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 3g5q_1_A DATA FIRST_RESID 1 DATA SEQUENCE MERVNVVGAG LAGSEAAWTL LRLGVPVRLF EMRPKRMTPA HGTDRFAEIV DATA SEQUENCE CSNSLGGEGE TNAKGLLQAE MRRAGSLVME AADLARVPAG GALAVDREEF DATA SEQUENCE SGYITERLTG HPLLEVVREE VREIPPGITV LATGPLTSEA LAEALKRRFG DATA SEQUENCE DHFLAYYDAA SPIVLYESID LTKCFRAGRY GQSADYLNCP MTEEEYRRFH DATA SEQUENCE QALLEAQXXX XXXXXXXXXX XXCVPVEELA RRGYQTLLFG PMKPVGLVDP DATA SEQUENCE RTGKEPFAVV QLRQEDKAGR MWSLVGFQTG LKWPEQKRLI QMIPGLENAE DATA SEQUENCE IVRYGVMHRN TYLNAPRLLG ETLEFREAEG LYAAGVLAGV EGYLESAATG DATA SEQUENCE FLAGLNAARK ALGLPPVAPP EESMLGGLVR YLATANPEGF QPMYANWGLV DATA SEQUENCE PPVEGRMGKK EKRQAMYRRG LEAFSAWLSG LNPPLPRP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.299 176.300 -0.002 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.009 0.000 1.302 2 E N 1.358 121.558 120.200 -0.001 0.000 2.222 2 E HA 0.599 4.952 4.350 0.005 0.000 0.267 2 E C -1.099 175.503 176.600 0.003 0.000 0.884 2 E CA -0.608 55.795 56.400 0.006 0.000 0.764 2 E CB 3.140 32.849 29.700 0.014 0.000 1.169 2 E HN 0.380 nan 8.360 nan 0.000 0.413 3 R N 3.057 123.562 120.500 0.008 0.000 2.347 3 R HA 0.233 4.575 4.340 0.005 0.000 0.304 3 R C -0.971 175.341 176.300 0.020 0.000 1.072 3 R CA -0.323 55.780 56.100 0.005 0.000 0.980 3 R CB 0.687 30.989 30.300 0.005 0.000 0.986 3 R HN 0.245 nan 8.270 nan 0.000 0.448 4 V N 5.339 125.259 119.914 0.010 0.000 2.509 4 V HA 0.139 4.262 4.120 0.005 0.000 0.284 4 V C 0.062 176.191 176.094 0.058 0.000 1.047 4 V CA -0.769 61.550 62.300 0.031 0.000 0.952 4 V CB 1.454 33.276 31.823 -0.001 0.000 0.988 4 V HN 0.821 nan 8.190 nan 0.000 0.469 5 N N 3.285 122.054 118.700 0.115 0.000 2.514 5 N HA 0.379 5.121 4.740 0.005 0.000 0.277 5 N C -0.779 174.830 175.510 0.165 0.000 1.126 5 N CA -0.179 52.993 53.050 0.203 0.000 0.978 5 N CB 2.009 40.659 38.487 0.272 0.000 1.106 5 N HN 0.376 nan 8.380 nan 0.000 0.461 6 V N 2.318 122.345 119.914 0.188 0.000 2.443 6 V HA 0.228 4.351 4.120 0.005 0.000 0.293 6 V C -0.107 176.110 176.094 0.204 0.000 1.021 6 V CA -0.832 61.549 62.300 0.135 0.000 0.848 6 V CB 1.907 33.760 31.823 0.049 0.000 0.998 6 V HN 0.310 nan 8.190 nan 0.000 0.424 7 V N 4.076 124.085 119.914 0.158 0.000 2.318 7 V HA 0.878 5.001 4.120 0.005 0.000 0.271 7 V C 0.628 176.778 176.094 0.094 0.000 1.030 7 V CA 0.274 62.657 62.300 0.139 0.000 0.844 7 V CB 0.672 32.510 31.823 0.025 0.000 1.015 7 V HN 1.277 nan 8.190 nan 0.000 0.460 8 G N 4.090 112.940 108.800 0.083 0.000 3.367 8 G HA2 0.317 4.280 3.960 0.005 0.000 0.686 8 G HA3 0.317 4.280 3.960 0.005 0.000 0.686 8 G C -0.280 174.612 174.900 -0.014 0.000 1.146 8 G CA -0.332 44.794 45.100 0.042 0.000 0.913 8 G HN 1.419 nan 8.290 nan 0.000 0.554 9 A N 1.745 124.527 122.820 -0.063 0.000 3.106 9 A HA 0.800 5.123 4.320 0.005 0.000 0.306 9 A C 1.305 178.892 177.584 0.006 0.000 1.192 9 A CA 1.077 53.003 52.037 -0.184 0.000 0.994 9 A CB -0.200 18.432 19.000 -0.614 0.000 1.107 9 A HN 2.039 nan 8.150 nan 0.000 0.585 10 G N -0.676 108.171 108.800 0.077 0.000 2.714 10 G HA2 0.394 4.357 3.960 0.005 0.000 0.197 10 G HA3 0.394 4.357 3.960 0.005 0.000 0.197 10 G C 0.971 175.974 174.900 0.172 0.000 1.449 10 G CA -0.348 44.857 45.100 0.175 0.000 1.065 10 G HN 0.105 nan 8.290 nan 0.000 0.575 11 L N 0.281 121.634 121.223 0.218 0.000 1.989 11 L HA -0.099 4.243 4.340 0.005 0.000 0.211 11 L C 3.327 180.302 176.870 0.176 0.000 1.071 11 L CA 2.496 57.470 54.840 0.222 0.000 0.749 11 L CB -1.500 40.723 42.059 0.274 0.000 0.890 11 L HN 0.547 nan 8.230 nan 0.000 0.431 12 A N -0.401 122.518 122.820 0.164 0.000 1.872 12 A HA -0.037 4.285 4.320 0.005 0.000 0.214 12 A C 2.399 180.054 177.584 0.119 0.000 1.187 12 A CA 1.459 53.584 52.037 0.147 0.000 0.614 12 A CB -1.111 17.974 19.000 0.140 0.000 0.826 12 A HN 0.438 nan 8.150 nan 0.000 0.442 13 G N -0.654 108.201 108.800 0.091 0.000 2.418 13 G HA2 -0.142 3.821 3.960 0.005 0.000 0.217 13 G HA3 -0.142 3.821 3.960 0.005 0.000 0.217 13 G C 1.805 176.715 174.900 0.017 0.000 1.158 13 G CA 1.334 46.461 45.100 0.046 0.000 0.771 13 G HN 0.473 nan 8.290 nan 0.000 0.545 14 S N 0.345 116.057 115.700 0.020 0.000 2.368 14 S HA -0.086 4.386 4.470 0.005 0.000 0.225 14 S C 2.186 176.848 174.600 0.103 0.000 1.030 14 S CA 1.543 59.751 58.200 0.014 0.000 0.999 14 S CB -0.149 63.066 63.200 0.025 0.000 0.844 14 S HN 0.482 nan 8.310 nan 0.000 0.459 15 E N 1.605 121.888 120.200 0.139 0.000 2.107 15 E HA 0.053 4.406 4.350 0.005 0.000 0.191 15 E C 1.983 178.729 176.600 0.243 0.000 0.982 15 E CA 1.042 57.576 56.400 0.223 0.000 0.809 15 E CB -0.430 29.409 29.700 0.233 0.000 0.756 15 E HN 0.383 nan 8.360 nan 0.000 0.459 16 A N 1.046 123.959 122.820 0.156 0.000 1.865 16 A HA -0.127 4.195 4.320 0.005 0.000 0.217 16 A C 2.485 180.108 177.584 0.065 0.000 1.191 16 A CA 2.349 54.439 52.037 0.088 0.000 0.623 16 A CB -1.304 17.724 19.000 0.047 0.000 0.826 16 A HN 0.382 nan 8.150 nan 0.000 0.444 17 A N -1.419 121.439 122.820 0.063 0.000 1.873 17 A HA -0.260 4.062 4.320 0.005 0.000 0.218 17 A C 2.184 179.818 177.584 0.082 0.000 1.193 17 A CA 1.605 53.663 52.037 0.035 0.000 0.629 17 A CB -1.161 17.843 19.000 0.008 0.000 0.826 17 A HN 0.857 nan 8.150 nan 0.000 0.447 18 W N 0.818 122.096 121.300 -0.038 0.000 2.338 18 W HA -0.186 4.477 4.660 0.005 0.000 0.304 18 W C 1.912 178.430 176.519 -0.002 0.000 1.212 18 W CA 2.109 59.441 57.345 -0.021 0.000 1.264 18 W CB -0.361 29.119 29.460 0.034 0.000 1.142 18 W HN 0.391 nan 8.180 nan 0.000 0.512 19 T N 1.735 116.357 114.554 0.114 0.000 2.777 19 T HA -0.184 4.168 4.350 0.005 0.000 0.266 19 T C 1.908 176.536 174.700 -0.121 0.000 1.040 19 T CA 1.561 63.673 62.100 0.021 0.000 1.141 19 T CB -0.594 68.329 68.868 0.092 0.000 0.868 19 T HN 0.078 nan 8.240 nan 0.000 0.444 20 L N 0.489 121.640 121.223 -0.121 0.000 2.012 20 L HA -0.087 4.256 4.340 0.005 0.000 0.210 20 L C 2.454 179.196 176.870 -0.213 0.000 1.073 20 L CA 1.310 56.059 54.840 -0.151 0.000 0.748 20 L CB -0.626 41.359 42.059 -0.123 0.000 0.891 20 L HN 0.242 nan 8.230 nan 0.000 0.431 21 L N -0.924 120.111 121.223 -0.313 0.000 2.046 21 L HA -0.217 4.126 4.340 0.005 0.000 0.208 21 L C 2.733 179.346 176.870 -0.429 0.000 1.077 21 L CA 1.258 55.807 54.840 -0.486 0.000 0.747 21 L CB -0.548 41.004 42.059 -0.844 0.000 0.896 21 L HN 0.178 nan 8.230 nan 0.000 0.432 22 R N 0.044 120.249 120.500 -0.491 0.000 2.159 22 R HA -0.105 4.237 4.340 0.005 0.000 0.237 22 R C 1.630 177.813 176.300 -0.195 0.000 1.131 22 R CA 0.995 56.874 56.100 -0.368 0.000 0.982 22 R CB -0.218 29.880 30.300 -0.336 0.000 0.868 22 R HN 0.362 nan 8.270 nan 0.000 0.453 23 L N -0.515 120.604 121.223 -0.173 0.000 2.741 23 L HA 0.266 4.609 4.340 0.005 0.000 0.237 23 L C 0.878 177.688 176.870 -0.101 0.000 1.178 23 L CA 0.013 54.782 54.840 -0.119 0.000 0.973 23 L CB 0.647 42.638 42.059 -0.112 0.000 1.255 23 L HN 0.355 nan 8.230 nan 0.000 0.498 24 G N 0.413 109.148 108.800 -0.108 0.000 2.153 24 G HA2 -0.251 3.712 3.960 0.005 0.000 0.252 24 G HA3 -0.251 3.712 3.960 0.005 0.000 0.252 24 G C 0.141 175.000 174.900 -0.069 0.000 0.994 24 G CA 0.161 45.219 45.100 -0.070 0.000 0.698 24 G HN 0.155 nan 8.290 nan 0.000 0.521 25 V N 1.786 121.642 119.914 -0.097 0.000 2.407 25 V HA 0.459 4.582 4.120 0.005 0.000 0.278 25 V C -1.511 174.528 176.094 -0.091 0.000 1.037 25 V CA -1.667 60.584 62.300 -0.081 0.000 0.900 25 V CB 1.635 33.408 31.823 -0.083 0.000 0.983 25 V HN 0.130 nan 8.190 nan 0.000 0.459 26 P HA 0.289 nan 4.420 nan 0.000 0.271 26 P C -0.864 176.402 177.300 -0.056 0.000 1.218 26 P CA -0.081 62.987 63.100 -0.053 0.000 0.780 26 P CB 0.849 32.534 31.700 -0.025 0.000 0.901 27 V N 3.296 123.171 119.914 -0.064 0.000 2.735 27 V HA 0.471 4.594 4.120 0.005 0.000 0.310 27 V C 0.166 176.221 176.094 -0.066 0.000 1.061 27 V CA -0.735 61.530 62.300 -0.058 0.000 0.913 27 V CB 2.151 33.929 31.823 -0.075 0.000 1.005 27 V HN 0.439 nan 8.190 nan 0.000 0.428 28 R N 3.384 123.845 120.500 -0.065 0.000 2.275 28 R HA 0.569 4.911 4.340 0.005 0.000 0.326 28 R C -1.505 174.665 176.300 -0.217 0.000 0.973 28 R CA -0.671 55.327 56.100 -0.171 0.000 0.854 28 R CB 1.058 31.259 30.300 -0.165 0.000 1.156 28 R HN 0.577 nan 8.270 nan 0.000 0.487 29 L N 5.988 127.054 121.223 -0.261 0.000 2.262 29 L HA 0.434 4.777 4.340 0.005 0.000 0.288 29 L C -1.483 175.230 176.870 -0.262 0.000 1.035 29 L CA -0.085 54.639 54.840 -0.192 0.000 0.820 29 L CB 0.568 42.499 42.059 -0.212 0.000 1.204 29 L HN 0.455 nan 8.230 nan 0.000 0.424 30 F N 3.622 123.544 119.950 -0.047 0.000 2.404 30 F HA 0.564 5.094 4.527 0.004 0.000 0.345 30 F C 0.362 176.141 175.800 -0.035 0.000 1.110 30 F CA -0.328 57.660 58.000 -0.021 0.000 1.130 30 F CB 1.294 40.292 39.000 -0.004 0.000 1.129 30 F HN 0.469 nan 8.300 nan 0.000 0.500 31 E N 3.659 123.951 120.200 0.152 0.000 2.274 31 E HA 0.241 4.594 4.350 0.005 0.000 0.269 31 E C 0.103 176.772 176.600 0.115 0.000 0.891 31 E CA -0.568 55.897 56.400 0.109 0.000 0.784 31 E CB 1.272 31.037 29.700 0.109 0.000 1.225 31 E HN 0.634 nan 8.360 nan 0.000 0.412 32 M N 2.025 121.675 119.600 0.083 0.000 2.394 32 M HA 0.221 4.704 4.480 0.005 0.000 0.264 32 M C 0.322 176.654 176.300 0.053 0.000 1.073 32 M CA 0.596 55.938 55.300 0.068 0.000 1.111 32 M CB 0.121 32.750 32.600 0.048 0.000 1.401 32 M HN 0.125 nan 8.290 nan 0.000 0.448 33 R N 2.239 122.764 120.500 0.040 0.000 2.491 33 R HA 0.170 4.512 4.340 0.005 0.000 0.283 33 R C -1.909 174.429 176.300 0.064 0.000 1.072 33 R CA -1.327 54.796 56.100 0.038 0.000 1.048 33 R CB 0.121 30.428 30.300 0.011 0.000 0.983 33 R HN 0.127 nan 8.270 nan 0.000 0.450 34 P HA 0.120 nan 4.420 nan 0.000 0.267 34 P C 0.178 177.502 177.300 0.039 0.000 1.289 34 P CA 0.201 63.326 63.100 0.042 0.000 0.866 34 P CB 0.376 32.098 31.700 0.037 0.000 1.309 35 K N 0.006 120.431 120.400 0.042 0.000 2.074 35 K HA -0.099 4.223 4.320 0.005 0.000 0.209 35 K C 1.135 177.757 176.600 0.036 0.000 1.048 35 K CA 1.080 57.390 56.287 0.039 0.000 0.926 35 K CB 0.062 32.589 32.500 0.044 0.000 0.713 35 K HN 0.068 nan 8.250 nan 0.000 0.444 36 R N 0.341 120.863 120.500 0.036 0.000 2.532 36 R HA 0.214 4.557 4.340 0.005 0.000 0.297 36 R C -1.017 175.301 176.300 0.031 0.000 0.984 36 R CA -0.495 55.625 56.100 0.033 0.000 0.884 36 R CB 1.021 31.340 30.300 0.032 0.000 1.182 36 R HN -0.076 nan 8.270 nan 0.000 0.442 37 M N 2.146 121.770 119.600 0.039 0.000 2.409 37 M HA 0.238 4.721 4.480 0.005 0.000 0.329 37 M C 0.644 176.982 176.300 0.063 0.000 1.180 37 M CA -0.521 54.810 55.300 0.052 0.000 1.053 37 M CB 1.417 34.059 32.600 0.070 0.000 1.586 37 M HN 0.710 nan 8.290 nan 0.000 0.461 38 T N -1.517 113.094 114.554 0.095 0.000 2.874 38 T HA 0.412 4.765 4.350 0.005 0.000 0.281 38 T C -2.005 172.780 174.700 0.142 0.000 0.994 38 T CA -1.456 60.725 62.100 0.135 0.000 1.015 38 T CB 0.665 69.677 68.868 0.241 0.000 1.028 38 T HN 0.387 nan 8.240 nan 0.000 0.523 39 P HA 0.130 nan 4.420 nan 0.000 0.226 39 P C 0.773 178.126 177.300 0.089 0.000 1.146 39 P CA 0.687 63.839 63.100 0.087 0.000 0.773 39 P CB -0.091 31.651 31.700 0.070 0.000 0.772 40 A N -2.777 120.113 122.820 0.117 0.000 2.287 40 A HA 0.138 4.461 4.320 0.005 0.000 0.214 40 A C 0.373 177.950 177.584 -0.011 0.000 1.228 40 A CA 0.073 52.137 52.037 0.045 0.000 0.939 40 A CB -0.521 18.487 19.000 0.013 0.000 0.992 40 A HN 0.164 nan 8.150 nan 0.000 0.502 41 H N -1.478 117.631 119.070 0.065 0.000 2.511 41 H HA 0.503 5.062 4.556 0.005 0.000 0.346 41 H C 1.220 176.581 175.328 0.054 0.000 1.128 41 H CA 0.967 57.055 56.048 0.067 0.000 1.342 41 H CB 1.525 31.333 29.762 0.077 0.000 1.470 41 H HN 0.146 nan 8.280 nan 0.000 0.546 42 G N 0.953 109.844 108.800 0.153 0.000 3.342 42 G HA2 0.101 4.064 3.960 0.005 0.000 0.252 42 G HA3 0.101 4.064 3.960 0.005 0.000 0.252 42 G C 0.162 175.118 174.900 0.093 0.000 1.011 42 G CA 0.474 45.634 45.100 0.100 0.000 0.869 42 G HN 0.716 nan 8.290 nan 0.000 0.514 43 T N -2.132 112.497 114.554 0.124 0.000 2.742 43 T HA 0.482 4.835 4.350 0.005 0.000 0.282 43 T C -0.188 174.569 174.700 0.094 0.000 1.025 43 T CA 0.238 62.392 62.100 0.090 0.000 1.020 43 T CB 2.175 71.089 68.868 0.075 0.000 1.317 43 T HN -0.092 nan 8.240 nan 0.000 0.538 44 D N -1.201 119.231 120.400 0.053 0.000 2.440 44 D HA 0.149 4.792 4.640 0.005 0.000 0.216 44 D C 0.250 176.560 176.300 0.018 0.000 1.150 44 D CA -0.513 53.514 54.000 0.045 0.000 0.832 44 D CB 0.061 40.870 40.800 0.015 0.000 0.992 44 D HN 0.286 nan 8.370 nan 0.000 0.502 45 R N 0.691 121.205 120.500 0.023 0.000 2.490 45 R HA 0.236 4.578 4.340 0.005 0.000 0.280 45 R C -0.008 176.388 176.300 0.161 0.000 1.077 45 R CA -0.447 55.633 56.100 -0.032 0.000 1.065 45 R CB 0.257 30.555 30.300 -0.002 0.000 1.003 45 R HN 0.012 nan 8.270 nan 0.000 0.470 46 F N 0.645 120.608 119.950 0.022 0.000 2.471 46 F HA 0.120 4.650 4.527 0.004 0.000 0.353 46 F C 1.426 177.249 175.800 0.038 0.000 1.113 46 F CA -0.500 57.515 58.000 0.025 0.000 1.262 46 F CB -0.214 38.778 39.000 -0.012 0.000 1.146 46 F HN 0.778 nan 8.300 nan 0.000 0.578 47 A N 1.611 124.601 122.820 0.282 0.000 2.872 47 A HA -0.284 4.038 4.320 0.005 0.000 0.273 47 A C 0.666 178.421 177.584 0.283 0.000 1.442 47 A CA 0.847 53.032 52.037 0.245 0.000 0.801 47 A CB -2.553 16.525 19.000 0.130 0.000 1.031 47 A HN 0.796 nan 8.150 nan 0.000 0.582 48 E N 0.165 120.529 120.200 0.273 0.000 2.465 48 E HA 0.215 4.567 4.350 0.005 0.000 0.260 48 E C 0.037 176.711 176.600 0.123 0.000 0.980 48 E CA -0.291 56.238 56.400 0.215 0.000 0.927 48 E CB 0.216 30.074 29.700 0.263 0.000 0.934 48 E HN 0.418 nan 8.360 nan 0.000 0.459 49 I N 7.132 127.706 120.570 0.007 0.000 2.301 49 I HA -0.038 4.135 4.170 0.005 0.000 0.292 49 I C 1.249 177.309 176.117 -0.094 0.000 1.046 49 I CA -0.054 61.129 61.300 -0.196 0.000 1.282 49 I CB 0.768 38.499 38.000 -0.448 0.000 1.409 49 I HN 0.546 nan 8.210 nan 0.000 0.484 50 V N 3.672 123.570 119.914 -0.027 0.000 3.306 50 V HA 0.051 4.174 4.120 0.005 0.000 0.264 50 V C 0.938 177.033 176.094 0.001 0.000 1.149 50 V CA 0.650 62.907 62.300 -0.071 0.000 1.143 50 V CB 0.043 31.751 31.823 -0.191 0.000 0.767 50 V HN 0.826 nan 8.190 nan 0.000 0.476 51 C N -0.853 118.496 119.300 0.081 0.000 4.239 51 C HA 0.534 4.997 4.460 0.005 0.000 0.179 51 C C 1.357 176.383 174.990 0.059 0.000 3.668 51 C CA 0.613 59.666 59.018 0.060 0.000 1.689 51 C CB 0.797 28.566 27.740 0.049 0.000 4.158 51 C HN 0.572 nan 8.230 nan 0.000 0.461 52 S N 2.313 118.058 115.700 0.074 0.000 2.558 52 S HA 0.032 4.504 4.470 0.005 0.000 0.291 52 S C 0.784 175.414 174.600 0.051 0.000 1.306 52 S CA 0.711 58.935 58.200 0.041 0.000 1.056 52 S CB 0.174 63.378 