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 1s0j_1_A DATA FIRST_RESID 1 DATA SEQUENCE LAPGSSRVEL FKRQSSKVPF EKDGKVTERV VHSFRLPALV NVDGVMVAIA DATA SEQUENCE DARYETSFAN SLIDTVAKYS VDDGETWETQ IAIKNSRASS VSRVVDPTVI DATA SEQUENCE VKGNKLYVLV GSYNSSRSYW TSHGDARDWD ILLAVGEVTK STAGGKITAS DATA SEQUENCE IKWGSPVSLK EFFPAEMEGM HTNQFLGGAG VAIVASNGNL VYPVQVTNKK DATA SEQUENCE KQVFSKIFYS EDEGKTWKFG KGRSAFGCSE PVALEWEGKL IINTRVDYRR DATA SEQUENCE RLVYESSDMG NTWLEAVGTL SRVWGPSPKS NQPGSQSSFT AVTIEGMRVM DATA SEQUENCE LFTHPLNFKG RWLRDRLNLW LTDNQRIYNV GQVSIGDENS AYSSVLYKDD DATA SEQUENCE KLYCLHEINS NEVYSLVFAR LVGELRIIKS VLQSWKNWDS HLSSIcTPAX DATA SEQUENCE XXXXXXXXGc GPAVTTVGLV GFLSHSATKT EWEDAYRCVN ASTANAERVP DATA SEQUENCE NGLKFAGVGG GALWPVSQQG QNQRYHFANH AFTLVASVTI HEVPKGASPL DATA SEQUENCE LGASLDSSGG KKLLGLSYDK RHQWQPIYGS TPVTPTGSWE MGKRYHVVLT DATA SEQUENCE MANKIGSVYI DGEPLEGSGQ TVVPDERTPD ISHFYVGGYK RSGMPTDSRV DATA SEQUENCE TVNNVLLYNR QLNAEEIRTL FLSQDLIGTE AH 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 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.862 176.870 -0.013 0.000 1.165 1 L CA 0.000 54.835 54.840 -0.009 0.000 0.813 1 L CB 0.000 42.068 42.059 0.015 0.000 0.961 2 A N 5.100 127.909 122.820 -0.019 0.000 2.386 2 A HA 0.689 -10.083 4.320 -25.154 0.000 0.246 2 A C -2.390 175.188 177.584 -0.010 0.000 1.089 2 A CA -0.754 51.273 52.037 -0.016 0.000 0.790 2 A CB -0.628 18.361 19.000 -0.019 0.000 1.042 2 A HN 0.551 nan 8.150 nan 0.000 0.497 3 P HA 0.326 nan 4.420 nan 0.000 0.267 3 P C 0.923 178.220 177.300 -0.006 0.000 1.205 3 P CA 1.557 64.655 63.100 -0.003 0.000 0.765 3 P CB 0.807 32.507 31.700 -0.001 0.000 0.828 4 G N 1.703 110.501 108.800 -0.004 0.000 2.258 4 G HA2 -0.217 -11.349 3.960 -25.154 0.000 0.233 4 G HA3 -0.217 -11.349 3.960 -25.154 0.000 0.233 4 G C 0.388 175.283 174.900 -0.008 0.000 1.006 4 G CA -0.036 45.060 45.100 -0.005 0.000 0.620 4 G HN 0.575 nan 8.290 nan 0.000 0.511 5 S N 0.328 116.021 115.700 -0.011 0.000 2.632 5 S HA 0.790 -9.833 4.470 -25.154 0.000 0.271 5 S C 0.344 174.943 174.600 -0.002 0.000 1.260 5 S CA 0.443 58.633 58.200 -0.016 0.000 1.010 5 S CB 1.712 64.899 63.200 -0.022 0.000 0.965 5 S HN 1.717 nan 8.310 nan 0.000 0.534 6 S N 0.830 116.529 115.700 -0.001 0.000 2.625 6 S HA 0.834 -9.789 4.470 -25.154 0.000 0.271 6 S C -1.105 173.505 174.600 0.017 0.000 1.161 6 S CA -1.262 56.948 58.200 0.017 0.000 0.820 6 S CB 1.849 65.068 63.200 0.031 0.000 1.137 6 S HN 0.979 nan 8.310 nan 0.000 0.470 7 R N -0.870 119.651 120.500 0.035 0.000 2.752 7 R HA 0.852 -9.900 4.340 -25.154 0.000 0.271 7 R C -1.501 174.844 176.300 0.074 0.000 1.026 7 R CA -0.999 55.127 56.100 0.044 0.000 0.901 7 R CB 1.177 31.485 30.300 0.014 0.000 1.243 7 R HN 1.173 nan 8.270 nan 0.000 0.463 8 V N -2.535 117.446 119.914 0.111 0.000 3.040 8 V HA 0.527 -10.445 4.120 -25.154 0.000 0.312 8 V C -0.448 175.675 176.094 0.048 0.000 1.115 8 V CA -1.046 61.306 62.300 0.086 0.000 0.998 8 V CB 1.925 33.820 31.823 0.120 0.000 1.042 8 V HN 0.941 nan 8.190 nan 0.000 0.433 9 E N 1.022 121.227 120.200 0.007 0.000 2.070 9 E HA 0.230 -10.513 4.350 -25.154 0.000 0.282 9 E C 0.062 176.615 176.600 -0.078 0.000 1.104 9 E CA -0.402 55.983 56.400 -0.024 0.000 0.876 9 E CB 1.399 31.087 29.700 -0.020 0.000 1.055 9 E HN 0.745 nan 8.360 nan 0.000 0.401 10 L N 5.934 127.090 121.223 -0.111 0.000 2.130 10 L HA 0.204 -10.549 4.340 -25.154 0.000 0.200 10 L C -0.037 176.513 176.870 -0.533 0.000 1.075 10 L CA 1.345 55.981 54.840 -0.340 0.000 0.768 10 L CB 0.166 41.963 42.059 -0.436 0.000 0.933 10 L HN 0.427 nan 8.230 nan 0.000 0.451 11 F N 1.936 121.583 119.950 -0.505 0.000 2.313 11 F HA 0.345 -10.219 4.527 -25.152 0.000 0.369 11 F C 0.217 175.734 175.800 -0.472 0.000 1.109 11 F CA -0.640 56.851 58.000 -0.849 0.000 1.132 11 F CB 0.360 38.667 39.000 -1.156 0.000 1.291 11 F HN -0.151 nan 8.300 nan 0.000 0.496 12 K N 4.680 124.983 120.400 -0.160 0.000 2.262 12 K HA 0.292 -10.480 4.320 -25.154 0.000 0.282 12 K C 0.109 176.859 176.600 0.250 0.000 1.066 12 K CA -0.808 55.511 56.287 0.053 0.000 0.901 12 K CB 0.980 33.476 32.500 -0.006 0.000 1.089 12 K HN 0.614 nan 8.250 nan 0.000 0.476 13 R N 2.701 123.347 120.500 0.243 0.000 2.640 13 R HA -0.077 -10.829 4.340 -25.154 0.000 0.270 13 R C -0.382 175.950 176.300 0.053 0.000 1.024 13 R CA 0.106 56.309 56.100 0.171 0.000 1.085 13 R CB 0.058 30.388 30.300 0.049 0.000 0.963 13 R HN 0.714 nan 8.270 nan 0.000 0.426 14 Q N -0.357 119.438 119.800 -0.009 0.000 2.461 14 Q HA -0.299 -11.051 4.340 -25.154 0.000 0.264 14 Q C 0.265 176.280 176.000 0.026 0.000 1.085 14 Q CA 1.295 57.081 55.803 -0.027 0.000 1.006 14 Q CB -1.150 27.538 28.738 -0.083 0.000 1.437 14 Q HN 0.899 nan 8.270 nan 0.000 0.514 15 S N -2.076 113.671 115.700 0.080 0.000 3.770 15 S HA 0.130 -10.493 4.470 -25.154 0.000 0.238 15 S C 0.234 174.887 174.600 0.088 0.000 1.143 15 S CA 0.312 58.550 58.200 0.063 0.000 0.869 15 S CB 0.533 63.756 63.200 0.038 0.000 1.057 15 S HN 0.264 nan 8.310 nan 0.000 0.507 16 S N 2.789 118.572 115.700 0.139 0.000 2.560 16 S HA 0.320 -10.302 4.470 -25.154 0.000 0.284 16 S C -0.424 174.298 174.600 0.203 0.000 1.327 16 S CA 0.204 58.474 58.200 0.118 0.000 1.055 16 S CB 0.468 63.681 63.200 0.022 0.000 0.868 16 S HN 0.394 nan 8.310 nan 0.000 0.506 17 K N 1.341 121.818 120.400 0.128 0.000 2.208 17 K HA 0.696 -10.077 4.320 -25.154 0.000 0.247 17 K C -0.576 176.122 176.600 0.164 0.000 0.953 17 K CA -0.860 55.516 56.287 0.148 0.000 0.837 17 K CB 1.664 34.221 32.500 0.096 0.000 1.131 17 K HN 0.473 nan 8.250 nan 0.000 0.431 18 V N -1.636 118.406 119.914 0.214 0.000 2.962 18 V HA 0.528 -10.444 4.120 -25.154 0.000 0.313 18 V C -2.770 173.465 176.094 0.235 0.000 1.099 18 V CA -2.787 59.645 62.300 0.221 0.000 0.971 18 V CB 1.815 33.802 31.823 0.274 0.000 1.028 18 V HN 0.591 nan 8.190 nan 0.000 0.430 19 P HA 0.217 nan 4.420 nan 0.000 0.268 19 P C -0.853 176.571 177.300 0.206 0.000 1.541 19 P CA 0.217 63.417 63.100 0.166 0.000 1.093 19 P CB -0.252 31.514 31.700 0.111 0.000 1.551 20 F N 3.312 123.306 119.950 0.073 0.000 2.444 20 F HA 0.230 -10.336 4.527 -25.154 0.000 0.360 20 F C 0.535 176.321 175.800 -0.022 0.000 1.106 20 F CA -0.612 57.396 58.000 0.012 0.000 1.170 20 F CB 0.623 39.555 39.000 -0.113 0.000 1.113 20 F HN 0.215 nan 8.300 nan 0.000 0.521 21 E N 7.060 126.879 120.200 -0.635 0.000 2.156 21 E HA 0.316 -10.426 4.350 -25.154 0.000 0.279 21 E C -1.345 174.791 176.600 -0.772 0.000 0.965 21 E CA -0.742 55.346 56.400 -0.519 0.000 0.789 21 E CB 0.958 30.503 29.700 -0.257 0.000 1.098 21 E HN 0.723 nan 8.360 nan 0.000 0.397 22 K N 4.029 124.118 120.400 -0.519 0.000 2.565 22 K HA 0.131 -10.642 4.320 -25.154 0.000 0.251 22 K C -1.322 175.173 176.600 -0.175 0.000 0.956 22 K CA -0.506 55.556 56.287 -0.375 0.000 0.809 22 K CB 1.013 33.300 32.500 -0.353 0.000 1.267 22 K HN 0.528 nan 8.250 nan 0.000 0.438 23 D N 3.043 123.370 120.400 -0.122 0.000 2.708 23 D HA -0.193 -10.645 4.640 -25.154 0.000 0.236 23 D C 0.644 176.906 176.300 -0.064 0.000 1.146 23 D CA 1.994 55.951 54.000 -0.073 0.000 0.662 23 D CB -1.142 39.629 40.800 -0.048 0.000 1.059 23 D HN 1.099 nan 8.370 nan 0.000 0.428 24 G N -0.316 108.439 108.800 -0.075 0.000 2.179 24 G HA2 -0.376 -11.508 3.960 -25.154 0.000 0.260 24 G HA3 -0.376 -11.508 3.960 -25.154 0.000 0.260 24 G C 0.296 175.165 174.900 -0.052 0.000 0.977 24 G CA 0.943 46.010 45.100 -0.055 0.000 0.641 24 G HN 0.702 nan 8.290 nan 0.000 0.533 25 K N -0.005 120.356 120.400 -0.066 0.000 2.259 25 K HA 0.709 -10.064 4.320 -25.154 0.000 0.252 25 K C -0.562 175.997 176.600 -0.068 0.000 0.936 25 K CA -0.796 55.463 56.287 -0.048 0.000 0.810 25 K CB 2.155 34.638 32.500 -0.028 0.000 1.143 25 K HN 0.097 nan 8.250 nan 0.000 0.427 26 V N 3.006 122.900 119.914 -0.032 0.000 2.495 26 V HA 0.483 -10.489 4.120 -25.154 0.000 0.298 26 V C -0.614 175.499 176.094 0.033 0.000 1.031 26 V CA -0.652 61.636 62.300 -0.020 0.000 0.871 26 V CB 1.645 33.465 31.823 -0.005 0.000 0.988 26 V HN 1.033 nan 8.190 nan 0.000 0.432 27 T N 0.474 115.079 114.554 0.084 0.000 2.893 27 T HA 0.542 -10.201 4.350 -25.154 0.000 0.293 27 T C -0.765 174.018 174.700 0.139 0.000 1.027 27 T CA -0.907 61.257 62.100 0.106 0.000 0.988 27 T CB 2.064 71.004 68.868 0.120 0.000 1.043 27 T HN 0.470 nan 8.240 nan 0.000 0.461 28 E N 2.013 122.275 120.200 0.103 0.000 2.265 28 E HA 0.197 -10.546 4.350 -25.154 0.000 0.272 28 E C -0.166 176.498 176.600 0.107 0.000 1.067 28 E CA -0.017 56.448 56.400 0.108 0.000 0.900 28 E CB 1.026 30.771 29.700 0.075 0.000 1.017 28 E HN 0.553 nan 8.360 nan 0.000 0.431 29 R N 2.410 122.996 120.500 0.143 0.000 2.534 29 R HA 0.321 -10.431 4.340 -25.154 0.000 0.301 29 R C -0.783 175.599 176.300 0.136 0.000 0.961 29 R CA -0.675 55.484 56.100 0.099 0.000 0.871 29 R CB 1.184 31.497 30.300 0.021 0.000 1.170 29 R HN 0.209 nan 8.270 nan 0.000 0.446 30 V N 4.463 124.429 119.914 0.087 0.000 2.740 30 V HA 0.113 -10.859 4.120 -25.154 0.000 0.303 30 V C 0.068 176.218 176.094 0.093 0.000 1.054 30 V CA -0.168 62.187 62.300 0.091 0.000 1.106 30 V CB 1.353 33.208 31.823 0.054 0.000 0.957 30 V HN 0.477 nan 8.190 nan 0.000 0.486 31 V N 4.076 124.013 119.914 0.040 0.000 2.459 31 V HA 0.256 -10.717 4.120 -25.154 0.000 0.295 31 V C 1.022 177.014 176.094 -0.170 0.000 1.029 31 V CA -0.417 61.778 62.300 -0.176 0.000 0.874 31 V CB 1.273 32.714 31.823 -0.636 0.000 0.985 31 V HN 0.982 nan 8.190 nan 0.000 0.438 32 H N 2.707 121.647 119.070 -0.217 0.000 2.276 32 H HA 0.041 -10.495 4.556 -25.154 0.000 0.301 32 H C 0.425 175.658 175.328 -0.157 0.000 1.073 32 H CA 1.630 57.599 56.048 -0.132 0.000 1.311 32 H CB 0.667 30.376 29.762 -0.088 0.000 1.379 32 H HN 0.599 nan 8.280 nan 0.000 0.494 33 S N -1.017 114.634 115.700 -0.082 0.000 2.546 33 S HA 0.450 -10.172 4.470 -25.154 0.000 0.274 33 S C -1.506 172.848 174.600 -0.410 0.000 1.121 33 S CA -0.641 57.520 58.200 -0.065 0.000 0.887 33 S CB 1.957 65.289 63.200 0.220 0.000 1.094 33 S HN 0.195 nan 8.310 nan 0.000 0.474 34 F N 1.713 121.659 119.950 -0.007 0.000 2.467 34 F HA 0.629 -9.938 4.527 -25.155 0.000 0.336 34 F C 0.770 176.470 175.800 -0.167 0.000 1.123 34 F CA -0.596 57.333 58.000 -0.118 0.000 0.964 34 F CB 1.484 40.429 39.000 -0.092 0.000 1.136 34 F HN 0.230 nan 8.300 nan 0.000 0.447 35 R N 1.637 122.076 120.500 -0.101 0.000 2.885 35 R HA 0.576 -10.176 4.340 -25.154 0.000 0.260 35 R C -1.104 175.102 176.300 -0.156 0.000 1.107 35 R CA -1.116 54.864 56.100 -0.200 0.000 0.978 35 R CB 1.653 31.704 30.300 -0.415 0.000 1.227 35 R HN 0.576 nan 8.270 nan 0.000 0.473 36 L N 1.152 122.314 121.223 -0.102 0.000 3.550 36 L HA -0.100 -10.852 4.340 -25.154 0.000 0.523 36 L C -2.273 174.609 176.870 0.021 0.000 1.312 36 L CA 0.182 55.053 54.840 0.050 0.000 0.864 36 L CB -1.647 40.407 42.059 -0.007 0.000 1.592 36 L HN 0.522 nan 8.230 nan 0.000 0.859 37 P HA 0.345 nan 4.420 nan 0.000 0.271 37 P C -0.343 176.989 177.300 0.054 0.000 1.216 37 P CA 0.041 63.130 63.100 -0.018 0.000 0.776 37 P CB 1.603 33.317 31.700 0.023 0.000 0.881 38 A N 3.694 126.547 122.820 0.055 0.000 2.402 38 A HA 0.572 -10.200 4.320 -25.154 0.000 0.291 38 A C -1.508 176.167 177.584 0.152 0.000 1.051 38 A CA -0.619 51.488 52.037 0.116 0.000 0.716 38 A CB 1.004 20.079 19.000 0.125 0.000 1.223 38 A HN 0.495 nan 8.150 nan 0.000 0.425 39 L N 4.133 125.468 121.223 0.187 0.000 2.349 39 L HA 0.820 -9.932 4.340 -25.154 0.000 0.278 39 L C -0.497 176.511 176.870 0.229 0.000 0.996 39 L CA -0.366 54.617 54.840 0.237 0.000 0.825 39 L CB 1.729 43.959 42.059 0.285 0.000 1.243 39 L HN 1.026 nan 8.230 nan 0.000 0.412 40 V N 1.814 121.863 119.914 0.224 0.000 3.167 40 V HA 0.742 -10.231 4.120 -25.154 0.000 0.310 40 V C -1.151 175.039 176.094 0.161 0.000 1.207 40 V CA -0.815 61.598 62.300 0.189 0.000 1.059 40 V CB 2.099 34.029 31.823 0.179 0.000 1.079 40 V HN 0.822 nan 8.190 nan 0.000 0.446 41 N N 0.610 119.386 118.700 0.126 0.000 2.443 41 N HA 0.551 -9.801 4.740 -25.154 0.000 0.269 41 N C -1.223 174.327 175.510 0.067 0.000 0.985 41 N CA -0.440 52.661 53.050 0.085 0.000 0.921 41 N CB 1.707 40.238 38.487 0.074 0.000 1.195 41 N HN 0.703 nan 8.380 nan 0.000 0.492 42 V N 3.433 123.375 119.914 0.047 0.000 2.259 42 V HA 0.211 -10.761 4.120 -25.154 0.000 0.267 42 V C 0.127 176.220 176.094 -0.002 0.000 1.051 42 V CA -0.736 61.577 62.300 0.022 0.000 0.830 42 V CB 0.320 32.144 31.823 0.002 0.000 1.080 42 V HN 0.769 nan 8.190 nan 0.000 0.467 43 D N 4.396 124.797 120.400 0.003 0.000 2.755 43 D HA -0.197 -10.649 4.640 -25.154 0.000 0.227 43 D C 1.325 177.615 176.300 -0.017 0.000 1.211 43 D CA 1.975 55.970 54.000 -0.008 0.000 0.663 43 D CB -0.948 39.843 40.800 -0.015 0.000 0.983 43 D HN 1.206 nan 8.370 nan 0.000 0.407 44 G N -1.903 106.888 108.800 -0.014 0.000 2.238 44 G HA2 -0.250 -11.383 3.960 -25.154 0.000 0.217 44 G HA3 -0.250 -11.383 3.960 -25.154 0.000 0.217 44 G C 0.290 175.168 174.900 -0.037 0.000 0.996 44 G CA 0.017 45.102 45.100 -0.025 0.000 0.632 44 G HN 0.671 nan 8.290 nan 0.000 0.503 45 V N 3.022 122.918 119.914 -0.029 0.000 2.370 45 V HA 0.576 -10.396 4.120 -25.154 0.000 0.279 45 V C 0.817 176.909 176.094 -0.004 0.000 1.029 45 V CA -0.350 61.933 62.300 -0.029 0.000 0.870 45 V CB 1.514 33.322 31.823 -0.025 0.000 0.984 45 V HN 0.368 nan 8.190 nan 0.000 0.451 46 M N 4.935 124.505 119.600 -0.050 0.000 2.200 46 M HA 0.406 -10.207 4.480 -25.154 0.000 0.355 46 M C -0.890 175.508 176.300 0.164 0.000 1.283 46 M CA 0.006 55.306 55.300 0.001 0.000 1.124 46 M CB 1.306 33.796 32.600 -0.183 0.000 1.625 46 M HN 0.417 nan 8.290 nan 0.000 0.463 47 V N 2.981 123.055 119.914 0.268 0.000 2.577 47 V HA 0.678 -10.294 4.120 -25.154 0.000 0.303 47 V C -0.468 175.853 176.094 0.378 0.000 1.042 47 V CA -0.922 61.601 62.300 0.372 0.000 0.872 47 V CB 1.752 33.753 31.823 0.296 0.000 0.998 47 V HN 0.908 nan 8.190 nan 0.000 0.423 48 A N 6.134 129.201 122.820 0.412 0.000 2.291 48 A HA 0.883 -9.890 4.320 -25.154 0.000 0.311 48 A C -0.788 176.959 177.584 0.271 0.000 1.224 48 A CA -0.382 51.833 52.037 0.297 0.000 0.821 48 A CB 0.508 19.645 19.000 0.229 0.000 1.172 48 A HN 0.772 nan 8.150 nan 0.000 0.494 49 I N 1.835 122.494 120.570 0.149 0.000 2.460 49 I HA 0.729 -10.193 4.170 -25.154 0.000 0.298 49 I C 0.445 176.513 176.117 -0.082 0.000 0.989 49 I CA -0.109 61.235 61.300 0.074 0.000 1.173 49 I CB 2.079 40.146 38.000 0.112 0.000 1.338 49 I HN 0.801 nan 8.210 nan 0.000 0.456 50 A N 3.933 126.673 122.820 -0.134 0.000 2.581 50 A HA 0.551 -10.222 4.320 -25.154 0.000 0.290 50 A C -1.824 175.686 177.584 -0.122 0.000 1.119 50 A CA -0.726 51.187 52.037 -0.207 0.000 0.670 50 A CB 1.219 19.913 19.000 -0.512 0.000 1.280 50 A HN 0.532 nan 8.150 nan 0.000 0.425 51 D N 1.074 121.397 120.400 -0.128 0.000 2.304 51 D HA 0.523 -9.929 4.640 -25.154 0.000 0.250 51 D C 0.065 176.275 176.300 -0.151 0.000 1.107 51 D CA 0.789 54.703 54.000 -0.144 0.000 0.885 51 D CB 1.518 42.207 40.800 -0.185 0.000 1.192 51 D HN 0.791 nan 8.370 nan 0.000 0.436 52 A N 3.870 126.546 122.820 -0.241 0.000 2.322 52 A HA 0.358 -10.415 4.320 -25.154 0.000 0.327 52 A C 0.023 177.208 177.584 -0.666 0.000 1.394 52 A CA -0.742 50.986 52.037 -0.514 0.000 0.921 52 A CB 0.294 18.996 19.000 -0.497 0.000 1.153 52 A HN 0.395 nan 8.150 nan 0.000 0.523 53 R N 3.134 123.289 120.500 -0.576 0.000 2.230 53 R HA 0.227 -10.525 4.340 -25.154 0.000 0.337 53 R C -0.417 175.680 176.300 -0.339 0.000 1.063 53 R CA -0.177 55.698 56.100 -0.376 0.000 0.935 53 R CB 0.322 30.462 30.300 -0.266 0.000 1.121 53 R HN 0.849 nan 8.270 nan 0.000 0.486 54 Y N 1.147 121.334 120.300 -0.189 0.000 2.181 54 Y HA -0.217 -10.758 4.550 -25.152 0.000 0.288 54 Y C 1.967 177.788 175.900 -0.130 0.000 1.146 54 Y CA 1.267 59.255 58.100 -0.186 0.000 1.164 54 Y CB 0.380 38.705 38.460 -0.226 0.000 0.982 54 Y HN 0.453 nan 8.280 nan 0.000 0.515 55 E N -1.500 118.711 120.200 0.020 0.000 2.434 55 E HA 0.120 -10.623 4.350 -25.154 0.000 0.207 55 E C 0.435 176.873 176.600 -0.269 0.000 0.929 55 E CA 0.576 56.943 56.400 -0.055 0.000 1.001 55 E CB 0.961 30.629 29.700 -0.052 0.000 1.016 55 E HN 0.203 nan 8.360 nan 0.000 0.502 56 T N -1.071 113.237 114.554 -0.410 0.000 2.786 56 T HA 0.136 -10.606 4.350 -25.154 0.000 0.316 56 T C 0.222 174.676 174.700 -0.409 0.000 1.503 56 T CA 0.094 61.773 62.100 -0.701 0.000 1.019 56 T CB 1.167 69.865 68.868 -0.284 0.000 1.415 56 T HN -0.077 nan 8.240 nan 0.000 0.496 57 S N 1.722 117.271 115.700 -0.252 0.000 2.562 57 S HA 0.199 -10.423 4.470 -25.154 0.000 0.221 57 S C 0.635 175.212 174.600 -0.039 0.000 0.975 57 S CA -0.354 57.826 58.200 -0.033 0.000 0.918 57 S CB -0.576 62.768 63.200 0.240 0.000 0.772 57 S HN 0.589 nan 8.310 nan 0.000 0.531 58 F N 3.144 122.989 119.950 -0.174 0.000 2.607 58 F HA 0.440 -10.126 4.527 -25.154 0.000 0.374 58 F C 1.461 177.146 175.800 -0.191 0.000 1.104 58 F CA -0.837 57.065 58.000 -0.164 0.000 1.296 58 F CB 0.232 39.130 39.000 -0.170 0.000 1.085 58 F HN 0.155 nan 8.300 nan 0.000 0.584 59 A N 4.558 126.964 122.820 -0.691 0.000 1.940 59 A HA -0.182 -10.954 4.320 -25.154 0.000 0.219 59 A C 1.043 178.183 177.584 -0.740 0.000 1.176 59 A CA 1.476 53.141 52.037 -0.621 0.000 0.631 59 A CB -0.604 18.143 19.000 -0.422 0.000 0.814 59 A HN 0.724 nan 8.150 nan 0.000 0.446 60 N N 0.727 118.665 118.700 -1.269 0.000 3.234 60 N HA 0.251 -10.101 4.740 -25.154 0.000 0.272 60 N C -0.495 174.820 175.510 -0.325 0.000 1.254 60 N CA 0.655 53.256 53.050 -0.749 0.000 1.087 60 N CB 0.580 38.579 38.487 -0.814 0.000 1.356 60 N HN 0.549 nan 8.380 nan 0.000 0.511 61 S N -0.821 114.754 115.700 -0.210 0.000 2.776 61 S HA 0.450 -10.172 4.470 -25.154 0.000 0.292 61 S C -0.704 173.873 174.600 -0.038 0.000 1.187 61 S CA -0.930 57.237 58.200 -0.054 0.000 0.834 61 S CB 1.325 64.520 63.200 -0.009 0.000 1.199 61 S HN 0.130 nan 8.310 nan 0.000 0.514 62 L N 1.359 122.590 121.223 0.013 0.000 2.500 62 L HA 0.564 -10.188 4.340 -25.154 0.000 0.272 62 L C -1.141 175.807 176.870 0.129 0.000 1.149 62 L CA 0.483 55.373 54.840 0.083 0.000 0.897 62 L CB -0.774 41.341 42.059 0.094 0.000 1.178 62 L HN 0.587 nan 8.230 nan 0.000 0.473 63 I N 4.311 124.941 120.570 0.101 0.000 2.607 63 I HA 0.354 -10.568 4.170 -25.154 0.000 0.290 63 I C -1.031 175.118 176.117 0.054 0.000 1.129 63 I CA -0.752 60.547 61.300 -0.002 0.000 1.042 63 I CB 2.002 39.945 38.000 -0.096 0.000 1.242 63 I HN 0.435 nan 8.210 nan 0.000 0.421 64 D N 2.986 123.400 120.400 0.023 0.000 2.340 64 D HA 0.433 -10.019 4.640 -25.154 0.000 0.243 64 D C -0.536 175.722 176.300 -0.070 0.000 0.988 64 D CA -0.266 53.761 54.000 0.046 0.000 0.959 64 D CB 2.225 43.143 40.800 0.196 0.000 1.226 64 D HN 0.310 nan 8.370 nan 0.000 0.509 65 T N 0.502 115.002 114.554 -0.090 0.000 2.743 65 T HA 0.356 -10.387 4.350 -25.154 0.000 0.293 65 T C -0.011 174.614 174.700 -0.125 0.000 0.945 65 T CA -0.396 61.627 62.100 -0.128 0.000 1.030 65 T CB 0.971 69.729 68.868 -0.182 0.000 0.912 65 T HN 0.078 nan 8.240 nan 0.000 0.483 66 V N 2.704 122.592 119.914 -0.043 0.000 2.834 66 V HA 0.903 -10.069 4.120 -25.154 0.000 0.313 66 V C -0.552 175.585 176.094 0.073 0.000 1.060 66 V CA -0.661 61.668 62.300 0.048 0.000 0.989 66 V CB 1.435 33.393 31.823 0.226 0.000 1.041 66 V HN 1.049 nan 8.190 nan 0.000 0.459 67 A N 5.366 128.264 122.820 0.130 0.000 2.393 67 A HA 0.810 -9.962 4.320 -25.154 0.000 0.306 67 A C -0.831 176.933 177.584 0.300 0.000 1.050 67 A CA -0.834 51.356 52.037 0.255 0.000 0.724 67 A CB 1.475 20.664 19.000 0.315 0.000 1.248 67 A HN 0.824 nan 8.150 nan 0.000 0.424 68 K N 0.892 121.477 120.400 0.310 0.000 2.259 68 K HA 0.656 -10.117 4.320 -25.154 0.000 0.252 68 K C -1.593 175.307 176.600 0.501 0.000 0.936 68 K CA -0.483 55.906 56.287 0.169 0.000 0.810 68 K CB 2.094 34.393 32.500 -0.336 0.000 1.143 68 K HN 0.751 nan 8.250 nan 0.000 0.427 69 Y N -2.044 118.495 120.300 0.399 0.000 2.581 69 Y HA 0.712 -9.831 4.550 -25.155 0.000 0.345 69 Y C -0.710 175.188 175.900 -0.003 0.000 1.036 69 Y CA -1.138 57.127 58.100 0.275 0.000 1.042 69 Y CB 2.036 40.587 38.460 0.152 0.000 1.289 69 Y HN 0.422 nan 8.280 nan 0.000 0.471 70 S N 0.753 116.331 115.700 -0.203 0.000 2.546 70 S HA 0.509 -10.113 4.470 -25.154 0.000 0.272 70 S C -0.470 173.937 174.600 -0.322 0.000 1.140 70 S CA -0.212 57.637 58.200 -0.585 0.000 0.920 70 S CB 1.466 63.749 63.200 -1.528 0.000 1.083 70 S HN 1.426 nan 8.310 nan 0.000 0.476 71 V N 0.767 120.541 119.914 -0.233 0.000 3.376 71 V HA 0.457 -10.515 4.120 -25.154 0.000 0.313 71 V C 0.084 176.077 176.094 -0.168 0.000 1.393 71 V CA 0.394 62.606 62.300 -0.147 0.000 1.125 71 V CB -0.191 31.592 31.823 -0.068 0.000 1.037 71 V HN 0.791 nan 8.190 nan 0.000 0.440 72 D N -1.292 118.957 120.400 -0.251 0.000 2.804 72 D HA 0.174 -10.278 4.640 -25.154 0.000 0.308 72 D C 0.065 176.239 176.300 -0.209 0.000 1.371 72 D CA -0.402 53.483 54.000 -0.193 0.000 0.823 72 D CB -0.437 40.266 40.800 -0.161 0.000 1.126 72 D HN 0.198 nan 8.370 nan 0.000 0.467 73 D N 0.451 120.704 120.400 -0.246 0.000 2.751 73 D HA -0.153 -10.605 4.640 -25.154 0.000 0.233 73 D C 1.281 177.442 176.300 -0.231 0.000 1.149 73 D CA 1.613 55.489 54.000 -0.208 0.000 0.682 73 D CB -1.362 39.441 40.800 0.004 0.000 1.068 73 D HN 0.757 nan 8.370 nan 0.000 0.429 74 G N -0.700 107.734 108.800 -0.611 0.000 2.157 74 G HA2 -0.339 -11.471 3.960 -25.154 0.000 0.239 74 G HA3 -0.339 -11.471 3.960 -25.154 0.000 0.239 74 G C 0.934 175.676 174.900 -0.263 0.000 0.982 74 G CA 0.518 45.185 45.100 -0.721 0.000 0.650 74 G HN 0.394 nan 8.290 nan 0.000 0.527 75 E N 0.222 120.288 120.200 -0.223 0.000 2.046 75 E HA 0.016 -10.726 4.350 -25.154 0.000 0.190 75 E C 1.642 178.183 176.600 -0.098 0.000 0.982 75 E CA 1.804 58.164 56.400 -0.066 0.000 0.800 75 E CB -0.171 29.499 29.700 -0.049 0.000 0.756 75 E HN 0.882 nan 8.360 nan 0.000 0.449 76 T N -2.225 112.162 114.554 -0.278 0.000 2.907 76 T HA 0.544 -10.198 4.350 -25.154 0.000 0.292 76 T C -1.105 173.325 174.700 -0.450 0.000 1.043 76 T CA -0.924 61.060 62.100 -0.194 0.000 1.003 76 T CB 1.454 70.243 68.868 -0.131 0.000 1.084 76 T HN 0.027 nan 8.240 nan 0.000 0.483 77 W N -0.058 121.087 121.300 -0.258 0.000 3.031 77 W HA 0.643 -9.790 4.660 -25.155 0.000 0.337 77 W C -0.321 175.965 176.519 -0.388 0.000 1.187 77 W CA -0.755 56.384 57.345 -0.343 0.000 1.166 77 W CB 1.562 30.787 29.460 -0.392 0.000 1.437 77 W HN 0.582 nan 8.180 nan 0.000 0.551 78 E N 0.798 120.788 120.200 -0.350 0.000 2.221 78 E HA 0.638 -10.105 4.350 -25.154 0.000 0.268 78 E C -0.863 175.513 176.600 -0.373 0.000 0.933 78 E CA -0.622 55.504 56.400 -0.457 0.000 0.809 78 E CB 2.144 31.374 29.700 -0.784 0.000 1.190 78 E HN 0.233 nan 8.360 nan 0.000 0.406 79 T N 2.099 116.555 114.554 -0.164 0.000 2.861 79 T HA 0.494 -10.249 4.350 -25.154 0.000 0.287 79 T C -0.399 174.351 174.700 0.084 0.000 1.003 79 T CA -0.857 61.217 62.100 -0.043 0.000 0.977 79 T CB 1.551 70.373 68.868 -0.076 0.000 0.996 79 T HN 0.432 nan 8.240 nan 0.000 0.448 80 Q N 1.351 121.244 119.800 0.155 0.000 2.590 80 Q HA 0.620 -10.132 4.340 -25.154 0.000 0.295 80 Q C -1.649 174.410 176.000 0.098 0.000 0.973 80 Q CA -1.191 54.714 55.803 0.170 0.000 0.768 80 Q CB 1.312 30.224 28.738 0.289 0.000 1.479 80 Q HN 0.339 nan 8.270 nan 0.000 0.419 81 I N 1.616 122.214 120.570 0.046 0.000 2.315 81 I HA 0.292 -10.630 4.170 -25.154 0.000 0.291 81 I C 0.684 176.637 176.117 -0.273 0.000 1.006 81 I CA -0.161 61.111 61.300 -0.046 0.000 1.265 81 I CB 0.949 38.967 38.000 0.031 0.000 1.387 81 I HN 1.019 nan 8.210 nan 0.000 0.475 82 A N 7.680 130.161 122.820 -0.565 0.000 1.903 82 A HA 0.239 -10.534 4.320 -25.154 0.000 0.213 82 A C 0.884 178.024 177.584 -0.741 0.000 1.185 82 A CA 1.014 52.228 52.037 -1.371 0.000 0.628 82 A CB 0.173 18.049 19.000 -1.874 0.000 0.830 82 A HN 0.613 nan 8.150 nan 0.000 0.446 83 I N 0.288 120.616 120.570 -0.404 0.000 2.571 83 I HA 0.230 -10.692 4.170 -25.154 0.000 0.289 83 I C -0.816 175.234 176.117 -0.113 0.000 1.115 83 I CA -0.834 60.342 61.300 -0.208 0.000 1.045 83 I CB 2.266 40.155 38.000 -0.185 0.000 1.238 83 I HN 0.267 nan 8.210 nan 0.000 0.424 84 K N 5.495 125.854 120.400 -0.068 0.000 2.098 84 K HA 0.472 -10.300 4.320 -25.154 0.000 0.258 84 K C -0.348 176.235 176.600 -0.028 0.000 0.973 84 K CA -0.790 55.482 56.287 -0.026 0.000 0.898 84 K CB 1.270 33.744 32.500 -0.043 0.000 1.057 84 K HN 0.669 nan 8.250 nan 0.000 0.447 85 N N 0.555 119.260 118.700 0.008 0.000 2.294 85 N HA -0.101 -10.453 4.740 -25.154 0.000 0.248 85 N C 0.599 176.097 175.510 -0.020 0.000 1.300 85 N CA -0.156 52.891 53.050 -0.005 0.000 0.925 85 N CB 0.776 39.282 38.487 0.033 0.000 1.188 85 N HN 0.784 nan 8.380 nan 0.000 0.512 86 S N -0.706 114.978 115.700 -0.027 0.000 2.474 86 S HA -0.089 -10.711 4.470 -25.154 0.000 0.235 86 S C 0.652 175.239 174.600 -0.022 0.000 0.997 86 S CA 0.028 58.208 58.200 -0.034 0.000 0.949 86 S CB -0.375 62.802 63.200 -0.039 0.000 0.766 86 S HN 0.676 nan 8.310 nan 0.000 0.517 87 R N -0.447 120.052 120.500 -0.002 0.000 3.875 87 R HA -0.191 -10.943 4.340 -25.154 0.000 0.321 87 R C 1.138 177.441 176.300 0.005 0.000 1.196 87 R CA 0.841 56.945 56.100 0.006 0.000 0.868 87 R CB -2.615 27.671 30.300 -0.024 0.000 1.333 87 R HN 0.685 nan 8.270 nan 0.000 0.522 88 A N 0.242 123.065 122.820 0.005 0.000 1.968 88 A HA 0.015 -10.757 4.320 -25.154 0.000 0.217 88 A C 1.135 178.725 177.584 0.011 0.000 1.169 88 A CA 1.636 53.676 52.037 0.004 0.000 0.638 88 A CB 0.111 19.113 19.000 0.003 0.000 0.812 88 A HN 0.666 nan 8.150 nan 0.000 0.446 89 S N -2.781 112.930 115.700 0.019 0.000 2.688 89 S HA 0.381 -10.242 4.470 -25.154 0.000 0.275 89 S C 0.754 175.367 174.600 0.022 0.000 1.175 89 S CA 0.407 58.618 58.200 0.018 0.000 0.818 89 S CB 0.733 63.945 63.200 0.020 0.000 1.157 89 S HN 0.811 nan 8.310 nan 0.000 0.482 90 S N -0.152 115.556 115.700 0.014 0.000 2.500 90 S HA -0.062 -10.684 4.470 -25.154 0.000 0.239 90 S C 1.322 175.930 174.600 0.015 0.000 0.989 90 S CA 0.973 59.178 58.200 0.009 0.000 0.951 90 S CB -1.001 62.197 63.200 -0.003 0.000 0.759 90 S HN 1.729 nan 8.310 nan 0.000 0.523 91 V N -2.099 117.828 119.914 0.022 0.000 3.159 91 V HA 0.448 -10.524 4.120 -25.154 0.000 0.333 91 V C 0.182 176.294 176.094 0.030 0.000 1.424 91 V CA -0.699 61.614 62.300 0.020 0.000 1.125 91 V CB -0.431 31.402 31.823 0.017 0.000 1.075 91 V HN 0.250 nan 8.190 nan 0.000 0.482 92 S N 3.054 118.780 115.700 0.044 0.000 2.563 92 S HA 0.570 -10.052 4.470 -25.154 0.000 0.284 92 S C 0.190 174.824 174.600 0.056 0.000 1.331 92 S CA -0.063 58.169 58.200 0.054 0.000 1.047 92 S CB 0.264 63.489 63.200 0.042 0.000 0.859 92 S HN 0.942 nan 8.310 nan 0.000 0.514 93 R N -0.757 119.779 120.500 0.060 0.000 2.634 93 R HA 0.560 -10.193 4.340 -25.154 0.000 0.263 93 R C -1.744 174.573 176.300 0.029 0.000 1.060 93 R CA -1.064 55.060 56.100 0.041 0.000 0.898 93 R CB 0.530 30.836 30.300 0.010 0.000 1.253 93 R HN 0.394 nan 8.270 nan 0.000 0.461 94 V N -0.234 119.671 119.914 -0.015 0.000 2.435 94 V HA 0.826 -10.147 4.120 -25.154 0.000 0.290 94 V C 0.391 176.445 176.094 -0.067 0.000 1.030 94 V CA -0.696 61.569 62.300 -0.059 0.000 0.881 94 V CB 1.143 32.913 31.823 -0.089 0.000 0.983 94 V HN 0.701 nan 8.190 nan 0.000 0.445 95 V N 0.105 119.975 119.914 -0.074 0.000 3.040 95 V HA 0.703 -10.269 4.120 -25.154 0.000 0.312 95 V C -0.309 175.710 176.094 -0.125 0.000 1.115 95 V CA -0.771 61.473 62.300 -0.095 0.000 0.998 95 V CB 1.626 33.399 31.823 -0.083 0.000 1.042 95 V HN 0.893 nan 8.190 nan 0.000 0.433 96 D N 1.012 121.345 120.400 -0.113 0.000 2.740 96 D HA -0.105 -10.558 4.640 -25.154 0.000 0.231 96 D C -2.269 173.985 176.300 -0.076 0.000 1.194 96 D CA 1.141 55.091 54.000 -0.083 0.000 0.673 96 D CB -1.114 39.620 40.800 -0.110 0.000 0.995 96 D HN 0.787 nan 8.370 nan 0.000 0.411 97 P HA 0.025 nan 4.420 nan 0.000 0.264 97 P C -0.248 177.064 177.300 0.020 0.000 1.193 97 P CA 0.317 63.393 63.100 -0.040 0.000 0.763 97 P CB 0.901 32.580 31.700 -0.035 0.000 0.810 98 T N 2.725 117.300 114.554 0.035 0.000 2.812 98 T HA 0.393 -10.349 4.350 -25.154 0.000 0.282 98 T C -0.176 174.724 174.700 0.333 0.000 0.990 98 T CA -0.458 61.735 62.100 0.155 0.000 0.960 98 T CB 1.191 70.113 68.868 0.089 0.000 0.948 98 T HN 0.082 nan 8.240 nan 0.000 0.438 99 V N 4.515 124.639 119.914 0.351 0.000 2.555 99 V HA 0.602 -10.370 4.120 -25.154 0.000 0.302 99 V C -0.370 175.916 176.094 0.320 0.000 1.038 99 V CA -0.836 61.677 62.300 0.356 0.000 0.887 99 V CB 1.713 33.696 31.823 0.267 0.000 0.991 99 V HN 0.804 nan 8.190 nan 0.000 0.434 100 I N 3.843 124.598 120.570 0.308 0.000 2.498 100 I HA 0.476 -10.446 4.170 -25.154 0.000 0.290 100 I C -0.677 175.583 176.117 0.238 0.000 1.032 100 I CA -0.894 60.503 61.300 0.162 0.000 1.073 100 I CB 2.345 40.313 38.000 -0.054 0.000 1.251 100 I HN 0.275 nan 8.210 nan 0.000 0.426 101 V N 6.286 126.300 119.914 0.166 0.000 2.407 101 V HA 0.426 -10.546 4.120 -25.154 0.000 0.278 101 V C -0.105 176.072 176.094 0.137 0.000 1.037 101 V CA -0.435 61.965 62.300 0.166 0.000 0.900 101 V CB 1.469 33.363 31.823 0.119 0.000 0.983 101 V HN 0.625 nan 8.190 nan 0.000 0.459 102 K N 3.176 123.690 120.400 0.191 0.000 2.553 102 K HA 0.583 -10.189 4.320 -25.154 0.000 0.250 102 K C 0.513 177.183 176.600 0.116 0.000 0.953 102 K CA 0.315 56.676 56.287 0.124 0.000 0.800 102 K CB 1.747 34.297 32.500 0.083 0.000 1.243 102 K HN 0.912 nan 8.250 nan 0.000 0.435 103 G N 3.434 112.266 108.800 0.055 0.000 2.591 103 G HA2 -0.391 -11.524 3.960 -25.154 0.000 0.298 103 G HA3 -0.391 -11.524 3.960 -25.154 0.000 0.298 103 G C 0.128 175.036 174.900 0.013 0.000 1.195 103 G CA 0.617 45.734 45.100 0.028 0.000 0.989 103 G HN 0.840 nan 8.290 nan 0.000 0.551 104 N N 1.045 119.737 118.700 -0.013 0.000 2.251 104 N HA 0.170 -10.182 4.740 -25.154 0.000 0.217 104 N C -0.028 175.424 175.510 -0.095 0.000 1.124 104 N CA 0.340 53.358 53.050 -0.054 0.000 0.843 104 N CB 0.440 38.883 38.487 -0.075 0.000 1.024 104 N HN 0.485 nan 8.380 nan 0.000 0.501 105 K N 0.857 121.224 120.400 -0.053 0.000 2.164 105 K HA 0.422 -10.350 4.320 -25.154 0.000 0.258 105 K C -0.453 176.093 176.600 -0.089 0.000 0.951 105 K CA -0.625 55.567 56.287 -0.158 0.000 0.844 105 K CB 2.278 34.649 32.500 -0.214 0.000 1.099 105 K HN 0.069 nan 8.250 nan 0.000 0.435 106 L N 3.117 124.209 121.223 -0.218 0.000 2.287 106 L HA 0.383 -10.369 4.340 -25.154 0.000 0.287 106 L C -0.739 176.115 176.870 -0.026 0.000 1.022 106 L CA -0.782 54.054 54.840 -0.005 0.000 0.814 106 L CB 0.518 42.599 42.059 0.037 0.000 1.217 106 L HN 0.425 nan 8.230 nan 0.000 0.420 107 Y N 2.904 123.324 120.300 0.200 0.000 2.335 107 Y HA 0.509 -10.034 4.550 -25.154 0.000 0.339 107 Y C -0.115 176.006 175.900 0.369 0.000 0.987 107 Y CA -0.793 57.478 58.100 0.285 0.000 1.140 107 Y CB 1.575 40.211 38.460 0.293 0.000 1.173 107 Y HN 0.176 nan 8.280 nan 0.000 0.486 108 V N 5.703 125.877 119.914 0.433 0.000 2.407 108 V HA 0.280 -10.692 4.120 -25.154 0.000 0.291 108 V C -0.793 175.389 176.094 0.147 0.000 1.018 108 V CA -0.806 61.678 62.300 0.305 0.000 0.842 108 V CB 1.616 33.585 31.823 0.243 0.000 0.996 108 V HN 0.482 nan 8.190 nan 0.000 0.426 109 L N 7.782 129.000 121.223 -0.009 0.000 2.264 109 L HA 0.790 -9.962 4.340 -25.154 0.000 0.289 109 L C -0.274 176.449 176.870 -0.246 0.000 1.044 109 L CA 0.060 54.739 54.840 -0.268 0.000 0.807 109 L CB 1.480 43.067 42.059 -0.787 0.000 1.192 109 L HN 0.587 nan 8.230 nan 0.000 0.425 110 V N 2.118 121.883 119.914 -0.248 0.000 2.789 110 V HA 0.925 -10.047 4.120 -25.154 0.000 0.311 110 V C 0.371 176.272 176.094 -0.322 0.000 1.073 110 V CA -0.468 61.689 62.300 -0.239 0.000 0.921 110 V CB 1.100 32.818 31.823 -0.175 0.000 1.009 110 V HN 0.851 nan 8.190 nan 0.000 0.426 111 G N 1.124 109.746 108.800 -0.297 0.000 2.527 111 G HA2 0.483 -10.649 3.960 -25.154 0.000 0.248 111 G HA3 0.483 -10.649 3.960 -25.154 0.000 0.248 111 G C -0.243 174.465 174.900 -0.319 0.000 1.231 111 G CA 0.055 44.951 45.100 -0.340 0.000 0.838 111 G HN 1.210 nan 8.290 nan 0.000 0.570 112 S N 0.127 115.491 115.700 -0.560 0.000 2.532 112 S HA 0.681 -9.942 4.470 -25.154 0.000 0.299 112 S C -1.505 172.748 174.600 -0.578 0.000 1.105 112 S CA -0.644 57.316 58.200 -0.400 0.000 1.018 112 S CB 0.634 63.608 63.200 -0.377 0.000 1.021 112 S HN 0.430 nan 8.310 nan 0.000 0.483 113 Y N 3.246 123.506 120.300 -0.066 0.000 2.462 113 Y HA 0.478 -10.065 4.550 -25.154 0.000 0.346 113 Y C 1.083 176.980 175.900 -0.005 0.000 0.976 113 Y CA -0.893 57.214 58.100 0.012 0.000 1.044 113 Y CB 1.763 40.256 38.460 0.055 0.000 1.230 113 Y HN 0.586 nan 8.280 nan 0.000 0.455 114 N N 0.134 118.920 118.700 0.144 0.000 2.333 114 N HA -0.058 -10.410 4.740 -25.154 0.000 0.183 114 N C 1.061 176.618 175.510 0.080 0.000 1.030 114 N CA 1.488 54.583 53.050 0.074 0.000 0.867 114 N CB 0.167 38.675 38.487 0.037 0.000 1.027 114 N HN 0.602 nan 8.380 nan 0.000 0.435 115 S N -2.120 113.637 115.700 0.095 0.000 2.800 115 S HA 0.189 -10.433 4.470 -25.154 0.000 0.266 115 S C 0.295 174.925 174.600 0.049 0.000 1.029 115 S CA -0.520 57.715 58.200 0.059 0.000 1.302 115 S CB -0.093 63.128 63.200 0.035 0.000 1.212 115 S HN 0.051 nan 8.310 nan 0.000 0.683 116 S N 1.260 117.005 115.700 0.075 0.000 2.549 116 S HA 0.377 -10.245 4.470 -25.154 0.000 0.283 116 S C 0.787 175.389 174.600 0.003 0.000 1.320 116 S CA -0.341 57.872 58.200 0.021 0.000 1.058 116 S CB 0.669 63.876 63.200 0.013 0.000 0.882 116 S HN 0.515 nan 8.310 nan 0.000 0.498 117 R N 2.177 122.679 120.500 0.003 0.000 2.334 117 R HA 0.245 -10.507 4.340 -25.154 0.000 0.216 117 R C -0.023 176.278 176.300 0.002 0.000 0.905 117 R CA -0.019 56.101 56.100 0.033 0.000 1.064 117 R CB 0.461 30.811 30.300 0.083 0.000 1.046 117 R HN 0.432 nan 8.270 nan 0.000 0.508 118 S N -0.177 115.525 115.700 0.005 0.000 2.578 118 S HA 0.282 -10.340 4.470 -25.154 0.000 0.283 118 S C -0.636 173.987 174.600 0.039 0.000 1.195 118 S CA -0.656 57.576 58.200 0.053 0.000 1.050 118 S CB 0.742 64.028 63.200 0.142 0.000 1.012 118 S HN 0.092 nan 8.310 nan 0.000 0.511 119 Y N 3.144 123.475 120.300 0.052 0.000 2.597 119 Y HA -0.074 -10.615 4.550 -25.152 0.000 0.336 119 Y C 1.658 177.484 175.900 -0.123 0.000 1.216 119 Y CA 0.039 58.111 58.100 -0.047 0.000 1.463 119 Y CB 0.375 38.812 38.460 -0.038 0.000 1.303 119 Y HN 0.873 nan 8.280 nan 0.000 0.576 120 W N 1.540 122.638 121.300 -0.338 0.000 2.350 120 W HA -0.205 -10.639 4.660 -25.158 0.000 0.289 120 W C 1.311 177.589 176.519 -0.401 0.000 1.215 120 W CA 1.828 58.745 57.345 -0.713 0.000 1.236 120 W CB -1.641 27.538 29.460 -0.469 0.000 1.130 120 W HN 0.598 nan 8.180 nan 0.000 0.541 121 T N -0.589 113.469 114.554 -0.827 0.000 3.118 121 T HA -0.062 -10.804 4.350 -25.154 0.000 0.260 121 T C 1.835 176.363 174.700 -0.287 0.000 1.139 121 T CA 1.272 62.906 62.100 -0.776 0.000 1.085 121 T CB -0.667 67.733 68.868 -0.780 0.000 0.934 121 T HN 0.271 nan 8.240 nan 0.000 0.518 122 S N -0.038 115.606 115.700 -0.092 0.000 2.548 122 S HA 0.099 -10.523 4.470 -25.154 0.000 0.215 122 S C 0.295 174.999 174.600 0.172 0.000 0.976 122 S CA -0.659 57.576 58.200 0.058 0.000 0.908 122 S CB -0.558 62.724 63.200 0.136 0.000 0.781 122 S HN 0.550 nan 8.310 nan 0.000 0.519 123 H N 1.142 120.211 119.070 -0.002 0.000 2.732 123 H HA 0.501 -10.034 4.556 -25.152 0.000 0.351 123 H C 1.512 176.848 175.328 0.012 0.000 1.090 123 H CA 0.173 56.243 56.048 0.037 0.000 1.431 123 H CB 0.792 30.616 29.762 0.103 0.000 1.447 123 H HN 0.293 nan 8.280 nan 0.000 0.582 124 G N 1.281 110.158 108.800 0.129 0.000 2.683 124 G HA2 0.041 -11.091 3.960 -25.154 0.000 0.213 124 G HA3 0.041 -11.091 3.960 -25.154 0.000 0.213 124 G C -0.332 174.612 174.900 0.074 0.000 1.142 124 G CA 0.488 45.629 45.100 0.068 0.000 0.793 124 G HN 0.742 nan 8.290 nan 0.000 0.534 125 D N -2.905 117.563 120.400 0.114 0.000 2.759 125 D HA 0.510 -9.942 4.640 -25.154 0.000 0.321 125 D C 0.340 176.750 176.300 0.183 0.000 1.267 125 D CA -0.132 53.938 54.000 0.116 0.000 0.933 125 D CB 0.792 41.642 40.800 0.083 0.000 1.431 125 D HN -0.058 nan 8.370 nan 0.000 0.504 126 A N -0.496 122.442 122.820 0.197 0.000 2.379 126 A HA 0.121 -10.652 4.320 -25.154 0.000 0.236 126 A C 1.774 179.548 177.584 0.318 0.000 1.272 126 A CA 0.384 52.601 52.037 0.301 0.000 0.886 126 A CB -0.779 18.442 19.000 0.369 0.000 0.962 126 A HN 0.546 nan 8.150 nan 0.000 0.504 127 R N 0.003 120.628 120.500 0.210 0.000 2.174 127 R HA -0.227 -10.979 4.340 -25.154 0.000 0.253 127 R C 0.854 177.252 176.300 0.163 0.000 1.165 127 R CA 2.145 58.338 56.100 0.154 0.000 0.984 127 R CB -0.467 29.888 30.300 0.091 0.000 0.873 127 R HN 0.282 nan 8.270 nan 0.000 0.456 128 D N -1.022 119.519 120.400 0.236 0.000 2.349 128 D HA 0.057 -10.396 4.640 -25.154 0.000 0.214 128 D C -0.740 175.678 176.300 0.197 0.000 1.063 128 D CA -0.193 53.949 54.000 0.235 0.000 0.847 128 D CB 0.193 41.177 40.800 0.308 0.000 0.933 128 D HN 0.370 nan 8.370 nan 0.000 0.513 129 W N 0.651 121.911 121.300 -0.066 0.000 2.627 129 W HA 0.548 -9.885 4.660 -25.154 0.000 0.339 129 W C -1.046 175.295 176.519 -0.297 0.000 1.058 129 W CA -0.633 56.492 57.345 -0.365 0.000 1.223 129 W CB 1.248 30.576 29.460 -0.220 0.000 1.389 129 W HN -0.307 nan 8.180 nan 0.000 0.541 130 D N 3.261 122.829 120.400 -1.388 0.000 2.596 130 D HA 0.388 -10.064 4.640 -25.154 0.000 0.262 130 D C -1.980 173.262 176.300 -1.763 0.000 1.210 130 D CA -0.638 52.470 54.000 -1.486 0.000 0.873 130 D CB 2.257 42.620 40.800 -0.728 0.000 1.408 130 D HN 0.342 nan 8.370 nan 0.000 0.441 131 I N 1.904 121.674 120.570 -1.333 0.000 2.468 131 I HA 0.449 -10.473 4.170 -25.154 0.000 0.285 131 I C -1.661 174.119 176.117 -0.560 0.000 1.039 131 I CA -0.370 60.349 61.300 -0.968 0.000 1.074 131 I CB 1.006 38.330 38.000 -1.127 0.000 1.228 131 I HN 0.313 nan 8.210 nan 0.000 0.436 132 L N 7.245 128.213 121.223 -0.425 0.000 2.362 132 L HA 0.630 -10.122 4.340 -25.154 0.000 0.271 132 L C -1.142 175.630 176.870 -0.163 0.000 1.002 132 L CA -1.047 53.645 54.840 -0.247 0.000 0.818 132 L CB 1.957 43.889 42.059 -0.212 0.000 1.298 132 L HN 0.501 nan 8.230 nan 0.000 0.420 133 L N 2.550 123.744 121.223 -0.049 0.000 2.333 133 L HA 0.876 -9.877 4.340 -25.154 0.000 0.280 133 L C -0.522 176.413 176.870 0.108 0.000 1.004 133 L CA -0.029 54.843 54.840 0.053 0.000 0.820 133 L CB 1.545 43.695 42.059 0.152 0.000 1.247 133 L HN 0.706 nan 8.230 nan 0.000 0.416 134 A N 4.675 127.581 122.820 0.144 0.000 2.365 134 A HA 0.838 -9.934 4.320 -25.154 0.000 0.318 134 A C -1.400 176.325 177.584 0.235 0.000 1.091 134 A CA -0.585 51.564 52.037 0.186 0.000 0.763 134 A CB 1.741 20.852 19.000 0.186 0.000 1.248 134 A HN 0.504 nan 8.150 nan 0.000 0.442 135 V N 1.516 121.508 119.914 0.130 0.000 2.448 135 V HA 0.674 -10.298 4.120 -25.154 0.000 0.295 135 V C 0.715 176.669 176.094 -0.234 0.000 1.025 135 V CA -0.179 62.044 62.300 -0.127 0.000 0.859 135 V CB 1.675 33.320 31.823 -0.296 0.000 0.988 135 V HN 1.162 nan 8.190 nan 0.000 0.431 136 G N 2.802 111.217 108.800 -0.642 0.000 2.356 136 G HA2 0.620 -10.512 3.960 -25.154 0.000 0.322 136 G HA3 0.620 -10.512 3.960 -25.154 0.000 0.322 136 G C -0.843 173.574 174.900 -0.804 0.000 1.125 136 G CA -0.350 43.932 45.100 -1.364 0.000 0.885 136 G HN 0.717 nan 8.290 nan 0.000 0.467 137 E N 1.875 121.693 120.200 -0.638 0.000 2.145 137 E HA 0.447 -10.296 4.350 -25.154 0.000 0.270 137 E C -0.762 175.608 176.600 -0.383 0.000 0.906 137 E CA -0.596 55.563 56.400 -0.402 0.000 0.761 137 E CB 1.670 31.206 29.700 -0.274 0.000 1.116 137 E HN 0.207 nan 8.360 nan 0.000 0.408 138 V N 4.279 124.008 119.914 -0.309 0.000 2.432 138 V HA 0.323 -10.649 4.120 -25.154 0.000 0.275 138 V C -0.022 175.956 176.094 -0.192 0.000 1.043 138 V CA -0.266 61.869 62.300 -0.275 0.000 0.925 138 V CB 1.563 33.252 31.823 -0.224 0.000 0.985 138 V HN 0.752 nan 8.190 nan 0.000 0.466 139 T N 5.488 119.933 114.554 -0.181 0.000 2.841 139 T HA 0.471 -10.271 4.350 -25.154 0.000 0.283 139 T C -0.435 174.207 174.700 -0.096 0.000 1.000 139 T CA -0.745 61.283 62.100 -0.120 0.000 0.977 139 T CB 1.612 70.417 68.868 -0.105 0.000 0.979 139 T HN 0.543 nan 8.240 nan 0.000 0.446 140 K N 1.384 121.742 120.400 -0.069 0.000 2.203 140 K HA 0.782 -9.991 4.320 -25.154 0.000 0.251 140 K C -0.557 176.021 176.600 -0.036 0.000 0.944 140 K CA -0.617 55.640 56.287 -0.050 0.000 0.829 140 K CB 1.877 34.350 32.500 -0.045 0.000 1.125 140 K HN 0.560 nan 8.250 nan 0.000 0.430 141 S N -0.220 115.464 115.700 -0.026 0.000 2.625 141 S HA 0.420 -10.202 4.470 -25.154 0.000 0.271 141 S C -1.408 173.182 174.600 -0.016 0.000 1.161 141 S CA -0.647 57.542 58.200 -0.020 0.000 0.820 141 S CB 1.584 64.774 63.200 -0.017 0.000 1.137 141 S HN 0.609 nan 8.310 nan 0.000 0.470 142 T N 0.795 115.341 114.554 -0.014 0.000 3.514 142 T HA 0.656 -10.086 4.350 -25.154 0.000 0.259 142 T C -0.216 174.477 174.700 -0.010 0.000 1.466 142 T CA -0.312 61.780 62.100 -0.013 0.000 1.562 142 T CB 0.415 69.275 68.868 -0.014 0.000 0.924 142 T HN 0.813 nan 8.240 nan 0.000 0.678 143 A N 0.734 123.550 122.820 -0.008 0.000 2.309 143 A HA 0.706 -10.066 4.320 -25.154 0.000 0.290 143 A C 1.485 179.065 177.584 -0.007 0.000 1.206 143 A CA 0.126 52.159 52.037 -0.006 0.000 0.850 143 A CB -0.664 18.334 19.000 -0.003 0.000 1.118 143 A HN 1.762 nan 8.150 nan 0.000 0.523 144 G N 1.213 110.009 108.800 -0.007 0.000 2.137 144 G HA2 0.182 -10.950 3.960 -25.154 0.000 0.237 144 G HA3 0.182 -10.950 3.960 -25.154 0.000 0.237 144 G C 1.482 176.377 174.900 -0.008 0.000 1.002 144 G CA 0.863 45.958 45.100 -0.007 0.000 0.702 144 G HN 2.731 nan 8.290 nan 0.000 0.515 145 G N -0.970 107.825 108.800 -0.009 0.000 2.241 145 G HA2 -0.137 -11.269 3.960 -25.154 0.000 0.244 145 G HA3 -0.137 -11.269 3.960 -25.154 0.000 0.244 145 G C 0.375 175.267 174.900 -0.012 0.000 0.998 145 G CA 1.335 46.428 45.100 -0.010 0.000 0.621 145 G HN 1.862 nan 8.290 nan 0.000 0.519 146 K N 0.403 120.795 120.400 -0.013 0.000 2.340 146 K HA 0.807 -9.966 4.320 -25.154 0.000 0.244 146 K C 0.136 176.725 176.600 -0.018 0.000 0.973 146 K CA -1.378 54.898 56.287 -0.017 0.000 0.828 146 K CB 2.011 34.498 32.500 -0.020 0.000 1.226 146 K HN 0.002 nan 8.250 nan 0.000 0.437 147 I N 2.425 122.981 120.570 -0.022 0.000 2.648 147 I HA 0.025 -10.898 4.170 -25.154 0.000 0.284 147 I C 0.559 176.666 176.117 -0.017 0.000 1.153 147 I CA 0.391 61.678 61.300 -0.022 0.000 1.426 147 I CB 0.213 38.196 38.000 -0.029 0.000 1.381 147 I HN 0.919 nan 8.210 nan 0.000 0.571 148 T N 2.354 116.903 114.554 -0.008 0.000 2.896 148 T HA 0.894 -9.848 4.350 -25.154 0.000 0.297 148 T C -0.648 174.062 174.700 0.017 0.000 1.108 148 T CA -0.815 61.291 62.100 0.011 0.000 1.004 148 T CB 2.456 71.334 68.868 0.016 0.000 1.159 148 T HN 0.832 nan 8.240 nan 0.000 0.499 149 A N 1.057 123.915 122.820 0.063 0.000 2.566 149 A HA 0.979 -9.794 4.320 -25.154 0.000 0.292 149 A C -0.339 177.267 177.584 0.037 0.000 1.112 149 A CA -0.602 51.447 52.037 0.020 0.000 0.707 149 A CB 1.558 20.558 19.000 0.000 0.000 1.302 149 A HN 1.921 nan 8.150 nan 0.000 0.409 150 S N -0.370 115.245 115.700 -0.141 0.000 2.579 150 S HA 0.821 -9.802 4.470 -25.154 0.000 0.272 150 S C -1.147 173.216 174.600 -0.395 0.000 1.141 150 S CA -0.593 57.482 58.200 -0.209 0.000 0.843 150 S CB 1.115 64.286 63.200 -0.048 0.000 1.122 150 S HN 0.775 nan 8.310 nan 0.000 0.468 151 I N 1.112 121.424 120.570 -0.431 0.000 2.447 151 I HA 0.469 -10.453 4.170 -25.154 0.000 0.287 151 I C -0.473 175.447 176.117 -0.330 0.000 1.023 151 I CA -0.597 60.426 61.300 -0.462 0.000 1.083 151 I CB 2.117 39.788 38.000 -0.549 0.000 1.245 151 I HN 0.637 nan 8.210 nan 0.000 0.434 152 K N 6.155 126.329 120.400 -0.377 0.000 2.263 152 K HA 0.357 -10.416 4.320 -25.154 0.000 0.272 152 K C -1.633 174.755 176.600 -0.353 0.000 1.033 152 K CA -0.487 55.664 56.287 -0.226 0.000 0.884 152 K CB 0.977 33.392 32.500 -0.142 0.000 1.107 152 K HN 0.441 nan 8.250 nan 0.000 0.460 153 W N 2.521 123.802 121.300 -0.031 0.000 2.361 153 W HA 0.348 -10.085 4.660 -25.155 0.000 0.309 153 W C 0.866 177.370 176.519 -0.025 0.000 1.122 153 W CA -0.375 56.953 57.345 -0.028 0.000 1.208 153 W CB 1.497 30.954 29.460 -0.005 0.000 1.246 153 W HN 0.692 nan 8.180 nan 0.000 0.490 154 G N 1.434 110.329 108.800 0.158 0.000 2.599 154 G HA2 0.315 -10.817 3.960 -25.154 0.000 0.264 154 G HA3 0.315 -10.817 3.960 -25.154 0.000 0.264 154 G C -0.330 174.645 174.900 0.126 0.000 1.200 