.000 2.431 310 N HA 0.261 5.001 4.740 -0.000 0.000 0.265 310 N C 1.161 176.755 175.510 0.141 0.000 1.184 310 N CA 0.539 53.737 53.050 0.246 0.000 0.943 310 N CB -0.080 38.581 38.487 0.289 0.000 1.080 310 N HN 0.561 nan 8.380 nan 0.000 0.477 311 G N 3.204 112.049 108.800 0.075 0.000 2.421 311 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.188 311 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.188 311 G C 0.465 175.369 174.900 0.006 0.000 1.001 311 G CA 0.092 45.221 45.100 0.048 0.000 0.693 311 G HN 0.669 nan 8.290 nan 0.000 0.479 312 I N 0.078 120.627 120.570 -0.035 0.000 3.654 312 I HA 0.632 4.802 4.170 -0.000 0.000 0.337 312 I C 0.550 176.617 176.117 -0.083 0.000 1.568 312 I CA 0.162 61.430 61.300 -0.052 0.000 1.115 312 I CB 0.511 38.473 38.000 -0.063 0.000 1.300 312 I HN 0.120 nan 8.210 nan 0.000 0.471 313 S N 2.259 117.910 115.700 -0.080 0.000 2.569 313 S HA 0.381 4.851 4.470 -0.000 0.000 0.274 313 S C 0.318 174.885 174.600 -0.055 0.000 1.353 313 S CA 0.948 59.096 58.200 -0.087 0.000 1.023 313 S CB 0.251 63.418 63.200 -0.055 0.000 0.876 313 S HN 0.691 nan 8.310 nan 0.000 0.540 314 T N 0.943 115.464 114.554 -0.055 0.000 3.047 314 T HA 0.369 4.719 4.350 -0.000 0.000 0.340 314 T C 0.206 174.905 174.700 -0.002 0.000 1.421 314 T CA -0.819 61.267 62.100 -0.023 0.000 1.090 314 T CB 1.106 69.962 68.868 -0.022 0.000 1.292 314 T HN 0.346 nan 8.240 nan 0.000 0.480 315 S N 0.887 116.600 115.700 0.021 0.000 2.527 315 S HA 0.199 4.669 4.470 -0.000 0.000 0.222 315 S C 1.057 175.689 174.600 0.054 0.000 0.985 315 S CA -0.285 57.946 58.200 0.051 0.000 0.921 315 S CB -0.470 62.758 63.200 0.045 0.000 0.772 315 S HN 0.569 nan 8.310 nan 0.000 0.529 316 L N 2.648 123.892 121.223 0.034 0.000 2.516 316 L HA 0.062 4.402 4.340 -0.000 0.000 0.288 316 L C -2.157 174.747 176.870 0.057 0.000 1.246 316 L CA -1.179 53.681 54.840 0.032 0.000 0.844 316 L CB -0.210 41.854 42.059 0.009 0.000 1.106 316 L HN 0.043 nan 8.230 nan 0.000 0.509 317 P HA 0.028 nan 4.420 nan 0.000 0.276 317 P C 0.280 177.648 177.300 0.112 0.000 1.252 317 P CA -0.419 62.739 63.100 0.096 0.000 0.802 317 P CB 0.470 32.215 31.700 0.075 0.000 1.035 318 F N 1.967 121.925 119.950 0.012 0.000 2.161 318 F HA -0.237 4.290 4.527 0.000 0.000 0.300 318 F C 1.893 177.692 175.800 -0.002 0.000 1.089 318 F CA 2.290 60.294 58.000 0.006 0.000 1.282 318 F CB -0.525 38.481 39.000 0.010 0.000 1.010 318 F HN 0.339 nan 8.300 nan 0.000 0.485 319 D N -0.090 120.308 120.400 -0.002 0.000 2.104 319 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 319 D C 2.055 178.277 176.300 -0.131 0.000 0.994 319 D CA 2.012 55.969 54.000 -0.072 0.000 0.830 319 D CB -1.174 39.630 40.800 0.007 0.000 0.959 319 D HN 0.292 nan 8.370 nan 0.000 0.452 320 V N 0.716 120.577 119.914 -0.090 0.000 2.548 320 V HA -0.198 3.922 4.120 -0.000 0.000 0.249 320 V C 2.805 178.821 176.094 -0.131 0.000 1.055 320 V CA 1.426 63.676 62.300 -0.084 0.000 1.065 320 V CB -0.745 31.055 31.823 -0.039 0.000 0.681 320 V HN 0.164 nan 8.190 nan 0.000 0.462 321 Q N -0.522 119.166 119.800 -0.185 0.000 2.050 321 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 321 Q C 2.361 178.178 176.000 -0.305 0.000 0.980 321 Q CA 1.827 57.489 55.803 -0.236 0.000 0.840 321 Q CB -0.223 28.355 28.738 -0.266 0.000 0.898 321 Q HN 0.560 nan 8.270 nan 0.000 0.424 322 M N 0.111 119.446 119.600 -0.441 0.000 2.086 322 M HA -0.244 4.236 4.480 -0.000 0.000 0.261 322 M C 2.155 178.332 176.300 -0.205 0.000 1.067 322 M CA 1.671 56.758 55.300 -0.354 0.000 1.116 322 M CB -0.302 32.067 32.600 -0.385 0.000 1.348 322 M HN 0.227 nan 8.290 nan 0.000 0.407 323 Q N 0.345 120.044 119.800 -0.168 0.000 2.050 323 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 323 Q C 1.971 177.905 176.000 -0.110 0.000 0.980 323 Q CA 1.436 57.170 55.803 -0.116 0.000 0.840 323 Q CB -0.249 28.436 28.738 -0.090 0.000 0.898 323 Q HN 0.518 nan 8.270 nan 0.000 0.424 324 I N -0.137 120.366 120.570 -0.112 0.000 2.127 324 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 324 I C 2.236 178.287 176.117 -0.111 0.000 1.075 324 I CA 0.992 62.231 61.300 -0.102 0.000 1.334 324 I CB -0.418 37.529 38.000 -0.088 0.000 1.040 324 I HN 0.046 nan 8.210 nan 0.000 0.405 325 V N 0.745 120.583 119.914 -0.127 0.000 2.233 325 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 325 V C 2.549 178.572 176.094 -0.118 0.000 1.050 325 V CA 2.024 64.249 62.300 -0.125 0.000 1.010 325 V CB -0.722 31.019 31.823 -0.137 0.000 0.637 325 V HN 0.361 nan 8.190 nan 0.000 0.444 326 R N 0.509 120.939 120.500 -0.118 0.000 2.193 326 R HA -0.102 4.238 4.340 -0.000 0.000 0.229 326 R C 2.265 178.509 176.300 -0.094 0.000 1.110 326 R CA 1.372 57.410 56.100 -0.104 0.000 0.988 326 R CB -0.433 29.809 30.300 -0.097 0.000 0.871 326 R HN 0.661 nan 8.270 nan 0.000 0.458 327 S N -0.294 115.349 115.700 -0.095 0.000 2.660 327 S HA 0.041 4.511 4.470 -0.000 0.000 0.228 327 S C 0.719 175.264 174.600 -0.092 0.000 0.966 327 S CA 0.188 58.334 58.200 -0.091 0.000 0.940 327 S CB 0.034 63.176 63.200 -0.097 0.000 0.773 327 S HN 0.088 nan 8.310 nan 0.000 0.535 328 M N 1.350 120.893 119.600 -0.093 0.000 2.528 328 M HA 0.335 4.815 4.480 -0.000 0.000 0.321 328 M C -0.181 176.069 176.300 -0.084 0.000 1.153 328 M CA -0.546 54.701 55.300 -0.087 0.000 0.951 328 M CB 2.078 34.622 32.600 -0.094 0.000 1.705 328 M HN 0.164 nan 8.290 nan 0.000 0.451 329 Q N 0.774 120.537 119.800 -0.063 0.000 2.247 329 Q HA 0.168 4.508 4.340 -0.000 0.000 0.288 329 Q C 0.799 176.743 176.000 -0.094 0.000 1.079 329 Q CA 1.637 57.406 55.803 -0.058 0.000 0.932 329 Q CB 0.286 29.014 28.738 -0.017 0.000 1.133 329 Q HN 0.997 nan 8.270 nan 0.000 0.377 330 G N 3.693 112.424 108.800 -0.115 0.000 2.254 330 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.225 330 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.225 330 G C 0.466 175.238 174.900 -0.213 0.000 1.003 330 G CA 0.300 45.289 45.100 -0.185 0.000 0.622 330 G HN 0.601 nan 8.290 nan 0.000 0.507 331 M N 0.232 119.733 119.600 -0.165 0.000 2.416 331 M HA 0.336 4.816 4.480 -0.000 0.000 0.337 331 M C 1.332 177.558 176.300 -0.123 0.000 1.074 331 M CA 0.339 55.542 55.300 -0.161 0.000 0.968 331 M CB 0.619 33.130 32.600 -0.149 0.000 1.472 331 M HN 0.186 nan 8.290 nan 0.000 0.539 332 E N 1.658 121.793 120.200 -0.107 0.000 2.204 332 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 332 E C 1.205 177.758 176.600 -0.078 0.000 0.989 332 E CA 0.966 57.315 56.400 -0.085 0.000 0.824 332 E CB 0.037 29.694 29.700 -0.072 0.000 0.756 332 E HN 0.400 nan 8.360 nan 0.000 0.477 333 N N 0.068 118.718 118.700 -0.083 0.000 2.214 333 N HA 0.187 4.927 4.740 -0.000 0.000 0.214 333 N C -0.491 174.975 175.510 -0.073 0.000 1.132 333 N CA 0.136 53.145 53.050 -0.069 0.000 0.856 333 N CB 0.746 39.197 38.487 -0.061 0.000 1.020 333 N HN 0.027 nan 8.380 nan 0.000 0.509 334 A N 1.175 123.939 122.820 -0.094 0.000 2.477 334 A HA 0.226 4.546 4.320 -0.000 0.000 0.246 334 A C 0.325 177.871 177.584 -0.064 0.000 1.078 334 A CA 0.289 52.270 52.037 -0.094 0.000 0.770 334 A CB 0.414 19.340 19.000 -0.123 0.000 1.011 334 A HN 0.086 nan 8.150 nan 0.000 0.494 335 K N 1.672 122.049 120.400 -0.039 0.000 2.207 335 K HA 0.544 4.864 4.320 -0.000 0.000 0.255 335 K C -1.074 175.536 176.600 0.016 0.000 0.941 335 K CA -0.346 55.939 56.287 -0.004 0.000 0.825 335 K CB 2.023 34.532 32.500 0.014 0.000 1.119 335 K HN 0.646 nan 8.250 nan 0.000 0.430 336 I N 3.115 123.720 120.570 0.058 0.000 2.371 336 I HA -0.028 4.142 4.170 -0.000 0.000 0.290 336 I C 1.255 177.442 176.117 0.117 0.000 1.028 336 I CA -0.248 61.113 61.300 0.101 0.000 1.345 336 I CB 1.209 39.318 38.000 0.182 0.000 1.407 336 I HN 0.475 nan 8.210 nan 0.000 0.501 337 V N 5.230 125.194 119.914 0.083 0.000 2.446 337 V HA 0.042 4.162 4.120 -0.000 0.000 0.244 337 V C 0.809 176.947 176.094 0.073 0.000 1.039 337 V CA 0.937 63.278 62.300 0.069 0.000 1.045 337 V CB -0.699 31.158 31.823 0.057 0.000 0.681 337 V HN 0.667 nan 8.190 nan 0.000 0.459 338 R N 1.139 121.695 120.500 0.093 0.000 2.483 338 R HA 0.431 4.771 4.340 -0.000 0.000 0.303 338 R C -2.927 173.460 176.300 0.146 0.000 0.987 338 R CA -1.845 54.317 56.100 0.104 0.000 0.881 338 R CB 1.981 32.348 30.300 0.112 0.000 1.177 338 R HN 0.175 nan 8.270 nan 0.000 0.451 339 P HA 0.006 nan 4.420 nan 0.000 0.269 339 P C 0.133 177.567 177.300 0.224 0.000 1.209 339 P CA -0.122 63.133 63.100 0.258 0.000 0.776 339 P CB 0.768 32.566 31.700 0.164 0.000 0.876 340 G N 2.048 110.937 108.800 0.150 0.000 2.491 340 G HA2 0.415 4.375 3.960 -0.000 