63.200 0.005 0.000 0.836 52 S HN 0.776 nan 8.310 nan 0.000 0.504 53 N N 2.628 121.299 118.700 -0.048 0.000 2.314 53 N HA 0.038 4.781 4.740 0.005 0.000 0.200 53 N C -0.084 175.348 175.510 -0.130 0.000 1.135 53 N CA -0.166 52.798 53.050 -0.142 0.000 0.835 53 N CB -0.033 38.370 38.487 -0.140 0.000 0.989 53 N HN 0.279 nan 8.380 nan 0.000 0.478 54 S N 0.455 116.135 115.700 -0.034 0.000 2.499 54 S HA 0.375 4.848 4.470 0.005 0.000 0.279 54 S C 0.854 175.477 174.600 0.037 0.000 1.219 54 S CA -0.767 57.414 58.200 -0.031 0.000 1.062 54 S CB 0.464 63.639 63.200 -0.042 0.000 0.978 54 S HN 0.270 nan 8.310 nan 0.000 0.489 55 L N 4.451 125.667 121.223 -0.011 0.000 2.611 55 L HA 0.376 4.718 4.340 0.005 0.000 0.229 55 L C 1.219 178.092 176.870 0.004 0.000 1.137 55 L CA 0.140 55.000 54.840 0.034 0.000 0.901 55 L CB -1.189 40.860 42.059 -0.016 0.000 1.098 55 L HN 0.966 nan 8.230 nan 0.000 0.456 56 G N -0.405 108.382 108.800 -0.022 0.000 2.541 56 G HA2 -0.031 3.932 3.960 0.005 0.000 0.686 56 G HA3 -0.031 3.932 3.960 0.005 0.000 0.686 56 G C -0.091 174.798 174.900 -0.019 0.000 1.286 56 G CA -0.746 44.333 45.100 -0.036 0.000 0.894 56 G HN 0.235 nan 8.290 nan 0.000 0.575 57 G N -0.844 107.951 108.800 -0.009 0.000 2.441 57 G HA2 0.529 4.492 3.960 0.005 0.000 0.243 57 G HA3 0.529 4.492 3.960 0.005 0.000 0.243 57 G C 0.840 175.760 174.900 0.033 0.000 1.281 57 G CA 0.767 45.875 45.100 0.013 0.000 0.854 57 G HN 1.350 nan 8.290 nan 0.000 0.560 58 E N 1.358 121.580 120.200 0.037 0.000 2.498 58 E HA 0.221 4.573 4.350 0.005 0.000 0.203 58 E C 1.180 177.821 176.600 0.070 0.000 1.013 58 E CA -0.179 56.257 56.400 0.061 0.000 0.927 58 E CB 0.282 30.008 29.700 0.042 0.000 1.012 58 E HN 0.497 nan 8.360 nan 0.000 0.482 59 G N 1.311 110.137 108.800 0.043 0.000 2.664 59 G HA2 -0.064 3.899 3.960 0.005 0.000 0.242 59 G HA3 -0.064 3.899 3.960 0.005 0.000 0.242 59 G C 0.133 174.994 174.900 -0.064 0.000 1.225 59 G CA -0.496 44.597 45.100 -0.010 0.000 0.849 59 G HN 0.239 nan 8.290 nan 0.000 0.581 60 E N -0.677 119.350 120.200 -0.288 0.000 2.494 60 E HA -0.031 4.322 4.350 0.005 0.000 0.193 60 E C 1.592 178.089 176.600 -0.173 0.000 1.074 60 E CA 0.813 56.770 56.400 -0.740 0.000 0.867 60 E CB 0.142 29.313 29.700 -0.882 0.000 0.924 60 E HN 0.575 nan 8.360 nan 0.000 0.502 61 T N -2.546 112.052 114.554 0.072 0.000 3.084 61 T HA 0.081 4.434 4.350 0.005 0.000 0.270 61 T C 0.365 175.403 174.700 0.563 0.000 1.008 61 T CA -0.554 61.682 62.100 0.227 0.000 0.900 61 T CB 0.148 69.069 68.868 0.088 0.000 1.084 61 T HN -0.129 nan 8.240 nan 0.000 0.538 62 N N 0.965 119.951 118.700 0.477 0.000 2.419 62 N HA 0.527 5.269 4.740 0.005 0.000 0.277 62 N C 1.209 176.802 175.510 0.138 0.000 1.006 62 N CA 0.139 53.383 53.050 0.324 0.000 0.923 62 N CB 1.869 40.454 38.487 0.163 0.000 1.140 62 N HN 0.215 nan 8.380 nan 0.000 0.488 63 A N 4.606 127.154 122.820 -0.453 0.000 1.933 63 A HA -0.110 4.213 4.320 0.005 0.000 0.218 63 A C 1.929 179.256 177.584 -0.428 0.000 1.175 63 A CA 1.298 52.712 52.037 -1.038 0.000 0.628 63 A CB -0.135 18.088 19.000 -1.293 0.000 0.814 63 A HN 0.770 nan 8.150 nan 0.000 0.444 64 K N -0.796 119.475 120.400 -0.216 0.000 2.148 64 K HA -0.072 4.250 4.320 0.005 0.000 0.204 64 K C 2.085 178.656 176.600 -0.048 0.000 1.050 64 K CA 0.859 57.079 56.287 -0.112 0.000 0.942 64 K CB -0.340 32.119 32.500 -0.067 0.000 0.724 64 K HN 0.480 nan 8.250 nan 0.000 0.446 65 G N 1.622 110.443 108.800 0.035 0.000 2.418 65 G HA2 -0.241 3.722 3.960 0.005 0.000 0.217 65 G HA3 -0.241 3.722 3.960 0.005 0.000 0.217 65 G C 1.408 176.420 174.900 0.186 0.000 1.158 65 G CA 0.458 45.658 45.100 0.167 0.000 0.771 65 G HN 0.178 nan 8.290 nan 0.000 0.545 66 L N 0.101 121.363 121.223 0.064 0.000 2.093 66 L HA 0.126 4.469 4.340 0.005 0.000 0.208 66 L C 2.449 179.149 176.870 -0.283 0.000 1.085 66 L CA 1.438 56.097 54.840 -0.302 0.000 0.755 66 L CB -0.576 41.314 42.059 -0.282 0.000 0.904 66 L HN 0.175 nan 8.230 nan 0.000 0.435 67 L N -0.485 120.605 121.223 -0.223 0.000 2.056 67 L HA -0.187 4.156 4.340 0.005 0.000 0.207 67 L C 2.496 179.256 176.870 -0.183 0.000 1.078 67 L CA 1.693 56.393 54.840 -0.234 0.000 0.749 67 L CB -0.721 41.230 42.059 -0.179 0.000 0.901 67 L HN 0.433 nan 8.230 nan 0.000 0.433 68 Q N -0.569 119.173 119.800 -0.097 0.000 2.077 68 Q HA -0.243 4.099 4.340 0.005 0.000 0.206 68 Q C 2.262 178.227 176.000 -0.058 0.000 0.989 68 Q CA 1.984 57.757 55.803 -0.049 0.000 0.853 68 Q CB -0.496 28.244 28.738 0.005 0.000 0.907 68 Q HN 0.683 nan 8.270 nan 0.000 0.418 69 A N 1.221 124.004 122.820 -0.060 0.000 1.902 69 A HA -0.250 4.073 4.320 0.005 0.000 0.217 69 A C 1.856 179.380 177.584 -0.099 0.000 1.181 69 A CA 1.664 53.674 52.037 -0.046 0.000 0.623 69 A CB -0.457 18.517 19.000 -0.043 0.000 0.818 69 A HN 0.374 nan 8.150 nan 0.000 0.443 70 E N -0.817 119.229 120.200 -0.256 0.000 2.051 70 E HA -0.177 4.176 4.350 0.005 0.000 0.192 70 E C 2.030 178.470 176.600 -0.267 0.000 0.991 70 E CA 1.371 57.499 56.400 -0.452 0.000 0.799 70 E CB -0.243 28.751 29.700 -1.176 0.000 0.748 70 E HN 0.458 nan 8.360 nan 0.000 0.449 71 M N 0.186 119.639 119.600 -0.245 0.000 2.229 71 M HA -0.082 4.401 4.480 0.005 0.000 0.264 71 M C 2.208 178.472 176.300 -0.059 0.000 1.063 71 M CA 1.211 56.413 55.300 -0.163 0.000 1.114 71 M CB -0.647 31.881 32.600 -0.120 0.000 1.387 71 M HN 0.033 nan 8.290 nan 0.000 0.420 72 R N -0.000 120.486 120.500 -0.023 0.000 2.066 72 R HA -0.166 4.177 4.340 0.005 0.000 0.232 72 R C 2.288 178.619 176.300 0.052 0.000 1.131 72 R CA 1.530 57.643 56.100 0.022 0.000 0.955 72 R CB -0.094 30.224 30.300 0.029 0.000 0.851 72 R HN 0.057 nan 8.270 nan 0.000 0.432 73 R N 0.380 120.926 120.500 0.077 0.000 2.127 73 R HA -0.058 4.285 4.340 0.005 0.000 0.238 73 R C 1.673 178.053 176.300 0.133 0.000 1.134 73 R CA 1.793 57.970 56.100 0.128 0.000 0.975 73 R CB -0.459 29.964 30.300 0.204 0.000 0.865 73 R HN 0.329 nan 8.270 nan 0.000 0.447 74 A N -0.932 121.963 122.820 0.125 0.000 2.206 74 A HA 0.251 4.574 4.320 0.005 0.000 0.211 74 A C 1.310 178.915 177.584 0.036 0.000 1.158 74 A CA 0.705 52.767 52.037 0.041 0.000 0.761 74 A CB -0.575 18.291 19.000 -0.224 0.000 0.801 74 A HN 0.518 nan 8.150 nan 0.000 0.473 75 G N 0.034 108.875 108.800 0.067 0.000 2.198 75 G HA2 -0.212 3.751 3.960 0.005 0.000 0.257 75 G HA3 -0.212 3.751 3.960 0.005 0.000 0.257 75 G C 0.352 175.355 174.900 0.172 0.000 1.042 75 G CA 0.712 45.886 45.100 0.123 0.000 0.791 75 G HN 1.488 nan 8.290 nan 0.000 0.502 76 S N -0.904 114.851 115.700 0.091 0.000 2.552 76 S HA 0.271 4.744 4.470 0.005 0.000 0.289 76 S C 1.746 176.412 174.600 0.109 0.000 1.304 76 S CA 0.316 58.584 58.200 0.114 0.000 1.063 76 S CB 0.779 63.992 63.200 0.022 0.000 0.848 76 S HN 1.299 nan 8.310 nan 0.000 0.499 77 L N 6.563 127.827 121.223 0.067 0.000 2.046 77 L HA 0.019 4.362 4.340 0.005 0.000 0.208 77 L C 2.291 179.089 176.870 -0.120 0.000 1.077 77 L CA 1.717 56.417 54.840 -0.232 0.000 0.747 77 L CB -0.884 40.717 42.059 -0.764 0.000 0.896 77 L HN 0.691 nan 8.230 nan 0.000 0.432 78 V N -0.433 119.465 119.914 -0.026 0.000 2.343 78 V HA -0.309 3.814 4.120 0.005 0.000 0.247 78 V C 2.594 178.767 176.094 0.131 0.000 1.051 78 V CA 1.881 64.216 62.300 0.058 0.000 1.036 78 V CB -0.543 31.384 31.823 0.174 0.000 0.654 78 V HN 0.426 nan 8.190 nan 0.000 0.451 79 M N -0.762 118.887 119.600 0.081 0.000 2.254 79 M HA -0.115 4.368 4.480 0.005 0.000 0.265 79 M C 2.127 178.446 176.300 0.032 0.000 1.066 79 M CA 1.435 56.775 55.300 0.066 0.000 1.123 79 M CB -1.142 31.481 32.600 0.039 0.000 1.388 79 M HN 0.500 nan 8.290 nan 0.000 0.425 80 E N 0.367 120.572 120.200 0.008 0.000 2.051 80 E HA -0.151 4.202 4.350 0.005 0.000 0.192 80 E C 1.995 178.496 176.600 -0.165 0.000 0.991 80 E CA 1.421 57.799 56.400 -0.037 0.000 0.799 80 E CB 0.101 29.814 29.700 0.022 0.000 0.748 80 E HN 0.410 nan 8.360 nan 0.000 0.449 81 A N 1.138 123.861 122.820 -0.160 0.000 1.902 81 A HA -0.113 4.210 4.320 0.005 0.000 0.217 81 A C 2.383 179.957 177.584 -0.017 0.000 1.181 81 A CA 1.870 53.743 52.037 -0.275 0.000 0.623 81 A CB -0.782 18.017 19.000 -0.334 0.000 0.818 81 A HN 0.425 nan 8.150 nan 0.000 0.443 82 A N 0.018 122.940 122.820 0.169 0.000 1.898 82 A HA -0.165 4.158 4.320 0.005 0.000 0.216 82 A C 1.766 179.368 177.584 0.029 0.000 1.181 82 A CA 1.824 53.968 52.037 0.178 0.000 0.620 82 A CB -0.568 18.516 19.000 0.139 0.000 0.819 82 A HN 0.455 nan 8.150 nan 0.000 0.442 83 D N 0.141 120.534 120.400 -0.011 0.000 2.144 83 D HA -0.108 4.534 4.640 0.005 0.000 0.199 83 D C 1.933 178.192 176.300 -0.069 0.000 0.984 83 D CA 1.020 54.999 54.000 -0.035 0.000 0.834 83 D CB -0.320 40.463 40.800 -0.029 0.000 0.955 83 D HN 0.468 nan 8.370 nan 0.000 0.465 84 L N 0.319 121.459 121.223 -0.137 0.000 2.093 84 L HA -0.055 4.288 4.340 0.005 0.000 0.208 84 L C 2.104 178.907 176.870 -0.111 0.000 1.085 84 L CA 1.095 55.830 54.840 -0.176 0.000 0.755 84 L CB -0.252 41.577 42.059 -0.384 0.000 0.904 84 L HN -0.046 nan 8.230 nan 0.000 0.435 85 A N -0.420 122.358 122.820 -0.070 0.000 2.345 85 A HA 0.056 4.379 4.320 0.005 0.000 0.225 85 A C 1.049 178.622 177.584 -0.019 0.000 1.243 85 A CA -0.361 51.666 52.037 -0.017 0.000 0.875 85 A CB -0.348 18.689 19.000 0.061 0.000 0.929 85 A HN 0.230 nan 8.150 nan 0.000 0.502 86 R N 0.669 121.152 120.500 -0.029 0.000 2.585 86 R HA 0.260 4.603 4.340 0.005 0.000 0.275 86 R C -0.360 175.921 176.300 -0.033 0.000 1.018 86 R CA 0.626 56.706 56.100 -0.033 0.000 1.072 86 R CB 0.340 30.623 30.300 -0.028 0.000 0.953 86 R HN 0.294 nan 8.270 nan 0.000 0.419 87 V N 2.149 122.040 119.914 -0.038 0.000 2.769 87 V HA 0.598 4.721 4.120 0.005 0.000 0.312 87 V C -2.479 173.596 176.094 -0.032 0.000 1.061 87 V CA -2.854 59.425 62.300 -0.033 0.000 0.931 87 V CB 1.573 33.374 31.823 -0.036 0.000 1.010 87 V HN 0.743 nan 8.190 nan 0.000 0.433 88 P HA 0.467 nan 4.420 nan 0.000 0.264 88 P C -0.440 176.843 177.300 -0.028 0.000 1.193 88 P CA 0.490 63.575 63.100 -0.025 0.000 0.763 88 P CB 0.762 32.450 31.700 -0.021 0.000 0.810 89 A N 3.307 126.110 122.820 -0.028 0.000 2.686 89 A HA 0.527 4.849 4.320 0.005 0.000 0.299 89 A C 0.421 177.989 177.584 -0.027 0.000 1.151 89 A CA -0.382 51.637 52.037 -0.031 0.000 0.851 89 A CB 0.061 19.037 19.000 -0.040 0.000 1.448 89 A HN 0.577 nan 8.150 nan 0.000 0.404 90 G N 0.690 109.476 108.800 -0.023 0.000 2.101 90 G HA2 0.460 4.422 3.960 0.005 0.000 0.262 90 G HA3 0.460 4.422 3.960 0.005 0.000 0.262 90 G C 1.337 176.227 174.900 -0.017 0.000 1.041 90 G CA 1.212 46.301 45.100 -0.018 0.000 1.002 90 G HN 2.423 nan 8.290 nan 0.000 0.403 91 G N 1.583 110.375 108.800 -0.012 0.000 2.399 91 G HA2 0.147 4.110 3.960 0.005 0.000 0.216 91 G HA3 0.147 4.110 3.960 0.005 0.000 0.216 91 G C 0.713 175.609 174.900 -0.006 0.000 1.096 91 G CA 0.577 45.672 45.100 -0.007 0.000 0.650 91 G HN 1.998 nan 8.290 nan 0.000 0.512 92 A N -0.007 122.804 122.820 -0.016 0.000 2.294 92 A HA 0.835 5.158 4.320 0.005 0.000 0.330 92 A C -0.259 177.312 177.584 -0.022 0.000 1.133 92 A CA -0.170 51.855 52.037 -0.020 0.000 0.836 92 A CB 1.430 20.410 19.000 -0.034 0.000 1.190 92 A HN 1.518 nan 8.150 nan 0.000 0.492 93 L N 1.824 123.033 121.223 -0.022 0.000 2.282 93 L HA 0.655 4.997 4.340 0.005 0.000 0.287 93 L C 0.186 177.023 176.870 -0.055 0.000 1.075 93 L CA 0.072 54.895 54.840 -0.029 0.000 0.839 93 L CB -0.017 42.032 42.059 -0.018 0.000 1.219 93 L HN 0.798 nan 8.230 nan 0.000 0.434 94 A N 4.914 127.696 122.820 -0.063 0.000 2.356 94 A HA 0.867 5.190 4.320 0.005 0.000 0.323 94 A C -0.847 176.675 177.584 -0.103 0.000 1.119 94 A CA -0.146 51.837 52.037 -0.090 0.000 0.790 94 A CB 1.756 20.712 19.000 -0.073 0.000 1.273 94 A HN 1.040 nan 8.150 nan 0.000 0.452 95 V N -0.908 118.915 119.914 -0.151 0.000 3.001 95 V HA 0.608 4.730 4.120 0.005 0.000 0.314 95 V C -0.513 175.516 176.094 -0.109 0.000 1.099 95 V CA -0.930 61.287 62.300 -0.139 0.000 0.989 95 V CB 1.882 33.561 31.823 -0.240 0.000 1.040 95 V HN 0.826 nan 8.190 nan 0.000 0.434 96 D N 1.874 122.242 120.400 -0.052 0.000 2.346 96 D HA 0.196 4.839 4.640 0.005 0.000 0.260 96 D C 1.167 177.465 176.300 -0.003 0.000 1.252 96 D CA 0.215 54.199 54.000 -0.027 0.000 0.895 96 D CB 1.162 41.959 40.800 -0.005 0.000 1.097 96 D HN 0.619 nan 8.370 nan 0.000 0.489 97 R N 2.709 123.188 120.500 -0.035 0.000 2.096 97 R HA -0.121 4.222 4.340 0.005 0.000 0.235 97 R C 1.743 178.096 176.300 0.088 0.000 1.127 97 R CA 1.262 57.350 56.100 -0.020 0.000 0.968 97 R CB 0.194 30.450 30.300 -0.073 0.000 0.861 97 R HN 0.559 nan 8.270 nan 0.000 0.440 98 E N 0.362 120.595 120.200 0.054 0.000 2.072 98 E HA -0.199 4.154 4.350 0.005 0.000 0.190 98 E C 1.903 178.547 176.600 0.073 0.000 0.982 98 E CA 0.899 57.334 56.400 0.057 0.000 0.803 98 E CB 0.027 29.743 29.700 0.028 0.000 0.755 98 E HN 0.352 nan 8.360 nan 0.000 0.453 99 E N 0.434 120.677 120.200 0.073 0.000 2.085 99 E HA -0.228 4.125 4.350 0.005 0.000 0.194 99 E C 1.832 178.503 176.600 0.118 0.000 0.994 99 E CA 0.928 57.373 56.400 0.075 0.000 0.801 99 E CB -0.124 29.605 29.700 0.047 0.000 0.743 99 E HN 0.220 nan 8.360 nan 0.000 0.453 100 F N 1.459 121.397 119.950 -0.020 0.000 2.046 100 F HA -0.265 4.265 4.527 0.005 0.000 0.297 100 F C 2.642 178.460 175.800 0.030 0.000 1.123 100 F CA 2.378 60.367 58.000 -0.018 0.000 1.199 100 F CB -0.577 38.384 39.000 -0.065 0.000 0.972 100 F HN 0.112 nan 8.300 nan 0.000 0.474 101 S N -0.165 115.603 115.700 0.114 0.000 2.428 101 S HA 0.010 4.483 4.470 0.005 0.000 0.230 101 S C 2.265 176.835 174.600 -0.051 0.000 1.014 101 S CA 0.690 58.883 58.200 -0.010 0.000 0.957 101 S CB -1.336 61.942 63.200 0.129 0.000 0.784 101 S HN 0.502 nan 8.310 nan 0.000 0.499 102 G N 0.397 109.191 108.800 -0.010 0.000 2.404 102 G HA2 -0.177 3.786 3.960 0.005 0.000 0.215 102 G HA3 -0.177 3.786 3.960 0.005 0.000 0.215 102 G C 1.265 176.135 174.900 -0.050 0.000 1.174 102 G CA 0.832 45.911 45.100 -0.035 0.000 0.780 102 G HN 0.573 nan 8.290 nan 0.000 0.537 103 Y N 1.158 121.372 120.300 -0.144 0.000 2.145 103 Y HA -0.072 4.480 4.550 0.004 0.000 0.286 103 Y C 2.590 178.355 175.900 -0.225 0.000 1.145 103 Y CA 1.485 59.485 58.100 -0.167 0.000 1.148 103 Y CB -0.157 38.202 38.460 -0.169 0.000 0.981 103 Y HN 0.170 nan 8.280 nan 0.000 0.507 104 I N -0.697 119.760 120.570 -0.187 0.000 2.226 104 I HA -0.340 3.833 4.170 0.005 0.000 0.245 104 I C 2.226 178.239 176.117 -0.174 0.000 1.100 104 I CA 1.851 62.987 61.300 -0.274 0.000 1.374 104 I CB -0.599 37.217 38.000 -0.307 0.000 1.057 104 I HN 0.236 nan 8.210 nan 0.000 0.413 105 T N 0.052 114.519 114.554 -0.145 0.000 2.708 105 T HA -0.183 4.169 4.350 0.005 