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 2wp9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLPVREFDA VVIGAGGAGM RAALQISQSG QTCALLSKVF PTRSHTVSAQ DATA SEQUENCE GGITVALGNT HEDNWEWHMY DTVKGSDYIG DQDAIEYMCK TGPEAILELE DATA SEQUENCE HMGLPFSRLD DGRIYQRPFG GQSKNFGGEQ AARTAAAADR TGHALLHTLY DATA SEQUENCE QQNLKNHTTI FSEWYALDLV KNQDGAVVGC TALCIETGEV VYFKARATVL DATA SEQUENCE ATGGAGRIYQ STTNAHINTG DGVGMAIRAG VPVQDMEMWQ FHPTGIAGAG DATA SEQUENCE VLVTEGCRGE GGYLLNKHGE RFMERYAPNA KDLAGRDVVA RSIMIEIREG DATA SEQUENCE RGCDGPWGPH AKLKLDHLGK EVLESRLPGI LELSRTFAHV DPVKEPIPVI DATA SEQUENCE PTCHYMMGGI PTKVTGQALT VNEKGEDVVV PGLFAVGEIA CVSVHGANRL DATA SEQUENCE GGNSLLDLVV FGRAAGLHLQ ESIAEQGALR DASESDVEAS LDRLNRWNNN DATA SEQUENCE RNGEDPVAIR KALQECMQHN FSVFREGDAM AKGLEQLKVI RERLKNARLD DATA SEQUENCE DTSSEFNTQR VECLELDNLM ETAYATAVSA NFRTESRGAH SRFDFPDRDD DATA SEQUENCE ENWLCHSLYL PESESMTRRS VNMEPKLRPA FPPKIRTY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.315 176.300 0.026 0.000 1.140 1 M CA 0.000 55.319 55.300 0.031 0.000 0.988 1 M CB 0.000 32.627 32.600 0.045 0.000 1.302 2 K N 1.396 121.812 120.400 0.026 0.000 2.537 2 K HA 0.523 4.544 4.320 -0.499 0.000 0.206 2 K C -0.776 175.843 176.600 0.033 0.000 1.041 2 K CA -0.084 56.218 56.287 0.024 0.000 1.090 2 K CB 1.001 33.512 32.500 0.019 0.000 0.833 2 K HN 0.412 nan 8.250 nan 0.000 0.493 3 L N 0.855 122.104 121.223 0.043 0.000 2.464 3 L HA 0.439 4.480 4.340 -0.499 0.000 0.266 3 L C -2.762 174.139 176.870 0.053 0.000 0.965 3 L CA -2.173 52.701 54.840 0.056 0.000 0.833 3 L CB 1.639 43.741 42.059 0.072 0.000 1.296 3 L HN -0.126 nan 8.230 nan 0.000 0.405 4 P HA 0.172 nan 4.420 nan 0.000 0.267 4 P C -1.287 175.986 177.300 -0.044 0.000 1.200 4 P CA -0.127 62.970 63.100 -0.005 0.000 0.772 4 P CB 0.559 32.256 31.700 -0.006 0.000 0.855 5 V N 4.509 124.368 119.914 -0.092 0.000 2.444 5 V HA 0.376 4.197 4.120 -0.499 0.000 0.294 5 V C 0.317 176.240 176.094 -0.285 0.000 1.022 5 V CA -0.493 61.699 62.300 -0.180 0.000 0.850 5 V CB 1.363 33.124 31.823 -0.104 0.000 0.992 5 V HN 0.424 nan 8.190 nan 0.000 0.426 6 R N 3.219 123.460 120.500 -0.432 0.000 2.275 6 R HA 0.455 4.496 4.340 -0.499 0.000 0.326 6 R C -0.434 175.675 176.300 -0.320 0.000 0.973 6 R CA -0.448 55.412 56.100 -0.400 0.000 0.854 6 R CB 2.051 32.031 30.300 -0.535 0.000 1.156 6 R HN 0.779 nan 8.270 nan 0.000 0.487 7 E N 3.496 123.426 120.200 -0.450 0.000 2.191 7 E HA 0.403 4.454 4.350 -0.499 0.000 0.278 7 E C -1.210 175.041 176.600 -0.582 0.000 0.972 7 E CA -0.404 55.784 56.400 -0.353 0.000 0.804 7 E CB 0.794 30.329 29.700 -0.275 0.000 1.110 7 E HN 0.281 nan 8.360 nan 0.000 0.394 8 F N 1.600 121.509 119.950 -0.069 0.000 2.645 8 F HA 0.203 4.431 4.527 -0.498 0.000 0.310 8 F C 0.893 176.668 175.800 -0.043 0.000 1.102 8 F CA -0.885 57.092 58.000 -0.038 0.000 0.952 8 F CB 1.613 40.602 39.000 -0.018 0.000 1.326 8 F HN 0.420 nan 8.300 nan 0.000 0.456 9 D N 0.923 121.414 120.400 0.153 0.000 2.104 9 D HA -0.004 4.336 4.640 -0.499 0.000 0.194 9 D C 0.463 176.792 176.300 0.047 0.000 0.994 9 D CA 1.510 55.551 54.000 0.068 0.000 0.830 9 D CB 0.044 40.865 40.800 0.034 0.000 0.959 9 D HN 0.420 nan 8.370 nan 0.000 0.452 10 A N 0.002 122.848 122.820 0.044 0.000 2.401 10 A HA 0.571 4.591 4.320 -0.499 0.000 0.310 10 A C -0.958 176.574 177.584 -0.087 0.000 1.075 10 A CA -0.525 51.483 52.037 -0.049 0.000 0.746 10 A CB 2.326 21.254 19.000 -0.120 0.000 1.277 10 A HN -0.070 nan 8.150 nan 0.000 0.425 11 V N 2.238 122.076 119.914 -0.125 0.000 2.444 11 V HA 0.415 4.236 4.120 -0.499 0.000 0.294 11 V C -0.605 175.368 176.094 -0.201 0.000 1.022 11 V CA -0.476 61.684 62.300 -0.233 0.000 0.850 11 V CB 1.630 33.332 31.823 -0.201 0.000 0.992 11 V HN 0.667 nan 8.190 nan 0.000 0.426 12 V N 6.688 126.466 119.914 -0.226 0.000 2.347 12 V HA 0.446 4.267 4.120 -0.499 0.000 0.280 12 V C 0.062 176.048 176.094 -0.180 0.000 1.021 12 V CA -0.340 61.862 62.300 -0.164 0.000 0.847 12 V CB 1.576 33.319 31.823 -0.134 0.000 0.990 12 V HN 0.680 nan 8.190 nan 0.000 0.444 13 I N 5.276 125.760 120.570 -0.143 0.000 2.269 13 I HA 0.651 4.522 4.170 -0.499 0.000 0.293 13 I C 0.784 176.835 176.117 -0.109 0.000 1.106 13 I CA 0.151 61.359 61.300 -0.153 0.000 1.248 13 I CB 0.612 38.529 38.000 -0.139 0.000 1.444 13 I HN 0.848 nan 8.210 nan 0.000 0.497 14 G N 4.413 113.152 108.800 -0.103 0.000 2.931 14 G HA2 0.215 3.876 3.960 -0.499 0.000 0.675 14 G HA3 0.215 3.876 3.960 -0.499 0.000 0.675 14 G C -0.618 174.245 174.900 -0.062 0.000 1.339 14 G CA -0.353 44.706 45.100 -0.068 0.000 0.866 14 G HN 0.749 nan 8.290 nan 0.000 0.616 15 A N 1.294 124.079 122.820 -0.058 0.000 2.855 15 A HA 0.808 4.828 4.320 -0.499 0.000 0.301 15 A C 1.211 178.757 177.584 -0.064 0.000 1.076 15 A CA 1.023 53.021 52.037 -0.065 0.000 1.004 15 A CB -0.134 18.816 19.000 -0.085 0.000 1.152 15 A HN 2.062 nan 8.150 nan 0.000 0.531 16 G N -0.556 108.222 108.800 -0.037 0.000 2.494 16 G HA2 0.411 4.071 3.960 -0.499 0.000 0.270 16 G HA3 0.411 4.071 3.960 -0.499 0.000 0.270 16 G C 1.163 176.051 174.900 -0.021 0.000 1.423 16 G CA 0.169 45.254 45.100 -0.026 0.000 1.055 16 G HN 0.577 nan 8.290 nan 0.000 0.536 17 G N -0.122 108.675 108.800 -0.005 0.000 2.459 17 G HA2 -0.006 3.655 3.960 -0.499 0.000 0.217 17 G HA3 -0.006 3.655 3.960 -0.499 0.000 0.217 17 G C 2.013 176.924 174.900 0.018 0.000 1.183 17 G CA 2.061 47.163 45.100 0.003 0.000 0.776 17 G HN 0.926 nan 8.290 nan 0.000 0.552 18 A N 0.794 123.638 122.820 0.039 0.000 1.858 18 A HA 0.139 4.160 4.320 -0.499 0.000 0.216 18 A C 2.744 180.344 177.584 0.026 0.000 1.190 18 A CA 2.272 54.342 52.037 0.054 0.000 0.617 18 A CB -1.182 17.862 19.000 0.074 0.000 0.827 18 A HN 0.592 nan 8.150 nan 0.000 0.443 19 G N -1.053 107.749 108.800 0.004 0.000 2.402 19 G HA2 -0.167 3.494 3.960 -0.499 0.000 0.216 19 G HA3 -0.167 3.494 3.960 -0.499 0.000 0.216 19 G C 1.639 176.520 174.900 -0.031 0.000 1.162 19 G CA 1.071 46.158 45.100 -0.021 0.000 0.777 19 G HN 0.434 nan 8.290 nan 0.000 0.539 20 M N -0.342 119.240 119.600 -0.029 0.000 2.229 20 M HA 0.030 4.210 4.480 -0.499 0.000 0.264 20 M C 2.598 178.879 176.300 -0.031 0.000 1.063 20 M CA 1.053 56.333 55.300 -0.034 0.000 1.114 20 M CB -0.169 32.414 32.600 -0.030 0.000 1.387 20 M HN 0.148 nan 8.290 nan 0.000 0.420 21 R N 1.034 121.525 120.500 -0.016 0.000 2.073 21 R HA -0.045 3.996 4.340 -0.499 0.000 0.234 21 R C 2.092 178.383 176.300 -0.014 0.000 1.134 21 R CA 2.073 58.166 56.100 -0.011 0.000 0.952 21 R CB -0.768 29.536 30.300 0.006 0.000 0.850 21 R HN 0.322 nan 8.270 nan 0.000 0.433 22 A N 0.267 123.082 122.820 -0.009 0.000 1.877 22 A HA -0.046 3.974 4.320 -0.499 0.000 0.216 22 A C 2.391 179.950 177.584 -0.042 0.000 1.186 22 A CA 1.870 53.897 52.037 -0.017 0.000 0.620 22 A CB -1.226 17.765 19.000 -0.015 0.000 0.822 22 A HN 0.483 nan 8.150 nan 0.000 0.443 23 A N -0.546 122.242 122.820 -0.052 0.000 1.873 23 A HA -0.132 3.888 4.320 -0.499 0.000 0.218 23 A C 2.129 179.681 177.584 -0.053 0.000 1.193 23 A CA 1.921 53.920 52.037 -0.063 0.000 0.629 23 A CB -0.775 18.183 19.000 -0.070 0.000 0.826 23 A HN 0.557 nan 8.150 nan 0.000 0.447 24 L N -0.657 120.536 121.223 -0.050 0.000 2.013 24 L HA -0.232 3.808 4.340 -0.499 0.000 0.212 24 L C 2.611 179.456 176.870 -0.041 0.000 1.073 24 L CA 2.720 57.531 54.840 -0.049 0.000 0.753 24 L CB -0.759 41.272 42.059 -0.048 0.000 0.890 24 L HN 0.559 nan 8.230 nan 0.000 0.432 25 Q N -0.599 119.179 119.800 -0.037 0.000 2.083 25 Q HA -0.120 3.921 4.340 -0.499 0.000 0.198 25 Q C 2.152 178.128 176.000 -0.039 0.000 0.969 25 Q CA 1.755 57.537 55.803 -0.035 0.000 0.838 25 Q CB -0.306 28.416 28.738 -0.027 0.000 0.900 25 Q HN 0.606 nan 8.270 nan 0.000 0.436 26 I N -0.301 120.242 120.570 -0.047 0.000 2.286 26 I HA -0.277 3.593 4.170 -0.499 0.000 0.248 26 I C 2.396 178.491 176.117 -0.037 0.000 1.115 26 I CA 1.301 62.569 61.300 -0.053 0.000 1.392 26 I CB -0.365 37.591 38.000 -0.073 0.000 1.065 26 I HN 0.216 nan 8.210 nan 0.000 0.418 27 S N 0.097 115.778 115.700 -0.032 0.000 2.345 27 S HA -0.234 3.937 4.470 -0.499 0.000 0.220 27 S C 2.010 176.601 174.600 -0.015 0.000 1.031 27 S CA 1.473 59.663 58.200 -0.017 0.000 0.996 27 S CB -0.132 63.057 63.200 -0.019 0.000 0.882 27 S HN 0.410 nan 8.310 nan 0.000 0.445 28 Q N 0.407 120.194 119.800 -0.023 0.000 2.181 28 Q HA -0.005 4.036 4.340 -0.499 0.000 0.205 28 Q C 1.921 177.908 176.000 -0.021 0.000 0.980 28 Q CA 1.511 57.301 55.803 -0.021 0.000 0.862 28 Q CB -0.150 28.573 28.738 -0.026 0.000 0.905 28 Q HN 0.395 nan 8.270 nan 0.000 0.429 29 S N -1.050 114.634 115.700 -0.026 0.000 2.660 29 S HA 0.104 4.274 4.470 -0.499 0.000 0.223 29 S C 1.065 175.653 174.600 -0.021 0.000 0.963 29 S CA 0.591 58.773 58.200 -0.029 0.000 0.932 29 S CB 0.195 63.372 63.200 -0.039 0.000 0.775 29 S HN 0.676 nan 8.310 nan 0.000 0.531 30 G N 0.710 109.502 108.800 -0.013 0.000 2.175 30 G HA2 -0.227 3.434 3.960 -0.499 0.000 0.244 30 G HA3 -0.227 3.434 3.960 -0.499 0.000 0.244 30 G C -0.104 174.795 174.900 -0.001 0.000 0.982 30 G CA -0.238 44.858 45.100 -0.006 0.000 0.641 30 G HN 0.504 nan 8.290 nan 0.000 0.527 31 Q N 0.781 120.578 119.800 -0.003 0.000 2.205 31 Q HA 0.609 4.650 4.340 -0.499 0.000 0.249 31 Q C 0.773 176.791 176.000 0.030 0.000 0.948 31 Q CA 0.128 55.935 55.803 0.007 0.000 0.895 31 Q CB 1.168 29.902 28.738 -0.007 0.000 1.249 31 Q HN 0.444 nan 8.270 nan 0.000 0.458 32 T N -2.357 112.234 114.554 0.061 0.000 2.910 32 T HA 0.469 4.520 4.350 -0.499 0.000 0.293 32 T C -0.397 174.401 174.700 0.162 0.000 1.015 32 T CA -0.734 61.446 62.100 0.133 0.000 1.094 32 T CB 0.859 69.829 68.868 0.169 0.000 0.968 32 T HN 0.646 nan 8.240 nan 0.000 0.521 33 C N 2.843 122.240 119.300 0.162 0.000 2.716 33 C HA 0.742 4.903 4.460 -0.499 0.000 0.366 33 C C -0.074 174.808 174.990 -0.180 0.000 1.073 33 C CA -0.415 58.597 59.018 -0.010 0.000 1.260 33 C CB -0.236 27.480 27.740 -0.041 0.000 1.755 33 C HN 1.307 nan 8.230 nan 0.000 0.475 34 A N 5.161 127.619 122.820 -0.603 0.000 2.301 34 A HA 0.692 4.713 4.320 -0.499 0.000 0.298 34 A C -0.837 176.517 177.584 -0.383 0.000 1.185 34 A CA -0.377 51.245 52.037 -0.691 0.000 0.830 34 A CB 0.656 18.761 19.000 -1.493 0.000 1.112 34 A HN 1.169 nan 8.150 nan 0.000 0.508 35 L N 3.948 125.057 121.223 -0.190 0.000 2.277 35 L HA 0.573 4.613 4.340 -0.499 0.000 0.284 35 L C -1.187 175.605 176.870 -0.129 0.000 1.028 35 L CA -0.352 54.394 54.840 -0.158 0.000 0.835 35 L CB 0.717 42.716 42.059 -0.100 0.000 1.215 35 L HN 0.546 nan 8.230 nan 0.000 0.425 36 L N 3.966 125.054 121.223 -0.224 0.000 2.325 36 L HA 0.717 4.758 4.340 -0.499 0.000 0.279 36 L C 0.169 176.988 176.870 -0.084 0.000 1.054 36 L CA 0.236 54.959 54.840 -0.194 0.000 0.804 36 L CB 1.655 43.485 42.059 -0.381 0.000 1.200 36 L HN 0.700 nan 8.230 nan 0.000 0.436 37 S N 0.988 116.698 115.700 0.017 0.000 2.543 37 S HA 0.370 4.541 4.470 -0.499 0.000 0.271 37 S C 0.276 174.936 174.600 0.100 0.000 1.148 37 S CA -0.742 57.472 58.200 0.024 0.000 0.914 37 S CB 1.043 64.240 63.200 -0.005 0.000 1.096 37 S HN 0.725 nan 8.310 nan 0.000 0.471 38 K N 2.094 122.544 120.400 0.082 0.000 2.487 38 K HA 0.218 4.238 4.320 -0.499 0.000 0.192 38 K C 0.527 177.209 176.600 0.136 0.000 1.027 38 K CA 0.394 56.764 56.287 0.139 0.000 1.054 38 K CB -0.236 32.379 32.500 0.192 0.000 0.824 38 K HN 0.454 nan 8.250 nan 0.000 0.510 39 V N -2.488 117.499 119.914 0.121 0.000 3.141 39 V HA 0.469 4.289 4.120 -0.499 0.000 0.312 39 V C -0.329 175.861 176.094 0.159 0.000 1.157 39 V CA -1.538 60.854 62.300 0.154 0.000 1.041 39 V CB 0.975 32.879 31.823 0.135 0.000 1.071 39 V HN 0.090 nan 8.190 nan 0.000 0.441 40 F N 3.301 123.277 119.950 0.043 0.000 2.629 40 F HA 0.328 4.555 4.527 -0.499 0.000 0.377 40 F C -1.534 174.211 175.800 -0.092 0.000 1.101 40 F CA -1.004 56.986 58.000 -0.018 0.000 1.301 40 F CB 1.007 39.983 39.000 -0.041 0.000 1.062 40 F HN 0.432 nan 8.300 nan 0.000 0.583 41 P HA -0.204 nan 4.420 nan 0.000 0.216 41 P C 1.369 178.385 177.300 -0.473 0.000 1.150 41 P CA 2.570 65.344 63.100 -0.543 0.000 0.843 41 P CB -0.283 31.067 31.700 -0.584 0.000 0.787 42 T N -3.550 110.626 114.554 -0.631 0.000 3.160 42 T HA 0.028 4.079 4.350 -0.499 0.000 0.257 42 T C 1.213 175.836 174.700 -0.129 0.000 1.147 42 T CA 0.246 62.097 62.100 -0.414 0.000 1.064 42 T CB -0.615 67.945 68.868 -0.513 0.000 0.949 42 T HN 0.111 nan 8.240 nan 0.000 0.526 43 R N 1.139 121.633 120.500 -0.010 0.000 2.427 43 R HA 0.312 4.353 4.340 -0.499 0.000 0.262 43 R C 0.204 176.534 176.300 0.051 0.000 0.943 43 R CA -0.153 55.987 56.100 0.067 0.000 1.081 43 R CB 0.153 30.534 30.300 0.136 0.000 1.166 43 R HN 0.318 nan 8.270 nan 0.000 0.534 44 S N 0.787 116.486 115.700 -0.001 0.000 2.589 44 S HA -0.023 4.148 4.470 -0.499 0.000 0.265 44 S C 1.034 175.678 174.600 0.074 0.000 1.342 44 S CA -0.372 57.847 58.200 0.032 0.000 1.005 44 S CB 0.835 64.029 63.200 -0.009 0.000 0.909 44 S HN 0.365 nan 8.310 nan 0.000 0.555 45 H N 1.600 120.673 119.070 0.005 0.000 2.456 45 H HA -0.071 4.185 4.556 -0.500 0.000 0.296 45 H C 1.809 177.147 175.328 0.016 0.000 1.079 45 H CA 2.187 58.242 56.048 0.012 0.000 1.322 45 H CB -0.642 29.122 29.762 0.004 0.000 1.388 45 H HN 0.612 nan 8.280 nan 0.000 0.538 46 T N -0.579 113.960 114.554 -0.025 0.000 2.822 46 T HA -0.190 3.861 4.350 -0.499 0.000 0.270 46 T C 2.169 176.809 174.700 -0.100 0.000 1.064 46 T CA 1.177 63.233 62.100 -0.075 0.000 1.131 46 T CB -0.678 68.172 68.868 -0.030 0.000 0.858 46 T HN 0.242 nan 8.240 nan 0.000 0.483 47 V N 1.063 120.933 119.914 -0.073 0.000 2.688 47 V HA -0.153 3.668 4.120 -0.499 0.000 0.256 47 V C 2.172 178.270 176.094 0.006 0.000 1.084 47 V CA 1.856 64.151 62.300 -0.009 0.000 1.103 47 V CB -0.397 31.446 31.823 0.033 0.000 0.688 47 V HN 0.447 nan 8.190 nan 0.000 0.480 48 S N -0.222 115.400 115.700 -0.130 0.000 2.524 48 S HA 0.375 4.546 4.470 -0.499 0.000 0.216 48 S C 0.942 175.470 174.600 -0.121 0.000 0.987 48 S CA 0.356 58.476 58.200 -0.133 0.000 0.909 48 S CB -0.006 63.064 63.200 -0.217 0.000 0.781 48 S HN 0.689 nan 8.310 nan 0.000 0.521 49 A N 1.531 124.273 122.820 -0.130 0.000 2.540 49 A HA 0.167 4.188 4.320 -0.499 0.000 0.239 49 A C 0.899 178.494 177.584 0.017 0.000 1.061 49 A CA 0.140 52.151 52.037 -0.044 0.000 0.758 49 A CB 0.249 19.233 19.000 -0.028 0.000 0.991 49 A HN 0.482 nan 8.150 nan 0.000 0.502 50 Q N 2.432 122.266 119.800 0.057 0.000 2.525 50 Q HA 0.097 4.138 4.340 -0.499 0.000 0.203 50 Q C 2.208 178.274 176.000 0.109 0.000 0.947 50 Q CA 0.617 56.465 55.803 0.076 0.000 0.881 50 Q CB -0.062 28.720 28.738 0.073 0.000 1.049 50 Q HN 0.872 nan 8.270 nan 0.000 0.600 51 G N 0.552 109.464 108.800 0.188 0.000 2.418 51 G HA2 0.169 3.830 3.960 -0.499 0.000 0.217 51 G HA3 0.169 3.830 3.960 -0.499 0.000 0.217 51 G C 0.636 175.513 174.900 -0.037 0.000 1.158 51 G CA 0.919 46.163 45.100 0.240 0.000 0.771 51 G HN 0.557 nan 8.290 nan 0.000 0.545 52 G N -1.225 107.504 108.800 -0.117 0.000 2.302 52 G HA2 0.163 3.824 3.960 -0.499 0.000 0.276 52 G HA3 0.163 3.824 3.960 -0.499 0.000 0.276 52 G C -1.280 173.512 174.900 -0.180 0.000 1.316 52 G CA -0.528 44.498 45.100 -0.124 0.000 0.988 52 G HN 0.478 nan 8.290 nan 0.000 0.479 53 I N 1.221 121.723 120.570 -0.113 0.000 2.389 53 I HA 0.391 4.262 4.170 -0.499 0.000 0.288 53 I C 0.102 176.130 176.117 -0.148 0.000 0.999 53 I CA -0.645 60.608 61.300 -0.078 0.000 1.129 53 I CB 1.987 40.013 38.000 0.042 0.000 1.288 53 I HN 0.383 nan 8.210 nan 0.000 0.444 54 T N 5.953 120.416 114.554 -0.152 0.000 2.761 54 T HA 0.445 4.495 4.350 -0.499 0.000 0.296 54 T C -0.379 174.221 174.700 -0.168 0.000 0.934 54 T CA -0.264 61.715 62.100 -0.201 0.000 1.091 54 T CB 1.147 69.920 68.868 -0.158 0.000 0.896 54 T HN 0.403 nan 8.240 nan 0.000 0.515 55 V N 2.443 122.205 119.914 -0.254 0.000 2.966 55 V HA 0.610 4.431 4.120 -0.499 0.000 0.288 55 V C -0.962 175.035 176.094 -0.162 0.000 1.380 55 V CA -0.936 61.282 62.300 -0.138 0.000 0.966 55 V CB 1.752 33.535 31.823 -0.066 0.000 1.115 55 V HN 0.962 nan 8.190 nan 0.000 0.436 56 A N 6.551 129.339 122.820 -0.053 0.000 3.037 56 A HA 0.428 4.449 4.320 -0.499 0.000 0.272 56 A C 0.875 178.412 177.584 -0.079 0.000 1.723 56 A CA -0.022 51.985 52.037 -0.050 0.000 1.413 56 A CB -0.532 18.509 19.000 0.068 0.000 1.112 56 A HN 0.959 nan 8.150 nan 0.000 0.606 57 L N 0.952 122.092 121.223 -0.139 0.000 2.179 57 L HA 0.089 4.130 4.340 -0.499 0.000 0.208 57 L C 1.936 178.720 176.870 -0.143 0.000 1.096 57 L CA 0.948 55.700 54.840 -0.146 0.000 0.779 57 L CB -0.249 41.695 42.059 -0.192 0.000 0.922 57 L HN 0.812 nan 8.230 nan 0.000 0.443 58 G N 0.019 108.711 108.800 -0.180 0.000 2.147 58 G HA2 -0.275 3.386 3.960 -0.499 0.000 0.244 58 G HA3 -0.275 3.386 3.960 -0.499 0.000 0.244 58 G C 0.563 175.362 174.900 -0.169 0.000 1.005 58 G CA 0.533 45.526 45.100 -0.178 0.000 0.713 58 G HN 0.315 nan 8.290 nan 0.000 0.515 59 N N -0.011 118.573 118.700 -0.193 0.000 2.173 59 N HA 0.001 4.442 4.740 -0.499 0.000 0.184 59 N C 2.205 177.639 175.510 -0.127 0.000 1.025 59 N CA 1.786 54.752 53.050 -0.141 0.000 0.852 59 N CB -0.408 37.994 38.487 -0.141 0.000 0.998 59 N HN 0.360 nan 8.380 nan 0.000 0.427 60 T N -0.046 114.385 114.554 -0.205 0.000 3.067 60 T HA 0.006 4.057 4.350 -0.499 0.000 0.261 60 T C -0.274 174.405 174.700 -0.035 0.000 1.110 60 T CA 0.699 62.724 62.100 -0.126 0.000 1.113 60 T CB -0.106 68.667 68.868 -0.159 0.000 0.917 60 T HN 0.593 nan 8.240 nan 0.000 0.499 61 H N -1.710 117.358 119.070 -0.003 0.000 2.969 61 H HA 0.416 4.673 4.556 -0.499 0.000 0.304 61 H C -1.398 173.943 175.328 0.022 0.000 1.400 61 H CA -1.139 54.922 56.048 0.021 0.000 1.182 61 H CB 0.243 30.029 29.762 0.041 0.000 1.865 61 H HN -0.234 nan 8.280 nan 0.000 0.512 62 E N 1.178 121.521 120.200 0.237 0.000 2.529 62 E HA 0.045 4.095 4.350 -0.499 0.000 0.259 62 E C -0.558 176.176 176.600 0.224 0.000 0.966 62 E CA 0.979 57.464 56.400 0.141 0.000 0.937 62 E CB 0.632 30.406 29.700 0.122 0.000 0.923 62 E HN 0.552 nan 8.360 nan 0.000 0.468 63 D N 1.446 121.819 120.400 -0.044 0.000 2.714 63 D HA 0.385 4.726 4.640 -0.499 0.000 0.278 63 D C -1.103 174.864 176.300 -0.555 0.000 1.102 63 D CA -0.652 53.265 54.000 -0.138 0.000 1.108 63 D CB 1.381 42.155 40.800 -0.043 0.000 1.444 63 D HN 0.273 nan 8.370 nan 0.000 0.568 64 N N 0.775 119.083 118.700 -0.652 0.000 2.493 64 N HA 0.042 4.483 4.740 -0.499 0.000 0.279 64 N C 0.747 176.029 175.510 -0.380 0.000 1.082 64 N CA -0.597 51.984 53.050 -0.782 0.000 0.963 64 N CB 0.751 38.215 38.487 -1.705 0.000 1.627 64 N HN 0.638 nan 8.380 nan 0.000 0.499 65 W N 3.473 124.684 121.300 -0.149 0.000 2.392 65 W HA -0.012 4.348 4.660 -0.499 0.000 0.279 65 W C 0.500 177.083 176.519 