0.000 0.242 340 G HA3 0.415 4.375 3.960 -0.000 0.000 0.242 340 G C -0.886 174.077 174.900 0.104 0.000 1.266 340 G CA -0.104 44.998 45.100 0.004 0.000 0.844 340 G HN 0.637 nan 8.290 nan 0.000 0.571 341 Y N -1.718 118.609 120.300 0.046 0.000 2.705 341 Y HA 0.767 5.317 4.550 0.000 0.000 0.332 341 Y C -0.306 175.622 175.900 0.045 0.000 1.221 341 Y CA -1.466 56.660 58.100 0.044 0.000 1.059 341 Y CB 0.937 39.409 38.460 0.020 0.000 1.298 341 Y HN 0.834 nan 8.280 nan 0.000 0.459 342 A N 1.328 124.312 122.820 0.274 0.000 2.374 342 A HA 0.865 5.185 4.320 -0.000 0.000 0.317 342 A C -1.520 176.205 177.584 0.236 0.000 1.094 342 A CA -0.866 51.291 52.037 0.201 0.000 0.765 342 A CB 0.841 19.943 19.000 0.171 0.000 1.268 342 A HN 0.677 nan 8.150 nan 0.000 0.438 343 I N 0.054 120.716 120.570 0.154 0.000 2.509 343 I HA 0.468 4.638 4.170 -0.000 0.000 0.293 343 I C -0.065 176.033 176.117 -0.032 0.000 1.020 343 I CA -0.328 60.947 61.300 -0.040 0.000 1.088 343 I CB 1.910 39.835 38.000 -0.126 0.000 1.267 343 I HN 0.572 nan 8.210 nan 0.000 0.430 344 E N 3.972 124.104 120.200 -0.114 0.000 2.191 344 E HA 0.490 4.840 4.350 -0.000 0.000 0.278 344 E C -1.628 174.846 176.600 -0.209 0.000 0.972 344 E CA -0.650 55.738 56.400 -0.019 0.000 0.804 344 E CB 1.900 31.672 29.700 0.119 0.000 1.110 344 E HN 0.456 nan 8.360 nan 0.000 0.394 345 Y N 0.608 120.931 120.300 0.038 0.000 2.545 345 Y HA 0.182 4.732 4.550 -0.000 0.000 0.348 345 Y C -0.053 175.858 175.900 0.018 0.000 1.002 345 Y CA -0.947 57.154 58.100 0.001 0.000 1.039 345 Y CB 1.581 40.040 38.460 -0.002 0.000 1.271 345 Y HN 0.381 nan 8.280 nan 0.000 0.467 346 D N 2.354 122.837 120.400 0.138 0.000 2.304 346 D HA 0.317 4.957 4.640 -0.000 0.000 0.247 346 D C -0.610 175.678 176.300 -0.020 0.000 1.089 346 D CA 0.297 54.260 54.000 -0.062 0.000 0.910 346 D CB 0.859 41.515 40.800 -0.240 0.000 1.199 346 D HN 0.387 nan 8.370 nan 0.000 0.426 347 F N -1.102 118.656 119.950 -0.320 0.000 2.664 347 F HA 0.663 5.190 4.527 -0.000 0.000 0.329 347 F C -0.888 174.533 175.800 -0.631 0.000 1.090 347 F CA -1.409 56.385 58.000 -0.344 0.000 0.978 347 F CB 0.983 39.934 39.000 -0.082 0.000 1.378 347 F HN 0.185 nan 8.300 nan 0.000 0.495 348 F N -0.196 119.676 119.950 -0.130 0.000 2.522 348 F HA -0.084 4.443 4.527 -0.000 0.000 0.435 348 F C -0.302 175.670 175.800 0.287 0.000 1.128 348 F CA -0.673 57.450 58.000 0.205 0.000 1.557 348 F CB -2.732 36.510 39.000 0.403 0.000 2.118 348 F HN 0.760 nan 8.300 nan 0.000 0.675 349 D N 4.367 124.929 120.400 0.271 0.000 2.554 349 D HA 0.020 4.660 4.640 -0.000 0.000 0.251 349 D C -1.029 175.438 176.300 0.278 0.000 1.213 349 D CA -0.445 53.720 54.000 0.275 0.000 0.900 349 D CB 1.123 42.014 40.800 0.152 0.000 1.135 349 D HN 0.192 nan 8.370 nan 0.000 0.522 350 P HA 0.001 nan 4.420 nan 0.000 0.247 350 P C 0.839 178.204 177.300 0.107 0.000 1.225 350 P CA 0.199 63.413 63.100 0.189 0.000 0.768 350 P CB 0.234 32.045 31.700 0.185 0.000 1.020 351 R N 0.148 120.713 120.500 0.109 0.000 2.280 351 R HA -0.021 4.319 4.340 -0.000 0.000 0.207 351 R C 0.794 177.122 176.300 0.045 0.000 1.043 351 R CA 0.787 56.927 56.100 0.066 0.000 1.006 351 R CB -0.341 30.001 30.300 0.069 0.000 0.885 351 R HN 0.136 nan 8.270 nan 0.000 0.467 352 D N -0.001 120.440 120.400 0.068 0.000 2.395 352 D HA 0.109 4.749 4.640 -0.000 0.000 0.226 352 D C -0.301 175.947 176.300 -0.086 0.000 1.146 352 D CA 0.344 54.378 54.000 0.058 0.000 0.830 352 D CB 0.299 41.259 40.800 0.265 0.000 0.958 352 D HN 0.144 nan 8.370 nan 0.000 0.501 353 L N 0.381 121.549 121.223 -0.091 0.000 2.354 353 L HA 0.364 4.704 4.340 -0.000 0.000 0.269 353 L C 0.618 177.421 176.870 -0.112 0.000 1.005 353 L CA -0.974 53.782 54.840 -0.139 0.000 0.819 353 L CB 2.325 44.341 42.059 -0.072 0.000 1.311 353 L HN -0.372 nan 8.230 nan 0.000 0.423 354 K N 2.404 122.723 120.400 -0.136 0.000 2.180 354 K HA 0.167 4.487 4.320 -0.000 0.000 0.251 354 K C -1.638 174.931 176.600 -0.051 0.000 1.014 354 K CA -1.435 54.793 56.287 -0.097 0.000 0.913 354 K CB 0.529 32.964 32.500 -0.108 0.000 1.008 354 K HN 0.333 nan 8.250 nan 0.000 0.490 355 P HA -0.124 nan 4.420 nan 0.000 0.236 355 P C 0.699 177.976 177.300 -0.038 0.000 1.172 355 P CA 1.148 64.219 63.100 -0.048 0.000 0.759 355 P CB -0.144 31.512 31.700 -0.072 0.000 0.843 356 T N -3.988 110.575 114.554 0.014 0.000 3.081 356 T HA 0.168 4.518 4.350 -0.000 0.000 0.250 356 T C 1.152 175.987 174.700 0.225 0.000 1.100 356 T CA -0.104 62.059 62.100 0.105 0.000 1.038 356 T CB -0.652 68.328 68.868 0.186 0.000 0.962 356 T HN 0.029 nan 8.240 nan 0.000 0.516 357 L N -0.775 120.536 121.223 0.148 0.000 4.885 357 L HA -0.146 4.194 4.340 -0.000 0.000 0.404 357 L C 0.355 177.290 176.870 0.108 0.000 0.970 357 L CA 0.407 55.361 54.840 0.190 0.000 1.426 357 L CB -1.925 40.295 42.059 0.269 0.000 1.934 357 L HN 0.486 nan 8.230 nan 0.000 0.613 358 E N 1.433 121.548 120.200 -0.142 0.000 2.360 358 E HA 0.242 4.592 4.350 -0.000 0.000 0.269 358 E C 0.542 176.874 176.600 -0.447 0.000 1.022 358 E CA 0.355 56.342 56.400 -0.688 0.000 0.887 358 E CB 1.066 30.303 29.700 -0.771 0.000 0.990 358 E HN 0.165 nan 8.360 nan 0.000 0.426 359 S N 3.271 118.670 115.700 -0.502 0.000 2.549 359 S HA -0.010 4.460 4.470 -0.000 0.000 0.286 359 S C 0.757 175.126 174.600 -0.385 0.000 1.314 359 S CA 0.040 57.957 58.200 -0.471 0.000 1.062 359 S CB 0.554 63.478 63.200 -0.460 0.000 0.865 359 S HN 0.567 nan 8.310 nan 0.000 0.498 360 K N 3.223 123.363 120.400 -0.433 0.000 2.439 360 K HA 0.012 4.332 4.320 -0.000 0.000 0.197 360 K C 0.580 176.745 176.600 -0.724 0.000 1.041 360 K CA 1.153 57.082 56.287 -0.596 0.000 0.970 360 K CB -0.019 32.010 32.500 -0.785 0.000 0.773 360 K HN 0.683 nan 8.250 nan 0.000 0.479 361 F N -0.130 119.707 119.950 -0.188 0.000 2.602 361 F HA 0.255 4.782 4.527 -0.000 0.000 0.284 361 F C 0.749 176.476 175.800 -0.122 0.000 1.111 361 F CA -0.266 57.649 58.000 -0.142 0.000 1.405 361 F CB 0.615 39.529 39.000 -0.144 0.000 1.121 361 F HN -0.212 nan 8.300 nan 0.000 0.603 362 I N 0.807 121.381 120.570 0.006 0.000 2.389 362 I HA 0.223 4.393 4.170 -0.000 0.000 0.288 362 I C -0.606 175.455 176.117 -0.093 0.000 0.999 362 I CA -0.781 60.506 61.300 -0.022 0.000 1.129 362 I CB 1.568 39.573 38.000 0.007 0.000 1.288 362 I HN -0.072 nan 8.210 nan 0.000 0.444 363 Q N 3.714 123.469 119.800 -0.074 0.000 2.352 363 Q HA 0.333 4.672 4.340 -0.000 0.000 0.260 363 Q C 1.170 177.131 176.000 -0.064 0.000 0.976 363 Q CA 0.684 56.430 55.803 -0.094 0.000 0.881 363 Q CB 0.738 29.445 28.738 -0.052 0.000 1.235 363 Q HN 0.991 nan 8.270 nan 0.000 0.419 364 G N 1.413 110.156 108.800 -0.096 0.000 2.184 364 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 364 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 364 G C -0.490 174.456 174.900 0.077 0.000 0.975 364 G CA 0.155 45.290 45.100 0.058 0.000 0.642 364 G HN 0.433 nan 8.290 nan 0.000 0.536 365 L N 0.969 122.110 121.223 -0.137 0.000 2.287 365 L HA 0.858 5.198 4.340 -0.000 0.000 0.287 365 L C -0.678 176.085 176.870 -0.178 0.000 1.022 365 L CA -1.449 53.396 54.840 0.009 0.000 0.814 365 L CB 0.554 42.656 42.059 0.072 0.000 1.217 365 L HN 0.010 nan 8.230 nan 0.000 0.420 366 F N 4.721 124.798 119.950 0.211 0.000 2.522 366 F HA 0.609 5.136 4.527 -0.000 0.000 0.324 366 F C -0.543 175.536 175.800 0.464 0.000 1.077 366 F CA -0.440 57.705 58.000 0.241 0.000 0.944 366 F CB 1.610 40.696 39.000 0.142 0.000 1.175 366 F HN 0.184 nan 8.300 nan 0.000 0.468 367 F N 1.651 121.730 119.950 0.216 0.000 2.507 367 F HA 0.778 5.305 4.527 -0.000 0.000 0.325 367 F C -0.122 175.785 175.800 0.179 0.000 1.116 367 F CA -1.394 56.714 58.000 0.179 0.000 0.930 367 F CB 1.617 40.712 39.000 0.158 0.000 1.146 367 F HN 0.545 nan 8.300 nan 0.000 0.447 368 A N 1.892 124.878 122.820 0.278 0.000 2.549 368 A HA 0.838 5.158 4.320 -0.000 0.000 0.297 368 A C 0.036 177.704 177.584 0.139 0.000 1.061 368 A CA -0.073 52.083 52.037 0.199 0.000 0.690 368 A CB 1.288 20.387 19.000 0.165 0.000 1.287 368 A HN 1.698 nan 8.150 nan 0.000 0.402 369 G N 1.034 109.904 108.800 0.116 0.000 2.498 369 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.245 369 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.245 369 G C 0.958 175.884 174.900 0.044 0.000 1.204 369 G CA 1.224 46.370 45.100 0.076 0.000 0.933 369 G HN 2.014 nan 8.290 nan 0.000 0.574 370 Q N 0.147 119.940 119.800 -0.012 0.000 2.224 370 Q HA 0.171 4.511 4.340 -0.000 0.000 0.203 370 Q C 2.625 178.600 176.000 -0.042 0.000 0.970 370 Q CA 1.793 57.542 55.803 -0.089 0.000 0.865 370 Q CB -0.051 28.557 