0.000 0.266 105 T C 1.750 176.327 174.700 -0.206 0.000 1.037 105 T CA 1.385 63.350 62.100 -0.225 0.000 1.146 105 T CB -0.255 68.369 68.868 -0.407 0.000 0.865 105 T HN 0.403 nan 8.240 nan 0.000 0.435 106 E N 0.644 120.713 120.200 -0.219 0.000 2.058 106 E HA -0.132 4.221 4.350 0.005 0.000 0.194 106 E C 2.684 179.181 176.600 -0.172 0.000 0.997 106 E CA 0.765 57.051 56.400 -0.190 0.000 0.801 106 E CB -0.049 29.528 29.700 -0.204 0.000 0.746 106 E HN 0.224 nan 8.360 nan 0.000 0.450 107 R N 0.435 120.752 120.500 -0.304 0.000 2.081 107 R HA -0.094 4.249 4.340 0.005 0.000 0.235 107 R C 2.469 178.802 176.300 0.054 0.000 1.131 107 R CA 0.844 56.790 56.100 -0.257 0.000 0.960 107 R CB -0.591 29.314 30.300 -0.657 0.000 0.856 107 R HN 0.245 nan 8.270 nan 0.000 0.436 108 L N -0.125 121.141 121.223 0.072 0.000 2.023 108 L HA -0.116 4.227 4.340 0.005 0.000 0.205 108 L C 2.389 179.421 176.870 0.269 0.000 1.073 108 L CA 1.472 56.479 54.840 0.279 0.000 0.745 108 L CB -0.636 41.615 42.059 0.320 0.000 0.900 108 L HN 0.141 nan 8.230 nan 0.000 0.435 109 T N -0.628 114.050 114.554 0.206 0.000 2.833 109 T HA -0.124 4.229 4.350 0.005 0.000 0.269 109 T C 1.586 176.349 174.700 0.105 0.000 1.054 109 T CA 1.291 63.479 62.100 0.147 0.000 1.135 109 T CB -0.399 68.478 68.868 0.016 0.000 0.869 109 T HN 0.552 nan 8.240 nan 0.000 0.466 110 G N 0.011 108.866 108.800 0.091 0.000 2.985 110 G HA2 -0.049 3.914 3.960 0.005 0.000 0.209 110 G HA3 -0.049 3.914 3.960 0.005 0.000 0.209 110 G C 0.402 175.362 174.900 0.100 0.000 1.165 110 G CA -0.229 44.909 45.100 0.064 0.000 0.776 110 G HN 0.443 nan 8.290 nan 0.000 0.541 111 H N 1.652 120.774 119.070 0.087 0.000 2.690 111 H HA 0.181 4.740 4.556 0.005 0.000 0.314 111 H C -1.223 174.128 175.328 0.039 0.000 1.069 111 H CA -1.823 54.272 56.048 0.079 0.000 1.436 111 H CB 2.250 32.087 29.762 0.125 0.000 1.462 111 H HN 0.003 nan 8.280 nan 0.000 0.511 112 P HA -0.117 nan 4.420 nan 0.000 0.218 112 P C 1.428 178.833 177.300 0.175 0.000 1.149 112 P CA 0.775 63.931 63.100 0.094 0.000 0.817 112 P CB 0.502 32.194 31.700 -0.013 0.000 0.785 113 L N -1.170 120.278 121.223 0.375 0.000 2.610 113 L HA 0.093 4.436 4.340 0.005 0.000 0.232 113 L C 1.282 178.177 176.870 0.041 0.000 1.149 113 L CA 0.109 55.039 54.840 0.150 0.000 0.872 113 L CB -0.196 41.914 42.059 0.086 0.000 0.992 113 L HN 0.057 nan 8.230 nan 0.000 0.447 114 L N 1.488 122.761 121.223 0.083 0.000 2.296 114 L HA 0.363 4.706 4.340 0.005 0.000 0.286 114 L C -0.361 176.525 176.870 0.026 0.000 1.023 114 L CA 0.148 55.003 54.840 0.026 0.000 0.812 114 L CB 1.677 43.773 42.059 0.062 0.000 1.223 114 L HN 0.126 nan 8.230 nan 0.000 0.421 115 E N 4.430 124.616 120.200 -0.024 0.000 2.165 115 E HA 0.428 4.780 4.350 0.005 0.000 0.266 115 E C -1.651 174.895 176.600 -0.091 0.000 0.889 115 E CA -0.635 55.737 56.400 -0.046 0.000 0.756 115 E CB 2.093 31.752 29.700 -0.069 0.000 1.131 115 E HN 0.452 nan 8.360 nan 0.000 0.411 116 V N 4.896 124.783 119.914 -0.045 0.000 2.394 116 V HA 0.269 4.392 4.120 0.005 0.000 0.282 116 V C -0.250 175.784 176.094 -0.100 0.000 1.031 116 V CA -0.684 61.591 62.300 -0.043 0.000 0.881 116 V CB 1.528 33.423 31.823 0.119 0.000 0.982 116 V HN 0.504 nan 8.190 nan 0.000 0.451 117 V N 6.255 126.043 119.914 -0.210 0.000 2.357 117 V HA 0.466 4.589 4.120 0.005 0.000 0.284 117 V C 0.267 176.354 176.094 -0.012 0.000 1.018 117 V CA -0.862 61.335 62.300 -0.171 0.000 0.841 117 V CB 1.633 33.210 31.823 -0.411 0.000 0.991 117 V HN 0.724 nan 8.190 nan 0.000 0.437 118 R N 4.394 124.920 120.500 0.044 0.000 3.235 118 R HA 0.454 4.797 4.340 0.005 0.000 0.232 118 R C -0.400 175.959 176.300 0.098 0.000 1.475 118 R CA -0.103 56.047 56.100 0.083 0.000 1.405 118 R CB 0.022 30.364 30.300 0.070 0.000 1.266 118 R HN 0.685 nan 8.270 nan 0.000 0.650 119 E N 0.659 120.947 120.200 0.146 0.000 2.390 119 E HA 0.124 4.476 4.350 0.005 0.000 0.277 119 E C -0.947 175.738 176.600 0.142 0.000 0.939 119 E CA -0.720 55.765 56.400 0.142 0.000 0.769 119 E CB 2.327 32.129 29.700 0.171 0.000 1.251 119 E HN 0.270 nan 8.360 nan 0.000 0.450 120 E N 1.580 121.830 120.200 0.083 0.000 2.324 120 E HA 0.196 4.549 4.350 0.005 0.000 0.271 120 E C -0.692 175.916 176.600 0.014 0.000 1.028 120 E CA -0.306 56.123 56.400 0.050 0.000 0.890 120 E CB 0.853 30.573 29.700 0.033 0.000 1.004 120 E HN 0.106 nan 8.360 nan 0.000 0.431 121 V N 6.670 126.560 119.914 -0.039 0.000 2.455 121 V HA 0.128 4.251 4.120 0.005 0.000 0.273 121 V C 1.119 177.160 176.094 -0.088 0.000 1.045 121 V CA 0.113 62.324 62.300 -0.148 0.000 0.976 121 V CB 0.953 32.591 31.823 -0.309 0.000 0.993 121 V HN 0.765 nan 8.190 nan 0.000 0.475 122 R N 2.254 122.708 120.500 -0.078 0.000 2.307 122 R HA 0.259 4.601 4.340 0.005 0.000 0.200 122 R C -0.127 176.142 176.300 -0.052 0.000 0.893 122 R CA 0.083 56.156 56.100 -0.044 0.000 1.042 122 R CB 0.694 30.979 30.300 -0.026 0.000 1.059 122 R HN 0.647 nan 8.270 nan 0.000 0.530 123 E N 0.190 120.342 120.200 -0.080 0.000 2.343 123 E HA 0.330 4.683 4.350 0.005 0.000 0.270 123 E C -0.915 175.620 176.600 -0.109 0.000 0.895 123 E CA -0.637 55.715 56.400 -0.080 0.000 0.767 123 E CB 2.047 31.703 29.700 -0.073 0.000 1.248 123 E HN -0.025 nan 8.360 nan 0.000 0.440 124 I N 3.390 123.903 120.570 -0.096 0.000 2.662 124 I HA 0.066 4.239 4.170 0.005 0.000 0.285 124 I C -1.894 174.156 176.117 -0.113 0.000 1.161 124 I CA -1.285 59.954 61.300 -0.102 0.000 1.415 124 I CB -0.142 37.802 38.000 -0.093 0.000 1.385 124 I HN 0.217 nan 8.210 nan 0.000 0.552 125 P HA 0.124 nan 4.420 nan 0.000 0.268 125 P C -2.325 174.945 177.300 -0.050 0.000 1.205 125 P CA -0.796 62.236 63.100 -0.113 0.000 0.771 125 P CB -0.158 31.451 31.700 -0.153 0.000 0.858 126 P HA 0.323 nan 4.420 nan 0.000 0.276 126 P C 0.421 177.730 177.300 0.015 0.000 1.252 126 P CA 0.327 63.420 63.100 -0.012 0.000 0.802 126 P CB 0.511 32.205 31.700 -0.010 0.000 1.035 127 G N 0.307 109.118 108.800 0.018 0.000 2.508 127 G HA2 -0.168 3.794 3.960 0.005 0.000 0.220 127 G HA3 -0.168 3.794 3.960 0.005 0.000 0.220 127 G C -0.728 174.209 174.900 0.061 0.000 1.287 127 G CA -0.448 44.675 45.100 0.038 0.000 0.916 127 G HN 0.565 nan 8.290 nan 0.000 0.574 128 I N 1.764 122.385 120.570 0.085 0.000 2.337 128 I HA 0.480 4.652 4.170 0.005 0.000 0.291 128 I C 0.159 176.366 176.117 0.149 0.000 1.046 128 I CA 0.013 61.397 61.300 0.141 0.000 1.324 128 I CB 1.145 39.222 38.000 0.129 0.000 1.409 128 I HN 0.468 nan 8.210 nan 0.000 0.494 129 T N 5.403 120.081 114.554 0.206 0.000 2.971 129 T HA 0.385 4.738 4.350 0.005 0.000 0.304 129 T C -0.447 174.415 174.700 0.270 0.000 1.038 129 T CA -0.473 61.734 62.100 0.177 0.000 1.007 129 T CB 2.135 71.061 68.868 0.096 0.000 1.055 129 T HN 0.121 nan 8.240 nan 0.000 0.451 130 V N 4.659 124.693 119.914 0.200 0.000 2.370 130 V HA 0.448 4.571 4.120 0.005 0.000 0.283 130 V C -0.243 175.951 176.094 0.167 0.000 1.023 130 V CA -0.770 61.656 62.300 0.209 0.000 0.857 130 V CB 1.095 32.977 31.823 0.099 0.000 0.985 130 V HN 0.709 nan 8.190 nan 0.000 0.443 131 L N 4.598 125.937 121.223 0.194 0.000 2.264 131 L HA 0.762 5.105 4.340 0.005 0.000 0.289 131 L C 0.454 177.411 176.870 0.144 0.000 1.044 131 L CA -0.226 54.704 54.840 0.151 0.000 0.807 131 L CB 1.429 43.587 42.059 0.166 0.000 1.192 131 L HN 0.740 nan 8.230 nan 0.000 0.425 132 A N 0.971 123.860 122.820 0.115 0.000 3.292 132 A HA 0.285 4.608 4.320 0.005 0.000 0.231 132 A C 0.667 178.312 177.584 0.101 0.000 0.952 132 A CA -0.250 51.854 52.037 0.112 0.000 1.044 132 A CB -0.081 18.983 19.000 0.105 0.000 1.236 132 A HN 0.721 nan 8.150 nan 0.000 0.525 133 T N -2.673 111.940 114.554 0.098 0.000 3.107 133 T HA 0.473 4.825 4.350 0.005 0.000 0.249 133 T C 1.217 175.977 174.700 0.100 0.000 1.096 133 T CA 0.810 62.961 62.100 0.085 0.000 1.012 133 T CB -0.063 68.846 68.868 0.069 0.000 0.977 133 T HN 2.138 nan 8.240 nan 0.000 0.527 134 G N 2.679 111.549 108.800 0.116 0.000 2.782 134 G HA2 -0.144 3.819 3.960 0.005 0.000 0.228 134 G HA3 -0.144 3.819 3.960 0.005 0.000 0.228 134 G C -1.948 173.024 174.900 0.119 0.000 1.372 134 G CA -0.334 44.846 45.100 0.132 0.000 0.862 134 G HN 0.161 nan 8.290 nan 0.000 0.547 135 P HA 0.006 nan 4.420 nan 0.000 0.222 135 P C 1.224 178.563 177.300 0.066 0.000 1.147 135 P CA 1.211 64.358 63.100 0.078 0.000 0.790 135 P CB 0.079 31.816 31.700 0.062 0.000 0.780 136 L N -0.156 121.126 121.223 0.099 0.000 3.108 136 L HA 0.233 4.575 4.340 0.005 0.000 0.251 136 L C 0.272 177.197 176.870 0.091 0.000 1.315 136 L CA -0.391 54.505 54.840 0.093 0.000 1.048 136 L CB -0.369 41.762 42.059 0.121 0.000 1.432 136 L HN -0.239 nan 8.230 nan 0.000 0.543 137 T N 0.981 115.588 114.554 0.088 0.000 2.891 137 T HA -0.039 4.314 4.350 0.005 0.000 0.296 137 T C 0.894 175.645 174.700 0.084 0.000 1.025 137 T CA 0.244 62.392 62.100 0.079 0.000 1.149 137 T CB 0.429 69.340 68.868 0.072 0.000 1.007 137 T HN 0.558 nan 8.240 nan 0.000 0.528 138 S N 2.573 118.312 115.700 0.066 0.000 2.558 138 S HA -0.008 4.465 4.470 0.005 0.000 0.288 138 S C 1.356 176.006 174.600 0.083 0.000 1.318 138 S CA -0.419 57.818 58.200 0.061 0.000 1.056 138 S CB 0.609 63.834 63.200 0.041 0.000 0.853 138 S HN 0.860 nan 8.310 nan 0.000 0.505 139 E N 2.926 123.174 120.200 0.080 0.000 2.130 139 E HA -0.219 4.134 4.350 0.005 0.000 0.196 139 E C 2.068 178.721 176.600 0.089 0.000 0.998 139 E CA 1.437 57.898 56.400 0.101 0.000 0.806 139 E CB -0.626 29.095 29.700 0.035 0.000 0.738 139 E HN 0.901 nan 8.360 nan 0.000 0.459 140 A N 0.777 123.627 122.820 0.051 0.000 1.898 140 A HA -0.145 4.178 4.320 0.005 0.000 0.216 140 A C 2.126 179.729 177.584 0.032 0.000 1.181 140 A CA 1.277 53.334 52.037 0.033 0.000 0.620 140 A CB -0.611 18.398 19.000 0.015 0.000 0.819 140 A HN 0.389 nan 8.150 nan 0.000 0.442 141 L N -0.296 120.946 121.223 0.032 0.000 2.056 141 L HA 0.003 4.345 4.340 0.005 0.000 0.207 141 L C 2.699 179.595 176.870 0.044 0.000 1.078 141 L CA 1.964 56.818 54.840 0.024 0.000 0.749 141 L CB -0.806 41.263 42.059 0.016 0.000 0.901 141 L HN 0.351 nan 8.230 nan 0.000 0.433 142 A N -0.685 122.176 122.820 0.069 0.000 1.892 142 A HA -0.225 4.097 4.320 0.005 0.000 0.218 142 A C 2.154 179.778 177.584 0.067 0.000 1.188 142 A CA 1.932 54.005 52.037 0.061 0.000 0.631 142 A CB -0.624 18.455 19.000 0.131 0.000 0.822 142 A HN 0.526 nan 8.150 nan 0.000 0.447 143 E N -0.260 119.998 120.200 0.096 0.000 2.150 143 E HA -0.084 4.268 4.350 0.005 0.000 0.193 143 E C 2.324 178.942 176.600 0.030 0.000 0.985 143 E CA 1.121 57.565 56.400 0.072 0.000 0.814 143 E CB -0.595 29.144 29.700 0.066 0.000 0.752 143 E HN 0.597 nan 8.360 nan 0.000 0.466 144 A N 1.108 123.939 122.820 0.018 0.000 1.902 144 A HA -0.131 4.192 4.320 0.005 0.000 0.217 144 A C 2.369 179.954 177.584 0.000 0.000 1.181 144 A CA 1.014 53.045 52.037 -0.010 0.000 0.623 144 A CB -0.679 18.308 19.000 -0.022 0.000 0.818 144 A HN 0.181 nan 8.150 nan 0.000 0.443 145 L N -0.876 120.381 121.223 0.056 0.000 2.083 145 L HA -0.195 4.148 4.340 0.005 0.000 0.209 145 L C 2.577 179.550 176.870 0.171 0.000 1.083 145 L CA 1.693 56.630 54.840 0.161 0.000 0.752 145 L CB -0.322 41.845 42.059 0.179 0.000 0.899 145 L HN 0.330 nan 8.230 nan 0.000 0.433 146 K N -0.514 119.934 120.400 0.079 0.000 2.057 146 K HA -0.121 4.202 4.320 0.005 0.000 0.206 146 K C 2.282 178.890 176.600 0.013 0.000 1.050 146 K CA 1.054 57.371 56.287 0.050 0.000 0.935 146 K CB -0.064 32.440 32.500 0.006 0.000 0.715 146 K HN 0.179 nan 8.250 nan 0.000 0.439 147 R N 0.299 120.788 120.500 -0.019 0.000 2.081 147 R HA -0.139 4.204 4.340 0.005 0.000 0.235 147 R C 2.410 178.642 176.300 -0.113 0.000 1.131 147 R CA 1.541 57.607 56.100 -0.057 0.000 0.960 147 R CB -0.115 30.148 30.300 -0.061 0.000 0.856 147 R HN 0.107 nan 8.270 nan 0.000 0.436 148 R N -0.585 119.803 120.500 -0.187 0.000 2.100 148 R HA -0.034 4.308 4.340 0.005 0.000 0.220 148 R C 0.953 176.910 176.300 -0.572 0.000 1.091 148 R CA 1.248 57.071 56.100 -0.462 0.000 0.986 148 R CB 0.195 30.057 30.300 -0.729 0.000 0.888 148 R HN 0.101 nan 8.270 nan 0.000 0.444 149 F N -0.873 119.104 119.950 0.044 0.000 2.728 149 F HA 0.467 4.996 4.527 0.004 0.000 0.314 149 F C 0.332 176.250 175.800 0.197 0.000 1.094 149 F CA 0.394 58.477 58.000 0.139 0.000 1.217 149 F CB 1.692 40.816 39.000 0.206 0.000 1.056 149 F HN 0.174 nan 8.300 nan 0.000 0.577 150 G N 1.286 110.191 108.800 0.174 0.000 2.764 150 G HA2 -0.046 3.917 3.960 0.005 0.000 0.678 150 G HA3 -0.046 3.917 3.960 0.005 0.000 0.678 150 G C -0.339 174.482 174.900 -0.133 0.000 1.341 150 G CA -0.404 44.675 45.100 -0.035 0.000 0.836 150 G HN 0.121 nan 8.290 nan 0.000 0.632 151 D N -0.183 120.114 120.400 -0.172 0.000 2.363 151 D HA 0.029 4.671 4.640 0.005 0.000 0.226 151 D C 1.149 177.223 176.300 -0.377 0.000 1.020 151 D CA 1.076 54.950 54.000 -0.210 0.000 0.892 151 D CB -0.062 40.621 40.800 -0.194 0.000 0.900 151 D HN 0.636 nan 8.370 nan 0.000 0.531 152 H N -1.595 117.267 119.070 -0.346 0.000 2.586 152 H HA 0.272 4.831 4.556 0.004 0.000 0.273 152 H C 0.125 175.386 175.328 -0.112 0.000 0.997 152 H CA 0.003 55.894 56.048 -0.263 0.000 1.177 152 H CB 0.151 29.745 29.762 -0.279 0.000 1.471 152 H HN 0.038 nan 8.280 nan 0.000 0.538 153 F N 0.366 120.348 119.950 0.053 0.000 2.660 153 F HA 0.301 4.831 4.527 0.004 0.000 0.302 153 F C 0.116 175.868 175.800 -0.079 0.000 1.103 153 F CA -0.374 57.628 58.000 0.004 0.000 1.340 153 F CB 0.085 39.106 39.000 0.035 0.000 1.048 153 F HN 0.019 nan 8.300 nan 0.000 0.551 154 L N 0.108 121.330 121.223 -0.001 0.000 2.431 154 L HA 0.879 5.222 4.340 0.005 0.000 0.266 154 L C -0.992 175.679 176.870 -0.333 0.000 0.978 154 L CA -0.608 54.114 54.840 -0.196 0.000 0.822 154 L CB 1.770 43.712 42.059 -0.196 0.000 1.310 154 L HN -0.086 nan 8.230 nan 0.000 0.409 155 A N 2.816 125.330 122.820 -0.510 0.000 2.384 155 A HA 0.618 4.940 4.320 0.005 0.000 0.312 155 A C -1.186 176.151 177.584 -0.411 0.000 1.113 155 A CA -0.341 51.462 52.037 -0.390 0.000 0.779 155 A CB 1.049 19.848 19.000 -0.334 0.000 1.307 155 A HN 0.793 nan 8.150 nan 0.000 0.436 156 Y N -0.944 119.341 120.300 -0.026 0.000 2.444 156 Y HA 0.334 4.887 4.550 0.005 0.000 0.249 156 Y C -0.702 174.961 175.900 -0.396 0.000 1.134 156 Y CA 0.265 58.268 58.100 -0.161 0.000 1.261 156 Y CB 0.392 38.764 38.460 -0.148 0.000 1.143 156 Y HN 0.572 nan 8.280 nan 0.000 0.523 157 Y N -0.167 120.258 120.300 0.208 0.000 2.534 157 Y HA 0.364 4.916 4.550 0.004 0.000 0.345 157 Y C -0.712 175.342 175.900 0.257 0.000 1.031 157 Y CA -2.203 56.001 58.100 0.174 0.000 1.022 157 Y CB 1.251 39.799 38.460 0.146 0.000 1.292 157 Y HN -0.072 nan 8.280 nan 0.000 0.459 158 