0.105 0.000 1.225 65 W CA 0.634 57.991 57.345 0.021 0.000 1.233 65 W CB -0.339 29.124 29.460 0.005 0.000 1.122 65 W HN 0.575 nan 8.180 nan 0.000 0.561 66 E N 0.041 119.740 120.200 -0.835 0.000 2.204 66 E HA -0.165 3.886 4.350 -0.499 0.000 0.194 66 E C 1.962 178.651 176.600 0.148 0.000 0.989 66 E CA 1.546 57.672 56.400 -0.456 0.000 0.824 66 E CB -0.464 28.951 29.700 -0.474 0.000 0.756 66 E HN 0.194 nan 8.360 nan 0.000 0.477 67 W N 0.364 121.528 121.300 -0.226 0.000 2.381 67 W HA -0.104 4.258 4.660 -0.498 0.000 0.301 67 W C 2.099 178.665 176.519 0.079 0.000 1.205 67 W CA 0.855 58.056 57.345 -0.241 0.000 1.285 67 W CB -1.307 27.969 29.460 -0.308 0.000 1.133 67 W HN 0.323 nan 8.180 nan 0.000 0.521 68 H N -0.580 118.639 119.070 0.249 0.000 2.389 68 H HA -0.165 4.091 4.556 -0.500 0.000 0.299 68 H C 2.312 177.771 175.328 0.219 0.000 1.081 68 H CA 1.553 57.731 56.048 0.217 0.000 1.345 68 H CB -0.064 29.817 29.762 0.198 0.000 1.393 68 H HN 0.011 nan 8.280 nan 0.000 0.520 69 M N 0.066 119.827 119.600 0.268 0.000 2.080 69 M HA -0.253 3.927 4.480 -0.499 0.000 0.260 69 M C 2.210 178.562 176.300 0.088 0.000 1.068 69 M CA 1.929 57.364 55.300 0.225 0.000 1.109 69 M CB -0.325 32.550 32.600 0.459 0.000 1.342 69 M HN 0.387 nan 8.290 nan 0.000 0.405 70 Y N 1.191 121.416 120.300 -0.124 0.000 2.097 70 Y HA -0.319 3.931 4.550 -0.499 0.000 0.282 70 Y C 1.871 177.624 175.900 -0.246 0.000 1.152 70 Y CA 2.283 60.048 58.100 -0.558 0.000 1.136 70 Y CB -0.545 37.730 38.460 -0.310 0.000 0.975 70 Y HN 0.334 nan 8.280 nan 0.000 0.498 71 D N -0.644 119.804 120.400 0.079 0.000 2.158 71 D HA -0.172 4.169 4.640 -0.499 0.000 0.197 71 D C 2.076 178.354 176.300 -0.036 0.000 0.995 71 D CA 2.030 56.062 54.000 0.054 0.000 0.846 71 D CB -0.359 40.579 40.800 0.231 0.000 0.941 71 D HN 0.427 nan 8.370 nan 0.000 0.456 72 T N 0.171 114.724 114.554 -0.001 0.000 2.809 72 T HA -0.039 4.012 4.350 -0.499 0.000 0.260 72 T C 2.280 176.916 174.700 -0.107 0.000 1.039 72 T CA 0.447 62.547 62.100 0.000 0.000 1.141 72 T CB -0.182 68.695 68.868 0.015 0.000 0.869 72 T HN -0.050 nan 8.240 nan 0.000 0.437 73 V N 1.873 121.678 119.914 -0.181 0.000 2.295 73 V HA -0.188 3.633 4.120 -0.499 0.000 0.246 73 V C 2.501 178.252 176.094 -0.571 0.000 1.049 73 V CA 1.814 63.962 62.300 -0.254 0.000 1.024 73 V CB -0.526 31.210 31.823 -0.146 0.000 0.648 73 V HN 0.448 nan 8.190 nan 0.000 0.447 74 K N 0.345 120.330 120.400 -0.691 0.000 2.057 74 K HA -0.134 3.887 4.320 -0.499 0.000 0.207 74 K C 2.140 178.464 176.600 -0.460 0.000 1.049 74 K CA 1.674 57.475 56.287 -0.810 0.000 0.931 74 K CB -0.633 31.415 32.500 -0.752 0.000 0.714 74 K HN 0.464 nan 8.250 nan 0.000 0.440 75 G N 0.315 108.989 108.800 -0.210 0.000 2.432 75 G HA2 -0.257 3.404 3.960 -0.499 0.000 0.219 75 G HA3 -0.257 3.404 3.960 -0.499 0.000 0.219 75 G C 1.410 176.292 174.900 -0.030 0.000 1.135 75 G CA 1.038 46.138 45.100 -0.000 0.000 0.767 75 G HN 0.504 nan 8.290 nan 0.000 0.550 76 S N -0.164 115.472 115.700 -0.106 0.000 2.603 76 S HA 0.069 4.239 4.470 -0.499 0.000 0.220 76 S C 0.932 175.490 174.600 -0.071 0.000 0.967 76 S CA 0.815 58.988 58.200 -0.045 0.000 0.920 76 S CB 0.011 63.196 63.200 -0.026 0.000 0.773 76 S HN 0.268 nan 8.310 nan 0.000 0.529 77 D N 0.641 120.937 120.400 -0.173 0.000 2.751 77 D HA -0.264 4.077 4.640 -0.499 0.000 0.233 77 D C -0.491 175.847 176.300 0.064 0.000 1.149 77 D CA 1.016 54.980 54.000 -0.061 0.000 0.682 77 D CB -1.989 38.860 40.800 0.082 0.000 1.068 77 D HN 0.657 nan 8.370 nan 0.000 0.429 78 Y N -3.826 116.483 120.300 0.015 0.000 4.907 78 Y HA -0.348 3.902 4.550 -0.500 0.000 0.246 78 Y C 1.603 177.504 175.900 0.002 0.000 0.968 78 Y CA 1.185 59.295 58.100 0.016 0.000 1.961 78 Y CB -2.362 36.110 38.460 0.019 0.000 1.487 78 Y HN 0.491 nan 8.280 nan 0.000 0.575 79 I N -2.033 118.572 120.570 0.058 0.000 3.941 79 I HA 0.560 4.430 4.170 -0.499 0.000 0.335 79 I C 1.206 177.305 176.117 -0.029 0.000 1.402 79 I CA 0.099 61.366 61.300 -0.054 0.000 1.112 79 I CB 0.240 38.165 38.000 -0.125 0.000 1.043 79 I HN 0.137 nan 8.210 nan 0.000 0.395 80 G N 1.442 110.266 108.800 0.039 0.000 2.403 80 G HA2 0.158 3.818 3.960 -0.499 0.000 0.259 80 G HA3 0.158 3.818 3.960 -0.499 0.000 0.259 80 G C -0.584 174.379 174.900 0.106 0.000 1.244 80 G CA -0.338 44.810 45.100 0.080 0.000 0.849 80 G HN 0.252 nan 8.290 nan 0.000 0.532 81 D N 2.110 122.592 120.400 0.136 0.000 2.371 81 D HA 0.026 4.367 4.640 -0.499 0.000 0.256 81 D C 1.268 177.639 176.300 0.119 0.000 1.193 81 D CA 0.274 54.355 54.000 0.135 0.000 0.881 81 D CB 1.815 42.684 40.800 0.116 0.000 1.143 81 D HN 0.501 nan 8.370 nan 0.000 0.473 82 Q N 1.419 121.302 119.800 0.138 0.000 2.123 82 Q HA -0.136 3.904 4.340 -0.499 0.000 0.199 82 Q C 1.519 177.622 176.000 0.172 0.000 0.966 82 Q CA 0.891 56.797 55.803 0.172 0.000 0.845 82 Q CB 0.189 29.046 28.738 0.199 0.000 0.907 82 Q HN 0.539 nan 8.270 nan 0.000 0.439 83 D N 0.798 121.279 120.400 0.135 0.000 2.117 83 D HA -0.169 4.172 4.640 -0.499 0.000 0.197 83 D C 1.673 178.068 176.300 0.158 0.000 0.987 83 D CA 1.545 55.624 54.000 0.131 0.000 0.829 83 D CB -0.282 40.570 40.800 0.086 0.000 0.961 83 D HN 0.167 nan 8.370 nan 0.000 0.460 84 A N 0.682 123.583 122.820 0.136 0.000 1.929 84 A HA 0.023 4.044 4.320 -0.499 0.000 0.216 84 A C 2.588 180.334 177.584 0.270 0.000 1.176 84 A CA 0.998 53.147 52.037 0.186 0.000 0.628 84 A CB -0.714 18.319 19.000 0.055 0.000 0.816 84 A HN 0.285 nan 8.150 nan 0.000 0.444 85 I N -0.489 120.193 120.570 0.187 0.000 2.315 85 I HA -0.244 3.627 4.170 -0.499 0.000 0.248 85 I C 2.521 178.752 176.117 0.190 0.000 1.117 85 I CA 1.668 63.068 61.300 0.165 0.000 1.404 85 I CB -0.307 37.770 38.000 0.128 0.000 1.071 85 I HN 0.563 nan 8.210 nan 0.000 0.419 86 E N 0.917 121.260 120.200 0.239 0.000 2.038 86 E HA -0.325 3.725 4.350 -0.499 0.000 0.195 86 E C 2.323 178.964 176.600 0.068 0.000 1.000 86 E CA 1.724 58.275 56.400 0.250 0.000 0.803 86 E CB -0.335 29.525 29.700 0.266 0.000 0.750 86 E HN 0.506 nan 8.360 nan 0.000 0.448 87 Y N 0.726 121.028 120.300 0.004 0.000 2.165 87 Y HA -0.261 3.990 4.550 -0.499 0.000 0.286 87 Y C 2.387 178.204 175.900 -0.138 0.000 1.155 87 Y CA 2.324 60.382 58.100 -0.070 0.000 1.164 87 Y CB -0.183 38.288 38.460 0.018 0.000 0.978 87 Y HN 0.123 nan 8.280 nan 0.000 0.513 88 M N -1.109 118.521 119.600 0.050 0.000 2.077 88 M HA -0.230 3.950 4.480 -0.499 0.000 0.261 88 M C 2.100 178.307 176.300 -0.155 0.000 1.070 88 M CA 2.272 57.517 55.300 -0.092 0.000 1.125 88 M CB -0.509 32.161 32.600 0.116 0.000 1.339 88 M HN 0.437 nan 8.290 nan 0.000 0.409 89 C N 0.278 119.522 119.300 -0.094 0.000 2.450 89 C HA -0.075 4.086 4.460 -0.499 0.000 0.279 89 C C 2.615 177.578 174.990 -0.045 0.000 1.335 89 C CA 1.124 60.129 59.018 -0.021 0.000 1.749 89 C CB -1.019 26.739 27.740 0.030 0.000 1.963 89 C HN 0.594 nan 8.230 nan 0.000 0.501 90 K N 1.312 121.480 120.400 -0.386 0.000 2.031 90 K HA -0.082 3.938 4.320 -0.499 0.000 0.205 90 K C 1.816 178.081 176.600 -0.559 0.000 1.049 90 K CA 1.937 57.714 56.287 -0.850 0.000 0.939 90 K CB -0.654 31.015 32.500 -1.385 0.000 0.717 90 K HN 0.321 nan 8.250 nan 0.000 0.438 91 T N 0.034 114.249 114.554 -0.564 0.000 2.915 91 T HA -0.010 4.041 4.350 -0.499 0.000 0.269 91 T C 1.685 176.194 174.700 -0.319 0.000 1.071 91 T CA 1.051 62.844 62.100 -0.512 0.000 1.132 91 T CB -0.633 67.767 68.868 -0.779 0.000 0.878 91 T HN 0.526 nan 8.240 nan 0.000 0.479 92 G N 2.605 111.262 108.800 -0.237 0.000 2.529 92 G HA2 -0.213 3.447 3.960 -0.499 0.000 0.219 92 G HA3 -0.213 3.447 3.960 -0.499 0.000 0.219 92 G C -0.680 174.154 174.900 -0.110 0.000 1.177 92 G CA 0.813 45.838 45.100 -0.125 0.000 0.773 92 G HN 0.396 nan 8.290 nan 0.000 0.573 93 P HA -0.114 nan 4.420 nan 0.000 0.214 93 P C 1.644 178.866 177.300 -0.130 0.000 1.163 93 P CA 1.722 64.758 63.100 -0.106 0.000 0.889 93 P CB 0.013 31.659 31.700 -0.090 0.000 0.790 94 E N -0.111 120.003 120.200 -0.144 0.000 2.085 94 E HA -0.184 3.867 4.350 -0.499 0.000 0.194 94 E C 1.942 178.456 176.600 -0.144 0.000 0.994 94 E CA 1.749 58.061 56.400 -0.147 0.000 0.801 94 E CB -1.206 28.404 29.700 -0.148 0.000 0.743 94 E HN 0.074 nan 8.360 nan 0.000 0.453 95 A N 0.290 123.028 122.820 -0.137 0.000 1.972 95 A HA -0.124 3.897 4.320 -0.499 0.000 0.219 95 A C 2.063 179.598 177.584 -0.081 0.000 1.169 95 A CA 1.462 53.433 52.037 -0.110 0.000 0.635 95 A CB -0.424 18.507 19.000 -0.114 0.000 0.810 95 A HN 0.324 nan 8.150 nan 0.000 0.446 96 I N -0.345 120.176 120.570 -0.081 0.000 2.480 96 I HA -0.056 3.815 4.170 -0.499 0.000 0.251 96 I C 2.344 178.421 176.117 -0.068 0.000 1.124 96 I CA 0.645 61.923 61.300 -0.037 0.000 1.444 96 I CB -1.332 36.641 38.000 -0.045 0.000 1.098 96 I HN 0.261 nan 8.210 nan 0.000 0.428 97 L N 0.493 121.623 121.223 -0.155 0.000 2.079 97 L HA -0.236 3.805 4.340 -0.499 0.000 0.210 97 L C 2.493 179.143 176.870 -0.366 0.000 1.081 97 L CA 1.451 56.143 54.840 -0.246 0.000 0.752 97 L CB -0.541 41.355 42.059 -0.272 0.000 0.896 97 L HN 0.318 nan 8.230 nan 0.000 0.433 98 E N 0.684 120.721 120.200 -0.271 0.000 2.118 98 E HA -0.233 3.817 4.350 -0.499 0.000 0.195 98 E C 2.325 178.878 176.600 -0.079 0.000 0.992 98 E CA 1.091 57.362 56.400 -0.216 0.000 0.804 98 E CB -0.035 29.592 29.700 -0.121 0.000 0.741 98 E HN 0.474 nan 8.360 nan 0.000 0.458 99 L N 0.849 122.067 121.223 -0.008 0.000 2.083 99 L HA -0.149 3.892 4.340 -0.499 0.000 0.209 99 L C 2.776 179.724 176.870 0.130 0.000 1.083 99 L CA 0.989 55.867 54.840 0.063 0.000 0.752 99 L CB -0.504 41.617 42.059 0.103 0.000 0.899 99 L HN 0.217 nan 8.230 nan 0.000 0.433 100 E N 0.313 120.633 120.200 0.199 0.000 2.106 100 E HA -0.218 3.833 4.350 -0.499 0.000 0.192 100 E C 1.960 178.723 176.600 0.270 0.000 0.984 100 E CA 1.428 58.004 56.400 0.292 0.000 0.806 100 E CB -0.051 29.811 29.700 0.270 0.000 0.750 100 E HN 0.650 nan 8.360 nan 0.000 0.458 101 H N -0.936 118.171 119.070 0.062 0.000 2.495 101 H HA 0.048 4.305 4.556 -0.499 0.000 0.287 101 H C 1.833 177.171 175.328 0.018 0.000 1.033 101 H CA 0.526 56.591 56.048 0.030 0.000 1.307 101 H CB 0.101 29.870 29.762 0.011 0.000 1.401 101 H HN 0.141 nan 8.280 nan 0.000 0.555 102 M N -0.217 119.464 119.600 0.134 0.000 2.659 102 M HA 0.057 4.238 4.480 -0.499 0.000 0.243 102 M C 1.358 177.684 176.300 0.043 0.000 1.111 102 M CA 0.848 56.184 55.300 0.060 0.000 1.070 102 M CB 0.723 33.339 32.600 0.027 0.000 1.525 102 M HN 0.507 nan 8.290 nan 0.000 0.517 103 G N 1.170 110.012 108.800 0.069 0.000 2.176 103 G HA2 -0.233 3.428 3.960 -0.499 0.000 0.232 103 G HA3 -0.233 3.428 3.960 -0.499 0.000 0.232 103 G C 0.025 174.938 174.900 0.021 0.000 0.986 103 G CA -0.485 44.642 45.100 0.046 0.000 0.643 103 G HN 0.430 nan 8.290 nan 0.000 0.522 104 L N 2.622 123.842 121.223 -0.005 0.000 2.640 104 L HA 0.263 4.304 4.340 -0.499 0.000 0.280 104 L C -1.123 175.667 176.870 -0.133 0.000 1.229 104 L CA -0.540 54.217 54.840 -0.138 0.000 0.919 104 L CB 0.592 42.471 42.059 -0.300 0.000 1.168 104 L HN 0.032 nan 8.230 nan 0.000 0.496 105 P HA 0.092 nan 4.420 nan 0.000 0.225 105 P C -0.566 176.705 177.300 -0.048 0.000 1.813 105 P CA -0.228 62.844 63.100 -0.046 0.000 1.013 105 P CB -0.324 31.364 31.700 -0.019 0.000 1.961 106 F N 0.590 120.567 119.950 0.045 0.000 2.589 106 F HA -0.017 4.210 4.527 -0.500 0.000 0.352 106 F C 1.694 177.529 175.800 0.057 0.000 1.168 106 F CA 0.849 58.881 58.000 0.055 0.000 1.353 106 F CB 0.050 39.080 39.000 0.050 0.000 1.116 106 F HN 0.098 nan 8.300 nan 0.000 0.608 107 S N 2.744 118.622 115.700 0.297 0.000 2.589 107 S HA 0.442 4.613 4.470 -0.499 0.000 0.265 107 S C 0.023 174.738 174.600 0.191 0.000 1.342 107 S CA -0.738 57.565 58.200 0.172 0.000 1.005 107 S CB 0.601 63.866 63.200 0.108 0.000 0.909 107 S HN 0.322 nan 8.310 nan 0.000 0.555 108 R N 0.505 121.056 120.500 0.085 0.000 2.750 108 R HA 0.511 4.552 4.340 -0.499 0.000 0.281 108 R C -0.622 175.720 176.300 0.070 0.000 0.972 108 R CA -0.668 55.487 56.100 0.091 0.000 0.912 108 R CB 0.852 31.188 30.300 0.059 0.000 1.187 108 R HN 0.515 nan 8.270 nan 0.000 0.464 109 L N 1.150 122.434 121.223 0.102 0.000 2.479 109 L HA 0.145 4.185 4.340 -0.499 0.000 0.249 109 L C 1.206 178.103 176.870 0.044 0.000 1.178 109 L CA -0.404 54.490 54.840 0.090 0.000 0.811 109 L CB 0.493 42.607 42.059 0.092 0.000 1.187 109 L HN 0.479 nan 8.230 nan 0.000 0.480 110 D N 0.247 120.669 120.400 0.036 0.000 2.221 110 D HA -0.166 4.175 4.640 -0.499 0.000 0.204 110 D C 1.172 177.484 176.300 0.020 0.000 0.982 110 D CA 1.250 55.264 54.000 0.022 0.000 0.857 110 D CB -0.169 40.643 40.800 0.020 0.000 0.934 110 D HN 0.603 nan 8.370 nan 0.000 0.475 111 D N -1.575 118.839 120.400 0.023 0.000 2.339 111 D HA 0.163 4.504 4.640 -0.499 0.000 0.217 111 D C 1.520 177.830 176.300 0.016 0.000 1.050 111 D CA 0.709 54.719 54.000 0.017 0.000 0.856 111 D CB 0.107 40.916 40.800 0.014 0.000 0.922 111 D HN 0.183 nan 8.370 nan 0.000 0.518 112 G N -0.205 108.608 108.800 0.022 0.000 2.195 112 G HA2 -0.263 3.397 3.960 -0.499 0.000 0.224 112 G HA3 -0.263 3.397 3.960 -0.499 0.000 0.224 112 G C 0.360 175.275 174.900 0.026 0.000 0.990 112 G CA -0.283 44.831 45.100 0.024 0.000 0.639 112 G HN 0.389 nan 8.290 nan 0.000 0.514 113 R N -0.209 120.302 120.500 0.018 0.000 2.577 113 R HA 0.599 4.640 4.340 -0.499 0.000 0.269 113 R C 0.777 177.077 176.300 0.001 0.000 1.084 113 R CA -0.687 55.412 56.100 -0.003 0.000 1.163 113 R CB 0.716 31.003 30.300 -0.022 0.000 1.100 113 R HN 0.253 nan 8.270 nan 0.000 0.547 114 I N 2.183 122.714 120.570 -0.066 0.000 2.668 114 I HA -0.149 3.722 4.170 -0.499 0.000 0.285 114 I C 0.199 176.298 176.117 -0.031 0.000 1.168 114 I CA 0.315 61.549 61.300 -0.110 0.000 1.424 114 I CB -0.068 37.679 38.000 -0.422 0.000 1.377 114 I HN 0.423 nan 8.210 nan 0.000 0.560 115 Y N 7.650 127.917 120.300 -0.056 0.000 2.526 115 Y HA 0.124 4.374 4.550 -0.500 0.000 0.330 115 Y C -0.141 175.728 175.900 -0.052 0.000 1.156 115 Y CA -0.055 58.027 58.100 -0.029 0.000 1.419 115 Y CB 0.338 38.812 38.460 0.023 0.000 1.250 115 Y HN 0.497 nan 8.280 nan 0.000 0.540 116 Q N 6.498 125.899 119.800 -0.666 0.000 2.353 116 Q HA 0.477 4.518 4.340 -0.499 0.000 0.268 116 Q C -1.060 174.421 176.000 -0.866 0.000 1.045 116 Q CA -1.176 54.233 55.803 -0.658 0.000 0.811 116 Q CB 2.420 30.929 28.738 -0.383 0.000 1.305 116 Q HN 0.767 nan 8.270 nan 0.000 0.447 117 R N 0.580 120.727 120.500 -0.590 0.000 2.832 117 R HA 0.714 4.755 4.340 -0.499 0.000 0.271 117 R C -2.808 173.465 176.300 -0.045 0.000 0.996 117 R CA -2.222 53.702 56.100 -0.294 0.000 0.977 117 R CB 0.538 30.794 30.300 -0.074 0.000 1.168 117 R HN 0.206 nan 8.270 nan 0.000 0.482 118 P HA 0.166 nan 4.420 nan 0.000 0.272 118 P C -1.282 176.192 177.300 0.290 0.000 1.230 118 P CA -0.031 63.148 63.100 0.131 0.000 0.788 118 P CB 0.341 32.100 31.700 0.098 0.000 0.949 119 F N -1.034 118.908 119.950 -0.013 0.000 2.779 119 F HA 0.513 4.745 4.527 -0.491 0.000 0.316 119 F C 0.211 175.994 175.800 -0.028 0.000 1.164 119 F CA -0.471 57.518 58.000 -0.018 0.000 0.924 119 F CB 1.041 40.029 39.000 -0.021 0.000 1.348 119 F HN 0.305 nan 8.300 nan 0.000 0.467 120 G N 0.339 109.090 108.800 -0.082 0.000 2.442 120 G HA2 0.445 4.106 3.960 -0.499 0.000 0.249 120 G HA3 0.445 4.106 3.960 -0.499 0.000 0.249 120 G C 0.589 175.491 174.900 0.004 0.000 1.263 120 G CA 0.297 45.334 45.100 -0.104 0.000 0.846 120 G HN 1.713 nan 8.290 nan 0.000 0.555 121 G N 0.665 109.457 108.800 -0.013 0.000 2.171 121 G HA2 -0.203 3.457 3.960 -0.499 0.000 0.238 121 G HA3 -0.203 3.457 3.960 -0.499 0.000 0.238 121 G C 0.086 175.076 174.900 0.151 0.000 1.039 121 G CA 0.223 45.377 45.100 0.090 0.000 0.759 121 G HN 0.844 nan 8.290 nan 0.000 0.501 122 Q N 0.141 120.019 119.800 0.130 0.000 2.310 122 Q HA 0.621 4.662 4.340 -0.499 0.000 0.270 122 Q C -0.189 175.867 176.000 0.093 0.000 1.025 122 Q CA -0.058 55.820 55.803 0.125 0.000 0.772 122 Q CB 2.173 30.981 28.738 0.117 0.000 1.253 122 Q HN 0.751 nan 8.270 nan 0.000 0.450 123 S N 1.782 117.528 115.700 0.076 0.000 2.588 123 S HA 0.627 4.797 4.470 -0.499 0.000 0.275 123 S C -0.962 173.523 174.600 -0.191 0.000 1.130 123 S CA -1.041 57.133 58.200 -0.042 0.000 0.855 123 S CB 2.043 65.229 63.200 -0.023 0.000 1.116 123 S HN 0.414 nan 8.310 nan 0.000 0.472 124 K N 1.068 121.216 120.400 -0.420 0.000 2.098 124 K HA 0.469 4.490 4.320 -0.499 0.000 0.258 124 K C -0.444 175.323 176.600 -1.389 0.000 0.973 124 K CA -0.791 54.916 56.287 -0.966 0.000 0.898 124 K CB 0.343 32.385 32.500 -0.764 0.000 1.057 124 K HN 0.827 nan 8.250 nan 0.000 0.447 125 N N 1.107 118.198 118.700 -2.681 0.000 2.740 125 N HA -0.205 4.235 4.740 -0.499 0.000 0.248 125 N C -1.297 173.676 175.510 -0.896 0.000 1.062 125 N CA 0.514 52.619 53.050 -1.574 0.000 0.704 125 N CB -1.536 36.514 38.487 -0.730 0.000 0.968 125 N HN 0.616 nan 8.380 nan 0.000 0.547 126 F N -1.881 117.535 119.950 -0.890 0.000 2.807 126 F HA -0.146 4.081 4.527 -0.500 0.000 0.297 126 F C 1.439 176.653 175.800 -0.976 0.000 1.024 126 F CA 1.130 58.499 58.000 -1.053 0.000 1.008 126 F CB -1.808 36.722 39.000 -0.782 0.000 1.142 126 F HN 0.467 nan 8.300 nan 0.000 0.829 127 G N -1.231 107.310 108.800 -0.433 0.000 2.159 127 G HA2 0.100 3.761 3.960 -0.499 0.000 0.227 127 G HA3 0.100 3.761 3.960 -0.499 0.000 0.227 127 G C 0.838 175.667 174.900 -0.118 0.000 0.986 127 G CA -0.027 45.022 45.100 -0.086 0.000 0.651 127 G HN 1.361 nan 8.290 nan 0.000 0.523 128 G N -0.361 108.296 108.800 -0.238 0.000 2.735 128 G HA2 0.479 4.139 3.960 -0.499 0.000 0.192 128 G HA3 0.479 4.139 3.960 -0.499 0.000 0.192 128 G C 0.286 175.087 174.900 -0.166 0.000 1.547 128 G CA 0.381 45.354 45.100 -0.211 0.000 1.080 128 G HN 0.615 nan 8.290 nan 0.000 0.569 129 E N -0.293 119.795 120.200 -0.187 0.000 2.459 129 E HA 0.057 4.108 4.350 -0.499 0.000 0.264 129 E C 0.270 176.788 176.600 -0.136 0.000 1.055 129 E CA -0.145 56.168 56.400 -0.146 0.000 0.957 129 E CB 0.390 29.991 29.700 -0.165 0.000 0.952 129 E HN 0.326 nan 8.360 nan 0.000 0.448 130 Q N 1.594 121.346 119.800 -0.080 0.000 2.330 130 Q HA 0.225 4.266 4.340 -0.499 0.000 0.279 130 Q C -1.312 174.654 176.000 -0.056 0.000 1.024 130 Q CA 0.337 56.117 55.803 -0.039 0.000 0.900 130 Q CB 1.103 29.838 28.738 -0.006 0.000 1.221 130 Q HN 0.486 nan 8.270 nan 0.000 0.396 131 A N 2.960 125.787 122.820 0.011 0.000 2.288 131 A HA 0.881 4.902 4.320 -0.499 0.000 0.328 131 A C -1.047 176.662 177.584 0.209 0.000 1.123 131 A CA -0.299 51.807 52.037 0.116 0.000 0.861 131 A CB 1.367 20.479 19.000 0.185 0.000 1.272 131 A HN 0.983 nan 8.150 nan 0.000 0.490 132 A N 0.513 123.561 122.820 0.380 0.000 2.646 132 A HA 0.570 4.590 4.320 -0.499 0.000 0.312 132 A C 0.166 177.718 177.584 -0.053 