28.738 -0.217 0.000 0.922 370 Q HN 0.822 nan 8.270 nan 0.000 0.445 371 I N 1.379 121.969 120.570 0.032 0.000 2.399 371 I HA -0.270 3.900 4.170 -0.000 0.000 0.254 371 I C 0.674 176.999 176.117 0.348 0.000 1.146 371 I CA 1.119 62.523 61.300 0.173 0.000 1.412 371 I CB 0.010 38.089 38.000 0.131 0.000 1.076 371 I HN 0.290 nan 8.210 nan 0.000 0.432 372 N N 0.994 119.856 118.700 0.270 0.000 2.322 372 N HA 0.129 4.869 4.740 -0.000 0.000 0.194 372 N C 1.093 176.665 175.510 0.103 0.000 1.126 372 N CA 0.915 54.147 53.050 0.304 0.000 0.845 372 N CB 0.580 39.207 38.487 0.233 0.000 0.976 372 N HN 0.494 nan 8.380 nan 0.000 0.475 373 G N 0.600 109.311 108.800 -0.148 0.000 2.148 373 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.254 373 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.254 373 G C 0.242 174.875 174.900 -0.446 0.000 0.981 373 G CA 0.795 45.425 45.100 -0.783 0.000 0.670 373 G HN 0.475 nan 8.290 nan 0.000 0.528 374 T N -2.388 112.041 114.554 -0.208 0.000 2.902 374 T HA 0.665 5.014 4.350 -0.000 0.000 0.283 374 T C 1.201 175.835 174.700 -0.109 0.000 1.009 374 T CA 0.617 62.632 62.100 -0.143 0.000 1.051 374 T CB 1.880 70.705 68.868 -0.071 0.000 0.999 374 T HN 0.780 nan 8.240 nan 0.000 0.474 375 T N -1.337 113.161 114.554 -0.094 0.000 2.971 375 T HA 0.356 4.706 4.350 -0.000 0.000 0.252 375 T C 1.216 175.875 174.700 -0.068 0.000 1.022 375 T CA 0.039 62.102 62.100 -0.062 0.000 0.980 375 T CB -0.296 68.537 68.868 -0.058 0.000 1.044 375 T HN 0.935 nan 8.240 nan 0.000 0.501 376 G N 0.433 109.172 108.800 -0.103 0.000 2.491 376 G HA2 0.378 4.338 3.960 -0.000 0.000 0.242 376 G HA3 0.378 4.338 3.960 -0.000 0.000 0.242 376 G C 0.201 175.023 174.900 -0.130 0.000 1.266 376 G CA -0.439 44.534 45.100 -0.210 0.000 0.844 376 G HN 0.170 nan 8.290 nan 0.000 0.571 377 Y N 0.835 121.001 120.300 -0.224 0.000 2.242 377 Y HA -0.022 4.528 4.550 -0.000 0.000 0.291 377 Y C 2.672 178.420 175.900 -0.253 0.000 1.137 377 Y CA 1.195 59.027 58.100 -0.446 0.000 1.181 377 Y CB -0.531 37.425 38.460 -0.839 0.000 0.989 377 Y HN 0.575 nan 8.280 nan 0.000 0.527 378 E N 0.200 120.362 120.200 -0.065 0.000 2.112 378 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 378 E C 1.946 178.558 176.600 0.020 0.000 0.979 378 E CA 1.099 57.480 56.400 -0.032 0.000 0.814 378 E CB -0.191 29.472 29.700 -0.062 0.000 0.762 378 E HN 0.345 nan 8.360 nan 0.000 0.460 379 E N 0.600 120.809 120.200 0.015 0.000 2.110 379 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 379 E C 1.856 178.491 176.600 0.058 0.000 0.988 379 E CA 1.289 57.712 56.400 0.037 0.000 0.804 379 E CB -0.281 29.427 29.700 0.012 0.000 0.745 379 E HN 0.303 nan 8.360 nan 0.000 0.458 380 A N 0.747 123.609 122.820 0.070 0.000 1.897 380 A HA 0.052 4.372 4.320 -0.000 0.000 0.215 380 A C 2.331 179.988 177.584 0.121 0.000 1.181 380 A CA 1.519 53.620 52.037 0.107 0.000 0.620 380 A CB -0.757 18.337 19.000 0.157 0.000 0.821 380 A HN 0.279 nan 8.150 nan 0.000 0.443 381 A N 0.201 123.095 122.820 0.123 0.000 1.858 381 A HA 0.121 4.441 4.320 -0.000 0.000 0.216 381 A C 2.552 180.197 177.584 0.101 0.000 1.190 381 A CA 2.368 54.476 52.037 0.119 0.000 0.617 381 A CB -1.276 17.787 19.000 0.105 0.000 0.827 381 A HN 1.121 nan 8.150 nan 0.000 0.443 382 A N -0.530 122.347 122.820 0.096 0.000 1.884 382 A HA -0.321 3.999 4.320 -0.000 0.000 0.219 382 A C 2.117 179.762 177.584 0.101 0.000 1.197 382 A CA 2.071 54.171 52.037 0.104 0.000 0.637 382 A CB -0.866 18.199 19.000 0.108 0.000 0.827 382 A HN 0.685 nan 8.150 nan 0.000 0.450 383 Q N -1.008 118.849 119.800 0.095 0.000 2.170 383 Q HA -0.087 4.253 4.340 -0.000 0.000 0.203 383 Q C 2.153 178.214 176.000 0.103 0.000 0.976 383 Q CA 1.056 56.918 55.803 0.099 0.000 0.858 383 Q CB -0.409 28.392 28.738 0.105 0.000 0.907 383 Q HN 0.716 nan 8.270 nan 0.000 0.433 384 G N 1.039 109.897 108.800 0.097 0.000 2.394 384 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.215 384 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.215 384 G C 1.366 176.305 174.900 0.066 0.000 1.165 384 G CA 0.226 45.376 45.100 0.082 0.000 0.784 384 G HN 0.247 nan 8.290 nan 0.000 0.535 385 L N -0.359 120.911 121.223 0.077 0.000 2.017 385 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 385 L C 2.689 179.605 176.870 0.076 0.000 1.073 385 L CA 1.014 55.898 54.840 0.074 0.000 0.745 385 L CB -0.183 41.933 42.059 0.096 0.000 0.894 385 L HN 0.247 nan 8.230 nan 0.000 0.432 386 L N -0.084 121.199 121.223 0.099 0.000 2.017 386 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 386 L C 2.573 179.468 176.870 0.043 0.000 1.073 386 L CA 2.118 57.020 54.840 0.104 0.000 0.745 386 L CB -0.811 41.299 42.059 0.084 0.000 0.894 386 L HN 0.270 nan 8.230 nan 0.000 0.432 387 A N -0.891 121.953 122.820 0.041 0.000 1.930 387 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 387 A C 2.314 179.758 177.584 -0.232 0.000 1.175 387 A CA 1.451 53.476 52.037 -0.020 0.000 0.627 387 A CB -1.451 17.629 19.000 0.133 0.000 0.815 387 A HN 0.519 nan 8.150 nan 0.000 0.443 388 G N 0.430 109.166 108.800 -0.108 0.000 2.402 388 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.216 388 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.216 388 G C 1.521 176.337 174.900 -0.141 0.000 1.162 388 G CA 1.201 46.227 45.100 -0.123 0.000 0.777 388 G HN 0.811 nan 8.290 nan 0.000 0.539 389 L N -0.202 120.972 121.223 -0.080 0.000 2.056 389 L HA 0.131 4.471 4.340 -0.000 0.000 0.207 389 L C 1.977 178.784 176.870 -0.104 0.000 1.078 389 L CA 2.323 57.133 54.840 -0.050 0.000 0.749 389 L CB -1.023 41.057 42.059 0.035 0.000 0.901 389 L HN 0.158 nan 8.230 nan 0.000 0.433 390 N N 0.370 118.961 118.700 -0.183 0.000 2.270 390 N HA -0.038 4.702 4.740 -0.000 0.000 0.181 390 N C 1.900 177.073 175.510 -0.562 0.000 1.016 390 N CA 0.925 53.822 53.050 -0.254 0.000 0.870 390 N CB -0.265 38.154 38.487 -0.114 0.000 0.979 390 N HN 0.569 nan 8.380 nan 0.000 0.431 391 A N 1.008 123.282 122.820 -0.909 0.000 1.930 391 A HA 0.077 4.397 4.320 -0.000 0.000 0.217 391 A C 2.279 179.746 177.584 -0.195 0.000 1.175 391 A CA 1.476 53.123 52.037 -0.650 0.000 0.627 391 A CB -0.607 18.083 19.000 -0.516 0.000 0.815 391 A HN 0.328 nan 8.150 nan 0.000 0.443 392 A N -0.332 122.392 122.820 -0.159 0.000 1.897 392 A HA -0.079 4.240 4.320 -0.000 0.000 0.215 392 A C 2.231 179.795 177.584 -0.032 0.000 1.181 392 A CA 1.165 53.163 52.037 -0.064 0.000 0.620 392 A CB -0.400 18.566 19.000 -0.056 0.000 0.821 392 A HN 0.381 nan 8.150 nan 0.000 0.443 393 R N -0.554 119.924 120.500 -0.037 0.000 2.082 393 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 393 R C 2.172 178.493 176.300 0.035 0.000 1.136 393 R CA 1.560 57.662 56.100 0.004 0.000 0.935 393 R CB -1.489 28.825 30.300 0.023 0.000 0.842 393 R HN 0.574 nan 8.270 nan 0.000 0.430 394 L N 1.576 122.838 121.223 0.066 0.000 2.089 394 L HA -0.254 4.086 4.340 -0.000 0.000 0.213 394 L C 2.442 179.362 176.870 0.084 0.000 1.079 394 L CA 2.158 57.069 54.840 0.117 0.000 0.758 394 L CB -0.319 41.885 42.059 0.241 0.000 0.891 394 L HN 0.308 nan 8.230 nan 0.000 0.433 395 S N -1.120 114.617 115.700 0.060 0.000 2.489 395 S HA 0.072 4.542 4.470 -0.000 0.000 0.228 395 S C 1.562 176.184 174.600 0.038 0.000 0.995 395 S CA 0.336 58.569 58.200 0.054 0.000 0.934 395 S CB -0.170 63.060 63.200 0.051 0.000 0.771 395 S HN 0.408 nan 8.310 nan 0.000 0.522 396 A N 1.278 124.114 122.820 0.027 0.000 2.462 396 A HA 0.316 4.636 4.320 -0.000 0.000 0.261 396 A C 0.173 177.770 177.584 0.021 0.000 1.323 396 A CA -0.118 51.929 52.037 0.018 0.000 0.913 396 A CB -0.529 18.474 19.000 0.006 0.000 1.028 396 A HN 0.387 nan 8.150 nan 0.000 0.511 397 D N 0.411 120.830 120.400 0.032 0.000 2.720 397 D HA -0.156 4.484 4.640 -0.000 0.000 0.229 397 D C 0.006 176.324 176.300 0.030 0.000 1.198 397 D CA 1.434 55.454 54.000 0.033 0.000 0.639 397 D CB -0.696 40.119 40.800 0.025 0.000 1.003 397 D HN 0.627 nan 8.370 nan 0.000 0.411 398 K N 0.099 120.520 120.400 0.036 0.000 2.350 398 K HA 0.364 4.684 4.320 -0.000 0.000 0.241 398 K C 0.442 177.074 176.600 0.053 0.000 0.994 398 K CA -0.877 55.431 56.287 0.033 0.000 0.839 398 K CB 2.078 34.590 32.500 0.020 0.000 1.244 398 K HN -0.116 nan 8.250 nan 0.000 0.443 399 E N 0.695 120.928 120.200 0.054 0.000 2.366 399 E HA 0.127 4.477 4.350 -0.000 0.000 0.266 399 E C 0.189 176.851 176.600 0.104 0.000 1.051 399 E CA -0.065 56.380 56.400 0.075 0.000 0.884 399 E CB 1.270 31.009 29.700 0.066 0.000 1.006 399 E HN 0.759 nan 8.360 nan 0.000 0.417 400 G N 0.953 109.832 108.800 0.133 0.000 2.651 400 G HA2 0.087 