154 G CA -0.682 44.477 45.100 0.099 0.000 0.896 154 G HN 0.387 nan 8.290 nan 0.000 0.536 155 S N 1.287 117.033 115.700 0.077 0.000 2.564 155 S HA 0.308 -10.314 4.470 -25.154 0.000 0.278 155 S C -1.964 172.671 174.600 0.058 0.000 1.333 155 S CA -0.511 57.723 58.200 0.057 0.000 1.048 155 S CB 1.025 64.245 63.200 0.034 0.000 0.900 155 S HN 0.398 nan 8.310 nan 0.000 0.505 156 P HA 0.254 nan 4.420 nan 0.000 0.271 156 P C -1.162 176.148 177.300 0.018 0.000 1.218 156 P CA -0.351 62.765 63.100 0.026 0.000 0.780 156 P CB 0.444 32.131 31.700 -0.022 0.000 0.901 157 V N 1.956 121.893 119.914 0.038 0.000 2.555 157 V HA 0.324 -10.648 4.120 -25.154 0.000 0.302 157 V C 0.391 176.496 176.094 0.019 0.000 1.038 157 V CA -0.551 61.779 62.300 0.050 0.000 0.887 157 V CB 1.771 33.666 31.823 0.120 0.000 0.991 157 V HN 0.580 nan 8.190 nan 0.000 0.434 158 S N 4.027 119.719 115.700 -0.014 0.000 2.548 158 S HA 0.411 -10.212 4.470 -25.154 0.000 0.277 158 S C 0.482 175.102 174.600 0.033 0.000 1.315 158 S CA -0.468 57.691 58.200 -0.070 0.000 1.050 158 S CB 0.331 63.457 63.200 -0.124 0.000 0.918 158 S HN 0.616 nan 8.310 nan 0.000 0.497 159 L N 4.940 126.187 121.223 0.039 0.000 2.818 159 L HA 0.277 -10.475 4.340 -25.154 0.000 0.243 159 L C 2.085 179.136 176.870 0.302 0.000 1.185 159 L CA -0.079 54.950 54.840 0.315 0.000 0.988 159 L CB -0.203 42.047 42.059 0.319 0.000 1.292 159 L HN 0.723 nan 8.230 nan 0.000 0.519 160 K N 1.681 122.119 120.400 0.063 0.000 2.211 160 K HA -0.204 -10.976 4.320 -25.154 0.000 0.204 160 K C 1.845 178.584 176.600 0.231 0.000 1.047 160 K CA 1.721 58.093 56.287 0.143 0.000 0.935 160 K CB 0.207 32.686 32.500 -0.036 0.000 0.728 160 K HN 0.541 nan 8.250 nan 0.000 0.452 161 E N -0.591 119.603 120.200 -0.010 0.000 2.333 161 E HA -0.180 -10.922 4.350 -25.154 0.000 0.198 161 E C 0.922 177.432 176.600 -0.150 0.000 1.007 161 E CA 0.935 57.233 56.400 -0.169 0.000 0.845 161 E CB -0.275 29.173 29.700 -0.420 0.000 0.766 161 E HN 0.369 nan 8.360 nan 0.000 0.507 162 F N 0.072 120.287 119.950 0.441 0.000 2.732 162 F HA 0.214 -10.351 4.527 -25.154 0.000 0.303 162 F C 0.356 176.597 175.800 0.735 0.000 1.110 162 F CA -0.575 57.750 58.000 0.542 0.000 1.355 162 F CB 0.351 39.721 39.000 0.616 0.000 1.081 162 F HN -0.026 nan 8.300 nan 0.000 0.565 163 F N 4.840 125.135 119.950 0.574 0.000 2.361 163 F HA 0.458 -10.107 4.527 -25.154 0.000 0.364 163 F C -2.202 173.749 175.800 0.251 0.000 1.117 163 F CA -4.331 53.950 58.000 0.469 0.000 1.071 163 F CB 0.263 39.619 39.000 0.593 0.000 1.188 163 F HN -0.213 nan 8.300 nan 0.000 0.464 164 P HA 0.195 nan 4.420 nan 0.000 0.274 164 P C -0.093 176.996 177.300 -0.351 0.000 1.231 164 P CA -0.161 62.869 63.100 -0.118 0.000 0.790 164 P CB 1.251 32.902 31.700 -0.083 0.000 0.951 165 A N 2.079 124.795 122.820 -0.174 0.000 2.066 165 A HA -0.056 -10.828 4.320 -25.154 0.000 0.218 165 A C 0.850 178.347 177.584 -0.145 0.000 1.157 165 A CA 1.142 53.089 52.037 -0.151 0.000 0.670 165 A CB -0.366 18.621 19.000 -0.022 0.000 0.804 165 A HN 0.690 nan 8.150 nan 0.000 0.453 166 E N -1.332 118.775 120.200 -0.155 0.000 2.317 166 E HA 0.660 -10.082 4.350 -25.154 0.000 0.270 166 E C -1.290 175.201 176.600 -0.181 0.000 0.885 166 E CA -0.452 55.846 56.400 -0.170 0.000 0.760 166 E CB 1.918 31.530 29.700 -0.146 0.000 1.227 166 E HN 0.315 nan 8.360 nan 0.000 0.434 167 M N 1.558 121.048 119.600 -0.184 0.000 2.644 167 M HA 0.259 -10.353 4.480 -25.154 0.000 0.304 167 M C 0.717 176.921 176.300 -0.161 0.000 1.215 167 M CA -0.688 54.520 55.300 -0.154 0.000 0.871 167 M CB 2.000 34.518 32.600 -0.137 0.000 1.740 167 M HN 0.484 nan 8.290 nan 0.000 0.464 168 E N 1.088 121.207 120.200 -0.135 0.000 2.908 168 E HA -0.270 -11.012 4.350 -25.154 0.000 0.277 168 E C 0.942 177.457 176.600 -0.140 0.000 0.971 168 E CA 2.237 58.563 56.400 -0.124 0.000 1.114 168 E CB -0.784 28.842 29.700 -0.125 0.000 1.189 168 E HN 0.983 nan 8.360 nan 0.000 0.469 169 G N 1.450 110.169 108.800 -0.135 0.000 3.709 169 G HA2 0.385 -10.747 3.960 -25.154 0.000 0.272 169 G HA3 0.385 -10.747 3.960 -25.154 0.000 0.272 169 G C 0.329 175.134 174.900 -0.157 0.000 1.259 169 G CA 0.296 45.320 45.100 -0.127 0.000 1.512 169 G HN 0.277 nan 8.290 nan 0.000 0.625 170 M N -1.972 117.488 119.600 -0.233 0.000 2.773 170 M HA 0.476 -10.136 4.480 -25.154 0.000 0.270 170 M C -1.941 174.131 176.300 -0.380 0.000 1.238 170 M CA -1.038 54.115 55.300 -0.246 0.000 0.832 170 M CB 1.728 34.256 32.600 -0.120 0.000 1.672 170 M HN -0.092 nan 8.290 nan 0.000 0.480 171 H N 1.502 120.545 119.070 -0.046 0.000 2.476 171 H HA 0.431 -10.105 4.556 -25.154 0.000 0.328 171 H C -0.467 174.832 175.328 -0.050 0.000 1.073 171 H CA -0.124 55.889 56.048 -0.058 0.000 1.229 171 H CB 1.814 31.551 29.762 -0.042 0.000 1.432 171 H HN 0.852 nan 8.280 nan 0.000 0.477 172 T N 0.075 114.609 114.554 -0.033 0.000 2.868 172 T HA 0.055 -10.687 4.350 -25.154 0.000 0.292 172 T C 0.881 175.588 174.700 0.012 0.000 1.028 172 T CA -0.446 61.604 62.100 -0.083 0.000 1.059 172 T CB 1.803 70.331 68.868 -0.566 0.000 0.991 172 T HN 0.539 nan 8.240 nan 0.000 0.531 173 N N 0.724 119.504 118.700 0.134 0.000 3.251 173 N HA 0.169 -10.183 4.740 -25.154 0.000 0.227 173 N C -0.216 175.313 175.510 0.031 0.000 1.084 173 N CA 0.221 53.330 53.050 0.099 0.000 1.167 173 N CB 0.665 39.184 38.487 0.053 0.000 1.548 173 N HN 0.822 nan 8.380 nan 0.000 0.592 174 Q N -1.130 118.600 119.800 -0.116 0.000 2.605 174 Q HA 0.510 -10.242 4.340 -25.154 0.000 0.296 174 Q C -1.501 174.277 176.000 -0.369 0.000 1.056 174 Q CA -0.949 54.326 55.803 -0.880 0.000 0.778 174 Q CB 2.892 31.073 28.738 -0.929 0.000 1.497 174 Q HN 0.337 nan 8.270 nan 0.000 0.443 175 F N -1.235 118.215 119.950 -0.833 0.000 2.668 175 F HA 0.818 -9.748 4.527 -25.156 0.000 0.309 175 F C -2.189 173.483 175.800 -0.212 0.000 1.117 175 F CA -1.035 56.761 58.000 -0.340 0.000 0.951 175 F CB 1.263 40.033 39.000 -0.383 0.000 1.323 175 F HN 0.374 nan 8.300 nan 0.000 0.451 176 L N 1.649 122.707 121.223 -0.275 0.000 2.415 176 L HA 0.763 -9.989 4.340 -25.154 0.000 0.256 176 L C 0.388 177.164 176.870 -0.158 0.000 1.010 176 L CA -1.278 53.330 54.840 -0.385 0.000 0.826 176 L CB 2.072 43.766 42.059 -0.609 0.000 1.405 176 L HN 1.057 nan 8.230 nan 0.000 0.410 177 G N -0.421 108.251 108.800 -0.213 0.000 2.636 177 G HA2 0.321 -10.811 3.960 -25.154 0.000 0.246 177 G HA3 0.321 -10.811 3.960 -25.154 0.000 0.246 177 G C 0.869 175.765 174.900 -0.007 0.000 1.216 177 G CA 0.201 45.235 45.100 -0.110 0.000 0.854 177 G HN 0.876 nan 8.290 nan 0.000 0.572 178 G N -0.914 107.945 108.800 0.097 0.000 2.920 178 G HA2 0.523 -10.609 3.960 -25.154 0.000 0.208 178 G HA3 0.523 -10.609 3.960 -25.154 0.000 0.208 178 G C 0.844 175.796 174.900 0.088 0.000 1.159 178 G CA 1.213 46.385 45.100 0.121 0.000 0.784 178 G HN 2.139 nan 8.290 nan 0.000 0.535 179 A N -2.670 120.193 122.820 0.072 0.000 2.449 179 A HA 0.468 -10.304 4.320 -25.154 0.000 0.686 179 A C 1.362 179.005 177.584 0.099 0.000 0.150 179 A CA 0.597 52.676 52.037 0.071 0.000 0.035 179 A CB -1.078 17.964 19.000 0.070 0.000 3.971 179 A HN 2.412 nan 8.150 nan 0.000 0.548 180 G N -1.548 107.313 108.800 0.101 0.000 2.527 180 G HA2 0.227 -10.905 3.960 -25.154 0.000 0.268 180 G HA3 0.227 -10.905 3.960 -25.154 0.000 0.268 180 G C 0.299 175.296 174.900 0.162 0.000 1.175 180 G CA 0.595 45.764 45.100 0.116 0.000 0.962 180 G HN 2.361 nan 8.290 nan 0.000 0.560 181 V N 1.173 121.190 119.914 0.171 0.000 2.448 181 V HA 0.768 -10.204 4.120 -25.154 0.000 0.295 181 V C 0.920 177.130 176.094 0.194 0.000 1.025 181 V CA 0.303 62.716 62.300 0.188 0.000 0.859 181 V CB 0.755 32.679 31.823 0.170 0.000 0.988 181 V HN 1.837 nan 8.190 nan 0.000 0.431 182 A N 5.550 128.489 122.820 0.198 0.000 2.806 182 A HA 1.005 -9.767 4.320 -25.154 0.000 0.254 182 A C -0.308 177.315 177.584 0.064 0.000 1.437 182 A CA -0.606 51.520 52.037 0.150 0.000 0.903 182 A CB 1.082 20.174 19.000 0.153 0.000 1.609 182 A HN 1.053 nan 8.150 nan 0.000 0.505 183 I N -3.391 117.176 120.570 -0.004 0.000 3.095 183 I HA 0.729 -10.193 4.170 -25.154 0.000 0.310 183 I C -1.401 174.674 176.117 -0.071 0.000 1.196 183 I CA -1.117 60.175 61.300 -0.013 0.000 0.985 183 I CB 2.002 40.009 38.000 0.011 0.000 1.250 183 I HN 0.253 nan 8.210 nan 0.000 0.446 184 V N 3.209 123.091 119.914 -0.054 0.000 2.394 184 V HA 0.660 -10.312 4.120 -25.154 0.000 0.282 184 V C 0.837 176.896 176.094 -0.059 0.000 1.031 184 V CA -0.301 61.951 62.300 -0.080 0.000 0.881 184 V CB 1.050 32.832 31.823 -0.069 0.000 0.982 184 V HN 0.935 nan 8.190 nan 0.000 0.451 185 A N 3.735 126.511 122.820 -0.073 0.000 2.313 185 A HA 0.426 -10.347 4.320 -25.154 0.000 0.261 185 A C 1.542 179.089 177.584 -0.063 0.000 1.090 185 A CA 0.327 52.325 52.037 -0.066 0.000 0.807 185 A CB 0.325 19.274 19.000 -0.086 0.000 1.055 185 A HN 1.201 nan 8.150 nan 0.000 0.492 186 S N 0.302 115.968 115.700 -0.057 0.000 2.500 186 S HA -0.173 -10.795 4.470 -25.154 0.000 0.239 186 S C 0.978 175.544 174.600 -0.057 0.000 0.989 186 S CA 1.309 59.477 58.200 -0.053 0.000 0.951 186 S CB -0.568 62.600 63.200 -0.053 0.000 0.759 186 S HN 0.906 nan 8.310 nan 0.000 0.523 187 N N 0.895 119.555 118.700 -0.067 0.000 2.336 187 N HA 0.248 -10.104 4.740 -25.154 0.000 0.189 187 N C 1.238 176.705 175.510 -0.072 0.000 1.113 187 N CA 0.634 53.644 53.050 -0.067 0.000 0.858 187 N CB -0.341 38.103 38.487 -0.072 0.000 0.970 187 N HN 0.568 nan 8.380 nan 0.000 0.471 188 G N -0.332 108.422 108.800 -0.078 0.000 2.195 188 G HA2 -0.289 -11.421 3.960 -25.154 0.000 0.246 188 G HA3 -0.289 -11.421 3.960 -25.154 0.000 0.246 188 G C -0.327 174.499 174.900 -0.123 0.000 0.984 188 G CA -0.103 44.942 45.100 -0.090 0.000 0.633 188 G HN 0.466 nan 8.290 nan 0.000 0.525 189 N N 0.802 119.430 118.700 -0.120 0.000 2.492 189 N HA 0.407 -9.945 4.740 -25.154 0.000 0.262 189 N C 0.781 176.189 175.510 -0.169 0.000 1.202 189 N CA 0.019 52.985 53.050 -0.140 0.000 0.926 189 N CB 0.578 39.012 38.487 -0.088 0.000 1.078 189 N HN 0.388 nan 8.380 nan 0.000 0.454 190 L N 1.583 122.651 121.223 -0.258 0.000 2.410 190 L HA 0.235 -10.517 4.340 -25.154 0.000 0.273 190 L C -0.172 176.627 176.870 -0.117 0.000 1.152 190 L CA -0.338 54.343 54.840 -0.265 0.000 0.855 190 L CB 0.454 42.285 42.059 -0.380 0.000 1.129 190 L HN 0.102 nan 8.230 nan 0.000 0.463 191 V N 4.361 124.208 119.914 -0.110 0.000 2.447 191 V HA 0.298 -10.675 4.120 -25.154 0.000 0.292 191 V C -0.851 175.270 176.094 0.043 0.000 1.021 191 V CA -0.535 61.789 62.300 0.039 0.000 0.850 191 V CB 1.305 33.141 31.823 0.021 0.000 1.005 191 V HN 0.434 nan 8.190 nan 0.000 0.426 192 Y N 6.271 126.760 120.300 0.316 0.000 2.342 192 Y HA 0.453 -10.090 4.550 -25.156 0.000 0.338 192 Y C -2.113 173.973 175.900 0.310 0.000 0.965 192 Y CA -2.656 55.623 58.100 0.299 0.000 1.159 192 Y CB 2.315 40.980 38.460 0.342 0.000 1.157 192 Y HN 0.450 nan 8.280 nan 0.000 0.486 193 P HA 0.104 nan 4.420 nan 0.000 0.276 193 P C -0.972 176.548 177.300 0.368 0.000 1.235 193 P CA -0.115 63.216 63.100 0.385 0.000 0.772 193 P CB 1.123 33.015 31.700 0.321 0.000 0.871 194 V N 1.059 121.186 119.914 0.355 0.000 2.914 194 V HA 0.641 -10.332 4.120 -25.154 0.000 0.314 194 V C -0.557 175.675 176.094 0.231 0.000 1.084 194 V CA -1.114 61.351 62.300 0.275 0.000 0.963 194 V CB 1.853 33.840 31.823 0.274 0.000 1.025 194 V HN 0.563 nan 8.190 nan 0.000 0.432 195 Q N 1.987 121.905 119.800 0.196 0.000 2.293 195 Q HA 0.842 -9.910 4.340 -25.154 0.000 0.261 195 Q C -1.304 174.818 176.000 0.202 0.000 0.960 195 Q CA -0.793 55.121 55.803 0.185 0.000 0.882 195 Q CB 2.138 31.051 28.738 0.291 0.000 1.275 195 Q HN 0.637 nan 8.270 nan 0.000 0.445 196 V N 1.651 121.490 119.914 -0.125 0.000 2.823 196 V HA 0.578 -10.394 4.120 -25.154 0.000 0.312 196 V C -0.049 175.784 176.094 -0.435 0.000 1.072 196 V CA -0.723 61.415 62.300 -0.270 0.000 0.937 196 V CB 2.001 33.407 31.823 -0.695 0.000 1.013 196 V HN 1.021 nan 8.190 nan 0.000 0.430 197 T N 0.349 114.840 114.554 -0.104 0.000 2.918 197 T HA 0.658 -10.084 4.350 -25.154 0.000 0.286 197 T C -0.403 174.390 174.700 0.155 0.000 1.026 197 T CA -0.844 61.220 62.100 -0.060 0.000 1.031 197 T CB 1.883 70.622 68.868 -0.214 0.000 1.046 197 T HN 0.784 nan 8.240 nan 0.000 0.479 198 N N 0.510 119.348 118.700 0.230 0.000 2.671 198 N HA 0.383 -9.969 4.740 -25.154 0.000 0.303 198 N C 0.542 176.094 175.510 0.070 0.000 1.277 198 N CA -1.178 51.982 53.050 0.183 0.000 0.933 198 N CB 0.516 39.118 38.487 0.192 0.000 1.190 198 N HN 0.357 nan 8.380 nan 0.000 0.600 199 K N -0.226 120.215 120.400 0.069 0.000 2.486 199 K HA 0.059 -10.713 4.320 -25.154 0.000 0.194 199 K C 0.349 176.950 176.600 0.001 0.000 1.033 199 K CA 0.565 56.875 56.287 0.038 0.000 1.004 199 K CB -0.124 32.406 32.500 0.050 0.000 0.798 199 K HN 0.577 nan 8.250 nan 0.000 0.495 200 K N 0.557 120.942 120.400 -0.026 0.000 2.404 200 K HA 0.072 -10.700 4.320 -25.154 0.000 0.194 200 K C -0.071 176.478 176.600 -0.085 0.000 1.023 200 K CA 0.015 56.260 56.287 -0.070 0.000 1.094 200 K CB 0.246 32.672 32.500 -0.125 0.000 0.841 200 K HN 0.006 nan 8.250 nan 0.000 0.523 201 K N 0.496 120.856 120.400 -0.066 0.000 3.281 201 K HA -0.223 -10.995 4.320 -25.154 0.000 0.295 201 K C -0.721 175.813 176.600 -0.110 0.000 1.233 201 K CA 0.685 56.916 56.287 -0.092 0.000 0.866 201 K CB -1.574 30.876 32.500 -0.083 0.000 1.265 201 K HN 0.358 nan 8.250 nan 0.000 0.482 202 Q N 0.597 120.338 119.800 -0.099 0.000 2.299 202 Q HA 0.459 -10.293 4.340 -25.154 0.000 0.246 202 Q C -0.200 175.874 176.000 0.123 0.000 0.935 202 Q CA -0.373 55.389 55.803 -0.069 0.000 0.887 202 Q CB 2.139 30.648 28.738 -0.382 0.000 1.223 202 Q HN 0.111 nan 8.270 nan 0.000 0.439 203 V N 3.747 123.771 119.914 0.182 0.000 2.581 203 V HA 0.763 -10.210 4.120 -25.154 0.000 0.303 203 V C -1.337 174.996 176.094 0.398 0.000 1.041 203 V CA -0.398 61.986 62.300 0.139 0.000 0.907 203 V CB 0.859 32.674 31.823 -0.013 0.000 0.994 203 V HN 0.709 nan 8.190 nan 0.000 0.442 204 F N 2.405 122.453 119.950 0.163 0.000 2.711 204 F HA 0.814 -9.753 4.527 -25.156 0.000 0.313 204 F C -0.566 175.266 175.800 0.055 0.000 1.141 204 F CA -0.859 57.178 58.000 0.061 0.000 0.941 204 F CB 1.372 40.327 39.000 -0.075 0.000 1.349 204 F HN 0.286 nan 8.300 nan 0.000 0.464 205 S N 1.186 116.931 115.700 0.076 0.000 2.537 205 S HA 0.732 -9.890 4.470 -25.154 0.000 0.301 205 S C -0.879 173.752 174.600 0.051 0.000 1.092 205 S CA -0.916 57.346 58.200 0.103 0.000 1.048 205 S CB 1.630 64.993 63.200 0.272 0.000 1.053 205 S HN 0.478 nan 8.310 nan 0.000 0.501 206 K N 1.007 121.593 120.400 0.310 0.000 2.466 206 K HA 0.530 -10.242 4.320 -25.154 0.000 0.260 206 K C -1.283 175.732 176.600 0.691 0.000 1.011 206 K CA -0.791 55.798 56.287 0.503 0.000 0.871 206 K CB 1.276 34.086 32.500 0.518 0.000 1.404 206 K HN 0.369 nan 8.250 nan 0.000 0.450 207 I N 1.658 122.664 120.570 0.726 0.000 2.354 207 I HA 0.359 -10.563 4.170 -25.154 0.000 0.292 207 I C -0.584 175.863 176.117 0.551 0.000 0.989 207 I CA -0.577 61.053 61.300 0.550 0.000 1.188 207 I CB 0.582 38.821 38.000 0.397 0.000 1.342 207 I HN 0.486 nan 8.210 nan 0.000 0.457 208 F N 9.351 129.455 119.950 0.257 0.000 2.445 208 F HA 0.534 -10.032 4.527 -25.155 0.000 0.348 208 F C -1.063 174.977 175.800 0.400 0.000 1.125 208 F CA -0.626 57.374 58.000 0.000 0.000 0.983 208 F CB 0.897 39.748 39.000 -0.248 0.000 1.198 208 F HN 0.431 nan 8.300 nan 0.000 0.436 209 Y N 2.321 122.575 120.300 -0.077 0.000 2.609 209 Y HA 0.759 -9.783 4.550 -25.154 0.000 0.342 209 Y C -1.339 174.251 175.900 -0.517 0.000 1.058 209 Y CA -1.719 56.319 58.100 -0.103 0.000 1.055 209 Y CB 1.459 39.863 38.460 -0.093 0.000 1.292 209 Y HN 0.362 nan 8.280 nan 0.000 0.476 210 S N 0.349 115.614 115.700 -0.725 0.000 2.594 210 S HA 0.379 -10.243 4.470 -25.154 0.000 0.296 210 S C -0.526 173.737 174.600 -0.563 0.000 1.124 210 S CA -0.636 56.881 58.200 -1.139 0.000 1.011 210 S CB 1.221 63.171 63.200 -2.083 0.000 1.016 210 S HN 0.846 nan 8.310 nan 0.000 0.485 211 E N 1.883 121.828 120.200 -0.425 0.000 2.474 211 E HA 0.075 -10.668 4.350 -25.154 0.000 0.195 211 E C -0.524 175.927 176.600 -0.249 0.000 1.039 211 E CA 0.161 56.420 56.400 -0.235 0.000 0.881 211 E CB 0.242 29.863 29.700 -0.132 0.000 0.970 211 E HN 0.721 nan 8.360 nan 0.000 0.486 212 D N -0.031 120.163 120.400 -0.342 0.000 2.945 212 D HA 0.023 -10.430 4.640 -25.154 0.000 0.366 212 D C -0.433 175.723 176.300 -0.239 0.000 1.352 212 D CA -0.383 53.470 54.000 -0.245 0.000 0.810 212 D CB 0.004 40.682 40.800 -0.202 0.000 1.170 212 D HN -0.183 nan 8.370 nan 0.000 0.461 213 E N -0.100 119.935 120.200 -0.274 0.000 2.722 213 E HA -0.203 -10.945 4.350 -25.154 0.000 0.265 213 E C 1.142 177.642 176.600 -0.168 0.000 1.081 213 E CA 1.079 57.352 56.400 -0.211 0.000 0.781 213 E CB -2.122 27.551 29.700 -0.046 0.000 1.372 213 E HN 0.933 nan 8.360 nan 0.000 0.423 214 G N -0.525 108.036 108.800 -0.399 0.000 2.157 214 G HA2 -0.363 -11.495 3.960 -25.154 0.000 0.239 214 G HA3 -0.363 -11.495 3.960 -25.154 0.000 0.239 214 G C 0.967 175.869 174.900 0.003 0.000 0.982 214 G CA 0.567 45.537 45.100 -0.216 0.000 0.650 214 G HN 0.205 nan 8.290 nan 0.000 0.527 215 K N 0.411 120.732 120.400 -0.132 0.000 2.062 215 K HA 0.078 -10.694 4.320 -25.154 0.000 0.205 215 K C 1.590 178.156 176.600 -0.057 0.000 1.051 215 K CA 1.835 58.125 56.287 0.005 0.000 0.941 215 K CB -0.380 32.120 32.500 -0.001 0.000 0.719 215 K HN 0.868 nan 8.250 nan 0.000 0.440 216 T N -2.676 111.613 114.554 -0.442 0.000 2.916 216 T HA 0.588 -10.154 4.350 -25.154 0.000 0.292 216 T C -1.110 172.789 174.700 -1.335 0.000 1.055 216 T CA -0.941 60.692 62.100 -0.777 0.000 1.009 216 T CB 1.581 70.239 68.868 -0.350 0.000 1.118 216 T HN 0.098 nan 8.240 nan 0.000 0.497 217 W N 0.368 120.800 121.300 -1.446 0.000 2.936 217 W HA 0.707 -9.726 4.660 -25.155 0.000 0.338 217 W C -0.306 175.755 176.519 -0.764 0.000 1.121 217 W CA -0.821 55.846 57.345 -1.129 0.000 1.209 217 W CB 2.244 30.914 29.460 -1.317 0.000 1.420 217 W HN 0.656 nan 8.180 nan 0.000 0.516 218 K N 1.367 121.379 120.400 -0.645 0.000 2.435 218 K HA 0.627 -10.145 4.320 -25.154 0.000 0.251 218 K C -1.503 174.920 176.600 -0.295 0.000 0.954 218 K CA -1.048 54.994 56.287 -0.410 0.000 0.820 218 K CB 2.177 34.230 32.500 -0.743 0.000 1.292 218 K HN 0.185 nan 8.250 nan 0.000 0.436 219 F N 0.563 120.613 119.950 0.167 0.000 2.421 219 F HA 0.333 -10.233 4.527 -25.155 0.000 0.337 219 F C 1.205 177.228 175.800 0.372 0.000 1.105 219 F CA -0.268 57.932 58.000 0.334 0.000 1.049 219 F CB 1.533 40.715 39.000 0.303 0.000 1.139 219 F HN 0.594 nan 8.300 nan 0.000 0.479 220 G N 2.493 111.689 108.800 0.661 0.000 2.554 220 G HA2 0.083 -11.050 3.960 -25.154 0.000 0.238 220 G HA3 0.083 -11.050 3.960 -25.154 0.000 0.238 220 G C 0.565 175.720 174.900 0.424 0.000 1.259 220 G CA -0.427 44.995 45.100 0.537 0.000 0.843 220 G HN 0.776 nan 8.290 nan 0.000 0.582 221 K N 0.850 121.434 120.400 0.306 0.000 2.288 221 K HA 0.063 -10.710 4.320 -25.154 0.000 0.201 221 K C 1.748 178.421 176.600 0.122 0.000 1.048 221 K CA 0.817 57.221 56.287 0.195 0.000 0.956 221 K CB 0.116 32.702 32.500 0.143 0.000 0.746 221 K HN 0.528 nan 8.250 nan 0.000 0.461 222 G N 0.739 109.645 108.800 0.177 0.000 2.537 222 G HA2 0.485 -10.648 3.960 -25.154 0.000 0.297 222 G HA3 0.485 -10.648 3.960 -25.154 0.000 0.297 222 G C -0.702 173.906 174.900 -0.487 0.000 1.310 222 G CA -0.604 44.468 45.100 -0.046 0.000 1.027 222 G HN 0.272 nan 8.290 nan 0.000 0.505 223 R N -2.128 117.708 120.500 -1.107 0.000 2.733 223 R HA 0.612 -10.140 4.340 -25.154 0.000 0.272 223 R C -0.182 175.093 176.300 -1.709 0.000 1.029 223 R CA -0.484 54.733 56.100 -1.471 0.000 0.888 223 R CB 0.727 30.624 30.300 -0.671 0.000 1.251 223 R HN 0.740 nan 8.270 nan 0.000 0.464 224 S N 0.730 115.502 115.700 -1.547 0.000 2.641 224 S HA 0.597 -10.025 4.470 -25.154 0.000 0.261 224 S C 0.660 174.930 174.600 -0.549 0.000 1.257 224 S CA -0.363 57.230 58.200 -1.013 0.000 0.983 224 S CB 0.793 63.693 63.200 -0.499 0.000 0.990 224 S HN 0.870 nan 8.310 nan 0.000 0.572 225 A N 0.247 122.938 122.820 -0.215 0.000 2.448 225 A HA 0.441 -10.332 4.320 -25.154 0.000 0.239 225 A C 0.019 177.516 177.584 -0.146 0.000 1.080 225 A CA -0.465 51.478 52.037 -0.157 0.000 0.779 225 A CB -0.690 18.366 19.000 0.093 0.000 1.026 225 A HN 0.675 nan 8.150 nan 0.000 0.499 226 F N 0.184 120.156 119.950 0.036 0.000 2.506 226 F HA 0.401 -10.164 4.527 -25.154 0.000 0.351 226 F C 1.702 177.563 175.800 0.101 0.000 1.136 226 F CA 1.512 59.562 58.000 0.083 0.000 1.298 226 F CB 0.676 39.697 39.000 0.036 0.000 1.145 226 F HN 0.908 nan 8.300 nan 0.000 0.593 227 G N 0.501 109.497 108.800 0.327 0.000 2.195 227 G HA2 -0.258 -11.390 3.960 -25.154 0.000 0.224 227 G HA3 -0.258 -11.390 3.960 -25.154 0.000 0.224 227 G C -0.398 174.618 174.900 0.192 0.000 0.990 227 G CA -0.380 44.850 45.100 0.216 0.000 0.639 227 G HN 0.730 nan 8.290 nan 0.000 0.514 228 C N 2.934 122.360 119.300 0.210 0.000 2.281 228 C HA 0.768 -9.864 4.460 -25.154 0.000 0.336 228 C C 1.112 176.220 174.990 0.196 0.000 1.217 228 C CA 0.117 59.259 59.018 0.206 0.000 1.730 228 C CB -0.200 27.687 27.740 0.244 0.000 2.338 228 C HN 0.895 nan 8.230 nan 0.000 0.521 229 S N 1.300 117.112 115.700 0.187 0.000 2.806 229 S HA 0.567 -10.055 4.470 -25.154 0.000 0.315 229 S C -0.352 174.363 174.600 0.192 0.000 1.127 229 S CA -0.595 57.725 58.200 0.199 0.000 0.918 229 S CB 0.354 63.678 63.200 0.207 0.000 1.240 229 S HN 0.730 nan 8.310 nan 0.000 0.552 230 E N 1.543 121.858 120.200 0.192 0.000 2.106 230 E HA -0.132 -10.874 4.350 -25.154 0.000 0.175 230 E C -2.200 174.491 176.600 0.152 0.000 1.448 230 E CA 0.362 56.848 56.400 0.144 0.000 0.672 230 E CB -1.314 28.433 29.700 0.079 0.000 1.057 230 E HN 0.485 nan 8.360 nan 0.000 0.321 231 P HA 0.131 nan 4.420 nan 0.000 0.275 231 P C -0.470 176.964 177.300 0.223 0.000 1.228 231 P CA -0.088 63.154 63.100 0.236 0.000 0.786 231 P CB 1.606 33.492 31.700 0.310 0.000 0.927 232 V N 1.586 121.642 119.914 0.236 0.000 2.709 232 V HA 0.765 -10.208 4.120 -25.154 0.000 0.308 232 V C -1.025 175.290 176.094 0.369 0.000 1.062 232 V CA -0.727 61.739 62.300 0.276 0.000 0.901 232 V CB 