0.000 1.245 132 A CA -0.427 51.677 52.037 0.112 0.000 0.755 132 A CB 0.094 19.138 19.000 0.074 0.000 1.132 132 A HN 1.029 nan 8.150 nan 0.000 0.458 133 R N 0.406 120.861 120.500 -0.075 0.000 2.572 133 R HA 0.207 4.248 4.340 -0.499 0.000 0.370 133 R C -0.783 175.379 176.300 -0.230 0.000 1.005 133 R CA -0.004 55.988 56.100 -0.181 0.000 1.146 133 R CB 0.175 30.378 30.300 -0.163 0.000 1.390 133 R HN 0.303 nan 8.270 nan 0.000 0.553 134 T N 1.822 116.234 114.554 -0.237 0.000 2.747 134 T HA 0.463 4.513 4.350 -0.499 0.000 0.301 134 T C 0.113 174.651 174.700 -0.269 0.000 0.952 134 T CA -0.253 61.657 62.100 -0.318 0.000 0.983 134 T CB 1.201 69.736 68.868 -0.556 0.000 0.930 134 T HN 0.385 nan 8.240 nan 0.000 0.494 135 A N 3.263 125.962 122.820 -0.202 0.000 2.440 135 A HA 0.711 4.732 4.320 -0.499 0.000 0.251 135 A C 0.419 178.068 177.584 0.109 0.000 1.089 135 A CA -0.546 51.417 52.037 -0.124 0.000 0.779 135 A CB 0.090 18.951 19.000 -0.231 0.000 1.022 135 A HN 1.021 nan 8.150 nan 0.000 0.492 136 A N 1.212 124.191 122.820 0.265 0.000 2.539 136 A HA 0.792 4.812 4.320 -0.499 0.000 0.296 136 A C -0.280 177.518 177.584 0.357 0.000 1.073 136 A CA 0.021 52.234 52.037 0.293 0.000 0.700 136 A CB 1.429 20.573 19.000 0.240 0.000 1.296 136 A HN 2.251 nan 8.150 nan 0.000 0.405 137 A N 1.422 124.344 122.820 0.171 0.000 2.394 137 A HA 0.759 4.780 4.320 -0.499 0.000 0.333 137 A C 0.900 178.537 177.584 0.088 0.000 1.397 137 A CA 0.651 52.745 52.037 0.096 0.000 0.884 137 A CB -0.729 18.258 19.000 -0.023 0.000 1.147 137 A HN 2.841 nan 8.150 nan 0.000 0.505 138 A N 2.504 125.379 122.820 0.091 0.000 5.395 138 A HA -0.276 3.745 4.320 -0.499 0.000 0.332 138 A C 0.826 178.468 177.584 0.096 0.000 1.754 138 A CA 1.927 54.003 52.037 0.065 0.000 0.716 138 A CB -1.300 17.713 19.000 0.023 0.000 1.411 138 A HN 1.580 nan 8.150 nan 0.000 0.398 139 D N -0.425 120.014 120.400 0.066 0.000 2.772 139 D HA 0.376 4.716 4.640 -0.499 0.000 0.272 139 D C 0.478 176.809 176.300 0.052 0.000 1.314 139 D CA -0.005 54.040 54.000 0.076 0.000 0.835 139 D CB -0.253 40.591 40.800 0.073 0.000 1.080 139 D HN 0.585 nan 8.370 nan 0.000 0.482 140 R N -0.409 120.120 120.500 0.047 0.000 2.700 140 R HA 0.212 4.252 4.340 -0.499 0.000 0.399 140 R C 0.680 177.030 176.300 0.083 0.000 1.115 140 R CA -0.171 55.959 56.100 0.050 0.000 1.058 140 R CB 0.330 30.633 30.300 0.005 0.000 1.389 140 R HN -0.023 nan 8.270 nan 0.000 0.582 141 T N 0.088 114.675 114.554 0.054 0.000 2.759 141 T HA -0.145 3.906 4.350 -0.499 0.000 0.269 141 T C 1.987 176.692 174.700 0.009 0.000 1.042 141 T CA 1.874 63.984 62.100 0.016 0.000 1.140 141 T CB -0.061 68.818 68.868 0.020 0.000 0.864 141 T HN 0.564 nan 8.240 nan 0.000 0.455 142 G N 0.436 109.255 108.800 0.031 0.000 2.402 142 G HA2 -0.251 3.409 3.960 -0.499 0.000 0.216 142 G HA3 -0.251 3.409 3.960 -0.499 0.000 0.216 142 G C 1.215 176.138 174.900 0.038 0.000 1.162 142 G CA 1.136 46.243 45.100 0.011 0.000 0.777 142 G HN 0.644 nan 8.290 nan 0.000 0.539 143 H N 1.174 120.250 119.070 0.011 0.000 2.289 143 H HA -0.022 4.234 4.556 -0.499 0.000 0.296 143 H C 2.685 178.081 175.328 0.114 0.000 1.091 143 H CA 2.447 58.550 56.048 0.092 0.000 1.274 143 H CB -0.283 29.533 29.762 0.090 0.000 1.364 143 H HN 0.286 nan 8.280 nan 0.000 0.490 144 A N 0.583 123.455 122.820 0.085 0.000 1.902 144 A HA -0.134 3.887 4.320 -0.499 0.000 0.217 144 A C 2.448 179.971 177.584 -0.101 0.000 1.181 144 A CA 1.654 53.673 52.037 -0.030 0.000 0.623 144 A CB -0.993 17.966 19.000 -0.069 0.000 0.818 144 A HN 0.522 nan 8.150 nan 0.000 0.443 145 L N -0.895 120.266 121.223 -0.104 0.000 2.017 145 L HA -0.105 3.935 4.340 -0.499 0.000 0.208 145 L C 2.233 179.053 176.870 -0.083 0.000 1.073 145 L CA 2.153 56.933 54.840 -0.100 0.000 0.745 145 L CB -0.636 41.381 42.059 -0.069 0.000 0.894 145 L HN 0.328 nan 8.230 nan 0.000 0.432 146 L N -0.942 120.217 121.223 -0.107 0.000 2.027 146 L HA -0.173 3.868 4.340 -0.499 0.000 0.206 146 L C 2.450 179.205 176.870 -0.192 0.000 1.074 146 L CA 1.843 56.588 54.840 -0.158 0.000 0.745 146 L CB -0.756 41.175 42.059 -0.213 0.000 0.898 146 L HN 0.398 nan 8.230 nan 0.000 0.433 147 H N -1.476 117.500 119.070 -0.157 0.000 2.387 147 H HA -0.145 4.111 4.556 -0.499 0.000 0.299 147 H C 2.049 177.360 175.328 -0.029 0.000 1.099 147 H CA 2.083 58.071 56.048 -0.100 0.000 1.315 147 H CB -0.257 29.360 29.762 -0.242 0.000 1.380 147 H HN 0.332 nan 8.280 nan 0.000 0.513 148 T N 0.419 114.990 114.554 0.029 0.000 2.746 148 T HA -0.108 3.943 4.350 -0.499 0.000 0.267 148 T C 2.106 176.803 174.700 -0.005 0.000 1.039 148 T CA 1.022 63.125 62.100 0.004 0.000 1.142 148 T CB -0.223 68.624 68.868 -0.036 0.000 0.866 148 T HN 0.210 nan 8.240 nan 0.000 0.444 149 L N -0.422 120.792 121.223 -0.015 0.000 2.093 149 L HA -0.061 3.980 4.340 -0.499 0.000 0.208 149 L C 2.367 179.230 176.870 -0.011 0.000 1.085 149 L CA 1.293 56.119 54.840 -0.022 0.000 0.755 149 L CB -0.511 41.531 42.059 -0.028 0.000 0.904 149 L HN 0.262 nan 8.230 nan 0.000 0.435 150 Y N 1.008 121.238 120.300 -0.117 0.000 2.200 150 Y HA -0.281 3.970 4.550 -0.499 0.000 0.290 150 Y C 2.655 178.511 175.900 -0.073 0.000 1.137 150 Y CA 1.567 59.591 58.100 -0.127 0.000 1.163 150 Y CB -0.290 38.067 38.460 -0.172 0.000 0.988 150 Y HN 0.173 nan 8.280 nan 0.000 0.518 151 Q N -0.461 119.293 119.800 -0.076 0.000 2.096 151 Q HA -0.262 3.778 4.340 -0.499 0.000 0.204 151 Q C 2.204 178.097 176.000 -0.178 0.000 0.982 151 Q CA 1.760 57.485 55.803 -0.130 0.000 0.850 151 Q CB -0.209 28.521 28.738 -0.012 0.000 0.901 151 Q HN 0.478 nan 8.270 nan 0.000 0.422 152 Q N 0.291 120.015 119.800 -0.127 0.000 2.124 152 Q HA -0.111 3.930 4.340 -0.499 0.000 0.202 152 Q C 1.653 177.550 176.000 -0.172 0.000 0.977 152 Q CA 1.021 56.750 55.803 -0.123 0.000 0.850 152 Q CB -0.309 28.382 28.738 -0.077 0.000 0.901 152 Q HN 0.446 nan 8.270 nan 0.000 0.429 153 N N 0.242 118.814 118.700 -0.212 0.000 2.216 153 N HA -0.044 4.396 4.740 -0.499 0.000 0.183 153 N C 2.004 177.332 175.510 -0.302 0.000 1.017 153 N CA 0.573 53.484 53.050 -0.231 0.000 0.861 153 N CB 0.006 38.372 38.487 -0.201 0.000 0.986 153 N HN 0.235 nan 8.380 nan 0.000 0.428 154 L N 1.358 122.327 121.223 -0.423 0.000 1.994 154 L HA -0.165 3.876 4.340 -0.499 0.000 0.208 154 L C 2.566 179.222 176.870 -0.357 0.000 1.071 154 L CA 1.268 55.888 54.840 -0.367 0.000 0.745 154 L CB -0.450 41.387 42.059 -0.370 0.000 0.892 154 L HN 0.136 nan 8.230 nan 0.000 0.431 155 K N 0.768 120.979 120.400 -0.314 0.000 2.152 155 K HA -0.184 3.836 4.320 -0.499 0.000 0.206 155 K C 1.438 177.763 176.600 -0.460 0.000 1.048 155 K CA 1.916 58.000 56.287 -0.339 0.000 0.933 155 K CB -0.074 32.306 32.500 -0.201 0.000 0.721 155 K HN 0.431 nan 8.250 nan 0.000 0.447 156 N N -0.388 118.114 118.700 -0.329 0.000 2.412 156 N HA -0.018 4.422 4.740 -0.499 0.000 0.184 156 N C -0.732 174.682 175.510 -0.160 0.000 1.101 156 N CA 0.145 53.057 53.050 -0.229 0.000 0.881 156 N CB 0.324 38.742 38.487 -0.114 0.000 0.969 156 N HN 0.210 nan 8.380 nan 0.000 0.459 157 H N -1.171 117.856 119.070 -0.073 0.000 2.886 157 H HA -0.127 4.130 4.556 -0.499 0.000 0.294 157 H C -0.514 174.780 175.328 -0.057 0.000 1.246 157 H CA 0.693 56.704 56.048 -0.061 0.000 1.142 157 H CB -2.618 27.121 29.762 -0.038 0.000 1.358 157 H HN 0.166 nan 8.280 nan 0.000 0.406 158 T N 1.357 115.905 114.554 -0.010 0.000 2.946 158 T HA 0.066 4.116 4.350 -0.499 0.000 0.312 158 T C 1.043 175.731 174.700 -0.020 0.000 1.066 158 T CA 0.611 62.698 62.100 -0.022 0.000 1.138 158 T CB 0.687 69.514 68.868 -0.068 0.000 1.014 158 T HN 0.241 nan 8.240 nan 0.000 0.544 159 T N 4.541 119.089 114.554 -0.011 0.000 2.723 159 T HA 0.380 4.431 4.350 -0.499 0.000 0.297 159 T C 0.285 174.911 174.700 -0.123 0.000 0.925 159 T CA -0.188 61.882 62.100 -0.050 0.000 1.030 159 T CB -0.286 68.629 68.868 0.078 0.000 0.905 159 T HN 0.348 nan 8.240 nan 0.000 0.502 160 I N 3.859 124.302 120.570 -0.212 0.000 2.378 160 I HA 0.366 4.237 4.170 -0.499 0.000 0.291 160 I C -0.648 175.274 176.117 -0.325 0.000 0.992 160 I CA -0.803 60.401 61.300 -0.161 0.000 1.154 160 I CB 1.416 39.382 38.000 -0.057 0.000 1.315 160 I HN 0.549 nan 8.210 nan 0.000 0.448 161 F N 4.584 124.446 119.950 -0.147 0.000 2.329 161 F HA 0.224 4.451 4.527 -0.499 0.000 0.362 161 F C 0.956 176.839 175.800 0.138 0.000 1.113 161 F CA -0.309 57.599 58.000 -0.154 0.000 1.212 161 F CB 1.051 39.627 39.000 -0.706 0.000 1.509 161 F HN 0.359 nan 8.300 nan 0.000 0.546 162 S N 2.453 118.362 115.700 0.348 0.000 2.523 162 S HA 0.206 4.377 4.470 -0.499 0.000 0.275 162 S C 0.381 175.247 174.600 0.443 0.000 1.281 162 S CA -0.158 58.241 58.200 0.332 0.000 1.050 162 S CB 0.212 63.581 63.200 0.281 0.000 0.937 162 S HN 0.755 nan 8.310 nan 0.000 0.492 163 E N 1.760 122.154 120.200 0.325 0.000 2.358 163 E HA -0.181 3.870 4.350 -0.499 0.000 0.246 163 E C -1.622 175.068 176.600 0.150 0.000 1.127 163 E CA 0.580 57.108 56.400 0.213 0.000 0.726 163 E CB -1.330 28.476 29.700 0.177 0.000 1.272 163 E HN 0.611 nan 8.360 nan 0.000 0.390 164 W N 0.527 121.885 121.300 0.097 0.000 2.573 164 W HA 0.463 4.823 4.660 -0.499 0.000 0.326 164 W C -0.044 176.516 176.519 0.068 0.000 1.049 164 W CA -0.638 56.765 57.345 0.098 0.000 1.220 164 W CB 0.730 30.249 29.460 0.097 0.000 1.373 164 W HN 0.165 nan 8.180 nan 0.000 0.507 165 Y N 3.101 123.484 120.300 0.139 0.000 2.353 165 Y HA 0.629 4.880 4.550 -0.499 0.000 0.340 165 Y C 0.225 176.185 175.900 0.100 0.000 0.972 165 Y CA -1.067 57.073 58.100 0.067 0.000 1.157 165 Y CB 0.461 38.910 38.460 -0.020 0.000 1.157 165 Y HN 0.506 nan 8.280 nan 0.000 0.495 166 A N 7.052 129.634 122.820 -0.398 0.000 2.454 166 A HA 0.305 4.325 4.320 -0.499 0.000 0.260 166 A C 0.190 177.617 177.584 -0.262 0.000 1.106 166 A CA -0.239 51.664 52.037 -0.223 0.000 0.780 166 A CB 0.218 19.092 19.000 -0.210 0.000 1.044 166 A HN 1.087 nan 8.150 nan 0.000 0.498 167 L N 1.347 122.591 121.223 0.035 0.000 2.116 167 L HA 0.236 4.277 4.340 -0.499 0.000 0.200 167 L C 0.241 177.164 176.870 0.087 0.000 1.084 167 L CA 0.686 55.611 54.840 0.143 0.000 0.766 167 L CB 0.018 42.189 42.059 0.186 0.000 0.930 167 L HN 0.604 nan 8.230 nan 0.000 0.453 168 D N -1.350 119.093 120.400 0.071 0.000 2.654 168 D HA 0.366 4.706 4.640 -0.499 0.000 0.231 168 D C -1.052 175.276 176.300 0.048 0.000 1.239 168 D CA -0.491 53.541 54.000 0.053 0.000 0.790 168 D CB 2.585 43.419 40.800 0.057 0.000 1.480 168 D HN -0.135 nan 8.370 nan 0.000 0.442 169 L N 0.715 121.959 121.223 0.035 0.000 2.467 169 L HA 0.291 4.332 4.340 -0.499 0.000 0.270 169 L C 0.143 177.031 176.870 0.030 0.000 1.205 169 L CA -0.387 54.478 54.840 0.042 0.000 0.828 169 L CB 0.543 42.621 42.059 0.032 0.000 1.101 169 L HN 0.024 nan 8.230 nan 0.000 0.479 170 V N 2.570 122.508 119.914 0.041 0.000 2.435 170 V HA 0.369 4.190 4.120 -0.499 0.000 0.290 170 V C 0.004 176.103 176.094 0.009 0.000 1.030 170 V CA -0.791 61.497 62.300 -0.019 0.000 0.881 170 V CB 1.635 33.383 31.823 -0.124 0.000 0.983 170 V HN 0.638 nan 8.190 nan 0.000 0.445 171 K N 3.293 123.684 120.400 -0.015 0.000 2.259 171 K HA 0.470 4.491 4.320 -0.499 0.000 0.252 171 K C -0.426 176.170 176.600 -0.006 0.000 0.936 171 K CA -0.753 55.534 56.287 -0.000 0.000 0.810 171 K CB 1.884 34.380 32.500 -0.006 0.000 1.143 171 K HN 0.864 nan 8.250 nan 0.000 0.427 172 N N 0.702 119.408 118.700 0.010 0.000 2.405 172 N HA -0.054 4.387 4.740 -0.499 0.000 0.269 172 N C 0.728 176.237 175.510 -0.001 0.000 1.249 172 N CA -0.189 52.865 53.050 0.007 0.000 0.974 172 N CB 0.357 38.859 38.487 0.024 0.000 1.204 172 N HN 0.612 nan 8.380 nan 0.000 0.565 173 Q N -1.498 118.301 119.800 -0.002 0.000 2.364 173 Q HA -0.106 3.935 4.340 -0.499 0.000 0.209 173 Q C -0.328 175.669 176.000 -0.005 0.000 0.977 173 Q CA 1.455 57.255 55.803 -0.005 0.000 0.885 173 Q CB -0.271 28.464 28.738 -0.004 0.000 0.941 173 Q HN 0.545 nan 8.270 nan 0.000 0.464 174 D N 0.240 120.640 120.400 -0.001 0.000 2.340 174 D HA 0.081 4.421 4.640 -0.499 0.000 0.220 174 D C 0.954 177.250 176.300 -0.007 0.000 1.039 174 D CA 0.927 54.925 54.000 -0.003 0.000 0.866 174 D CB 0.638 41.438 40.800 0.001 0.000 0.913 174 D HN 0.561 nan 8.370 nan 0.000 0.523 175 G N 0.764 109.560 108.800 -0.007 0.000 2.176 175 G HA2 -0.240 3.421 3.960 -0.499 0.000 0.253 175 G HA3 -0.240 3.421 3.960 -0.499 0.000 0.253 175 G C 0.560 175.456 174.900 -0.007 0.000 0.979 175 G CA 0.178 45.271 45.100 -0.011 0.000 0.641 175 G HN 0.612 nan 8.290 nan 0.000 0.530 176 A N -0.175 122.646 122.820 0.002 0.000 2.371 176 A HA 0.689 4.709 4.320 -0.499 0.000 0.257 176 A C 0.647 178.246 177.584 0.025 0.000 1.089 176 A CA 0.208 52.252 52.037 0.011 0.000 0.794 176 A CB 1.022 20.035 19.000 0.022 0.000 1.029 176 A HN 1.121 nan 8.150 nan 0.000 0.488 177 V N 2.678 122.611 119.914 0.033 0.000 2.488 177 V HA 0.262 4.083 4.120 -0.499 0.000 0.277 177 V C 0.820 176.971 176.094 0.094 0.000 1.046 177 V CA 0.489 62.823 62.300 0.056 0.000 0.986 177 V CB 1.158 33.014 31.823 0.054 0.000 0.989 177 V HN 0.985 nan 8.190 nan 0.000 0.475 178 V N 2.003 121.990 119.914 0.122 0.000 2.988 178 V HA 0.878 4.699 4.120 -0.499 0.000 0.356 178 V C 0.505 176.753 176.094 0.256 0.000 1.380 178 V CA 0.391 62.792 62.300 0.169 0.000 1.184 178 V CB -0.411 31.512 31.823 0.168 0.000 1.204 178 V HN 1.276 nan 8.190 nan 0.000 0.530 179 G N -0.319 108.620 108.800 0.231 0.000 2.298 179 G HA2 0.298 3.959 3.960 -0.499 0.000 0.309 179 G HA3 0.298 3.959 3.960 -0.499 0.000 0.309 179 G C -0.602 174.464 174.900 0.276 0.000 1.279 179 G CA 0.305 45.572 45.100 0.278 0.000 1.042 179 G HN 1.779 nan 8.290 nan 0.000 0.480 180 C N -2.008 117.492 119.300 0.333 0.000 3.318 180 C HA 0.974 5.135 4.460 -0.499 0.000 0.322 180 C C 0.360 175.566 174.990 0.361 0.000 1.398 180 C CA 0.285 59.450 59.018 0.245 0.000 1.339 180 C CB 1.178 28.988 27.740 0.115 0.000 1.668 180 C HN 2.020 nan 8.230 nan 0.000 0.462 181 T N 0.028 114.733 114.554 0.250 0.000 2.928 181 T HA 0.841 4.892 4.350 -0.499 0.000 0.284 181 T C -0.169 174.707 174.700 0.293 0.000 1.008 181 T CA 0.188 62.461 62.100 0.288 0.000 1.057 181 T CB 1.456 70.431 68.868 0.177 0.000 1.018 181 T HN 2.257 nan 8.240 nan 0.000 0.493 182 A N 1.516 124.577 122.820 0.402 0.000 2.572 182 A HA 0.737 4.758 4.320 -0.499 0.000 0.295 182 A C -1.474 176.386 177.584 0.461 0.000 1.072 182 A CA -0.971 51.324 52.037 0.430 0.000 0.691 182 A CB 1.666 20.981 19.000 0.525 0.000 1.291 182 A HN 0.991 nan 8.150 nan 0.000 0.404 183 L N 1.673 123.107 121.223 0.351 0.000 2.305 183 L HA 0.623 4.664 4.340 -0.499 0.000 0.284 183 L C -0.198 176.598 176.870 -0.125 0.000 1.013 183 L CA -0.384 54.537 54.840 0.136 0.000 0.819 183 L CB 1.089 43.212 42.059 0.106 0.000 1.227 183 L HN 0.883 nan 8.230 nan 0.000 0.417 184 C N 6.424 125.380 119.300 -0.573 0.000 2.540 184 C HA 0.282 4.443 4.460 -0.499 0.000 0.377 184 C C 1.848 176.463 174.990 -0.625 0.000 1.274 184 C CA -0.475 57.793 59.018 -1.249 0.000 1.718 184 C CB -1.408 25.317 27.740 -1.690 0.000 2.391 184 C HN 0.985 nan 8.230 nan 0.000 0.565 185 I N 3.434 123.684 120.570 -0.533 0.000 2.226 185 I HA -0.157 3.714 4.170 -0.499 0.000 0.245 185 I C 2.561 178.376 176.117 -0.503 0.000 1.100 185 I CA 1.703 62.687 61.300 -0.527 0.000 1.374 185 I CB -0.435 37.167 38.000 -0.663 0.000 1.057 185 I HN 0.834 nan 8.210 nan 0.000 0.413 186 E N 0.751 120.770 120.200 -0.302 0.000 2.058 186 E HA -0.266 3.785 4.350 -0.499 0.000 0.194 186 E C 2.068 178.651 176.600 -0.030 0.000 0.997 186 E CA 2.340 58.746 56.400 0.011 0.000 0.801 186 E CB 0.076 29.832 29.700 0.092 0.000 0.746 186 E HN 0.589 nan 8.360 nan 0.000 0.450 187 T N -4.605 109.877 114.554 -0.119 0.000 2.990 187 T HA 0.323 4.374 4.350 -0.499 0.000 0.249 187 T C 1.470 176.120 174.700 -0.084 0.000 1.039 187 T CA 0.729 62.787 62.100 -0.069 0.000 1.036 187 T CB 0.881 69.721 68.868 -0.047 0.000 0.994 187 T HN 0.358 nan 8.240 nan 0.000 0.489 188 G N 1.336 110.047 108.800 -0.147 0.000 2.195 188 G HA2 -0.256 3.404 3.960 -0.499 0.000 0.246 188 G HA3 -0.256 3.404 3.960 -0.499 0.000 0.246 188 G C -0.112 174.737 174.900 -0.085 0.000 0.984 188 G CA 0.194 45.226 45.100 -0.113 0.000 0.633 188 G HN 0.837 nan 8.290 nan 0.000 0.525 189 E N 0.454 120.600 120.200 -0.091 0.000 2.413 189 E HA 0.385 4.436 4.350 -0.499 0.000 0.263 189 E C -0.036 176.573 176.600 0.015 0.000 1.015 189 E CA -0.095 56.295 56.400 -0.016 0.000 0.916 189 E CB 0.665 30.381 29.700 0.028 0.000 0.947 189 E HN 0.170 nan 8.360 nan 0.000 0.440 190 V N 4.992 124.958 119.914 0.088 0.000 2.513 190 V HA 0.404 4.225 4.120 -0.499 0.000 0.299 190 V C -0.162 176.051 176.094 0.197 0.000 1.035 190 V CA -0.622 61.771 62.300 0.154 0.000 0.889 190 V CB 1.745 33.636 31.823 0.114 0.000 0.988 190 V HN 0.489 nan 8.190 nan 0.000 0.440 191 V N 3.635 123.715 119.914 0.276 0.000 3.040 191 V HA 0.449 4.269 4.120 -0.499 0.000 0.312 191 V C -1.458 174.731 176.094 0.158 0.000 1.115 191 V CA -0.881 61.502 62.300 0.137 0.000 0.998 191 V CB 2.493 34.309 31.823 -0.011 0.000 1.042 191 V HN 0.741 nan 8.190 nan 0.000 0.433 192 Y N 2.907 123.150 120.300 -0.095 0.000 2.353 192 Y HA 0.594 4.845 4.550 -0.499 0.000 0.340 192 Y C -0.938 174.861 175.900 -0.168 0.000 0.972 192 Y CA -2.012 56.064 58.100 -0.040 0.000 1.157 192 Y CB 0.836 39.287 38.460 -0.016 0.000 1.157 192 Y HN 0.452 nan 8.280 nan 0.000 0.495 193 F N 6.402 126.318 119.950 -0.056 0.000 2.368 193 F HA 0.322 4.550 4.527 -0.498 0.000 0.362 193 F C 0.509 176.066 175.800 -0.406 0.000 1.137 193 F CA -0.433 57.419 58.000 -0.246 0.000 1.161 193 F CB 0.654 39.531 39.000 -0.206 0.000 1.265 193 F HN 0.358 nan 8.300 nan 0.000 0.530 194 K N 3.229 123.306 120.400 -0.539 0.000 2.234 194 K HA 0.764 4.784 4.320 -0.499 0.000 0.282 194 K C -0.851 175.707 176.600 -0.069 0.000 1.039 194 K CA -0.268 55.718 56.287 -0.501 0.000 0.928 194 K CB 0.748 32.887 32.500 -0.603 0.000 1.039 194 K HN 0.717 nan 8.250 nan 0.000 0.470 195 A N 3.954 126.789 122.820 0.026 0.000 2.594 195 A HA 0.367 4.387 4.320 -0.499 0.000 0.295 195 A C -0.192 177.436 177.584 0.074 0.000 1.071 195 A CA -0.808 51.270 52.037 0.070 0.000 0.685 195 A CB 1.559 20.604 19.000 0.075 0.000 1.285 195 A HN 0.924 nan 8.150 nan 0.000 0.405 196 R N -0.003 120.534 120.500 0.062 0.000 2.200 196 R HA 0.356 4.397 4.340 -0.499 0.000 0.208 196 R C 0.469 176.834 176.300 0.107 0.000 1.033 196 R CA 1.304 57.448 56.100 0.074 0.000 1.000 196 R CB 0.402 30.733 30.300 0.052 0.000 0.906 196 R HN 0.817 nan 8.270 nan 0.000 0.462 197 A N 0.330 123.182 122.820 0.054 0.000 2.385 197 A HA 0.432 4.453 4.320 -0.499 0.000 0.290 197 A C -0.934 176.660 177.584 0.017 0.000 1.094 197 A CA -0.557 51.497 52.037 0.028 0.000 0.729 197 A CB 1.510 20.279 19.000 -0.387 0.000 1.194 197 A HN -0.020 nan 8.150 nan 0.000 0.442 198 T N 2.329 116.978 114.554 0.158 0.000 2.756 198 T HA 0.482 4.533 4.350 -0.499 0.000 0.290 198 T C -0.370 174.413 174.700 0.137 0.000 0.985 198 T CA -0.214 61.941 62.100 0.092 0.000 0.955 198 T CB 0.903 69.830 68.868 0.099 0.000 0.930 198 T HN 0.457 nan 8.240 nan 0.000 0.451 199 V N 5.723 125.655 119.914 0.030 0.000 2.311 199 V HA 0.334 4.155 4.120 -0.499 0.000 0.275 199 V C 0.183 176.286 176.094 0.015 0.000 1.022 199 V CA -0.827 61.505 62.300 0.054 0.000 0.830 199 V CB 0.804 32.606 31.823 -0.035 0.000 1.012 199 V HN 0.780 nan 8.190 nan 0.000 0.452 200 L N 4.399 125.644 121.223 0.037 0.000 2.360 200 L HA 0.551 4.592 4.340 -0.499 0.000 0.276 200 L C 0.722 177.590 176.870 -0.004 0.000 1.121 200 L CA 0.215 55.054 54.840 -0.003 0.000 0.845 200 L CB 0.993 43.051 42.059 -0.003 0.000 1.143 200 L HN 0.778 nan 8.230 nan 0.000 0.452 201 A N 1.211 124.018 122.820 -0.023 0.000 3.292 201 A HA 0.254 4.275 4.320 -0.499 0.000 0.231 201 A C 0.669 178.240 177.584 -0.022 0.000 0.952 201 A CA -0.168 51.862 52.037 -0.012 0.000 1.044 201 A CB -0.051 18.943 19.000 -0.010 0.000 1.236 201 A HN 0.722 nan 8.150 nan 0.000 0.525 202 T N -2.804 111.733 114.554 -0.030 0.000 3.144 202 T HA 0.468 4.519 4.350 -0.499 0.000 0.249 202 T C 1.223 175.910 174.700 -0.022 0.000 1.089 202 T CA 0.934 63.013 62.100 -0.036 0.000 0.989 202 T CB -0.206 68.630 68.868 -0.052 0.000 0.992 202 T HN 2.102 nan 8.240 nan 0.000 0.540 203 G N 0.431 109.221 108.800 -0.016 0.000 2.645 203 G HA2 0.148 3.809 3.960 -0.499 0.000 0.246 203 G HA3 0.148 3.809 3.960 -0.499 0.000 0.246 203 G C 0.254 175.117 174.900 -0.061 0.000 1.322 203 G CA -0.497 44.592 45.100 -0.018 0.000 0.898 203 G HN 0.913 nan 8.290 nan 0.000 0.573 204 G N -1.939 106.812 108.800 -0.082 0.000 2.509 204 G HA2 0.715 4.376 3.960 -0.499 0.000 0.269 204 G HA3 0.715 4.376 3.960 -0.499 0.000 0.269 204 G C 0.581 175.472 174.900 -0.014 0.000 1.416 204 G CA 0.946 45.975 45.100 -0.120 0.000 1.052 204 G HN 2.231 nan 8.290 nan 0.000 0.542 205 A N -1.521 121.369 122.820 0.116 0.000 2.816 205 A HA 0.533 4.553 4.320 -0.499 0.000 0.208 205 A C 1.501 179.206 177.584 0.201 0.000 0.896 205 A CA 0.894 53.044 52.037 0.188 0.000 1.183 205 A CB -0.050 19.095 19.000 0.242 0.000 1.249 205 A HN 1.312 nan 8.150 nan 0.000 0.484 206 G N 0.517 109.388 108.800 0.118 0.000 2.499 206 G HA2 -0.227 3.434 3.960 -0.499 0.000 0.221 206 G HA3 -0.227 3.434 3.960 -0.499 0.000 0.221 206 G C 1.310 176.184 174.900 -0.042 0.000 1.109 206 G CA 0.696 45.791 45.100 -0.009 0.000 0.749 206 G HN 0.427 nan 8.290 nan 0.000 0.568 207 R N 0.537 121.015 120.500 -0.036 0.000 2.339 207 R HA 0.036 4.077 4.340 -0.499 0.000 0.199 207 R C 2.381 178.648 176.300 -0.054 0.000 1.018 207 R CA 0.550 56.632 56.100 -0.030 0.000 1.036 207 R CB -0.564 29.731 30.300 -0.008 0.000 0.899 207 R HN 0.772 nan 8.270 nan 0.000 0.473 208 I N -3.131 117.369 120.570 -0.117 0.000 2.756 208 I HA -0.085 3.786 4.170 -0.499 0.000 0.262 208 I C 0.239 176.135 176.117 -0.368 0.000 1.225 208 I CA 0.693 61.846 61.300 -0.245 0.000 1.472 208 I CB -0.230 37.565 38.000 -0.341 0.000 1.094 208 I HN -0.190 nan 8.210 nan 0.000 0.454 209 Y N 1.047 121.217 120.300 -0.217 0.000 2.392 209 Y HA 0.242 4.495 4.550 -0.496 0.000 0.323 209 Y C 1.624 177.486 175.900 -0.063 0.000 1.291 209 Y CA -0.242 57.774 58.100 -0.139 0.000 1.345 209 Y CB 0.784 39.142 38.460 -0.169 0.000 1.320 209 Y HN -0.104 nan 8.280 nan 0.000 0.518 210 Q N 0.171 120.069 119.800 0.164 0.000 2.269 210 Q HA 0.020 4.061 4.340 -0.499 0.000 0.201 210 Q C -0.197 175.864 176.000 0.101 0.000 0.946 210 Q CA 0.543 56.406 55.803 0.100 0.000 0.877 210 Q CB 0.393 29.192 28.738 0.101 0.000 0.963 210 Q HN 0.472 nan 8.270 nan 0.000 0.472 211 S N -0.474 115.303 115.700 0.129 0.000 2.614 211 S HA 0.502 4.673 4.470 -0.499 0.000 0.288 211 S C -1.100 173.527 174.600 0.046 0.000 1.137 211 S CA -0.523 57.724 58.200 0.078 0.000 0.992 211 S CB 1.919 65.177 63.200 0.096 0.000 1.026 211 S HN 0.156 nan 8.310 nan 0.000 0.486 212 T N 1.300 115.850 114.554 -0.006 0.000 2.868 212 T HA 0.478 4.528 4.350 -0.499 0.000 0.306 212 T C 1.119 175.795 174.700 -0.040 0.000 1.224 212 T CA 0.141 62.217 62.100 -0.040 0.000 1.012 212 T CB 1.408 70.237 68.868 -0.066 0.000 1.221 212 T HN 0.790 nan 8.240 nan 0.000 0.499 213 T N 0.527 115.087 114.554 0.010 0.000 3.085 213 T HA 0.177 4.227 4.350 -0.499 0.000 0.263 213 T C 0.642 175.345 174.700 0.005 0.000 1.127 213 T CA 0.190 62.316 62.100 0.045 0.000 1.103 213 T CB -0.645 68.350 68.868 0.211 0.000 0.921 213 T HN 0.598 nan 8.240 nan 0.000 0.510 214 N N 1.681 120.300 118.700 -0.134 0.000 2.518 214 N HA 0.468 4.909 4.740 -0.499 0.000 0.266 214 N C 0.255 175.576 175.510 -0.315 0.000 1.196 214 N CA -0.465 52.340 53.050 -0.409 0.000 0.947 214 N CB 0.705 38.967 38.487 -0.376 0.000 1.098 214 N HN 0.440 nan 8.380 nan 0.000 0.450 215 A N 1.533 124.155 122.820 -0.330 0.000 2.521 215 A HA -0.094 3.926 4.320 -0.499 0.000 0.237 215 A C 1.037 178.550 177.584 -0.118 0.000 1.087 215 A CA 0.095 52.068 52.037 -0.107 0.000 0.777 215 A CB 0.088 19.133 19.000 0.075 0.000 1.035 215 A HN 0.797 nan 8.150 nan 0.000 0.510 216 H N 0.874 119.940 119.070 -0.007 0.000 2.489 216 H HA -0.131 4.126 4.556 -0.498 0.000 0.293 216 H C 1.693 177.019 175.328 -0.004 0.000 1.066 216 H CA 2.084 58.128 56.048 -0.007 0.000 1.305 216 H CB -0.122 29.646 29.762 0.009 0.000 1.386 216 H HN 0.733 nan 8.280 nan 0.000 0.551 217 I N -1.470 119.168 120.570 0.114 0.000 3.564 217 I HA 0.042 3.913 4.170 -0.499 0.000 0.294 217 I C -0.256 175.886 176.117 0.043 0.000 1.289 217 I CA 0.152 61.504 61.300 0.086 0.000 1.325 217 I CB -0.107 37.950 38.000 0.094 0.000 1.039 217 I HN -0.182 nan 8.210 nan 0.000 0.474 218 N N 2.406 121.100 118.700 -0.010 0.000 2.807 218 N HA 0.123 4.564 4.740 -0.499 0.000 0.259 218 N C 0.708 176.220 175.510 0.003 0.000 1.149 218 N CA 0.311 53.339 53.050 -0.037 0.000 1.042 218 N CB 0.560 38.965 38.487 -0.137 0.000 1.367 218 N HN 0.394 nan 8.380 nan 0.000 0.516 219 T N -2.794 111.779 114.554 0.031 0.000 3.182 219 T HA 0.264 4.315 4.350 -0.499 0.000 0.277 219 T C 1.123 175.854 174.700 0.052 0.000 1.013 219 T CA -0.161 61.966 62.100 0.045 0.000 0.900 219 T CB -0.080 68.825 68.868 0.062 0.000 1.098 219 T HN 0.372 nan 8.240 nan 0.000 0.543 220 G N 2.183 111.010 108.800 0.045 0.000 2.305 220 G HA2 -0.269 3.392 3.960 -0.499 0.000 0.287 220 G HA3 -0.269 3.392 3.960 -0.499 0.000 0.287 220 G C 0.453 175.372 174.900 0.031 0.000 1.036 220 G CA 0.345 45.469 45.100 0.040 0.000 0.887 220 G HN 0.505 nan 8.290 nan 0.000 0.505 221 D N 0.046 120.460 120.400 0.023 0.000 2.182 221 D HA -0.088 4.253 4.640 -0.499 0.000 0.201 221 D C 2.436 178.728 176.300 -0.014 0.000 0.986 221 D CA 1.707 55.712 54.000 0.008 0.000 0.847 221 D CB -0.636 40.135 40.800 -0.047 0.000 0.942 221 D HN 0.574 nan 8.370 nan 0.000 0.467 222 G N 0.421 109.206 108.800 -0.024 0.000 2.408 222 G HA2 -0.163 3.497 3.960 -0.499 0.000 0.217 222 G HA3 -0.163 3.497 3.960 -0.499 0.000 0.217 222 G C 1.843 176.738 174.900 -0.009 0.000 1.150 222 G CA 0.558 45.642 45.100 -0.025 0.000 0.776 222 G HN 0.245 nan 8.290 nan 0.000 0.542 223 V N 1.406 121.320 119.914 -0.000 0.000 2.307 223 V HA -0.032 3.788 4.120 -0.499 0.000 0.245 223 V C 3.100 179.215 176.094 0.034 0.000 1.045 223 V CA 2.009 64.317 62.300 0.012 0.000 1.024 223 V CB -0.949 30.884 31.823 0.017 0.000 0.651 223 V HN 0.417 nan 8.190 nan 0.000 0.449 224 G N -0.988 107.835 108.800 0.039 0.000 2.408 224 G HA2 -0.222 3.439 3.960 -0.499 0.000 0.217 224 G HA3 -0.222 3.439 3.960 -0.499 0.000 0.217 224 G C 1.645 176.574 174.900 0.048 0.000 1.150 224 G CA 0.837 45.970 45.100 0.054 0.000 0.776 224 G HN 0.396 nan 8.290 nan 0.000 0.542 225 M N 0.744 120.362 119.600 0.031 0.000 2.117 225 M HA 0.007 4.187 4.480 -0.499 0.000 0.262 225 M C 3.028 179.342 176.300 0.023 0.000 1.065 225 M CA 1.409 56.724 55.300 0.024 0.000 1.114 225 M CB -0.159 32.442 32.600 0.002 0.000 1.361 225 M HN 0.321 nan 8.290 nan 0.000 0.408 226 A N 0.465 123.297 122.820 0.019 0.000 1.877 226 A HA -0.138 3.882 4.320 -0.499 0.000 0.216 226 A C 2.052 179.654 177.584 0.030 0.000 1.186 226 A CA 1.441 53.488 52.037 0.016 0.000 0.620 226 A CB -0.882 18.124 19.000 0.009 0.000 0.822 226 A HN 0.442 nan 8.150 nan 0.000 0.443 227 I N -0.907 119.697 120.570 0.057 0.000 2.163 227 I HA -0.275 3.595 4.170 -0.499 0.000 0.243 227 I C 2.756 178.905 176.117 0.053 0.000 1.085 227 I CA 1.432 62.784 61.300 0.087 0.000 1.347 227 I CB -0.272 37.819 38.000 0.152 0.000 1.044 227 I HN 0.285 nan 8.210 nan 0.000 0.408 228 R N 0.405 120.932 120.500 0.045 0.000 2.148 228 R HA -0.046 3.994 4.340 -0.499 0.000 0.227 228 R C 2.065 178.374 176.300 0.015 0.000 1.103 228 R CA 1.140 57.258 56.100 0.030 0.000 0.983 228 R CB -0.235 30.086 30.300 0.035 0.000 0.874 228 R HN 0.333 nan 8.270 nan 0.000 0.451 229 A N -0.122 122.705 122.820 0.013 0.000 2.238 229 A HA 0.203 4.223 4.320 -0.499 0.000 0.208 229 A C 1.386 178.965 177.584 -0.009 0.000 1.177 229 A CA 0.785 52.824 52.037 0.002 0.000 0.804 229 A CB -0.007 18.996 19.000 0.004 0.000 0.823 229 A HN 0.430 nan 8.150 nan 0.000 0.482 230 G N -1.661 107.133 108.800 -0.011 0.000 2.157 230 G HA2 -0.203 3.458 3.960 -0.499 0.000 0.248 230 G HA3 -0.203 3.458 3.960 -0.499 0.000 0.248 230 G C 0.161 175.040 174.900 -0.036 0.000 0.979 230 G CA 0.136 45.218 45.100 -0.029 0.000 0.650 230 G HN 0.766 nan 8.290 nan 0.000 0.529 231 V N 3.295 123.196 119.914 -0.022 0.000 2.461 231 V HA 0.432 4.253 4.120 -0.499 0.000 0.275 231 V C -1.008 175.077 176.094 -0.015 0.000 1.047 231 V CA -1.205 61.078 62.300 -0.028 0.000 0.955 231 V CB 1.348 33.155 31.823 -0.026 0.000 0.988 231 V HN 0.245 nan 8.190 nan 0.000 0.471 232 P HA 0.289 nan 4.420 nan 0.000 0.274 232 P C -0.741 176.572 177.300 0.022 0.000 1.237 232 P CA -0.015 63.078 63.100 -0.011 0.000 0.793 232 P CB 1.303 32.977 31.700 -0.044 0.000 0.977 233 V N -1.396 118.569 119.914 0.085 0.000 2.960 233 V HA 0.674 4.495 4.120 -0.499 0.000 0.315 233 V C -0.582 175.535 176.094 0.039 0.000 1.087 233 V CA -0.971 61.356 62.300 0.046 0.000 0.982 233 V CB 1.639 33.491 31.823 0.049 0.000 1.039 233 V HN 0.641 nan 8.190 nan 0.000 0.437 234 Q N 0.371 120.163 119.800 -0.015 0.000 2.394 234 Q HA 0.398 4.439 4.340 -0.499 0.000 0.273 234 Q C -0.776 175.219 176.000 -0.009 0.000 1.089 234 Q CA -0.396 55.401 55.803 -0.009 0.000 0.812 234 Q CB 1.878 30.573 28.738 -0.071 0.000 1.353 234 Q HN 0.946 nan 8.270 nan 0.000 0.438 235 D N 2.710 123.139 120.400 0.049 0.000 2.792 235 D HA -0.208 4.132 4.640 -0.499 0.000 0.231 235 D C 0.751 177.023 176.300 -0.047 0.000 1.160 235 D CA 0.763 54.787 54.000 0.040 0.000 0.697 235 D CB -0.215 40.635 40.800 0.084 0.000 1.070 235 D HN 0.652 nan 8.370 nan 0.000 0.426 236 M N -0.257 119.312 119.600 -0.051 0.000 2.446 236 M HA -0.146 4.035 4.480 -0.499 0.000 0.263 236 M C 2.067 178.354 176.300 -0.021 0.000 1.066 236 M CA 1.279 56.526 55.300 -0.088 0.000 1.087 236 M CB -0.446 32.113 32.600 -0.068 0.000 1.406 236 M HN 0.285 nan 8.290 nan 0.000 0.459 237 E N -0.596 119.607 120.200 0.006 0.000 2.482 237 E HA -0.078 3.973 4.350 -0.499 0.000 0.196 237 E C 0.249 176.956 176.600 0.178 0.000 1.047 237 E CA 0.352 56.816 56.400 0.107 0.000 0.869 237 E CB -0.157 29.487 29.700 -0.093 0.000 0.836 237 E HN 0.287 nan 8.360 nan 0.000 0.520 238 M N 1.421 121.032 119.600 0.018 0.000 2.974 238 M HA 0.185 4.366 4.480 -0.499 0.000 0.301 238 M C -1.274 174.979 176.300 -0.078 0.000 1.409 238 M CA -0.037 55.284 55.300 0.035 0.000 1.515 238 M CB -1.330 31.273 32.600 0.005 0.000 1.163 238 M HN 0.073 nan 8.290 nan 0.000 0.520 239 W N 1.975 123.350 121.300 0.126 0.000 2.314 239 W HA 0.392 4.751 4.660 -0.502 0.000 0.310 239 W C 0.591 177.128 176.519 0.029 0.000 1.075 239 W CA -0.475 56.885 57.345 0.025 0.000 1.253 239 W CB 0.862 30.315 29.460 -0.011 0.000 1.238 239 W HN 0.464 nan 8.180 nan 0.000 0.440 240 Q N 3.456 123.381 119.800 0.208 0.000 2.293 240 Q HA 0.267 4.308 4.340 -0.499 0.000 0.263 240 Q C -1.240 174.828 176.000 0.114 0.000 1.002 240 Q CA -0.074 55.861 55.803 0.220 0.000 0.910 240 Q CB 0.445 29.338 28.738 0.258 0.000 1.185 240 Q HN 0.414 nan 8.270 nan 0.000 0.401 241 F N 3.857 123.872 119.950 0.107 0.000 2.361 241 F HA 0.182 4.414 4.527 -0.492 0.000 0.364 241 F C 0.626 176.451 175.800 0.041 0.000 1.120 241 F CA -0.785 57.252 58.000 0.061 0.000 1.102 241 F CB 0.689 39.664 39.000 -0.041 0.000 1.183 241 F HN 0.591 nan 8.300 nan 0.000 0.476 242 H N 5.940 125.054 119.070 0.073 0.000 3.001 242 H HA 0.006 4.263 4.556 -0.498 0.000 0.334 242 H C -1.674 173.628 175.328 -0.043 0.000 1.034 242 H CA -0.960 55.021 56.048 -0.112 0.000 1.420 242 H CB 1.561 31.063 29.762 -0.433 0.000 1.405 242 H HN 0.340 nan 8.280 nan 0.000 0.593 243 P HA -0.082 nan 4.420 nan 0.000 0.218 243 P C 0.410 177.759 177.300 0.082 0.000 1.149 243 P CA 1.472 64.535 63.100 -0.061 0.000 0.817 243 P CB 0.141 31.737 31.700 -0.173 0.000 0.785 244 T N -2.800 111.907 114.554 0.255 0.000 3.390 244 T HA 0.620 4.671 4.350 -0.499 0.000 0.351 244 T C 0.471 175.216 174.700 0.075 0.000 1.759 244 T CA -0.858 61.331 62.100 0.148 0.000 1.561 244 T CB 0.058 68.980 68.868 0.091 0.000 1.011 244 T HN -0.014 nan 8.240 nan 0.000 0.689 245 G N 1.632 110.467 108.800 0.058 0.000 2.507 245 G HA2 0.588 4.249 3.960 -0.499 0.000 0.271 245 G HA3 0.588 4.249 3.960 -0.499 0.000 0.271 245 G C -0.057 174.840 174.900 -0.005 0.000 1.189 245 G CA -1.100 43.998 45.100 -0.003 0.000 0.859 245 G HN 0.773 nan 8.290 nan 0.000 0.542 246 I N 1.658 122.212 120.570 -0.026 0.000 2.517 246 I HA 0.166 4.037 4.170 -0.499 0.000 0.285 246 I C 1.289 177.414 176.117 0.012 0.000 1.106 246 I CA -0.181 61.103 61.300 -0.026 0.000 1.402 246 I CB 0.879 38.875 38.000 -0.008 0.000 1.399 246 I HN 0.526 nan 8.210 nan 0.000 0.535 247 A N 5.278 128.099 122.820 0.002 0.000 2.566 247 A HA 0.355 4.375 4.320 -0.499 0.000 0.245 247 A C 1.360 179.043 177.584 0.165 0.000 1.056 247 A CA 0.651 52.738 52.037 0.083 0.000 0.757 247 A CB -0.386 18.662 19.000 0.079 0.000 0.979 247 A HN 1.251 nan 8.150 nan 0.000 0.508 248 G N 0.698 109.595 108.800 0.162 0.000 2.176 248 G HA2 0.053 3.713 3.960 -0.499 0.000 0.253 248 G HA3 0.053 3.713 3.960 -0.499 0.000 0.253 248 G C 0.764 175.748 174.900 0.140 0.000 0.979 248 G CA 1.129 46.334 45.100 0.174 0.000 0.641 248 G HN 2.154 nan 8.290 nan 0.000 0.530 249 A N -1.869 121.009 122.820 0.096 0.000 2.150 249 A HA 0.662 4.683 4.320 -0.499 0.000 0.191 249 A C 2.615 180.169 177.584 -0.051 0.000 1.591 249 A CA 1.855 53.911 52.037 0.032 0.000 1.142 249 A CB -0.211 18.813 19.000 0.040 0.000 1.326 249 A HN 2.272 nan 8.150 nan 0.000 0.470 250 G N -0.636 108.148 108.800 -0.027 0.000 2.304 250 G HA2 -0.237 3.424 3.960 -0.499 0.000 0.252 250 G HA3 -0.237 3.424 3.960 -0.499 0.000 0.252 250 G C 0.459 175.307 174.900 -0.087 0.000 1.014 250 G CA 0.264 45.341 45.100 -0.039 0.000 0.619 250 G HN 1.103 nan 8.290 nan 0.000 0.525 251 V N 2.317 122.126 119.914 -0.174 0.000 2.617 251 V HA 0.309 4.129 4.120 -0.499 0.000 0.304 251 V C 1.115 177.138 176.094 -0.118 0.000 1.040 251 V CA 0.517 62.689 62.300 -0.213 0.000 1.149 251 V CB 1.138 32.703 31.823 -0.430 0.000 0.914 251 V HN 0.650 nan 8.190 nan 0.000 0.487 252 L N 7.809 128.973 121.223 -0.099 0.000 2.397 252 L HA 0.496 4.537 4.340 -0.499 0.000 0.271 252 L C -0.034 176.768 176.870 -0.115 0.000 1.148 252 L CA 0.362 55.118 54.840 -0.140 0.000 0.825 252 L CB 1.297 43.260 42.059 -0.160 0.000 1.117 252 L HN 0.569 nan 8.230 nan 0.000 0.456 253 V N 1.715 121.552 119.914 -0.129 0.000 2.448 253 V HA 0.465 4.286 4.120 -0.499 0.000 0.295 253 V C 0.287 176.331 176.094 -0.083 0.000 1.025 253 V CA -0.465 61.790 62.300 -0.076 0.000 0.859 253 V CB 0.909 32.704 31.823 -0.046 0.000 0.988 253 V HN 0.921 nan 8.190 nan 0.000 0.431 254 T N 1.969 116.503 114.554 -0.033 0.000 2.946 254 T HA 0.004 4.055 4.350 -0.499 0.000 0.311 254 T C 1.064 175.770 174.700 0.010 0.000 1.063 254 T CA 1.081 63.195 62.100 0.024 0.000 1.139 254 T CB 0.503 69.441 68.868 0.116 0.000 0.994 254 T HN 1.112 nan 8.240 nan 0.000 0.547 255 E N 2.541 122.724 120.200 -0.028 0.000 2.331 255 E HA -0.099 3.952 4.350 -0.499 0.000 0.199 255 E C 2.035 178.389 176.600 -0.411 0.000 1.008 255 E CA 1.132 57.321 56.400 -0.351 0.000 0.843 255 E CB -0.717 28.515 29.700 -0.779 0.000 0.761 255 E HN 0.938 nan 8.360 nan 0.000 0.507 256 G N 0.418 109.174 108.800 -0.073 0.000 2.475 256 G HA2 -0.337 3.324 3.960 -0.499 0.000 0.220 256 G HA3 -0.337 3.324 3.960 -0.499 0.000 0.220 256 G C 1.589 176.516 174.900 0.044 0.000 1.125 256 G CA 0.994 46.185 45.100 0.153 0.000 0.755 256 G HN 0.417 nan 8.290 nan 0.000 0.565 257 C N 0.221 119.515 119.300 -0.009 0.000 2.432 257 C HA -0.009 4.152 4.460 -0.499 0.000 0.277 257 C C 2.963 177.932 174.990 -0.036 0.000 1.249 257 C CA 0.946 59.948 59.018 -0.026 0.000 1.725 257 C CB -0.846 26.867 27.740 -0.044 0.000 2.028 257 C HN 0.502 nan 8.230 nan 0.000 0.477 258 R N 0.690 121.149 120.500 -0.069 0.000 2.090 258 R HA 0.004 4.045 4.340 -0.499 0.000 0.228 258 R C 2.517 178.800 176.300 -0.028 0.000 1.110 258 R CA 1.388 57.457 56.100 -0.053 0.000 0.973 258 R CB -0.754 29.487 30.300 -0.098 0.000 0.869 258 R HN 0.595 nan 8.270 nan 0.000 0.440 259 G N 1.536 110.306 108.800 -0.051 0.000 2.448 259 G HA2 -0.218 3.443 3.960 -0.499 0.000 0.219 259 G HA3 -0.218 3.443 3.960 -0.499 0.000 0.219 259 G C 1.173 176.123 174.900 0.083 0.000 1.127 259 G CA 0.395 45.515 45.100 0.034 0.000 0.766 259 G HN 0.213 nan 8.290 nan 0.000 0.552 260 E N 0.106 120.354 120.200 0.079 0.000 2.489 260 E HA 0.174 4.225 4.350 -0.499 0.000 0.193 260 E C 1.752 178.397 176.600 0.074 0.000 1.057 260 E CA 0.601 57.055 56.400 0.089 0.000 0.866 260 E CB 0.299 30.046 29.700 0.078 0.000 0.916 260 E HN 0.482 nan 8.360 nan 0.000 0.500 261 G N 0.689 109.542 108.800 0.088 0.000 2.205 261 G HA2 -0.183 3.477 3.960 -0.499 0.000 0.180 261 G HA3 -0.183 3.477 3.960 -0.499 0.000 0.180 261 G C 0.663 175.717 174.900 0.256 0.000 1.004 261 G CA -0.272 44.927 45.100 0.164 0.000 0.670 261 G HN 0.466 nan 8.290 nan 0.000 0.496 262 G N -0.097 108.760 108.800 0.095 0.000 2.606 262 G HA2 0.688 4.349 3.960 -0.499 0.000 0.252 262 G HA3 0.688 4.349 3.960 -0.499 0.000 0.252 262 G C -0.249 174.715 174.900 0.105 0.000 1.206 262 G CA 0.361 45.480 45.100 0.033 0.000 0.861 262 G HN 1.459 nan 8.290 nan 0.000 0.561 263 Y N -2.080 118.254 120.300 0.057 0.000 2.655 263 Y HA 0.685 4.929 4.550 -0.509 0.000 0.336 263 Y C -0.982 174.872 175.900 -0.077 0.000 1.154 263 Y CA -1.741 56.330 58.100 -0.048 0.000 1.055 263 Y CB 1.108 39.522 38.460 -0.077 0.000 1.295 263 Y HN 0.423 nan 8.280 nan 0.000 0.465 264 L N 2.866 124.115 121.223 0.043 0.000 2.307 264 L HA 0.624 4.664 4.340 -0.499 0.000 0.282 264 L C -0.718 176.119 176.870 -0.054 0.000 1.051 264 L CA -0.635 54.160 54.840 -0.075 0.000 0.804 264 L CB 1.394 43.305 42.059 -0.247 0.000 1.197 264 L HN 0.558 nan 8.230 nan 0.000 0.431 265 L N 2.687 123.990 121.223 0.133 0.000 2.354 265 L HA 0.519 4.560 4.340 -0.499 0.000 0.269 265 L C -0.419 176.676 176.870 0.374 0.000 1.005 265 L CA -0.910 54.076 54.840 0.242 0.000 0.819 265 L CB 2.089 44.260 42.059 0.186 0.000 1.311 265 L HN 0.661 nan 8.230 nan 0.000 0.423 266 N N 0.893 119.834 118.700 0.402 0.000 2.538 266 N HA 0.176 4.617 4.740 -0.499 0.000 0.292 266 N C 0.444 175.987 175.510 0.054 0.000 1.262 266 N CA -0.860 52.307 53.050 0.196 0.000 0.976 266 N CB 0.408 38.958 38.487 0.106 0.000 1.161 266 N HN 0.591 nan 8.380 nan 0.000 0.598 267 K N -1.015 119.324 120.400 -0.103 0.000 2.281 267 K HA -0.181 3.839 4.320 -0.499 0.000 0.203 267 K C 0.310 176.790 176.600 -0.200 0.000 1.046 267 K CA 1.520 57.690 56.287 -0.195 0.000 0.938 267 K CB -0.526 31.783 32.500 -0.317 0.000 0.737 267 K HN 0.637 nan 8.250 nan 0.000 0.458 268 H N -0.603 118.501 119.070 0.056 0.000 2.551 268 H HA 0.210 4.456 4.556 -0.516 0.000 0.271 268 H C 0.797 176.167 175.328 0.069 0.000 0.984 268 H CA 0.123 56.203 56.048 0.054 0.000 1.164 268 H CB 1.036 30.824 29.762 0.044 0.000 1.437 268 H HN 0.531 nan 8.280 nan 0.000 0.550 269 G N 1.300 110.204 108.800 0.174 0.000 2.153 269 G HA2 -0.345 3.315 3.960 -0.499 0.000 0.252 269 G HA3 -0.345 3.315 3.960 -0.499 0.000 0.252 269 G C 0.085 175.082 174.900 0.162 0.000 0.994 269 G CA 0.276 45.469 45.100 0.155 0.000 0.698 269 G HN 0.545 nan 8.290 nan 0.000 0.521 270 E N 0.143 120.465 120.200 0.203 0.000 2.344 270 E HA 0.272 4.322 4.350 -0.499 0.000 0.270 270 E C 0.821 177.536 176.600 0.192 0.000 1.021 270 E CA -0.720 55.790 56.400 0.184 0.000 0.887 270 E CB 0.277 30.107 29.700 0.215 0.000 0.997 270 E HN 0.347 nan 8.360 nan 0.000 0.429 271 R N 5.577 126.112 120.500 0.058 0.000 3.268 271 R HA 0.033 4.074 4.340 -0.499 0.000 0.217 271 R C 0.638 176.897 176.300 -0.068 0.000 1.568 271 R CA -0.158 55.903 56.100 -0.066 0.000 1.322 271 R CB -0.516 29.646 30.300 -0.231 0.000 1.280 271 R HN 0.558 nan 8.270 nan 0.000 0.667 272 F N 1.216 121.228 119.950 0.103 0.000 2.408 272 F HA -0.090 4.634 4.527 0.328 0.000 0.300 272 F C 1.198 177.131 175.800 0.222 0.000 1.090 272 F CA 0.264 58.353 58.000 0.149 0.000 1.427 272 F CB -0.211 38.936 39.000 0.244 0.000 1.070 272 F HN 0.268 nan 8.300 nan 0.000 0.549 273 M N 1.078 120.570 119.600 -0.181 0.000 2.460 273 M HA -0.100 4.080 4.480 -0.499 0.000 0.263 273 M C 1.843 178.179 176.300 0.060 0.000 1.071 273 M CA 1.010 56.316 55.300 0.009 0.000 1.096 273 M CB -1.185 31.315 32.600 -0.167 0.000 1.408 273 M HN 0.411 nan 8.290 nan 0.000 0.463 274 E N -0.441 119.759 120.200 -0.000 0.000 2.106 274 E HA -0.182 3.869 4.350 -0.499 0.000 0.192 274 E C 2.173 178.786 176.600 0.021 0.000 0.984 274 E CA 0.811 57.208 56.400 -0.004 0.000 0.806 274 E CB -0.097 29.575 29.700 -0.047 0.000 0.750 274 E HN 0.443 nan 8.360 nan 0.000 0.458 275 R N -0.188 120.325 120.500 0.022 0.000 2.073 275 R HA -0.117 3.924 4.340 -0.499 0.000 0.229 275 R C 1.658 177.921 176.300 -0.062 0.000 1.120 275 R CA 1.230 57.291 56.100 -0.066 0.000 0.967 275 R CB 0.020 30.217 30.300 -0.171 0.000 0.862 275 R HN 0.197 nan 8.270 nan 0.000 0.436 276 Y N -1.241 119.128 120.300 0.114 0.000 2.448 276 Y HA 0.261 4.343 4.550 -0.781 0.000 0.289 276 Y C 0.533 176.495 175.900 0.104 0.000 1.114 276 Y CA 0.576 58.749 58.100 0.121 0.000 1.235 276 Y CB 0.665 39.226 38.460 0.169 0.000 1.045 276 Y HN 0.064 nan 8.280 nan 0.000 0.554 277 A N -0.412 122.547 122.820 0.232 0.000 3.127 277 A HA 0.430 4.451 4.320 -0.499 0.000 0.319 277 A C -2.253 175.397 177.584 0.110 0.000 1.104 277 A CA -1.108 51.035 52.037 0.177 0.000 0.802 277 A CB 0.312 19.415 19.000 0.172 0.000 1.193 277 A HN -0.031 nan 8.150 nan 0.000 0.479 278 P HA -0.136 nan 4.420 nan 0.000 0.218 278 P C 1.082 178.404 177.300 0.037 0.000 1.148 278 P CA 1.412 64.537 63.100 0.042 0.000 0.822 278 P CB 0.376 32.094 31.700 0.030 0.000 0.784 279 N N -0.670 118.066 118.700 0.060 0.000 2.124 279 N HA -0.005 4.436 4.740 -0.499 0.000 0.189 279 N C 1.654 177.199 175.510 0.058 0.000 1.050 279 N CA 1.469 54.551 53.050 0.053 0.000 0.848 279 N CB -1.009 37.519 38.487 0.069 0.000 1.027 279 N HN -0.075 nan 8.380 nan 0.000 0.435 280 A N 0.195 123.076 122.820 0.103 0.000 2.208 280 A HA 0.085 4.106 4.320 -0.499 0.000 0.209 280 A C 0.800 178.396 177.584 0.020 0.000 1.161 280 A CA 0.431 52.514 52.037 0.077 0.000 0.782 280 A CB -0.254 18.828 19.000 0.138 0.000 0.816 280 A HN 0.288 nan 8.150 nan 0.000 0.477 281 K N -1.286 119.128 120.400 0.024 0.000 1.721 281 K HA -0.307 3.714 4.320 -0.499 0.000 0.121 281 K C 0.448 177.020 176.600 -0.047 0.000 1.152 281 K CA 2.086 58.365 56.287 -0.013 0.000 0.360 281 K CB -1.308 31.169 32.500 -0.038 0.000 0.626 281 K HN 0.405 nan 8.250 nan 0.000 0.878 282 D N 0.866 121.226 120.400 -0.066 0.000 2.348 282 D HA 0.033 4.374 4.640 -0.499 0.000 0.216 282 D C 0.835 177.064 176.300 -0.118 0.000 0.970 282 D CA 0.744 54.688 54.000 -0.092 0.000 0.889 282 D CB 0.033 40.799 40.800 -0.057 0.000 0.912 282 D HN 0.187 nan 8.370 nan 0.000 0.524 283 L N 0.443 121.605 121.223 -0.102 0.000 2.912 283 L HA 0.402 4.443 4.340 -0.499 0.000 0.240 283 L C 0.670 177.435 176.870 -0.176 0.000 1.262 283 L CA -0.669 54.093 54.840 -0.130 0.000 1.058 283 L CB -0.006 42.012 42.059 -0.067 0.000 1.383 283 L HN -0.027 nan 8.230 nan 0.000 0.512 284 A N -0.081 122.596 122.820 -0.239 0.000 2.280 284 A HA 0.587 4.608 4.320 -0.499 0.000 0.268 284 A C 0.881 178.044 177.584 -0.702 0.000 1.111 284 A CA 0.183 51.913 52.037 -0.513 0.000 0.814 284 A CB 0.069 18.868 19.000 -0.334 0.000 1.093 284 A HN 0.303 nan 8.150 nan 0.000 0.498 285 G N -1.087 106.934 108.800 -1.299 0.000 2.614 285 G HA2 0.296 3.957 3.960 -0.499 0.000 0.239 285 G HA3 0.296 3.957 3.960 -0.499 0.000 0.239 285 G C 0.690 175.373 174.900 -0.362 0.000 1.240 285 G CA -0.229 44.463 45.100 -0.680 0.000 0.842 285 G HN 0.788 nan 8.290 nan 0.000 0.584 286 R N 0.023 120.384 120.500 -0.232 0.000 2.092 286 R HA -0.089 3.952 4.340 -0.499 0.000 0.231 286 R C 2.392 178.616 176.300 -0.126 0.000 1.119 286 R CA 1.629 57.608 56.100 -0.202 0.000 0.970 286 R CB -0.075 30.106 30.300 -0.198 0.000 0.864 286 R HN 0.802 nan 8.270 nan 0.000 0.440 287 D N 0.292 120.652 120.400 -0.067 0.000 2.123 287 D HA -0.145 4.196 4.640 -0.499 0.000 0.196 287 D C 1.786 178.042 176.300 -0.074 0.000 0.992 287 D CA 1.181 55.158 54.000 -0.038 0.000 0.833 287 D CB -0.517 40.291 40.800 0.014 0.000 0.954 287 D HN 0.092 nan 8.370 nan 0.000 0.455 288 V N 0.899 120.777 119.914 -0.059 0.000 2.323 288 V HA -0.190 3.630 4.120 -0.499 0.000 0.244 288 V C 2.966 179.006 176.094 -0.091 0.000 1.041 288 V CA 1.162 63.441 62.300 -0.036 0.000 1.025 288 V CB -0.316 31.532 31.823 0.041 0.000 0.656 288 V HN 0.099 nan 8.190 nan 0.000 0.451 289 V N 0.457 120.297 119.914 -0.123 0.000 2.343 289 V HA -0.257 3.564 4.120 -0.499 0.000 0.247 289 V C 2.712 178.748 176.094 -0.097 0.000 1.051 289 V CA 2.024 64.258 62.300 -0.110 0.000 1.036 289 V CB -1.181 30.553 31.823 -0.148 0.000 0.654 289 V HN 0.552 nan 8.190 nan 0.000 0.451 290 A N -0.150 122.599 122.820 -0.118 0.000 1.877 290 A HA -0.227 3.794 4.320 -0.499 0.000 0.216 290 A C 2.400 179.878 177.584 -0.177 0.000 1.186 290 A CA 1.843 53.809 52.037 -0.117 0.000 0.620 290 A CB -0.512 18.428 19.000 -0.101 0.000 0.822 290 A HN 0.481 nan 8.150 nan 0.000 0.443 291 R N -0.315 120.049 120.500 -0.227 0.000 2.096 291 R HA -0.075 3.965 4.340 -0.499 0.000 0.235 291 R C 2.515 178.721 176.300 -0.156 0.000 1.127 291 R CA 1.495 57.440 56.100 -0.259 0.000 0.968 291 R CB -0.320 29.846 30.300 -0.223 0.000 0.861 291 R HN 0.530 nan 8.270 nan 0.000 0.440 292 S N 0.905 116.437 115.700 -0.279 0.000 2.368 292 S HA -0.092 4.079 4.470 -0.499 0.000 0.225 292 S C 1.937 176.295 174.600 -0.403 0.000 1.030 292 S CA 1.040 58.851 58.200 -0.648 0.000 0.999 292 S CB -0.125 62.681 63.200 -0.658 0.000 0.844 292 S HN 0.232 nan 8.310 nan 0.000 0.459 293 I N 1.145 121.633 120.570 -0.137 0.000 2.252 293 I HA -0.154 3.716 4.170 -0.499 0.000 0.245 293 I C 2.169 178.212 176.117 -0.122 0.000 1.102 293 I CA 0.921 62.162 61.300 -0.098 0.000 1.385 293 I CB -0.262 37.772 38.000 0.056 0.000 1.064 293 I HN 0.277 nan 8.210 nan 0.000 0.414 294 M N -0.085 119.482 119.600 -0.055 0.000 2.319 294 M HA -0.085 4.096 4.480 -0.499 0.000 0.265 294 M C 2.305 178.658 176.300 0.089 0.000 1.068 294 M CA 1.611 56.935 55.300 0.041 0.000 1.118 294 M CB -0.808 31.848 32.600 0.093 0.000 1.395 294 M HN 0.221 nan 8.290 nan 0.000 0.435 295 I N -0.196 120.409 120.570 0.059 0.000 2.233 295 I HA -0.228 3.643 4.170 -0.499 0.000 0.243 295 I C 2.368 178.470 176.117 -0.025 0.000 1.093 295 I CA 0.809 62.138 61.300 0.049 0.000 1.380 295 I CB -0.321 37.739 38.000 0.098 0.000 1.067 295 I HN 0.183 nan 8.210 nan 0.000 0.413 296 E N 0.897 121.017 120.200 -0.134 0.000 2.108 296 E HA -0.256 3.795 4.350 -0.499 0.000 0.203 296 E C 2.211 178.728 176.600 -0.139 0.000 1.022 296 E CA 1.664 57.936 56.400 -0.213 0.000 0.823 296 E CB -0.411 28.941 29.700 -0.579 0.000 0.744 296 E HN 0.532 nan 8.360 nan 0.000 0.456 297 I N 0.329 120.830 120.570 -0.113 0.000 2.163 297 I HA -0.247 3.624 4.170 -0.499 0.000 0.240 297 I C 2.544 178.633 176.117 -0.046 0.000 1.081 297 I CA 1.016 62.273 61.300 -0.072 0.000 1.353 297 I CB -0.240 37.736 38.000 -0.041 0.000 1.054 297 I HN 0.001 nan 8.210 nan 0.000 0.407 298 R N 0.760 121.243 120.500 -0.028 0.000 2.127 298 R HA -0.179 3.862 4.340 -0.499 0.000 0.238 298 R C 1.432 177.705 176.300 -0.045 0.000 1.134 298 R CA 1.240 57.319 56.100 -0.034 0.000 0.975 298 R CB -0.270 30.005 30.300 -0.041 0.000 0.865 298 R HN 0.455 nan 8.270 nan 0.000 0.447 299 E N -0.607 119.570 120.200 -0.039 0.000 2.437 299 E HA 0.099 4.149 4.350 -0.499 0.000 0.189 299 E C 0.397 176.984 176.600 -0.022 0.000 1.054 299 E CA 0.193 56.575 56.400 -0.031 0.000 0.874 299 E CB 0.843 30.533 29.700 -0.018 0.000 1.011 299 E HN 0.491 nan 8.360 nan 0.000 0.474 300 G N 1.979 110.758 108.800 -0.034 0.000 2.147 300 G HA2 -0.333 3.327 3.960 -0.499 0.000 0.244 300 G HA3 -0.333 3.327 3.960 -0.499 0.000 0.244 300 G C 0.722 175.597 174.900 -0.042 0.000 1.005 300 G CA 0.117 45.197 45.100 -0.033 0.000 0.713 300 G HN 0.280 nan 8.290 nan 0.000 0.515 301 R N -0.117 120.347 120.500 -0.060 0.000 2.397 301 R HA 0.301 4.342 4.340 -0.499 0.000 0.241 301 R C 1.641 177.849 176.300 -0.153 0.000 0.914 301 R CA 0.275 56.318 56.100 -0.094 0.000 1.071 301 R CB 0.664 30.959 30.300 -0.008 0.000 1.116 301 R HN 0.382 nan 8.270 nan 0.000 0.524 302 G N 0.371 109.086 108.800 -0.142 0.000 2.599 302 G HA2 0.273 3.934 3.960 -0.499 0.000 0.264 302 G HA3 0.273 3.934 3.960 -0.499 0.000 0.264 302 G C -0.072 174.704 174.900 -0.206 0.000 1.200 302 G CA -0.467 44.533 45.100 -0.167 0.000 0.896 302 G HN 0.134 nan 8.290 nan 0.000 0.536 303 C N -0.597 118.497 119.300 -0.342 0.000 2.345 303 C HA 0.763 4.923 4.460 -0.499 0.000 0.370 303 C C 0.047 174.839 174.990 -0.330 0.000 1.209 303 C CA -0.580 58.220 59.018 -0.364 0.000 2.133 303 C CB 1.735 29.196 27.740 -0.465 0.000 2.293 303 C HN 0.764 nan 8.230 nan 0.000 0.544 304 D N -1.801 118.580 120.400 -0.031 0.000 2.714 304 D HA 0.749 5.090 4.640 -0.499 0.000 0.278 304 D C 0.064 176.594 176.300 0.384 0.000 1.102 304 D CA 0.758 54.866 54.000 0.180 0.000 1.108 304 D CB 2.173 43.026 40.800 0.089 0.000 1.444 304 D HN 1.062 nan 8.370 nan 0.000 0.568 305 G N -0.403 108.560 108.800 0.271 0.000 2.320 305 G HA2 -0.002 3.659 3.960 -0.499 0.000 0.274 305 G HA3 -0.002 3.659 3.960 -0.499 0.000 0.274 305 G C -2.236 172.607 174.900 -0.095 0.000 1.324 305 G CA -0.285 44.874 45.100 0.099 0.000 0.957 305 G HN 0.358 nan 8.290 nan 0.000 0.481 306 P HA -0.055 nan 4.420 nan 0.000 0.217 306 P C 1.330 178.431 177.300 -0.333 0.000 1.148 306 P CA 1.863 64.646 63.100 -0.528 0.000 0.834 306 P CB -0.001 31.160 31.700 -0.899 0.000 0.783 307 W N -0.536 120.790 121.300 0.043 0.000 2.905 307 W HA 0.336 4.698 4.660 -0.496 0.000 0.251 307 W C 1.085 177.650 176.519 0.076 0.000 1.305 307 W CA 0.864 58.224 57.345 0.026 0.000 1.465 307 W CB -0.941 28.462 29.460 -0.095 0.000 1.122 307 W HN 0.032 nan 8.180 nan 0.000 0.659 308 G N 0.653 109.643 108.800 0.318 0.000 2.728 308 G HA2 -0.211 3.450 3.960 -0.499 0.000 0.294 308 G HA3 -0.211 3.450 3.960 -0.499 0.000 0.294 308 G C -2.918 172.194 174.900 0.354 0.000 1.342 308 G CA -1.336 43.919 45.100 0.257 0.000 0.866 308 G HN -0.243 nan 8.290 nan 0.000 0.534 309 P HA 0.289 nan 4.420 nan 0.000 0.266 309 P C -0.002 177.428 177.300 0.217 0.000 1.195 309 P CA 0.959 64.148 63.100 0.148 0.000 0.768 309 P CB 0.421 32.166 31.700 0.074 0.000 0.838 310 H N -0.025 119.084 119.070 0.066 0.000 2.935 310 H HA 0.685 4.948 4.556 -0.490 0.000 0.297 310 H C -1.901 173.446 175.328 0.032 0.000 1.423 310 H CA -1.182 54.893 56.048 0.046 0.000 1.161 310 H CB 0.450 30.235 29.762 0.037 0.000 1.841 310 H HN 0.439 nan 8.280 nan 0.000 0.506 311 A N 1.393 124.300 122.820 0.145 0.000 2.311 311 A HA 0.540 4.560 4.320 -0.499 0.000 0.334 311 A C -0.383 177.340 177.584 0.232 0.000 1.139 311 A CA -0.998 51.126 52.037 0.144 0.000 0.830 311 A CB 1.141 20.281 19.000 0.233 0.000 1.234 311 A HN 0.503 nan 8.150 nan 0.000 0.483 312 K N 0.840 121.345 120.400 0.174 0.000 2.201 312 K HA 0.361 4.382 4.320 -0.499 0.000 0.278 312 K C -1.336 175.291 176.600 0.044 0.000 1.027 312 K CA -0.408 55.940 56.287 0.102 0.000 0.909 312 K CB 1.494 34.041 32.500 0.079 0.000 1.062 312 K HN 0.470 nan 8.250 nan 0.000 0.465 313 L N 3.310 124.519 121.223 -0.022 0.000 2.283 313 L HA 0.250 4.291 4.340 -0.499 0.000 0.281 313 L C -0.149 176.654 176.870 -0.112 0.000 1.033 313 L CA -0.132 54.671 54.840 -0.062 0.000 0.848 313 L CB 0.665 42.688 42.059 -0.059 0.000 1.226 313 L HN 0.439 nan 8.230 nan 0.000 0.429 314 K N 5.030 125.322 120.400 -0.181 0.000 2.276 314 K HA 0.338 4.358 4.320 -0.499 0.000 0.285 314 K C -0.088 176.388 176.600 -0.207 0.000 1.062 314 K CA -0.218 55.941 56.287 -0.213 0.000 0.918 314 K CB 0.616 32.914 32.500 -0.338 0.000 1.055 314 K HN 0.863 nan 8.250 nan 0.000 0.477 315 L N 3.237 124.357 121.223 -0.172 0.000 2.840 315 L HA 0.077 4.118 4.340 -0.499 0.000 0.249 315 L C 1.203 177.866 176.870 -0.346 0.000 1.119 315 L CA 0.024 54.694 54.840 -0.284 0.000 0.930 315 L CB 0.233 42.179 42.059 -0.187 0.000 1.295 315 L HN 0.718 nan 8.230 nan 0.000 0.534 316 D N -0.513 119.797 120.400 -0.150 0.000 2.265 316 D HA -0.284 4.057 4.640 -0.499 0.000 0.208 316 D C 1.886 178.135 176.300 -0.085 0.000 0.977 316 D CA 1.382 55.329 54.000 -0.089 0.000 0.871 316 D CB -0.339 40.452 40.800 -0.016 0.000 0.925 316 D HN 0.519 nan 8.370 nan 0.000 0.485 317 H N 0.350 119.393 119.070 -0.046 0.000 2.559 317 H HA 0.082 4.338 4.556 -0.500 0.000 0.273 317 H C 1.724 177.052 175.328 0.000 0.000 1.000 317 H CA 0.324 56.366 56.048 -0.009 0.000 1.195 317 H CB -0.339 29.433 29.762 0.018 0.000 1.368 317 H HN 0.279 nan 8.280 nan 0.000 0.592 318 L N 0.518 121.485 121.223 -0.427 0.000 2.341 318 L HA 0.157 4.198 4.340 -0.499 0.000 0.214 318 L C 0.901 177.711 176.870 -0.100 0.000 1.115 318 L CA 0.585 55.281 54.840 -0.239 0.000 0.820 318 L CB -0.221 41.674 42.059 -0.273 0.000 0.944 318 L HN 0.556 nan 8.230 nan 0.000 0.452 319 G N 0.516 109.264 108.800 -0.086 0.000 2.721 319 G HA2 -0.241 3.419 3.960 -0.499 0.000 0.686 319 G HA3 -0.241 3.419 3.960 -0.499 0.000 0.686 319 G C 0.288 175.161 174.900 -0.046 0.000 1.236 319 G CA 0.031 45.105 45.100 -0.044 0.000 0.786 319 G HN 0.125 nan 8.290 nan 0.000 0.616 320 K N 0.210 120.591 120.400 -0.032 0.000 2.063 320 K HA -0.158 3.862 4.320 -0.499 0.000 0.208 320 K C 2.154 178.736 176.600 -0.030 0.000 1.048 320 K CA 2.153 58.422 56.287 -0.029 0.000 0.928 320 K CB -0.149 32.339 32.500 -0.020 0.000 0.713 320 K HN 0.668 nan 8.250 nan 0.000 0.442 321 E N -0.025 120.160 120.200 -0.026 0.000 2.051 321 E HA -0.156 3.895 4.350 -0.499 0.000 0.192 321 E C 1.927 178.508 176.600 -0.033 0.000 0.991 321 E CA 1.301 57.685 56.400 -0.026 0.000 0.799 321 E CB 0.141 29.829 29.700 -0.021 0.000 0.748 321 E HN 0.145 nan 8.360 nan 0.000 0.449 322 V N 1.292 121.186 119.914 -0.033 0.000 2.358 322 V HA -0.250 3.570 4.120 -0.499 0.000 0.246 322 V C 2.423 178.494 176.094 -0.038 0.000 1.047 322 V CA 1.335 63.614 62.300 -0.036 0.000 1.035 322 V CB -0.385 31.420 31.823 -0.029 0.000 0.658 322 V HN 0.325 nan 8.190 nan 0.000 0.452 323 L N -0.396 120.800 121.223 -0.045 0.000 2.017 323 L HA -0.214 3.827 4.340 -0.499 0.000 0.208 323 L C 2.539 179.389 176.870 -0.034 0.000 1.073 323 L CA 1.849 56.663 54.840 -0.044 0.000 0.745 323 L CB -0.578 41.448 42.059 -0.054 0.000 0.894 323 L HN 0.356 nan 8.230 nan 0.000 0.432 324 E N -0.955 119.225 120.200 -0.033 0.000 2.274 324 E HA -0.173 3.878 4.350 -0.499 0.000 0.194 324 E C 2.269 178.849 176.600 -0.032 0.000 0.996 324 E CA 1.165 57.547 56.400 -0.030 0.000 0.840 324 E CB 0.099 29.782 29.700 -0.028 0.000 0.772 324 E HN 0.357 nan 8.360 nan 0.000 0.491 325 S N 0.236 115.913 115.700 -0.039 0.000 2.427 325 S HA 0.021 4.192 4.470 -0.499 0.000 0.224 325 S C 1.791 176.358 174.600 -0.055 0.000 1.047 325 S CA 0.302 58.471 58.200 -0.051 0.000 0.953 325 S CB 0.227 63.389 63.200 -0.064 0.000 0.824 325 S HN 0.084 nan 8.310 nan 0.000 0.502 326 R N -0.210 120.264 120.500 -0.043 0.000 2.308 326 R HA 0.422 4.463 4.340 -0.499 0.000 0.202 326 R C 0.225 176.540 176.300 0.025 0.000 0.898 326 R CA 0.246 56.336 56.100 -0.016 0.000 1.046 326 R CB 0.321 30.620 30.300 -0.000 0.000 1.026 326 R HN 0.351 nan 8.270 nan 0.000 0.512 327 L N 0.910 122.137 121.223 0.006 0.000 3.320 327 L HA 0.235 4.276 4.340 -0.499 0.000 0.331 327 L C -1.845 175.023 176.870 -0.003 0.000 1.306 327 L CA -0.829 54.018 54.840 0.012 0.000 0.892 327 L CB 1.407 43.470 42.059 0.007 0.000 1.337 327 L HN -0.108 nan 8.230 nan 0.000 0.604 328 P HA -0.134 nan 4.420 nan 0.000 0.220 328 P C 1.545 178.836 177.300 -0.016 0.000 1.148 328 P CA 1.507 64.596 63.100 -0.018 0.000 0.803 328 P CB 0.329 32.015 31.700 -0.024 0.000 0.782 329 G N 1.206 110.001 108.800 -0.008 0.000 2.402 329 G HA2 -0.199 3.462 3.960 -0.499 0.000 0.216 329 G HA3 -0.199 3.462 3.960 -0.499 0.000 0.216 329 G C 1.524 176.428 174.900 0.007 0.000 1.162 329 G CA 0.940 46.037 45.100 -0.005 0.000 0.777 329 G HN 0.399 nan 8.290 nan 0.000 0.539 330 I N -0.990 119.584 120.570 0.006 0.000 2.546 330 I HA 0.091 3.961 4.170 -0.499 0.000 