4.047 3.960 -0.000 0.000 0.260 400 G HA3 0.087 4.047 3.960 -0.000 0.000 0.260 400 G C -1.228 173.819 174.900 0.244 0.000 1.216 400 G CA -0.364 44.841 45.100 0.176 0.000 0.913 400 G HN 0.507 nan 8.290 nan 0.000 0.535 401 W N 0.330 121.649 121.300 0.032 0.000 2.600 401 W HA 0.642 5.302 4.660 -0.000 0.000 0.325 401 W C -0.450 176.092 176.519 0.038 0.000 1.034 401 W CA -1.512 55.848 57.345 0.024 0.000 1.226 401 W CB 1.507 30.972 29.460 0.009 0.000 1.379 401 W HN 0.643 nan 8.180 nan 0.000 0.466 402 A N 8.702 131.283 122.820 -0.400 0.000 2.399 402 A HA 0.572 4.892 4.320 -0.000 0.000 0.327 402 A C -2.423 174.704 177.584 -0.762 0.000 1.367 402 A CA -1.400 50.362 52.037 -0.457 0.000 0.842 402 A CB 0.092 18.980 19.000 -0.186 0.000 1.142 402 A HN 0.406 nan 8.150 nan 0.000 0.495 403 P HA 0.372 nan 4.420 nan 0.000 0.271 403 P C -0.017 177.064 177.300 -0.366 0.000 1.218 403 P CA 0.091 62.627 63.100 -0.940 0.000 0.780 403 P CB 1.219 32.291 31.700 -1.046 0.000 0.901 404 A N 3.356 126.068 122.820 -0.180 0.000 2.293 404 A HA 0.270 4.590 4.320 -0.000 0.000 0.302 404 A C 1.561 179.099 177.584 -0.077 0.000 1.119 404 A CA -0.626 51.354 52.037 -0.094 0.000 0.823 404 A CB 0.344 19.325 19.000 -0.032 0.000 1.097 404 A HN 0.493 nan 8.150 nan 0.000 0.491 405 R N 0.622 121.080 120.500 -0.070 0.000 2.117 405 R HA -0.168 4.172 4.340 -0.000 0.000 0.243 405 R C 2.019 178.261 176.300 -0.095 0.000 1.143 405 R CA 2.001 58.055 56.100 -0.077 0.000 0.968 405 R CB -0.260 30.003 30.300 -0.062 0.000 0.863 405 R HN 0.862 nan 8.270 nan 0.000 0.444 406 S N -0.300 115.362 115.700 -0.063 0.000 2.562 406 S HA -0.011 4.459 4.470 -0.000 0.000 0.221 406 S C 1.669 176.247 174.600 -0.035 0.000 0.975 406 S CA 0.187 58.353 58.200 -0.056 0.000 0.918 406 S CB 0.278 63.463 63.200 -0.026 0.000 0.772 406 S HN 0.318 nan 8.310 nan 0.000 0.531 407 Q N 0.811 120.604 119.800 -0.011 0.000 2.204 407 Q HA 0.458 4.798 4.340 -0.000 0.000 0.198 407 Q C 0.492 176.519 176.000 0.045 0.000 0.946 407 Q CA 0.885 56.718 55.803 0.049 0.000 0.859 407 Q CB 0.314 29.125 28.738 0.121 0.000 0.946 407 Q HN 0.704 nan 8.270 nan 0.000 0.474 408 A N -1.425 121.390 122.820 -0.009 0.000 2.594 408 A HA 0.285 4.605 4.320 -0.000 0.000 0.296 408 A C -1.016 176.549 177.584 -0.032 0.000 1.056 408 A CA -0.697 51.357 52.037 0.029 0.000 0.693 408 A CB -0.198 18.884 19.000 0.137 0.000 1.278 408 A HN 0.223 nan 8.150 nan 0.000 0.408 409 Y N 0.796 121.164 120.300 0.113 0.000 2.315 409 Y HA -0.206 4.343 4.550 -0.000 0.000 0.288 409 Y C 2.198 178.147 175.900 0.081 0.000 1.154 409 Y CA 2.098 60.261 58.100 0.106 0.000 1.229 409 Y CB 0.051 38.615 38.460 0.174 0.000 0.980 409 Y HN 0.729 nan 8.280 nan 0.000 0.540 410 L N -0.019 121.331 121.223 0.212 0.000 2.046 410 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 410 L C 2.364 179.251 176.870 0.028 0.000 1.077 410 L CA 2.282 57.194 54.840 0.120 0.000 0.747 410 L CB -1.138 40.988 42.059 0.111 0.000 0.896 410 L HN 0.141 nan 8.230 nan 0.000 0.432 411 G N -1.041 107.745 108.800 -0.024 0.000 2.418 411 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 411 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 411 G C 1.527 176.405 174.900 -0.036 0.000 1.158 411 G CA 1.005 46.056 45.100 -0.081 0.000 0.771 411 G HN 0.334 nan 8.290 nan 0.000 0.545 412 V N 1.014 120.925 119.914 -0.004 0.000 2.252 412 V HA -0.202 3.918 4.120 -0.000 0.000 0.249 412 V C 2.694 178.820 176.094 0.053 0.000 1.056 412 V CA 1.778 64.097 62.300 0.032 0.000 1.022 412 V CB -0.585 31.295 31.823 0.095 0.000 0.641 412 V HN 0.361 nan 8.190 nan 0.000 0.445 413 L N -0.244 121.029 121.223 0.084 0.000 2.017 413 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 413 L C 2.442 179.330 176.870 0.031 0.000 1.073 413 L CA 1.933 56.810 54.840 0.061 0.000 0.745 413 L CB -0.208 41.898 42.059 0.079 0.000 0.894 413 L HN 0.235 nan 8.230 nan 0.000 0.432 414 V N 0.092 120.016 119.914 0.017 0.000 2.307 414 V HA -0.308 3.812 4.120 -0.000 0.000 0.245 414 V C 2.273 178.362 176.094 -0.007 0.000 1.045 414 V CA 2.031 64.333 62.300 0.002 0.000 1.024 414 V CB -0.649 31.159 31.823 -0.025 0.000 0.651 414 V HN 0.503 nan 8.190 nan 0.000 0.449 415 D N 0.366 120.752 120.400 -0.022 0.000 2.154 415 D HA -0.257 4.383 4.640 -0.000 0.000 0.190 415 D C 1.769 178.065 176.300 -0.005 0.000 1.003 415 D CA 2.032 56.019 54.000 -0.021 0.000 0.849 415 D CB -0.187 40.597 40.800 -0.027 0.000 0.942 415 D HN 0.420 nan 8.370 nan 0.000 0.446 416 D N -0.779 119.623 120.400 0.004 0.000 2.117 416 D HA -0.090 4.550 4.640 -0.000 0.000 0.197 416 D C 2.296 178.605 176.300 0.015 0.000 0.987 416 D CA 0.538 54.543 54.000 0.008 0.000 0.829 416 D CB -0.313 40.492 40.800 0.008 0.000 0.961 416 D HN 0.310 nan 8.370 nan 0.000 0.460 417 L N 0.077 121.312 121.223 0.021 0.000 1.994 417 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 417 L C 2.687 179.585 176.870 0.047 0.000 1.071 417 L CA 0.933 55.798 54.840 0.041 0.000 0.745 417 L CB -0.582 41.509 42.059 0.053 0.000 0.892 417 L HN 0.129 nan 8.230 nan 0.000 0.431 418 C N -0.713 118.604 119.300 0.029 0.000 2.413 418 C HA -0.160 4.300 4.460 -0.000 0.000 0.277 418 C C 2.868 177.867 174.990 0.015 0.000 1.265 418 C CA 1.557 60.585 59.018 0.017 0.000 1.752 418 C CB -0.969 26.767 27.740 -0.006 0.000 1.998 418 C HN 0.579 nan 8.230 nan 0.000 0.489 419 T N 0.420 114.981 114.554 0.012 0.000 2.953 419 T HA 0.133 4.483 4.350 -0.000 0.000 0.247 419 T C 1.634 176.346 174.700 0.020 0.000 1.029 419 T CA 0.790 62.896 62.100 0.010 0.000 1.144 419 T CB -0.092 68.776 68.868 0.001 0.000 0.870 419 T HN 0.391 nan 8.240 nan 0.000 0.446 420 L N 0.102 121.339 121.223 0.024 0.000 2.408 420 L HA 0.359 4.699 4.340 -0.000 0.000 0.215 420 L C 2.149 179.048 176.870 0.049 0.000 1.081 420 L CA 0.616 55.473 54.840 0.029 0.000 0.840 420 L CB -0.288 41.783 42.059 0.019 0.000 1.002 420 L HN 0.541 nan 8.230 nan 0.000 0.468 421 G N 0.849 109.686 108.800 0.061 0.000 2.175 421 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 421 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 421 G C 0.360 175.312 174.900 0.088 0.000 0.982 421 G CA 0.320 45.481 45.100 0.102 0.000 0.641 421 G HN 0.430 nan 8.290 nan 0.000 0.527 422 T N -1.954 112.621 114.554 0.036 0.000 2.883 422 T HA 0.682 5.032 4.350 -0.000 0.000 0.301 422 T C -0.116 174.567 174.700 -0.030 0.000 1.158 422 T CA -0.189 61.904 62.100 -0.011 0.000 1.007 422 T CB 2.343 71.199 68.868 -0.019 0.000 1.186 422 T HN 0.844 nan 8.240 nan 0.000 0.499 423 K N 0.762 121.121 120.400 -0.069 0.000 2.149 423 K HA 0.335 4.655 4.320 -0.000 0.000 0.245 423 K C 0.072 176.611 176.600 -0.102 0.000 1.024 423 K CA -0.796 55.441 56.287 -0.084 0.000 0.899 423 K CB 0.735 33.154 32.500 -0.134 0.000 1.038 423 K HN 0.778 nan 8.250 nan 0.000 0.496 424 E N 1.432 121.579 120.200 -0.088 0.000 2.415 424 E HA 0.066 4.416 4.350 -0.000 0.000 0.263 424 E C -2.049 174.442 176.600 -0.182 0.000 0.995 424 E CA -1.956 54.396 56.400 -0.080 0.000 0.915 424 E CB 0.339 30.031 29.700 -0.014 0.000 0.951 424 E HN 0.342 nan 8.360 nan 0.000 0.449 425 P HA -0.092 nan 4.420 nan 0.000 0.265 425 P C -0.473 176.757 177.300 -0.117 0.000 1.193 425 P CA 0.385 63.392 63.100 -0.155 0.000 0.765 425 P CB 0.255 31.923 31.700 -0.053 0.000 0.823 426 Y N 2.381 122.684 120.300 0.005 0.000 2.274 426 Y HA -0.203 4.347 4.550 -0.000 0.000 0.290 426 Y C 2.464 178.389 175.900 0.042 0.000 1.145 426 Y CA 1.357 59.464 58.100 0.012 0.000 1.203 426 Y CB -0.836 37.590 38.460 -0.057 0.000 0.984 426 Y HN 0.400 nan 8.280 nan 0.000 0.533 427 R N -0.624 119.971 120.500 0.159 0.000 2.200 427 R HA -0.171 4.169 4.340 -0.000 0.000 0.234 427 R C 1.297 177.653 176.300 0.093 0.000 1.127 427 R CA 1.597 57.761 56.100 0.105 0.000 0.989 427 R CB -0.454 29.885 30.300 0.064 0.000 0.869 427 R HN 0.175 nan 8.270 nan 0.000 0.459 428 M N -0.103 119.550 119.600 0.088 0.000 2.541 428 M HA 0.069 4.549 4.480 -0.000 0.000 0.252 428 M C 1.423 177.757 176.300 0.056 0.000 1.125 428 M CA 0.215 55.548 55.300 0.056 0.000 1.091 428 M CB -0.779 31.840 32.600 0.032 0.000 1.420 428 M HN 0.137 nan 8.290 nan 0.000 0.486 429 F N 1.413 121.364 119.950 0.001 0.000 2.095 429 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 429 F C 2.185 177.960 175.800 -0.041 0.000 1.104 429 F CA 1.793 59.780 58.000 -0.022 0.000 1.232 429 F CB -0.184 38.796 39.000 -0.033 0.000 0.987 429 F HN 0.099 nan 8.300 nan 0.000 0.475 430 T N -0.605 114.022 114.554 0.122 0.000 2.777 430 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 430 T C 2.162 176.802 174.700 -0.099 0.000 1.040 430 T