D N 0.701 121.323 120.400 0.369 0.000 2.385 158 D HA 0.733 5.376 4.640 0.005 0.000 0.254 158 D C -0.856 175.609 176.300 0.275 0.000 1.053 158 D CA -1.070 53.125 54.000 0.326 0.000 0.992 158 D CB 1.832 42.717 40.800 0.142 0.000 1.145 158 D HN 0.655 nan 8.370 nan 0.000 0.523 159 A N -0.063 122.878 122.820 0.202 0.000 3.307 159 A HA 0.617 4.940 4.320 0.005 0.000 0.289 159 A C -0.589 177.065 177.584 0.117 0.000 1.138 159 A CA -0.475 51.658 52.037 0.160 0.000 0.860 159 A CB -0.082 19.006 19.000 0.145 0.000 1.318 159 A HN 0.791 nan 8.150 nan 0.000 0.551 160 A N 1.284 124.161 122.820 0.095 0.000 2.301 160 A HA 0.739 5.062 4.320 0.005 0.000 0.298 160 A C 0.714 178.332 177.584 0.057 0.000 1.185 160 A CA 0.261 52.324 52.037 0.043 0.000 0.830 160 A CB 0.320 19.313 19.000 -0.013 0.000 1.112 160 A HN 1.643 nan 8.150 nan 0.000 0.508 161 S N 2.506 118.240 115.700 0.057 0.000 2.646 161 S HA 0.674 5.147 4.470 0.005 0.000 0.276 161 S C -2.826 171.776 174.600 0.004 0.000 1.222 161 S CA -1.443 56.808 58.200 0.086 0.000 1.014 161 S CB 0.662 63.948 63.200 0.144 0.000 0.991 161 S HN 0.443 nan 8.310 nan 0.000 0.533 162 P HA 0.300 nan 4.420 nan 0.000 0.268 162 P C -0.909 176.309 177.300 -0.136 0.000 1.205 162 P CA -0.010 63.004 63.100 -0.144 0.000 0.771 162 P CB 0.212 31.822 31.700 -0.150 0.000 0.858 163 I N 2.603 123.050 120.570 -0.205 0.000 2.433 163 I HA 0.333 4.506 4.170 0.005 0.000 0.292 163 I C 0.236 176.264 176.117 -0.148 0.000 1.001 163 I CA -1.025 60.195 61.300 -0.132 0.000 1.119 163 I CB 1.787 39.700 38.000 -0.145 0.000 1.289 163 I HN 0.113 nan 8.210 nan 0.000 0.438 164 V N 4.206 124.091 119.914 -0.048 0.000 2.881 164 V HA 0.537 4.660 4.120 0.005 0.000 0.316 164 V C -0.476 175.648 176.094 0.049 0.000 1.070 164 V CA -1.057 61.216 62.300 -0.045 0.000 0.976 164 V CB 1.941 33.727 31.823 -0.061 0.000 1.038 164 V HN 0.466 nan 8.190 nan 0.000 0.446 165 L N 2.727 123.969 121.223 0.030 0.000 2.418 165 L HA 0.269 4.612 4.340 0.005 0.000 0.274 165 L C 0.881 177.804 176.870 0.088 0.000 1.135 165 L CA 0.194 55.087 54.840 0.089 0.000 0.870 165 L CB 0.038 42.133 42.059 0.060 0.000 1.154 165 L HN 0.860 nan 8.230 nan 0.000 0.462 166 Y N 2.955 123.277 120.300 0.037 0.000 2.207 166 Y HA -0.289 4.263 4.550 0.004 0.000 0.287 166 Y C 1.985 177.820 175.900 -0.108 0.000 1.156 166 Y CA 2.168 60.206 58.100 -0.104 0.000 1.182 166 Y CB 0.150 38.585 38.460 -0.040 0.000 0.979 166 Y HN 0.826 nan 8.280 nan 0.000 0.521 167 E N -0.824 119.399 120.200 0.038 0.000 2.418 167 E HA -0.125 4.227 4.350 0.005 0.000 0.197 167 E C 1.684 178.215 176.600 -0.115 0.000 1.026 167 E CA 1.077 57.451 56.400 -0.043 0.000 0.862 167 E CB -0.420 29.311 29.700 0.052 0.000 0.799 167 E HN 0.488 nan 8.360 nan 0.000 0.518 168 S N 0.415 116.048 115.700 -0.112 0.000 2.575 168 S HA 0.174 4.647 4.470 0.005 0.000 0.215 168 S C 0.824 175.327 174.600 -0.161 0.000 0.966 168 S CA -0.546 57.590 58.200 -0.106 0.000 0.911 168 S CB -0.334 62.829 63.200 -0.062 0.000 0.780 168 S HN 0.168 nan 8.310 nan 0.000 0.514 169 I N 3.003 123.414 120.570 -0.265 0.000 2.441 169 I HA 0.180 4.353 4.170 0.005 0.000 0.287 169 I C -0.064 175.885 176.117 -0.280 0.000 1.049 169 I CA -0.435 60.682 61.300 -0.305 0.000 1.381 169 I CB 0.680 38.397 38.000 -0.471 0.000 1.409 169 I HN 0.075 nan 8.210 nan 0.000 0.523 170 D N 7.209 127.490 120.400 -0.199 0.000 2.402 170 D HA 0.107 4.749 4.640 0.005 0.000 0.235 170 D C 0.839 177.037 176.300 -0.170 0.000 1.226 170 D CA 0.059 53.963 54.000 -0.159 0.000 0.918 170 D CB 0.652 41.388 40.800 -0.106 0.000 1.043 170 D HN 0.421 nan 8.370 nan 0.000 0.506 171 L N 2.634 123.739 121.223 -0.198 0.000 2.465 171 L HA -0.081 4.262 4.340 0.005 0.000 0.224 171 L C 2.412 179.227 176.870 -0.091 0.000 1.145 171 L CA 1.093 55.824 54.840 -0.181 0.000 0.834 171 L CB -0.500 41.434 42.059 -0.208 0.000 0.944 171 L HN 0.468 nan 8.230 nan 0.000 0.451 172 T N -3.420 111.093 114.554 -0.070 0.000 3.007 172 T HA -0.139 4.213 4.350 0.005 0.000 0.270 172 T C 1.539 176.232 174.700 -0.011 0.000 1.107 172 T CA 0.769 62.849 62.100 -0.032 0.000 1.118 172 T CB -0.123 68.727 68.868 -0.030 0.000 0.889 172 T HN 0.325 nan 8.240 nan 0.000 0.506 173 K N 0.039 120.422 120.400 -0.027 0.000 2.374 173 K HA 0.284 4.607 4.320 0.005 0.000 0.196 173 K C 0.108 176.721 176.600 0.021 0.000 1.023 173 K CA -0.276 56.009 56.287 -0.003 0.000 1.103 173 K CB 0.183 32.667 32.500 -0.027 0.000 0.848 173 K HN 0.409 nan 8.250 nan 0.000 0.528 174 C N 0.303 119.607 119.300 0.007 0.000 2.710 174 C HA 0.744 5.207 4.460 0.005 0.000 0.367 174 C C -0.570 174.510 174.990 0.151 0.000 1.315 174 C CA -1.063 57.950 59.018 -0.008 0.000 1.764 174 C CB 0.487 28.144 27.740 -0.138 0.000 2.182 174 C HN 0.397 nan 8.230 nan 0.000 0.491 175 F N -1.563 118.375 119.950 -0.019 0.000 2.628 175 F HA 0.641 5.171 4.527 0.005 0.000 0.309 175 F C -0.572 175.250 175.800 0.037 0.000 1.108 175 F CA -1.124 56.879 58.000 0.005 0.000 0.971 175 F CB 0.819 39.826 39.000 0.011 0.000 1.279 175 F HN 0.363 nan 8.300 nan 0.000 0.441 176 R N 2.398 122.998 120.500 0.167 0.000 2.438 176 R HA 0.810 5.153 4.340 0.005 0.000 0.287 176 R C -0.516 175.916 176.300 0.221 0.000 1.077 176 R CA -0.178 56.001 56.100 0.132 0.000 1.034 176 R CB 1.010 31.393 30.300 0.139 0.000 0.993 176 R HN 1.152 nan 8.270 nan 0.000 0.459 177 A N 0.861 123.790 122.820 0.181 0.000 2.549 177 A HA 0.571 4.894 4.320 0.005 0.000 0.297 177 A C -1.028 176.693 177.584 0.228 0.000 0.983 177 A CA -0.288 51.889 52.037 0.232 0.000 0.654 177 A CB 1.257 20.484 19.000 0.378 0.000 1.319 177 A HN 0.760 nan 8.150 nan 0.000 0.428 178 G N -0.244 108.694 108.800 0.230 0.000 2.658 178 G HA2 0.754 4.717 3.960 0.005 0.000 0.292 178 G HA3 0.754 4.717 3.960 0.005 0.000 0.292 178 G C -0.538 174.489 174.900 0.212 0.000 1.320 178 G CA -0.693 44.557 45.100 0.249 0.000 0.933 178 G HN 1.057 nan 8.290 nan 0.000 0.476 179 R N -1.241 119.372 120.500 0.188 0.000 2.700 179 R HA 0.512 4.855 4.340 0.005 0.000 0.253 179 R C -1.046 175.430 176.300 0.293 0.000 1.091 179 R CA -0.909 55.319 56.100 0.214 0.000 1.104 179 R CB 0.675 31.054 30.300 0.132 0.000 1.202 179 R HN 0.353 nan 8.270 nan 0.000 0.532 180 Y N 0.480 120.810 120.300 0.050 0.000 2.677 180 Y HA 0.199 4.752 4.550 0.004 0.000 0.335 180 Y C 1.540 177.465 175.900 0.042 0.000 1.162 180 Y CA 1.454 59.580 58.100 0.044 0.000 1.483 180 Y CB 0.530 39.009 38.460 0.032 0.000 1.209 180 Y HN 1.001 nan 8.280 nan 0.000 0.528 181 G N 2.514 111.367 108.800 0.089 0.000 2.284 181 G HA2 -0.170 3.793 3.960 0.005 0.000 0.201 181 G HA3 -0.170 3.793 3.960 0.005 0.000 0.201 181 G C 0.066 175.017 174.900 0.085 0.000 0.998 181 G CA -0.425 44.718 45.100 0.071 0.000 0.651 181 G HN 0.509 nan 8.290 nan 0.000 0.489 182 Q N 0.488 120.359 119.800 0.119 0.000 2.351 182 Q HA 0.655 4.997 4.340 0.005 0.000 0.273 182 Q C -0.300 175.795 176.000 0.159 0.000 1.077 182 Q CA -0.407 55.521 55.803 0.209 0.000 0.843 182 Q CB 1.811 30.721 28.738 0.286 0.000 1.367 182 Q HN 0.315 nan 8.270 nan 0.000 0.449 183 S N 0.543 116.334 115.700 0.152 0.000 2.565 183 S HA 0.241 4.714 4.470 0.005 0.000 0.276 183 S C 0.514 175.156 174.600 0.070 0.000 1.326 183 S CA -0.366 57.845 58.200 0.018 0.000 1.045 183 S CB 1.298 64.420 63.200 -0.129 0.000 0.918 183 S HN 0.745 nan 8.310 nan 0.000 0.505 184 A N 1.290 124.141 122.820 0.051 0.000 2.258 184 A HA 0.031 4.354 4.320 0.005 0.000 0.206 184 A C 0.988 178.626 177.584 0.089 0.000 1.222 184 A CA 0.436 52.531 52.037 0.097 0.000 0.822 184 A CB -0.584 18.464 19.000 0.079 0.000 0.804 184 A HN 0.816 nan 8.150 nan 0.000 0.483 185 D N -2.347 118.062 120.400 0.016 0.000 2.440 185 D HA 0.119 4.762 4.640 0.005 0.000 0.216 185 D C -0.230 176.110 176.300 0.066 0.000 1.150 185 D CA -0.416 53.597 54.000 0.023 0.000 0.832 185 D CB -0.614 40.155 40.800 -0.051 0.000 0.992 185 D HN 0.354 nan 8.370 nan 0.000 0.502 186 Y N 0.703 121.084 120.300 0.135 0.000 2.397 186 Y HA 0.254 4.807 4.550 0.005 0.000 0.335 186 Y C 0.978 176.955 175.900 0.128 0.000 1.213 186 Y CA -0.330 57.868 58.100 0.164 0.000 1.391 186 Y CB 0.854 39.359 38.460 0.075 0.000 1.293 186 Y HN -0.116 nan 8.280 nan 0.000 0.557 187 L N 4.099 125.515 121.223 0.322 0.000 2.292 187 L HA 0.323 4.666 4.340 0.005 0.000 0.284 187 L C -0.526 176.271 176.870 -0.121 0.000 1.065 187 L CA -0.414 54.433 54.840 0.011 0.000 0.806 187 L CB 0.543 42.522 42.059 -0.134 0.000 1.175 187 L HN 0.711 nan 8.230 nan 0.000 0.431 188 N N 2.743 121.202 118.700 -0.402 0.000 2.342 188 N HA 0.309 5.052 4.740 0.005 0.000 0.293 188 N C -1.324 173.917 175.510 -0.448 0.000 1.026 188 N CA -0.491 52.236 53.050 -0.538 0.000 0.857 188 N CB 2.125 40.032 38.487 -0.967 0.000 1.256 188 N HN 0.462 nan 8.380 nan 0.000 0.484 189 C N 2.924 122.074 119.300 -0.250 0.000 2.225 189 C HA 0.372 4.835 4.460 0.005 0.000 0.323 189 C C -2.173 172.773 174.990 -0.073 0.000 1.164 189 C CA -1.504 57.425 59.018 -0.149 0.000 1.565 189 C CB 0.132 27.774 27.740 -0.163 0.000 2.124 189 C HN 0.489 nan 8.230 nan 0.000 0.461 190 P HA 0.354 nan 4.420 nan 0.000 0.275 190 P C -0.495 176.848 177.300 0.071 0.000 1.227 190 P CA 0.275 63.442 63.100 0.112 0.000 0.781 190 P CB 0.529 32.365 31.700 0.226 0.000 0.906 191 M N 1.189 120.847 119.600 0.098 0.000 2.530 191 M HA 0.346 4.829 4.480 0.005 0.000 0.307 191 M C 0.613 177.016 176.300 0.172 0.000 1.161 191 M CA -0.634 54.736 55.300 0.116 0.000 0.903 191 M CB 2.397 35.081 32.600 0.140 0.000 1.711 191 M HN 0.294 nan 8.290 nan 0.000 0.451 192 T N -2.570 112.053 114.554 0.114 0.000 2.754 192 T HA 0.135 4.488 4.350 0.005 0.000 0.286 192 T C 1.007 175.685 174.700 -0.037 0.000 0.997 192 T CA -0.485 61.650 62.100 0.058 0.000 0.982 192 T CB 1.069 69.942 68.868 0.008 0.000 1.027 192 T HN 0.757 nan 8.240 nan 0.000 0.529 193 E N 0.761 120.732 120.200 -0.382 0.000 2.085 193 E HA -0.233 4.120 4.350 0.005 0.000 0.194 193 E C 1.981 178.445 176.600 -0.227 0.000 0.994 193 E CA 2.095 57.973 56.400 -0.870 0.000 0.801 193 E CB -0.275 28.842 29.700 -0.972 0.000 0.743 193 E HN 0.954 nan 8.360 nan 0.000 0.453 194 E N 0.169 120.304 120.200 -0.109 0.000 2.106 194 E HA -0.174 4.179 4.350 0.005 0.000 0.192 194 E C 1.918 178.556 176.600 0.063 0.000 0.984 194 E CA 1.197 57.594 56.400 -0.005 0.000 0.806 194 E CB -0.289 29.403 29.700 -0.012 0.000 0.750 194 E HN 0.292 nan 8.360 nan 0.000 0.458 195 E N 0.040 120.284 120.200 0.072 0.000 2.077 195 E HA -0.213 4.140 4.350 0.005 0.000 0.193 195 E C 1.864 178.577 176.600 0.189 0.000 0.989 195 E CA 1.319 57.785 56.400 0.111 0.000 0.800 195 E CB -0.316 29.436 29.700 0.087 0.000 0.746 195 E HN 0.371 nan 8.360 nan 0.000 0.452 196 Y N 1.747 122.125 120.300 0.131 0.000 2.181 196 Y HA -0.199 4.354 4.550 0.005 0.000 0.288 196 Y C 2.270 178.330 175.900 0.266 0.000 1.146 196 Y CA 1.549 59.779 58.100 0.217 0.000 1.164 196 Y CB 0.017 38.645 38.460 0.280 0.000 0.982 196 Y HN -0.166 nan 8.280 nan 0.000 0.515 197 R N -0.055 120.582 120.500 0.229 0.000 2.083 197 R HA -0.193 4.150 4.340 0.005 0.000 0.237 197 R C 2.409 178.788 176.300 0.130 0.000 1.137 197 R CA 2.014 58.266 56.100 0.253 0.000 0.951 197 R CB -0.239 30.221 30.300 0.268 0.000 0.851 197 R HN 0.387 nan 8.270 nan 0.000 0.434 198 R N -0.937 119.629 120.500 0.109 0.000 2.115 198 R HA -0.094 4.249 4.340 0.005 0.000 0.226 198 R C 2.091 178.434 176.300 0.072 0.000 1.100 198 R CA 1.021 57.170 56.100 0.082 0.000 0.980 198 R CB -0.260 30.087 30.300 0.080 0.000 0.875 198 R HN 0.169 nan 8.270 nan 0.000 0.445 199 F N 1.247 121.160 119.950 -0.062 0.000 2.102 199 F HA -0.248 4.284 4.527 0.007 0.000 0.298 199 F C 2.543 178.263 175.800 -0.134 0.000 1.105 199 F CA 1.777 59.732 58.000 -0.075 0.000 1.239 199 F CB -0.427 38.545 39.000 -0.048 0.000 0.991 199 F HN 0.100 nan 8.300 nan 0.000 0.474 200 H N 0.849 119.735 119.070 -0.307 0.000 2.352 200 H HA -0.209 4.350 4.556 0.005 0.000 0.299 200 H C 2.014 177.210 175.328 -0.219 0.000 1.097 200 H CA 2.085 57.912 56.048 -0.368 0.000 1.311 200 H CB -0.321 29.158 29.762 -0.472 0.000 1.377 200 H HN 0.572 nan 8.280 nan 0.000 0.504 201 Q N -0.011 119.672 119.800 -0.194 0.000 2.172 201 Q HA 0.014 4.356 4.340 0.005 0.000 0.200 201 Q C 2.364 178.233 176.000 -0.218 0.000 0.964 201 Q CA 1.010 56.696 55.803 -0.195 0.000 0.855 201 Q CB -0.281 28.447 28.738 -0.018 0.000 0.918 201 Q HN 0.390 nan 8.270 nan 0.000 0.444 202 A N 1.378 124.069 122.820 -0.216 0.000 1.930 202 A HA -0.119 4.204 4.320 0.005 0.000 0.217 202 A C 2.089 179.510 177.584 -0.271 0.000 1.175 202 A CA 1.107 53.023 52.037 -0.201 0.000 0.627 202 A CB -0.520 18.379 19.000 -0.169 0.000 0.815 202 A HN 0.369 nan 8.150 nan 0.000 0.443 203 L N -0.152 120.818 121.223 -0.420 0.000 2.046 203 L HA -0.083 4.260 4.340 0.005 0.000 0.208 203 L C 2.279 178.981 176.870 -0.279 0.000 1.077 203 L CA 1.521 56.129 54.840 -0.386 0.000 0.747 203 L CB -0.593 41.173 42.059 -0.488 0.000 0.896 203 L HN 0.414 nan 8.230 nan 0.000 0.432 204 L N -0.844 120.181 121.223 -0.330 0.000 2.079 204 L HA -0.233 4.110 4.340 0.005 0.000 0.210 204 L C 2.342 179.129 176.870 -0.139 0.000 1.081 204 L CA 1.481 56.184 54.840 -0.228 0.000 0.752 204 L CB -0.483 41.434 42.059 -0.237 0.000 0.896 204 L HN 0.383 nan 8.230 nan 0.000 0.433 205 E N -0.309 119.812 120.200 -0.133 0.000 2.371 205 E HA -0.071 4.282 4.350 0.005 0.000 0.194 205 E C 2.190 178.748 176.600 -0.069 0.000 1.012 205 E CA 0.675 57.025 56.400 -0.084 0.000 0.860 205 E CB 0.034 29.690 29.700 -0.073 0.000 0.811 205 E HN 0.466 nan 8.360 nan 0.000 0.502 206 A N 1.320 124.089 122.820 -0.085 0.000 1.968 206 A HA -0.129 4.194 4.320 0.005 0.000 0.217 206 A C 1.365 178.929 177.584 -0.035 0.000 1.169 206 A CA 0.537 52.541 52.037 -0.055 0.000 0.638 206 A CB -0.168 18.794 19.000 -0.064 0.000 0.812 206 A HN 0.165 nan 8.150 nan 0.000 0.446 224 V N 5.646 125.565 119.914 0.009 0.000 2.546 224 V HA 0.390 4.513 4.120 0.005 0.000 0.284 224 V C -1.813 174.281 176.094 0.001 0.000 1.050 224 V CA -1.094 61.208 62.300 0.004 0.000 0.981 224 V CB 1.251 33.075 31.823 0.001 0.000 0.990 224 V HN 0.640 nan 8.190 nan 0.000 0.474 225 P HA 0.027 nan 4.420 nan 0.000 0.265 225 P C 0.889 178.171 177.300 -0.029 0.000 1.193 225 P CA 0.195 63.299 63.100 0.006 0.000 0.765 225 P CB 0.766 32.479 31.700 0.021 0.000 0.823 226 V N 3.678 123.550 119.914 -0.069 0.000 2.392 226 V HA -0.251 3.871 4.120 0.005 0.000 0.249 226 V C 2.072 178.104 176.094 -0.103 0.000 1.059 226 V CA 2.330 64.532 62.300 -0.163 0.000 1.051 226 V CB -0.856 30.738 31.823 -0.382 0.000 0.658 226 V HN 0.681 nan 8.190 nan 0.000 0.455 227 E N 0.114 120.279 120.200 -0.058 0.000 2.204 227 E HA -0.288 4.065 4.350 0.005 0.000 0.194 