0.255 330 I C 2.388 178.503 176.117 -0.004 0.000 1.163 330 I CA 0.710 62.013 61.300 0.004 0.000 1.457 330 I CB -0.319 37.678 38.000 -0.005 0.000 1.092 330 I HN 0.039 nan 8.210 nan 0.000 0.434 331 L N 0.773 121.988 121.223 -0.013 0.000 1.990 331 L HA -0.223 3.818 4.340 -0.499 0.000 0.213 331 L C 2.735 179.594 176.870 -0.017 0.000 1.072 331 L CA 2.045 56.873 54.840 -0.020 0.000 0.755 331 L CB -0.846 41.199 42.059 -0.024 0.000 0.889 331 L HN 0.325 nan 8.230 nan 0.000 0.432 332 E N 0.099 120.291 120.200 -0.014 0.000 2.058 332 E HA -0.221 3.830 4.350 -0.499 0.000 0.194 332 E C 2.337 178.936 176.600 -0.002 0.000 0.997 332 E CA 1.156 57.545 56.400 -0.019 0.000 0.801 332 E CB -0.150 29.541 29.700 -0.016 0.000 0.746 332 E HN 0.397 nan 8.360 nan 0.000 0.450 333 L N 0.321 121.578 121.223 0.056 0.000 2.046 333 L HA -0.185 3.856 4.340 -0.499 0.000 0.208 333 L C 2.646 179.600 176.870 0.140 0.000 1.077 333 L CA 1.020 55.962 54.840 0.170 0.000 0.747 333 L CB -0.422 41.729 42.059 0.154 0.000 0.896 333 L HN 0.141 nan 8.230 nan 0.000 0.432 334 S N -0.085 115.642 115.700 0.046 0.000 2.368 334 S HA -0.162 4.009 4.470 -0.499 0.000 0.224 334 S C 2.134 176.721 174.600 -0.022 0.000 1.029 334 S CA 1.162 59.370 58.200 0.012 0.000 0.988 334 S CB -0.052 63.134 63.200 -0.023 0.000 0.838 334 S HN 0.311 nan 8.310 nan 0.000 0.462 335 R N -0.110 120.360 120.500 -0.049 0.000 2.092 335 R HA 0.003 4.043 4.340 -0.499 0.000 0.231 335 R C 2.384 178.552 176.300 -0.221 0.000 1.119 335 R CA 1.859 57.909 56.100 -0.083 0.000 0.970 335 R CB -0.575 29.689 30.300 -0.060 0.000 0.864 335 R HN 0.377 nan 8.270 nan 0.000 0.440 336 T N -0.302 114.082 114.554 -0.283 0.000 2.937 336 T HA 0.018 4.068 4.350 -0.499 0.000 0.260 336 T C 0.929 175.182 174.700 -0.746 0.000 1.051 336 T CA 1.001 62.763 62.100 -0.563 0.000 1.141 336 T CB 0.009 68.438 68.868 -0.732 0.000 0.879 336 T HN 0.076 nan 8.240 nan 0.000 0.459 337 F N 0.174 120.026 119.950 -0.164 0.000 2.720 337 F HA 0.555 4.782 4.527 -0.499 0.000 0.301 337 F C 1.916 177.707 175.800 -0.015 0.000 1.103 337 F CA -0.367 57.579 58.000 -0.090 0.000 1.291 337 F CB 0.240 39.224 39.000 -0.027 0.000 1.086 337 F HN 0.121 nan 8.300 nan 0.000 0.592 338 A N -2.169 120.713 122.820 0.103 0.000 2.498 338 A HA 0.225 4.246 4.320 -0.499 0.000 0.238 338 A C 0.341 178.170 177.584 0.408 0.000 1.225 338 A CA -0.003 52.203 52.037 0.282 0.000 0.978 338 A CB -0.371 18.669 19.000 0.067 0.000 1.142 338 A HN 0.352 nan 8.150 nan 0.000 0.552 339 H N -0.831 118.349 119.070 0.183 0.000 2.713 339 H HA -0.140 4.116 4.556 -0.500 0.000 0.311 339 H C -0.735 174.689 175.328 0.162 0.000 1.175 339 H CA 1.038 57.169 56.048 0.139 0.000 1.143 339 H CB -2.033 27.805 29.762 0.127 0.000 1.434 339 H HN 0.251 nan 8.280 nan 0.000 0.418 340 V N 1.081 121.088 119.914 0.155 0.000 2.638 340 V HA 0.136 3.957 4.120 -0.499 0.000 0.306 340 V C 0.154 176.264 176.094 0.027 0.000 1.052 340 V CA -0.814 61.542 62.300 0.093 0.000 0.885 340 V CB 2.610 34.434 31.823 0.002 0.000 0.999 340 V HN 0.225 nan 8.190 nan 0.000 0.424 341 D N 6.222 126.638 120.400 0.026 0.000 2.380 341 D HA 0.375 4.716 4.640 -0.499 0.000 0.230 341 D C -1.772 174.518 176.300 -0.017 0.000 1.154 341 D CA -2.125 51.877 54.000 0.003 0.000 0.859 341 D CB 2.128 42.935 40.800 0.011 0.000 1.045 341 D HN 0.171 nan 8.370 nan 0.000 0.495 342 P HA -0.104 nan 4.420 nan 0.000 0.225 342 P C 1.322 178.591 177.300 -0.053 0.000 1.148 342 P CA 0.399 63.468 63.100 -0.052 0.000 0.779 342 P CB 0.384 32.049 31.700 -0.059 0.000 0.780 343 V N 0.042 119.933 119.914 -0.039 0.000 2.626 343 V HA -0.165 3.655 4.120 -0.499 0.000 0.252 343 V C 1.821 177.900 176.094 -0.024 0.000 1.067 343 V CA 1.730 64.008 62.300 -0.037 0.000 1.081 343 V CB -0.842 30.966 31.823 -0.026 0.000 0.686 343 V HN 0.269 nan 8.190 nan 0.000 0.468 344 K N -1.103 119.289 120.400 -0.013 0.000 2.450 344 K HA 0.302 4.322 4.320 -0.499 0.000 0.206 344 K C -0.003 176.600 176.600 0.004 0.000 1.148 344 K CA 0.039 56.327 56.287 0.001 0.000 1.014 344 K CB 1.110 33.617 32.500 0.011 0.000 0.966 344 K HN 0.315 nan 8.250 nan 0.000 0.566 345 E N 0.951 121.146 120.200 -0.008 0.000 2.383 345 E HA 0.362 4.412 4.350 -0.499 0.000 0.275 345 E C -2.923 173.648 176.600 -0.047 0.000 0.918 345 E CA -2.374 54.019 56.400 -0.012 0.000 0.764 345 E CB 2.043 31.747 29.700 0.006 0.000 1.252 345 E HN -0.205 nan 8.360 nan 0.000 0.449 346 P HA 0.256 nan 4.420 nan 0.000 0.275 346 P C -0.177 177.032 177.300 -0.151 0.000 1.228 346 P CA -0.134 62.914 63.100 -0.088 0.000 0.786 346 P CB 0.510 32.176 31.700 -0.056 0.000 0.927 347 I N 4.134 124.609 120.570 -0.157 0.000 2.371 347 I HA 0.217 4.088 4.170 -0.499 0.000 0.290 347 I C -1.913 174.030 176.117 -0.290 0.000 1.028 347 I CA -2.445 58.720 61.300 -0.224 0.000 1.345 347 I CB 1.019 38.929 38.000 -0.149 0.000 1.407 347 I HN 0.140 nan 8.210 nan 0.000 0.501 348 P HA 0.106 nan 4.420 nan 0.000 0.275 348 P C -0.628 176.484 177.300 -0.313 0.000 1.276 348 P CA 0.012 62.696 63.100 -0.694 0.000 0.782 348 P CB 0.752 31.463 31.700 -1.648 0.000 0.851 349 V N 2.683 122.560 119.914 -0.062 0.000 2.960 349 V HA 0.766 4.586 4.120 -0.499 0.000 0.315 349 V C -0.509 175.637 176.094 0.087 0.000 1.087 349 V CA -1.220 61.082 62.300 0.004 0.000 0.982 349 V CB 2.583 34.412 31.823 0.011 0.000 1.039 349 V HN 0.474 nan 8.190 nan 0.000 0.437 350 I N 1.537 122.154 120.570 0.079 0.000 2.841 350 I HA 0.610 4.480 4.170 -0.499 0.000 0.298 350 I C -2.865 173.303 176.117 0.086 0.000 1.304 350 I CA -2.341 59.014 61.300 0.091 0.000 1.019 350 I CB 3.182 41.245 38.000 0.106 0.000 1.282 350 I HN 0.547 nan 8.210 nan 0.000 0.432 351 P HA 0.121 nan 4.420 nan 0.000 0.264 351 P C -1.446 175.955 177.300 0.169 0.000 1.183 351 P CA 0.334 63.495 63.100 0.102 0.000 0.763 351 P CB 0.407 32.124 31.700 0.028 0.000 0.807 352 T N 2.176 116.868 114.554 0.230 0.000 2.971 352 T HA 0.164 4.215 4.350 -0.499 0.000 0.304 352 T C -0.613 174.169 174.700 0.137 0.000 1.038 352 T CA -0.365 61.855 62.100 0.201 0.000 1.007 352 T CB 0.838 69.769 68.868 0.105 0.000 1.055 352 T HN 0.448 nan 8.240 nan 0.000 0.451 353 C N 3.659 122.906 119.300 -0.087 0.000 2.437 353 C HA 0.149 4.310 4.460 -0.499 0.000 0.399 353 C C 1.439 176.329 174.990 -0.167 0.000 1.478 353 C CA 1.020 59.637 59.018 -0.669 0.000 1.538 353 C CB -1.231 25.913 27.740 -0.993 0.000 2.506 353 C HN 1.148 nan 8.230 nan 0.000 0.603 354 H N 2.346 121.319 119.070 -0.162 0.000 2.312 354 H HA 0.290 4.549 4.556 -0.496 0.000 0.215 354 H C -0.776 174.670 175.328 0.197 0.000 0.870 354 H CA 0.650 56.737 56.048 0.066 0.000 0.982 354 H CB 0.283 30.143 29.762 0.163 0.000 1.330 354 H HN 0.751 nan 8.280 nan 0.000 0.399 355 Y N 0.830 121.144 120.300 0.023 0.000 2.544 355 Y HA 0.361 4.611 4.550 -0.500 0.000 0.342 355 Y C -1.448 174.332 175.900 -0.199 0.000 1.062 355 Y CA -1.270 56.764 58.100 -0.111 0.000 1.023 355 Y CB 1.674 40.072 38.460 -0.104 0.000 1.308 355 Y HN 0.132 nan 8.280 nan 0.000 0.457 356 M N 7.380 126.242 119.600 -1.231 0.000 2.152 356 M HA 0.250 4.430 4.480 -0.499 0.000 0.354 356 M C -0.584 175.141 176.300 -0.958 0.000 1.173 356 M CA -0.372 54.125 55.300 -1.338 0.000 1.110 356 M CB 0.873 32.721 32.600 -1.253 0.000 1.366 356 M HN 1.049 nan 8.290 nan 0.000 0.415 357 M N 2.851 122.154 119.600 -0.494 0.000 2.229 357 M HA 0.095 4.275 4.480 -0.499 0.000 0.264 357 M C 1.284 177.492 176.300 -0.153 0.000 1.063 357 M CA 1.169 56.417 55.300 -0.087 0.000 1.114 357 M CB -0.312 32.314 32.600 0.043 0.000 1.387 357 M HN 0.755 nan 8.290 nan 0.000 0.420 358 G N -1.093 107.514 108.800 -0.323 0.000 2.611 358 G HA2 0.511 4.172 3.960 -0.499 0.000 0.273 358 G HA3 0.511 4.172 3.960 -0.499 0.000 0.273 358 G C 0.128 174.891 174.900 -0.228 0.000 1.305 358 G CA -0.082 44.877 45.100 -0.235 0.000 1.010 358 G HN 0.613 nan 8.290 nan 0.000 0.509 359 G N -1.809 106.898 108.800 -0.155 0.000 2.350 359 G HA2 0.247 3.908 3.960 -0.499 0.000 0.282 359 G HA3 0.247 3.908 3.960 -0.499 0.000 0.282 359 G C -0.903 173.941 174.900 -0.092 0.000 1.314 359 G CA -0.760 44.264 45.100 -0.127 0.000 0.915 359 G HN 0.741 nan 8.290 nan 0.000 0.499 360 I N 3.242 123.763 120.570 -0.082 0.000 2.517 360 I HA 0.253 4.123 4.170 -0.499 0.000 0.285 360 I C -1.619 174.434 176.117 -0.107 0.000 1.106 360 I CA -1.401 59.854 61.300 -0.076 0.000 1.402 360 I CB 1.261 39.225 38.000 -0.061 0.000 1.399 360 I HN 0.177 nan 8.210 nan 0.000 0.535 361 P HA 0.101 nan 4.420 nan 0.000 0.271 361 P C -0.587 176.618 177.300 -0.158 0.000 1.216 361 P CA -0.077 62.928 63.100 -0.159 0.000 0.771 361 P CB 0.791 32.395 31.700 -0.160 0.000 0.864 362 T N -0.354 114.090 114.554 -0.184 0.000 2.896 362 T HA 0.507 4.558 4.350 -0.499 0.000 0.297 362 T C -0.109 174.475 174.700 -0.193 0.000 1.108 362 T CA -1.049 60.944 62.100 -0.179 0.000 1.004 362 T CB 1.685 70.451 68.868 -0.170 0.000 1.159 362 T HN 0.147 nan 8.240 nan 0.000 0.499 363 K N 0.492 120.788 120.400 -0.172 0.000 2.118 363 K HA 0.448 4.469 4.320 -0.499 0.000 0.240 363 K C 1.270 177.760 176.600 -0.183 0.000 1.035 363 K CA -0.773 55.413 56.287 -0.168 0.000 0.899 363 K CB 0.441 32.851 32.500 -0.150 0.000 1.085 363 K HN 0.317 nan 8.250 nan 0.000 0.498 364 V N 1.050 120.851 119.914 -0.190 0.000 2.594 364 V HA -0.224 3.597 4.120 -0.499 0.000 0.253 364 V C 2.201 178.217 176.094 -0.131 0.000 1.069 364 V CA 2.373 64.570 62.300 -0.171 0.000 1.082 364 V CB -0.891 30.730 31.823 -0.338 0.000 0.680 364 V HN 1.030 nan 8.190 nan 0.000 0.469 365 T N -2.683 111.759 114.554 -0.187 0.000 3.113 365 T HA 0.163 4.213 4.350 -0.499 0.000 0.263 365 T C 1.628 176.388 174.700 0.099 0.000 1.143 365 T CA 1.099 63.130 62.100 -0.114 0.000 1.090 365 T CB 0.213 69.012 68.868 -0.114 0.000 0.922 365 T HN 0.903 nan 8.240 nan 0.000 0.521 366 G N 0.743 109.581 108.800 0.062 0.000 2.225 366 G HA2 -0.280 3.380 3.960 -0.499 0.000 0.254 366 G HA3 -0.280 3.380 3.960 -0.499 0.000 0.254 366 G C -0.007 174.952 174.900 0.100 0.000 0.988 366 G CA 0.058 45.242 45.100 0.139 0.000 0.625 366 G HN 0.678 nan 8.290 nan 0.000 0.527 367 Q N 0.985 120.747 119.800 -0.064 0.000 2.286 367 Q HA 0.473 4.514 4.340 -0.499 0.000 0.290 367 Q C 0.751 176.549 176.000 -0.337 0.000 1.049 367 Q CA 0.354 55.867 55.803 -0.483 0.000 0.923 367 Q CB 0.784 29.289 28.738 -0.389 0.000 1.183 367 Q HN 0.825 nan 8.270 nan 0.000 0.383 368 A N 3.739 126.330 122.820 -0.382 0.000 2.340 368 A HA 0.527 4.548 4.320 -0.499 0.000 0.268 368 A C -0.491 176.975 177.584 -0.197 0.000 1.100 368 A CA -0.442 51.461 52.037 -0.224 0.000 0.803 368 A CB 0.494 19.389 19.000 -0.175 0.000 1.043 368 A HN 0.706 nan 8.150 nan 0.000 0.488 369 L N 0.694 121.827 121.223 -0.150 0.000 2.330 369 L HA 0.712 4.752 4.340 -0.499 0.000 0.271 369 L C 0.482 177.291 176.870 -0.102 0.000 1.013 369 L CA -0.412 54.352 54.840 -0.127 0.000 0.816 369 L CB 2.289 44.274 42.059 -0.124 0.000 1.287 369 L HN 0.842 nan 8.230 nan 0.000 0.435 370 T N 0.630 115.131 114.554 -0.089 0.000 2.804 370 T HA 0.716 4.767 4.350 -0.499 0.000 0.290 370 T C -1.465 173.196 174.700 -0.065 0.000 1.099 370 T CA -0.426 61.630 62.100 -0.073 0.000 1.011 370 T CB 1.921 70.748 68.868 -0.068 0.000 1.291 370 T HN 0.413 nan 8.240 nan 0.000 0.523 371 V N 1.852 121.731 119.914 -0.059 0.000 2.769 371 V HA 0.808 4.629 4.120 -0.499 0.000 0.312 371 V C -0.230 175.836 176.094 -0.047 0.000 1.061 371 V CA -1.167 61.103 62.300 -0.050 0.000 0.931 371 V CB 1.387 33.184 31.823 -0.045 0.000 1.010 371 V HN 1.028 nan 8.190 nan 0.000 0.433 372 N N 1.550 120.225 118.700 -0.041 0.000 2.418 372 N HA 0.273 4.713 4.740 -0.499 0.000 0.283 372 N C 0.474 175.963 175.510 -0.035 0.000 1.267 372 N CA -0.280 52.748 53.050 -0.037 0.000 0.975 372 N CB 0.233 38.701 38.487 -0.032 0.000 1.167 372 N HN 0.717 nan 8.380 nan 0.000 0.581 373 E N -1.032 119.149 120.200 -0.031 0.000 2.333 373 E HA -0.113 3.937 4.350 -0.499 0.000 0.198 373 E C 0.435 177.020 176.600 -0.025 0.000 1.007 373 E CA 1.004 57.387 56.400 -0.029 0.000 0.845 373 E CB -0.107 29.578 29.700 -0.026 0.000 0.766 373 E HN 0.571 nan 8.360 nan 0.000 0.507 374 K N -0.793 119.593 120.400 -0.023 0.000 2.387 374 K HA 0.225 4.246 4.320 -0.499 0.000 0.198 374 K C 0.979 177.567 176.600 -0.020 0.000 1.022 374 K CA 0.501 56.777 56.287 -0.020 0.000 1.128 374 K CB 0.851 33.341 32.500 -0.017 0.000 0.853 374 K HN 0.162 nan 8.250 nan 0.000 0.523 375 G N 2.031 110.816 108.800 -0.024 0.000 2.159 375 G HA2 -0.291 3.369 3.960 -0.499 0.000 0.256 375 G HA3 -0.291 3.369 3.960 -0.499 0.000 0.256 375 G C -0.383 174.505 174.900 -0.021 0.000 0.977 375 G CA 0.026 45.112 45.100 -0.022 0.000 0.652 375 G HN 0.437 nan 8.290 nan 0.000 0.531 376 E N 1.016 121.202 120.200 -0.023 0.000 2.343 376 E HA 0.396 4.446 4.350 -0.499 0.000 0.269 376 E C -0.277 176.304 176.600 -0.032 0.000 1.047 376 E CA -0.711 55.675 56.400 -0.024 0.000 0.874 376 E CB 0.632 30.318 29.700 -0.023 0.000 1.033 376 E HN 0.229 nan 8.360 nan 0.000 0.409 377 D N 1.310 121.690 120.400 -0.034 0.000 2.455 377 D HA 0.108 4.448 4.640 -0.499 0.000 0.241 377 D C -0.821 175.448 176.300 -0.051 0.000 1.138 377 D CA 0.321 54.293 54.000 -0.047 0.000 0.877 377 D CB 0.903 41.672 40.800 -0.051 0.000 1.187 377 D HN -0.039 nan 8.370 nan 0.000 0.451 378 V N 2.715 122.593 119.914 -0.060 0.000 2.686 378 V HA 0.142 3.963 4.120 -0.499 0.000 0.306 378 V C 0.173 176.218 176.094 -0.081 0.000 1.065 378 V CA -1.002 61.260 62.300 -0.062 0.000 0.894 378 V CB 2.244 34.035 31.823 -0.053 0.000 1.004 378 V HN 0.266 nan 8.190 nan 0.000 0.424 379 V N 4.935 124.794 119.914 -0.091 0.000 2.673 379 V HA 0.061 3.881 4.120 -0.499 0.000 0.303 379 V C 0.343 176.365 176.094 -0.119 0.000 1.046 379 V CA 0.006 62.231 62.300 -0.125 0.000 1.126 379 V CB 1.493 33.234 31.823 -0.136 0.000 0.934 379 V HN 0.627 nan 8.190 nan 0.000 0.487 380 V N 8.174 127.999 119.914 -0.147 0.000 2.387 380 V HA 0.184 4.005 4.120 -0.499 0.000 0.260 380 V C -2.045 173.963 176.094 -0.144 0.000 1.054 380 V CA -1.548 60.677 62.300 -0.124 0.000 0.967 380 V CB 0.631 32.384 31.823 -0.117 0.000 1.036 380 V HN 0.796 nan 8.190 nan 0.000 0.481 381 P HA 0.238 nan 4.420 nan 0.000 0.265 381 P C 1.090 178.373 177.300 -0.027 0.000 1.193 381 P CA 1.222 64.285 63.100 -0.062 0.000 0.765 381 P CB 0.776 32.464 31.700 -0.020 0.000 0.823 382 G N 1.308 110.123 108.800 0.025 0.000 2.253 382 G HA2 -0.245 3.416 3.960 -0.499 0.000 0.251 382 G HA3 -0.245 3.416 3.960 -0.499 0.000 0.251 382 G C -0.275 174.754 174.900 0.214 0.000 0.998 382 G CA -0.013 45.184 45.100 0.162 0.000 0.621 382 G HN 0.587 nan 8.290 nan 0.000 0.524 383 L N 0.548 121.757 121.223 -0.024 0.000 2.331 383 L HA 0.926 4.966 4.340 -0.499 0.000 0.275 383 L C -0.612 176.094 176.870 -0.273 0.000 1.022 383 L CA -1.179 53.663 54.840 0.003 0.000 0.812 383 L CB 1.081 43.111 42.059 -0.049 0.000 1.257 383 L HN 0.095 nan 8.230 nan 0.000 0.435 384 F N 2.569 122.506 119.950 -0.023 0.000 2.645 384 F HA 0.829 5.056 4.527 -0.499 0.000 0.310 384 F C -0.257 175.523 175.800 -0.034 0.000 1.102 384 F CA -0.537 57.447 58.000 -0.028 0.000 0.952 384 F CB 2.082 41.072 39.000 -0.016 0.000 1.326 384 F HN 0.605 nan 8.300 nan 0.000 0.456 385 A N 1.059 123.957 122.820 0.131 0.000 2.520 385 A HA 0.888 4.909 4.320 -0.499 0.000 0.298 385 A C -1.686 175.930 177.584 0.053 0.000 1.051 385 A CA -0.775 51.297 52.037 0.059 0.000 0.690 385 A CB 1.761 20.760 19.000 -0.002 0.000 1.281 385 A HN 1.232 nan 8.150 nan 0.000 0.402 386 V N -0.812 119.132 119.914 0.050 0.000 2.888 386 V HA 0.999 4.820 4.120 -0.499 0.000 0.309 386 V C 0.358 176.493 176.094 0.068 0.000 1.114 386 V CA 0.174 62.518 62.300 0.073 0.000 0.940 386 V CB 0.805 32.696 31.823 0.113 0.000 1.021 386 V HN 2.945 nan 8.190 nan 0.000 0.426 387 G N 2.182 111.042 108.800 0.101 0.000 2.587 387 G HA2 -0.186 3.475 3.960 -0.499 0.000 0.212 387 G HA3 -0.186 3.475 3.960 -0.499 0.000 0.212 387 G C 0.492 175.454 174.900 0.103 0.000 1.327 387 G CA 0.720 45.895 45.100 0.125 0.000 0.898 387 G HN 1.393 nan 8.290 nan 0.000 0.551 388 E N -0.864 119.397 120.200 0.101 0.000 2.171 388 E HA -0.189 3.862 4.350 -0.499 0.000 0.197 388 E C 2.483 179.018 176.600 -0.109 0.000 0.997 388 E CA 1.736 58.130 56.400 -0.010 0.000 0.810 388 E CB -0.133 29.513 29.700 -0.089 0.000 0.738 388 E HN 0.498 nan 8.360 nan 0.000 0.467 389 I N 0.522 121.054 120.570 -0.063 0.000 2.614 389 I HA -0.042 3.829 4.170 -0.499 0.000 0.258 389 I C 0.666 176.737 176.117 -0.077 0.000 1.189 389 I CA 0.529 61.783 61.300 -0.077 0.000 1.462 389 I CB -0.467 37.506 38.000 -0.045 0.000 1.092 389 I HN 0.068 nan 8.210 nan 0.000 0.442 390 A N -0.638 122.147 122.820 -0.058 0.000 2.264 390 A HA 0.514 4.535 4.320 -0.499 0.000 0.304 390 A C -0.343 177.184 177.584 -0.094 0.000 1.100 390 A CA -0.285 51.704 52.037 -0.079 0.000 0.839 390 A CB 0.676 19.625 19.000 -0.084 0.000 1.121 390 A HN 0.387 nan 8.150 nan 0.000 0.496 391 C N 2.634 121.856 119.300 -0.130 0.000 2.801 391 C HA 0.477 4.638 4.460 -0.499 0.000 0.296 391 C C 1.137 176.002 174.990 -0.209 0.000 1.054 391 C CA -0.389 58.548 59.018 -0.136 0.000 1.442 391 C CB -0.988 26.676 27.740 -0.126 0.000 1.860 391 C HN 0.642 nan 8.230 nan 0.000 0.459 392 V N 3.360 123.116 119.914 -0.263 0.000 2.453 392 V HA 0.019 3.839 4.120 -0.499 0.000 0.247 392 V C 1.480 177.420 176.094 -0.258 0.000 1.048 392 V CA 1.842 63.934 62.300 -0.348 0.000 1.049 392 V CB -0.258 31.196 31.823 -0.614 0.000 0.672 392 V HN 0.856 nan 8.190 nan 0.000 0.457 393 S N 0.050 115.645 115.700 -0.175 0.000 2.456 393 S HA 0.361 4.532 4.470 -0.499 0.000 0.316 393 S C 0.382 174.909 174.600 -0.121 0.000 1.089 393 S CA -0.265 57.855 58.200 -0.134 0.000 1.101 393 S CB 1.798 65.001 63.200 0.005 0.000 0.995 393 S HN 0.263 nan 8.310 nan 0.000 0.468 394 V N 2.720 122.453 119.914 -0.302 0.000 3.647 394 V HA 0.368 4.189 4.120 -0.499 0.000 0.279 394 V C 0.940 176.844 176.094 -0.316 0.000 1.314 394 V CA 0.424 62.539 62.300 -0.309 0.000 1.125 394 V CB -0.879 30.774 31.823 -0.284 0.000 0.907 394 V HN 0.937 nan 8.190 nan 0.000 0.434 395 H N 0.478 119.591 119.070 0.072 0.000 3.046 395 H HA 0.451 4.708 4.556 -0.498 0.000 0.262 395 H C 1.822 177.190 175.328 0.066 0.000 1.044 395 H CA 0.263 56.353 56.048 0.070 0.000 1.209 395 H CB 0.682 30.503 29.762 0.098 0.000 1.507 395 H HN 0.510 nan 8.280 nan 0.000 0.507 396 G N 1.660 110.556 108.800 0.160 0.000 2.672 396 G HA2 -0.413 3.248 3.960 -0.499 0.000 0.324 396 G HA3 -0.413 3.248 3.960 -0.499 0.000 0.324 396 G C 1.203 176.179 174.900 0.126 0.000 1.286 396 G CA 1.519 46.697 45.100 0.130 0.000 1.004 396 G HN 0.578 nan 8.290 nan 0.000 0.548 397 A N 0.202 123.079 122.820 0.095 0.000 2.308 397 A HA 0.561 4.582 4.320 -0.499 0.000 0.217 397 A C 0.728 178.375 177.584 0.103 0.000 