CA 1.605 63.735 62.100 0.050 0.000 1.141 430 T CB -0.350 68.572 68.868 0.090 0.000 0.868 430 T HN 0.254 nan 8.240 nan 0.000 0.444 431 S N 1.412 117.046 115.700 -0.110 0.000 2.348 431 S HA -0.057 4.413 4.470 -0.000 0.000 0.221 431 S C 2.039 176.384 174.600 -0.426 0.000 1.033 431 S CA 0.971 59.053 58.200 -0.198 0.000 1.010 431 S CB -0.230 62.906 63.200 -0.107 0.000 0.891 431 S HN 0.437 nan 8.310 nan 0.000 0.442 432 R N 1.074 121.365 120.500 -0.348 0.000 2.280 432 R HA 0.186 4.526 4.340 -0.000 0.000 0.207 432 R C 2.322 178.364 176.300 -0.429 0.000 1.043 432 R CA 0.647 56.514 56.100 -0.387 0.000 1.006 432 R CB -0.333 29.896 30.300 -0.119 0.000 0.885 432 R HN 0.404 nan 8.270 nan 0.000 0.467 433 A N 1.424 123.983 122.820 -0.434 0.000 1.930 433 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 433 A C 1.812 179.244 177.584 -0.253 0.000 1.175 433 A CA 1.058 52.895 52.037 -0.333 0.000 0.627 433 A CB -0.227 18.607 19.000 -0.276 0.000 0.815 433 A HN 0.268 nan 8.150 nan 0.000 0.443 434 E N -1.093 118.889 120.200 -0.363 0.000 2.187 434 E HA -0.240 4.110 4.350 -0.000 0.000 0.199 434 E C 0.899 177.425 176.600 -0.123 0.000 1.004 434 E CA 1.604 57.826 56.400 -0.297 0.000 0.813 434 E CB -0.259 29.172 29.700 -0.448 0.000 0.736 434 E HN 0.858 nan 8.360 nan 0.000 0.468 435 Y N -0.828 119.439 120.300 -0.054 0.000 2.461 435 Y HA 0.204 4.754 4.550 -0.000 0.000 0.277 435 Y C 1.696 177.553 175.900 -0.073 0.000 1.182 435 Y CA -0.006 58.061 58.100 -0.054 0.000 1.276 435 Y CB 0.176 38.602 38.460 -0.056 0.000 1.087 435 Y HN -0.065 nan 8.280 nan 0.000 0.519 436 R N -1.330 119.174 120.500 0.006 0.000 2.306 436 R HA 0.256 4.596 4.340 -0.000 0.000 0.183 436 R C 1.256 177.532 176.300 -0.039 0.000 0.937 436 R CA 0.363 56.426 56.100 -0.061 0.000 1.118 436 R CB 0.050 30.252 30.300 -0.162 0.000 1.224 436 R HN 0.108 nan 8.270 nan 0.000 0.597 437 L N -0.117 121.092 121.223 -0.023 0.000 5.485 437 L HA -0.429 3.911 4.340 -0.000 0.000 0.444 437 L C 1.645 178.520 176.870 0.009 0.000 1.187 437 L CA 1.575 56.413 54.840 -0.004 0.000 1.101 437 L CB -0.973 41.092 42.059 0.010 0.000 1.301 437 L HN 0.276 nan 8.230 nan 0.000 0.651 438 M N -0.652 118.955 119.600 0.010 0.000 2.506 438 M HA 0.135 4.615 4.480 -0.000 0.000 0.260 438 M C 0.905 177.230 176.300 0.042 0.000 1.104 438 M CA 1.004 56.319 55.300 0.025 0.000 1.112 438 M CB -0.398 32.215 32.600 0.022 0.000 1.401 438 M HN 0.211 nan 8.290 nan 0.000 0.473 439 L N 1.944 123.178 121.223 0.019 0.000 2.395 439 L HA 0.188 4.528 4.340 -0.000 0.000 0.268 439 L C 0.115 177.187 176.870 0.336 0.000 1.223 439 L CA -0.030 54.849 54.840 0.064 0.000 1.093 439 L CB -0.464 41.405 42.059 -0.316 0.000 1.349 439 L HN 0.112 nan 8.230 nan 0.000 0.427 440 R N 0.823 121.506 120.500 0.306 0.000 2.854 440 R HA 0.312 4.651 4.340 -0.000 0.000 0.271 440 R C 0.535 177.007 176.300 0.287 0.000 0.996 440 R CA -0.889 55.409 56.100 0.330 0.000 0.961 440 R CB 1.926 32.322 30.300 0.159 0.000 1.182 440 R HN 0.310 nan 8.270 nan 0.000 0.479 441 E N 1.317 121.577 120.200 0.101 0.000 2.070 441 E HA -0.270 4.080 4.350 -0.000 0.000 0.197 441 E C 0.955 177.659 176.600 0.174 0.000 1.004 441 E CA 2.437 58.838 56.400 0.001 0.000 0.805 441 E CB -0.013 29.550 29.700 -0.228 0.000 0.744 441 E HN 0.673 nan 8.360 nan 0.000 0.451 442 D N 0.274 120.759 120.400 0.141 0.000 2.310 442 D HA -0.154 4.486 4.640 -0.000 0.000 0.212 442 D C 1.216 177.701 176.300 0.309 0.000 0.965 442 D CA 1.051 55.177 54.000 0.210 0.000 0.879 442 D CB -0.127 40.731 40.800 0.097 0.000 0.921 442 D HN 0.130 nan 8.370 nan 0.000 0.510 443 N N -0.208 118.638 118.700 0.244 0.000 2.197 443 N HA 0.214 4.954 4.740 -0.000 0.000 0.228 443 N C 1.267 176.845 175.510 0.113 0.000 1.212 443 N CA 0.234 53.372 53.050 0.147 0.000 0.883 443 N CB -0.070 38.481 38.487 0.106 0.000 1.107 443 N HN 0.172 nan 8.380 nan 0.000 0.519 444 A N 1.333 124.281 122.820 0.214 0.000 2.024 444 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 444 A C 1.779 179.332 177.584 -0.051 0.000 1.164 444 A CA 1.925 54.068 52.037 0.176 0.000 0.643 444 A CB -0.486 18.737 19.000 0.372 0.000 0.806 444 A HN 0.560 nan 8.150 nan 0.000 0.451 445 D N 0.455 120.612 120.400 -0.404 0.000 2.123 445 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 445 D C 1.819 177.998 176.300 -0.201 0.000 0.976 445 D CA 1.143 54.838 54.000 -0.507 0.000 0.831 445 D CB -0.951 39.325 40.800 -0.873 0.000 0.974 445 D HN 0.453 nan 8.370 nan 0.000 0.469 446 L N -0.233 121.009 121.223 0.030 0.000 2.081 446 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 446 L C 2.864 179.795 176.870 0.101 0.000 1.080 446 L CA 1.477 56.427 54.840 0.183 0.000 0.754 446 L CB -0.368 41.760 42.059 0.115 0.000 0.893 446 L HN -0.039 nan 8.230 nan 0.000 0.433 447 R N -0.580 119.949 120.500 0.048 0.000 2.093 447 R HA 0.036 4.376 4.340 -0.000 0.000 0.224 447 R C 1.852 178.172 176.300 0.032 0.000 1.101 447 R CA 0.963 57.099 56.100 0.060 0.000 0.979 447 R CB 0.076 30.426 30.300 0.084 0.000 0.877 447 R HN 0.300 nan 8.270 nan 0.000 0.441 448 L N -1.685 119.517 121.223 -0.035 0.000 2.840 448 L HA 0.181 4.521 4.340 -0.000 0.000 0.249 448 L C 1.476 178.229 176.870 -0.195 0.000 1.119 448 L CA 0.133 54.935 54.840 -0.062 0.000 0.930 448 L CB 0.444 42.524 42.059 0.036 0.000 1.295 448 L HN 0.040 nan 8.230 nan 0.000 0.534 449 T N 0.076 114.411 114.554 -0.364 0.000 2.821 449 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 449 T C 1.600 176.118 174.700 -0.304 0.000 1.046 449 T CA 1.529 63.336 62.100 -0.490 0.000 1.139 449 T CB -0.029 68.242 68.868 -0.995 0.000 0.871 449 T HN 0.332 nan 8.240 nan 0.000 0.454 450 E N 0.725 120.814 120.200 -0.185 0.000 2.051 450 E HA -0.041 4.309 4.350 -0.000 0.000 0.192 450 E C 2.137 178.650 176.600 -0.144 0.000 0.991 450 E CA 0.889 57.331 56.400 0.070 0.000 0.799 450 E CB -0.311 29.523 29.700 0.224 0.000 0.748 450 E HN 0.435 nan 8.360 nan 0.000 0.449 451 I N 0.965 121.417 120.570 -0.198 0.000 2.194 451 I HA -0.253 3.917 4.170 -0.000 0.000 0.246 451 I C 2.479 178.348 176.117 -0.412 0.000 1.093 451 I CA 1.380 62.469 61.300 -0.352 0.000 1.355 451 I CB -0.500 37.220 38.000 -0.467 0.000 1.046 451 I HN 0.205 nan 8.210 nan 0.000 0.413 452 G N 0.225 108.825 108.800 -0.334 0.000 2.402 452 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 452 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 452 G C 1.661 176.394 174.900 -0.277 0.000 1.162 452 G CA 0.742 45.675 45.100 -0.278 0.000 0.777 452 G HN 0.172 nan 8.290 nan 0.000 0.539 453 R N 0.892 121.193 120.500 -0.331 0.000 2.122 453 R HA -0.106 4.234 4.340 -0.000 0.000 0.236 453 R C 2.848 178.896 176.300 -0.421 0.000 1.129 453 R CA 2.701 58.505 56.100 -0.493 0.000 0.925 453 R CB -1.178 28.538 30.300 -0.973 0.000 0.850 453 R HN 0.354 nan 8.270 nan 0.000 0.431 454 E N 0.415 120.389 120.200 -0.377 0.000 2.130 454 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 454 E C 2.078 178.534 176.600 -0.240 0.000 0.998 454 E CA 1.828 58.059 56.400 -0.282 0.000 0.806 454 E CB -0.861 28.697 29.700 -0.236 0.000 0.738 454 E HN 0.519 nan 8.360 nan 0.000 0.459 455 L N -1.274 119.792 121.223 -0.263 0.000 2.599 455 L HA 0.336 4.676 4.340 -0.000 0.000 0.230 455 L C 2.042 178.817 176.870 -0.158 0.000 1.141 455 L CA 0.526 55.242 54.840 -0.208 0.000 0.877 455 L CB 0.350 42.265 42.059 -0.240 0.000 1.009 455 L HN 0.564 nan 8.230 nan 0.000 0.447 456 G N -0.234 108.460 108.800 -0.176 0.000 2.141 456 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.231 456 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.231 456 G C 0.637 175.468 174.900 -0.114 0.000 0.984 456 G CA 0.152 45.168 45.100 -0.139 0.000 0.660 456 G HN 0.298 nan 8.290 nan 0.000 0.525 457 L N -0.282 120.865 121.223 -0.127 0.000 2.554 457 L HA 0.326 4.666 4.340 -0.000 0.000 0.225 457 L C 0.663 177.490 176.870 -0.071 0.000 1.104 457 L CA 0.276 55.064 54.840 -0.086 0.000 0.866 457 L CB 0.622 42.631 42.059 -0.084 0.000 1.047 457 L HN 0.141 nan 8.230 nan 0.000 0.468 458 V N 0.630 120.484 119.914 -0.101 0.000 2.448 458 V HA 0.204 4.324 4.120 -0.000 0.000 0.295 458 V C -0.649 175.423 176.094 -0.036 0.000 1.025 458 V CA -1.060 61.205 62.300 -0.058 0.000 0.859 458 V CB 1.799 33.581 31.823 -0.069 0.000 0.988 458 V HN 0.166 nan 8.190 nan 0.000 0.431 459 D N 2.940 123.356 120.400 0.026 0.000 2.348 459 D HA 0.331 4.971 4.640 -0.000 0.000 0.249 459 D C 1.109 177.478 176.300 0.115 0.000 1.110 459 D CA 0.197 54.223 54.000 0.043 0.000 0.967 459 D CB 0.889 41.713 40.800 0.040 0.000 1.139 459 D HN 0.474 nan 8.370 nan 0.000 0.466 460 D N 0.078 