227 E C 1.965 178.545 176.600 -0.034 0.000 0.989 227 E CA 1.624 57.991 56.400 -0.055 0.000 0.824 227 E CB -0.422 29.257 29.700 -0.036 0.000 0.756 227 E HN 0.735 nan 8.360 nan 0.000 0.477 228 E N 1.519 121.709 120.200 -0.016 0.000 2.152 228 E HA -0.053 4.300 4.350 0.005 0.000 0.192 228 E C 2.248 178.858 176.600 0.016 0.000 0.983 228 E CA 0.697 57.097 56.400 0.001 0.000 0.818 228 E CB -0.319 29.384 29.700 0.005 0.000 0.758 228 E HN 0.333 nan 8.360 nan 0.000 0.467 229 L N -0.093 121.136 121.223 0.009 0.000 2.056 229 L HA -0.101 4.242 4.340 0.005 0.000 0.207 229 L C 2.513 179.435 176.870 0.088 0.000 1.078 229 L CA 1.104 55.968 54.840 0.039 0.000 0.749 229 L CB -0.682 41.386 42.059 0.015 0.000 0.901 229 L HN 0.251 nan 8.230 nan 0.000 0.433 230 A N 0.205 123.070 122.820 0.074 0.000 1.908 230 A HA -0.269 4.054 4.320 0.005 0.000 0.218 230 A C 2.422 180.112 177.584 0.177 0.000 1.181 230 A CA 1.869 53.996 52.037 0.150 0.000 0.627 230 A CB -0.661 18.289 19.000 -0.084 0.000 0.818 230 A HN 0.374 nan 8.150 nan 0.000 0.445 231 R N -0.232 120.303 120.500 0.059 0.000 2.159 231 R HA -0.101 4.242 4.340 0.005 0.000 0.237 231 R C 1.899 178.256 176.300 0.095 0.000 1.131 231 R CA 1.403 57.535 56.100 0.053 0.000 0.982 231 R CB -0.209 30.102 30.300 0.018 0.000 0.868 231 R HN 0.530 nan 8.270 nan 0.000 0.453 232 R N -0.373 120.191 120.500 0.106 0.000 2.299 232 R HA 0.131 4.474 4.340 0.005 0.000 0.197 232 R C 0.383 176.765 176.300 0.136 0.000 0.971 232 R CA 0.554 56.716 56.100 0.104 0.000 1.030 232 R CB 0.613 30.965 30.300 0.086 0.000 0.932 232 R HN 0.383 nan 8.270 nan 0.000 0.477 233 G N -0.967 107.952 108.800 0.198 0.000 2.339 233 G HA2 -0.217 3.746 3.960 0.005 0.000 0.381 233 G HA3 -0.217 3.746 3.960 0.005 0.000 0.381 233 G C -0.525 174.445 174.900 0.116 0.000 1.400 233 G CA -0.644 44.573 45.100 0.195 0.000 1.002 233 G HN 0.062 nan 8.290 nan 0.000 0.633 234 Y N 0.230 120.405 120.300 -0.208 0.000 2.128 234 Y HA -0.146 4.406 4.550 0.003 0.000 0.284 234 Y C 2.917 178.756 175.900 -0.101 0.000 1.154 234 Y CA 2.894 60.719 58.100 -0.458 0.000 1.149 234 Y CB 0.161 38.477 38.460 -0.240 0.000 0.976 234 Y HN 0.457 nan 8.280 nan 0.000 0.505 235 Q N -0.423 119.421 119.800 0.073 0.000 2.224 235 Q HA -0.121 4.222 4.340 0.005 0.000 0.203 235 Q C 2.153 178.071 176.000 -0.137 0.000 0.970 235 Q CA 1.755 57.485 55.803 -0.122 0.000 0.865 235 Q CB -0.553 28.149 28.738 -0.060 0.000 0.922 235 Q HN 0.539 nan 8.270 nan 0.000 0.445 236 T N 1.733 116.322 114.554 0.059 0.000 2.684 236 T HA -0.143 4.209 4.350 0.005 0.000 0.267 236 T C 2.025 176.784 174.700 0.098 0.000 1.036 236 T CA 0.968 63.153 62.100 0.143 0.000 1.148 236 T CB -0.290 68.661 68.868 0.140 0.000 0.863 236 T HN 0.198 nan 8.240 nan 0.000 0.436 237 L N 0.199 121.474 121.223 0.087 0.000 2.083 237 L HA -0.020 4.323 4.340 0.005 0.000 0.209 237 L C 2.456 179.312 176.870 -0.024 0.000 1.083 237 L CA 1.017 55.914 54.840 0.095 0.000 0.752 237 L CB -0.430 41.795 42.059 0.277 0.000 0.899 237 L HN 0.272 nan 8.230 nan 0.000 0.433 238 L N -1.789 119.301 121.223 -0.221 0.000 2.201 238 L HA -0.193 4.150 4.340 0.005 0.000 0.212 238 L C 2.179 178.870 176.870 -0.298 0.000 1.105 238 L CA 0.912 55.479 54.840 -0.455 0.000 0.775 238 L CB -0.300 41.291 42.059 -0.780 0.000 0.913 238 L HN 0.179 nan 8.230 nan 0.000 0.440 239 F N -0.355 119.522 119.950 -0.122 0.000 2.512 239 F HA 0.091 4.619 4.527 0.003 0.000 0.296 239 F C 1.912 177.674 175.800 -0.064 0.000 1.110 239 F CA 0.278 58.227 58.000 -0.084 0.000 1.446 239 F CB -0.821 38.148 39.000 -0.051 0.000 1.092 239 F HN -0.067 nan 8.300 nan 0.000 0.554 240 G N 0.510 109.377 108.800 0.111 0.000 3.329 240 G HA2 0.114 4.076 3.960 0.005 0.000 0.180 240 G HA3 0.114 4.076 3.960 0.005 0.000 0.180 240 G C -1.491 173.420 174.900 0.019 0.000 1.640 240 G CA -0.017 45.116 45.100 0.056 0.000 1.018 240 G HN -0.027 nan 8.290 nan 0.000 0.581 241 P HA 0.073 nan 4.420 nan 0.000 0.237 241 P C 0.999 178.336 177.300 0.062 0.000 1.178 241 P CA 0.917 64.030 63.100 0.022 0.000 0.766 241 P CB 0.191 31.888 31.700 -0.004 0.000 0.876 242 M N -0.240 119.385 119.600 0.042 0.000 2.404 242 M HA 0.123 4.606 4.480 0.005 0.000 0.271 242 M C 0.591 176.840 176.300 -0.085 0.000 1.128 242 M CA -0.263 55.059 55.300 0.037 0.000 0.982 242 M CB 0.125 32.799 32.600 0.124 0.000 1.445 242 M HN -0.114 nan 8.290 nan 0.000 0.495 243 K N 1.872 122.222 120.400 -0.084 0.000 2.368 243 K HA 0.206 4.529 4.320 0.005 0.000 0.282 243 K C -2.188 174.355 176.600 -0.095 0.000 1.035 243 K CA -1.041 55.173 56.287 -0.122 0.000 0.973 243 K CB 0.722 33.187 32.500 -0.059 0.000 0.957 243 K HN -0.105 nan 8.250 nan 0.000 0.474 244 P HA 0.012 nan 4.420 nan 0.000 0.261 244 P C -0.086 177.197 177.300 -0.029 0.000 1.268 244 P CA -0.248 62.816 63.100 -0.060 0.000 0.833 244 P CB 0.209 31.859 31.700 -0.084 0.000 1.231 245 V N 1.307 121.195 119.914 -0.043 0.000 2.681 245 V HA 0.166 4.288 4.120 0.005 0.000 0.306 245 V C 1.923 178.020 176.094 0.006 0.000 1.077 245 V CA 1.855 64.143 62.300 -0.021 0.000 1.224 245 V CB -0.932 30.883 31.823 -0.013 0.000 0.879 245 V HN 0.540 nan 8.190 nan 0.000 0.494 246 G N 3.534 112.336 108.800 0.003 0.000 2.179 246 G HA2 -0.241 3.721 3.960 0.005 0.000 0.260 246 G HA3 -0.241 3.721 3.960 0.005 0.000 0.260 246 G C -0.051 174.884 174.900 0.057 0.000 0.977 246 G CA 0.317 45.425 45.100 0.014 0.000 0.641 246 G HN 0.586 nan 8.290 nan 0.000 0.533 247 L N 0.147 121.416 121.223 0.076 0.000 2.344 247 L HA 0.772 5.114 4.340 0.005 0.000 0.272 247 L C 0.073 177.010 176.870 0.111 0.000 1.035 247 L CA -1.273 53.658 54.840 0.153 0.000 0.807 247 L CB 2.095 44.282 42.059 0.214 0.000 1.237 247 L HN -0.068 nan 8.230 nan 0.000 0.442 248 V N 0.837 120.809 119.914 0.096 0.000 2.524 248 V HA 0.173 4.295 4.120 0.005 0.000 0.297 248 V C -0.691 175.161 176.094 -0.403 0.000 1.035 248 V CA -0.707 61.547 62.300 -0.077 0.000 0.867 248 V CB 1.764 33.548 31.823 -0.064 0.000 1.004 248 V HN 0.638 nan 8.190 nan 0.000 0.426 249 D N 7.786 127.894 120.400 -0.488 0.000 2.358 249 D HA 0.172 4.815 4.640 0.005 0.000 0.258 249 D C -1.423 174.545 176.300 -0.552 0.000 1.223 249 D CA -1.693 51.775 54.000 -0.886 0.000 0.886 249 D CB 1.978 42.545 40.800 -0.389 0.000 1.120 249 D HN 0.274 nan 8.370 nan 0.000 0.482 250 P HA 0.015 nan 4.420 nan 0.000 0.247 250 P C 0.852 178.045 177.300 -0.179 0.000 1.225 250 P CA 0.303 63.237 63.100 -0.276 0.000 0.768 250 P CB 0.307 31.885 31.700 -0.202 0.000 1.020 251 R N -0.137 120.246 120.500 -0.194 0.000 2.397 251 R HA 0.106 4.449 4.340 0.005 0.000 0.241 251 R C 1.179 177.431 176.300 -0.080 0.000 0.914 251 R CA 1.018 57.058 56.100 -0.101 0.000 1.071 251 R CB 0.322 30.582 30.300 -0.067 0.000 1.116 251 R HN 0.172 nan 8.270 nan 0.000 0.524 252 T N -6.439 108.053 114.554 -0.103 0.000 3.092 252 T HA 0.176 4.529 4.350 0.005 0.000 0.273 252 T C 1.139 175.797 174.700 -0.070 0.000 0.898 252 T CA 0.420 62.478 62.100 -0.069 0.000 0.868 252 T CB 0.966 69.803 68.868 -0.052 0.000 1.228 252 T HN 0.119 nan 8.240 nan 0.000 0.555 253 G N 1.897 110.638 108.800 -0.099 0.000 2.166 253 G HA2 -0.255 3.708 3.960 0.005 0.000 0.260 253 G HA3 -0.255 3.708 3.960 0.005 0.000 0.260 253 G C -0.146 174.711 174.900 -0.072 0.000 0.986 253 G CA 0.741 45.791 45.100 -0.083 0.000 0.683 253 G HN 0.777 nan 8.290 nan 0.000 0.527 254 K N -0.247 120.107 120.400 -0.077 0.000 2.395 254 K HA 0.492 4.815 4.320 0.005 0.000 0.247 254 K C -0.207 176.367 176.600 -0.044 0.000 0.973 254 K CA -0.919 55.340 56.287 -0.047 0.000 0.828 254 K CB 2.034 34.520 32.500 -0.022 0.000 1.272 254 K HN 0.212 nan 8.250 nan 0.000 0.439 255 E N 2.770 122.961 120.200 -0.016 0.000 2.366 255 E HA 0.089 4.442 4.350 0.005 0.000 0.266 255 E C -2.159 174.459 176.600 0.030 0.000 1.015 255 E CA -1.533 54.871 56.400 0.008 0.000 0.906 255 E CB 0.426 30.126 29.700 -0.001 0.000 0.979 255 E HN 0.131 nan 8.360 nan 0.000 0.443 256 P HA -0.003 nan 4.420 nan 0.000 0.272 256 P C -0.130 177.221 177.300 0.085 0.000 1.230 256 P CA -0.237 62.923 63.100 0.099 0.000 0.788 256 P CB 0.398 32.187 31.700 0.148 0.000 0.949 257 F N 1.287 121.231 119.950 -0.009 0.000 2.102 257 F HA 0.035 4.565 4.527 0.004 0.000 0.298 257 F C 0.693 176.429 175.800 -0.107 0.000 1.105 257 F CA 1.817 59.788 58.000 -0.049 0.000 1.239 257 F CB -0.162 38.822 39.000 -0.026 0.000 0.991 257 F HN 0.399 nan 8.300 nan 0.000 0.474 258 A N -0.704 122.126 122.820 0.017 0.000 2.594 258 A HA 0.660 4.983 4.320 0.005 0.000 0.291 258 A C -1.354 176.234 177.584 0.006 0.000 1.105 258 A CA -0.024 51.950 52.037 -0.104 0.000 0.694 258 A CB 1.319 20.257 19.000 -0.104 0.000 1.291 258 A HN 0.580 nan 8.150 nan 0.000 0.410 259 V N -1.849 118.051 119.914 -0.022 0.000 3.049 259 V HA 0.880 5.003 4.120 0.005 0.000 0.309 259 V C -1.157 174.922 176.094 -0.024 0.000 1.148 259 V CA -0.784 61.502 62.300 -0.024 0.000 0.990 259 V CB 1.464 33.263 31.823 -0.040 0.000 1.039 259 V HN 0.947 nan 8.190 nan 0.000 0.430 260 V N 3.471 123.336 119.914 -0.082 0.000 2.384 260 V HA 0.487 4.610 4.120 0.005 0.000 0.287 260 V C -0.025 175.998 176.094 -0.119 0.000 1.020 260 V CA -0.276 61.967 62.300 -0.095 0.000 0.850 260 V CB 1.281 32.938 31.823 -0.278 0.000 0.987 260 V HN 1.025 nan 8.190 nan 0.000 0.436 261 Q N 4.026 123.784 119.800 -0.070 0.000 2.222 261 Q HA 0.713 5.056 4.340 0.005 0.000 0.252 261 Q C -1.378 174.641 176.000 0.032 0.000 0.926 261 Q CA -0.688 55.075 55.803 -0.067 0.000 0.899 261 Q CB 2.325 30.957 28.738 -0.176 0.000 1.250 261 Q HN 0.524 nan 8.270 nan 0.000 0.441 262 L N 1.812 123.132 121.223 0.162 0.000 2.362 262 L HA 0.584 4.927 4.340 0.005 0.000 0.271 262 L C -0.524 176.708 176.870 0.603 0.000 1.002 262 L CA -0.616 54.416 54.840 0.319 0.000 0.818 262 L CB 1.817 44.039 42.059 0.271 0.000 1.298 262 L HN 0.577 nan 8.230 nan 0.000 0.420 263 R N 1.529 122.306 120.500 0.462 0.000 2.750 263 R HA 0.542 4.884 4.340 0.005 0.000 0.281 263 R C -0.867 175.223 176.300 -0.350 0.000 0.972 263 R CA -0.832 55.360 56.100 0.152 0.000 0.912 263 R CB 1.571 31.960 30.300 0.149 0.000 1.187 263 R HN 0.627 nan 8.270 nan 0.000 0.464 264 Q N 1.639 120.741 119.800 -1.164 0.000 2.311 264 Q HA -0.002 4.340 4.340 0.005 0.000 0.272 264 Q C -0.253 175.342 176.000 -0.674 0.000 1.012 264 Q CA 0.100 54.957 55.803 -1.576 0.000 0.891 264 Q CB 0.974 28.744 28.738 -1.613 0.000 1.201 264 Q HN 0.736 nan 8.270 nan 0.000 0.391 265 E N 2.430 122.354 120.200 -0.462 0.000 2.206 265 E HA -0.002 4.351 4.350 0.005 0.000 0.195 265 E C -0.268 176.222 176.600 -0.184 0.000 0.935 265 E CA 0.464 56.752 56.400 -0.187 0.000 0.875 265 E CB 0.286 29.997 29.700 0.019 0.000 0.841 265 E HN 0.764 nan 8.360 nan 0.000 0.477 266 D N 0.513 120.843 120.400 -0.117 0.000 2.229 266 D HA 0.075 4.717 4.640 0.005 0.000 0.249 266 D C 0.854 177.055 176.300 -0.165 0.000 1.027 266 D CA -0.440 53.503 54.000 -0.096 0.000 0.923 266 D CB 2.014 42.900 40.800 0.144 0.000 1.174 266 D HN -0.222 nan 8.370 nan 0.000 0.443 267 K N 0.749 121.055 120.400 -0.157 0.000 2.074 267 K HA -0.210 4.113 4.320 0.005 0.000 0.209 267 K C 1.773 178.315 176.600 -0.097 0.000 1.048 267 K CA 1.583 57.788 56.287 -0.136 0.000 0.926 267 K CB -0.352 32.078 32.500 -0.118 0.000 0.713 267 K HN 0.525 nan 8.250 nan 0.000 0.444 268 A N -0.101 122.688 122.820 -0.052 0.000 2.119 268 A HA 0.087 4.410 4.320 0.005 0.000 0.217 268 A C 1.468 179.033 177.584 -0.032 0.000 1.153 268 A CA 1.256 53.277 52.037 -0.027 0.000 0.692 268 A CB -0.537 18.470 19.000 0.011 0.000 0.799 268 A HN 0.624 nan 8.150 nan 0.000 0.458 269 G N -1.072 107.694 108.800 -0.057 0.000 2.143 269 G HA2 -0.298 3.665 3.960 0.005 0.000 0.249 269 G HA3 -0.298 3.665 3.960 0.005 0.000 0.249 269 G C 0.898 175.874 174.900 0.128 0.000 0.981 269 G CA 0.613 45.690 45.100 -0.039 0.000 0.665 269 G HN 0.562 nan 8.290 nan 0.000 0.528 270 R N -0.924 119.655 120.500 0.133 0.000 2.240 270 R HA 0.302 4.645 4.340 0.005 0.000 0.203 270 R C 0.921 177.414 176.300 0.321 0.000 1.011 270 R CA 0.776 57.009 56.100 0.221 0.000 1.007 270 R CB 0.129 30.518 30.300 0.149 0.000 0.911 270 R HN 0.494 nan 8.270 nan 0.000 0.468 271 M N -0.049 119.719 119.600 0.280 0.000 2.197 271 M HA 0.257 4.740 4.480 0.005 0.000 0.301 271 M C -1.677 174.745 176.300 0.204 0.000 0.987 271 M CA -0.490 54.955 55.300 0.240 0.000 0.921 271 M CB 2.055 34.719 32.600 0.106 0.000 1.569 271 M HN -0.137 nan 8.290 nan 0.000 0.431 272 W N 1.363 122.688 121.300 0.042 0.000 2.785 272 W HA 0.646 5.309 4.660 0.004 0.000 0.333 272 W C -0.166 176.354 176.519 0.002 0.000 1.062 272 W CA -0.612 56.757 57.345 0.041 0.000 1.233 272 W CB 1.871 31.380 29.460 0.082 0.000 1.413 272 W HN 0.599 nan 8.180 nan 0.000 0.489 273 S N 1.534 117.340 115.700 0.177 0.000 2.651 273 S HA 0.754 5.226 4.470 0.005 0.000 0.291 273 S C -0.895 173.774 174.600 0.114 0.000 1.141 273 S CA -0.785 57.474 58.200 0.097 0.000 1.027 273 S CB 1.142 64.377 63.200 0.059 0.000 1.043 273 S HN 0.296 nan 8.310 nan 0.000 0.530 274 L N 2.557 123.804 121.223 0.041 0.000 2.315 274 L HA 0.312 4.655 4.340 0.005 0.000 0.283 274 L C -0.198 176.762 176.870 0.151 0.000 1.089 274 L CA -0.131 54.704 54.840 -0.009 0.000 0.833 274 L CB 0.798 42.697 42.059 -0.267 0.000 1.170 274 L HN 0.585 nan 8.230 nan 0.000 0.442 275 V N 4.073 124.086 119.914 0.165 0.000 2.529 275 V HA 0.263 4.386 4.120 0.005 0.000 0.292 275 V C 1.353 177.615 176.094 0.281 0.000 1.028 275 V CA 0.872 63.281 62.300 0.183 0.000 1.074 275 V CB 0.299 32.158 31.823 0.059 0.000 0.958 275 V HN 1.045 nan 8.190 nan 0.000 0.481 276 G N 4.490 113.412 108.800 0.203 0.000 2.153 276 G HA2 -0.302 3.661 3.960 0.005 0.000 0.252 276 G HA3 -0.302 3.661 3.960 0.005 0.000 0.252 276 G C 0.112 175.072 174.900 0.101 0.000 0.994 276 G CA 0.180 45.358 45.100 0.130 0.000 0.698 276 G HN 0.648 nan 8.290 nan 0.000 0.521 277 F N 1.367 121.354 119.950 0.062 0.000 2.798 277 F HA 0.360 4.891 4.527 0.006 0.000 0.291 277 F C 1.248 177.087 175.800 0.064 0.000 1.174 277 F CA -0.523 57.521 58.000 0.073 0.000 1.392 277 F CB 0.244 39.292 39.000 0.080 0.000 0.966 277 F HN 0.152 nan 8.300 nan 0.000 0.509 278 Q N 0.328 120.211 119.800 0.139 0.000 2.310 278 Q HA 0.243 4.586 4.340 0.005 0.000 0.315 278 Q C 0.580 176.636 176.000 0.093 0.000 1.081 278 Q CA 0.578 56.446 55.803 0.109 0.000 0.981 278 Q CB 0.375 29.164 28.738 0.086 0.000 1.184 278 Q HN 0.179 nan 8.270 nan 0.000 0.389 279 T N -0.520 114.099 114.554 0.110 0.000 2.840 279 T HA 0.631 4.983 4.350 0.005 0.000 0.317 279 T C -0.078 174.694 174.700 0.120 0.000 1.401 279 T CA -0.203 61.960 62.100 0.105 0.000 1.028 279 T CB 1.122 70.070 68.868 0.133 0.000 1.317 279 T HN 0.591 nan 8.240 nan 