1.216 397 A CA 1.504 53.600 52.037 0.097 0.000 0.864 397 A CB -0.316 18.739 19.000 0.093 0.000 0.902 397 A HN 1.758 nan 8.150 nan 0.000 0.499 398 N N -0.875 117.888 118.700 0.104 0.000 2.999 398 N HA 0.163 4.603 4.740 -0.499 0.000 0.244 398 N C -1.004 174.557 175.510 0.084 0.000 1.106 398 N CA -0.433 52.671 53.050 0.091 0.000 1.018 398 N CB 0.842 39.373 38.487 0.073 0.000 1.600 398 N HN 0.250 nan 8.380 nan 0.000 0.621 399 R N 3.784 124.313 120.500 0.048 0.000 2.490 399 R HA 0.460 4.500 4.340 -0.499 0.000 0.278 399 R C -0.543 175.746 176.300 -0.019 0.000 1.069 399 R CA -0.476 55.607 56.100 -0.030 0.000 1.080 399 R CB 0.618 30.678 30.300 -0.400 0.000 1.030 399 R HN 0.546 nan 8.270 nan 0.000 0.491 400 L N 3.334 124.583 121.223 0.044 0.000 2.349 400 L HA 0.266 4.306 4.340 -0.499 0.000 0.275 400 L C 1.088 178.012 176.870 0.090 0.000 1.115 400 L CA -0.418 54.469 54.840 0.078 0.000 0.820 400 L CB 1.148 43.296 42.059 0.149 0.000 1.135 400 L HN 0.865 nan 8.230 nan 0.000 0.445 401 G N 1.254 110.161 108.800 0.178 0.000 2.368 401 G HA2 0.283 3.944 3.960 -0.499 0.000 0.233 401 G HA3 0.283 3.944 3.960 -0.499 0.000 0.233 401 G C 1.011 176.042 174.900 0.218 0.000 1.267 401 G CA 0.422 45.763 45.100 0.402 0.000 0.873 401 G HN 1.073 nan 8.290 nan 0.000 0.539 402 G N 1.942 110.750 108.800 0.013 0.000 2.320 402 G HA2 -0.337 3.324 3.960 -0.499 0.000 0.242 402 G HA3 -0.337 3.324 3.960 -0.499 0.000 0.242 402 G C 1.288 176.176 174.900 -0.020 0.000 1.033 402 G CA 0.776 45.774 45.100 -0.170 0.000 0.620 402 G HN 0.705 nan 8.290 nan 0.000 0.517 403 N N 0.649 119.382 118.700 0.054 0.000 2.457 403 N HA 0.125 4.566 4.740 -0.499 0.000 0.180 403 N C 2.136 177.739 175.510 0.155 0.000 1.050 403 N CA 1.417 54.561 53.050 0.157 0.000 0.906 403 N CB -0.018 38.622 38.487 0.256 0.000 0.968 403 N HN 0.487 nan 8.380 nan 0.000 0.445 404 S N 0.177 115.861 115.700 -0.027 0.000 2.357 404 S HA 0.099 4.270 4.470 -0.499 0.000 0.221 404 S C 1.821 176.479 174.600 0.096 0.000 1.031 404 S CA 0.507 58.697 58.200 -0.016 0.000 0.982 404 S CB -0.123 62.960 63.200 -0.194 0.000 0.853 404 S HN 0.210 nan 8.310 nan 0.000 0.458 405 L N 0.947 122.204 121.223 0.057 0.000 2.083 405 L HA -0.067 3.974 4.340 -0.499 0.000 0.209 405 L C 2.520 179.440 176.870 0.083 0.000 1.083 405 L CA 0.926 55.803 54.840 0.062 0.000 0.752 405 L CB -0.592 41.485 42.059 0.030 0.000 0.899 405 L HN 0.363 nan 8.230 nan 0.000 0.433 406 L N 0.518 121.797 121.223 0.093 0.000 2.042 406 L HA -0.261 3.780 4.340 -0.499 0.000 0.210 406 L C 2.179 179.122 176.870 0.121 0.000 1.076 406 L CA 2.103 57.001 54.840 0.096 0.000 0.749 406 L CB -0.643 41.494 42.059 0.131 0.000 0.893 406 L HN 0.280 nan 8.230 nan 0.000 0.432 407 D N -0.568 119.963 120.400 0.219 0.000 2.092 407 D HA -0.234 4.107 4.640 -0.499 0.000 0.193 407 D C 2.172 178.659 176.300 0.312 0.000 0.994 407 D CA 2.123 56.340 54.000 0.361 0.000 0.828 407 D CB -0.324 40.757 40.800 0.469 0.000 0.963 407 D HN 0.446 nan 8.370 nan 0.000 0.450 408 L N -0.167 121.188 121.223 0.221 0.000 2.021 408 L HA -0.214 3.827 4.340 -0.499 0.000 0.215 408 L C 2.771 179.712 176.870 0.119 0.000 1.074 408 L CA 1.181 56.119 54.840 0.164 0.000 0.760 408 L CB -0.727 41.398 42.059 0.110 0.000 0.889 408 L HN 0.047 nan 8.230 nan 0.000 0.433 409 V N -1.030 118.930 119.914 0.076 0.000 2.346 409 V HA -0.172 3.649 4.120 -0.499 0.000 0.244 409 V C 2.397 178.484 176.094 -0.012 0.000 1.037 409 V CA 1.214 63.531 62.300 0.027 0.000 1.029 409 V CB -0.006 31.825 31.823 0.012 0.000 0.663 409 V HN 0.166 nan 8.190 nan 0.000 0.454 410 V N -0.487 119.383 119.914 -0.073 0.000 2.295 410 V HA -0.227 3.594 4.120 -0.499 0.000 0.246 410 V C 2.181 178.117 176.094 -0.263 0.000 1.049 410 V CA 2.220 64.374 62.300 -0.244 0.000 1.024 410 V CB -0.694 30.860 31.823 -0.449 0.000 0.648 410 V HN 0.468 nan 8.190 nan 0.000 0.447 411 F N 0.907 120.929 119.950 0.120 0.000 2.416 411 F HA 0.187 4.414 4.527 -0.500 0.000 0.296 411 F C 2.316 178.162 175.800 0.078 0.000 1.099 411 F CA 0.877 58.939 58.000 0.103 0.000 1.427 411 F CB -1.194 37.851 39.000 0.074 0.000 1.079 411 F HN 0.159 nan 8.300 nan 0.000 0.536 412 G N -0.142 108.768 108.800 0.184 0.000 2.421 412 G HA2 -0.245 3.416 3.960 -0.499 0.000 0.216 412 G HA3 -0.245 3.416 3.960 -0.499 0.000 0.216 412 G C 1.842 176.789 174.900 0.079 0.000 1.171 412 G CA 0.587 45.754 45.100 0.111 0.000 0.775 412 G HN 0.211 nan 8.290 nan 0.000 0.543 413 R N 0.411 120.944 120.500 0.056 0.000 2.081 413 R HA -0.000 4.041 4.340 -0.499 0.000 0.235 413 R C 2.876 179.222 176.300 0.077 0.000 1.131 413 R CA 1.399 57.519 56.100 0.034 0.000 0.960 413 R CB -0.312 29.989 30.300 0.002 0.000 0.856 413 R HN 0.316 nan 8.270 nan 0.000 0.436 414 A N 0.533 123.433 122.820 0.134 0.000 1.898 414 A HA -0.067 3.953 4.320 -0.499 0.000 0.216 414 A C 2.310 180.054 177.584 0.267 0.000 1.181 414 A CA 1.500 53.681 52.037 0.240 0.000 0.620 414 A CB -0.657 18.491 19.000 0.247 0.000 0.819 414 A HN 0.501 nan 8.150 nan 0.000 0.442 415 A N -0.432 122.505 122.820 0.194 0.000 1.940 415 A HA 0.078 4.098 4.320 -0.499 0.000 0.219 415 A C 2.354 179.979 177.584 0.067 0.000 1.176 415 A CA 2.040 54.167 52.037 0.151 0.000 0.631 415 A CB -1.267 17.802 19.000 0.115 0.000 0.814 415 A HN 0.685 nan 8.150 nan 0.000 0.446 416 G N -0.416 108.406 108.800 0.037 0.000 2.394 416 G HA2 -0.081 3.580 3.960 -0.499 0.000 0.214 416 G HA3 -0.081 3.580 3.960 -0.499 0.000 0.214 416 G C 1.530 176.415 174.900 -0.025 0.000 1.176 416 G CA 0.815 45.905 45.100 -0.017 0.000 0.786 416 G HN 0.408 nan 8.290 nan 0.000 0.533 417 L N -0.387 120.819 121.223 -0.029 0.000 2.089 417 L HA -0.166 3.874 4.340 -0.499 0.000 0.213 417 L C 2.383 179.111 176.870 -0.235 0.000 1.079 417 L CA 1.345 56.094 54.840 -0.152 0.000 0.758 417 L CB -0.269 41.657 42.059 -0.221 0.000 0.891 417 L HN 0.311 nan 8.230 nan 0.000 0.433 418 H N -2.516 116.564 119.070 0.017 0.000 2.586 418 H HA 0.044 4.301 4.556 -0.499 0.000 0.273 418 H C 1.608 176.954 175.328 0.030 0.000 0.997 418 H CA -0.273 55.793 56.048 0.030 0.000 1.177 418 H CB 0.576 30.366 29.762 0.047 0.000 1.471 418 H HN 0.042 nan 8.280 nan 0.000 0.538 419 L N 0.733 121.993 121.223 0.061 0.000 2.042 419 L HA -0.230 3.811 4.340 -0.499 0.000 0.210 419 L C 2.071 178.949 176.870 0.015 0.000 1.076 419 L CA 1.792 56.619 54.840 -0.021 0.000 0.749 419 L CB -0.292 41.685 42.059 -0.136 0.000 0.893 419 L HN 0.344 nan 8.230 nan 0.000 0.432 420 Q N -0.937 118.870 119.800 0.011 0.000 2.050 420 Q HA -0.266 3.775 4.340 -0.499 0.000 0.202 420 Q C 2.181 178.210 176.000 0.049 0.000 0.980 420 Q CA 1.996 57.810 55.803 0.019 0.000 0.840 420 Q CB -0.125 28.615 28.738 0.003 0.000 0.898 420 Q HN 0.594 nan 8.270 nan 0.000 0.424 421 E N -0.040 120.202 120.200 0.070 0.000 2.077 421 E HA -0.143 3.907 4.350 -0.499 0.000 0.193 421 E C 2.138 178.801 176.600 0.105 0.000 0.989 421 E CA 1.321 57.774 56.400 0.087 0.000 0.800 421 E CB 0.112 29.884 29.700 0.119 0.000 0.746 421 E HN 0.138 nan 8.360 nan 0.000 0.452 422 S N 0.297 116.088 115.700 0.152 0.000 2.368 422 S HA -0.111 4.060 4.470 -0.499 0.000 0.224 422 S C 1.973 176.688 174.600 0.192 0.000 1.029 422 S CA 0.765 59.089 58.200 0.207 0.000 0.988 422 S CB -0.136 63.307 63.200 0.406 0.000 0.838 422 S HN 0.207 nan 8.310 nan 0.000 0.462 423 I N 1.572 122.237 120.570 0.157 0.000 2.286 423 I HA -0.207 3.664 4.170 -0.499 0.000 0.248 423 I C 2.615 178.779 176.117 0.079 0.000 1.115 423 I CA 1.065 62.437 61.300 0.119 0.000 1.392 423 I CB -0.381 37.662 38.000 0.071 0.000 1.065 423 I HN 0.268 nan 8.210 nan 0.000 0.418 424 A N 0.171 123.029 122.820 0.063 0.000 1.873 424 A HA -0.249 3.772 4.320 -0.499 0.000 0.215 424 A C 2.318 179.928 177.584 0.042 0.000 1.186 424 A CA 1.721 53.785 52.037 0.045 0.000 0.616 424 A CB -0.645 18.378 19.000 0.037 0.000 0.823 424 A HN 0.479 nan 8.150 nan 0.000 0.442 425 E N 0.272 120.502 120.200 0.049 0.000 2.118 425 E HA -0.310 3.741 4.350 -0.499 0.000 0.195 425 E C 2.159 178.776 176.600 0.028 0.000 0.992 425 E CA 1.638 58.059 56.400 0.035 0.000 0.804 425 E CB -0.197 29.524 29.700 0.035 0.000 0.741 425 E HN 0.886 nan 8.360 nan 0.000 0.458 426 Q N -0.156 119.669 119.800 0.042 0.000 2.389 426 Q HA 0.108 4.149 4.340 -0.499 0.000 0.204 426 Q C 0.839 176.856 176.000 0.028 0.000 0.944 426 Q CA 0.673 56.494 55.803 0.030 0.000 0.908 426 Q CB 0.256 29.019 28.738 0.043 0.000 1.002 426 Q HN 0.212 nan 8.270 nan 0.000 0.493 427 G N 0.957 109.777 108.800 0.033 0.000 2.781 427 G HA2 -0.048 3.613 3.960 -0.499 0.000 0.683 427 G HA3 -0.048 3.613 3.960 -0.499 0.000 0.683 427 G C -0.338 174.581 174.900 0.031 0.000 1.390 427 G CA -0.491 44.625 45.100 0.027 0.000 0.850 427 G HN 0.794 nan 8.290 nan 0.000 0.557 428 A N 0.019 122.855 122.820 0.026 0.000 2.540 428 A HA 0.544 4.564 4.320 -0.499 0.000 0.239 428 A C 0.851 178.452 177.584 0.029 0.000 1.061 428 A CA 0.553 52.606 52.037 0.027 0.000 0.758 428 A CB -0.070 18.941 19.000 0.020 0.000 0.991 428 A HN 1.368 nan 8.150 nan 0.000 0.502 429 L N 2.429 123.673 121.223 0.036 0.000 2.322 429 L HA 0.505 4.545 4.340 -0.499 0.000 0.279 429 L C 0.892 177.784 176.870 0.036 0.000 1.036 429 L CA -0.695 54.168 54.840 0.038 0.000 0.807 429 L CB 1.128 43.218 42.059 0.052 0.000 1.226 429 L HN 0.842 nan 8.230 nan 0.000 0.433 430 R N 0.995 121.513 120.500 0.031 0.000 2.594 430 R HA 0.091 4.132 4.340 -0.499 0.000 0.272 430 R C -0.652 175.673 176.300 0.042 0.000 1.074 430 R CA -0.638 55.480 56.100 0.029 0.000 1.105 430 R CB 0.642 30.955 30.300 0.021 0.000 1.008 430 R HN 0.526 nan 8.270 nan 0.000 0.472 431 D N 1.561 121.987 120.400 0.043 0.000 2.423 431 D HA 0.069 4.409 4.640 -0.499 0.000 0.238 431 D C -0.276 176.059 176.300 0.059 0.000 1.142 431 D CA 0.434 54.471 54.000 0.063 0.000 0.884 431 D CB 0.953 41.786 40.800 0.055 0.000 1.199 431 D HN 0.607 nan 8.370 nan 0.000 0.438 432 A N 1.863 124.734 122.820 0.085 0.000 2.498 432 A HA 0.374 4.394 4.320 -0.499 0.000 0.239 432 A C 0.732 178.323 177.584 0.012 0.000 1.068 432 A CA -0.262 51.791 52.037 0.026 0.000 0.766 432 A CB 0.092 19.073 19.000 -0.032 0.000 1.003 432 A HN 0.528 nan 8.150 nan 0.000 0.497 433 S N 0.769 116.459 115.700 -0.016 0.000 2.707 433 S HA 0.268 4.439 4.470 -0.499 0.000 0.276 433 S C 0.902 175.480 174.600 -0.036 0.000 1.179 433 S CA 0.304 58.496 58.200 -0.014 0.000 0.992 433 S CB 0.985 64.177 63.200 -0.013 0.000 1.030 433 S HN 0.799 nan 8.310 nan 0.000 0.554 434 E N 0.435 120.621 120.200 -0.023 0.000 2.110 434 E HA -0.164 3.886 4.350 -0.499 0.000 0.193 434 E C 1.928 178.501 176.600 -0.045 0.000 0.988 434 E CA 1.581 57.963 56.400 -0.031 0.000 0.804 434 E CB -0.261 29.432 29.700 -0.012 0.000 0.745 434 E HN 0.809 nan 8.360 nan 0.000 0.458 435 S N -0.075 115.602 115.700 -0.037 0.000 2.470 435 S HA -0.083 4.088 4.470 -0.499 0.000 0.225 435 S C 1.443 176.011 174.600 -0.052 0.000 1.006 435 S CA 0.683 58.860 58.200 -0.038 0.000 0.934 435 S CB 0.007 63.192 63.200 -0.026 0.000 0.778 435 S HN 0.186 nan 8.310 nan 0.000 0.517 436 D N 2.047 122.410 120.400 -0.063 0.000 2.116 436 D HA -0.086 4.254 4.640 -0.499 0.000 0.193 436 D C 2.078 178.301 176.300 -0.128 0.000 0.998 436 D CA 1.264 55.215 54.000 -0.081 0.000 0.836 436 D CB -0.479 40.272 40.800 -0.082 0.000 0.951 436 D HN 0.331 nan 8.370 nan 0.000 0.449 437 V N 0.789 120.594 119.914 -0.182 0.000 2.307 437 V HA -0.202 3.618 4.120 -0.499 0.000 0.245 437 V C 2.432 178.453 176.094 -0.122 0.000 1.045 437 V CA 1.527 63.679 62.300 -0.247 0.000 1.024 437 V CB -0.395 31.237 31.823 -0.318 0.000 0.651 437 V HN 0.062 nan 8.190 nan 0.000 0.449 438 E N 0.715 120.869 120.200 -0.077 0.000 2.130 438 E HA -0.218 3.832 4.350 -0.499 0.000 0.196 438 E C 2.126 178.709 176.600 -0.028 0.000 0.998 438 E CA 1.641 58.018 56.400 -0.038 0.000 0.806 438 E CB -0.516 29.168 29.700 -0.027 0.000 0.738 438 E HN 0.540 nan 8.360 nan 0.000 0.459 439 A N -0.263 122.535 122.820 -0.037 0.000 1.902 439 A HA -0.183 3.838 4.320 -0.499 0.000 0.217 439 A C 2.400 179.976 177.584 -0.013 0.000 1.181 439 A CA 1.834 53.856 52.037 -0.024 0.000 0.623 439 A CB -0.763 18.220 19.000 -0.029 0.000 0.818 439 A HN 0.268 nan 8.150 nan 0.000 0.443 440 S N -0.394 115.293 115.700 -0.022 0.000 2.440 440 S HA -0.092 4.078 4.470 -0.499 0.000 0.240 440 S C 1.466 176.087 174.600 0.034 0.000 1.014 440 S CA 1.352 59.554 58.200 0.004 0.000 0.980 440 S CB -0.348 62.845 63.200 -0.011 0.000 0.775 440 S HN 0.533 nan 8.310 nan 0.000 0.499 441 L N 0.528 121.767 121.223 0.027 0.000 2.567 441 L HA 0.088 4.128 4.340 -0.499 0.000 0.225 441 L C 1.564 178.463 176.870 0.050 0.000 1.119 441 L CA 0.104 54.973 54.840 0.049 0.000 0.871 441 L CB -0.304 41.778 42.059 0.039 0.000 1.036 441 L HN 0.094 nan 8.230 nan 0.000 0.459 442 D N 0.904 121.322 120.400 0.031 0.000 2.116 442 D HA -0.229 4.112 4.640 -0.499 0.000 0.193 442 D C 2.161 178.479 176.300 0.030 0.000 0.998 442 D CA 1.270 55.282 54.000 0.018 0.000 0.836 442 D CB 0.038 40.839 40.800 0.002 0.000 0.951 442 D HN 0.184 nan 8.370 nan 0.000 0.449 443 R N 0.019 120.553 120.500 0.057 0.000 2.073 443 R HA -0.144 3.897 4.340 -0.499 0.000 0.234 443 R C 2.354 178.771 176.300 0.195 0.000 1.134 443 R CA 0.890 57.046 56.100 0.094 0.000 0.952 443 R CB -0.426 29.954 30.300 0.134 0.000 0.850 443 R HN 0.133 nan 8.270 nan 0.000 0.433 444 L N 1.481 122.820 121.223 0.192 0.000 2.046 444 L HA -0.172 3.869 4.340 -0.499 0.000 0.208 444 L C 1.479 178.452 176.870 0.172 0.000 1.077 444 L CA 1.875 56.841 54.840 0.211 0.000 0.747 444 L CB -0.660 41.483 42.059 0.141 0.000 0.896 444 L HN 0.201 nan 8.230 nan 0.000 0.432 445 N N -0.205 118.555 118.700 0.099 0.000 2.166 445 N HA -0.200 4.241 4.740 -0.499 0.000 0.186 445 N C 1.987 177.524 175.510 0.044 0.000 1.019 445 N CA 1.236 54.324 53.050 0.063 0.000 0.856 445 N CB -0.397 38.110 38.487 0.033 0.000 0.993 445 N HN 0.422 nan 8.380 nan 0.000 0.426 446 R N -0.008 120.493 120.500 0.003 0.000 2.080 446 R HA -0.141 3.900 4.340 -0.499 0.000 0.236 446 R C 1.983 178.246 176.300 -0.061 0.000 1.137 446 R CA 1.493 57.539 56.100 -0.091 0.000 0.943 446 R CB -0.323 29.848 30.300 -0.214 0.000 0.846 446 R HN 0.267 nan 8.270 nan 0.000 0.431 447 W N 1.204 122.496 121.300 -0.013 0.000 2.338 447 W HA -0.166 4.194 4.660 -0.499 0.000 0.304 447 W C 2.084 178.591 176.519 -0.020 0.000 1.212 447 W CA 0.754 58.087 57.345 -0.019 0.000 1.264 447 W CB -0.407 29.037 29.460 -0.027 0.000 1.142 447 W HN 0.216 nan 8.180 nan 0.000 0.512 448 N N -0.041 118.786 118.700 0.211 0.000 2.289 448 N HA -0.138 4.302 4.740 -0.499 0.000 0.184 448 N C 0.760 176.315 175.510 0.074 0.000 1.016 448 N CA 1.382 54.501 53.050 0.116 0.000 0.872 448 N CB -0.590 37.945 38.487 0.080 0.000 0.973 448 N HN 0.356 nan 8.380 nan 0.000 0.433 449 N N -0.377 118.355 118.700 0.054 0.000 2.282 449 N HA 0.014 4.455 4.740 -0.499 0.000 0.185 449 N C -0.174 175.344 175.510 0.013 0.000 1.099 449 N CA -0.096 52.968 53.050 0.023 0.000 0.878 449 N CB 0.291 38.781 38.487 0.005 0.000 0.993 449 N HN 0.065 nan 8.380 nan 0.000 0.481 450 N N 1.501 120.212 118.700 0.018 0.000 2.415 450 N HA 0.128 4.569 4.740 -0.499 0.000 0.246 450 N C 0.193 175.727 175.510 0.041 0.000 1.078 450 N CA 0.108 53.159 53.050 0.002 0.000 0.942 450 N CB 0.506 38.957 38.487 -0.060 0.000 1.140 450 N HN 0.075 nan 8.380 nan 0.000 0.501 451 R N 2.341 122.856 120.500 0.025 0.000 2.221 451 R HA 0.198 4.238 4.340 -0.499 0.000 0.195 451 R C 0.184 176.498 176.300 0.024 0.000 0.956 451 R CA 0.404 56.522 56.100 0.031 0.000 1.064 451 R CB 0.228 30.541 30.300 0.021 0.000 1.049 451 R HN 0.520 nan 8.270 nan 0.000 0.534 452 N N 0.376 119.082 118.700 0.011 0.000 2.187 452 N HA 0.088 4.529 4.740 -0.499 0.000 0.212 452 N C 0.710 176.222 175.510 0.003 0.000 1.152 452 N CA 0.128 53.182 53.050 0.007 0.000 0.872 452 N CB 1.026 39.514 38.487 0.002 0.000 1.025 452 N HN 0.089 nan 8.380 nan 0.000 0.514 453 G N 0.367 109.167 108.800 -0.001 0.000 2.525 453 G HA2 0.091 3.752 3.960 -0.499 0.000 0.276 453 G HA3 0.091 3.752 3.960 -0.499 0.000 0.276 453 G C 0.238 175.142 174.900 0.006 0.000 1.388 453 G CA -0.369 44.723 45.100 -0.013 0.000 1.050 453 G HN 0.069 nan 8.290 nan 0.000 0.520 454 E N -0.268 119.932 120.200 0.001 0.000 2.409 454 E HA 0.044 4.095 4.350 -0.499 0.000 0.257 454 E C -0.684 175.946 176.600 0.049 0.000 1.150 454 E CA -0.247 56.164 56.400 0.018 0.000 0.942 454 E CB 0.740 30.445 29.700 0.009 0.000 0.979 454 E HN 0.380 nan 8.360 nan 0.000 0.447 455 D N 1.894 122.322 120.400 0.046 0.000 2.325 455 D HA 0.043 4.383 4.640 -0.499 0.000 0.251 455 D C -1.624 174.720 176.300 0.072 0.000 1.196 455 D CA -2.208 51.825 54.000 0.056 0.000 0.866 455 D CB 0.985 41.807 40.800 0.036 0.000 1.101 455 D HN 0.049 nan 8.370 nan 0.000 0.476 456 P HA -0.114 nan 4.420 nan 0.000 0.223 456 P C 1.503 178.840 177.300 0.062 0.000 1.151 456 P CA 0.276 63.450 63.100 0.124 0.000 0.787 456 P CB 0.392 32.187 31.700 0.159 0.000 0.788 457 V N 1.055 120.991 119.914 0.037 0.000 2.343 457 V HA -0.222 3.599 4.120 -0.499 0.000 0.247 457 V C 2.782 178.889 176.094 0.022 0.000 1.051 457 V CA 2.248 64.559 62.300 0.020 0.000 1.036 457 V CB -1.679 30.151 31.823 0.011 0.000 0.654 457 V HN 0.120 nan 8.190 nan 0.000 0.451 458 A N -0.378 122.457 122.820 0.026 0.000 1.972 458 A HA -0.135 3.885 4.320 -0.499 0.000 0.219 458 A C 2.178 179.775 177.584 0.021 0.000 1.169 458 A CA 1.681 53.731 52.037 0.021 0.000 0.635 458 A CB -0.493 18.520 19.000 0.020 0.000 0.810 458 A HN 0.521 nan 8.150 nan 0.000 0.446 459 I N -1.101 119.488 120.570 0.032 0.000 2.233 459 I HA -0.209 3.661 4.170 -0.499 0.000 0.243 459 I C 2.694 178.825 176.117 0.024 0.000 1.093 459 I CA 1.495 62.815 61.300 0.033 0.000 1.380 459 I CB -0.298 37.736 38.000 0.056 0.000 1.067 459 I HN 0.384 nan 8.210 nan 0.000 0.413 460 R N 1.622 122.138 120.500 0.027 0.000 2.096 460 R HA -0.192 3.848 4.340 -0.499 0.000 0.235 460 R C 2.164 178.463 176.300 -0.001 0.000 1.127 460 R CA 1.563 57.671 56.100 0.013 0.000 0.968 460 R CB -0.034 30.274 30.300 0.014 0.000 0.861 460 R HN 0.293 nan 8.270 nan 0.000 0.440 461 K N -0.140 120.261 120.400 0.002 0.000 2.057 461 K HA -0.039 3.982 4.320 -0.499 0.000 0.206 461 K C 2.132 178.718 176.600 -0.024 0.000 1.050 461 K CA 1.193 57.476 56.287 -0.005 0.000 0.935 461 K CB -0.087 32.415 32.500 0.003 0.000 0.715 461 K HN 0.217 nan 8.250 nan 0.000 0.439 462 A N 1.861 124.670 122.820 -0.018 0.000 1.902 462 A HA -0.151 3.870 4.320 -0.499 0.000 0.217 462 A C 2.132 179.694 177.584 -0.037 0.000 1.181 462 A CA 1.117 53.138 52.037 -0.027 0.000 0.623 462 A CB -0.654 18.341 19.000 -0.007 0.000 0.818 462 A HN 0.317 nan 8.150 nan 0.000 0.443 463 L N -0.772 120.434 121.223 -0.028 0.000 2.012 463 L HA -0.286 3.755 4.340 -0.499 0.000 0.210 