120.542 120.400 0.107 0.000 2.149 460 D HA -0.257 4.383 4.640 -0.000 0.000 0.194 460 D C 1.538 177.943 176.300 0.175 0.000 1.001 460 D CA 2.021 56.118 54.000 0.162 0.000 0.849 460 D CB -0.737 40.125 40.800 0.102 0.000 0.939 460 D HN 0.704 nan 8.370 nan 0.000 0.449 461 E N -0.699 119.574 120.200 0.121 0.000 2.028 461 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 461 E C 2.474 179.147 176.600 0.120 0.000 0.988 461 E CA 0.814 57.273 56.400 0.099 0.000 0.799 461 E CB -0.049 29.694 29.700 0.072 0.000 0.755 461 E HN 0.475 nan 8.360 nan 0.000 0.447 462 R N 0.124 120.709 120.500 0.142 0.000 2.081 462 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 462 R C 2.317 178.766 176.300 0.247 0.000 1.131 462 R CA 1.508 57.707 56.100 0.165 0.000 0.960 462 R CB -0.444 29.940 30.300 0.140 0.000 0.856 462 R HN 0.436 nan 8.270 nan 0.000 0.436 463 W N 0.988 122.325 121.300 0.061 0.000 2.358 463 W HA -0.202 4.458 4.660 -0.000 0.000 0.303 463 W C 1.771 178.364 176.519 0.123 0.000 1.208 463 W CA 1.383 58.788 57.345 0.099 0.000 1.274 463 W CB -0.180 29.311 29.460 0.050 0.000 1.138 463 W HN 0.269 nan 8.180 nan 0.000 0.515 464 A N 1.144 124.017 122.820 0.088 0.000 1.865 464 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 464 A C 1.874 179.406 177.584 -0.086 0.000 1.191 464 A CA 2.375 54.384 52.037 -0.048 0.000 0.623 464 A CB -1.061 17.956 19.000 0.028 0.000 0.826 464 A HN 0.302 nan 8.150 nan 0.000 0.444 465 R N -0.838 119.660 120.500 -0.003 0.000 2.096 465 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 465 R C 1.743 178.026 176.300 -0.028 0.000 1.127 465 R CA 1.977 58.074 56.100 -0.005 0.000 0.968 465 R CB -1.065 29.266 30.300 0.051 0.000 0.861 465 R HN 0.492 nan 8.270 nan 0.000 0.440 466 F N 0.958 120.815 119.950 -0.156 0.000 2.171 466 F HA -0.089 4.438 4.527 -0.000 0.000 0.300 466 F C 1.575 177.193 175.800 -0.303 0.000 1.090 466 F CA 1.674 59.549 58.000 -0.208 0.000 1.293 466 F CB -0.345 38.543 39.000 -0.186 0.000 1.013 466 F HN 0.102 nan 8.300 nan 0.000 0.486 467 N N 0.520 118.866 118.700 -0.590 0.000 2.270 467 N HA -0.173 4.567 4.740 -0.000 0.000 0.181 467 N C 1.945 177.190 175.510 -0.441 0.000 1.016 467 N CA 1.181 53.828 53.050 -0.673 0.000 0.870 467 N CB -0.418 37.678 38.487 -0.652 0.000 0.979 467 N HN 0.566 nan 8.380 nan 0.000 0.431 468 E N 1.657 121.673 120.200 -0.305 0.000 2.031 468 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 468 E C 1.915 178.387 176.600 -0.212 0.000 0.994 468 E CA 1.138 57.415 56.400 -0.205 0.000 0.800 468 E CB 0.044 29.666 29.700 -0.130 0.000 0.752 468 E HN 0.171 nan 8.360 nan 0.000 0.447 469 K N 0.268 120.530 120.400 -0.230 0.000 2.026 469 K HA -0.193 4.126 4.320 -0.000 0.000 0.208 469 K C 2.381 178.821 176.600 -0.267 0.000 1.048 469 K CA 1.197 57.363 56.287 -0.203 0.000 0.929 469 K CB -0.226 32.179 32.500 -0.159 0.000 0.713 469 K HN 0.153 nan 8.250 nan 0.000 0.439 470 L N 2.071 123.026 121.223 -0.447 0.000 2.043 470 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 470 L C 1.868 178.570 176.870 -0.280 0.000 1.075 470 L CA 1.869 56.438 54.840 -0.452 0.000 0.752 470 L CB -0.390 41.228 42.059 -0.735 0.000 0.891 470 L HN 0.239 nan 8.230 nan 0.000 0.432 471 E N -0.957 119.089 120.200 -0.257 0.000 2.072 471 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 471 E C 1.849 178.374 176.600 -0.125 0.000 0.985 471 E CA 1.177 57.474 56.400 -0.171 0.000 0.801 471 E CB -0.093 29.513 29.700 -0.157 0.000 0.750 471 E HN 0.498 nan 8.360 nan 0.000 0.452 472 N N 0.434 119.060 118.700 -0.124 0.000 2.289 472 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 472 N C 1.653 177.115 175.510 -0.080 0.000 1.016 472 N CA 0.853 53.851 53.050 -0.087 0.000 0.872 472 N CB -0.056 38.383 38.487 -0.081 0.000 0.973 472 N HN 0.216 nan 8.380 nan 0.000 0.433 473 I N 0.343 120.852 120.570 -0.103 0.000 2.286 473 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 473 I C 2.338 178.412 176.117 -0.070 0.000 1.104 473 I CA 0.850 62.098 61.300 -0.087 0.000 1.397 473 I CB -0.073 37.866 38.000 -0.101 0.000 1.072 473 I HN 0.023 nan 8.210 nan 0.000 0.417 474 E N 1.628 121.779 120.200 -0.083 0.000 2.017 474 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 474 E C 2.288 178.859 176.600 -0.049 0.000 0.997 474 E CA 1.660 58.020 56.400 -0.066 0.000 0.804 474 E CB -0.117 29.537 29.700 -0.077 0.000 0.757 474 E HN 0.189 nan 8.360 nan 0.000 0.448 475 R N -0.112 120.359 120.500 -0.049 0.000 2.105 475 R HA -0.144 4.195 4.340 -0.000 0.000 0.239 475 R C 2.239 178.525 176.300 -0.023 0.000 1.135 475 R CA 1.495 57.574 56.100 -0.034 0.000 0.967 475 R CB -0.228 30.053 30.300 -0.032 0.000 0.861 475 R HN 0.161 nan 8.270 nan 0.000 0.442 476 E N 0.606 120.795 120.200 -0.019 0.000 2.208 476 E HA -0.088 4.261 4.350 -0.000 0.000 0.193 476 E C 1.602 178.199 176.600 -0.004 0.000 0.988 476 E CA 1.152 57.555 56.400 0.005 0.000 0.828 476 E CB 0.137 29.852 29.700 0.024 0.000 0.763 476 E HN 0.131 nan 8.360 nan 0.000 0.478 477 R N -0.651 119.836 120.500 -0.022 0.000 2.246 477 R HA 0.037 4.377 4.340 -0.000 0.000 0.199 477 R C 1.973 178.243 176.300 -0.051 0.000 0.984 477 R CA 0.649 56.729 56.100 -0.034 0.000 1.015 477 R CB 0.101 30.382 30.300 -0.031 0.000 0.930 477 R HN 0.145 nan 8.270 nan 0.000 0.475 478 Q N 0.667 120.440 119.800 -0.044 0.000 2.033 478 Q HA -0.007 4.332 4.340 -0.000 0.000 0.196 478 Q C 1.283 177.247 176.000 -0.060 0.000 0.970 478 Q CA 1.103 56.879 55.803 -0.046 0.000 0.828 478 Q CB 0.235 28.955 28.738 -0.030 0.000 0.895 478 Q HN -0.126 nan 8.270 nan 0.000 0.440 479 R N 0.528 121.003 120.500 -0.042 0.000 4.624 479 R HA 0.050 4.390 4.340 -0.000 0.000 0.214 479 R C -0.283 175.988 176.300 -0.049 0.000 2.026 479 R CA 0.261 56.339 56.100 -0.037 0.000 1.676 479 R CB -0.432 29.863 30.300 -0.008 0.000 1.291 479 R HN 0.308 nan 8.270 nan 0.000 0.739 480 L N -1.576 119.581 121.223 -0.109 0.000 4.127 480 L HA 0.105 4.444 4.340 -0.000 0.000 0.417 480 L C 1.639 178.352 176.870 -0.262 0.000 0.966 480 L CA 0.924 55.677 54.840 -0.145 0.000 1.651 480 L CB -0.018 41.979 42.059 -0.103 0.000 2.127 480 L HN 0.080 nan 8.230 nan 0.000 0.623 481 K N -0.154 120.092 120.400 -0.257 0.000 2.459 481 K HA 0.707 5.027 4.320 -0.000 0.000 0.193 481 K C 1.007 177.248 176.600 -0.598 0.000 1.030 481 K CA 1.085 57.164 56.287 -0.348 0.000 1.026 481 K CB -0.548 31.848 32.500 -0.172 0.000 0.809 481 K HN 0.484 nan 8.250 nan 0.000 0.504 482 S N 0.604 115.991 115.700 -0.522 0.000 2.825 482 S HA 0.450 4.920 4.470 -0.000 0.000 0.242 482 S C 0.037 174.408 174.600 -0.381 0.000 0.980 482 S CA -0.110 57.812 58.200 -0.463 0.000 1.107 482 S CB 0.248 63.420 63.200 -0.046 0.000 1.172 482 S HN 0.114 nan 8.310 nan 0.000 0.483 483 T N 1.735 115.940 114.554 -0.582 0.000 3.187 483 T HA 0.475 4.825 4.350 -0.000 0.000 0.328 483 T C -1.009 173.662 174.700 -0.048 0.000 0.951 483 T CA -0.431 61.570 62.100 -0.165 0.000 1.049 483 T CB 0.122 69.019 68.868 0.048 0.000 1.015 483 T HN 0.491 nan 8.240 nan 0.000 0.461 484 W N 1.743 123.105 121.300 0.103 0.000 2.594 484 W HA 0.883 5.543 4.660 -0.000 0.000 0.365 484 W C -0.103 176.442 176.519 0.045 0.000 1.196 484 W CA -0.968 56.450 57.345 0.122 0.000 1.258 484 W CB 0.359 29.856 29.460 0.062 0.000 1.405 484 W HN 0.589 nan 8.180 nan 0.000 0.640 485 V N 0.118 120.244 119.914 0.353 0.000 2.851 485 V HA 0.861 4.981 4.120 -0.000 0.000 0.307 485 V C -0.353 175.832 176.094 0.152 0.000 1.129 485 V CA -0.595 61.811 62.300 0.177 0.000 0.932 485 V CB 1.149 33.075 31.823 0.172 0.000 1.024 485 V HN 0.838 nan 8.190 nan 0.000 0.426 486 T N 3.887 118.489 114.554 0.080 0.000 2.918 486 T HA 0.766 5.116 4.350 -0.000 0.000 0.286 486 T C -0.935 173.789 174.700 0.039 0.000 1.026 486 T CA -1.432 60.699 62.100 0.051 0.000 1.031 486 T CB 1.480 70.357 68.868 0.014 0.000 1.046 486 T HN 0.539 nan 8.240 nan 0.000 0.479 487 P HA -0.023 nan 4.420 nan 0.000 0.216 487 P C 0.992 178.301 177.300 0.016 0.000 1.153 487 P CA 1.404 64.520 63.100 0.027 0.000 0.858 487 P CB -0.227 31.486 31.700 0.022 0.000 0.789 488 S N -0.035 115.670 115.700 0.008 0.000 4.139 488 S HA 0.507 4.977 4.470 -0.000 0.000 0.215 488 S C 0.465 175.064 174.600 -0.002 0.000 1.390 488 S CA -0.140 58.061 58.200 0.001 0.000 0.885 488 S CB -1.018 62.179 63.200 -0.004 0.000 1.560 488 S HN 0.333 nan 8.310 nan 0.000 0.449 489 A N 0.479 123.300 122.820 0.001 0.000 2.520 489 A HA 0.804 5.124 4.320 -0.000 0.000 0.298 489 A C 0.699 178.279 177.584 -0.008 0.000 1.051 489 A CA 0.280 52.312 52.037 -0.007 0.000 0.690 489 A CB 0.079 19.074 19.000 -0.008 0.000 1.281 489 