1.716 33.700 31.823 0.268 0.000 1.003 232 V HN 0.855 nan 8.190 nan 0.000 0.425 233 A N 5.917 128.934 122.820 0.328 0.000 2.469 233 A HA 1.019 -9.754 4.320 -25.154 0.000 0.299 233 A C -1.301 176.389 177.584 0.176 0.000 1.098 233 A CA -0.581 51.630 52.037 0.290 0.000 0.737 233 A CB 1.841 20.948 19.000 0.179 0.000 1.312 233 A HN 1.718 nan 8.150 nan 0.000 0.414 234 L N -1.842 119.426 121.223 0.075 0.000 2.397 234 L HA 0.858 -9.894 4.340 -25.154 0.000 0.251 234 L C -0.493 176.392 176.870 0.025 0.000 1.064 234 L CA -0.636 54.187 54.840 -0.027 0.000 0.859 234 L CB 1.528 43.437 42.059 -0.251 0.000 1.468 234 L HN 0.740 nan 8.230 nan 0.000 0.411 235 E N 0.588 120.815 120.200 0.044 0.000 2.179 235 E HA 0.352 -10.390 4.350 -25.154 0.000 0.275 235 E C -2.066 174.634 176.600 0.167 0.000 0.945 235 E CA -0.735 55.709 56.400 0.072 0.000 0.792 235 E CB 1.561 31.272 29.700 0.018 0.000 1.125 235 E HN 0.689 nan 8.360 nan 0.000 0.397 236 W N 5.363 126.635 121.300 -0.047 0.000 2.968 236 W HA 0.186 -10.229 4.660 -25.124 0.000 0.337 236 W C -0.950 175.553 176.519 -0.026 0.000 1.060 236 W CA -0.487 56.838 57.345 -0.033 0.000 1.240 236 W CB 1.000 30.445 29.460 -0.024 0.000 1.370 236 W HN 0.810 nan 8.180 nan 0.000 0.459 237 E N 3.342 123.321 120.200 -0.368 0.000 2.269 237 E HA -0.232 -10.975 4.350 -25.154 0.000 0.223 237 E C 1.041 177.591 176.600 -0.084 0.000 1.244 237 E CA 1.186 57.430 56.400 -0.260 0.000 0.713 237 E CB -1.290 28.239 29.700 -0.285 0.000 1.178 237 E HN 0.981 nan 8.360 nan 0.000 0.370 238 G N -0.228 108.531 108.800 -0.069 0.000 2.179 238 G HA2 -0.354 -11.486 3.960 -25.154 0.000 0.260 238 G HA3 -0.354 -11.486 3.960 -25.154 0.000 0.260 238 G C 0.136 175.024 174.900 -0.019 0.000 0.977 238 G CA 0.864 45.938 45.100 -0.043 0.000 0.641 238 G HN 0.310 nan 8.290 nan 0.000 0.533 239 K N -0.516 119.896 120.400 0.020 0.000 2.395 239 K HA 0.728 -10.045 4.320 -25.154 0.000 0.247 239 K C -0.010 176.606 176.600 0.026 0.000 0.973 239 K CA -1.026 55.270 56.287 0.016 0.000 0.828 239 K CB 1.954 34.483 32.500 0.048 0.000 1.272 239 K HN 0.084 nan 8.250 nan 0.000 0.439 240 L N 2.876 124.082 121.223 -0.029 0.000 2.305 240 L HA 0.398 -10.354 4.340 -25.154 0.000 0.281 240 L C -0.225 176.641 176.870 -0.007 0.000 1.085 240 L CA -0.453 54.369 54.840 -0.029 0.000 0.813 240 L CB 0.430 42.426 42.059 -0.106 0.000 1.157 240 L HN 0.388 nan 8.230 nan 0.000 0.436 241 I N 4.737 125.350 120.570 0.072 0.000 2.362 241 I HA 0.355 -10.567 4.170 -25.154 0.000 0.289 241 I C -0.511 175.743 176.117 0.229 0.000 0.994 241 I CA -0.395 60.990 61.300 0.143 0.000 1.158 241 I CB 1.689 39.810 38.000 0.202 0.000 1.315 241 I HN 0.448 nan 8.210 nan 0.000 0.451 242 I N 6.418 127.083 120.570 0.158 0.000 2.382 242 I HA 0.293 -10.629 4.170 -25.154 0.000 0.286 242 I C -0.125 176.130 176.117 0.230 0.000 1.002 242 I CA -0.345 61.068 61.300 0.188 0.000 1.135 242 I CB 1.281 39.289 38.000 0.014 0.000 1.288 242 I HN 0.464 nan 8.210 nan 0.000 0.448 243 N N 5.059 123.854 118.700 0.159 0.000 2.444 243 N HA 0.390 -9.962 4.740 -25.154 0.000 0.262 243 N C -0.808 174.750 175.510 0.080 0.000 0.974 243 N CA -0.254 52.764 53.050 -0.054 0.000 0.933 243 N CB 1.483 39.621 38.487 -0.581 0.000 1.137 243 N HN 0.695 nan 8.380 nan 0.000 0.498 244 T N 0.288 114.918 114.554 0.127 0.000 2.888 244 T HA 0.445 -10.297 4.350 -25.154 0.000 0.284 244 T C 0.199 174.983 174.700 0.139 0.000 1.017 244 T CA -0.967 61.244 62.100 0.184 0.000 1.022 244 T CB 1.715 70.756 68.868 0.289 0.000 1.013 244 T HN 0.468 nan 8.240 nan 0.000 0.465 245 R N 1.650 122.238 120.500 0.147 0.000 2.347 245 R HA 0.519 -10.233 4.340 -25.154 0.000 0.304 245 R C -1.339 175.034 176.300 0.123 0.000 1.072 245 R CA -0.443 55.736 56.100 0.132 0.000 0.980 245 R CB 0.274 30.646 30.300 0.119 0.000 0.986 245 R HN 0.586 nan 8.270 nan 0.000 0.448 246 V N 5.070 125.038 119.914 0.090 0.000 2.380 246 V HA 0.138 -10.835 4.120 -25.154 0.000 0.286 246 V C -0.665 175.447 176.094 0.029 0.000 1.015 246 V CA -1.025 61.325 62.300 0.083 0.000 0.834 246 V CB 1.458 33.331 31.823 0.084 0.000 1.009 246 V HN 0.810 nan 8.190 nan 0.000 0.428 247 D N 3.572 123.976 120.400 0.006 0.000 2.455 247 D HA 0.211 -10.241 4.640 -25.154 0.000 0.241 247 D C 0.513 176.757 176.300 -0.093 0.000 1.138 247 D CA 0.574 54.449 54.000 -0.208 0.000 0.877 247 D CB 0.377 41.019 40.800 -0.264 0.000 1.187 247 D HN 0.674 nan 8.370 nan 0.000 0.451 248 Y N -0.629 119.653 120.300 -0.030 0.000 4.604 248 Y HA -0.324 -10.863 4.550 -25.148 0.000 0.230 248 Y C 0.758 176.650 175.900 -0.012 0.000 1.066 248 Y CA 0.658 58.739 58.100 -0.031 0.000 1.990 248 Y CB -1.077 37.364 38.460 -0.031 0.000 1.619 248 Y HN 0.296 nan 8.280 nan 0.000 0.649 249 R N -0.397 120.144 120.500 0.070 0.000 2.781 249 R HA 0.540 -10.212 4.340 -25.154 0.000 0.269 249 R C -0.229 176.070 176.300 -0.002 0.000 1.025 249 R CA -1.281 54.846 56.100 0.045 0.000 0.914 249 R CB 1.036 31.371 30.300 0.059 0.000 1.236 249 R HN 0.115 nan 8.270 nan 0.000 0.465 250 R N 1.295 121.777 120.500 -0.030 0.000 2.594 250 R HA 0.230 -10.522 4.340 -25.154 0.000 0.272 250 R C 0.150 176.407 176.300 -0.071 0.000 1.074 250 R CA -0.298 55.755 56.100 -0.077 0.000 1.105 250 R CB 0.488 30.707 30.300 -0.135 0.000 1.008 250 R HN 0.227 nan 8.270 nan 0.000 0.472 251 R N 2.092 122.546 120.500 -0.077 0.000 2.522 251 R HA 0.061 -10.691 4.340 -25.154 0.000 0.284 251 R C -0.130 176.110 176.300 -0.100 0.000 1.032 251 R CA 0.089 56.161 56.100 -0.047 0.000 1.049 251 R CB 0.240 30.526 30.300 -0.024 0.000 0.956 251 R HN 0.329 nan 8.270 nan 0.000 0.422 252 L N 3.107 124.294 121.223 -0.060 0.000 2.334 252 L HA 0.437 -10.315 4.340 -25.154 0.000 0.277 252 L C -0.331 176.430 176.870 -0.182 0.000 1.075 252 L CA -0.827 53.915 54.840 -0.164 0.000 0.804 252 L CB 1.576 43.569 42.059 -0.109 0.000 1.174 252 L HN 0.291 nan 8.230 nan 0.000 0.438 253 V N 2.598 122.303 119.914 -0.348 0.000 2.588 253 V HA 0.451 -10.521 4.120 -25.154 0.000 0.304 253 V C -0.968 174.910 176.094 -0.360 0.000 1.042 253 V CA -0.674 61.494 62.300 -0.220 0.000 0.877 253 V CB 1.695 33.414 31.823 -0.173 0.000 0.996 253 V HN 0.431 nan 8.190 nan 0.000 0.425 254 Y N 1.554 121.888 120.300 0.057 0.000 2.549 254 Y HA 0.649 -9.888 4.550 -25.146 0.000 0.339 254 Y C 0.309 176.179 175.900 -0.051 0.000 1.053 254 Y CA -0.886 57.244 58.100 0.049 0.000 1.105 254 Y CB 1.880 40.446 38.460 0.177 0.000 1.258 254 Y HN 0.550 nan 8.280 nan 0.000 0.478 255 E N 0.472 120.736 120.200 0.107 0.000 2.238 255 E HA 0.578 -10.164 4.350 -25.154 0.000 0.267 255 E C -1.340 175.213 176.600 -0.079 0.000 0.887 255 E CA -0.878 55.524 56.400 0.003 0.000 0.769 255 E CB 2.261 31.978 29.700 0.028 0.000 1.187 255 E HN 0.396 nan 8.360 nan 0.000 0.416 256 S N 0.815 116.420 115.700 -0.158 0.000 2.619 256 S HA 0.263 -10.359 4.470 -25.154 0.000 0.280 256 S C -0.297 174.239 174.600 -0.107 0.000 1.150 256 S CA -0.566 57.522 58.200 -0.186 0.000 0.978 256 S CB 1.313 64.259 63.200 -0.423 0.000 1.041 256 S HN 0.371 nan 8.310 nan 0.000 0.485 257 S N 2.513 118.179 115.700 -0.056 0.000 2.540 257 S HA 0.123 -10.500 4.470 -25.154 0.000 0.218 257 S C -0.137 174.431 174.600 -0.054 0.000 0.977 257 S CA -0.124 58.050 58.200 -0.043 0.000 0.918 257 S CB -0.069 63.121 63.200 -0.017 0.000 0.806 257 S HN 0.860 nan 8.310 nan 0.000 0.496 258 D N 0.137 120.501 120.400 -0.059 0.000 2.957 258 D HA 0.252 -10.201 4.640 -25.154 0.000 0.352 258 D C 0.283 176.524 176.300 -0.099 0.000 1.352 258 D CA -0.505 53.460 54.000 -0.057 0.000 0.831 258 D CB -0.249 40.547 40.800 -0.007 0.000 1.147 258 D HN -0.168 nan 8.370 nan 0.000 0.467 259 M N 0.925 120.417 119.600 -0.180 0.000 2.302 259 M HA -0.162 -10.775 4.480 -25.154 0.000 0.200 259 M C 1.192 177.416 176.300 -0.127 0.000 0.366 259 M CA 1.155 56.271 55.300 -0.306 0.000 0.440 259 M CB -1.961 30.223 32.600 -0.692 0.000 1.475 259 M HN 0.872 nan 8.290 nan 0.000 0.905 260 G N -0.975 107.798 108.800 -0.046 0.000 2.176 260 G HA2 -0.334 -11.467 3.960 -25.154 0.000 0.253 260 G HA3 -0.334 -11.467 3.960 -25.154 0.000 0.253 260 G C 0.715 175.856 174.900 0.402 0.000 0.979 260 G CA 0.565 45.780 45.100 0.192 0.000 0.641 260 G HN 0.508 nan 8.290 nan 0.000 0.530 261 N N -0.158 118.677 118.700 0.225 0.000 2.270 261 N HA 0.079 -10.273 4.740 -25.154 0.000 0.181 261 N C 1.016 176.679 175.510 0.255 0.000 1.016 261 N CA 1.716 54.903 53.050 0.228 0.000 0.870 261 N CB 0.102 38.674 38.487 0.141 0.000 0.979 261 N HN 0.597 nan 8.380 nan 0.000 0.431 262 T N -0.462 114.243 114.554 0.251 0.000 2.881 262 T HA 0.451 -10.292 4.350 -25.154 0.000 0.290 262 T C -1.907 172.995 174.700 0.336 0.000 1.000 262 T CA -0.624 61.634 62.100 0.263 0.000 0.978 262 T CB 0.410 69.363 68.868 0.141 0.000 0.997 262 T HN -0.020 nan 8.240 nan 0.000 0.443 263 W N 4.622 125.936 121.300 0.023 0.000 2.587 263 W HA 0.708 -9.727 4.660 -25.158 0.000 0.324 263 W C -0.874 175.718 176.519 0.122 0.000 1.040 263 W CA -1.034 56.339 57.345 0.048 0.000 1.222 263 W CB 1.307 30.708 29.460 -0.097 0.000 1.381 263 W HN 0.464 nan 8.180 nan 0.000 0.483 264 L N 2.557 123.989 121.223 0.348 0.000 2.356 264 L HA 0.345 -10.407 4.340 -25.154 0.000 0.277 264 L C 0.352 177.389 176.870 0.279 0.000 0.996 264 L CA -1.110 53.888 54.840 0.264 0.000 0.822 264 L CB 1.912 44.051 42.059 0.133 0.000 1.256 264 L HN 0.414 nan 8.230 nan 0.000 0.413 265 E N 2.115 122.438 120.200 0.204 0.000 2.414 265 E HA 0.127 -10.615 4.350 -25.154 0.000 0.263 265 E C 0.118 176.642 176.600 -0.127 0.000 1.000 265 E CA -0.254 56.081 56.400 -0.107 0.000 0.914 265 E CB 1.218 30.807 29.700 -0.185 0.000 0.948 265 E HN 0.695 nan 8.360 nan 0.000 0.444 266 A N 5.133 127.842 122.820 -0.185 0.000 3.077 266 A HA 0.097 -10.675 4.320 -25.154 0.000 0.255 266 A C 1.225 178.702 177.584 -0.180 0.000 1.728 266 A CA 0.001 51.954 52.037 -0.139 0.000 1.383 266 A CB -0.886 18.046 19.000 -0.113 0.000 1.097 266 A HN 0.593 nan 8.150 nan 0.000 0.634 267 V N -1.574 118.199 119.914 -0.236 0.000 2.759 267 V HA -0.063 -11.036 4.120 -25.154 0.000 0.256 267 V C 1.744 177.720 176.094 -0.197 0.000 1.080 267 V CA 2.151 64.227 62.300 -0.374 0.000 1.101 267 V CB -0.920 30.340 31.823 -0.939 0.000 0.698 267 V HN 0.512 nan 8.190 nan 0.000 0.477 268 G N -0.077 108.660 108.800 -0.105 0.000 2.985 268 G HA2 0.202 -10.930 3.960 -25.154 0.000 0.209 268 G HA3 0.202 -10.930 3.960 -25.154 0.000 0.209 268 G C 1.109 176.005 174.900 -0.007 0.000 1.165 268 G CA 1.152 46.255 45.100 0.006 0.000 0.776 268 G HN 0.718 nan 8.290 nan 0.000 0.541 269 T N -2.613 111.917 114.554 -0.039 0.000 3.451 269 T HA 0.215 -10.527 4.350 -25.154 0.000 0.201 269 T C 1.775 176.398 174.700 -0.128 0.000 0.965 269 T CA -0.121 61.928 62.100 -0.085 0.000 1.088 269 T CB 0.058 68.848 68.868 -0.131 0.000 1.251 269 T HN -0.027 nan 8.240 nan 0.000 0.325 270 L N 1.079 122.186 121.223 -0.193 0.000 2.672 270 L HA 0.436 -10.316 4.340 -25.154 0.000 0.236 270 L C 1.185 177.825 176.870 -0.383 0.000 1.092 270 L CA -0.176 54.461 54.840 -0.338 0.000 0.887 270 L CB 0.497 42.423 42.059 -0.222 0.000 1.168 270 L HN 0.294 nan 8.230 nan 0.000 0.502 271 S N 0.679 116.207 115.700 -0.286 0.000 2.549 271 S HA 0.176 -10.446 4.470 -25.154 0.000 0.283 271 S C 0.946 175.296 174.600 -0.417 0.000 1.320 271 S CA -0.004 58.003 58.200 -0.323 0.000 1.058 271 S CB 0.127 63.140 63.200 -0.313 0.000 0.882 271 S HN 0.408 nan 8.310 nan 0.000 0.498 272 R N 1.440 121.678 120.500 -0.438 0.000 3.954 272 R HA -0.157 -10.910 4.340 -25.154 0.000 0.422 272 R C 0.956 176.899 176.300 -0.596 0.000 1.091 272 R CA 0.869 56.637 56.100 -0.552 0.000 1.168 272 R CB -2.647 27.135 30.300 -0.862 0.000 1.752 272 R HN 0.498 nan 8.270 nan 0.000 0.547 273 V N -0.172 119.364 119.914 -0.629 0.000 2.307 273 V HA -0.143 -11.116 4.120 -25.154 0.000 0.245 273 V C 1.250 176.882 176.094 -0.769 0.000 1.045 273 V CA 1.666 63.486 62.300 -0.801 0.000 1.024 273 V CB -0.155 30.873 31.823 -1.326 0.000 0.651 273 V HN 0.246 nan 8.190 nan 0.000 0.449 274 W N 0.478 121.505 121.300 -0.456 0.000 2.361 274 W HA 0.620 4.417 4.660 -1.439 0.000 0.309 274 W C 0.376 176.693 176.519 -0.337 0.000 1.122 274 W CA -0.537 56.541 57.345 -0.445 0.000 1.208 274 W CB 0.731 29.878 29.460 -0.522 0.000 1.246 274 W HN 0.132 nan 8.180 nan 0.000 0.490 275 G N 3.799 112.567 108.800 -0.054 0.000 2.400 275 G HA2 0.453 -10.680 3.960 -25.154 0.000 0.333 275 G HA3 0.453 -10.680 3.960 -25.154 0.000 0.333 275 G C -1.801 173.048 174.900 -0.086 0.000 1.143 275 G CA -1.238 43.821 45.100 -0.069 0.000 0.914 275 G HN 0.135 nan 8.290 nan 0.000 0.480 276 P HA 0.048 nan 4.420 nan 0.000 0.236 276 P C 0.400 177.758 177.300 0.096 0.000 1.177 276 P CA 0.489 63.599 63.100 0.017 0.000 0.773 276 P CB 0.494 32.205 31.700 0.017 0.000 0.878 277 S N -3.213 112.532 115.700 0.074 0.000 2.615 277 S HA 0.447 -10.176 4.470 -25.154 0.000 0.269 277 S C -2.666 171.994 174.600 0.100 0.000 1.161 277 S CA -1.304 56.965 58.200 0.115 0.000 0.817 277 S CB 1.392 64.634 63.200 0.070 0.000 1.131 277 S HN -0.351 nan 8.310 nan 0.000 0.467 278 P HA -0.062 nan 4.420 nan 0.000 0.217 278 P C 0.600 177.902 177.300 0.004 0.000 1.151 278 P CA 1.403 64.517 63.100 0.023 0.000 0.849 278 P CB 0.081 31.722 31.700 -0.099 0.000 0.787 279 K N -1.603 118.801 120.400 0.006 0.000 2.397 279 K HA 0.250 -10.522 4.320 -25.154 0.000 0.202 279 K C 0.368 176.976 176.600 0.012 0.000 1.022 279 K CA -0.129 56.159 56.287 0.002 0.000 1.141 279 K CB -0.518 31.981 32.500 -0.001 0.000 0.857 279 K HN -0.092 nan 8.250 nan 0.000 0.514 280 S N 2.533 118.243 115.700 0.017 0.000 3.614 280 S HA -0.155 -10.777 4.470 -25.154 0.000 0.360 280 S C 0.238 174.859 174.600 0.036 0.000 1.023 280 S CA 1.106 59.313 58.200 0.013 0.000 1.114 280 S CB -1.423 61.774 63.200 -0.004 0.000 0.907 280 S HN 0.639 nan 8.310 nan 0.000 0.470 281 N N -0.683 118.049 118.700 0.053 0.000 2.387 281 N HA 0.166 -10.186 4.740 -25.154 0.000 0.259 281 N C -0.400 175.228 175.510 0.198 0.000 1.369 281 N CA -0.481 52.641 53.050 0.121 0.000 0.867 281 N CB 0.449 38.984 38.487 0.080 0.000 1.341 281 N HN 0.280 nan 8.380 nan 0.000 0.495 282 Q N -0.017 119.799 119.800 0.028 0.000 2.528 282 Q HA 0.585 -10.167 4.340 -25.154 0.000 0.289 282 Q C -2.860 172.781 176.000 -0.599 0.000 1.091 282 Q CA -1.723 53.983 55.803 -0.162 0.000 0.797 282 Q CB 1.543 30.210 28.738 -0.117 0.000 1.466 282 Q HN 0.027 nan 8.270 nan 0.000 0.436 283 P HA 0.025 nan 4.420 nan 0.000 0.268 283 P C -0.087 176.961 177.300 -0.420 0.000 1.208 283 P CA 0.422 62.954 63.100 -0.947 0.000 0.777 283 P CB 0.419 31.291 31.700 -1.380 0.000 0.875 284 G N 0.571 109.230 108.800 -0.235 0.000 2.531 284 G HA2 0.509 -10.624 3.960 -25.154 0.000 0.253 284 G HA3 0.509 -10.624 3.960 -25.154 0.000 0.253 284 G C -0.613 174.318 174.900 0.051 0.000 1.439 284 G CA -0.239 44.873 45.100 0.020 0.000 1.056 284 G HN 0.554 nan 8.290 nan 0.000 0.555 285 S N -2.191 113.536 115.700 0.044 0.000 2.596 285 S HA 0.390 -10.232 4.470 -25.154 0.000 0.270 285 S C -0.901 173.517 174.600 -0.302 0.000 1.155 285 S CA -0.548 57.557 58.200 -0.157 0.000 0.827 285 S CB 1.750 64.623 63.200 -0.546 0.000 1.130 285 S HN 0.712 nan 8.310 nan 0.000 0.467 286 Q N 1.481 120.832 119.800 -0.748 0.000 2.394 286 Q HA 0.442 -10.310 4.340 -25.154 0.000 0.248 286 Q C -1.131 174.550 176.000 -0.531 0.000 0.992 286 Q CA 0.437 55.767 55.803 -0.787 0.000 0.888 286 Q CB 0.948 28.694 28.738 -1.654 0.000 1.257 286 Q HN 0.619 nan 8.270 nan 0.000 0.462 287 S N 1.608 117.130 115.700 -0.298 0.000 2.541 287 S HA 0.270 -10.352 4.470 -25.154 0.000 0.280 287 S C -1.080 173.439 174.600 -0.136 0.000 1.112 287 S CA -0.574 57.451 58.200 -0.292 0.000 0.925 287 S CB 1.821 64.890 63.200 -0.219 0.000 1.067 287 S HN 0.627 nan 8.310 nan 0.000 0.479 288 S N 2.075 117.687 115.700 -0.148 0.000 2.523 288 S HA 0.678 -9.944 4.470 -25.154 0.000 0.275 288 S C -1.266 173.449 174.600 0.192 0.000 1.281 288 S CA -0.202 58.019 58.200 0.035 0.000 1.050 288 S CB -0.034 63.186 63.200 0.033 0.000 0.937 288 S HN 0.501 nan 8.310 nan 0.000 0.492 289 F N 4.554 124.561 119.950 0.095 0.000 2.831 289 F HA 0.468 -10.081 4.527 -25.127 0.000 0.346 289 F C -0.387 175.504 175.800 0.152 0.000 1.224 289 F CA -0.428 57.678 58.000 0.177 0.000 1.048 289 F CB 1.349 40.483 39.000 0.224 0.000 1.339 289 F HN 0.660 nan 8.300 nan 0.000 0.514 290 T N 2.037 116.595 114.554 0.007 0.000 2.896 290 T HA 0.918 -9.824 4.350 -25.154 0.000 0.297 290 T C -0.902 173.755 174.700 -0.071 0.000 1.108 290 T CA -0.891 61.190 62.100 -0.032 0.000 1.004 290 T CB 1.831 70.754 68.868 0.091 0.000 1.159 290 T HN 0.854 nan 8.240 nan 0.000 0.499 291 A N 1.490 124.306 122.820 -0.007 0.000 2.304 291 A HA 0.859 -9.914 4.320 -25.154 0.000 0.323 291 A C 0.106 177.769 177.584 0.131 0.000 1.195 291 A CA -0.668 51.430 52.037 0.100 0.000 0.826 291 A CB 0.535 19.634 19.000 0.164 0.000 1.184 291 A HN 1.776 nan 8.150 nan 0.000 0.496 292 V N -0.619 119.387 119.914 0.154 0.000 3.160 292 V HA 0.874 -10.098 4.120 -25.154 0.000 0.310 292 V C -0.370 175.813 176.094 0.147 0.000 1.181 292 V CA -0.668 61.730 62.300 0.164 0.000 1.047 292 V CB 1.603 33.519 31.823 0.155 0.000 1.068 292 V HN 0.681 nan 8.190 nan 0.000 0.441 293 T N 2.742 117.403 114.554 0.178 0.000 2.791 293 T HA 0.708 -10.034 4.350 -25.154 0.000 0.288 293 T C -0.501 174.307 174.700 0.179 0.000 0.999 293 T CA 0.055 62.242 62.100 0.144 0.000 0.952 293 T CB 0.571 69.508 68.868 0.114 0.000 0.938 293 T HN 0.617 nan 8.240 nan 0.000 0.444 294 I N 2.779 123.395 120.570 0.076 0.000 2.382 294 I HA 0.287 -10.636 4.170 -25.154 0.000 0.286 294 I C 0.439 176.590 176.117 0.058 0.000 1.002 294 I CA -0.627 60.697 61.300 0.041 0.000 1.135 294 I CB 1.290 39.199 38.000 -0.151 0.000 1.288 294 I HN 0.735 nan 8.210 nan 0.000 0.448 295 E N 4.661 124.914 120.200 0.087 0.000 2.328 295 E HA -0.290 -11.032 4.350 -25.154 0.000 0.233 295 E C 1.058 177.688 176.600 0.051 0.000 1.219 295 E CA 0.632 57.066 56.400 0.057 0.000 0.717 295 E CB -1.243 28.475 29.700 0.028 0.000 1.210 295 E HN 1.230 nan 8.360 nan 0.000 0.381 296 G N -0.131 108.706 108.800 0.062 0.000 2.176 296 G HA2 -0.372 -11.504 3.960 -25.154 0.000 0.253 296 G HA3 -0.372 -11.504 3.960 -25.154 0.000 0.253 296 G C 0.152 175.086 174.900 0.056 0.000 0.979 296 G CA 0.493 45.624 45.100 0.051 0.000 0.641 296 G HN 0.381 nan 8.290 nan 0.000 0.530 297 M N 0.584 120.229 119.600 0.074 0.000 2.227 297 M HA 0.720 -9.893 4.480 -25.154 0.000 0.335 297 M C 0.177 176.547 176.300 0.117 0.000 1.053 297 M CA -1.129 54.231 55.300 0.101 0.000 0.973 297 M CB 1.114 33.799 32.600 0.141 0.000 1.623 297 M HN 0.106 nan 8.290 nan 0.000 0.434 298 R N 3.610 124.170 120.500 0.100 0.000 2.389 298 R HA 0.560 -10.192 4.340 -25.154 0.000 0.295 298 R C -1.201 175.312 176.300 0.354 0.000 1.075 298 R CA -0.122 56.050 56.100 0.120 0.000 1.005 298 R CB 0.451 30.683 30.300 -0.114 0.000 0.987 298 R HN 0.561 nan 8.270 nan 0.000 0.452 299 V N 0.850 121.006 119.914 0.403 0.000 3.202 299 V HA 0.643 -10.329 4.120 -25.154 0.000 0.306 299 V C -0.677 175.618 176.094 0.335 0.000 1.283 299 V CA -1.228 61.342 62.300 0.449 0.000 1.065 299 V CB 2.360 34.366 31.823 0.305 0.000 1.079 299 V HN 0.675 nan 8.190 nan 0.000 0.448 300 M N 1.895 121.608 119.600 0.188 0.000 2.456 300 M HA 0.656 -9.956 4.480 -25.154 0.000 0.324 300 M C -1.266 175.161 176.300 0.212 0.000 1.124 300 M CA -0.416 54.941 55.300 0.095 0.000 0.959 300 M CB 2.111 34.672 32.600 -0.065 0.000 1.692 300 M HN 0.543 nan 8.290 nan 0.000 0.444 301 L N 2.734 124.078 121.223 0.201 0.000 2.317 301 L HA 0.680 -10.072 4.340 -25.154 0.000 0.281 301 L C -1.246 175.867 176.870 0.406 0.000 1.024 301 L CA -0.570 54.432 54.840 0.270 0.000 0.810 301 L CB 1.512 43.670 42.059 0.165 0.000 1.240 301 L HN 0.583 nan 8.230 nan 0.000 0.427 302 F N 2.064 122.152 119.950 0.231 0.000 2.569 302 F HA 0.636 -9.987 4.527 -25.250 0.000 0.312 302 F C -0.389 175.451 175.800 0.067 0.000 1.109 302 F CA -0.353 57.711 58.000 0.106 0.000 0.919 302 F CB 2.043 40.893 39.000 -0.250 0.000 1.211 302 F HN 0.476 nan 8.300 nan 0.000 0.446 303 T N 1.852 115.910 114.554 -0.828 0.000 2.887 303 T HA 0.665 -10.078 4.350 -25.154 0.000 0.288 303 T C -1.489 172.636 174.700 -0.959 0.000 1.021 303 T CA -0.652 61.063 62.100 -0.642 0.000 1.000 303 T CB 1.814 70.502 68.868 -0.300 0.000 1.034 303 T HN 0.928 nan 8.240 nan 0.000 0.467 304 H N 0.920 119.653 119.070 -0.561 0.000 3.094 304 H HA 0.470 -10.040 4.556 -25.110 0.000 0.346 304 H C -3.052 172.207 175.328 -0.114 0.000 1.238 304 H CA -1.258 54.568 56.048 -0.370 0.000 1.209 304 H CB 2.275 31.838 29.762 -0.332 0.000 1.911 304 H HN 0.548 nan 8.280 nan 0.000 0.540 305 P HA 0.064 nan 4.420 nan 0.000 0.274 305 P C 0.346 177.786 177.300 0.233 0.000 1.231 305 P CA -0.227 62.889 63.100 0.027 0.000 0.790 305 P CB 1.623 33.290 31.700 -0.055 0.000 0.951 306 L N 0.519 121.801 121.223 0.098 0.000 2.270 306 L HA -0.001 -10.754 4.340 -25.154 0.000 0.210 306 L C 0.821 177.819 176.870 0.214 0.000 1.104 306 L CA 0.640 55.578 54.840 0.164 0.000 0.804 306 L CB -0.772 41.289 42.059 0.004 0.000 0.937 306 L HN 0.485 nan 8.230 nan 0.000 0.450 307 N N -0.410 118.353 118.700 0.106 0.000 2.738 307 N HA -0.253 -10.605 4.740 -25.154 0.000 0.249 307 N C 0.534 176.211 175.510 0.279 0.000 1.047 307 N CA 0.378 53.515 53.050 0.146 0.000 0.707 307 N CB -1.518 37.044 38.487 0.126 0.000 0.937 307 N HN 0.320 nan 8.380 nan 0.000 0.545 308 F N -0.039 119.940 119.950 0.049 0.000 2.216 308 F HA -0.173 -10.746 4.527 -25.167 0.000 0.300 308 F C 2.021 177.841 175.800 0.034 0.000 1.085 308 F CA 0.824 58.848 58.000 0.040 0.000 1.326 308 F CB 0.047 39.069 39.000 0.037 0.000 1.027 308 F HN 0.211 nan 8.300 nan 0.000 0.497 309 K N 0.374 120.912 120.400 0.230 0.000 2.217 309 K HA 0.140 -10.632 4.320 -25.154 0.000 0.202 309 K C 1.022 177.687 176.600 0.109 0.000 1.051 309 K CA 0.537 56.910 56.287 0.143 0.000 0.952 309 K CB -0.284 32.281 32.500 0.109 0.000 0.736 309 K HN 0.346 nan 8.250 nan 0.000 0.453 310 G N 0.901 109.760 108.800 0.097 0.000 2.710 310 G HA2 -0.241 -11.373 3.960 -25.154 0.000 0.668 310 G HA3 -0.241 -11.373 3.960 -25.154 0.000 0.668 310 G C -0.514 174.404 174.900 0.031 0.000 1.320 310 G CA -0.366 44.764 45.100 