0.000 0.495 280 G N 2.084 110.947 108.800 0.104 0.000 3.519 280 G HA2 0.367 4.330 3.960 0.005 0.000 0.269 280 G HA3 0.367 4.330 3.960 0.005 0.000 0.269 280 G C 0.335 175.302 174.900 0.113 0.000 1.028 280 G CA -0.265 44.901 45.100 0.110 0.000 0.809 280 G HN 0.657 nan 8.290 nan 0.000 0.521 281 L N 0.964 122.261 121.223 0.124 0.000 2.483 281 L HA 0.182 4.524 4.340 0.005 0.000 0.275 281 L C 0.678 177.657 176.870 0.181 0.000 1.220 281 L CA -0.134 54.777 54.840 0.119 0.000 0.833 281 L CB 0.602 42.729 42.059 0.113 0.000 1.102 281 L HN 0.042 nan 8.230 nan 0.000 0.490 282 K N 1.484 121.955 120.400 0.118 0.000 2.469 282 K HA -0.106 4.217 4.320 0.005 0.000 0.274 282 K C 0.442 177.185 176.600 0.238 0.000 0.983 282 K CA -0.115 56.237 56.287 0.107 0.000 0.974 282 K CB 0.500 33.005 32.500 0.009 0.000 0.913 282 K HN 0.456 nan 8.250 nan 0.000 0.493 283 W N 2.203 123.392 121.300 -0.185 0.000 2.358 283 W HA -0.050 4.612 4.660 0.004 0.000 0.303 283 W C -0.738 175.654 176.519 -0.212 0.000 1.208 283 W CA 0.557 57.669 57.345 -0.389 0.000 1.274 283 W CB -1.956 26.974 29.460 -0.882 0.000 1.138 283 W HN 0.636 nan 8.180 nan 0.000 0.515 284 P HA -0.141 nan 4.420 nan 0.000 0.218 284 P C 1.463 178.824 177.300 0.102 0.000 1.149 284 P CA 1.830 64.979 63.100 0.083 0.000 0.817 284 P CB -0.002 31.719 31.700 0.036 0.000 0.785 285 E N 0.083 120.339 120.200 0.094 0.000 2.072 285 E HA -0.190 4.163 4.350 0.005 0.000 0.191 285 E C 2.067 178.738 176.600 0.119 0.000 0.985 285 E CA 1.144 57.593 56.400 0.082 0.000 0.801 285 E CB -0.624 29.111 29.700 0.058 0.000 0.750 285 E HN 0.461 nan 8.360 nan 0.000 0.452 286 Q N 0.773 120.684 119.800 0.186 0.000 2.061 286 Q HA -0.179 4.164 4.340 0.005 0.000 0.204 286 Q C 2.280 178.404 176.000 0.207 0.000 0.984 286 Q CA 1.534 57.469 55.803 0.220 0.000 0.846 286 Q CB -0.205 28.726 28.738 0.322 0.000 0.902 286 Q HN 0.139 nan 8.270 nan 0.000 0.421 287 K N 0.970 121.536 120.400 0.276 0.000 2.032 287 K HA -0.208 4.115 4.320 0.005 0.000 0.209 287 K C 2.142 178.816 176.600 0.123 0.000 1.048 287 K CA 1.287 57.698 56.287 0.208 0.000 0.927 287 K CB -0.028 32.622 32.500 0.249 0.000 0.712 287 K HN -0.009 nan 8.250 nan 0.000 0.441 288 R N 0.200 120.766 120.500 0.109 0.000 2.083 288 R HA -0.110 4.233 4.340 0.005 0.000 0.237 288 R C 2.347 178.695 176.300 0.081 0.000 1.137 288 R CA 1.496 57.641 56.100 0.076 0.000 0.951 288 R CB -0.213 30.120 30.300 0.055 0.000 0.851 288 R HN 0.225 nan 8.270 nan 0.000 0.434 289 L N 0.457 121.733 121.223 0.089 0.000 2.027 289 L HA -0.168 4.175 4.340 0.005 0.000 0.206 289 L C 2.312 179.326 176.870 0.239 0.000 1.074 289 L CA 1.713 56.625 54.840 0.120 0.000 0.745 289 L CB -0.686 41.417 42.059 0.074 0.000 0.898 289 L HN 0.326 nan 8.230 nan 0.000 0.433 290 I N -0.456 120.207 120.570 0.154 0.000 2.286 290 I HA -0.318 3.855 4.170 0.005 0.000 0.248 290 I C 2.246 178.392 176.117 0.048 0.000 1.115 290 I CA 1.036 62.384 61.300 0.080 0.000 1.392 290 I CB -0.136 37.861 38.000 -0.006 0.000 1.065 290 I HN 0.369 nan 8.210 nan 0.000 0.418 291 Q N -0.037 119.797 119.800 0.056 0.000 2.515 291 Q HA -0.052 4.291 4.340 0.005 0.000 0.212 291 Q C 1.917 177.948 176.000 0.052 0.000 0.970 291 Q CA 0.677 56.501 55.803 0.034 0.000 0.941 291 Q CB 0.056 28.814 28.738 0.033 0.000 0.998 291 Q HN 0.600 nan 8.270 nan 0.000 0.518 292 M N -0.163 119.501 119.600 0.108 0.000 2.514 292 M HA 0.100 4.582 4.480 0.005 0.000 0.258 292 M C 0.344 176.684 176.300 0.066 0.000 1.119 292 M CA 0.355 55.735 55.300 0.133 0.000 1.111 292 M CB 0.496 33.259 32.600 0.271 0.000 1.390 292 M HN 0.080 nan 8.290 nan 0.000 0.475 293 I N 2.005 122.569 120.570 -0.010 0.000 2.471 293 I HA 0.134 4.306 4.170 0.005 0.000 0.286 293 I C -2.145 173.910 176.117 -0.103 0.000 1.079 293 I CA -2.026 59.186 61.300 -0.146 0.000 1.398 293 I CB 0.418 38.271 38.000 -0.245 0.000 1.403 293 I HN -0.252 nan 8.210 nan 0.000 0.530 294 P HA 0.066 nan 4.420 nan 0.000 0.267 294 P C 0.791 178.040 177.300 -0.086 0.000 1.209 294 P CA 0.673 63.734 63.100 -0.064 0.000 0.763 294 P CB 0.729 32.406 31.700 -0.039 0.000 0.816 295 G N 2.809 111.559 108.800 -0.083 0.000 2.279 295 G HA2 -0.239 3.724 3.960 0.005 0.000 0.223 295 G HA3 -0.239 3.724 3.960 0.005 0.000 0.223 295 G C 0.477 175.302 174.900 -0.125 0.000 1.015 295 G CA -0.053 44.980 45.100 -0.112 0.000 0.621 295 G HN 0.485 nan 8.290 nan 0.000 0.506 296 L N 0.675 121.831 121.223 -0.111 0.000 2.857 296 L HA 0.375 4.718 4.340 0.005 0.000 0.249 296 L C 1.946 178.775 176.870 -0.069 0.000 1.172 296 L CA 0.151 54.927 54.840 -0.106 0.000 0.980 296 L CB 0.453 42.438 42.059 -0.123 0.000 1.299 296 L HN 0.118 nan 8.230 nan 0.000 0.535 297 E N 1.777 121.944 120.200 -0.054 0.000 2.097 297 E HA -0.208 4.145 4.350 0.005 0.000 0.196 297 E C 0.746 177.332 176.600 -0.024 0.000 1.000 297 E CA 1.660 58.043 56.400 -0.028 0.000 0.804 297 E CB -0.151 29.535 29.700 -0.023 0.000 0.740 297 E HN 0.610 nan 8.360 nan 0.000 0.454 298 N N -0.487 118.191 118.700 -0.037 0.000 2.401 298 N HA 0.332 5.075 4.740 0.005 0.000 0.264 298 N C -0.850 174.635 175.510 -0.041 0.000 1.238 298 N CA 0.083 53.115 53.050 -0.029 0.000 0.889 298 N CB 0.730 39.201 38.487 -0.026 0.000 1.196 298 N HN 0.080 nan 8.380 nan 0.000 0.511 299 A N 0.399 123.186 122.820 -0.055 0.000 2.498 299 A HA 0.144 4.467 4.320 0.005 0.000 0.239 299 A C 0.164 177.717 177.584 -0.051 0.000 1.068 299 A CA -0.215 51.780 52.037 -0.069 0.000 0.766 299 A CB 0.190 19.135 19.000 -0.091 0.000 1.003 299 A HN 0.477 nan 8.150 nan 0.000 0.497 300 E N 2.395 122.567 120.200 -0.047 0.000 2.081 300 E HA 0.391 4.744 4.350 0.005 0.000 0.276 300 E C -0.838 175.713 176.600 -0.082 0.000 0.950 300 E CA -0.377 56.003 56.400 -0.032 0.000 0.776 300 E CB 0.395 30.099 29.700 0.006 0.000 1.094 300 E HN 0.590 nan 8.360 nan 0.000 0.402 301 I N 5.615 126.090 120.570 -0.158 0.000 2.517 301 I HA -0.030 4.143 4.170 0.005 0.000 0.285 301 I C 1.311 177.246 176.117 -0.304 0.000 1.106 301 I CA -0.135 60.953 61.300 -0.352 0.000 1.402 301 I CB 0.845 38.399 38.000 -0.744 0.000 1.399 301 I HN 0.513 nan 8.210 nan 0.000 0.535 302 V N 2.802 122.561 119.914 -0.259 0.000 3.661 302 V HA 0.340 4.463 4.120 0.005 0.000 0.271 302 V C 0.718 176.636 176.094 -0.294 0.000 1.315 302 V CA 0.201 62.398 62.300 -0.171 0.000 1.072 302 V CB -0.025 31.737 31.823 -0.102 0.000 0.830 302 V HN 0.792 nan 8.190 nan 0.000 0.443 303 R N 0.301 120.535 120.500 -0.444 0.000 2.569 303 R HA 0.368 4.711 4.340 0.005 0.000 0.293 303 R C -1.863 174.136 176.300 -0.503 0.000 1.186 303 R CA -0.578 55.178 56.100 -0.573 0.000 0.956 303 R CB 1.278 31.170 30.300 -0.680 0.000 1.196 303 R HN 0.407 nan 8.270 nan 0.000 0.444 304 Y N 0.507 120.481 120.300 -0.543 0.000 2.379 304 Y HA 0.283 4.836 4.550 0.005 0.000 0.337 304 Y C 1.678 177.336 175.900 -0.403 0.000 1.238 304 Y CA 1.014 58.688 58.100 -0.710 0.000 1.405 304 Y CB 0.770 38.159 38.460 -1.785 0.000 1.310 304 Y HN 0.653 nan 8.280 nan 0.000 0.569 305 G N 0.718 109.467 108.800 -0.086 0.000 2.483 305 G HA2 0.462 4.424 3.960 0.005 0.000 0.248 305 G HA3 0.462 4.424 3.960 0.005 0.000 0.248 305 G C -0.949 174.024 174.900 0.122 0.000 1.248 305 G CA -0.156 44.961 45.100 0.029 0.000 0.838 305 G HN 0.777 nan 8.290 nan 0.000 0.566 306 V N -0.551 119.440 119.914 0.128 0.000 3.178 306 V HA 0.831 4.954 4.120 0.005 0.000 0.302 306 V C -0.592 175.601 176.094 0.165 0.000 1.262 306 V CA -1.352 61.039 62.300 0.151 0.000 1.030 306 V CB 1.902 33.791 31.823 0.111 0.000 1.074 306 V HN 0.764 nan 8.190 nan 0.000 0.438 307 M N 5.553 125.265 119.600 0.187 0.000 2.149 307 M HA 0.725 5.208 4.480 0.005 0.000 0.273 307 M C -1.197 175.317 176.300 0.357 0.000 0.972 307 M CA -0.315 55.138 55.300 0.254 0.000 0.984 307 M CB 1.951 34.654 32.600 0.171 0.000 1.699 307 M HN 1.223 nan 8.290 nan 0.000 0.462 308 H N 0.653 119.847 119.070 0.206 0.000 2.967 308 H HA 0.511 5.068 4.556 0.003 0.000 0.318 308 H C -1.549 173.969 175.328 0.316 0.000 1.375 308 H CA -1.295 54.894 56.048 0.235 0.000 1.132 308 H CB 0.852 30.702 29.762 0.148 0.000 1.848 308 H HN 0.643 nan 8.280 nan 0.000 0.524 309 R N 1.473 122.053 120.500 0.134 0.000 2.504 309 R HA 0.205 4.548 4.340 0.005 0.000 0.291 309 R C -0.970 175.051 176.300 -0.465 0.000 0.974 309 R CA 0.776 56.741 56.100 -0.225 0.000 1.077 309 R CB -0.662 29.574 30.300 -0.107 0.000 0.926 309 R HN 0.810 nan 8.270 nan 0.000 0.407 310 N N 1.963 120.443 118.700 -0.366 0.000 3.127 310 N HA 0.086 4.829 4.740 0.005 0.000 0.239 310 N C -1.940 173.587 175.510 0.028 0.000 1.200 310 N CA -0.249 52.675 53.050 -0.211 0.000 0.924 310 N CB 1.249 39.545 38.487 -0.318 0.000 1.583 310 N HN 0.572 nan 8.380 nan 0.000 0.645 311 T N 3.585 118.160 114.554 0.035 0.000 2.794 311 T HA 0.468 4.820 4.350 0.005 0.000 0.296 311 T C -0.871 173.928 174.700 0.166 0.000 0.949 311 T CA 0.304 62.419 62.100 0.025 0.000 1.101 311 T CB -0.125 68.735 68.868 -0.014 0.000 0.905 311 T HN 0.433 nan 8.240 nan 0.000 0.516 312 Y N 1.059 121.330 120.300 -0.047 0.000 2.624 312 Y HA 0.699 5.252 4.550 0.004 0.000 0.334 312 Y C -1.763 174.162 175.900 0.041 0.000 1.155 312 Y CA -1.810 56.305 58.100 0.025 0.000 1.046 312 Y CB 0.640 39.146 38.460 0.077 0.000 1.316 312 Y HN 0.408 nan 8.280 nan 0.000 0.457 313 L N 2.468 123.744 121.223 0.089 0.000 2.379 313 L HA 0.355 4.698 4.340 0.005 0.000 0.269 313 L C 0.329 177.243 176.870 0.073 0.000 1.084 313 L CA -0.891 53.942 54.840 -0.011 0.000 0.802 313 L CB 0.768 42.813 42.059 -0.023 0.000 1.175 313 L HN 0.742 nan 8.230 nan 0.000 0.448 314 N N 1.364 120.056 118.700 -0.014 0.000 2.549 314 N HA 0.083 4.826 4.740 0.005 0.000 0.267 314 N C 0.628 175.896 175.510 -0.402 0.000 1.182 314 N CA 0.192 53.213 53.050 -0.049 0.000 1.019 314 N CB 1.271 39.756 38.487 -0.004 0.000 1.380 314 N HN 0.758 nan 8.380 nan 0.000 0.505 315 A N 5.723 128.178 122.820 -0.609 0.000 1.883 315 A HA -0.080 4.243 4.320 0.005 0.000 0.217 315 A C -0.463 176.729 177.584 -0.654 0.000 1.186 315 A CA 1.154 52.823 52.037 -0.612 0.000 0.624 315 A CB -1.101 17.607 19.000 -0.488 0.000 0.822 315 A HN 0.499 nan 8.150 nan 0.000 0.444 316 P HA -0.140 nan 4.420 nan 0.000 0.219 316 P C 1.213 178.235 177.300 -0.463 0.000 1.146 316 P CA 1.030 63.790 63.100 -0.568 0.000 0.808 316 P CB -0.091 31.281 31.700 -0.546 0.000 0.779 317 R N -1.433 118.749 120.500 -0.529 0.000 2.275 317 R HA 0.206 4.549 4.340 0.005 0.000 0.199 317 R C 1.668 177.633 176.300 -0.559 0.000 0.989 317 R CA 0.713 56.444 56.100 -0.614 0.000 1.016 317 R CB -0.190 29.473 30.300 -1.062 0.000 0.918 317 R HN 0.329 nan 8.270 nan 0.000 0.473 318 L N -0.633 120.289 121.223 -0.502 0.000 2.885 318 L HA 0.284 4.627 4.340 0.005 0.000 0.251 318 L C 0.327 176.886 176.870 -0.518 0.000 1.071 318 L CA 0.124 54.675 54.840 -0.480 0.000 0.956 318 L CB 0.543 42.275 42.059 -0.545 0.000 1.483 318 L HN -0.067 nan 8.230 nan 0.000 0.525 319 L N -0.647 120.270 121.223 -0.509 0.000 2.319 319 L HA 0.672 5.015 4.340 0.005 0.000 0.267 319 L C 0.248 176.938 176.870 -0.300 0.000 1.011 319 L CA -0.712 53.842 54.840 -0.477 0.000 0.818 319 L CB 1.735 43.498 42.059 -0.494 0.000 1.316 319 L HN -0.105 nan 8.230 nan 0.000 0.432 320 G N -0.275 108.391 108.800 -0.223 0.000 2.511 320 G HA2 0.331 4.294 3.960 0.005 0.000 0.316 320 G HA3 0.331 4.294 3.960 0.005 0.000 0.316 320 G C 0.184 175.018 174.900 -0.110 0.000 1.210 320 G CA -0.274 44.739 45.100 -0.144 0.000 0.969 320 G HN 0.715 nan 8.290 nan 0.000 0.492 321 E N -0.670 119.484 120.200 -0.076 0.000 2.265 321 E HA -0.104 4.249 4.350 0.005 0.000 0.196 321 E C 2.573 179.164 176.600 -0.014 0.000 0.996 321 E CA 1.649 58.019 56.400 -0.049 0.000 0.832 321 E CB -0.037 29.638 29.700 -0.043 0.000 0.756 321 E HN 0.561 nan 8.360 nan 0.000 0.491 322 T N -1.927 112.630 114.554 0.005 0.000 3.118 322 T HA 0.052 4.404 4.350 0.005 0.000 0.260 322 T C 1.221 175.981 174.700 0.100 0.000 1.139 322 T CA 0.324 62.462 62.100 0.063 0.000 1.085 322 T CB -0.166 68.754 68.868 0.088 0.000 0.934 322 T HN 0.227 nan 8.240 nan 0.000 0.518 323 L N -0.880 120.363 121.223 0.033 0.000 5.081 323 L HA -0.171 4.172 4.340 0.005 0.000 0.423 323 L C 0.428 177.331 176.870 0.054 0.000 1.019 323 L CA 0.685 55.542 54.840 0.029 0.000 1.223 323 L CB -1.898 40.217 42.059 0.094 0.000 1.940 323 L HN 0.497 nan 8.230 nan 0.000 0.675 324 E N 0.565 120.780 120.200 0.025 0.000 2.338 324 E HA 0.251 4.604 4.350 0.005 0.000 0.272 324 E C -0.063 176.409 176.600 -0.214 0.000 1.029 324 E CA -0.676 55.577 56.400 -0.246 0.000 0.872 324 E CB 0.562 30.116 29.700 -0.243 0.000 1.015 324 E HN 0.078 nan 8.360 nan 0.000 0.417 325 F N 3.408 123.160 119.950 -0.329 0.000 2.578 325 F HA 0.010 4.540 4.527 0.004 0.000 0.376 325 F C 1.776 177.453 175.800 -0.204 0.000 1.085 325 F CA 0.416 58.248 58.000 -0.280 0.000 1.260 325 F CB 0.554 39.374 39.000 -0.300 0.000 1.095 325 F HN 0.527 nan 8.300 nan 0.000 0.573 326 R N 1.633 122.094 120.500 -0.065 0.000 2.120 326 R HA -0.113 4.230 4.340 0.005 0.000 0.234 326 R C 0.528 176.837 176.300 0.014 0.000 1.123 326 R CA 1.179 57.249 56.100 -0.050 0.000 0.975 326 R CB -0.005 30.239 30.300 -0.094 0.000 0.866 326 R HN 0.585 nan 8.270 nan 0.000 0.446 327 E N -0.717 119.536 120.200 0.087 0.000 2.624 327 E HA 0.241 4.593 4.350 0.005 0.000 0.210 327 E C -0.674 176.022 176.600 0.160 0.000 0.997 327 E CA -0.060 56.412 56.400 0.120 0.000 0.999 327 E CB 1.708 31.501 29.700 0.155 0.000 1.040 327 E HN 0.164 nan 8.360 nan 0.000 0.469 328 A N 1.586 124.491 122.820 0.141 0.000 2.768 328 A HA 0.242 4.565 4.320 0.005 0.000 0.299 328 A C -0.275 177.304 177.584 -0.009 0.000 1.171 328 A CA -0.631 51.453 52.037 0.078 0.000 0.759 328 A CB 0.397 19.461 19.000 0.107 0.000 1.267 328 A HN 0.064 nan 8.150 nan 0.000 0.421 329 E N 1.481 121.668 120.200 -0.023 0.000 2.414 329 E HA 0.358 4.711 4.350 0.005 0.000 0.263 329 E C 1.269 177.823 176.600 -0.077 0.000 1.000 329 E CA 1.149 57.516 56.400 -0.055 0.000 0.914 329 E CB 0.293 29.982 29.700 -0.018 0.000 0.948 329 E HN 1.757 nan 8.360 nan 0.000 0.444 330 G N 3.153 111.871 108.800 -0.138 0.000 2.162 330 G HA2 -0.278 3.685 3.960 0.005 0.000 0.260 330 G HA3 -0.278 3.685 3.960 0.005 0.000 0.260 330 G C -0.278 174.568 174.900 -0.089 0.000 0.976 330 G CA 0.398 45.484 45.100 -0.024 0.000 0.655 330 G HN 0.483 nan 8.290 nan 0.000 0.533 331 L N 0.388 121.413 121.223 -0.331 0.000 2.329 331 L HA 0.879 5.222 4.340 0.005 0.000 0.279 331 L C -0.631 176.082 176.870 -0.262 0.000 1.014 331 L CA -1.659 53.077 54.840 -0.173 0.000 0.814 331 L CB 1.101 43.031 42.059 -0.214 0.000 1.257 331 L HN 0.125 nan 8.230 nan 0.000 0.424 332 Y N 2.905 123.378 120.300 0.290 0.000 2.576 332 Y HA 0.849 5.401 