A HN 0.718 nan 8.150 nan 0.000 0.402 490 E N 0.981 121.172 120.200 -0.014 0.000 2.049 490 E HA -0.063 4.287 4.350 -0.000 0.000 0.198 490 E C 1.697 178.291 176.600 -0.010 0.000 1.007 490 E CA 2.456 58.848 56.400 -0.012 0.000 0.809 490 E CB -0.606 29.084 29.700 -0.017 0.000 0.749 490 E HN 1.948 nan 8.360 nan 0.000 0.450 491 A N -0.261 122.546 122.820 -0.021 0.000 2.278 491 A HA 0.628 4.948 4.320 -0.000 0.000 0.212 491 A C 2.391 179.976 177.584 0.001 0.000 1.213 491 A CA 1.127 53.153 52.037 -0.018 0.000 0.840 491 A CB -0.202 18.771 19.000 -0.045 0.000 0.866 491 A HN 0.864 nan 8.150 nan 0.000 0.489 492 A N -0.515 122.310 122.820 0.009 0.000 2.168 492 A HA 0.328 4.648 4.320 -0.000 0.000 0.215 492 A C 2.102 179.710 177.584 0.041 0.000 1.152 492 A CA 1.317 53.373 52.037 0.033 0.000 0.716 492 A CB -0.376 18.643 19.000 0.032 0.000 0.794 492 A HN 0.844 nan 8.150 nan 0.000 0.465 493 A N -0.859 121.980 122.820 0.032 0.000 1.984 493 A HA 0.309 4.629 4.320 -0.000 0.000 0.214 493 A C 1.975 179.590 177.584 0.050 0.000 1.173 493 A CA 1.483 53.540 52.037 0.034 0.000 0.673 493 A CB -0.450 18.564 19.000 0.022 0.000 0.830 493 A HN 0.630 nan 8.150 nan 0.000 0.453 494 E N -0.615 119.619 120.200 0.057 0.000 2.371 494 E HA 0.359 4.709 4.350 -0.000 0.000 0.194 494 E C 1.800 178.476 176.600 0.126 0.000 1.012 494 E CA 1.135 57.590 56.400 0.091 0.000 0.860 494 E CB -1.160 28.577 29.700 0.062 0.000 0.811 494 E HN 0.927 nan 8.360 nan 0.000 0.502 495 V N 0.465 120.437 119.914 0.097 0.000 2.500 495 V HA 0.077 4.197 4.120 -0.000 0.000 0.243 495 V C 2.291 178.453 176.094 0.113 0.000 1.039 495 V CA 1.972 64.341 62.300 0.116 0.000 1.053 495 V CB -1.165 30.735 31.823 0.128 0.000 0.695 495 V HN 0.589 nan 8.190 nan 0.000 0.463 496 N N 0.434 119.185 118.700 0.086 0.000 2.515 496 N HA 0.266 5.006 4.740 -0.000 0.000 0.185 496 N C 1.919 177.462 175.510 0.055 0.000 1.109 496 N CA 1.793 54.882 53.050 0.065 0.000 0.903 496 N CB -0.157 38.359 38.487 0.048 0.000 0.969 496 N HN 0.932 nan 8.380 nan 0.000 0.450 497 A N -0.464 122.398 122.820 0.070 0.000 1.855 497 A HA -0.017 4.303 4.320 -0.000 0.000 0.213 497 A C 1.846 179.423 177.584 -0.012 0.000 1.195 497 A CA 1.187 53.240 52.037 0.026 0.000 0.610 497 A CB -0.532 18.490 19.000 0.036 0.000 0.837 497 A HN 0.695 nan 8.150 nan 0.000 0.444 498 H N -0.748 118.330 119.070 0.014 0.000 2.547 498 H HA 0.142 4.698 4.556 -0.000 0.000 0.272 498 H C 1.244 176.575 175.328 0.006 0.000 0.989 498 H CA 0.630 56.684 56.048 0.009 0.000 1.214 498 H CB -0.571 29.196 29.762 0.009 0.000 1.389 498 H HN 0.437 nan 8.280 nan 0.000 0.577 499 L N 0.571 121.857 121.223 0.106 0.000 2.473 499 L HA 0.390 4.730 4.340 -0.000 0.000 0.268 499 L C 1.901 178.789 176.870 0.030 0.000 1.215 499 L CA 0.928 55.803 54.840 0.058 0.000 0.823 499 L CB -0.889 41.201 42.059 0.052 0.000 1.099 499 L HN 0.418 nan 8.230 nan 0.000 0.483 500 T N 0.528 115.094 114.554 0.020 0.000 2.781 500 T HA 0.572 4.921 4.350 -0.000 0.000 0.252 500 T C 1.177 175.881 174.700 0.007 0.000 1.039 500 T CA 1.474 63.580 62.100 0.009 0.000 1.147 500 T CB -0.172 68.699 68.868 0.006 0.000 0.865 500 T HN 1.946 nan 8.240 nan 0.000 0.423 501 A N 1.180 124.006 122.820 0.009 0.000 2.256 501 A HA 0.648 4.968 4.320 -0.000 0.000 0.318 501 A C -2.464 175.128 177.584 0.013 0.000 1.103 501 A CA -1.376 50.666 52.037 0.009 0.000 0.860 501 A CB -0.068 18.937 19.000 0.008 0.000 1.182 501 A HN 0.303 nan 8.150 nan 0.000 0.501 502 P HA 0.359 nan 4.420 nan 0.000 0.271 502 P C -0.170 177.143 177.300 0.022 0.000 1.226 502 P CA 0.033 63.142 63.100 0.016 0.000 0.765 502 P CB 0.204 31.911 31.700 0.013 0.000 0.835 503 L N 1.739 122.979 121.223 0.028 0.000 2.704 503 L HA 0.381 4.721 4.340 -0.000 0.000 0.279 503 L C 1.558 178.448 176.870 0.033 0.000 1.147 503 L CA 0.792 55.654 54.840 0.036 0.000 0.994 503 L CB -1.761 40.327 42.059 0.047 0.000 1.332 503 L HN 0.707 nan 8.230 nan 0.000 0.471 504 S N 2.562 118.281 115.700 0.031 0.000 2.363 504 S HA 0.413 4.883 4.470 -0.000 0.000 0.184 504 S C 1.843 176.461 174.600 0.031 0.000 1.256 504 S CA 2.150 60.366 58.200 0.027 0.000 1.818 504 S CB -0.292 62.922 63.200 0.024 0.000 0.781 504 S HN 1.564 nan 8.310 nan 0.000 0.371 505 R N 0.775 121.296 120.500 0.035 0.000 1.523 505 R HA 0.541 4.881 4.340 -0.000 0.000 0.081 505 R C 0.698 177.030 176.300 0.052 0.000 0.519 505 R CA 1.012 57.133 56.100 0.037 0.000 2.012 505 R CB -1.500 28.821 30.300 0.035 0.000 0.617 505 R HN 0.950 nan 8.270 nan 0.000 0.747 506 E N -1.481 118.757 120.200 0.063 0.000 2.232 506 E HA 0.688 5.037 4.350 -0.000 0.000 0.265 506 E C -0.771 175.918 176.600 0.148 0.000 1.001 506 E CA -0.487 55.973 56.400 0.099 0.000 0.870 506 E CB 2.020 31.766 29.700 0.076 0.000 1.175 506 E HN 0.893 nan 8.360 nan 0.000 0.407 507 A N 0.690 123.641 122.820 0.218 0.000 2.594 507 A HA 0.698 5.018 4.320 -0.000 0.000 0.295 507 A C -0.380 177.401 177.584 0.328 0.000 1.071 507 A CA -0.267 51.908 52.037 0.230 0.000 0.685 507 A CB 1.159 20.238 19.000 0.133 0.000 1.285 507 A HN 0.900 nan 8.150 nan 0.000 0.405 508 S N -0.335 115.475 115.700 0.183 0.000 2.645 508 S HA 0.528 4.998 4.470 -0.000 0.000 0.266 508 S C 1.343 175.886 174.600 -0.096 0.000 1.258 508 S CA -0.104 58.029 58.200 -0.112 0.000 0.990 508 S CB 0.128 63.065 63.200 -0.439 0.000 0.967 508 S HN 2.011 nan 8.310 nan 0.000 0.556 509 G N -0.743 107.959 108.800 -0.164 0.000 2.498 509 G HA2 -0.063 3.896 3.960 -0.000 0.000 0.219 509 G HA3 -0.063 3.896 3.960 -0.000 0.000 0.219 509 G C 0.865 175.529 174.900 -0.394 0.000 1.119 509 G CA 0.826 45.652 45.100 -0.457 0.000 0.766 509 G HN 0.801 nan 8.290 nan 0.000 0.552 510 E N 0.076 120.129 120.200 -0.245 0.000 2.463 510 E HA 0.016 4.366 4.350 -0.000 0.000 0.191 510 E C 0.756 177.275 176.600 -0.136 0.000 1.083 510 E CA 0.051 56.349 56.400 -0.171 0.000 0.872 510 E CB 0.172 29.789 29.700 -0.138 0.000 0.966 510 E HN 0.409 nan 8.360 nan 0.000 0.491 511 D N -1.132 119.176 120.400 -0.154 0.000 2.461 511 D HA -0.015 4.625 4.640 -0.000 0.000 0.266 511 D C 1.923 178.157 176.300 -0.110 0.000 1.085 511 D CA 0.398 54.340 54.000 -0.098 0.000 0.887 511 D CB 0.284 41.058 40.800 -0.044 0.000 1.309 511 D HN 0.206 nan 8.370 nan 0.000 0.498 512 L N 1.175 122.291 121.223 -0.179 0.000 2.465 512 L HA 0.275 4.615 4.340 -0.000 0.000 0.224 512 L C 2.535 179.317 176.870 -0.146 0.000 1.145 512 L CA 1.713 56.453 54.840 -0.166 0.000 0.834 512 L CB -1.902 40.004 42.059 -0.256 0.000 0.944 512 L HN 0.224 nan 8.230 nan 0.000 0.451 513 L N -1.722 119.413 121.223 -0.147 0.000 2.425 513 L HA 0.515 4.855 4.340 -0.000 0.000 0.215 513 L C 2.801 179.619 176.870 -0.086 0.000 1.065 513 L CA 1.231 56.014 54.840 -0.095 0.000 0.842 513 L CB -1.498 40.522 42.059 -0.065 0.000 1.033 513 L HN 0.651 nan 8.230 nan 0.000 0.474 514 R N 0.665 121.110 120.500 -0.092 0.000 2.362 514 R HA 0.551 4.891 4.340 -0.000 0.000 0.204 514 R C 0.959 177.206 176.300 -0.088 0.000 1.088 514 R CA 1.067 57.112 56.100 -0.093 0.000 1.121 514 R CB -1.870 28.386 30.300 -0.075 0.000 0.954 514 R HN 1.299 nan 8.270 nan 0.000 0.478 515 R N 0.550 121.003 120.500 -0.079 0.000 2.533 515 R HA 0.603 4.943 4.340 -0.000 0.000 0.288 515 R C -3.104 173.163 176.300 -0.055 0.000 1.039 515 R CA -1.825 54.237 56.100 -0.063 0.000 0.909 515 R CB 0.235 30.510 30.300 -0.041 0.000 1.195 515 R HN 0.275 nan 8.270 nan 0.000 0.438 516 P HA 0.261 nan 4.420 nan 0.000 0.269 516 P C 1.046 178.336 177.300 -0.016 0.000 1.211 516 P CA 1.785 64.864 63.100 -0.036 0.000 0.781 516 P CB 0.832 32.514 31.700 -0.029 0.000 0.877 517 E N -3.051 117.147 120.200 -0.004 0.000 4.979 517 E HA -0.322 4.028 4.350 -0.000 0.000 0.189 517 E C 0.758 177.365 176.600 0.011 0.000 1.006 517 E CA 1.865 58.270 56.400 0.007 0.000 2.188 517 E CB -2.568 27.137 29.700 0.008 0.000 1.757 517 E HN 0.723 nan 8.360 nan 0.000 0.479 518 M N 2.262 121.861 119.600 -0.002 0.000 2.077 518 M HA 0.679 5.159 4.480 -0.000 0.000 0.348 518 M C 0.692 176.984 176.300 -0.013 0.000 1.252 518 M CA 0.681 55.976 55.300 -0.008 0.000 1.096 518 M CB -0.222 nan 32.600 nan 0.000 1.568 518 M HN 1.450 nan 8.290 nan 0.000 0.456 519 T N -0.736 113.819 114.554 0.001 0.000 2.949 519 T HA 0.550 4.900 4.350 -0.000 0.000 0.287 519 T C 0.766 175.486 174.700 0.033 0.000 1.034 519 T CA -0.271 61.847 62.100 0.030 0.000 1.018 519 T CB 0.737 69.634 68.868 0.049 0.000 1.135 519 T HN 0.683 nan 8.240 nan 0.000 0.532 520 Y N 1.138 121.414 120.300 -0.041 0.000 2.114 520 Y HA -0.036 4.513 4.550 -0.000 0.000 0.284 520 Y C 3.072 178.948 175.900 -0.039 0.000 1.143 520 Y CA 3.057 61.128 