0.051 0.000 0.860 310 G HN 0.271 nan 8.290 nan 0.000 0.538 311 R N -2.134 118.338 120.500 -0.046 0.000 3.895 311 R HA -0.226 -10.978 4.340 -25.154 0.000 0.431 311 R C 0.989 177.180 176.300 -0.180 0.000 0.241 311 R CA 2.079 58.117 56.100 -0.104 0.000 1.369 311 R CB -1.345 29.076 30.300 0.201 0.000 1.017 311 R HN 0.818 nan 8.270 nan 0.000 0.556 312 W N 1.261 122.605 121.300 0.074 0.000 3.239 312 W HA 0.211 -10.218 4.660 -25.148 0.000 0.348 312 W C 1.724 178.293 176.519 0.083 0.000 1.183 312 W CA -0.097 57.293 57.345 0.074 0.000 1.819 312 W CB -0.098 29.411 29.460 0.081 0.000 1.091 312 W HN 0.338 nan 8.180 nan 0.000 0.629 313 L N 0.693 122.055 121.223 0.232 0.000 2.012 313 L HA -0.131 -10.883 4.340 -25.154 0.000 0.210 313 L C 1.203 178.144 176.870 0.119 0.000 1.073 313 L CA 1.413 56.347 54.840 0.156 0.000 0.748 313 L CB -0.653 41.473 42.059 0.112 0.000 0.891 313 L HN -0.068 nan 8.230 nan 0.000 0.431 314 R N 1.081 121.638 120.500 0.096 0.000 3.267 314 R HA -0.138 -10.890 4.340 -25.154 0.000 0.254 314 R C -0.358 175.961 176.300 0.031 0.000 0.993 314 R CA 0.563 56.705 56.100 0.070 0.000 0.670 314 R CB -1.850 28.509 30.300 0.097 0.000 1.125 314 R HN 0.626 nan 8.270 nan 0.000 0.434 315 D N 0.702 121.106 120.400 0.006 0.000 2.363 315 D HA 0.104 -10.348 4.640 -25.154 0.000 0.240 315 D C 0.025 176.251 176.300 -0.124 0.000 1.236 315 D CA -0.376 53.593 54.000 -0.052 0.000 0.927 315 D CB 0.442 41.206 40.800 -0.059 0.000 1.150 315 D HN 0.262 nan 8.370 nan 0.000 0.458 316 R N -1.097 119.305 120.500 -0.163 0.000 3.125 316 R HA -0.189 -10.941 4.340 -25.154 0.000 0.258 316 R C -0.625 175.575 176.300 -0.168 0.000 0.968 316 R CA -0.229 55.737 56.100 -0.224 0.000 0.656 316 R CB -1.862 28.183 30.300 -0.425 0.000 1.251 316 R HN 0.431 nan 8.270 nan 0.000 0.428 317 L N 1.768 122.884 121.223 -0.178 0.000 2.534 317 L HA 0.104 -10.648 4.340 -25.154 0.000 0.271 317 L C 0.045 176.813 176.870 -0.170 0.000 1.178 317 L CA 0.766 55.489 54.840 -0.196 0.000 0.907 317 L CB 0.419 42.270 42.059 -0.346 0.000 1.164 317 L HN 0.223 nan 8.230 nan 0.000 0.482 318 N N 3.567 122.209 118.700 -0.096 0.000 2.319 318 N HA 0.647 -9.705 4.740 -25.154 0.000 0.305 318 N C -1.555 173.877 175.510 -0.130 0.000 1.103 318 N CA -0.580 52.392 53.050 -0.129 0.000 0.815 318 N CB 1.753 40.199 38.487 -0.068 0.000 1.288 318 N HN 0.537 nan 8.380 nan 0.000 0.493 319 L N 1.642 122.718 121.223 -0.244 0.000 2.329 319 L HA 0.703 -10.050 4.340 -25.154 0.000 0.279 319 L C -1.750 174.978 176.870 -0.237 0.000 1.014 319 L CA -0.421 54.344 54.840 -0.126 0.000 0.814 319 L CB 0.607 42.620 42.059 -0.076 0.000 1.257 319 L HN 0.556 nan 8.230 nan 0.000 0.424 320 W N 5.199 126.596 121.300 0.162 0.000 2.864 320 W HA 0.667 -8.895 4.660 -23.703 0.000 0.343 320 W C -1.256 175.465 176.519 0.337 0.000 1.109 320 W CA -0.612 56.919 57.345 0.310 0.000 1.192 320 W CB 1.823 31.590 29.460 0.512 0.000 1.426 320 W HN 0.414 nan 8.180 nan 0.000 0.529 321 L N 2.436 124.037 121.223 0.629 0.000 2.385 321 L HA 0.855 -9.898 4.340 -25.154 0.000 0.273 321 L C -0.593 176.664 176.870 0.645 0.000 0.990 321 L CA -0.076 55.068 54.840 0.506 0.000 0.821 321 L CB 1.988 44.259 42.059 0.354 0.000 1.279 321 L HN 0.362 nan 8.230 nan 0.000 0.412 322 T N 1.489 116.367 114.554 0.540 0.000 2.916 322 T HA 0.429 -10.313 4.350 -25.154 0.000 0.305 322 T C -0.703 174.200 174.700 0.339 0.000 1.119 322 T CA -0.259 62.131 62.100 0.484 0.000 1.008 322 T CB 1.136 70.207 68.868 0.339 0.000 1.129 322 T HN 0.759 nan 8.240 nan 0.000 0.480 323 D N 3.018 123.585 120.400 0.278 0.000 2.491 323 D HA 0.151 -10.301 4.640 -25.154 0.000 0.228 323 D C 0.761 177.065 176.300 0.007 0.000 1.183 323 D CA -0.284 53.853 54.000 0.227 0.000 0.827 323 D CB -0.710 40.266 40.800 0.293 0.000 0.989 323 D HN 0.799 nan 8.370 nan 0.000 0.494 324 N N -0.191 118.381 118.700 -0.213 0.000 2.828 324 N HA -0.257 -10.610 4.740 -25.154 0.000 0.248 324 N C 0.260 175.666 175.510 -0.174 0.000 1.044 324 N CA 1.087 53.968 53.050 -0.282 0.000 0.851 324 N CB -0.315 37.907 38.487 -0.440 0.000 1.136 324 N HN 0.466 nan 8.380 nan 0.000 0.572 325 Q N -0.698 118.989 119.800 -0.189 0.000 2.361 325 Q HA 0.219 -10.533 4.340 -25.154 0.000 0.182 325 Q C -0.075 175.767 176.000 -0.263 0.000 0.650 325 Q CA -0.205 55.434 55.803 -0.274 0.000 0.842 325 Q CB 0.429 28.970 28.738 -0.329 0.000 1.211 325 Q HN 0.125 nan 8.270 nan 0.000 0.502 326 R N 0.911 121.193 120.500 -0.364 0.000 2.500 326 R HA 0.539 -10.213 4.340 -25.154 0.000 0.277 326 R C -0.608 175.731 176.300 0.066 0.000 1.026 326 R CA 0.100 56.047 56.100 -0.255 0.000 1.058 326 R CB 1.051 30.902 30.300 -0.748 0.000 1.078 326 R HN 0.138 nan 8.270 nan 0.000 0.509 327 I N 2.306 123.057 120.570 0.302 0.000 2.476 327 I HA 0.205 -10.717 4.170 -25.154 0.000 0.281 327 I C -1.364 175.146 176.117 0.654 0.000 1.040 327 I CA -0.776 60.794 61.300 0.451 0.000 1.094 327 I CB 1.263 39.383 38.000 0.201 0.000 1.219 327 I HN 0.529 nan 8.210 nan 0.000 0.450 328 Y N 6.202 126.895 120.300 0.656 0.000 2.341 328 Y HA 0.408 -10.128 4.550 -25.143 0.000 0.337 328 Y C 0.056 176.174 175.900 0.363 0.000 1.014 328 Y CA -0.682 57.718 58.100 0.500 0.000 1.111 328 Y CB 1.271 39.979 38.460 0.414 0.000 1.194 328 Y HN 0.555 nan 8.280 nan 0.000 0.462 329 N N 4.646 122.994 118.700 -0.586 0.000 2.415 329 N HA 0.130 -10.223 4.740 -25.154 0.000 0.246 329 N C 0.267 175.245 175.510 -0.887 0.000 1.078 329 N CA 0.038 52.483 53.050 -1.008 0.000 0.942 329 N CB 0.944 38.778 38.487 -1.089 0.000 1.140 329 N HN 0.581 nan 8.380 nan 0.000 0.501 330 V N 2.566 122.228 119.914 -0.420 0.000 2.343 330 V HA 0.160 -10.813 4.120 -25.154 0.000 0.247 330 V C 1.486 177.468 176.094 -0.188 0.000 1.051 330 V CA 1.730 63.977 62.300 -0.089 0.000 1.036 330 V CB -1.508 30.328 31.823 0.021 0.000 0.654 330 V HN 0.945 nan 8.190 nan 0.000 0.451 331 G N -1.122 107.486 108.800 -0.321 0.000 2.325 331 G HA2 0.008 -11.124 3.960 -25.154 0.000 0.285 331 G HA3 0.008 -11.124 3.960 -25.154 0.000 0.285 331 G C -0.962 173.802 174.900 -0.227 0.000 1.303 331 G CA -0.228 44.714 45.100 -0.263 0.000 0.970 331 G HN 0.250 nan 8.290 nan 0.000 0.490 332 Q N -0.413 119.289 119.800 -0.164 0.000 2.279 332 Q HA 0.549 -10.203 4.340 -25.154 0.000 0.256 332 Q C 0.713 176.641 176.000 -0.120 0.000 0.937 332 Q CA -0.395 55.319 55.803 -0.149 0.000 0.933 332 Q CB 1.473 30.133 28.738 -0.131 0.000 1.189 332 Q HN 0.449 nan 8.270 nan 0.000 0.417 333 V N 2.557 122.387 119.914 -0.141 0.000 2.685 333 V HA -0.060 -11.032 4.120 -25.154 0.000 0.244 333 V C 0.894 176.934 176.094 -0.089 0.000 1.054 333 V CA 1.198 63.432 62.300 -0.110 0.000 1.076 333 V CB 0.239 31.978 31.823 -0.140 0.000 0.725 333 V HN 0.880 nan 8.190 nan 0.000 0.467 334 S N 0.264 115.851 115.700 -0.188 0.000 2.626 334 S HA 0.456 -10.166 4.470 -25.154 0.000 0.257 334 S C -0.338 174.252 174.600 -0.018 0.000 1.288 334 S CA -0.284 57.865 58.200 -0.085 0.000 0.980 334 S CB 0.806 63.919 63.200 -0.146 0.000 0.975 334 S HN 0.213 nan 8.310 nan 0.000 0.577 335 I N 1.340 121.925 120.570 0.025 0.000 2.378 335 I HA 0.550 -10.373 4.170 -25.154 0.000 0.291 335 I C 1.208 177.322 176.117 -0.005 0.000 0.992 335 I CA -0.087 61.219 61.300 0.010 0.000 1.154 335 I CB 0.897 38.915 38.000 0.030 0.000 1.315 335 I HN 1.124 nan 8.210 nan 0.000 0.448 336 G N 5.594 114.384 108.800 -0.017 0.000 2.596 336 G HA2 -0.339 -11.471 3.960 -25.154 0.000 0.295 336 G HA3 -0.339 -11.471 3.960 -25.154 0.000 0.295 336 G C 0.318 175.198 174.900 -0.034 0.000 1.240 336 G CA 0.638 45.728 45.100 -0.017 0.000 0.985 336 G HN 0.878 nan 8.290 nan 0.000 0.555 337 D N 1.721 122.110 120.400 -0.019 0.000 2.427 337 D HA 0.171 -10.281 4.640 -25.154 0.000 0.224 337 D C 0.927 177.215 176.300 -0.020 0.000 1.157 337 D CA 0.650 54.633 54.000 -0.027 0.000 0.828 337 D CB -0.612 40.190 40.800 0.004 0.000 0.974 337 D HN 0.960 nan 8.370 nan 0.000 0.498 338 E N 0.343 120.533 120.200 -0.015 0.000 2.418 338 E HA 0.031 -10.712 4.350 -25.154 0.000 0.261 338 E C -0.326 176.268 176.600 -0.009 0.000 1.070 338 E CA -0.455 55.942 56.400 -0.005 0.000 0.931 338 E CB 0.408 30.117 29.700 0.015 0.000 0.954 338 E HN -0.082 nan 8.360 nan 0.000 0.439 339 N N 1.409 120.104 118.700 -0.008 0.000 2.497 339 N HA 0.092 -10.260 4.740 -25.154 0.000 0.271 339 N C -0.949 174.576 175.510 0.025 0.000 1.142 339 N CA -0.091 52.959 53.050 -0.000 0.000 0.965 339 N CB 1.253 39.727 38.487 -0.021 0.000 1.077 339 N HN 0.582 nan 8.380 nan 0.000 0.462 340 S N -0.798 114.928 115.700 0.044 0.000 2.479 340 S HA 0.515 -10.107 4.470 -25.154 0.000 0.169 340 S C 0.301 174.939 174.600 0.063 0.000 1.181 340 S CA -0.757 57.493 58.200 0.082 0.000 1.169 340 S CB 0.421 63.625 63.200 0.008 0.000 1.384 340 S HN 0.525 nan 8.310 nan 0.000 0.412 341 A N 2.041 124.953 122.820 0.153 0.000 1.849 341 A HA 0.459 -10.313 4.320 -25.154 0.000 0.214 341 A C 0.171 177.910 177.584 0.259 0.000 1.269 341 A CA 0.802 52.955 52.037 0.194 0.000 0.605 341 A CB -0.468 18.709 19.000 0.295 0.000 0.937 341 A HN 0.679 nan 8.150 nan 0.000 0.461 342 Y N 0.393 120.704 120.300 0.017 0.000 2.307 342 Y HA 0.529 -10.008 4.550 -25.146 0.000 0.324 342 Y C 0.773 176.687 175.900 0.024 0.000 1.238 342 Y CA -0.998 57.095 58.100 -0.011 0.000 1.280 342 Y CB 1.058 39.519 38.460 0.001 0.000 1.248 342 Y HN 0.467 nan 8.280 nan 0.000 0.508 343 S N -0.216 115.550 115.700 0.111 0.000 2.588 343 S HA 0.747 -9.875 4.470 -25.154 0.000 0.269 343 S C -1.106 173.541 174.600 0.078 0.000 1.157 343 S CA -0.943 57.321 58.200 0.107 0.000 0.824 343 S CB 2.014 65.227 63.200 0.023 0.000 1.126 343 S HN 0.516 nan 8.310 nan 0.000 0.464 344 S N 0.504 116.276 115.700 0.119 0.000 2.649 344 S HA 0.583 -10.039 4.470 -25.154 0.000 0.274 344 S C -1.492 173.203 174.600 0.159 0.000 1.176 344 S CA -0.490 57.787 58.200 0.129 0.000 0.988 344 S CB 1.016 64.304 63.200 0.146 0.000 1.071 344 S HN 0.865 nan 8.310 nan 0.000 0.478 345 V N 5.422 125.425 119.914 0.149 0.000 2.427 345 V HA 0.650 -10.322 4.120 -25.154 0.000 0.286 345 V C -0.383 175.842 176.094 0.219 0.000 1.034 345 V CA -0.693 61.710 62.300 0.172 0.000 0.893 345 V CB 1.341 33.242 31.823 0.130 0.000 0.982 345 V HN 0.760 nan 8.190 nan 0.000 0.452 346 L N 5.517 126.912 121.223 0.287 0.000 2.362 346 L HA 0.598 -10.154 4.340 -25.154 0.000 0.275 346 L C -1.375 175.747 176.870 0.421 0.000 0.998 346 L CA -0.482 54.560 54.840 0.335 0.000 0.820 346 L CB 1.655 43.926 42.059 0.353 0.000 1.270 346 L HN 0.622 nan 8.230 nan 0.000 0.415 347 Y N 5.191 125.615 120.300 0.206 0.000 2.334 347 Y HA 0.609 -9.930 4.550 -25.148 0.000 0.336 347 Y C -0.941 175.071 175.900 0.187 0.000 0.960 347 Y CA -0.722 57.480 58.100 0.170 0.000 1.164 347 Y CB 0.872 39.398 38.460 0.111 0.000 1.155 347 Y HN 0.720 nan 8.280 nan 0.000 0.478 348 K N 5.392 125.759 120.400 -0.056 0.000 2.535 348 K HA 0.272 -10.501 4.320 -25.154 0.000 0.250 348 K C -1.098 175.432 176.600 -0.117 0.000 0.948 348 K CA -0.453 55.805 56.287 -0.049 0.000 0.796 348 K CB 0.947 33.537 32.500 0.150 0.000 1.216 348 K HN 0.733 nan 8.250 nan 0.000 0.432 349 D N 3.889 124.175 120.400 -0.190 0.000 2.686 349 D HA -0.206 -10.658 4.640 -25.154 0.000 0.235 349 D C -0.359 175.847 176.300 -0.158 0.000 1.160 349 D CA 1.868 55.788 54.000 -0.133 0.000 0.645 349 D CB -0.747 40.034 40.800 -0.032 0.000 1.039 349 D HN 0.995 nan 8.370 nan 0.000 0.423 350 D N -0.939 119.240 120.400 -0.368 0.000 2.837 350 D HA -0.216 -10.668 4.640 -25.154 0.000 0.230 350 D C -0.642 175.647 176.300 -0.018 0.000 1.152 350 D CA 1.262 55.141 54.000 -0.201 0.000 0.736 350 D CB -0.148 40.646 40.800 -0.010 0.000 1.084 350 D HN 0.431 nan 8.370 nan 0.000 0.429 351 K N -0.290 120.058 120.400 -0.088 0.000 2.426 351 K HA 0.599 -10.173 4.320 -25.154 0.000 0.251 351 K C -0.796 175.712 176.600 -0.154 0.000 0.941 351 K CA -1.149 55.071 56.287 -0.111 0.000 0.808 351 K CB 2.180 34.577 32.500 -0.173 0.000 1.265 351 K HN 0.043 nan 8.250 nan 0.000 0.432 352 L N 2.465 123.507 121.223 -0.302 0.000 2.329 352 L HA 0.500 -10.252 4.340 -25.154 0.000 0.279 352 L C -1.618 174.964 176.870 -0.481 0.000 1.014 352 L CA -0.327 54.421 54.840 -0.153 0.000 0.814 352 L CB 0.849 42.897 42.059 -0.019 0.000 1.257 352 L HN 0.501 nan 8.230 nan 0.000 0.424 353 Y N 2.866 123.211 120.300 0.075 0.000 2.581 353 Y HA 0.653 -9.889 4.550 -25.155 0.000 0.345 353 Y C -0.468 175.430 175.900 -0.003 0.000 1.036 353 Y CA -0.623 57.448 58.100 -0.049 0.000 1.042 353 Y CB 2.115 40.575 38.460 0.000 0.000 1.289 353 Y HN 0.662 nan 8.280 nan 0.000 0.471 354 C N 3.239 122.590 119.300 0.085 0.000 2.535 354 C HA 0.736 -9.896 4.460 -25.154 0.000 0.319 354 C C -1.613 173.468 174.990 0.151 0.000 1.171 354 C CA -0.742 58.363 59.018 0.145 0.000 1.394 354 C CB 0.208 28.035 27.740 0.146 0.000 1.990 354 C HN 0.792 nan 8.230 nan 0.000 0.466 355 L N 7.850 129.207 121.223 0.224 0.000 2.280 355 L HA 0.717 -10.035 4.340 -25.154 0.000 0.287 355 L C -0.097 176.884 176.870 0.185 0.000 1.023 355 L CA 0.478 55.445 54.840 0.212 0.000 0.819 355 L CB 0.493 42.700 42.059 0.247 0.000 1.212 355 L HN 0.889 nan 8.230 nan 0.000 0.420 356 H N 2.189 121.312 119.070 0.088 0.000 3.008 356 H HA 0.508 -10.024 4.556 -25.146 0.000 0.354 356 H C -1.360 174.013 175.328 0.076 0.000 1.252 356 H CA -1.015 55.076 56.048 0.071 0.000 1.117 356 H CB 1.241 31.032 29.762 0.050 0.000 1.857 356 H HN 0.560 nan 8.280 nan 0.000 0.547 357 E N 1.579 121.956 120.200 0.295 0.000 2.366 357 E HA 0.323 -10.419 4.350 -25.154 0.000 0.266 357 E C 0.004 176.768 176.600 0.273 0.000 1.051 357 E CA -0.447 56.096 56.400 0.238 0.000 0.884 357 E CB 1.481 31.346 29.700 0.275 0.000 1.006 357 E HN 0.440 nan 8.360 nan 0.000 0.417 358 I N -0.308 120.349 120.570 0.145 0.000 2.545 358 I HA 0.461 -10.462 4.170 -25.154 0.000 0.292 358 I C -0.900 175.194 176.117 -0.038 0.000 1.040 358 I CA -0.833 60.514 61.300 0.077 0.000 1.068 358 I CB 1.936 39.964 38.000 0.046 0.000 1.251 358 I HN 0.365 nan 8.210 nan 0.000 0.424 359 N N 4.083 122.688 118.700 -0.159 0.000 2.448 359 N HA 0.420 -9.932 4.740 -25.154 0.000 0.279 359 N C -1.540 173.808 175.510 -0.269 0.000 1.025 359 N CA -0.301 52.473 53.050 -0.460 0.000 0.898 359 N CB 1.724 39.765 38.487 -0.743 0.000 1.303 359 N HN 0.711 nan 8.380 nan 0.000 0.495 360 S N 2.682 118.250 115.700 -0.221 0.000 2.552 360 S HA 0.317 -10.305 4.470 -25.154 0.000 0.314 360 S C -0.134 174.398 174.600 -0.113 0.000 1.099 360 S CA -0.649 57.476 58.200 -0.124 0.000 1.070 360 S CB 0.952 64.109 63.200 -0.072 0.000 0.998 360 S HN 0.763 nan 8.310 nan 0.000 0.474 361 N N 2.872 121.526 118.700 -0.076 0.000 2.721 361 N HA -0.151 -10.503 4.740 -25.154 0.000 0.249 361 N C -0.515 174.985 175.510 -0.017 0.000 1.072 361 N CA 1.009 54.040 53.050 -0.032 0.000 0.710 361 N CB -0.783 37.696 38.487 -0.012 0.000 0.993 361 N HN 0.773 nan 8.380 nan 0.000 0.547 362 E N -3.450 116.700 120.200 -0.085 0.000 2.694 362 E HA -0.189 -10.931 4.350 -25.154 0.000 0.272 362 E C -0.591 176.096 176.600 0.145 0.000 1.040 362 E CA 0.823 57.229 56.400 0.010 0.000 0.809 362 E CB -1.821 27.968 29.700 0.149 0.000 1.389 362 E HN 0.405 nan 8.360 nan 0.000 0.413 363 V N 1.138 121.028 119.914 -0.040 0.000 2.409 363 V HA 0.456 -10.516 4.120 -25.154 0.000 0.291 363 V C -0.279 175.788 176.094 -0.046 0.000 1.020 363 V CA -0.692 61.634 62.300 0.043 0.000 0.848 363 V CB 1.062 32.808 31.823 -0.128 0.000 0.990 363 V HN 0.059 nan 8.190 nan 0.000 0.430 364 Y N 1.757 122.072 120.300 0.024 0.000 2.377 364 Y HA 0.676 -9.868 4.550 -25.157 0.000 0.339 364 Y C 0.662 176.613 175.900 0.086 0.000 1.011 364 Y CA -0.424 57.700 58.100 0.039 0.000 1.093 364 Y CB 2.269 40.743 38.460 0.023 0.000 1.201 364 Y HN 0.592 nan 8.280 nan 0.000 0.455 365 S N 2.686 118.512 115.700 0.210 0.000 2.704 365 S HA 0.702 -9.921 4.470 -25.154 0.000 0.305 365 S C -0.966 173.718 174.600 0.139 0.000 1.107 365 S CA -0.888 57.432 58.200 0.202 0.000 0.993 365 S CB 1.061 64.322 63.200 0.101 0.000 1.110 365 S HN 0.446 nan 8.310 nan 0.000 0.534 366 L N 2.254 123.529 121.223 0.087 0.000 2.305 366 L HA 0.570 -10.182 4.340 -25.154 0.000 0.284 366 L C -0.379 176.489 176.870 -0.004 0.000 1.013 366 L CA -0.944 53.900 54.840 0.005 0.000 0.819 366 L CB 1.458 43.458 42.059 -0.098 0.000 1.227 366 L HN 0.449 nan 8.230 nan 0.000 0.417 367 V N 0.028 119.869 119.914 -0.123 0.000 2.617 367 V HA 0.498 -10.474 4.120 -25.154 0.000 0.298 367 V C -0.749 175.335 176.094 -0.016 0.000 1.048 367 V CA -0.626 61.605 62.300 -0.116 0.000 0.964 367 V CB 1.743 33.418 31.823 -0.247 0.000 1.004 367 V HN 0.551 nan 8.190 nan 0.000 0.466 368 F N 3.616 123.521 119.950 -0.074 0.000 2.375 368 F HA 0.828 -9.736 4.527 -25.152 0.000 0.361 368 F C 0.219 176.074 175.800 0.091 0.000 1.117 368 F CA -0.687 57.330 58.000 0.027 0.000 1.037 368 F CB 0.581 39.603 39.000 0.037 0.000 1.192 368 F HN 0.941 nan 8.300 nan 0.000 0.452 369 A N 6.620 129.237 122.820 -0.339 0.000 2.317 369 A HA 0.697 -10.075 4.320 -25.154 0.000 0.327 369 A C -0.474 176.915 177.584 -0.325 0.000 1.178 369 A CA -0.886 51.014 52.037 -0.228 0.000 0.817 369 A CB 0.756 19.729 19.000 -0.046 0.000 1.189 369 A HN 0.826 nan 8.150 nan 0.000 0.489 370 R N 2.405 122.792 120.500 -0.187 0.000 2.204 370 R HA 0.288 -10.464 4.340 -25.154 0.000 0.341 370 R C -0.772 175.443 176.300 -0.141 0.000 1.035 370 R CA -0.199 55.807 56.100 -0.157 0.000 0.887 370 R CB 0.597 30.878 30.300 -0.033 0.000 1.114 370 R HN 0.654 nan 8.270 nan 0.000 0.473 371 L N 4.412 125.525 121.223 -0.183 0.000 2.583 371 L HA 0.069 -10.683 4.340 -25.154 0.000 0.239 371 L C 1.408 178.213 176.870 -0.108 0.000 1.347 371 L CA -0.203 54.569 54.840 -0.113 0.000 1.246 371 L CB 0.198 42.206 42.059 -0.086 0.000 1.496 371 L HN 0.554 nan 8.230 nan 0.000 0.413 372 V N 1.021 120.880 119.914 -0.091 0.000 2.261 372 V HA -0.208 -11.180 4.120 -25.154 0.000 0.246 372 V C 2.480 178.547 176.094 -0.045 0.000 1.047 372 V CA 2.336 64.595 62.300 -0.067 0.000 1.015 372 V CB -0.616 31.180 31.823 -0.046 0.000 0.642 372 V HN 0.795 nan 8.190 nan 0.000 0.446 373 G N -0.700 108.078 108.800 -0.036 0.000 2.422 373 G HA2 -0.220 -11.352 3.960 -25.154 0.000 0.218 373 G HA3 -0.220 -11.352 3.960 -25.154 0.000 0.218 373 G C 1.454 176.337 174.900 -0.027 0.000 1.146 373 G CA 0.857 45.941 45.100 -0.026 0.000 0.769 373 G HN 0.531 nan 8.290 nan 0.000 0.547 374 E N -0.325 119.855 120.200 -0.033 0.000 2.107 374 E HA 0.005 -10.737 4.350 -25.154 0.000 0.191 374 E C 2.265 178.842 176.600 -0.038 0.000 0.982 374 E CA 0.223 56.605 56.400 -0.029 0.000 0.809 374 E CB -0.273 29.408 29.700 -0.032 0.000 0.756 374 E HN 0.329 nan 8.360 nan 0.000 0.459 375 L N 0.956 122.150 121.223 -0.048 0.000 2.093 375 L HA -0.093 -10.845 4.340 -25.154 0.000 0.208 375 L C 2.213 179.050 176.870 -0.055 0.000 1.085 375 L CA 1.705 56.512 54.840 -0.055 0.000 0.755 375 L CB -0.254 41.785 42.059 -0.033 0.000 0.904 375 L HN -0.022 nan 8.230 nan 0.000 0.435 376 R N -0.365 120.109 120.500 -0.044 0.000 2.081 376 R HA -0.161 -10.913 4.340 -25.154 0.000 0.235 376 R C 2.311 178.573 176.300 -0.063 0.000 1.131 376 R CA 2.051 58.124 56.100 -0.045 0.000 0.960 376 R CB -0.407 29.873 30.300 -0.032 0.000 0.856 376 R HN 0.454 nan 8.270 nan 0.000 0.436 377 I N 0.672 121.211 120.570 -0.052 0.000 2.179 377 I HA -0.314 -11.237 4.170 -25.154 0.000 0.242 377 I C 2.316 178.346 176.117 -0.144 0.000 1.088 377 I CA 1.378 62.642 61.300 -0.061 0.000 1.357 377 I CB -0.202 37.807 38.000 0.015 0.000 1.051 377 I HN 0.225 nan 8.210 nan 0.000 0.409 378 I N 0.550 121.045 120.570 -0.125 0.000 2.163 378 I HA -0.338 -11.260 4.170 -25.154 0.000 0.243 378 I C 2.501 178.475 176.117 -0.238 0.000 1.085 378 I CA 1.623 62.809 61.300 -0.189 0.000 1.347 378 I CB -0.367 37.554 38.000 -0.131 0.000 1.044 378 I HN 0.157 nan 8.210 nan 0.000 0.408 379 K N -0.047 120.255 120.400 -0.163 0.000 2.097 379 K HA -0.177 -10.949 4.320 -25.154 0.000 0.206 379 K C 2.353 178.850 176.600 -0.172 0.000 1.049 379 K CA 1.604 57.805 56.287 -0.144 0.000 0.933 379 K CB -0.236 32.214 32.500 -0.083 0.000 0.717 379 K HN 0.189 nan 8.250 nan 0.000 0.442 380 S N 0.529 116.123 115.700 -0.176 0.000 2.368 380 S HA -0.112 -10.734 4.470 -25.154 0.000 0.225 380 S C 1.984 176.420 174.600 -0.273 0.000 1.030 380 S CA 1.091 59.184 58.200 -0.178 0.000 0.999 380 S CB -0.116 63.000 63.200 -0.141 0.000 0.844 380 S HN 0.076 nan 8.310 nan 0.000 0.459 381 V N 2.102 121.755 119.914 -0.435 0.000 2.358 381 V HA -0.099 -11.071 4.120 -25.154 0.000 0.246 381 V C 2.379 177.980 176.094 -0.822 0.000 1.047 381 V CA 1.677 63.551 62.300 -0.711 0.000 1.035 381 V CB -0.660 30.500 31.823 -1.106 0.000 0.658 381 V HN 0.478 nan 8.190 nan 0.000 0.452 382 L N -0.417 120.434 121.223 -0.621 0.000 2.083 382 L HA -0.215 -10.967 4.340 -25.154 0.000 0.209 382 L C 2.625 179.415 176.870 -0.133 0.000 1.083 382 L CA 1.523 56.136 54.840 -0.378 0.000 0.752 382 L CB -0.590 41.347 42.059 -0.203 0.000 0.899 382 L HN 0.357 nan 8.230 nan 0.000 0.433 383 Q N 0.176 119.886 119.800 -0.150 0.000 2.084 383 Q HA -0.166 -10.918 4.340 -25.154 0.000 0.202 383 Q C 2.300 178.249 176.000 -0.085 0.000 0.978 383 Q CA 2.177 57.924 55.803 -0.093 0.000 0.844 383 Q CB -0.167 28.507 28.738 -0.107 0.000 0.898 383 Q HN 0.328 nan 8.270 nan 0.000 0.426 384 S N -0.541 115.095 115.700 -0.108 0.000 2.368 384 S HA -0.132 -10.754 4.470 -25.154 0.000 0.225 384 S C 1.287 176.010 174.600 0.205 0.000 1.030 384 S CA 1.151 59.327 58.200 -0.041 0.000 0.999 384 S CB -0.457 62.769 63.200 0.043 0.000 0.844 384 S HN 0.505 nan 8.310 nan 0.000 0.459 385 W N 2.041 123.416 121.300 0.125 0.000 2.355 385 W HA 0.038 -10.406 4.660 -25.174 0.000 0.309 385 W C 2.384 179.041 176.519 0.231 0.000 1.206 385 W CA 0.484 58.009 57.345 0.301 0.000 1.284 385 W CB -1.073 28.566 29.460 0.298 0.000 1.145 385 W HN 0.301 nan 8.180 nan 0.000 0.502 386 K N 0.239 120.842 120.400 0.338 0.000 2.057 386 K HA -0.187 -10.959 4.320 -25.154 0.000 0.207 386 K C 1.703 178.369 176.600 0.111 0.000 1.049 386 K CA 1.710 58.116 56.287 0.199 0.000 0.931 386 K CB -0.288 32.279 32.500 0.112 0.000 0.714 386 K HN -0.055 nan 8.250 nan 0.000 0.440 387 N N 0.189 118.883 118.700 -0.010 0.000 2.142 387 N HA -0.141 -10.494 4.740 -25.154 0.000 0.186 387 N C 1.445 176.866 