4.550 0.004 0.000 0.346 332 Y C -0.043 176.031 175.900 0.291 0.000 1.018 332 Y CA -0.775 57.479 58.100 0.257 0.000 1.050 332 Y CB 1.965 40.493 38.460 0.114 0.000 1.280 332 Y HN 0.703 nan 8.280 nan 0.000 0.474 333 A N 0.944 123.918 122.820 0.257 0.000 2.413 333 A HA 0.999 5.322 4.320 0.005 0.000 0.307 333 A C -1.245 176.410 177.584 0.118 0.000 1.087 333 A CA -0.312 51.828 52.037 0.171 0.000 0.750 333 A CB 1.280 20.304 19.000 0.041 0.000 1.296 333 A HN 1.085 nan 8.150 nan 0.000 0.423 334 A N 0.144 123.038 122.820 0.123 0.000 2.587 334 A HA 0.968 5.291 4.320 0.005 0.000 0.293 334 A C 0.465 178.120 177.584 0.118 0.000 1.087 334 A CA 0.264 52.369 52.037 0.114 0.000 0.692 334 A CB 0.759 19.830 19.000 0.119 0.000 1.291 334 A HN 2.902 nan 8.150 nan 0.000 0.407 335 G N -0.821 108.051 108.800 0.120 0.000 2.593 335 G HA2 0.037 3.999 3.960 0.005 0.000 0.237 335 G HA3 0.037 3.999 3.960 0.005 0.000 0.237 335 G C 0.890 175.864 174.900 0.122 0.000 1.312 335 G CA 0.383 45.559 45.100 0.126 0.000 0.896 335 G HN 1.674 nan 8.290 nan 0.000 0.574 336 V N 0.265 120.253 119.914 0.123 0.000 2.324 336 V HA -0.204 3.919 4.120 0.005 0.000 0.250 336 V C 2.992 179.183 176.094 0.162 0.000 1.060 336 V CA 2.863 65.236 62.300 0.122 0.000 1.042 336 V CB -0.792 31.098 31.823 0.112 0.000 0.650 336 V HN 0.820 nan 8.190 nan 0.000 0.450 337 L N 0.974 122.288 121.223 0.151 0.000 2.081 337 L HA -0.145 4.198 4.340 0.005 0.000 0.212 337 L C 2.216 179.180 176.870 0.156 0.000 1.080 337 L CA 2.414 57.346 54.840 0.155 0.000 0.754 337 L CB -0.722 41.413 42.059 0.128 0.000 0.893 337 L HN 0.248 nan 8.230 nan 0.000 0.433 338 A N -1.466 121.431 122.820 0.128 0.000 2.238 338 A HA 0.423 4.746 4.320 0.005 0.000 0.208 338 A C 1.644 179.323 177.584 0.158 0.000 1.177 338 A CA 0.623 52.708 52.037 0.080 0.000 0.804 338 A CB -0.740 18.287 19.000 0.044 0.000 0.823 338 A HN 0.883 nan 8.150 nan 0.000 0.482 339 G N -1.381 107.572 108.800 0.254 0.000 2.148 339 G HA2 -0.077 3.886 3.960 0.005 0.000 0.203 339 G HA3 -0.077 3.886 3.960 0.005 0.000 0.203 339 G C 0.330 175.340 174.900 0.183 0.000 0.993 339 G CA 0.400 45.714 45.100 0.357 0.000 0.661 339 G HN 1.633 nan 8.290 nan 0.000 0.518 340 V N -2.304 117.681 119.914 0.119 0.000 3.302 340 V HA 0.998 5.120 4.120 0.005 0.000 0.316 340 V C -0.109 176.011 176.094 0.044 0.000 1.111 340 V CA -0.476 61.868 62.300 0.073 0.000 1.029 340 V CB 1.999 33.872 31.823 0.083 0.000 1.170 340 V HN 0.640 nan 8.190 nan 0.000 0.452 341 E N -0.062 120.176 120.200 0.063 0.000 2.292 341 E HA 0.703 5.056 4.350 0.005 0.000 0.272 341 E C -0.462 176.161 176.600 0.037 0.000 0.881 341 E CA 0.404 56.843 56.400 0.066 0.000 0.754 341 E CB 1.393 31.169 29.700 0.126 0.000 1.201 341 E HN 2.101 nan 8.360 nan 0.000 0.425 342 G N 2.512 111.277 108.800 -0.059 0.000 2.592 342 G HA2 -0.156 3.807 3.960 0.005 0.000 0.685 342 G HA3 -0.156 3.807 3.960 0.005 0.000 0.685 342 G C -0.287 174.571 174.900 -0.070 0.000 1.278 342 G CA -0.329 44.677 45.100 -0.157 0.000 0.822 342 G HN 0.374 nan 8.290 nan 0.000 0.652 343 Y N 0.875 121.177 120.300 0.003 0.000 2.145 343 Y HA 0.009 4.562 4.550 0.004 0.000 0.286 343 Y C 2.921 178.848 175.900 0.045 0.000 1.145 343 Y CA 1.904 60.018 58.100 0.024 0.000 1.148 343 Y CB -0.493 37.952 38.460 -0.025 0.000 0.981 343 Y HN 0.576 nan 8.280 nan 0.000 0.507 344 L N 0.423 121.753 121.223 0.178 0.000 2.044 344 L HA -0.125 4.218 4.340 0.005 0.000 0.205 344 L C 1.923 178.844 176.870 0.085 0.000 1.075 344 L CA 1.760 56.667 54.840 0.112 0.000 0.747 344 L CB -0.656 41.435 42.059 0.053 0.000 0.903 344 L HN 0.044 nan 8.230 nan 0.000 0.435 345 E N -0.387 119.850 120.200 0.063 0.000 2.118 345 E HA -0.175 4.178 4.350 0.005 0.000 0.195 345 E C 2.228 178.885 176.600 0.095 0.000 0.992 345 E CA 1.564 58.001 56.400 0.061 0.000 0.804 345 E CB -0.318 29.414 29.700 0.054 0.000 0.741 345 E HN 0.481 nan 8.360 nan 0.000 0.458 346 S N 0.247 116.017 115.700 0.116 0.000 2.356 346 S HA -0.162 4.311 4.470 0.005 0.000 0.223 346 S C 2.105 176.799 174.600 0.158 0.000 1.032 346 S CA 1.006 59.290 58.200 0.139 0.000 1.005 346 S CB -0.416 62.881 63.200 0.161 0.000 0.867 346 S HN 0.434 nan 8.310 nan 0.000 0.449 347 A N 1.515 124.438 122.820 0.171 0.000 1.940 347 A HA 0.065 4.387 4.320 0.005 0.000 0.219 347 A C 2.318 180.022 177.584 0.199 0.000 1.176 347 A CA 1.791 53.938 52.037 0.182 0.000 0.631 347 A CB -1.007 18.101 19.000 0.180 0.000 0.814 347 A HN 0.522 nan 8.150 nan 0.000 0.446 348 A N -0.448 122.471 122.820 0.165 0.000 1.929 348 A HA -0.029 4.293 4.320 0.005 0.000 0.216 348 A C 2.393 180.138 177.584 0.267 0.000 1.176 348 A CA 2.252 54.404 52.037 0.192 0.000 0.628 348 A CB -1.183 17.867 19.000 0.084 0.000 0.816 348 A HN 0.726 nan 8.150 nan 0.000 0.444 349 T N -2.873 111.793 114.554 0.187 0.000 2.904 349 T HA 0.077 4.429 4.350 0.005 0.000 0.267 349 T C 1.921 176.719 174.700 0.164 0.000 1.059 349 T CA 1.359 63.557 62.100 0.163 0.000 1.137 349 T CB -0.789 68.150 68.868 0.118 0.000 0.879 349 T HN 0.363 nan 8.240 nan 0.000 0.467 350 G N 1.030 109.937 108.800 0.178 0.000 2.446 350 G HA2 -0.186 3.777 3.960 0.005 0.000 0.217 350 G HA3 -0.186 3.777 3.960 0.005 0.000 0.217 350 G C 1.241 176.251 174.900 0.184 0.000 1.168 350 G CA 0.883 46.081 45.100 0.163 0.000 0.771 350 G HN 0.515 nan 8.290 nan 0.000 0.551 351 F N 1.105 121.128 119.950 0.121 0.000 2.065 351 F HA -0.104 4.425 4.527 0.004 0.000 0.298 351 F C 2.256 178.136 175.800 0.132 0.000 1.112 351 F CA 1.772 59.857 58.000 0.142 0.000 1.212 351 F CB -0.493 38.619 39.000 0.187 0.000 0.975 351 F HN 0.126 nan 8.300 nan 0.000 0.476 352 L N 1.073 122.259 121.223 -0.063 0.000 2.017 352 L HA -0.022 4.321 4.340 0.005 0.000 0.208 352 L C 2.523 179.298 176.870 -0.159 0.000 1.073 352 L CA 2.162 56.897 54.840 -0.176 0.000 0.745 352 L CB -1.540 40.570 42.059 0.086 0.000 0.894 352 L HN 0.237 nan 8.230 nan 0.000 0.432 353 A N -0.671 122.110 122.820 -0.065 0.000 1.902 353 A HA -0.079 4.244 4.320 0.005 0.000 0.217 353 A C 2.328 179.724 177.584 -0.313 0.000 1.181 353 A CA 1.566 53.532 52.037 -0.117 0.000 0.623 353 A CB -1.553 17.460 19.000 0.022 0.000 0.818 353 A HN 0.535 nan 8.150 nan 0.000 0.443 354 G N -0.292 108.383 108.800 -0.208 0.000 2.408 354 G HA2 -0.104 3.858 3.960 0.005 0.000 0.217 354 G HA3 -0.104 3.858 3.960 0.005 0.000 0.217 354 G C 1.470 176.209 174.900 -0.268 0.000 1.150 354 G CA 1.157 46.131 45.100 -0.210 0.000 0.776 354 G HN 0.494 nan 8.290 nan 0.000 0.542 355 L N 1.255 122.274 121.223 -0.340 0.000 2.017 355 L HA 0.012 4.354 4.340 0.005 0.000 0.208 355 L C 2.193 178.919 176.870 -0.240 0.000 1.073 355 L CA 1.919 56.560 54.840 -0.331 0.000 0.745 355 L CB -0.672 41.087 42.059 -0.501 0.000 0.894 355 L HN 0.067 nan 8.230 nan 0.000 0.432 356 N N 0.056 118.611 118.700 -0.242 0.000 2.216 356 N HA -0.061 4.681 4.740 0.005 0.000 0.183 356 N C 1.824 177.162 175.510 -0.285 0.000 1.017 356 N CA 1.375 54.325 53.050 -0.166 0.000 0.861 356 N CB -0.404 38.080 38.487 -0.006 0.000 0.986 356 N HN 0.528 nan 8.380 nan 0.000 0.428 357 A N 1.040 123.473 122.820 -0.645 0.000 1.902 357 A HA 0.004 4.327 4.320 0.005 0.000 0.217 357 A C 2.362 179.821 177.584 -0.209 0.000 1.181 357 A CA 1.909 53.606 52.037 -0.566 0.000 0.623 357 A CB -0.788 17.837 19.000 -0.626 0.000 0.818 357 A HN 0.305 nan 8.150 nan 0.000 0.443 358 A N -0.207 122.496 122.820 -0.196 0.000 1.877 358 A HA -0.161 4.161 4.320 0.005 0.000 0.216 358 A C 2.232 179.764 177.584 -0.087 0.000 1.186 358 A CA 1.534 53.496 52.037 -0.126 0.000 0.620 358 A CB -0.502 18.416 19.000 -0.136 0.000 0.822 358 A HN 0.540 nan 8.150 nan 0.000 0.443 359 R N -0.639 119.808 120.500 -0.088 0.000 2.091 359 R HA -0.189 4.154 4.340 0.005 0.000 0.238 359 R C 2.312 178.605 176.300 -0.012 0.000 1.136 359 R CA 1.782 57.853 56.100 -0.049 0.000 0.959 359 R CB -0.245 30.030 30.300 -0.042 0.000 0.856 359 R HN 0.468 nan 8.270 nan 0.000 0.437 360 K N 0.967 121.376 120.400 0.014 0.000 2.026 360 K HA -0.090 4.233 4.320 0.005 0.000 0.208 360 K C 1.869 178.490 176.600 0.034 0.000 1.048 360 K CA 1.769 58.092 56.287 0.061 0.000 0.929 360 K CB -0.416 32.178 32.500 0.157 0.000 0.713 360 K HN 0.155 nan 8.250 nan 0.000 0.439 361 A N 0.204 123.032 122.820 0.014 0.000 2.024 361 A HA -0.071 4.252 4.320 0.005 0.000 0.220 361 A C 1.872 179.453 177.584 -0.005 0.000 1.164 361 A CA 1.469 53.508 52.037 0.004 0.000 0.643 361 A CB -0.508 18.484 19.000 -0.013 0.000 0.806 361 A HN 0.339 nan 8.150 nan 0.000 0.451 362 L N -1.223 119.993 121.223 -0.013 0.000 2.628 362 L HA 0.264 4.607 4.340 0.005 0.000 0.229 362 L C 1.451 178.316 176.870 -0.009 0.000 1.137 362 L CA 0.410 55.239 54.840 -0.017 0.000 0.909 362 L CB -0.012 42.029 42.059 -0.030 0.000 1.137 362 L HN 0.523 nan 8.230 nan 0.000 0.470 363 G N 0.767 109.568 108.800 0.001 0.000 2.176 363 G HA2 -0.266 3.697 3.960 0.005 0.000 0.252 363 G HA3 -0.266 3.697 3.960 0.005 0.000 0.252 363 G C -0.011 174.891 174.900 0.004 0.000 1.024 363 G CA 0.080 45.183 45.100 0.006 0.000 0.755 363 G HN 0.265 nan 8.290 nan 0.000 0.507 364 L N 0.485 121.710 121.223 0.004 0.000 2.330 364 L HA 0.608 4.951 4.340 0.005 0.000 0.271 364 L C -1.623 175.257 176.870 0.017 0.000 1.013 364 L CA -2.587 52.254 54.840 0.002 0.000 0.816 364 L CB 1.736 43.786 42.059 -0.014 0.000 1.287 364 L HN -0.076 nan 8.230 nan 0.000 0.435 365 P HA 0.254 nan 4.420 nan 0.000 0.274 365 P C -2.686 174.640 177.300 0.043 0.000 1.231 365 P CA -1.447 61.672 63.100 0.032 0.000 0.790 365 P CB -0.144 31.571 31.700 0.026 0.000 0.951 366 P HA 0.130 nan 4.420 nan 0.000 0.272 366 P C -0.476 176.880 177.300 0.094 0.000 1.230 366 P CA -0.066 63.086 63.100 0.086 0.000 0.788 366 P CB 0.326 32.090 31.700 0.107 0.000 0.949 367 V N -2.826 117.168 119.914 0.133 0.000 3.102 367 V HA 0.986 5.109 4.120 0.005 0.000 0.312 367 V C -1.038 175.205 176.094 0.249 0.000 1.135 367 V CA -1.443 60.990 62.300 0.222 0.000 1.022 367 V CB 1.596 33.602 31.823 0.306 0.000 1.056 367 V HN 0.714 nan 8.190 nan 0.000 0.436 368 A N 2.059 125.015 122.820 0.227 0.000 2.486 368 A HA 0.985 5.308 4.320 0.005 0.000 0.300 368 A C -3.128 174.201 177.584 -0.425 0.000 1.048 368 A CA -1.696 50.332 52.037 -0.014 0.000 0.696 368 A CB 1.662 20.642 19.000 -0.033 0.000 1.278 368 A HN 0.758 nan 8.150 nan 0.000 0.405 369 P HA 0.316 nan 4.420 nan 0.000 0.271 369 P C -2.528 174.409 177.300 -0.605 0.000 1.233 369 P CA -0.794 61.420 63.100 -1.478 0.000 0.789 369 P CB -0.169 31.020 31.700 -0.852 0.000 0.951 370 P HA 0.075 nan 4.420 nan 0.000 0.276 370 P C 0.543 177.800 177.300 -0.071 0.000 1.252 370 P CA -0.205 62.808 63.100 -0.145 0.000 0.802 370 P CB 0.586 32.261 31.700 -0.041 0.000 1.035 371 E N 0.280 120.462 120.200 -0.029 0.000 2.338 371 E HA -0.204 4.149 4.350 0.005 0.000 0.197 371 E C 0.773 177.388 176.600 0.025 0.000 1.007 371 E CA 1.158 57.556 56.400 -0.004 0.000 0.849 371 E CB -0.414 29.290 29.700 0.006 0.000 0.774 371 E HN 0.330 nan 8.360 nan 0.000 0.506 372 E N 1.398 121.621 120.200 0.038 0.000 2.216 372 E HA -0.042 4.310 4.350 0.005 0.000 0.192 372 E C 0.675 177.320 176.600 0.074 0.000 0.988 372 E CA 0.893 57.333 56.400 0.066 0.000 0.834 372 E CB 0.142 29.885 29.700 0.071 0.000 0.772 372 E HN 0.358 nan 8.360 nan 0.000 0.479 373 S N -0.253 115.480 115.700 0.056 0.000 2.592 373 S HA 0.132 4.604 4.470 0.005 0.000 0.271 373 S C 1.023 175.605 174.600 -0.029 0.000 1.326 373 S CA -0.634 57.588 58.200 0.036 0.000 1.024 373 S CB 1.283 64.567 63.200 0.140 0.000 0.921 373 S HN -0.007 nan 8.310 nan 0.000 0.527 374 M N 1.746 121.280 119.600 -0.110 0.000 2.132 374 M HA 0.075 4.558 4.480 0.005 0.000 0.263 374 M C 1.620 177.843 176.300 -0.128 0.000 1.065 374 M CA 1.351 56.565 55.300 -0.143 0.000 1.122 374 M CB -1.229 31.230 32.600 -0.234 0.000 1.365 374 M HN 0.805 nan 8.290 nan 0.000 0.411 375 L N -0.013 121.111 121.223 -0.164 0.000 2.046 375 L HA 0.047 4.390 4.340 0.005 0.000 0.208 375 L C 2.159 179.003 176.870 -0.044 0.000 1.077 375 L CA 2.300 57.088 54.840 -0.087 0.000 0.747 375 L CB -1.519 40.502 42.059 -0.065 0.000 0.896 375 L HN 0.398 nan 8.230 nan 0.000 0.432 376 G N -1.056 107.711 108.800 -0.056 0.000 2.421 376 G HA2 -0.224 3.739 3.960 0.005 0.000 0.216 376 G HA3 -0.224 3.739 3.960 0.005 0.000 0.216 376 G C 1.520 176.398 174.900 -0.035 0.000 1.171 376 G CA 0.589 45.643 45.100 -0.076 0.000 0.775 376 G HN 0.594 nan 8.290 nan 0.000 0.543 377 G N 0.597 109.386 108.800 -0.020 0.000 2.422 377 G HA2 -0.110 3.852 3.960 0.005 0.000 0.218 377 G HA3 -0.110 3.852 3.960 0.005 0.000 0.218 377 G C 1.735 176.648 174.900 0.022 0.000 1.146 377 G CA 1.013 46.117 45.100 0.007 0.000 0.769 377 G HN 0.397 nan 8.290 nan 0.000 0.547 378 L N 1.431 122.649 121.223 -0.007 0.000 2.027 378 L HA -0.036 4.307 4.340 0.005 0.000 0.206 378 L C 3.001 179.915 176.870 0.072 0.000 1.074 378 L CA 2.184 57.032 54.840 0.012 0.000 0.745 378 L CB -0.482 41.567 42.059 -0.016 0.000 0.898 378 L HN 0.197 nan 8.230 nan 0.000 0.433 379 V N -3.150 116.786 119.914 0.037 0.000 2.667 379 V HA -0.111 4.012 4.120 0.005 0.000 0.252 379 V C 2.557 178.659 176.094 0.013 0.000 1.065 379 V CA 1.337 63.653 62.300 0.028 0.000 1.083 379 V CB -0.948 30.879 31.823 0.008 0.000 0.692 379 V HN 0.406 nan 8.190 nan 0.000 0.468 380 R N -0.884 119.627 120.500 0.018 0.000 2.081 380 R HA -0.103 4.239 4.340 0.005 0.000 0.235 380 R C 2.282 178.592 176.300 0.018 0.000 1.131 380 R CA 2.163 58.264 56.100 0.001 0.000 0.960 380 R CB -0.599 29.706 30.300 0.007 0.000 0.856 380 R HN 0.688 nan 8.270 nan 0.000 0.436 381 Y N 1.370 121.645 120.300 -0.041 0.000 2.145 381 Y HA -0.187 4.365 4.550 0.004 0.000 0.286 381 Y C 1.937 177.827 175.900 -0.018 0.000 1.145 381 Y CA 1.488 59.575 58.100 -0.022 0.000 1.148 381 Y CB -0.164 38.294 38.460 -0.003 0.000 0.981 381 Y HN -0.045 nan 8.280 nan 0.000 0.507 382 L N -0.274 121.045 121.223 0.159 0.000 2.043 382 L HA -0.299 4.044 4.340 0.005 0.000 0.212 382 L C 2.682 179.398 176.870 -0.258 0.000 1.075 382 L CA 1.461 56.293 54.840 -0.012 0.000 0.752 382 L CB -0.989 41.081 42.059 0.019 0.000 0.891 382 L HN 0.365 nan 8.230 nan 0.000 0.432 383 A N -0.813 121.891 122.820 -0.193 0.000 2.067 383 A HA -0.086 4.237 4.320 0.005 0.000 0.217 383 A C 2.001 179.428 177.584 -0.260 0.000 1.156 383 A CA 1.690 53.588 52.037 -0.231 0.000 0.683 383 A CB -0.382 18.523 19.000 -0.159 0.000 0.808 383 A HN 0.516 nan 8.150 nan 0.000 0.455 384 T N -4.378 110.016 114.554 -0.267 0.000 3.144 384 T HA 0.619 4.972 4.350 0.005 0.000 0.290 384 T C 0.577 175.080 174.700 -0.329 0.000 0.966 384 T CA 0.461 62.407 62.100 -0.256 0.000 0.907 384 T CB -0.285 68.475 68.868 -0.179 0.000 1.152 384 T HN 0.542 