58.100 -0.048 0.000 1.135 520 Y CB -0.925 37.514 38.460 -0.036 0.000 0.980 520 Y HN 0.925 nan 8.280 nan 0.000 0.499 521 E N 0.427 120.722 120.200 0.159 0.000 2.118 521 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 521 E C 2.107 178.690 176.600 -0.029 0.000 0.992 521 E CA 2.539 58.983 56.400 0.074 0.000 0.804 521 E CB -1.265 28.482 29.700 0.079 0.000 0.741 521 E HN 0.634 nan 8.360 nan 0.000 0.458 522 K N 0.171 120.549 120.400 -0.037 0.000 2.001 522 K HA 0.248 4.568 4.320 -0.000 0.000 0.208 522 K C 2.398 178.916 176.600 -0.137 0.000 1.048 522 K CA 1.472 57.714 56.287 -0.074 0.000 0.932 522 K CB -1.078 31.406 32.500 -0.027 0.000 0.715 522 K HN 0.519 nan 8.250 nan 0.000 0.437 523 L N 1.964 123.089 121.223 -0.164 0.000 2.042 523 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 523 L C 2.352 179.098 176.870 -0.206 0.000 1.076 523 L CA 3.061 57.776 54.840 -0.208 0.000 0.749 523 L CB -0.845 41.034 42.059 -0.300 0.000 0.893 523 L HN 0.555 nan 8.230 nan 0.000 0.432 524 T N -5.004 109.361 114.554 -0.315 0.000 3.252 524 T HA 0.205 4.555 4.350 -0.000 0.000 0.250 524 T C 1.409 176.035 174.700 -0.125 0.000 1.123 524 T CA 0.783 62.730 62.100 -0.256 0.000 1.006 524 T CB -0.911 67.682 68.868 -0.459 0.000 0.992 524 T HN 0.555 nan 8.240 nan 0.000 0.547 525 T N 0.967 115.455 114.554 -0.111 0.000 3.033 525 T HA 0.586 4.936 4.350 -0.000 0.000 0.248 525 T C 1.220 175.874 174.700 -0.077 0.000 1.040 525 T CA 0.604 62.652 62.100 -0.086 0.000 1.133 525 T CB -0.657 68.151 68.868 -0.100 0.000 0.895 525 T HN 0.693 nan 8.240 nan 0.000 0.465 526 L N 3.773 124.946 121.223 -0.083 0.000 2.584 526 L HA 0.461 4.801 4.340 -0.000 0.000 0.272 526 L C 2.063 178.933 176.870 0.001 0.000 1.195 526 L CA 0.720 55.536 54.840 -0.041 0.000 0.920 526 L CB -1.393 40.669 42.059 0.005 0.000 1.173 526 L HN 0.624 nan 8.230 nan 0.000 0.489 527 T N 0.682 115.216 114.554 -0.035 0.000 2.778 527 T HA -0.104 4.246 4.350 -0.000 0.000 0.269 527 T C 0.124 174.752 174.700 -0.120 0.000 1.050 527 T CA 1.431 63.496 62.100 -0.058 0.000 1.137 527 T CB -1.233 67.604 68.868 -0.052 0.000 0.860 527 T HN 0.816 nan 8.240 nan 0.000 0.468 528 P HA 0.112 nan 4.420 nan 0.000 0.239 528 P C -0.109 176.733 177.300 -0.763 0.000 1.184 528 P CA 0.560 63.367 63.100 -0.488 0.000 0.760 528 P CB -0.293 31.021 31.700 -0.643 0.000 0.884 529 F N -1.603 118.307 119.950 -0.066 0.000 2.859 529 F HA 0.414 4.941 4.527 -0.000 0.000 0.324 529 F C 1.682 177.419 175.800 -0.106 0.000 1.158 529 F CA -0.422 57.523 58.000 -0.092 0.000 1.147 529 F CB -0.378 38.548 39.000 -0.124 0.000 1.137 529 F HN -0.184 nan 8.300 nan 0.000 0.516 530 A N 0.164 123.001 122.820 0.030 0.000 2.259 530 A HA 0.252 4.572 4.320 -0.000 0.000 0.208 530 A C -1.652 175.927 177.584 -0.008 0.000 1.201 530 A CA -0.201 51.834 52.037 -0.004 0.000 0.824 530 A CB -1.407 17.580 19.000 -0.022 0.000 0.838 530 A HN -0.001 nan 8.150 nan 0.000 0.485 531 P HA 0.346 nan 4.420 nan 0.000 0.263 531 P C -0.182 177.129 177.300 0.018 0.000 1.601 531 P CA 0.049 63.154 63.100 0.009 0.000 1.161 531 P CB 0.210 31.918 31.700 0.014 0.000 1.730 532 A N 3.749 126.576 122.820 0.012 0.000 2.488 532 A HA 0.172 4.492 4.320 -0.000 0.000 0.249 532 A C 0.170 177.824 177.584 0.117 0.000 1.083 532 A CA -0.330 51.735 52.037 0.046 0.000 0.768 532 A CB -0.204 18.814 19.000 0.031 0.000 1.017 532 A HN 0.481 nan 8.150 nan 0.000 0.496 533 L N 3.196 124.558 121.223 0.231 0.000 2.462 533 L HA 0.144 4.484 4.340 -0.000 0.000 0.272 533 L C 1.762 178.680 176.870 0.081 0.000 1.166 533 L CA 1.347 56.276 54.840 0.148 0.000 0.880 533 L CB 0.630 42.781 42.059 0.153 0.000 1.142 533 L HN 0.869 nan 8.230 nan 0.000 0.473 534 T N 1.682 116.259 114.554 0.038 0.000 2.951 534 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 534 T C 0.642 175.341 174.700 -0.002 0.000 1.073 534 T CA 0.738 62.848 62.100 0.017 0.000 1.134 534 T CB -0.249 68.623 68.868 0.007 0.000 0.884 534 T HN 0.653 nan 8.240 nan 0.000 0.479 535 D N 1.428 121.818 120.400 -0.015 0.000 2.422 535 D HA 0.087 4.727 4.640 -0.000 0.000 0.227 535 D C 1.186 177.455 176.300 -0.050 0.000 1.190 535 D CA -0.111 53.870 54.000 -0.032 0.000 0.905 535 D CB 0.763 41.537 40.800 -0.043 0.000 1.034 535 D HN 0.393 nan 8.370 nan 0.000 0.507 536 E N 2.601 122.776 120.200 -0.041 0.000 2.085 536 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 536 E C 1.455 178.014 176.600 -0.069 0.000 0.994 536 E CA 1.071 57.438 56.400 -0.055 0.000 0.801 536 E CB 0.193 29.871 29.700 -0.037 0.000 0.743 536 E HN 0.677 nan 8.360 nan 0.000 0.453 537 Q N 0.160 119.937 119.800 -0.038 0.000 2.050 537 Q HA -0.105 4.234 4.340 -0.000 0.000 0.202 537 Q C 2.238 178.214 176.000 -0.039 0.000 0.980 537 Q CA 1.442 57.238 55.803 -0.011 0.000 0.840 537 Q CB -0.158 28.606 28.738 0.044 0.000 0.898 537 Q HN 0.247 nan 8.270 nan 0.000 0.424 538 A N 0.816 123.598 122.820 -0.063 0.000 1.930 538 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 538 A C 2.242 179.734 177.584 -0.153 0.000 1.175 538 A CA 1.513 53.495 52.037 -0.091 0.000 0.627 538 A CB -0.708 18.239 19.000 -0.089 0.000 0.815 538 A HN 0.412 nan 8.150 nan 0.000 0.443 539 A N -0.522 122.165 122.820 -0.221 0.000 1.877 539 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 539 A C 2.164 179.462 177.584 -0.476 0.000 1.186 539 A CA 2.451 54.196 52.037 -0.486 0.000 0.620 539 A CB -1.224 17.447 19.000 -0.549 0.000 0.822 539 A HN 0.801 nan 8.150 nan 0.000 0.443 540 E N -0.931 119.109 120.200 -0.267 0.000 2.273 540 E HA -0.264 4.086 4.350 -0.000 0.000 0.198 540 E C 1.838 178.381 176.600 -0.095 0.000 1.002 540 E CA 1.910 58.219 56.400 -0.153 0.000 0.828 540 E CB -0.577 29.076 29.700 -0.079 0.000 0.747 540 E HN 0.728 nan 8.360 nan 0.000 0.491 541 Q N -0.986 118.756 119.800 -0.097 0.000 2.391 541 Q HA 0.164 4.504 4.340 -0.000 0.000 0.211 541 Q C 2.067 178.039 176.000 -0.047 0.000 0.908 541 Q CA 0.828 56.606 55.803 -0.042 0.000 0.920 541 Q CB 0.322 29.044 28.738 -0.027 0.000 1.056 541 Q HN 0.385 nan 8.270 nan 0.000 0.523 542 V N 0.568 120.416 119.914 -0.110 0.000 2.323 542 V HA -0.207 3.913 4.120 -0.000 0.000 0.244 542 V C 2.125 178.205 176.094 -0.025 0.000 1.041 542 V CA 2.092 64.347 62.300 -0.075 0.000 1.025 542 V CB -0.404 31.358 31.823 -0.101 0.000 0.656 542 V HN 0.478 nan 8.190 nan 0.000 0.451 543 E N 0.144 120.308 120.200 -0.060 0.000 2.033 543 E HA -0.262 4.088 4.350 -0.000 0.000 0.199 543 E C 2.156 178.809 176.600 0.088 0.000 1.011 543 E CA 2.151 58.568 56.400 0.028 0.000 0.815 543 E CB -0.243 29.463 29.700 0.011 0.000 0.755 543 E HN 0.573 nan 8.360 nan 0.000 0.451 544 I N 0.722 121.358 120.570 0.111 0.000 2.264 544 I HA -0.319 3.851 4.170 -0.000 0.000 0.248 544 I C 2.683 178.951 176.117 0.251 0.000 1.111 544 I CA 1.237 62.675 61.300 0.231 0.000 1.382 544 I CB -0.281 37.782 38.000 0.106 0.000 1.060 544 I HN 0.275 nan 8.210 nan 0.000 0.418 545 Q N -0.090 119.782 119.800 0.119 0.000 2.079 545 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 545 Q C 2.418 178.469 176.000 0.085 0.000 0.974 545 Q CA 1.549 57.408 55.803 0.093 0.000 0.840 545 Q CB 0.024 28.786 28.738 0.040 0.000 0.898 545 Q HN 0.422 nan 8.270 nan 0.000 0.430 546 V N 0.981 120.926 119.914 0.051 0.000 2.302 546 V HA -0.181 3.939 4.120 -0.000 0.000 0.243 546 V C 1.863 177.937 176.094 -0.033 0.000 1.036 546 V CA 1.437 63.740 62.300 0.005 0.000 1.020 546 V CB -0.389 31.423 31.823 -0.018 0.000 0.657 546 V HN 0.235 nan 8.190 nan 0.000 0.453 547 K N -0.677 119.675 120.400 -0.079 0.000 2.520 547 K HA -0.126 4.194 4.320 -0.000 0.000 0.197 547 K C 0.071 176.283 176.600 -0.647 0.000 1.043 547 K CA 1.257 57.339 56.287 -0.341 0.000 0.944 547 K CB -0.126 32.124 32.500 -0.418 0.000 0.770 547 K HN 0.601 nan 8.250 nan 0.000 0.480 548 Y N -1.364 118.943 120.300 0.012 0.000 2.614 548 Y HA 0.157 4.707 4.550 -0.000 0.000 0.296 548 Y C 1.082 176.992 175.900 0.016 0.000 0.942 548 Y CA -0.182 57.928 58.100 0.017 0.000 1.111 548 Y CB 0.449 38.923 38.460 0.023 0.000 1.182 548 Y HN 0.058 nan 8.280 nan 0.000 0.624 549 E N 0.348 120.594 120.200 0.077 0.000 2.364 549 E HA 0.494 4.844 4.350 -0.000 0.000 0.203 549 E C 1.446 178.069 176.600 0.037 0.000 0.888 549 E CA 0.492 56.926 56.400 0.057 0.000 0.989 549 E CB -0.344 29.377 29.700 0.035 0.000 0.985 549 E HN 0.576 nan 8.360 nan 0.000 0.499 550 G N 0.000 108.809 108.800 0.015 0.000 5.446 550 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 550 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 550 G CA 0.000 45.106 45.100 0.011 0.000 0.502 550 G HN 0.000 nan 8.290 nan 0.000 0.925