175.510 -0.148 0.000 1.023 387 N CA 1.359 54.300 53.050 -0.182 0.000 0.852 387 N CB -0.387 37.852 38.487 -0.412 0.000 0.998 387 N HN 0.367 nan 8.380 nan 0.000 0.424 388 W N 1.376 122.725 121.300 0.081 0.000 2.418 388 W HA -0.040 -10.474 4.660 -25.157 0.000 0.292 388 W C 1.693 178.333 176.519 0.202 0.000 1.213 388 W CA 0.023 57.425 57.345 0.095 0.000 1.283 388 W CB 0.004 29.368 29.460 -0.160 0.000 1.119 388 W HN -0.017 nan 8.180 nan 0.000 0.542 389 D N -0.460 120.202 120.400 0.436 0.000 2.117 389 D HA -0.176 -10.629 4.640 -25.154 0.000 0.198 389 D C 2.198 178.614 176.300 0.193 0.000 0.982 389 D CA 1.658 55.843 54.000 0.308 0.000 0.828 389 D CB -0.780 40.174 40.800 0.256 0.000 0.967 389 D HN -0.021 nan 8.370 nan 0.000 0.464 390 S N -0.566 115.229 115.700 0.159 0.000 2.356 390 S HA -0.224 -10.846 4.470 -25.154 0.000 0.223 390 S C 1.950 176.612 174.600 0.104 0.000 1.032 390 S CA 1.353 59.610 58.200 0.096 0.000 1.005 390 S CB -0.402 62.831 63.200 0.054 0.000 0.867 390 S HN 0.416 nan 8.310 nan 0.000 0.449 391 H N 0.887 119.983 119.070 0.044 0.000 2.289 391 H HA -0.098 -10.635 4.556 -25.155 0.000 0.296 391 H C 2.127 177.505 175.328 0.084 0.000 1.091 391 H CA 2.104 58.174 56.048 0.036 0.000 1.274 391 H CB -0.440 29.382 29.762 0.100 0.000 1.364 391 H HN 0.413 nan 8.280 nan 0.000 0.490 392 L N 0.113 121.291 121.223 -0.075 0.000 2.056 392 L HA -0.139 -10.891 4.340 -25.154 0.000 0.207 392 L C 2.929 179.741 176.870 -0.097 0.000 1.078 392 L CA 1.195 55.931 54.840 -0.173 0.000 0.749 392 L CB -0.371 41.671 42.059 -0.028 0.000 0.901 392 L HN 0.203 nan 8.230 nan 0.000 0.433 393 S N -0.587 115.102 115.700 -0.018 0.000 2.447 393 S HA -0.116 -10.738 4.470 -25.154 0.000 0.233 393 S C 2.046 176.634 174.600 -0.020 0.000 1.006 393 S CA 1.319 59.514 58.200 -0.008 0.000 0.957 393 S CB -0.119 63.094 63.200 0.022 0.000 0.773 393 S HN 0.602 nan 8.310 nan 0.000 0.507 394 S N 0.471 116.155 115.700 -0.027 0.000 2.548 394 S HA 0.245 -10.377 4.470 -25.154 0.000 0.215 394 S C 0.496 175.079 174.600 -0.029 0.000 0.976 394 S CA -0.334 57.856 58.200 -0.016 0.000 0.908 394 S CB -0.468 62.736 63.200 0.006 0.000 0.781 394 S HN 0.350 nan 8.310 nan 0.000 0.519 395 I N 2.125 122.655 120.570 -0.067 0.000 2.683 395 I HA 0.018 -10.904 4.170 -25.154 0.000 0.286 395 I C 0.629 176.725 176.117 -0.035 0.000 1.175 395 I CA -0.438 60.827 61.300 -0.059 0.000 1.429 395 I CB 0.374 38.315 38.000 -0.098 0.000 1.371 395 I HN 0.289 nan 8.210 nan 0.000 0.569 396 c N 7.886 126.474 118.600 -0.019 0.000 2.383 396 c HA 0.297 -10.225 4.570 -25.154 0.000 0.350 396 c C 1.092 175.166 174.090 -0.027 0.000 1.173 396 c CA -0.567 55.751 56.329 -0.018 0.000 1.645 396 c CB -1.401 41.104 42.510 -0.008 0.000 2.221 396 c HN 0.870 nan 8.230 nan 0.000 0.528 397 T N 5.074 119.606 114.554 -0.036 0.000 2.882 397 T HA 0.457 -10.286 4.350 -25.154 0.000 0.287 397 T C -2.644 172.027 174.700 -0.048 0.000 1.014 397 T CA -1.409 60.662 62.100 -0.049 0.000 1.049 397 T CB 0.748 69.582 68.868 -0.056 0.000 1.001 397 T HN 0.517 nan 8.240 nan 0.000 0.525 398 P HA 0.323 nan 4.420 nan 0.000 0.265 398 P C -0.129 177.142 177.300 -0.048 0.000 1.193 398 P CA -0.178 62.886 63.100 -0.060 0.000 0.765 398 P CB 0.131 31.777 31.700 -0.089 0.000 0.823 410 c N 0.849 119.440 118.600 -0.014 0.000 2.351 410 c HA 0.878 -9.644 4.570 -25.154 0.000 0.326 410 c C 1.334 175.412 174.090 -0.020 0.000 1.272 410 c CA 0.289 56.607 56.329 -0.018 0.000 1.650 410 c CB 0.712 43.213 42.510 -0.016 0.000 2.257 410 c HN 1.111 nan 8.230 nan 0.000 0.505 411 G N 3.132 111.917 108.800 -0.026 0.000 2.535 411 G HA2 0.517 -10.615 3.960 -25.154 0.000 0.282 411 G HA3 0.517 -10.615 3.960 -25.154 0.000 0.282 411 G C -2.655 172.228 174.900 -0.028 0.000 1.350 411 G CA -0.574 44.510 45.100 -0.027 0.000 1.039 411 G HN 0.537 nan 8.290 nan 0.000 0.509 412 P HA 0.306 nan 4.420 nan 0.000 0.268 412 P C -0.042 177.237 177.300 -0.035 0.000 1.208 412 P CA 0.026 63.107 63.100 -0.031 0.000 0.777 412 P CB 0.545 32.224 31.700 -0.035 0.000 0.875 413 A N 2.624 125.425 122.820 -0.032 0.000 2.386 413 A HA 0.237 -10.535 4.320 -25.154 0.000 0.248 413 A C 0.037 177.599 177.584 -0.037 0.000 1.082 413 A CA -0.440 51.578 52.037 -0.032 0.000 0.789 413 A CB -0.064 18.922 19.000 -0.024 0.000 1.025 413 A HN 0.399 nan 8.150 nan 0.000 0.490 414 V N 1.820 121.710 119.914 -0.039 0.000 2.599 414 V HA 0.105 -10.867 4.120 -25.154 0.000 0.300 414 V C 1.261 177.347 176.094 -0.013 0.000 1.034 414 V CA 0.622 62.902 62.300 -0.034 0.000 1.115 414 V CB 0.854 32.651 31.823 -0.043 0.000 0.934 414 V HN 0.964 nan 8.190 nan 0.000 0.485 415 T N 3.340 117.890 114.554 -0.007 0.000 2.869 415 T HA 0.256 -10.486 4.350 -25.154 0.000 0.295 415 T C 0.965 175.738 174.700 0.121 0.000 0.987 415 T CA 0.157 62.268 62.100 0.018 0.000 1.109 415 T CB 0.770 69.608 68.868 -0.050 0.000 0.932 415 T HN 1.030 nan 8.240 nan 0.000 0.518 416 T N 1.525 116.127 114.554 0.080 0.000 3.044 416 T HA 0.255 -10.487 4.350 -25.154 0.000 0.260 416 T C 0.412 175.126 174.700 0.024 0.000 1.019 416 T CA -0.283 61.849 62.100 0.053 0.000 0.921 416 T CB 0.047 68.936 68.868 0.036 0.000 1.053 416 T HN 0.363 nan 8.240 nan 0.000 0.533 417 V N 2.410 122.356 119.914 0.054 0.000 2.439 417 V HA 0.538 -10.434 4.120 -25.154 0.000 0.271 417 V C 1.593 177.709 176.094 0.036 0.000 1.040 417 V CA 0.835 63.141 62.300 0.011 0.000 1.002 417 V CB -0.191 31.630 31.823 -0.003 0.000 1.000 417 V HN 0.824 nan 8.190 nan 0.000 0.477 418 G N 4.451 113.210 108.800 -0.069 0.000 2.157 418 G HA2 -0.217 -11.350 3.960 -25.154 0.000 0.248 418 G HA3 -0.217 -11.350 3.960 -25.154 0.000 0.248 418 G C -0.129 174.615 174.900 -0.259 0.000 0.979 418 G CA 0.107 45.127 45.100 -0.132 0.000 0.650 418 G HN 0.780 nan 8.290 nan 0.000 0.529 419 L N 1.487 122.470 121.223 -0.400 0.000 2.369 419 L HA 0.650 -10.102 4.340 -25.154 0.000 0.279 419 L C 1.225 177.626 176.870 -0.782 0.000 1.108 419 L CA 0.311 54.636 54.840 -0.859 0.000 0.852 419 L CB 1.429 43.011 42.059 -0.794 0.000 1.169 419 L HN 0.022 nan 8.230 nan 0.000 0.452 420 V N 4.364 123.869 119.914 -0.682 0.000 3.212 420 V HA 0.480 -10.492 4.120 -25.154 0.000 0.244 420 V C 0.978 176.879 176.094 -0.321 0.000 1.151 420 V CA 0.751 62.740 62.300 -0.517 0.000 1.119 420 V CB 0.286 31.870 31.823 -0.399 0.000 0.838 420 V HN 0.882 nan 8.190 nan 0.000 0.470 421 G N -1.167 107.516 108.800 -0.194 0.000 2.690 421 G HA2 0.625 -10.507 3.960 -25.154 0.000 0.293 421 G HA3 0.625 -10.507 3.960 -25.154 0.000 0.293 421 G C -1.943 173.250 174.900 0.487 0.000 1.399 421 G CA -0.415 44.876 45.100 0.318 0.000 0.890 421 G HN -0.011 nan 8.290 nan 0.000 0.485 422 F N 1.651 121.793 119.950 0.320 0.000 2.787 422 F HA 0.488 -10.079 4.527 -25.157 0.000 0.340 422 F C -1.321 174.341 175.800 -0.230 0.000 1.232 422 F CA -1.093 56.925 58.000 0.030 0.000 1.051 422 F CB 1.260 40.299 39.000 0.065 0.000 1.330 422 F HN 0.279 nan 8.300 nan 0.000 0.522 423 L N 6.113 127.023 121.223 -0.521 0.000 2.272 423 L HA 0.527 -10.225 4.340 -25.154 0.000 0.289 423 L C 0.022 176.418 176.870 -0.790 0.000 1.032 423 L CA -0.107 54.087 54.840 -1.075 0.000 0.810 423 L CB 1.538 42.330 42.059 -2.110 0.000 1.205 423 L HN 0.669 nan 8.230 nan 0.000 0.422 424 S N 0.209 115.607 115.700 -0.502 0.000 4.297 424 S HA 0.155 -10.467 4.470 -25.154 0.000 0.226 424 S C 1.086 175.753 174.600 0.112 0.000 1.134 424 S CA -0.297 57.746 58.200 -0.262 0.000 1.591 424 S CB 0.233 62.911 63.200 -0.871 0.000 1.393 424 S HN 0.771 nan 8.310 nan 0.000 0.727 425 H N 0.933 119.939 119.070 -0.106 0.000 2.428 425 H HA 0.259 -10.278 4.556 -25.154 0.000 0.296 425 H C 0.080 175.405 175.328 -0.006 0.000 1.062 425 H CA 1.110 57.141 56.048 -0.028 0.000 1.350 425 H CB -0.230 29.510 29.762 -0.037 0.000 1.403 425 H HN 0.298 nan 8.280 nan 0.000 0.533 426 S N 0.428 116.155 115.700 0.045 0.000 2.505 426 S HA 0.473 -10.149 4.470 -25.154 0.000 0.276 426 S C -0.299 174.330 174.600 0.049 0.000 1.274 426 S CA -0.075 58.140 58.200 0.025 0.000 1.053 426 S CB 1.279 64.515 63.200 0.059 0.000 0.919 426 S HN 0.549 nan 8.310 nan 0.000 0.490 427 A N 2.761 125.562 122.820 -0.032 0.000 2.589 427 A HA 0.761 -10.011 4.320 -25.154 0.000 0.296 427 A C 0.014 177.567 177.584 -0.050 0.000 1.062 427 A CA -0.887 51.130 52.037 -0.033 0.000 0.686 427 A CB 1.105 19.991 19.000 -0.191 0.000 1.282 427 A HN 0.709 nan 8.150 nan 0.000 0.404 428 T N -1.226 113.318 114.554 -0.018 0.000 2.876 428 T HA 0.493 -10.250 4.350 -25.154 0.000 0.277 428 T C 1.045 175.721 174.700 -0.040 0.000 0.997 428 T CA 0.007 62.095 62.100 -0.020 0.000 0.966 428 T CB 0.797 69.673 68.868 0.012 0.000 1.312 428 T HN 0.566 nan 8.240 nan 0.000 0.598 429 K N 0.402 120.784 120.400 -0.029 0.000 2.147 429 K HA -0.036 -10.808 4.320 -25.154 0.000 0.205 429 K C 1.876 178.464 176.600 -0.021 0.000 1.049 429 K CA 2.164 58.429 56.287 -0.036 0.000 0.936 429 K CB -0.839 31.647 32.500 -0.024 0.000 0.722 429 K HN 0.846 nan 8.250 nan 0.000 0.446 430 T N -3.323 111.235 114.554 0.006 0.000 3.043 430 T HA 0.317 -10.425 4.350 -25.154 0.000 0.272 430 T C -0.049 174.687 174.700 0.059 0.000 0.990 430 T CA -0.649 61.469 62.100 0.029 0.000 0.897 430 T CB 0.270 69.158 68.868 0.034 0.000 1.111 430 T HN 0.040 nan 8.240 nan 0.000 0.529 431 E N -0.018 120.219 120.200 0.062 0.000 2.367 431 E HA 0.389 -10.353 4.350 -25.154 0.000 0.273 431 E C -1.991 174.700 176.600 0.151 0.000 0.903 431 E CA -0.913 55.557 56.400 0.115 0.000 0.764 431 E CB 1.869 31.635 29.700 0.111 0.000 1.252 431 E HN 0.204 nan 8.360 nan 0.000 0.446 432 W N 2.986 124.266 121.300 -0.034 0.000 2.318 432 W HA 0.280 -10.150 4.660 -25.151 0.000 0.315 432 W C -0.620 175.839 176.519 -0.101 0.000 1.033 432 W CA -1.029 56.261 57.345 -0.092 0.000 1.275 432 W CB 0.623 30.011 29.460 -0.121 0.000 1.250 432 W HN 0.494 nan 8.180 nan 0.000 0.421 433 E N 3.148 123.472 120.200 0.207 0.000 2.290 433 E HA -0.030 -10.772 4.350 -25.154 0.000 0.277 433 E C -0.366 176.218 176.600 -0.026 0.000 1.035 433 E CA -0.176 56.276 56.400 0.087 0.000 0.873 433 E CB 0.903 30.662 29.700 0.098 0.000 1.029 433 E HN 0.184 nan 8.360 nan 0.000 0.419 434 D N 2.356 122.794 120.400 0.063 0.000 2.401 434 D HA 0.013 -10.439 4.640 -25.154 0.000 0.254 434 D C 0.648 177.010 176.300 0.104 0.000 1.192 434 D CA 0.085 54.166 54.000 0.136 0.000 0.885 434 D CB 1.173 42.199 40.800 0.377 0.000 1.147 434 D HN 0.494 nan 8.370 nan 0.000 0.478 435 A N 3.985 126.767 122.820 -0.064 0.000 2.019 435 A HA -0.198 -10.970 4.320 -25.154 0.000 0.219 435 A C 1.454 179.009 177.584 -0.049 0.000 1.164 435 A CA 1.048 52.929 52.037 -0.260 0.000 0.644 435 A CB -0.668 17.799 19.000 -0.888 0.000 0.805 435 A HN 0.743 nan 8.150 nan 0.000 0.449 436 Y N -1.016 119.465 120.300 0.301 0.000 2.502 436 Y HA 0.153 -10.390 4.550 -25.155 0.000 0.295 436 Y C 1.019 177.282 175.900 0.606 0.000 1.193 436 Y CA 0.517 58.905 58.100 0.480 0.000 1.295 436 Y CB -0.083 38.528 38.460 0.252 0.000 1.059 436 Y HN 0.363 nan 8.280 nan 0.000 0.514 437 R N -2.992 117.821 120.500 0.522 0.000 3.953 437 R HA -0.282 -11.035 4.340 -25.154 0.000 0.340 437 R C 0.771 177.441 176.300 0.616 0.000 1.195 437 R CA 0.864 57.252 56.100 0.480 0.000 0.929 437 R CB -2.716 27.795 30.300 0.351 0.000 1.402 437 R HN 0.437 nan 8.270 nan 0.000 0.540 438 C N -1.098 118.567 119.300 0.609 0.000 2.520 438 C HA 0.230 -10.402 4.460 -25.154 0.000 0.291 438 C C 0.975 176.166 174.990 0.336 0.000 1.364 438 C CA 0.258 59.600 59.018 0.540 0.000 1.781 438 C CB 0.604 28.671 27.740 0.546 0.000 2.171 438 C HN 0.246 nan 8.230 nan 0.000 0.516 439 V N 3.160 123.290 119.914 0.359 0.000 2.462 439 V HA 0.337 -10.635 4.120 -25.154 0.000 0.288 439 V C -1.172 175.206 176.094 0.473 0.000 1.020 439 V CA -0.485 61.986 62.300 0.285 0.000 0.857 439 V CB 1.017 32.825 31.823 -0.024 0.000 1.013 439 V HN 0.382 nan 8.190 nan 0.000 0.431 440 N N 2.509 121.399 118.700 0.317 0.000 2.424 440 N HA 0.655 -9.697 4.740 -25.154 0.000 0.257 440 N C 0.119 175.795 175.510 0.276 0.000 1.250 440 N CA -0.140 53.061 53.050 0.252 0.000 0.946 440 N CB 1.530 40.124 38.487 0.179 0.000 1.175 440 N HN 0.808 nan 8.380 nan 0.000 0.477 441 A N 0.010 122.895 122.820 0.108 0.000 2.312 441 A HA 0.522 -10.250 4.320 -25.154 0.000 0.326 441 A C 0.110 177.811 177.584 0.195 0.000 1.172 441 A CA -0.691 51.440 52.037 0.156 0.000 0.821 441 A CB 0.249 19.238 19.000 -0.020 0.000 1.166 441 A HN 0.643 nan 8.150 nan 0.000 0.493 442 S N 1.130 116.943 115.700 0.187 0.000 2.584 442 S HA 0.642 -9.981 4.470 -25.154 0.000 0.273 442 S C 0.242 174.946 174.600 0.173 0.000 1.311 442 S CA 0.184 58.475 58.200 0.151 0.000 1.034 442 S CB 0.918 64.182 63.200 0.107 0.000 0.939 442 S HN 1.419 nan 8.310 nan 0.000 0.513 443 T N -1.910 112.734 114.554 0.150 0.000 2.916 443 T HA 0.844 -9.898 4.350 -25.154 0.000 0.292 443 T C -0.681 174.096 174.700 0.129 0.000 1.055 443 T CA -0.792 61.416 62.100 0.180 0.000 1.009 443 T CB 1.560 70.528 68.868 0.167 0.000 1.118 443 T HN 1.370 nan 8.240 nan 0.000 0.497 444 A N 1.619 124.537 122.820 0.162 0.000 2.486 444 A HA 0.736 -10.036 4.320 -25.154 0.000 0.300 444 A C -0.169 177.508 177.584 0.155 0.000 1.048 444 A CA -1.009 51.098 52.037 0.116 0.000 0.696 444 A CB 0.683 19.737 19.000 0.090 0.000 1.278 444 A HN 1.027 nan 8.150 nan 0.000 0.405 445 N N -1.230 117.521 118.700 0.085 0.000 2.727 445 N HA -0.167 -10.520 4.740 -25.154 0.000 0.249 445 N C -0.131 175.398 175.510 0.032 0.000 1.048 445 N CA 1.351 54.442 53.050 0.068 0.000 0.714 445 N CB -1.443 37.100 38.487 0.094 0.000 0.959 445 N HN 1.477 nan 8.380 nan 0.000 0.544 446 A N -0.224 122.553 122.820 -0.072 0.000 2.337 446 A HA 0.672 -10.101 4.320 -25.154 0.000 0.329 446 A C 0.024 177.419 177.584 -0.315 0.000 1.146 446 A CA -0.612 51.227 52.037 -0.330 0.000 0.800 446 A CB 1.743 20.473 19.000 -0.450 0.000 1.220 446 A HN 0.229 nan 8.150 nan 0.000 0.472 447 E N 1.812 121.777 120.200 -0.392 0.000 2.222 447 E HA 0.380 -10.363 4.350 -25.154 0.000 0.267 447 E C -0.673 175.708 176.600 -0.366 0.000 0.884 447 E CA -0.733 55.489 56.400 -0.297 0.000 0.764 447 E CB 1.061 30.631 29.700 -0.217 0.000 1.169 447 E HN 0.673 nan 8.360 nan 0.000 0.413 448 R N 1.879 122.194 120.500 -0.309 0.000 2.489 448 R HA 0.219 -10.533 4.340 -25.154 0.000 0.287 448 R C 0.122 176.264 176.300 -0.263 0.000 1.053 448 R CA -0.117 55.784 56.100 -0.333 0.000 1.036 448 R CB 0.697 30.819 30.300 -0.297 0.000 0.966 448 R HN 0.386 nan 8.270 nan 0.000 0.432 449 V N 0.469 120.229 119.914 -0.256 0.000 3.158 449 V HA 0.564 -10.408 4.120 -25.154 0.000 0.311 449 V C -2.643 173.408 176.094 -0.072 0.000 1.181 449 V CA -3.209 59.009 62.300 -0.138 0.000 1.054 449 V CB 1.939 33.698 31.823 -0.108 0.000 1.085 449 V HN 0.519 nan 8.190 nan 0.000 0.446 450 P HA 0.244 nan 4.420 nan 0.000 0.263 450 P C -0.060 177.367 177.300 0.212 0.000 1.195 450 P CA 0.737 63.967 63.100 0.217 0.000 0.762 450 P CB -0.089 31.690 31.700 0.132 0.000 0.799 451 N N 1.276 120.217 118.700 0.400 0.000 2.753 451 N HA -0.169 -10.521 4.740 -25.154 0.000 0.251 451 N C 0.539 176.161 175.510 0.186 0.000 1.097 451 N CA 1.786 54.978 53.050 0.236 0.000 0.786 451 N CB -1.384 37.210 38.487 0.178 0.000 1.137 451 N HN 0.702 nan 8.380 nan 0.000 0.566 452 G N -1.469 107.370 108.800 0.064 0.000 2.393 452 G HA2 0.553 -10.579 3.960 -25.154 0.000 0.264 452 G HA3 0.553 -10.579 3.960 -25.154 0.000 0.264 452 G C -1.822 172.809 174.900 -0.448 0.000 1.221 452 G CA -0.670 44.428 45.100 -0.002 0.000 0.912 452 G HN 0.091 nan 8.290 nan 0.000 0.483 453 L N 0.163 120.990 121.223 -0.660 0.000 2.409 453 L HA 0.637 -10.115 4.340 -25.154 0.000 0.262 453 L C -0.514 175.885 176.870 -0.786 0.000 0.992 453 L CA -0.869 53.409 54.840 -0.936 0.000 0.817 453 L CB 2.671 43.788 42.059 -1.571 0.000 1.350 453 L HN 0.582 nan 8.230 nan 0.000 0.411 454 K N 2.023 122.009 120.400 -0.690 0.000 2.265 454 K HA 0.618 -10.154 4.320 -25.154 0.000 0.267 454 K C -1.558 174.732 176.600 -0.516 0.000 0.994 454 K CA -0.340 55.704 56.287 -0.405 0.000 0.860 454 K CB 0.959 33.342 32.500 -0.195 0.000 1.099 454 K HN 0.275 nan 8.250 nan 0.000 0.448 455 F N 2.111 122.052 119.950 -0.015 0.000 2.507 455 F HA 0.732 -9.834 4.527 -25.155 0.000 0.327 455 F C 0.198 176.013 175.800 0.026 0.000 1.068 455 F CA -0.691 57.302 58.000 -0.011 0.000 0.965 455 F CB 2.268 41.270 39.000 0.003 0.000 1.192 455 F HN 0.567 nan 8.300 nan 0.000 0.476 456 A N 1.160 124.106 122.820 0.210 0.000 2.604 456 A HA 0.806 -9.966 4.320 -25.154 0.000 0.295 456 A C -0.420 177.229 177.584 0.109 0.000 1.067 456 A CA -0.255 51.865 52.037 0.137 0.000 0.683 456 A CB 1.270 20.317 19.000 0.078 0.000 1.281 456 A HN 1.791 nan 8.150 nan 0.000 0.407 457 G N -0.749 108.104 108.800 0.088 0.000 2.690 457 G HA2 0.319 -10.813 3.960 -25.154 0.000 0.686 457 G HA3 0.319 -10.813 3.960 -25.154 0.000 0.686 457 G C -0.410 174.528 174.900 0.062 0.000 1.277 457 G CA -0.515 44.624 45.100 0.066 0.000 0.799 457 G HN 1.824 nan 8.290 nan 0.000 0.613 458 V N 1.847 121.791 119.914 0.049 0.000 2.694 458 V HA 0.399 -10.573 4.120 -25.154 0.000 0.306 458 V C 2.044 178.169 176.094 0.051 0.000 1.054 458 V CA 2.173 64.502 62.300 0.048 0.000 1.161 458 V CB 0.564 32.409 31.823 0.037 0.000 0.916 458 V HN 2.851 nan 8.190 nan 0.000 0.490 459 G N 3.425 112.261 108.800 0.059 0.000 2.199 459 G HA2 -0.161 -11.293 3.960 -25.154 0.000 0.254 459 G HA3 -0.161 -11.293 3.960 -25.154 0.000 0.254 459 G C 0.566 175.507 174.900 0.068 0.000 0.982 459 G CA -0.032 45.104 45.100 0.059 0.000 0.632 459 G HN 1.394 nan 8.290 nan 0.000 0.529 460 G N -0.391 108.453 108.800 0.074 0.000 2.539 460 G HA2 0.781 -10.352 3.960 -25.154 0.000 0.258 460 G HA3 0.781 -10.352 3.960 -25.154 0.000 0.258 460 G C 0.623 175.533 174.900 0.016 0.000 1.202 460 G CA 1.018 46.184 45.100 0.109 0.000 0.851 460 G HN 1.876 nan 8.290 nan 0.000 0.556 461 G N -1.312 107.477 108.800 -0.019 0.000 2.359 461 G HA2 0.560 -10.572 3.960 -25.154 0.000 0.303 461 G HA3 0.560 -10.572 3.960 -25.154 0.000 0.303 461 G C -0.790 173.985 174.900 -0.208 0.000 1.293 461 G CA -0.012 44.783 45.100 -0.509 0.000 0.964 461 G HN 1.926 nan 8.290 nan 0.000 0.531 462 A N -0.929 121.775 122.820 -0.193 0.000 2.413 462 A HA 0.924 -9.848 4.320 -25.154 0.000 0.307 462 A C -0.919 176.788 177.584 0.204 0.000 1.087 462 A CA -0.383 51.752 52.037 0.163 0.000 0.750 462 A CB 1.935 21.202 19.000 0.444 0.000 1.296 462 A HN 2.017 nan 8.150 nan 0.000 0.423 463 L N 1.290 122.652 121.223 0.230 0.000 2.376 463 L HA 0.635 -10.117 4.340 -25.154 0.000 0.275 463 L C -1.867 175.220 176.870 0.362 0.000 0.987 463 L CA -0.432 54.566 54.840 0.264 0.000 0.828 463 L CB 1.267 43.367 42.059 0.068 0.000 1.249 463 L HN 0.800 nan 8.230 nan 0.000 0.409 464 W N 8.969 130.423 121.300 0.257 0.000 2.282 464 W HA 0.480 -9.947 4.660 -25.146 0.000 0.322 464 W C -2.388 174.284 176.519 0.256 0.000 1.011 464 W CA -2.835 54.671 57.345 0.267 0.000 1.392 464 W CB 0.956 30.614 29.460 0.331 0.000 1.215 464 W HN 0.295 nan 8.180 nan 0.000 0.394 465 P HA 0.069 nan 4.420 nan 0.000 0.275 465 P C 0.035 177.316 177.300 -0.030 0.000 1.227 465 P CA 0.288 63.463 63.100 0.124 0.000 0.781 465 P CB 2.397 34.135 31.700 0.064 0.000 0.906 466 V N 2.564 122.417 119.914 -0.102 0.000 3.945 466 V HA -0.043 -11.015 4.120 -25.154 0.000 0.196 466 V C 2.517 178.510 176.094 -0.169 0.000 1.110 466 V CA 1.449 63.619 62.300 -0.217 0.000 1.411 466 V CB -1.244 30.316 31.823 -0.439 0.000 1.707 466 V HN 0.620 nan 8.190 nan 0.000 0.477 467 S N -0.196 115.412 115.700 -0.153 0.000 2.442 467 S HA -0.206 -10.828 4.470 -25.154 0.000 0.236 467 S C 1.664 176.228 174.600 -0.061 0.000 1.007 467 S CA 1.138 59.280 58.200 -0.096 0.000 0.965 467 S CB -0.452 62.698 63.200 -0.083 0.000 0.773 467 S HN 0.547 nan 8.310 nan 0.000 0.504 468 Q N 1.129 120.904 119.800 -0.042 0.000 2.508 468 Q HA -0.018 -10.771 4.340 -25.154 0.000 0.214 468 Q C 1.977 177.961 176.000 -0.026 0.000 0.979 468 Q CA 0.804 56.594 55.803 -0.022 0.000 0.911 468 Q CB -0.462 28.274 28.738 -0.004 0.000 0.969 468 Q HN 0.774 nan 8.270 nan 0.000 0.504 469 Q N -0.493 119.275 119.800 -0.053 0.000 2.291 469 Q HA -0.071 -10.823 4.340 -25.154 0.000 0.206 469 Q C 1.047 177.038 176.000 -0.015 0.000 0.976 469 Q CA 0.800 56.574 55.803 -0.048 0.000 0.875 469 Q CB 0.082 28.751 28.738 -0.115 0.000 0.927 469 Q HN 0.492 nan 8.270 nan 0.000 0.450 470 G N 0.632 109.417 108.800 -0.025 0.000 2.754 470 G HA2 -0.436 -11.569 3.960 -25.154 0.000 0.241 470 G HA3 -0.436 -11.569 3.960 -25.154 0.000 0.241 470 G C 0.440 175.336 174.900 -0.006 0.000 1.281 470 G CA 0.282 45.376 45.100 -0.010 0.000 0.971 470 G HN 0.339 nan 8.290 nan 0.000 0.569 471 Q N 0.820 120.639 119.800 0.032 0.000 2.084 471 Q HA 0.010 -10.742 4.340 -25.154 0.000 0.202 471 Q C 0.772 176.778 176.000 0.010 0.000 0.978 471 Q CA 1.739 57.570 55.803 0.046 0.000 0.844 471 Q CB -0.169 28.646 28.738 0.129 0.000 0.898 471 Q HN 0.629 nan 8.270 nan 0.000 0.426 472 N N 0.920 119.634 118.700 0.025 0.000 2.446 472 N HA 0.214 -10.138 4.740 -25.154 0.000 0.265 472 N C -1.669 173.735 175.510 -0.176 0.000 0.975 472 N CA -0.232 52.754 53.050 -0.106 0.000 0.928 472 N CB 1.609 40.097 38.487 0.002 0.000 1.160 472 N HN 0.081 nan 8.380 nan 0.000 0.495 473 Q N 1.768 121.395 119.800 -0.288 0.000 2.508 473 Q HA 0.254 -10.498 4.340 -25.154 0.000 0.247 473 Q C 0.361 176.188 176.000 -0.288 0.000 1.047 473 Q CA -0.321 55.344 55.803 -0.230 0.000 0.783 473 Q CB 1.160 29.817 28.738 -0.136 0.000 1.172 473 Q HN 0.475 nan 8.270 nan 0.000 0.515 474 R N 0.555 120.879 120.500 -0.294 0.000 2.235 474 R HA -0.047 -10.799 4.340 -25.154 0.000 0.213 474 R C 0.603 176.921 176.300 0.030 0.000 1.059 474 R CA 1.046 57.018 56.100 -0.213 0.000 0.997 474 R CB 0.330 30.531 30.300 -0.164 0.000 0.884 474 R HN 0.585 nan 8.270 nan 0.000 0.462 475 Y N -0.724 119.391 120.300 -0.309 0.000 2.625 475 Y HA 0.071 -10.467 4.550 -25.148 0.000 0.285 475 Y C 1.848 177.257 175.900 -0.817 0.000 1.168 475 Y CA -0.647 57.027 58.100 -0.710 0.000 1.250 475 Y CB 0.159 38.230 38.460 -0.649 0.000 1.130 475 Y HN 0.207 nan 8.280 nan 0.000 0.526 476 H N 1.246 120.109 119.070 -0.345 0.000 2.457 476 H HA -0.223 -10.755 4.556 -25.145 0.000 0.297 476 H C 1.798 177.025 