nan 8.240 nan 0.000 0.532 385 A N 2.080 124.610 122.820 -0.482 0.000 2.366 385 A HA 0.470 4.793 4.320 0.005 0.000 0.250 385 A C 0.635 178.026 177.584 -0.323 0.000 1.099 385 A CA -0.516 51.170 52.037 -0.584 0.000 0.794 385 A CB -0.144 18.248 19.000 -1.014 0.000 1.056 385 A HN 0.407 nan 8.150 nan 0.000 0.499 386 N N 0.700 119.258 118.700 -0.237 0.000 2.374 386 N HA 0.033 4.776 4.740 0.005 0.000 0.269 386 N C -1.733 173.749 175.510 -0.047 0.000 1.310 386 N CA -1.223 51.742 53.050 -0.141 0.000 0.877 386 N CB 0.819 39.229 38.487 -0.129 0.000 1.096 386 N HN 0.221 nan 8.380 nan 0.000 0.484 387 P HA 0.012 nan 4.420 nan 0.000 0.224 387 P C -0.270 177.069 177.300 0.065 0.000 1.157 387 P CA 0.730 63.800 63.100 -0.050 0.000 0.799 387 P CB 0.295 31.921 31.700 -0.123 0.000 0.809 388 E N 0.766 120.997 120.200 0.052 0.000 2.265 388 E HA 0.273 4.625 4.350 0.005 0.000 0.272 388 E C 1.229 177.905 176.600 0.127 0.000 1.067 388 E CA 0.405 56.857 56.400 0.087 0.000 0.900 388 E CB -0.507 29.224 29.700 0.053 0.000 1.017 388 E HN 0.244 nan 8.360 nan 0.000 0.431 389 G N 4.310 113.209 108.800 0.166 0.000 2.225 389 G HA2 -0.335 3.628 3.960 0.005 0.000 0.267 389 G HA3 -0.335 3.628 3.960 0.005 0.000 0.267 389 G C 0.185 175.217 174.900 0.221 0.000 1.024 389 G CA 0.246 45.455 45.100 0.182 0.000 0.784 389 G HN 0.546 nan 8.290 nan 0.000 0.507 390 F N 1.162 121.182 119.950 0.116 0.000 2.623 390 F HA 0.358 4.889 4.527 0.006 0.000 0.386 390 F C 0.614 176.562 175.800 0.248 0.000 1.068 390 F CA 0.326 58.405 58.000 0.131 0.000 1.265 390 F CB 0.615 39.673 39.000 0.096 0.000 1.026 390 F HN 0.299 nan 8.300 nan 0.000 0.568 391 Q N 6.838 126.256 119.800 -0.636 0.000 2.351 391 Q HA 0.433 4.776 4.340 0.005 0.000 0.273 391 Q C -2.442 172.885 176.000 -1.122 0.000 1.077 391 Q CA -2.216 53.212 55.803 -0.626 0.000 0.843 391 Q CB 1.349 29.920 28.738 -0.277 0.000 1.367 391 Q HN 0.405 nan 8.270 nan 0.000 0.449 392 P HA 0.065 nan 4.420 nan 0.000 0.267 392 P C -0.646 176.435 177.300 -0.364 0.000 1.200 392 P CA -0.010 62.732 63.100 -0.597 0.000 0.772 392 P CB 0.417 31.822 31.700 -0.492 0.000 0.855 393 M N 4.006 123.481 119.600 -0.209 0.000 2.393 393 M HA 0.452 4.934 4.480 0.005 0.000 0.316 393 M C -1.456 174.751 176.300 -0.155 0.000 1.087 393 M CA -1.226 53.903 55.300 -0.285 0.000 0.937 393 M CB 1.037 33.434 32.600 -0.339 0.000 1.668 393 M HN 0.370 nan 8.290 nan 0.000 0.438 394 Y N 1.814 122.014 120.300 -0.167 0.000 2.602 394 Y HA 0.941 5.494 4.550 0.004 0.000 0.330 394 Y C -0.074 175.724 175.900 -0.169 0.000 1.114 394 Y CA -1.697 56.327 58.100 -0.127 0.000 1.182 394 Y CB 0.406 38.820 38.460 -0.077 0.000 1.305 394 Y HN 0.879 nan 8.280 nan 0.000 0.502 395 A N 2.974 125.866 122.820 0.121 0.000 2.546 395 A HA 0.320 4.643 4.320 0.005 0.000 0.243 395 A C -0.154 177.389 177.584 -0.068 0.000 1.063 395 A CA 0.237 52.242 52.037 -0.054 0.000 0.757 395 A CB -0.908 18.027 19.000 -0.108 0.000 0.991 395 A HN 0.937 nan 8.150 nan 0.000 0.503 396 N N 0.691 119.246 118.700 -0.241 0.000 2.961 396 N HA 0.064 4.807 4.740 0.005 0.000 0.245 396 N C -0.318 175.035 175.510 -0.262 0.000 1.404 396 N CA -0.754 52.133 53.050 -0.271 0.000 0.880 396 N CB 0.358 38.739 38.487 -0.177 0.000 1.461 396 N HN 0.553 nan 8.380 nan 0.000 0.510 397 W N 0.127 121.428 121.300 0.002 0.000 2.699 397 W HA 0.195 4.858 4.660 0.005 0.000 0.249 397 W C 2.143 178.658 176.519 -0.007 0.000 1.280 397 W CA 0.369 57.718 57.345 0.007 0.000 1.345 397 W CB 0.067 29.543 29.460 0.027 0.000 1.128 397 W HN 0.842 nan 8.180 nan 0.000 0.642 398 G N 0.545 109.431 108.800 0.142 0.000 2.470 398 G HA2 -0.207 3.756 3.960 0.005 0.000 0.220 398 G HA3 -0.207 3.756 3.960 0.005 0.000 0.220 398 G C 1.324 176.260 174.900 0.060 0.000 1.121 398 G CA 0.525 45.675 45.100 0.083 0.000 0.766 398 G HN 0.243 nan 8.290 nan 0.000 0.553 399 L N 0.249 121.482 121.223 0.018 0.000 2.395 399 L HA 0.149 4.491 4.340 0.005 0.000 0.218 399 L C 0.973 177.882 176.870 0.065 0.000 1.130 399 L CA -0.039 54.804 54.840 0.006 0.000 0.826 399 L CB -0.284 41.731 42.059 -0.073 0.000 0.941 399 L HN 0.216 nan 8.230 nan 0.000 0.451 400 V N -4.967 115.019 119.914 0.119 0.000 2.960 400 V HA 0.618 4.741 4.120 0.005 0.000 0.315 400 V C -2.693 173.474 176.094 0.121 0.000 1.087 400 V CA -2.652 59.724 62.300 0.127 0.000 0.982 400 V CB 1.385 33.314 31.823 0.178 0.000 1.039 400 V HN -0.198 nan 8.190 nan 0.000 0.437 401 P HA 0.304 nan 4.420 nan 0.000 0.269 401 P C -2.588 174.751 177.300 0.065 0.000 1.209 401 P CA -0.649 62.492 63.100 0.070 0.000 0.776 401 P CB -0.228 31.503 31.700 0.052 0.000 0.876 402 P HA 0.119 nan 4.420 nan 0.000 0.276 402 P C -0.824 176.477 177.300 0.002 0.000 1.261 402 P CA -0.144 62.968 63.100 0.021 0.000 0.800 402 P CB 0.675 32.391 31.700 0.025 0.000 1.066 403 V N 1.906 121.802 119.914 -0.029 0.000 2.407 403 V HA 0.126 4.248 4.120 0.005 0.000 0.278 403 V C 0.760 176.841 176.094 -0.021 0.000 1.037 403 V CA -0.463 61.821 62.300 -0.026 0.000 0.900 403 V CB 0.777 32.572 31.823 -0.047 0.000 0.983 403 V HN 0.483 nan 8.190 nan 0.000 0.459 404 E N 3.181 123.376 120.200 -0.009 0.000 2.373 404 E HA 0.580 4.933 4.350 0.005 0.000 0.267 404 E C 0.450 177.044 176.600 -0.012 0.000 1.032 404 E CA 0.407 56.803 56.400 -0.006 0.000 0.889 404 E CB 1.543 31.244 29.700 0.002 0.000 0.984 404 E HN 0.977 nan 8.360 nan 0.000 0.425 405 G N 1.336 110.128 108.800 -0.012 0.000 2.359 405 G HA2 0.025 3.988 3.960 0.005 0.000 0.293 405 G HA3 0.025 3.988 3.960 0.005 0.000 0.293 405 G C -0.316 174.575 174.900 -0.016 0.000 1.300 405 G CA -0.872 44.220 45.100 -0.014 0.000 0.888 405 G HN 0.399 nan 8.290 nan 0.000 0.541 406 R N -0.033 120.458 120.500 -0.015 0.000 2.437 406 R HA 0.179 4.522 4.340 0.005 0.000 0.257 406 R C 1.458 177.746 176.300 -0.019 0.000 0.927 406 R CA -0.305 55.785 56.100 -0.016 0.000 1.078 406 R CB 0.256 30.548 30.300 -0.012 0.000 1.161 406 R HN 0.658 nan 8.270 nan 0.000 0.529 407 M N 0.298 119.885 119.600 -0.021 0.000 2.207 407 M HA 0.265 4.748 4.480 0.005 0.000 0.311 407 M C 0.612 176.894 176.300 -0.030 0.000 1.127 407 M CA 0.237 55.522 55.300 -0.024 0.000 1.181 407 M CB -0.320 32.264 32.600 -0.026 0.000 1.409 407 M HN -0.028 nan 8.290 nan 0.000 0.461 408 G N 0.853 109.635 108.800 -0.030 0.000 2.690 408 G HA2 0.042 4.005 3.960 0.005 0.000 0.239 408 G HA3 0.042 4.005 3.960 0.005 0.000 0.239 408 G C 0.578 175.451 174.900 -0.045 0.000 1.233 408 G CA -0.103 44.978 45.100 -0.032 0.000 0.847 408 G HN 1.051 nan 8.290 nan 0.000 0.588 409 K N 0.266 120.639 120.400 -0.044 0.000 2.032 409 K HA -0.162 4.161 4.320 0.005 0.000 0.209 409 K C 2.335 178.886 176.600 -0.082 0.000 1.048 409 K CA 1.804 58.055 56.287 -0.060 0.000 0.927 409 K CB -0.161 32.316 32.500 -0.040 0.000 0.712 409 K HN 0.536 nan 8.250 nan 0.000 0.441 410 K N 0.481 120.845 120.400 -0.059 0.000 2.063 410 K HA -0.213 4.110 4.320 0.005 0.000 0.208 410 K C 1.660 178.209 176.600 -0.085 0.000 1.048 410 K CA 2.016 58.264 56.287 -0.064 0.000 0.928 410 K CB 0.012 32.490 32.500 -0.038 0.000 0.713 410 K HN 0.111 nan 8.250 nan 0.000 0.442 411 E N 0.786 120.944 120.200 -0.070 0.000 2.106 411 E HA -0.105 4.247 4.350 0.005 0.000 0.192 411 E C 1.853 178.400 176.600 -0.090 0.000 0.984 411 E CA 1.307 57.667 56.400 -0.067 0.000 0.806 411 E CB 0.076 29.748 29.700 -0.047 0.000 0.750 411 E HN 0.289 nan 8.360 nan 0.000 0.458 412 K N 0.138 120.475 120.400 -0.106 0.000 2.057 412 K HA -0.065 4.258 4.320 0.005 0.000 0.207 412 K C 2.117 178.580 176.600 -0.228 0.000 1.049 412 K CA 0.929 57.135 56.287 -0.135 0.000 0.931 412 K CB 0.018 32.443 32.500 -0.125 0.000 0.714 412 K HN -0.037 nan 8.250 nan 0.000 0.440 413 R N 1.094 121.412 120.500 -0.304 0.000 2.075 413 R HA -0.085 4.258 4.340 0.005 0.000 0.232 413 R C 2.235 178.313 176.300 -0.370 0.000 1.126 413 R CA 1.255 57.022 56.100 -0.555 0.000 0.963 413 R CB -0.462 29.512 30.300 -0.545 0.000 0.858 413 R HN 0.409 nan 8.270 nan 0.000 0.435 414 Q N 0.121 119.814 119.800 -0.178 0.000 2.112 414 Q HA -0.153 4.190 4.340 0.005 0.000 0.206 414 Q C 2.109 178.101 176.000 -0.013 0.000 0.987 414 Q CA 1.979 57.733 55.803 -0.082 0.000 0.858 414 Q CB -0.219 28.472 28.738 -0.078 0.000 0.905 414 Q HN 0.353 nan 8.270 nan 0.000 0.420 415 A N 0.617 123.403 122.820 -0.057 0.000 1.902 415 A HA -0.188 4.135 4.320 0.005 0.000 0.217 415 A C 2.053 179.632 177.584 -0.008 0.000 1.181 415 A CA 1.441 53.467 52.037 -0.019 0.000 0.623 415 A CB -0.489 18.487 19.000 -0.039 0.000 0.818 415 A HN 0.294 nan 8.150 nan 0.000 0.443 416 M N -2.243 117.290 119.600 -0.110 0.000 2.117 416 M HA -0.149 4.334 4.480 0.005 0.000 0.262 416 M C 2.233 178.589 176.300 0.093 0.000 1.065 416 M CA 2.015 57.256 55.300 -0.099 0.000 1.114 416 M CB -0.560 31.802 32.600 -0.396 0.000 1.361 416 M HN 0.599 nan 8.290 nan 0.000 0.408 417 Y N 1.024 121.314 120.300 -0.017 0.000 2.128 417 Y HA -0.266 4.286 4.550 0.004 0.000 0.284 417 Y C 2.416 178.395 175.900 0.133 0.000 1.154 417 Y CA 1.874 60.102 58.100 0.212 0.000 1.149 417 Y CB -0.228 38.355 38.460 0.205 0.000 0.976 417 Y HN 0.027 nan 8.280 nan 0.000 0.505 418 R N -0.305 120.399 120.500 0.341 0.000 2.075 418 R HA -0.136 4.207 4.340 0.005 0.000 0.232 418 R C 2.587 178.964 176.300 0.129 0.000 1.126 418 R CA 1.556 57.799 56.100 0.238 0.000 0.963 418 R CB -0.352 30.054 30.300 0.177 0.000 0.858 418 R HN 0.300 nan 8.270 nan 0.000 0.435 419 R N 0.050 120.613 120.500 0.105 0.000 2.081 419 R HA -0.106 4.236 4.340 0.005 0.000 0.235 419 R C 2.085 178.438 176.300 0.088 0.000 1.131 419 R CA 1.783 57.934 56.100 0.084 0.000 0.960 419 R CB -0.430 29.910 30.300 0.066 0.000 0.856 419 R HN 0.333 nan 8.270 nan 0.000 0.436 420 G N 1.173 110.026 108.800 0.089 0.000 2.402 420 G HA2 -0.239 3.723 3.960 0.005 0.000 0.216 420 G HA3 -0.239 3.723 3.960 0.005 0.000 0.216 420 G C 1.300 176.240 174.900 0.066 0.000 1.162 420 G CA 0.477 45.624 45.100 0.078 0.000 0.777 420 G HN 0.306 nan 8.290 nan 0.000 0.539 421 L N 0.708 121.927 121.223 -0.006 0.000 2.093 421 L HA 0.076 4.419 4.340 0.005 0.000 0.208 421 L C 2.538 179.487 176.870 0.132 0.000 1.085 421 L CA 2.356 57.205 54.840 0.015 0.000 0.755 421 L CB -0.528 41.476 42.059 -0.093 0.000 0.904 421 L HN 0.433 nan 8.230 nan 0.000 0.435 422 E N -0.630 119.638 120.200 0.113 0.000 2.051 422 E HA -0.228 4.125 4.350 0.005 0.000 0.192 422 E C 2.092 178.775 176.600 0.138 0.000 0.991 422 E CA 1.131 57.602 56.400 0.118 0.000 0.799 422 E CB -0.148 29.609 29.700 0.096 0.000 0.748 422 E HN 0.590 nan 8.360 nan 0.000 0.449 423 A N 0.492 123.398 122.820 0.143 0.000 1.902 423 A HA -0.174 4.149 4.320 0.005 0.000 0.217 423 A C 1.985 179.700 177.584 0.218 0.000 1.181 423 A CA 1.226 53.353 52.037 0.151 0.000 0.623 423 A CB -0.849 18.224 19.000 0.122 0.000 0.818 423 A HN 0.488 nan 8.150 nan 0.000 0.443 424 F N 1.298 121.309 119.950 0.102 0.000 2.146 424 F HA -0.137 4.393 4.527 0.005 0.000 0.298 424 F C 2.600 178.550 175.800 0.250 0.000 1.096 424 F CA 1.830 59.933 58.000 0.171 0.000 1.275 424 F CB -0.241 38.812 39.000 0.087 0.000 1.008 424 F HN 0.204 nan 8.300 nan 0.000 0.480 425 S N 0.342 116.192 115.700 0.251 0.000 2.382 425 S HA -0.170 4.303 4.470 0.005 0.000 0.228 425 S C 2.303 176.939 174.600 0.062 0.000 1.027 425 S CA 1.007 59.289 58.200 0.136 0.000 0.991 425 S CB -0.841 62.443 63.200 0.140 0.000 0.823 425 S HN 0.503 nan 8.310 nan 0.000 0.469 426 A N 0.663 123.539 122.820 0.092 0.000 1.898 426 A HA -0.128 4.195 4.320 0.005 0.000 0.216 426 A C 1.817 179.436 177.584 0.059 0.000 1.181 426 A CA 1.402 53.479 52.037 0.068 0.000 0.620 426 A CB -1.095 17.957 19.000 0.086 0.000 0.819 426 A HN 0.695 nan 8.150 nan 0.000 0.442 427 W N 0.842 122.078 121.300 -0.107 0.000 2.333 427 W HA -0.219 4.444 4.660 0.005 0.000 0.316 427 W C 1.778 178.189 176.519 -0.181 0.000 1.215 427 W CA 2.101 59.358 57.345 -0.147 0.000 1.278 427 W CB -0.527 28.814 29.460 -0.199 0.000 1.154 427 W HN 0.257 nan 8.180 nan 0.000 0.486 428 L N 0.146 121.179 121.223 -0.318 0.000 2.013 428 L HA -0.312 4.030 4.340 0.005 0.000 0.212 428 L C 2.642 179.324 176.870 -0.313 0.000 1.073 428 L CA 1.916 56.487 54.840 -0.448 0.000 0.753 428 L CB -1.268 40.650 42.059 -0.235 0.000 0.890 428 L HN -0.096 nan 8.230 nan 0.000 0.432 429 S N -0.146 115.450 115.700 -0.172 0.000 2.400 429 S HA -0.139 4.333 4.470 0.005 0.000 0.232 429 S C 1.832 176.348 174.600 -0.140 0.000 1.025 429 S CA 1.238 59.369 58.200 -0.115 0.000 0.993 429 S CB -0.466 62.702 63.200 -0.052 0.000 0.808 429 S HN 0.638 nan 8.310 nan 0.000 0.478 430 G N 0.608 109.300 108.800 -0.180 0.000 2.744 430 G HA2 0.163 4.126 3.960 0.005 0.000 0.211 430 G HA3 0.163 4.126 3.960 0.005 0.000 0.211 430 G C 0.328 175.091 174.900 -0.227 0.000 1.143 430 G CA -0.199 44.802 45.100 -0.164 0.000 0.788 430 G HN 0.353 nan 8.290 nan 0.000 0.534 431 L N 1.180 122.206 121.223 -0.328 0.000 2.455 431 L HA 0.166 4.509 4.340 0.005 0.000 0.272 431 L C -0.113 176.639 176.870 -0.198 0.000 1.174 431 L CA -0.284 54.352 54.840 -0.340 0.000 0.869 431 L CB 0.689 42.492 42.059 -0.427 0.000 1.130 431 L HN 0.069 nan 8.230 nan 0.000 0.474 432 N N 4.531 123.135 118.700 -0.160 0.000 2.577 432 N HA 0.404 5.147 4.740 0.005 0.000 0.275 432 N C -2.627 172.829 175.510 -0.091 0.000 1.091 432 N CA -1.383 51.604 53.050 -0.105 0.000 0.843 432 N CB 1.345 39.784 38.487 -0.080 0.000 1.295 432 N HN 0.163 nan 8.380 nan 0.000 0.530 433 P HA 0.409 nan 4.420 nan 0.000 0.274 433 P C -2.708 174.527 177.300 -0.107 0.000 1.231 433 P CA -1.063 61.986 63.100 -0.084 0.000 0.790 433 P CB 0.239 31.897 31.700 -0.070 0.000 0.951 434 P HA 0.222 nan 4.420 nan 0.000 0.281 434 P C -0.634 176.620 177.300 -0.077 0.000 1.249 434 P CA -0.396 62.641 63.100 -0.104 0.000 0.810 434 P CB 0.831 32.481 31.700 -0.084 0.000 1.008 435 L N 3.498 124.682 121.223 -0.064 0.000 2.410 435 L HA 0.229 4.572 4.340 0.005 0.000 0.273 435 L C -1.646 175.216 176.870 -0.014 0.000 1.152 435 L CA -1.564 53.264 54.840 -0.021 0.000 0.855 435 L CB -0.689 41.397 42.059 0.045 0.000 1.129 435 L HN 0.301 nan 8.230 nan 0.000 0.463 436 P HA 0.161 nan 4.420 nan 0.000 0.272 436 P C -0.715 176.599 177.300 0.023 0.000 1.223 436 P CA -0.484 62.612 63.100 -0.006 0.000 0.784 436 P CB 0.451 32.139 31.700 -0.019 0.000 0.923 437 R N 2.106 122.623 120.500 0.028 0.000 2.623 437 R HA 0.211 4.554 4.340 0.005 0.000 0.271 437 R C -1.624 174.720 176.300 0.072 0.000 1.043 437 R CA -0.961 55.168 56.100 0.048 0.000 1.083 437 R CB -0.915 29.409 30.300 0.039 0.000 0.974 437 R HN 0.468 nan 8.270 nan 0.000 0.436 438 P HA 0.000 nan 4.420 nan 0.000 0.216 438 P CA 0.000 63.188 63.100 0.147 0.000 0.800 438 P CB 0.000 31.794 31.700 0.156 0.000 0.726