175.328 -0.169 0.000 1.092 476 H CA 2.032 57.928 56.048 -0.253 0.000 1.309 476 H CB -0.155 29.498 29.762 -0.182 0.000 1.382 476 H HN 0.624 nan 8.280 nan 0.000 0.535 477 F N -0.011 119.987 119.950 0.079 0.000 2.236 477 F HA -0.093 -10.667 4.527 -25.167 0.000 0.302 477 F C 2.500 178.358 175.800 0.097 0.000 1.073 477 F CA 0.862 58.919 58.000 0.096 0.000 1.336 477 F CB -0.740 38.272 39.000 0.019 0.000 1.040 477 F HN 0.092 nan 8.300 nan 0.000 0.507 478 A N 1.133 123.657 122.820 -0.494 0.000 2.067 478 A HA -0.149 -10.922 4.320 -25.154 0.000 0.219 478 A C 1.927 179.531 177.584 0.033 0.000 1.158 478 A CA 1.375 53.355 52.037 -0.095 0.000 0.661 478 A CB -0.861 17.874 19.000 -0.441 0.000 0.801 478 A HN 0.527 nan 8.150 nan 0.000 0.452 479 N N -0.457 118.108 118.700 -0.224 0.000 2.520 479 N HA -0.106 -10.458 4.740 -25.154 0.000 0.185 479 N C 1.083 176.336 175.510 -0.428 0.000 1.068 479 N CA 1.120 53.957 53.050 -0.354 0.000 0.911 479 N CB -0.257 37.869 38.487 -0.601 0.000 0.961 479 N HN 0.693 nan 8.380 nan 0.000 0.446 480 H N -0.719 118.374 119.070 0.037 0.000 2.430 480 H HA 0.468 -10.070 4.556 -25.157 0.000 0.297 480 H C 0.436 175.814 175.328 0.084 0.000 1.016 480 H CA 0.492 56.577 56.048 0.061 0.000 1.294 480 H CB 0.938 30.741 29.762 0.068 0.000 1.465 480 H HN 0.065 nan 8.280 nan 0.000 0.547 481 A N 0.652 123.641 122.820 0.281 0.000 2.594 481 A HA 0.510 -10.262 4.320 -25.154 0.000 0.296 481 A C -1.743 176.050 177.584 0.350 0.000 1.061 481 A CA -0.585 51.555 52.037 0.173 0.000 0.689 481 A CB 1.270 20.326 19.000 0.093 0.000 1.280 481 A HN 0.240 nan 8.150 nan 0.000 0.406 482 F N -1.382 118.649 119.950 0.136 0.000 2.741 482 F HA 0.850 -9.715 4.527 -25.153 0.000 0.311 482 F C -0.872 174.962 175.800 0.056 0.000 1.149 482 F CA -0.617 57.474 58.000 0.151 0.000 0.930 482 F CB 1.240 40.372 39.000 0.221 0.000 1.312 482 F HN 0.468 nan 8.300 nan 0.000 0.450 483 T N 2.994 117.696 114.554 0.246 0.000 2.881 483 T HA 0.638 -10.105 4.350 -25.154 0.000 0.290 483 T C -1.823 173.036 174.700 0.266 0.000 1.000 483 T CA -0.398 61.776 62.100 0.125 0.000 0.978 483 T CB 1.616 70.465 68.868 -0.032 0.000 0.997 483 T HN 0.795 nan 8.240 nan 0.000 0.443 484 L N 4.594 125.948 121.223 0.217 0.000 2.333 484 L HA 0.816 -9.936 4.340 -25.154 0.000 0.280 484 L C -1.202 175.670 176.870 0.005 0.000 1.004 484 L CA -0.498 54.359 54.840 0.028 0.000 0.820 484 L CB 1.446 43.437 42.059 -0.113 0.000 1.247 484 L HN 0.479 nan 8.230 nan 0.000 0.416 485 V N 4.018 123.933 119.914 0.002 0.000 2.680 485 V HA 1.010 -9.962 4.120 -25.154 0.000 0.309 485 V C -0.273 175.786 176.094 -0.060 0.000 1.052 485 V CA -0.195 62.072 62.300 -0.055 0.000 0.908 485 V CB 1.365 33.207 31.823 0.031 0.000 1.001 485 V HN 1.009 nan 8.190 nan 0.000 0.431 486 A N 2.577 125.309 122.820 -0.147 0.000 2.605 486 A HA 0.815 -9.958 4.320 -25.154 0.000 0.294 486 A C -0.755 176.798 177.584 -0.051 0.000 1.062 486 A CA -0.542 51.470 52.037 -0.041 0.000 0.682 486 A CB 1.838 20.838 19.000 -0.001 0.000 1.278 486 A HN 0.645 nan 8.150 nan 0.000 0.410 487 S N 0.036 115.793 115.700 0.095 0.000 2.489 487 S HA 0.704 -9.918 4.470 -25.154 0.000 0.291 487 S C -0.064 174.616 174.600 0.134 0.000 1.151 487 S CA -0.169 58.121 58.200 0.151 0.000 1.082 487 S CB 1.215 64.541 63.200 0.211 0.000 1.019 487 S HN 1.823 nan 8.310 nan 0.000 0.492 488 V N 0.554 120.549 119.914 0.134 0.000 3.007 488 V HA 0.919 -10.053 4.120 -25.154 0.000 0.311 488 V C -0.715 175.432 176.094 0.089 0.000 1.120 488 V CA -0.576 61.784 62.300 0.100 0.000 0.980 488 V CB 1.999 33.861 31.823 0.064 0.000 1.033 488 V HN 0.709 nan 8.190 nan 0.000 0.429 489 T N 4.071 118.604 114.554 -0.035 0.000 2.971 489 T HA 0.649 -10.093 4.350 -25.154 0.000 0.304 489 T C -0.641 173.789 174.700 -0.449 0.000 1.038 489 T CA -0.149 61.861 62.100 -0.150 0.000 1.007 489 T CB 1.360 70.142 68.868 -0.144 0.000 1.055 489 T HN 0.720 nan 8.240 nan 0.000 0.451 490 I N 3.230 123.534 120.570 -0.444 0.000 2.331 490 I HA 0.315 -10.607 4.170 -25.154 0.000 0.292 490 I C 0.966 176.853 176.117 -0.384 0.000 0.998 490 I CA -0.695 60.247 61.300 -0.597 0.000 1.267 490 I CB 1.161 38.590 38.000 -0.952 0.000 1.386 490 I HN 0.757 nan 8.210 nan 0.000 0.476 491 H N 4.082 123.133 119.070 -0.032 0.000 2.582 491 H HA 0.325 -10.211 4.556 -25.154 0.000 0.269 491 H C -0.183 175.196 175.328 0.085 0.000 0.962 491 H CA 0.443 56.517 56.048 0.043 0.000 1.230 491 H CB 0.646 30.429 29.762 0.034 0.000 1.445 491 H HN 0.554 nan 8.280 nan 0.000 0.528 492 E N 0.753 121.070 120.200 0.195 0.000 2.292 492 E HA 0.303 -10.439 4.350 -25.154 0.000 0.272 492 E C -0.854 175.885 176.600 0.233 0.000 0.881 492 E CA -0.660 55.857 56.400 0.195 0.000 0.754 492 E CB 3.569 33.367 29.700 0.164 0.000 1.201 492 E HN -0.187 nan 8.360 nan 0.000 0.425 493 V N 4.361 124.410 119.914 0.224 0.000 2.529 493 V HA 0.108 -10.864 4.120 -25.154 0.000 0.292 493 V C -1.672 174.516 176.094 0.158 0.000 1.028 493 V CA -0.805 61.621 62.300 0.210 0.000 1.074 493 V CB -0.025 31.828 31.823 0.051 0.000 0.958 493 V HN 0.578 nan 8.190 nan 0.000 0.481 494 P HA 0.330 nan 4.420 nan 0.000 0.278 494 P C 0.293 177.602 177.300 0.015 0.000 1.266 494 P CA -0.675 62.458 63.100 0.055 0.000 0.807 494 P CB 1.279 32.928 31.700 -0.084 0.000 1.094 495 K N -0.304 120.096 120.400 0.000 0.000 2.155 495 K HA 0.055 -10.717 4.320 -25.154 0.000 0.203 495 K C 1.424 178.014 176.600 -0.016 0.000 1.052 495 K CA 1.538 57.824 56.287 -0.001 0.000 0.948 495 K CB -0.193 32.308 32.500 0.003 0.000 0.728 495 K HN 0.668 nan 8.250 nan 0.000 0.448 496 G N -0.101 108.676 108.800 -0.039 0.000 3.420 496 G HA2 0.533 -10.600 3.960 -25.154 0.000 0.183 496 G HA3 0.533 -10.600 3.960 -25.154 0.000 0.183 496 G C -1.464 173.389 174.900 -0.079 0.000 1.315 496 G CA -0.015 45.059 45.100 -0.042 0.000 0.958 496 G HN 0.186 nan 8.290 nan 0.000 0.745 497 A N -0.241 122.523 122.820 -0.093 0.000 2.330 497 A HA 0.807 -9.965 4.320 -25.154 0.000 0.327 497 A C -0.473 176.971 177.584 -0.234 0.000 1.155 497 A CA -0.248 51.700 52.037 -0.147 0.000 0.803 497 A CB 1.452 20.413 19.000 -0.064 0.000 1.208 497 A HN 0.662 nan 8.150 nan 0.000 0.477 498 S N 2.896 118.304 115.700 -0.487 0.000 2.542 498 S HA 0.750 -9.872 4.470 -25.154 0.000 0.293 498 S C -2.904 171.422 174.600 -0.458 0.000 1.089 498 S CA -1.087 56.801 58.200 -0.519 0.000 0.961 498 S CB 2.079 64.862 63.200 -0.694 0.000 1.062 498 S HN 0.670 nan 8.310 nan 0.000 0.483 499 P HA 0.285 nan 4.420 nan 0.000 0.278 499 P C -0.145 177.187 177.300 0.053 0.000 1.238 499 P CA -0.375 62.593 63.100 -0.220 0.000 0.794 499 P CB 1.188 32.381 31.700 -0.845 0.000 0.955 500 L N 1.444 122.782 121.223 0.192 0.000 2.641 500 L HA 0.350 -10.402 4.340 -25.154 0.000 0.207 500 L C 0.067 176.981 176.870 0.073 0.000 1.049 500 L CA 0.241 55.181 54.840 0.167 0.000 0.866 500 L CB 0.528 42.703 42.059 0.192 0.000 1.264 500 L HN 0.270 nan 8.230 nan 0.000 0.483 501 L N -0.625 120.604 121.223 0.010 0.000 2.545 501 L HA 0.742 -10.010 4.340 -25.154 0.000 0.258 501 L C -0.996 175.570 176.870 -0.506 0.000 0.942 501 L CA 0.123 54.830 54.840 -0.223 0.000 0.855 501 L CB 1.980 43.967 42.059 -0.120 0.000 1.374 501 L HN 0.053 nan 8.230 nan 0.000 0.411 502 G N 2.065 110.275 108.800 -0.984 0.000 2.356 502 G HA2 0.684 -10.448 3.960 -25.154 0.000 0.294 502 G HA3 0.684 -10.448 3.960 -25.154 0.000 0.294 502 G C -2.110 172.497 174.900 -0.489 0.000 1.423 502 G CA -0.153 44.503 45.100 -0.739 0.000 0.806 502 G HN 0.937 nan 8.290 nan 0.000 0.527 503 A N 0.015 122.785 122.820 -0.084 0.000 2.271 503 A HA 0.813 -9.959 4.320 -25.154 0.000 0.317 503 A C 0.196 177.741 177.584 -0.064 0.000 1.245 503 A CA 0.045 52.002 52.037 -0.132 0.000 0.857 503 A CB 1.272 20.196 19.000 -0.127 0.000 1.175 503 A HN 1.592 nan 8.150 nan 0.000 0.512 504 S N 1.922 117.498 115.700 -0.207 0.000 2.525 504 S HA 0.533 -10.089 4.470 -25.154 0.000 0.290 504 S C 0.778 175.224 174.600 -0.257 0.000 1.152 504 S CA -0.658 57.424 58.200 -0.196 0.000 1.072 504 S CB 0.525 63.450 63.200 -0.457 0.000 1.027 504 S HN 0.589 nan 8.310 nan 0.000 0.500 505 L N 2.494 123.629 121.223 -0.146 0.000 2.416 505 L HA 0.242 -10.510 4.340 -25.154 0.000 0.216 505 L C 0.776 177.587 176.870 -0.098 0.000 1.098 505 L CA 0.197 54.961 54.840 -0.127 0.000 0.840 505 L CB -0.090 41.919 42.059 -0.084 0.000 0.981 505 L HN 0.691 nan 8.230 nan 0.000 0.462 506 D N -2.003 118.349 120.400 -0.079 0.000 2.553 506 D HA 0.090 -10.362 4.640 -25.154 0.000 0.249 506 D C 0.845 177.172 176.300 0.045 0.000 1.062 506 D CA 0.108 54.087 54.000 -0.034 0.000 1.085 506 D CB 1.173 41.945 40.800 -0.047 0.000 1.350 506 D HN -0.103 nan 8.370 nan 0.000 0.575 507 S N -0.666 115.063 115.700 0.049 0.000 2.453 507 S HA -0.150 -10.773 4.470 -25.154 0.000 0.231 507 S C 1.825 176.483 174.600 0.097 0.000 1.005 507 S CA 1.247 59.507 58.200 0.100 0.000 0.949 507 S CB -0.695 62.510 63.200 0.008 0.000 0.774 507 S HN 0.580 nan 8.310 nan 0.000 0.510 508 S N 0.913 116.611 115.700 -0.004 0.000 2.414 508 S HA 0.379 -10.243 4.470 -25.154 0.000 0.227 508 S C 1.838 176.302 174.600 -0.227 0.000 1.022 508 S CA 0.824 58.956 58.200 -0.114 0.000 0.958 508 S CB -0.772 62.331 63.200 -0.162 0.000 0.797 508 S HN 1.457 nan 8.310 nan 0.000 0.493 509 G N 0.104 108.801 108.800 -0.171 0.000 2.194 509 G HA2 -0.165 -11.297 3.960 -25.154 0.000 0.236 509 G HA3 -0.165 -11.297 3.960 -25.154 0.000 0.236 509 G C 0.914 175.558 174.900 -0.426 0.000 0.987 509 G CA 0.139 45.030 45.100 -0.348 0.000 0.635 509 G HN 1.036 nan 8.290 nan 0.000 0.520 510 G N -0.144 108.447 108.800 -0.349 0.000 2.511 510 G HA2 0.239 -10.894 3.960 -25.154 0.000 0.217 510 G HA3 0.239 -10.894 3.960 -25.154 0.000 0.217 510 G C 0.716 175.537 174.900 -0.131 0.000 1.133 510 G CA 1.105 46.050 45.100 -0.258 0.000 0.792 510 G HN 0.569 nan 8.290 nan 0.000 0.539 511 K N 1.116 121.453 120.400 -0.106 0.000 2.347 511 K HA 0.363 -10.409 4.320 -25.154 0.000 0.262 511 K C -0.524 176.052 176.600 -0.041 0.000 1.052 511 K CA -0.425 55.826 56.287 -0.060 0.000 0.946 511 K CB 0.381 32.846 32.500 -0.057 0.000 1.220 511 K HN 0.000 nan 8.250 nan 0.000 0.450 512 K N 3.340 123.738 120.400 -0.003 0.000 2.118 512 K HA 0.183 -10.589 4.320 -25.154 0.000 0.254 512 K C 0.614 177.233 176.600 0.032 0.000 0.961 512 K CA -0.682 55.630 56.287 0.042 0.000 0.876 512 K CB 1.585 34.149 32.500 0.107 0.000 1.077 512 K HN 0.330 nan 8.250 nan 0.000 0.440 513 L N 2.306 123.550 121.223 0.036 0.000 2.130 513 L HA 0.268 -10.485 4.340 -25.154 0.000 0.200 513 L C -0.424 176.502 176.870 0.093 0.000 1.075 513 L CA 1.319 56.191 54.840 0.052 0.000 0.768 513 L CB 0.259 42.344 42.059 0.045 0.000 0.933 513 L HN 0.551 nan 8.230 nan 0.000 0.451 514 L N -0.267 121.024 121.223 0.113 0.000 2.588 514 L HA 0.751 -10.001 4.340 -25.154 0.000 0.263 514 L C -0.726 176.184 176.870 0.068 0.000 0.935 514 L CA 0.417 55.308 54.840 0.086 0.000 0.891 514 L CB 1.391 43.551 42.059 0.168 0.000 1.318 514 L HN 0.147 nan 8.230 nan 0.000 0.409 515 G N 3.013 111.805 108.800 -0.013 0.000 2.682 515 G HA2 0.636 -10.496 3.960 -25.154 0.000 0.290 515 G HA3 0.636 -10.496 3.960 -25.154 0.000 0.290 515 G C -2.574 172.305 174.900 -0.035 0.000 1.425 515 G CA -0.692 44.425 45.100 0.029 0.000 0.807 515 G HN 0.739 nan 8.290 nan 0.000 0.482 516 L N 0.402 121.634 121.223 0.015 0.000 2.381 516 L HA 0.845 -9.907 4.340 -25.154 0.000 0.274 516 L C -0.195 176.759 176.870 0.141 0.000 0.988 516 L CA -0.317 54.538 54.840 0.025 0.000 0.824 516 L CB 1.871 43.895 42.059 -0.059 0.000 1.263 516 L HN 0.541 nan 8.230 nan 0.000 0.410 517 S N 2.667 118.471 115.700 0.172 0.000 2.715 517 S HA 0.818 -9.804 4.470 -25.154 0.000 0.307 517 S C -1.538 173.240 174.600 0.296 0.000 1.119 517 S CA -0.332 57.969 58.200 0.168 0.000 0.937 517 S CB 1.669 64.892 63.200 0.039 0.000 1.150 517 S HN 0.576 nan 8.310 nan 0.000 0.521 518 Y N -0.340 119.998 120.300 0.065 0.000 2.553 518 Y HA 0.807 -9.736 4.550 -25.154 0.000 0.347 518 Y C -1.031 174.922 175.900 0.089 0.000 1.019 518 Y CA -1.224 56.891 58.100 0.025 0.000 1.032 518 Y CB 0.898 39.098 38.460 -0.432 0.000 1.284 518 Y HN 0.667 nan 8.280 nan 0.000 0.466 519 D N 0.180 120.723 120.400 0.238 0.000 2.585 519 D HA 0.234 -10.219 4.640 -25.154 0.000 0.254 519 D C 0.267 176.624 176.300 0.096 0.000 1.067 519 D CA -1.050 52.997 54.000 0.078 0.000 1.090 519 D CB 1.370 42.195 40.800 0.042 0.000 1.408 519 D HN 0.718 nan 8.370 nan 0.000 0.554 520 K N -0.601 119.799 120.400 0.001 0.000 2.442 520 K HA -0.014 -10.786 4.320 -25.154 0.000 0.198 520 K C 0.818 177.367 176.600 -0.085 0.000 1.042 520 K CA 0.611 56.874 56.287 -0.040 0.000 0.958 520 K CB -0.038 32.452 32.500 -0.018 0.000 0.766 520 K HN 0.231 nan 8.250 nan 0.000 0.474 521 R N 0.348 120.809 120.500 -0.065 0.000 2.515 521 R HA 0.106 -10.646 4.340 -25.154 0.000 0.294 521 R C -0.690 175.538 176.300 -0.119 0.000 1.021 521 R CA -0.142 55.931 56.100 -0.044 0.000 1.081 521 R CB -0.227 30.058 30.300 -0.026 0.000 1.263 521 R HN 0.379 nan 8.270 nan 0.000 0.557 522 H N -0.707 118.098 119.070 -0.441 0.000 2.862 522 H HA -0.191 -10.728 4.556 -25.154 0.000 0.290 522 H C -0.496 174.217 175.328 -1.024 0.000 1.211 522 H CA 0.848 56.176 56.048 -1.199 0.000 1.140 522 H CB -1.302 27.804 29.762 -1.093 0.000 1.341 522 H HN 0.349 nan 8.280 nan 0.000 0.392 523 Q N -0.844 118.809 119.800 -0.246 0.000 2.351 523 Q HA 0.344 -10.409 4.340 -25.154 0.000 0.273 523 Q C -0.202 175.898 176.000 0.167 0.000 1.077 523 Q CA -0.991 54.761 55.803 -0.085 0.000 0.843 523 Q CB 1.608 30.355 28.738 0.015 0.000 1.367 523 Q HN 0.302 nan 8.270 nan 0.000 0.449 524 W N 1.057 122.548 121.300 0.317 0.000 2.202 524 W HA 0.207 -10.224 4.660 -25.153 0.000 0.332 524 W C 0.229 176.823 176.519 0.124 0.000 1.263 524 W CA -0.257 57.211 57.345 0.205 0.000 1.223 524 W CB 0.716 30.239 29.460 0.104 0.000 1.128 524 W HN 0.280 nan 8.180 nan 0.000 0.573 525 Q N 3.694 123.712 119.800 0.363 0.000 2.674 525 Q HA 0.214 -10.539 4.340 -25.154 0.000 0.249 525 Q C -2.311 173.751 176.000 0.102 0.000 1.011 525 Q CA -1.920 53.995 55.803 0.187 0.000 0.734 525 Q CB 1.469 30.281 28.738 0.123 0.000 1.201 525 Q HN 0.004 nan 8.270 nan 0.000 0.498 526 P HA 0.232 nan 4.420 nan 0.000 0.279 526 P C -0.510 176.567 177.300 -0.372 0.000 1.239 526 P CA -0.067 62.909 63.100 -0.207 0.000 0.789 526 P CB 1.151 32.709 31.700 -0.238 0.000 0.933 527 I N 3.490 123.774 120.570 -0.476 0.000 2.418 527 I HA 0.284 -10.639 4.170 -25.154 0.000 0.287 527 I C -0.516 175.335 176.117 -0.443 0.000 1.008 527 I CA -0.770 60.346 61.300 -0.307 0.000 1.104 527 I CB 1.211 39.166 38.000 -0.074 0.000 1.264 527 I HN 0.259 nan 8.210 nan 0.000 0.438 528 Y N 5.177 125.503 120.300 0.042 0.000 2.478 528 Y HA 0.560 -9.983 4.550 -25.154 0.000 0.329 528 Y C 1.138 177.053 175.900 0.025 0.000 0.967 528 Y CA -0.253 57.865 58.100 0.028 0.000 1.255 528 Y CB 1.189 39.656 38.460 0.010 0.000 1.103 528 Y HN 0.872 nan 8.280 nan 0.000 0.497 529 G N 1.434 110.309 108.800 0.125 0.000 2.596 529 G HA2 -0.335 -11.468 3.960 -25.154 0.000 0.295 529 G HA3 -0.335 -11.468 3.960 -25.154 0.000 0.295 529 G C 0.905 175.842 174.900 0.061 0.000 1.240 529 G CA 0.446 45.594 45.100 0.080 0.000 0.985 529 G HN 0.494 nan 8.290 nan 0.000 0.555 530 S N 0.940 116.669 115.700 0.049 0.000 2.597 530 S HA 0.359 -10.263 4.470 -25.154 0.000 0.224 530 S C 0.948 175.575 174.600 0.046 0.000 0.955 530 S CA 0.845 59.066 58.200 0.035 0.000 0.933 530 S CB 0.107 63.317 63.200 0.016 0.000 0.788 530 S HN 0.788 nan 8.310 nan 0.000 0.488 531 T N 4.712 119.310 114.554 0.073 0.000 2.940 531 T HA 0.150 -10.593 4.350 -25.154 0.000 0.309 531 T C -2.375 172.374 174.700 0.082 0.000 1.056 531 T CA -0.612 61.536 62.100 0.080 0.000 1.137 531 T CB 0.224 69.163 68.868 0.119 0.000 0.976 531 T HN 0.064 nan 8.240 nan 0.000 0.547 532 P HA 0.093 nan 4.420 nan 0.000 0.262 532 P C -0.721 176.630 177.300 0.085 0.000 1.182 532 P CA -0.150 62.985 63.100 0.059 0.000 0.761 532 P CB 0.259 31.985 31.700 0.043 0.000 0.795 533 V N 4.464 124.423 119.914 0.076 0.000 2.488 533 V HA 0.140 -10.832 4.120 -25.154 0.000 0.277 533 V C 0.646 176.793 176.094 0.087 0.000 1.046 533 V CA 0.430 62.783 62.300 0.088 0.000 0.986 533 V CB 0.819 32.679 31.823 0.062 0.000 0.989 533 V HN 0.521 nan 8.190 nan 0.000 0.475 534 T N 7.658 122.280 114.554 0.114 0.000 2.788 534 T HA 0.388 -10.354 4.350 -25.154 0.000 0.296 534 T C -2.462 172.305 174.700 0.112 0.000 1.009 534 T CA -1.046 61.112 62.100 0.097 0.000 0.949 534 T CB 1.472 70.397 68.868 0.095 0.000 0.946 534 T HN 0.447 nan 8.240 nan 0.000 0.453 535 P HA 0.329 nan 4.420 nan 0.000 0.267 535 P C -0.233 177.140 177.300 0.122 0.000 1.200 535 P CA -0.024 63.145 63.100 0.115 0.000 0.772 535 P CB 0.598 32.347 31.700 0.082 0.000 0.855 536 T N 0.293 114.947 114.554 0.167 0.000 2.840 536 T HA 0.573 -10.169 4.350 -25.154 0.000 0.317 536 T C -0.102 174.731 174.700 0.222 0.000 1.401 536 T CA 0.492 62.688 62.100 0.161 0.000 1.028 536 T CB 0.680 69.641 68.868 0.155 0.000 1.317 536 T HN 0.738 nan 8.240 nan 0.000 0.495 537 G N 2.077 110.982 108.800 0.175 0.000 2.601 537 G HA2 0.144 -10.988 3.960 -25.154 0.000 0.261 537 G HA3 0.144 -10.988 3.960 -25.154 0.000 0.261 537 G C -0.168 174.780 174.900 0.081 0.000 1.289 537 G CA 0.484 45.703 45.100 0.198 0.000 0.920 537 G HN 2.246 nan 8.290 nan 0.000 0.571 538 S N -0.773 114.960 115.700 0.056 0.000 2.543 538 S HA 0.732 -9.890 4.470 -25.154 0.000 0.274 538 S C -0.778 173.737 174.600 -0.141 0.000 1.149 538 S CA 0.150 58.249 58.200 -0.168 0.000 0.866 538 S CB 1.712 64.835 63.200 -0.128 0.000 1.111 538 S HN 2.189 nan 8.310 nan 0.000 0.457 539 W N 1.278 122.360 121.300 -0.364 0.000 2.992 539 W HA 0.791 -9.640 4.660 -25.152 0.000 0.342 539 W C -1.128 175.410 176.519 0.033 0.000 1.176 539 W CA -0.687 56.489 57.345 -0.282 0.000 1.118 539 W CB 1.091 29.990 29.460 -0.936 0.000 1.457 539 W HN 0.985 nan 8.180 nan 0.000 0.573 540 E N 2.121 122.681 120.200 0.600 0.000 2.199 540 E HA 0.355 -10.387 4.350 -25.154 0.000 0.269 540 E C -0.792 176.183 176.600 0.625 0.000 0.899 540 E CA -0.891 55.756 56.400 0.412 0.000 0.772 540 E CB 2.385 32.238 29.700 0.255 0.000 1.155 540 E HN 0.523 nan 8.360 nan 0.000 0.408 541 M N 3.869 123.788 119.600 0.532 0.000 2.251 541 M HA 0.116 -10.497 4.480 -25.154 0.000 0.343 541 M C 0.894 177.355 176.300 0.268 0.000 1.245 541 M CA 2.091 57.667 55.300 0.460 0.000 1.061 541 M CB 0.059 32.889 32.600 0.383 0.000 1.723 541 M HN 0.988 nan 8.290 nan 0.000 0.449 542 G N 3.387 112.300 108.800 0.188 0.000 2.179 542 G HA2 -0.296 -11.428 3.960 -25.154 0.000 0.260 542 G HA3 -0.296 -11.428 3.960 -25.154 0.000 0.260 542 G C 0.031 174.982 174.900 0.085 0.000 0.977 542 G CA 0.610 45.793 45.100 0.139 0.000 0.641 542 G HN 0.707 nan 8.290 nan 0.000 0.533 543 K N 0.679 121.130 120.400 0.084 0.000 2.172 543 K HA 0.532 -10.240 4.320 -25.154 0.000 0.276 543 K C 0.544 177.003 176.600 -0.235 0.000 1.013 543 K CA -0.975 55.266 56.287 -0.076 0.000 0.913 543 K CB 0.546 32.985 32.500 -0.102 0.000 1.055 543 K HN 0.099 nan 8.250 nan 0.000 0.461 544 R N 3.964 124.315 120.500 -0.247 0.000 2.308 544 R HA 0.162 -10.591 4.340 -25.154 0.000 0.305 544 R C -1.411 174.700 176.300 -0.314 0.000 1.053 544 R CA 0.109 56.116 56.100 -0.155 0.000 0.957 544 R CB 0.252 30.539 30.300 -0.021 0.000 1.022 544 R HN 0.612 nan 8.270 nan 0.000 0.461 545 Y N 1.230 121.636 120.300 0.176 0.000 2.562 545 Y HA 0.264 -10.278 4.550 -25.154 0.000 0.343 545 Y C -0.142 175.873 175.900 0.191 0.000 1.025 545 Y CA -0.887 57.337 58.100 0.206 0.000 1.082 545 Y CB 1.638 40.234 38.460 0.227 0.000 1.264 545 Y HN 0.640 nan 8.280 nan 0.000 0.478 546 H N 0.803 120.034 119.070 0.268 0.000 2.476 546 H HA 0.702 -9.834 4.556 -25.154 0.000 0.328 546 H C -1.599 173.759 175.328 0.050 0.000 1.073 546 H CA -0.552 55.608 56.048 0.186 0.000 1.229 546 H CB 0.903 30.861 29.762 0.327 0.000 1.432 546 H HN 0.415 nan 8.280 nan 0.000 0.477 547 V N 6.327 126.034 119.914 -0.345 0.000 2.495 547 V HA 0.409 -10.564 4.120 -25.154 0.000 0.298 547 V C -0.696 175.213 176.094 -0.308 0.000 1.031 547 V CA -0.790 61.340 62.300 -0.283 0.000 0.871 547 V CB 1.750 33.430 31.823 -0.237 0.000 0.988 547 V HN 0.610 nan 8.190 nan 0.000 0.432 548 V N 5.978 125.806 119.914 -0.142 0.000 2.638 548 V HA 0.532 -10.440 4.120 -25.154 0.000 0.306 548 V C -0.569 175.547 176.094 0.036 0.000 1.052 548 V CA -0.502 61.750 62.300 -0.081 0.000 0.885 548 V CB 1.948 33.692 31.823 -0.131 0.000 0.999 548 V HN 0.650 nan 8.190 nan 0.000 0.424 549 L N 4.721 125.960 121.223 0.027 0.000 2.313 549 L HA 0.792 -9.961 4.340 -25.154 0.000 0.283 549 L C 0.095 176.964 176.870 -0.002 0.000 1.013 549 L CA -0.331 54.550 54.840 0.068 0.000 0.816 549 L CB 2.178 44.315 42.059 0.130 0.000 1.236 549 L HN 0.803 nan 8.230 nan 0.000 0.419 550 T N 0.695 115.211 114.554 -0.064 0.000 2.893 550 T HA 0.717 -10.025 4.350 -25.154 0.000 0.291 550 T C -0.593 173.873 174.700 -0.390 0.000 1.028 550 T CA -0.745 61.202 62.100 -0.255 0.000 0.995 550 T CB 2.479 71.289 68.868 -0.096 0.000 1.051 550 T HN 0.440 nan 8.240 nan 0.000 0.470 551 M N 2.378 121.577 119.600 -0.668 0.000 2.271 551 M HA 0.719 -9.893 4.480 -25.154 0.000 0.285 551 M C -1.886 174.242 176.300 -0.286 0.000 1.059 551 M CA -0.416 54.606 55.300 -0.464 0.000 0.940 551 M CB 1.402 33.645 32.600 -0.596 0.000 1.636 551 M HN 1.235 nan 8.290 nan 0.000 0.460 552 A N 3.992 126.730 122.820 -0.137 0.000 2.604 552 A HA 0.669 -10.103 4.320 -25.154 0.000 0.295 552 A C -0.303 177.259 177.584 -0.037 0.000 1.067 552 A CA -0.492 51.506 52.037 -0.065 0.000 0.683 552 A CB 1.026 19.992 19.000 -0.057 0.000 1.281 552 A HN 0.912 nan 8.150 nan 0.000 0.407 553 N N 0.934 119.630 118.700 -0.007 0.000 2.735 553 N HA -0.182 -10.534 4.740 -25.154 0.000 0.248 553 N C 0.004 175.508 175.510 -0.011 0.000 1.083 553 N CA 1.438 54.486 53.050 -0.003 0.000 0.703 553 N CB -1.205 37.276 38.487 -0.011 0.000 1.005 553 N HN 0.942 nan 8.380 nan 0.000 0.550 554 K N -2.190 118.202 120.400 -0.013 0.000 3.274 554 K HA -0.204 -10.977 4.320 -25.154 0.000 0.300 554 K C -0.126 176.464 176.600 -0.018 0.000 1.230 554 K CA 1.246 57.524 56.287 -0.015 0.000 0.884 554 K CB -1.233 31.261 32.500 -0.010 0.000 1.242 554 K HN 0.522 nan 8.250 nan 0.000 0.467 555 I N 0.492 121.044 120.570 -0.030 0.000 2.465 555 I HA 0.353 -10.569 4.170 -25.154 0.000 0.291 555 I C 0.729 176.826 176.117 -0.033 0.000 1.014 555 I CA -0.803 60.477 61.300 -0.033 0.000 1.093 555 I CB 2.013 39.986 38.000 -0.045 0.000 1.267 555 I HN 0.082 nan 8.210 nan 0.000 0.431 556 G N 3.354 112.164 108.800 0.017 0.000 2.388 556 G HA2 0.685 -10.447 3.960 -25.154 0.000 0.330 556 G HA3 0.685 -10.447 3.960 -25.154 0.000 0.330 556 G C -0.942 174.027 174.900 0.114 0.000 1.142 556 G CA -0.267 44.872 45.100 0.064 0.000 0.908 556 G HN 0.529 nan 8.290 nan 0.000 0.473 557 S N -0.838 114.916 115.700 0.089 0.000 2.599 557 S HA 0.707 -9.915 4.470 -25.154 0.000 0.287 557 S C -0.802 173.845 174.600 0.079 0.000 1.105 557 S CA -0.541 57.700 58.200 0.068 0.000 0.899 557 S CB 2.207 65.392 63.200 -0.026 0.000 1.100 557 S HN 0.558 nan 8.310 nan 0.000 0.482 558 V N 2.552 122.450 119.914 -0.026 0.000 2.531 558 V HA 0.501 -10.471 4.120 -25.154 0.000 0.301 558 V C -1.765 174.216 176.094 -0.188 0.000 1.034 558 V CA -0.621 61.652 62.300 -0.044 0.000 0.865 558 V CB 1.078 32.854 31.823 -0.079 0.000 0.995 558 V HN 0.851 nan 8.190 nan 0.000 0.424 559 Y N 4.481 124.700 120.300 -0.135 0.000 2.393 559 Y HA 0.678 -9.864 4.550 -25.154 0.000 0.341 559 Y C -0.109 175.661 175.900 -0.217 0.000 0.988 559 Y CA -1.177 56.838 58.100 -0.142 0.000 1.078 559 Y CB 1.884 40.287 38.460 -0.095 0.000 1.203 559 Y HN 0.339 nan 8.280 nan 0.000 0.453 560 I N 3.436 123.943 120.570 -0.106 0.000 2.418 560 I HA 0.200 -10.723 4.170 -25.154 0.000 0.287 560 I C -0.465 175.584 176.117 -0.113 0.000 1.008 560 I CA -0.959 60.224 61.300 -0.195 0.000 1.104 560 I CB 1.428 39.199 38.000 -0.381 0.000 1.264 560 I HN 0.736 nan 8.210 nan 0.000 0.438 561 D N 5.295 125.621 120.400 -0.122 0.000 2.772 561 D HA -0.186 -10.639 4.640 -25.154 0.000 0.233 561 D C 1.257 176.934 176.300 -1.039 0.000 1.143 561 D CA 1.635 55.266 54.000 -0.615 0.000 0.700 561 D CB -0.990 39.617 40.800 -0.321 0.000 1.076 561 D HN 1.133 nan 8.370 nan 0.000 0.430 562 G N -1.252 107.273 108.800 -0.458 0.000 2.179 562 G HA2 -0.311 -11.443 3.960 -25.154 0.000 0.260 562 G HA3 -0.311 -11.443 3.960 -25.154 0.000 0.260 562 G C -0.050 174.873 174.900 0.038 0.000 0.977 562 G CA 0.479 45.453 45.100 -0.210 0.000 0.641 562 G HN 0.396 nan 8.290 nan 0.000 0.533 563 E N 0.847 121.057 120.200 0.017 0.000 2.222 563 E HA 0.466 -10.276 4.350 -25.154 0.000 0.267 563 E C -2.676 173.887 176.600 -0.061 0.000 0.884 563 E CA -2.133 54.294 56.400 0.045 0.000 0.764 563 E CB 2.192 31.878 29.700 -0.024 0.000 1.169 563 E HN 0.103 nan 8.360 nan 0.000 0.413 564 P HA 0.073 nan 4.420 nan 0.000 0.268 564 P C 0.179 177.345 177.300 -0.223 0.000 1.205 564 P CA 0.001 62.816 63.100 -0.476 0.000 0.771 564 P CB 0.563 31.968 31.700 -0.492 0.000 0.858 565 L N 1.526 122.634 121.223 -0.191 0.000 2.467 565 L HA 0.089 -10.664 4.340 -25.154 0.000 0.270 565 L C 1.363 178.204 176.870 -0.048 0.000 1.205 565 L CA -0.168 54.629 54.840 -0.072 0.000 0.828 565 L CB -0.025 42.020 42.059 -0.024 0.000 1.101 565 L HN 0.468 nan 8.230 nan 0.000 0.479 566 E N 1.287 121.485 120.200 -0.002 0.000 2.452 566 E HA 0.084 -10.659 4.350 -25.154 0.000 0.261 566 E C 0.913 177.509 176.600 -0.006 0.000 0.987 566 E CA 0.802 57.198 56.400 -0.006 0.000 0.926 566 E CB 0.319 30.030 29.700 0.019 0.000 0.934 566 E HN 0.762 nan 8.360 nan 0.000 0.452 567 G N 2.943 111.715 108.800 -0.045 0.000 2.143 567 G HA2 -0.297 -11.429 3.960 -25.154 0.000 0.249 567 G HA3 -0.297 -11.429 3.960 -25.154 0.000 0.249 567 G C 0.303 175.110 174.900 -0.156 0.000 0.981 567 G CA 0.393 45.448 45.100 -0.075 0.000 0.665 567 G HN 0.611 nan 8.290 nan 0.000 0.528 568 S N -0.817 114.802 115.700 -0.136 0.000 2.661 568 S HA 0.602 -10.020 4.470 -25.154 0.000 0.265 568 S C 1.420 175.862 174.600 -0.263 0.000 1.225 568 S CA 1.259 59.348 58.200 -0.184 0.000 0.986 568 S CB 0.702 63.851 63.200 -0.085 0.000 1.008 568 S HN 2.188 nan 8.310 nan 0.000 0.565 569 G N 1.663 110.317 108.800 -0.242 0.000 2.341 569 G HA2 -0.119 -11.251 3.960 -25.154 0.000 0.278 569 G HA3 -0.119 -11.251 3.960 -25.154 0.000 0.278 569 G C -0.473 174.275 174.900 -0.252 0.000 1.111 569 G CA -0.267 44.719 45.100 -0.191 0.000 0.982 569 G HN 0.501 nan 8.290 nan 0.000 0.502 570 Q N -0.277 119.299 119.800 -0.374 0.000 2.297 570 Q HA 0.588 -10.164 4.340 -25.154 0.000 0.268 570 Q C 0.422 176.334 176.000 -0.147 0.000 1.045 570 Q CA -0.481 55.111 55.803 -0.351 0.000 0.861 570 Q CB 1.364 29.692 28.738 -0.684 0.000 1.344 570 Q HN 0.243 nan 8.270 nan 0.000 0.452 571 T N 1.223 115.722 114.554 -0.092 0.000 2.834 571 T HA 0.181 -10.562 4.350 -25.154 0.000 0.298 571 T C 1.105 175.816 174.700 0.019 0.000 0.966 571 T CA -0.014 62.067 62.100 -0.031 0.000 1.141 571 T CB 0.170 69.021 68.868 -0.029 0.000 0.905 571 T HN 0.490 nan 8.240 nan 0.000 0.535 572 V N 1.507 121.444 119.914 0.037 0.000 3.477 572 V HA 0.398 -10.574 4.120 -25.154 0.000 0.297 572 V C 0.153 176.267 176.094 0.033 0.000 1.433 572 V CA -0.232 62.109 62.300 0.068 0.000 1.052 572 V CB 0.279 32.166 31.823 0.106 0.000 0.895 572 V HN 0.498 nan 8.190 nan 0.000 0.438 573 V N 3.991 123.912 119.914 0.011 0.000 2.325 573 V HA 0.544 -10.429 4.120 -25.154 0.000 0.280 573 V C -2.521 173.570 176.094 -0.005 0.000 1.016 573 V CA -1.399 60.898 62.300 -0.005 0.000 0.818 573 V CB 1.303 33.114 31.823 -0.020 0.000 1.019 573 V HN 0.347 nan 8.190 nan 0.000 0.434 574 P HA 0.499 nan 4.420 nan 0.000 0.286 574 P C -0.439 176.857 177.300 -0.006 0.000 1.261 574 P CA 0.033 63.131 63.100 -0.003 0.000 0.821 574 P CB 1.082 32.781 31.700 -0.000 0.000 1.013 575 D N 0.164 120.562 120.400 -0.004 0.000 10.448 575 D HA -0.217 -10.669 4.640 -25.154 0.000 0.360 575 D C -0.012 176.286 176.300 -0.003 0.000 3.024 575 D CA 0.736 54.734 54.000 -0.003 0.000 2.424 575 D CB -1.157 39.641 40.800 -0.004 0.000 1.149 575 D HN 0.517 nan 8.370 nan 0.000 1.024 576 E N -0.787 119.414 120.200 0.001 0.000 2.427 576 E HA -0.029 -10.771 4.350 -25.154 0.000 0.196 576 E C 0.471 177.075 176.600 0.005 0.000 1.028 576 E CA 0.253 56.657 56.400 0.007 0.000 0.864 576 E CB -0.002 29.705 29.700 0.012 0.000 0.813 576 E HN 0.230 nan 8.360 nan 0.000 0.514 577 R N 1.334 121.832 120.500 -0.003 0.000 2.491 577 R HA 0.111 -10.642 4.340 -25.154 0.000 0.283 577 R C -0.142 176.142 176.300 -0.027 0.000 1.072 577 R CA 0.162 56.257 56.100 -0.008 0.000 1.048 577 R CB 0.689 30.981 30.300 -0.012 0.000 0.983 577 R HN -0.118 nan 8.270 nan 0.000 0.450 578 T N 5.666 120.202 114.554 -0.031 0.000 2.901 578 T HA 0.152 -10.591 4.350 -25.154 0.000 0.301 578 T C -1.929 172.702 174.700 -0.116 0.000 1.012 578 T CA -1.086 60.959 62.100 -0.092 0.000 1.135 578 T CB 0.718 69.544 68.868 -0.070 0.000 0.936 578 T HN 0.362 nan 8.240 nan 0.000 0.539 579 P HA 0.212 nan 4.420 nan 0.000 0.270 579 P C -0.580 176.608 177.300 -0.187 0.000 1.223 579 P CA -0.221 62.788 63.100 -0.151 0.000 0.785 579 P CB 0.414 32.020 31.700 -0.157 0.000 0.923 580 D N 1.195 121.500 120.400 -0.159 0.000 2.400 580 D HA 0.249 -10.203 4.640 -25.154 0.000 0.272 580 D C -0.400 175.784 176.300 -0.193 0.000 1.220 580 D CA -0.353 53.544 54.000 -0.172 0.000 0.897 580 D CB -0.436 40.305 40.800 -0.098 0.000 1.134 580 D HN 0.150 nan 8.370 nan 0.000 0.507 581 I N 1.672 122.078 120.570 -0.273 0.000 2.683 581 I HA -0.055 -10.977 4.170 -25.154 0.000 0.286 581 I C 1.743 177.687 176.117 -0.289 0.000 1.175 581 I CA 0.177 61.282 61.300 -0.326 0.000 1.429 581 I CB 1.252 38.960 38.000 -0.487 0.000 1.371 581 I HN 0.256 nan 8.210 nan 0.000 0.569 582 S N 5.826 121.384 115.700 -0.236 0.000 2.371 582 S HA -0.021 -10.643 4.470 -25.154 0.000 0.221 582 S C 0.298 174.886 174.600 -0.020 0.000 1.036 582 S CA 0.677 58.831 58.200 -0.077 0.000 0.965 582 S CB 0.054 63.291 63.200 0.061 0.000 0.845 582 S HN 0.822 nan 8.310 nan 0.000 0.475 583 H N -2.521 116.401 119.070 -0.247 0.000 2.950 583 H HA 0.303 -10.235 4.556 -25.156 0.000 0.307 583 H C -1.773 173.356 175.328 -0.331 0.000 1.403 583 H CA -0.988 54.918 56.048 -0.237 0.000 1.145 583 H CB -0.333 29.430 29.762 0.002 0.000 1.844 583 H HN 0.193 nan 8.280 nan 0.000 0.515 584 F N 1.643 121.658 119.950 0.108 0.000 2.394 584 F HA 0.320 -10.248 4.527 -25.158 0.000 0.340 584 F C 0.075 176.046 175.800 0.285 0.000 1.105 584 F CA -0.836 57.176 58.000 0.020 0.000 1.124 584 F CB 0.909 39.927 39.000 0.031 0.000 1.145 584 F HN 0.425 nan 8.300 nan 0.000 0.505 585 Y N 0.284 120.796 120.300 0.353 0.000 2.387 585 Y HA 0.806 -9.737 4.550 -25.155 0.000 0.336 585 Y C -1.254 174.749 175.900 0.171 0.000 1.067 585 Y CA -1.599 56.683 58.100 0.303 0.000 1.114 585 Y CB 0.932 39.572 38.460 0.300 0.000 1.208 585 Y HN 0.277 nan 8.280 nan 0.000 0.458 586 V N 2.915 122.934 119.914 0.174 0.000 2.569 586 V HA 0.607 -10.365 4.120 -25.154 0.000 0.301 586 V C 0.536 176.510 176.094 -0.199 0.000 1.044 586 V CA -0.480 61.846 62.300 0.043 0.000 0.874 586 V CB 1.051 32.967 31.823 0.155 0.000 1.002 586 V HN 1.305 nan 8.190 nan 0.000 0.424 587 G N 3.027 111.719 108.800 -0.180 0.000 2.153 587 G HA2 0.221 -10.912 3.960 -25.154 0.000 0.252 587 G HA3 0.221 -10.912 3.960 -25.154 0.000 0.252 587 G C 0.675 175.312 174.900 -0.440 0.000 0.994 587 G CA 0.300 45.154 45.100 -0.410 0.000 0.698 587 G HN 2.278 nan 8.290 nan 0.000 0.521 588 G N -2.685 105.968 108.800 -0.245 0.000 2.369 588 G HA2 0.359 -10.773 3.960 -25.154 0.000 0.307 588 G HA3 0.359 -10.773 3.960 -25.154 0.000 0.307 588 G C -0.051 174.741 174.900 -0.181 0.000 1.327 588 G CA 0.078 45.033 45.100 -0.240 0.000 0.963 588 G HN 0.488 nan 8.290 nan 0.000 0.590 589 Y N 0.396 120.669 120.300 -0.045 0.000 2.523 589 Y HA 0.265 -10.278 4.550 -25.155 0.000 0.279 589 Y C 2.013 177.909 175.900 -0.006 0.000 1.139 589 Y CA 0.733 58.794 58.100 -0.065 0.000 1.296 589 Y CB 0.339 38.721 38.460 -0.131 0.000 1.045 589 Y HN 0.577 nan 8.280 nan 0.000 0.538 590 K N 1.301 121.770 120.400 0.115 0.000 3.035 590 K HA -0.217 -10.989 4.320 -25.154 0.000 0.262 590 K C -1.299 175.340 176.600 0.065 0.000 1.024 590 K CA 0.299 56.631 56.287 0.074 0.000 0.748 590 K CB -0.551 31.987 32.500 0.064 0.000 1.247 590 K HN 0.142 nan 8.250 nan 0.000 0.482 591 R N 0.121 120.674 120.500 0.088 0.000 2.483 591 R HA 0.107 -10.645 4.340 -25.154 0.000 0.303 591 R C 1.032 177.356 176.300 0.040 0.000 0.987 591 R CA 0.192 56.316 56.100 0.040 0.000 0.881 591 R CB 1.573 31.873 30.300 0.001 0.000 1.177 591 R HN 0.258 nan 8.270 nan 0.000 0.451 592 S N 0.573 116.288 115.700 0.024 0.000 2.474 592 S HA -0.079 -10.701 4.470 -25.154 0.000 0.235 592 S C 1.559 176.165 174.600 0.012 0.000 0.997 592 S CA 1.050 59.264 58.200 0.023 0.000 0.949 592 S CB 0.128 63.339 63.200 0.017 0.000 0.766 592 S HN 0.701 nan 8.310 nan 0.000 0.517 593 G N 0.988 109.786 108.800 -0.004 0.000 2.712 593 G HA2 0.227 -10.905 3.960 -25.154 0.000 0.212 593 G HA3 0.227 -10.905 3.960 -25.154 0.000 0.212 593 G C 0.475 175.358 174.900 -0.028 0.000 1.142 593 G CA -0.121 44.967 45.100 -0.019 0.000 0.789 593 G HN 0.373 nan 8.290 nan 0.000 0.535 594 M N 0.808 120.397 119.600 -0.019 0.000 2.188 594 M HA 0.275 -10.337 4.480 -25.154 0.000 0.357 594 M C -1.996 174.329 176.300 0.042 0.000 1.204 594 M CA -2.932 52.359 55.300 -0.015 0.000 1.095 594 M CB 1.430 34.020 32.600 -0.017 0.000 1.604 594 M HN -0.170 nan 8.290 nan 0.000 0.464 595 P HA 0.020 nan 4.420 nan 0.000 0.245 595 P C 0.198 177.524 177.300 0.042 0.000 1.212 595 P CA 0.418 63.535 63.100 0.030 0.000 0.774 595 P CB -0.314 31.394 31.700 0.014 0.000 0.999 596 T N -1.998 112.600 114.554 0.073 0.000 2.860 596 T HA 0.288 -10.454 4.350 -25.154 0.000 0.299 596 T C -0.202 174.516 174.700 0.031 0.000 1.045 596 T CA -0.430 61.695 62.100 0.042 0.000 1.071 596 T CB 0.770 69.661 68.868 0.038 0.000 0.985 596 T HN -0.129 nan 8.240 nan 0.000 0.537 597 D N 0.571 120.979 120.400 0.012 0.000 2.358 597 D HA 0.264 -10.188 4.640 -25.154 0.000 0.253 597 D C -1.008 175.323 176.300 0.051 0.000 1.288 597 D CA -0.472 53.550 54.000 0.037 0.000 0.950 597 D CB 0.946 41.773 40.800 0.044 0.000 1.197 597 D HN 0.457 nan 8.370 nan 0.000 0.550 598 S N 3.464 119.200 115.700 0.060 0.000 2.452 598 S HA 0.413 -10.210 4.470 -25.154 0.000 0.284 598 S C 0.243 174.955 174.600 0.186 0.000 1.171 598 S CA -0.684 57.606 58.200 0.149 0.000 1.064 598 S CB 0.965 64.230 63.200 0.108 0.000 0.967 598 S HN 0.259 nan 8.310 nan 0.000 0.484 599 R N 2.810 123.438 120.500 0.214 0.000 2.278 599 R HA 0.477 -10.275 4.340 -25.154 0.000 0.322 599 R C -0.609 175.811 176.300 0.200 0.000 1.058 599 R CA -0.356 55.872 56.100 0.214 0.000 0.991 599 R CB 0.539 30.958 30.300 0.198 0.000 1.140 599 R HN 0.514 nan 8.270 nan 0.000 0.518 600 V N -1.544 118.513 119.914 0.237 0.000 3.178 600 V HA 0.588 -10.384 4.120 -25.154 0.000 0.302 600 V C -0.456 175.768 176.094 0.217 0.000 1.262 600 V CA -0.815 61.518 62.300 0.055 0.000 1.030 600 V CB 2.398 34.203 31.823 -0.030 0.000 1.074 600 V HN 0.377 nan 8.190 nan 0.000 0.438 601 T N 1.958 116.561 114.554 0.081 0.000 2.823 601 T HA 0.777 -9.965 4.350 -25.154 0.000 0.279 601 T C -0.684 174.104 174.700 0.147 0.000 0.998 601 T CA -0.412 61.782 62.100 0.156 0.000 0.994 601 T CB 1.578 70.571 68.868 0.209 0.000 0.960 601 T HN 0.851 nan 8.240 nan 0.000 0.448 602 V N 4.607 124.648 119.914 0.213 0.000 2.656 602 V HA 0.571 -10.402 4.120 -25.154 0.000 0.307 602 V C -0.528 175.756 176.094 0.317 0.000 1.051 602 V CA -1.022 61.453 62.300 0.290 0.000 0.893 602 V CB 2.035 34.134 31.823 0.460 0.000 0.999 602 V HN 0.834 nan 8.190 nan 0.000 0.426 603 N N 2.696 121.566 118.700 0.282 0.000 2.262 603 N HA 0.410 -9.942 4.740 -25.154 0.000 0.295 603 N C -0.646 175.023 175.510 0.266 0.000 1.161 603 N CA -0.814 52.411 53.050 0.292 0.000 0.767 603 N CB 1.901 40.509 38.487 0.201 0.000 1.499 603 N HN 0.810 nan 8.380 nan 0.000 0.476 604 N N -0.523 118.326 118.700 0.248 0.000 2.641 604 N HA -0.161 -10.514 4.740 -25.154 0.000 0.267 604 N C -1.126 174.520 175.510 0.228 0.000 1.087 604 N CA 0.008 53.223 53.050 0.275 0.000 0.731 604 N CB -0.667 38.039 38.487 0.365 0.000 0.886 604 N HN 0.212 nan 8.380 nan 0.000 0.547 605 V N 2.202 122.125 119.914 0.014 0.000 2.408 605 V HA 0.317 -10.655 4.120 -25.154 0.000 0.267 605 V C 0.639 176.795 176.094 0.104 0.000 1.047 605 V CA -0.197 62.065 62.300 -0.063 0.000 0.937 605 V CB 0.936 32.512 31.823 -0.411 0.000 0.999 605 V HN 0.241 nan 8.190 nan 0.000 0.472 606 L N 5.800 127.098 121.223 0.124 0.000 2.325 606 L HA 0.636 -10.117 4.340 -25.154 0.000 0.278 606 L C -0.613 176.279 176.870 0.036 0.000 1.023 606 L CA -0.637 54.245 54.840 0.069 0.000 0.811 606 L CB 1.809 43.852 42.059 -0.027 0.000 1.249 606 L HN 0.456 nan 8.230 nan 0.000 0.431 607 L N 3.074 124.238 121.223 -0.098 0.000 2.349 607 L HA 0.550 -10.202 4.340 -25.154 0.000 0.278 607 L C -1.342 175.302 176.870 -0.376 0.000 0.996 607 L CA -0.044 54.645 54.840 -0.252 0.000 0.825 607 L CB 1.050 42.746 42.059 -0.604 0.000 1.243 607 L HN 0.281 nan 8.230 nan 0.000 0.412 608 Y N 2.564 122.766 120.300 -0.164 0.000 2.487 608 Y HA 0.372 -10.170 4.550 -25.152 0.000 0.337 608 Y C 0.900 176.658 175.900 -0.237 0.000 1.076 608 Y CA -0.627 57.338 58.100 -0.225 0.000 1.115 608 Y CB 1.356 39.714 38.460 -0.171 0.000 1.235 608 Y HN 0.708 nan 8.280 nan 0.000 0.468 609 N N 1.383 119.859 118.700 -0.374 0.000 2.322 609 N HA 0.096 -10.256 4.740 -25.154 0.000 0.216 609 N C -0.620 174.774 175.510 -0.194 0.000 1.144 609 N CA -0.305 52.327 53.050 -0.697 0.000 0.830 609 N CB -0.039 37.574 38.487 -1.456 0.000 1.034 609 N HN 0.759 nan 8.380 nan 0.000 0.484 610 R N -2.340 118.130 120.500 -0.049 0.000 2.752 610 R HA 0.307 -10.445 4.340 -25.154 0.000 0.271 610 R C -1.296 174.966 176.300 -0.064 0.000 1.026 610 R CA -0.978 55.096 56.100 -0.044 0.000 0.901 610 R CB 0.709 30.964 30.300 -0.075 0.000 1.243 610 R HN 0.042 nan 8.270 nan 0.000 0.463 611 Q N 2.065 121.810 119.800 -0.092 0.000 2.314 611 Q HA 0.267 -10.485 4.340 -25.154 0.000 0.257 611 Q C -0.679 175.222 176.000 -0.165 0.000 0.975 611 Q CA -0.501 55.222 55.803 -0.133 0.000 0.933 611 Q CB 0.813 29.486 28.738 -0.109 0.000 1.195 611 Q HN 0.492 nan 8.270 nan 0.000 0.426 612 L N 3.634 124.712 121.223 -0.241 0.000 2.461 612 L HA 0.064 -10.688 4.340 -25.154 0.000 0.272 612 L C 0.721 177.459 176.870 -0.220 0.000 1.197 612 L CA -0.385 54.277 54.840 -0.297 0.000 0.836 612 L CB 0.057 41.858 42.059 -0.429 0.000 1.105 612 L HN 0.794 nan 8.230 nan 0.000 0.477 613 N N 1.538 120.127 118.700 -0.186 0.000 2.379 613 N HA 0.222 -10.130 4.740 -25.154 0.000 0.260 613 N C 0.594 176.016 175.510 -0.148 0.000 1.254 613 N CA 0.028 52.997 53.050 -0.134 0.000 0.958 613 N CB 0.650 39.079 38.487 -0.097 0.000 1.208 613 N HN 0.596 nan 8.380 nan 0.000 0.532 614 A N -0.313 122.452 122.820 -0.092 0.000 1.883 614 A HA -0.250 -11.022 4.320 -25.154 0.000 0.217 614 A C 1.988 179.526 177.584 -0.076 0.000 1.186 614 A CA 1.959 53.953 52.037 -0.071 0.000 0.624 614 A CB -1.250 17.743 19.000 -0.012 0.000 0.822 614 A HN 0.916 nan 8.150 nan 0.000 0.444 615 E N -0.288 119.872 120.200 -0.065 0.000 2.110 615 E HA -0.221 -10.963 4.350 -25.154 0.000 0.193 615 E C 1.893 178.446 176.600 -0.079 0.000 0.988 615 E CA 1.346 57.712 56.400 -0.057 0.000 0.804 615 E CB -0.131 29.540 29.700 -0.049 0.000 0.745 615 E HN 0.761 nan 8.360 nan 0.000 0.458 616 E N 0.254 120.383 120.200 -0.118 0.000 2.072 616 E HA -0.150 -10.892 4.350 -25.154 0.000 0.191 616 E C 2.184 178.691 176.600 -0.155 0.000 0.985 616 E CA 1.061 57.370 56.400 -0.152 0.000 0.801 616 E CB -0.018 29.550 29.700 -0.221 0.000 0.750 616 E HN 0.376 nan 8.360 nan 0.000 0.452 617 I N 0.781 121.240 120.570 -0.184 0.000 2.252 617 I HA -0.245 -11.168 4.170 -25.154 0.000 0.245 617 I C 2.590 178.678 176.117 -0.049 0.000 1.102 617 I CA 0.782 61.976 61.300 -0.176 0.000 1.385 617 I CB -0.112 37.657 38.000 -0.386 0.000 1.064 617 I HN 0.003 nan 8.210 nan 0.000 0.414 618 R N 1.130 121.612 120.500 -0.031 0.000 2.083 618 R HA -0.161 -10.913 4.340 -25.154 0.000 0.237 618 R C 2.154 178.471 176.300 0.029 0.000 1.137 618 R CA 2.374 58.510 56.100 0.060 0.000 0.951 618 R CB -1.096 29.230 30.300 0.042 0.000 0.851 618 R HN 0.220 nan 8.270 nan 0.000 0.434 619 T N 1.076 115.612 114.554 -0.031 0.000 2.746 619 T HA -0.069 -10.811 4.350 -25.154 0.000 0.267 619 T C 1.758 176.412 174.700 -0.078 0.000 1.039 619 T CA 1.525 63.590 62.100 -0.059 0.000 1.142 619 T CB -0.198 68.634 68.868 -0.060 0.000 0.866 619 T HN 0.144 nan 8.240 nan 0.000 0.444 620 L N 0.067 121.259 121.223 -0.051 0.000 2.046 620 L HA -0.048 -10.800 4.340 -25.154 0.000 0.208 620 L C 2.308 179.063 176.870 -0.192 0.000 1.077 620 L CA 1.264 56.090 54.840 -0.024 0.000 0.747 620 L CB -0.545 41.574 42.059 0.101 0.000 0.896 620 L HN 0.226 nan 8.230 nan 0.000 0.432 621 F N 0.897 120.542 119.950 -0.509 0.000 2.075 621 F HA -0.212 -10.778 4.527 -25.154 0.000 0.297 621 F C 2.123 177.693 175.800 -0.383 0.000 1.113 621 F CA 1.545 59.018 58.000 -0.878 0.000 1.218 621 F CB -0.510 38.189 39.000 -0.501 0.000 0.984 621 F HN -0.127 nan 8.300 nan 0.000 0.472 622 L N -0.351 120.507 121.223 -0.609 0.000 2.191 622 L HA -0.156 -10.908 4.340 -25.154 0.000 0.212 622 L C 1.810 178.468 176.870 -0.354 0.000 1.103 622 L CA 1.326 55.811 54.840 -0.592 0.000 0.769 622 L CB -0.658 41.208 42.059 -0.321 0.000 0.908 622 L HN 0.114 nan 8.230 nan 0.000 0.438 623 S N -0.947 114.612 115.700 -0.235 0.000 2.572 623 S HA -0.009 -10.631 4.470 -25.154 0.000 0.228 623 S C 1.620 176.178 174.600 -0.070 0.000 0.963 623 S CA -0.295 57.830 58.200 -0.125 0.000 0.939 623 S CB 0.265 63.416 63.200 -0.082 0.000 0.804 623 S HN 0.485 nan 8.310 nan 0.000 0.480 624 Q N 1.418 121.161 119.800 -0.095 0.000 2.297 624 Q HA -0.135 -10.887 4.340 -25.154 0.000 0.208 624 Q C 0.213 176.257 176.000 0.074 0.000 0.981 624 Q CA 1.433 57.260 55.803 0.039 0.000 0.876 624 Q CB -0.313 28.493 28.738 0.113 0.000 0.921 624 Q HN 0.234 nan 8.270 nan 0.000 0.446 625 D N 0.304 120.719 120.400 0.025 0.000 2.339 625 D HA 0.139 -10.314 4.640 -25.154 0.000 0.217 625 D C 1.271 177.611 176.300 0.067 0.000 1.050 625 D CA 0.303 54.333 54.000 0.050 0.000 0.856 625 D CB 0.445 41.258 40.800 0.021 0.000 0.922 625 D HN 0.347 nan 8.370 nan 0.000 0.518 626 L N 0.211 121.473 121.223 0.064 0.000 2.609 626 L HA 0.229 -10.523 4.340 -25.154 0.000 0.230 626 L C 2.112 179.067 176.870 0.141 0.000 1.087 626 L CA 0.176 55.066 54.840 0.084 0.000 0.874 626 L CB 0.105 42.181 42.059 0.028 0.000 1.114 626 L HN -0.024 nan 8.230 nan 0.000 0.488 627 I N -2.203 118.460 120.570 0.156 0.000 3.419 627 I HA 0.256 -10.667 4.170 -25.154 0.000 0.286 627 I C 1.321 177.728 176.117 0.484 0.000 1.268 627 I CA -0.150 61.285 61.300 0.224 0.000 1.414 627 I CB -0.641 37.437 38.000 0.130 0.000 1.074 627 I HN 0.012 nan 8.210 nan 0.000 0.457 628 G N 1.488 110.517 108.800 0.382 0.000 2.630 628 G HA2 0.182 -10.951 3.960 -25.154 0.000 0.236 628 G HA3 0.182 -10.951 3.960 -25.154 0.000 0.236 628 G C 0.956 176.027 174.900 0.285 0.000 1.248 628 G CA 0.420 45.704 45.100 0.308 0.000 0.844 628 G HN 0.439 nan 8.290 nan 0.000 0.588 629 T N -2.128 112.447 114.554 0.035 0.000 3.129 629 T HA 0.068 -10.675 4.350 -25.154 0.000 0.251 629 T C 1.595 176.335 174.700 0.066 0.000 1.117 629 T CA 0.949 63.061 62.100 0.019 0.000 1.034 629 T CB 0.061 68.711 68.868 -0.364 0.000 0.968 629 T HN 0.691 nan 8.240 nan 0.000 0.526 630 E N 1.942 122.066 120.200 -0.128 0.000 2.086 630 E HA -0.272 -11.014 4.350 -25.154 0.000 0.205 630 E C 2.105 178.471 176.600 -0.390 0.000 1.027 630 E CA 1.701 57.752 56.400 -0.582 0.000 0.830 630 E CB -0.498 28.862 29.700 -0.566 0.000 0.751 630 E HN 0.690 nan 8.360 nan 0.000 0.456 631 A N -0.290 122.336 122.820 -0.323 0.000 2.208 631 A HA 0.054 -10.718 4.320 -25.154 0.000 0.209 631 A C 0.117 177.393 177.584 -0.513 0.000 1.161 631 A CA 0.384 52.152 52.037 -0.448 0.000 0.782 631 A CB -0.275 18.418 19.000 -0.513 0.000 0.816 631 A HN 0.318 nan 8.150 nan 0.000 0.477 632 H N 0.000 119.075 119.070 0.008 0.000 2.539 632 H HA 0.000 -10.536 4.556 -25.154 0.000 0.296 632 H CA 0.000 56.060 56.048 0.019 0.000 1.023 632 H CB 0.000 29.743 29.762 -0.031 0.000 1.292 632 H HN 0.000 nan 8.280 nan 0.000 0.496