463 L C 2.674 179.494 176.870 -0.084 0.000 1.073 463 L CA 2.183 56.998 54.840 -0.042 0.000 0.748 463 L CB -0.386 41.653 42.059 -0.033 0.000 0.891 463 L HN 0.487 nan 8.230 nan 0.000 0.431 464 Q N -0.612 119.139 119.800 -0.081 0.000 2.083 464 Q HA -0.257 3.784 4.340 -0.499 0.000 0.198 464 Q C 2.111 178.052 176.000 -0.098 0.000 0.969 464 Q CA 1.776 57.519 55.803 -0.101 0.000 0.838 464 Q CB -0.081 28.628 28.738 -0.048 0.000 0.900 464 Q HN 0.574 nan 8.270 nan 0.000 0.436 465 E N 0.047 120.180 120.200 -0.112 0.000 2.106 465 E HA -0.209 3.841 4.350 -0.499 0.000 0.192 465 E C 2.043 178.486 176.600 -0.262 0.000 0.984 465 E CA 0.970 57.235 56.400 -0.225 0.000 0.806 465 E CB -0.077 29.465 29.700 -0.263 0.000 0.750 465 E HN 0.367 nan 8.360 nan 0.000 0.458 466 C N 0.701 119.923 119.300 -0.130 0.000 2.432 466 C HA -0.133 4.028 4.460 -0.499 0.000 0.277 466 C C 2.641 177.667 174.990 0.061 0.000 1.249 466 C CA 0.827 59.826 59.018 -0.031 0.000 1.725 466 C CB -0.757 26.999 27.740 0.027 0.000 2.028 466 C HN 0.502 nan 8.230 nan 0.000 0.477 467 M N 0.148 119.741 119.600 -0.011 0.000 2.175 467 M HA -0.093 4.088 4.480 -0.499 0.000 0.264 467 M C 2.074 178.453 176.300 0.131 0.000 1.063 467 M CA 1.546 56.829 55.300 -0.029 0.000 1.119 467 M CB -1.706 30.514 32.600 -0.634 0.000 1.377 467 M HN 0.481 nan 8.290 nan 0.000 0.415 468 Q N -0.108 119.779 119.800 0.145 0.000 2.119 468 Q HA -0.121 3.919 4.340 -0.499 0.000 0.201 468 Q C 1.812 178.025 176.000 0.356 0.000 0.972 468 Q CA 1.769 57.780 55.803 0.348 0.000 0.847 468 Q CB -0.217 28.689 28.738 0.280 0.000 0.903 468 Q HN 0.651 nan 8.270 nan 0.000 0.433 469 H N -1.513 117.612 119.070 0.092 0.000 2.482 469 H HA 0.139 4.397 4.556 -0.497 0.000 0.286 469 H C 0.809 176.122 175.328 -0.025 0.000 1.017 469 H CA 0.636 56.707 56.048 0.038 0.000 1.322 469 H CB 0.600 30.376 29.762 0.024 0.000 1.426 469 H HN 0.268 nan 8.280 nan 0.000 0.546 470 N N -0.347 118.375 118.700 0.036 0.000 2.257 470 N HA 0.019 4.460 4.740 -0.499 0.000 0.200 470 N C -0.250 174.840 175.510 -0.699 0.000 1.163 470 N CA 0.344 53.184 53.050 -0.350 0.000 0.891 470 N CB 0.768 38.934 38.487 -0.534 0.000 1.067 470 N HN 0.166 nan 8.380 nan 0.000 0.497 471 F N 0.089 120.137 119.950 0.163 0.000 2.815 471 F HA 0.356 4.584 4.527 -0.499 0.000 0.335 471 F C 1.127 177.130 175.800 0.337 0.000 1.179 471 F CA -0.549 57.580 58.000 0.215 0.000 1.204 471 F CB 0.244 39.340 39.000 0.161 0.000 1.050 471 F HN -0.225 nan 8.300 nan 0.000 0.510 472 S N -0.404 115.458 115.700 0.270 0.000 2.477 472 S HA 0.225 4.396 4.470 -0.499 0.000 0.261 472 S C 1.774 176.109 174.600 -0.442 0.000 1.197 472 S CA -0.030 58.135 58.200 -0.058 0.000 1.015 472 S CB 0.437 63.598 63.200 -0.065 0.000 1.077 472 S HN -0.050 nan 8.310 nan 0.000 0.505 473 V N 0.266 119.670 119.914 -0.851 0.000 2.332 473 V HA -0.013 3.808 4.120 -0.499 0.000 0.248 473 V C 0.386 176.060 176.094 -0.700 0.000 1.055 473 V CA 1.494 63.280 62.300 -0.857 0.000 1.038 473 V CB -0.762 30.546 31.823 -0.858 0.000 0.651 473 V HN 0.567 nan 8.190 nan 0.000 0.450 474 F N -0.308 119.485 119.950 -0.261 0.000 2.458 474 F HA 0.657 4.865 4.527 -0.532 0.000 0.336 474 F C 0.451 176.110 175.800 -0.235 0.000 1.114 474 F CA -0.860 56.951 58.000 -0.315 0.000 0.987 474 F CB 1.191 40.048 39.000 -0.238 0.000 1.130 474 F HN -0.125 nan 8.300 nan 0.000 0.458 475 R N 1.632 122.064 120.500 -0.115 0.000 2.892 475 R HA 0.711 4.751 4.340 -0.499 0.000 0.265 475 R C -1.124 175.157 176.300 -0.031 0.000 1.025 475 R CA -1.105 54.953 56.100 -0.070 0.000 0.982 475 R CB 2.497 32.762 30.300 -0.058 0.000 1.185 475 R HN 0.593 nan 8.270 nan 0.000 0.484 476 E N -0.538 119.676 120.200 0.023 0.000 2.331 476 E HA 0.184 4.235 4.350 -0.499 0.000 0.275 476 E C 0.215 176.855 176.600 0.067 0.000 0.895 476 E CA -0.596 55.863 56.400 0.099 0.000 0.753 476 E CB 2.215 32.005 29.700 0.150 0.000 1.216 476 E HN 0.772 nan 8.360 nan 0.000 0.434 477 G N 2.513 111.376 108.800 0.104 0.000 2.545 477 G HA2 -0.324 3.337 3.960 -0.499 0.000 0.217 477 G HA3 -0.324 3.337 3.960 -0.499 0.000 0.217 477 G C 0.859 175.808 174.900 0.082 0.000 1.218 477 G CA 1.266 46.438 45.100 0.120 0.000 0.787 477 G HN 0.485 nan 8.290 nan 0.000 0.571 478 D N 0.872 121.308 120.400 0.061 0.000 2.103 478 D HA -0.082 4.259 4.640 -0.499 0.000 0.190 478 D C 2.879 179.193 176.300 0.023 0.000 0.997 478 D CA 1.634 55.660 54.000 0.043 0.000 0.833 478 D CB -0.764 40.054 40.800 0.030 0.000 0.961 478 D HN 0.293 nan 8.370 nan 0.000 0.447 479 A N 0.508 123.327 122.820 -0.001 0.000 1.908 479 A HA -0.218 3.802 4.320 -0.499 0.000 0.218 479 A C 2.313 179.832 177.584 -0.109 0.000 1.181 479 A CA 1.806 53.817 52.037 -0.045 0.000 0.627 479 A CB -0.615 18.350 19.000 -0.058 0.000 0.818 479 A HN 0.202 nan 8.150 nan 0.000 0.445 480 M N -0.767 118.752 119.600 -0.134 0.000 2.117 480 M HA -0.159 4.022 4.480 -0.499 0.000 0.262 480 M C 2.586 178.945 176.300 0.098 0.000 1.065 480 M CA 1.446 56.656 55.300 -0.150 0.000 1.114 480 M CB -0.500 32.100 32.600 0.001 0.000 1.361 480 M HN 0.498 nan 8.290 nan 0.000 0.408 481 A N 0.330 123.208 122.820 0.097 0.000 1.908 481 A HA -0.226 3.794 4.320 -0.499 0.000 0.218 481 A C 2.131 179.778 177.584 0.105 0.000 1.181 481 A CA 2.095 54.201 52.037 0.115 0.000 0.627 481 A CB -0.613 18.447 19.000 0.099 0.000 0.818 481 A HN 0.429 nan 8.150 nan 0.000 0.445 482 K N -0.920 119.524 120.400 0.073 0.000 2.057 482 K HA -0.041 3.980 4.320 -0.499 0.000 0.206 482 K C 2.096 178.751 176.600 0.092 0.000 1.050 482 K CA 1.147 57.475 56.287 0.069 0.000 0.935 482 K CB -0.520 32.007 32.500 0.045 0.000 0.715 482 K HN 0.391 nan 8.250 nan 0.000 0.439 483 G N 1.562 110.416 108.800 0.090 0.000 2.491 483 G HA2 -0.288 3.373 3.960 -0.499 0.000 0.218 483 G HA3 -0.288 3.373 3.960 -0.499 0.000 0.218 483 G C 1.365 176.416 174.900 0.251 0.000 1.180 483 G CA 0.996 46.200 45.100 0.173 0.000 0.774 483 G HN 0.273 nan 8.290 nan 0.000 0.562 484 L N 0.690 122.083 121.223 0.283 0.000 2.013 484 L HA -0.092 3.949 4.340 -0.499 0.000 0.212 484 L C 2.689 179.658 176.870 0.165 0.000 1.073 484 L CA 2.110 57.066 54.840 0.193 0.000 0.753 484 L CB -0.531 41.618 42.059 0.151 0.000 0.890 484 L HN 0.145 nan 8.230 nan 0.000 0.432 485 E N -0.343 119.942 120.200 0.141 0.000 2.058 485 E HA -0.258 3.792 4.350 -0.499 0.000 0.194 485 E C 2.186 178.853 176.600 0.111 0.000 0.997 485 E CA 1.563 58.035 56.400 0.119 0.000 0.801 485 E CB -0.339 29.417 29.700 0.094 0.000 0.746 485 E HN 0.683 nan 8.360 nan 0.000 0.450 486 Q N 0.147 120.011 119.800 0.106 0.000 2.124 486 Q HA -0.064 3.977 4.340 -0.499 0.000 0.202 486 Q C 2.480 178.534 176.000 0.090 0.000 0.977 486 Q CA 0.824 56.678 55.803 0.085 0.000 0.850 486 Q CB -0.149 28.634 28.738 0.075 0.000 0.901 486 Q HN 0.256 nan 8.270 nan 0.000 0.429 487 L N 0.673 121.971 121.223 0.125 0.000 2.046 487 L HA -0.227 3.814 4.340 -0.499 0.000 0.208 487 L C 2.275 179.225 176.870 0.133 0.000 1.077 487 L CA 1.322 56.244 54.840 0.137 0.000 0.747 487 L CB -0.386 41.787 42.059 0.191 0.000 0.896 487 L HN 0.185 nan 8.230 nan 0.000 0.432 488 K N -0.413 120.084 120.400 0.163 0.000 2.063 488 K HA -0.154 3.866 4.320 -0.499 0.000 0.208 488 K C 2.023 178.648 176.600 0.041 0.000 1.048 488 K CA 1.276 57.625 56.287 0.102 0.000 0.928 488 K CB -0.233 32.347 32.500 0.134 0.000 0.713 488 K HN 0.120 nan 8.250 nan 0.000 0.442 489 V N 1.736 121.680 119.914 0.050 0.000 2.270 489 V HA -0.240 3.581 4.120 -0.499 0.000 0.245 489 V C 2.183 178.286 176.094 0.015 0.000 1.043 489 V CA 1.642 63.958 62.300 0.028 0.000 1.014 489 V CB -0.379 31.463 31.823 0.032 0.000 0.645 489 V HN 0.269 nan 8.190 nan 0.000 0.447 490 I N -0.289 120.295 120.570 0.024 0.000 2.264 490 I HA -0.265 3.606 4.170 -0.499 0.000 0.248 490 I C 2.755 178.872 176.117 -0.000 0.000 1.111 490 I CA 1.687 62.997 61.300 0.016 0.000 1.382 490 I CB -0.448 37.566 38.000 0.024 0.000 1.060 490 I HN 0.222 nan 8.210 nan 0.000 0.418 491 R N 0.787 121.281 120.500 -0.011 0.000 2.115 491 R HA -0.154 3.887 4.340 -0.499 0.000 0.230 491 R C 2.044 178.307 176.300 -0.062 0.000 1.111 491 R CA 1.166 57.236 56.100 -0.048 0.000 0.976 491 R CB 0.013 30.249 30.300 -0.107 0.000 0.870 491 R HN 0.315 nan 8.270 nan 0.000 0.445 492 E N 0.635 120.805 120.200 -0.049 0.000 2.072 492 E HA -0.161 3.889 4.350 -0.499 0.000 0.191 492 E C 2.081 178.650 176.600 -0.051 0.000 0.985 492 E CA 1.004 57.373 56.400 -0.052 0.000 0.801 492 E CB -0.119 29.560 29.700 -0.035 0.000 0.750 492 E HN 0.351 nan 8.360 nan 0.000 0.452 493 R N 0.404 120.884 120.500 -0.034 0.000 2.091 493 R HA -0.153 3.888 4.340 -0.499 0.000 0.238 493 R C 2.455 178.725 176.300 -0.050 0.000 1.136 493 R CA 1.081 57.163 56.100 -0.031 0.000 0.959 493 R CB -0.476 29.819 30.300 -0.009 0.000 0.856 493 R HN 0.075 nan 8.270 nan 0.000 0.437 494 L N 1.672 122.868 121.223 -0.045 0.000 2.131 494 L HA -0.160 3.881 4.340 -0.499 0.000 0.210 494 L C 1.458 178.220 176.870 -0.181 0.000 1.092 494 L CA 1.809 56.613 54.840 -0.061 0.000 0.759 494 L CB -0.203 41.851 42.059 -0.007 0.000 0.903 494 L HN -0.017 nan 8.230 nan 0.000 0.435 495 K N -0.511 119.792 120.400 -0.162 0.000 2.442 495 K HA -0.059 3.962 4.320 -0.499 0.000 0.198 495 K C 0.602 177.064 176.600 -0.231 0.000 1.044 495 K CA 0.829 56.992 56.287 -0.207 0.000 0.948 495 K CB -0.107 32.308 32.500 -0.141 0.000 0.762 495 K HN 0.373 nan 8.250 nan 0.000 0.472 496 N N -0.032 118.553 118.700 -0.192 0.000 2.291 496 N HA 0.117 4.557 4.740 -0.499 0.000 0.244 496 N C -0.907 174.507 175.510 -0.160 0.000 1.216 496 N CA -0.023 52.929 53.050 -0.163 0.000 0.879 496 N CB 1.181 39.611 38.487 -0.096 0.000 1.167 496 N HN 0.037 nan 8.380 nan 0.000 0.515 497 A N 1.330 124.001 122.820 -0.248 0.000 2.340 497 A HA 0.464 4.484 4.320 -0.499 0.000 0.268 497 A C 0.646 178.193 177.584 -0.063 0.000 1.100 497 A CA -0.518 51.449 52.037 -0.116 0.000 0.803 497 A CB 0.536 19.526 19.000 -0.017 0.000 1.043 497 A HN 0.364 nan 8.150 nan 0.000 0.488 498 R N 0.916 121.493 120.500 0.128 0.000 2.500 498 R HA 0.674 4.715 4.340 -0.499 0.000 0.277 498 R C -1.056 175.445 176.300 0.335 0.000 1.026 498 R CA -0.689 55.515 56.100 0.174 0.000 1.058 498 R CB 0.732 31.089 30.300 0.095 0.000 1.078 498 R HN 0.484 nan 8.270 nan 0.000 0.509 499 L N 2.369 123.765 121.223 0.288 0.000 2.294 499 L HA 0.321 4.361 4.340 -0.499 0.000 0.283 499 L C -0.394 176.528 176.870 0.087 0.000 1.015 499 L CA -0.091 54.864 54.840 0.190 0.000 0.831 499 L CB 1.575 43.761 42.059 0.210 0.000 1.217 499 L HN 0.719 nan 8.230 nan 0.000 0.420 500 D N 1.474 121.901 120.400 0.045 0.000 2.289 500 D HA -0.019 4.321 4.640 -0.499 0.000 0.207 500 D C -0.241 176.065 176.300 0.010 0.000 0.966 500 D CA 0.844 54.860 54.000 0.026 0.000 0.868 500 D CB 0.312 41.123 40.800 0.018 0.000 0.943 500 D HN 0.598 nan 8.370 nan 0.000 0.514 501 D N -0.473 119.923 120.400 -0.007 0.000 2.280 501 D HA 0.105 4.445 4.640 -0.499 0.000 0.236 501 D C 0.357 176.648 176.300 -0.014 0.000 1.082 501 D CA -0.040 53.951 54.000 -0.015 0.000 0.834 501 D CB 1.522 42.304 40.800 -0.029 0.000 1.100 501 D HN -0.266 nan 8.370 nan 0.000 0.486 502 T N 1.277 115.829 114.554 -0.004 0.000 3.023 502 T HA 0.100 4.150 4.350 -0.499 0.000 0.253 502 T C 0.769 175.466 174.700 -0.006 0.000 1.038 502 T CA 0.233 62.334 62.100 0.001 0.000 0.962 502 T CB -0.068 68.807 68.868 0.011 0.000 1.018 502 T HN 0.498 nan 8.240 nan 0.000 0.521 503 S N 0.755 116.450 115.700 -0.010 0.000 2.606 503 S HA 0.220 4.391 4.470 -0.499 0.000 0.257 503 S C 1.365 175.954 174.600 -0.020 0.000 1.327 503 S CA 0.176 58.371 58.200 -0.009 0.000 0.984 503 S CB 1.012 64.210 63.200 -0.002 0.000 0.941 503 S HN 0.362 nan 8.310 nan 0.000 0.576 504 S N -1.635 114.056 115.700 -0.015 0.000 2.593 504 S HA 0.236 4.407 4.470 -0.499 0.000 0.235 504 S C 0.079 174.662 174.600 -0.028 0.000 1.059 504 S CA -0.237 57.945 58.200 -0.030 0.000 0.953 504 S CB -0.406 62.782 63.200 -0.021 0.000 0.897 504 S HN 0.753 nan 8.310 nan 0.000 0.507 505 E N 1.627 121.831 120.200 0.006 0.000 2.105 505 E HA 0.415 4.466 4.350 -0.499 0.000 0.285 505 E C -0.795 175.875 176.600 0.117 0.000 1.055 505 E CA -0.729 55.699 56.400 0.046 0.000 0.843 505 E CB -0.466 29.265 29.700 0.052 0.000 1.067 505 E HN 0.265 nan 8.360 nan 0.000 0.398 506 F N 3.604 123.518 119.950 -0.061 0.000 2.738 506 F HA -0.299 3.928 4.527 -0.499 0.000 0.232 506 F C -0.306 175.454 175.800 -0.066 0.000 1.025 506 F CA 0.607 58.569 58.000 -0.063 0.000 0.895 506 F CB -0.417 38.555 39.000 -0.047 0.000 0.839 506 F HN 0.464 nan 8.300 nan 0.000 0.850 507 N N 1.204 119.868 118.700 -0.061 0.000 2.462 507 N HA 0.184 4.625 4.740 -0.499 0.000 0.242 507 N C 0.962 176.390 175.510 -0.138 0.000 1.010 507 N CA 0.313 53.328 53.050 -0.058 0.000 0.939 507 N CB 1.093 39.536 38.487 -0.073 0.000 1.127 507 N HN 0.307 nan 8.380 nan 0.000 0.509 508 T N 0.561 115.069 114.554 -0.076 0.000 3.067 508 T HA -0.068 3.983 4.350 -0.499 0.000 0.257 508 T C 1.392 175.994 174.700 -0.165 0.000 1.105 508 T CA 0.498 62.526 62.100 -0.120 0.000 1.104 508 T CB 0.103 68.965 68.868 -0.010 0.000 0.925 508 T HN 0.402 nan 8.240 nan 0.000 0.498 509 Q N 2.074 121.787 119.800 -0.144 0.000 2.050 509 Q HA -0.024 4.017 4.340 -0.499 0.000 0.202 509 Q C 2.473 178.304 176.000 -0.282 0.000 0.980 509 Q CA 1.692 57.389 55.803 -0.176 0.000 0.840 509 Q CB -0.383 28.282 28.738 -0.122 0.000 0.898 509 Q HN 0.609 nan 8.270 nan 0.000 0.424 510 R N -0.700 119.635 120.500 -0.275 0.000 2.096 510 R HA -0.156 3.885 4.340 -0.499 0.000 0.240 510 R C 2.012 178.019 176.300 -0.489 0.000 1.139 510 R CA 1.818 57.702 56.100 -0.360 0.000 0.952 510 R CB -0.459 29.689 30.300 -0.252 0.000 0.854 510 R HN 0.263 nan 8.270 nan 0.000 0.436 511 V N 1.333 120.971 119.914 -0.460 0.000 2.255 511 V HA -0.259 3.561 4.120 -0.499 0.000 0.247 511 V C 2.098 177.872 176.094 -0.534 0.000 1.051 511 V CA 2.326 64.254 62.300 -0.620 0.000 1.018 511 V CB -0.555 30.968 31.823 -0.501 0.000 0.641 511 V HN 0.455 nan 8.190 nan 0.000 0.445 512 E N -1.123 118.852 120.200 -0.374 0.000 2.204 512 E HA -0.202 3.849 4.350 -0.499 0.000 0.195 512 E C 2.211 178.591 176.600 -0.366 0.000 0.990 512 E CA 1.495 57.723 56.400 -0.288 0.000 0.821 512 E CB -0.279 29.300 29.700 -0.202 0.000 0.750 512 E HN 0.618 nan 8.360 nan 0.000 0.477 513 C N 0.339 119.284 119.300 -0.590 0.000 2.453 513 C HA -0.085 4.076 4.460 -0.499 0.000 0.277 513 C C 2.515 176.954 174.990 -0.917 0.000 1.262 513 C CA 0.357 58.760 59.018 -1.025 0.000 1.718 513 C CB -0.840 25.814 27.740 -1.810 0.000 2.031 513 C HN 0.429 nan 8.230 nan 0.000 0.480 514 L N 0.602 121.350 121.223 -0.792 0.000 2.043 514 L HA -0.241 3.800 4.340 -0.499 0.000 0.212 514 L C 2.613 179.442 176.870 -0.067 0.000 1.075 514 L CA 1.755 56.393 54.840 -0.336 0.000 0.752 514 L CB -0.779 41.059 42.059 -0.369 0.000 0.891 514 L HN 0.468 nan 8.230 nan 0.000 0.432 515 E N -0.244 119.880 120.200 -0.126 0.000 2.110 515 E HA -0.269 3.782 4.350 -0.499 0.000 0.193 515 E C 2.098 178.721 176.600 0.039 0.000 0.988 515 E CA 1.109 57.526 56.400 0.029 0.000 0.804 515 E CB -0.170 29.526 29.700 -0.007 0.000 0.745 515 E HN 0.255 nan 8.360 nan 0.000 0.458 516 L N 1.704 122.925 121.223 -0.003 0.000 2.083 516 L HA -0.193 3.848 4.340 -0.499 0.000 0.209 516 L C 1.403 178.348 176.870 0.126 0.000 1.083 516 L CA 1.838 56.712 54.840 0.056 0.000 0.752 516 L CB -0.370 41.724 42.059 0.058 0.000 0.899 516 L HN -0.006 nan 8.230 nan 0.000 0.433 517 D N -0.246 120.275 120.400 0.201 0.000 2.158 517 D HA -0.189 4.152 4.640 -0.499 0.000 0.197 517 D C 1.773 178.145 176.300 0.119 0.000 0.995 517 D CA 1.352 55.468 54.000 0.192 0.000 0.846 517 D CB -0.274 40.680 40.800 0.256 0.000 0.941 517 D HN 0.470 nan 8.370 nan 0.000 0.456 518 N N 0.381 119.149 118.700 0.113 0.000 2.300 518 N HA -0.026 4.415 4.740 -0.499 0.000 0.179 518 N C 2.172 177.718 175.510 0.061 0.000 1.016 518 N CA 0.161 53.262 53.050 0.086 0.000 0.876 518 N CB -0.217 38.325 38.487 0.092 0.000 0.979 518 N HN 0.258 nan 8.380 nan 0.000 0.432 519 L N 0.250 121.505 121.223 0.052 0.000 2.042 519 L HA -0.151 3.890 4.340 -0.499 0.000 0.210 519 L C 2.389 179.267 176.870 0.013 0.000 1.076 519 L CA 1.055 55.909 54.840 0.022 0.000 0.749 519 L CB -0.291 41.774 42.059 0.010 0.000 0.893 519 L HN 0.133 nan 8.230 nan 0.000 0.432 520 M N -0.390 119.230 119.600 0.033 0.000 2.156 520 M HA -0.134 4.047 4.480 -0.499 0.000 0.264 520 M C 2.146 178.468 176.300 0.037 0.000 1.067 520 M CA 1.679 56.995 55.300 0.027 0.000 1.131 520 M CB -0.335 32.285 32.600 0.033 0.000 1.368 520 M HN 0.062 nan 8.290 nan 0.000 0.416 521 E N -0.779 119.447 120.200 0.043 0.000 2.072 521 E HA -0.115 3.936 4.350 -0.499 0.000 0.191 521 E C 2.017 178.639 176.600 0.037 0.000 0.985 521 E CA 1.879 58.313 56.400 0.056 0.000 0.801 521 E CB -0.820 28.917 29.700 0.063 0.000 0.750 521 E HN 0.507 nan 8.360 nan 0.000 0.452 522 T N 1.656 116.227 114.554 0.029 0.000 2.708 522 T HA -0.134 3.916 4.350 -0.499 0.000 0.266 522 T C 2.007 176.696 174.700 -0.018 0.000 1.037 522 T CA 1.631 63.748 62.100 0.027 0.000 1.146 522 T CB -0.246 68.669 68.868 0.078 0.000 0.865 522 T HN 0.277 nan 8.240 nan 0.000 0.435 523 A N 0.538 123.325 122.820 -0.055 0.000 1.877 523 A HA -0.095 3.926 4.320 -0.499 0.000 0.216 523 A C 2.111 179.588 177.584 -0.178 0.000 1.186 523 A CA 1.580 53.523 52.037 -0.156 0.000 0.620 523 A CB -1.151 17.761 19.000 -0.147 0.000 0.822 523 A HN 0.543 nan 8.150 nan 0.000 0.443 524 Y N 0.637 120.815 120.300 -0.203 0.000 2.128 524 Y HA -0.181 4.070 4.550 -0.498 0.000 0.284 524 Y C 2.735 178.420 175.900 -0.358 0.000 1.154 524 Y CA 1.540 59.508 58.100 -0.220 0.000 1.149 524 Y CB -0.568 37.814 38.460 -0.131 0.000 0.976 524 Y HN 0.317 nan 8.280 nan 0.000 0.505 525 A N -0.966 121.624 122.820 -0.383 0.000 1.902 525 A HA -0.207 3.814 4.320 -0.499 0.000 0.217 525 A C 2.249 179.539 177.584 -0.490 0.000 1.181 525 A CA 2.320 53.897 52.037 -0.767 0.000 0.623 525 A CB -1.372 17.259 19.000 -0.615 0.000 0.818 525 A HN 0.511 nan 8.150 nan 0.000 0.443 526 T N 0.282 114.663 114.554 -0.289 0.000 2.684 526 T HA -0.085 3.965 4.350 -0.499 0.000 0.267 526 T C 2.226 176.693 174.700 -0.389 0.000 1.036 526 T CA 1.870 63.862 62.100 -0.180 0.000 1.148 526 T CB -0.484 68.363 68.868 -0.036 0.000 0.863 526 T HN 0.618 nan 8.240 nan 0.000 0.436 527 A N 0.885 123.303 122.820 -0.670 0.000 1.873 527 A HA -0.029 3.992 4.320 -0.499 0.000 0.215 527 A C 2.599 179.962 177.584 -0.369 0.000 1.186 527 A CA 1.369 52.873 52.037 -0.889 0.000 0.616 527 A CB -1.044 17.417 19.000 -0.900 0.000 0.823 527 A HN 0.341 nan 8.150 nan 0.000 0.442 528 V N 0.204 119.853 119.914 -0.442 0.000 2.324 528 V HA -0.260 3.561 4.120 -0.499 0.000 0.250 528 V C 2.787 178.844 176.094 -0.062 0.000 1.060 528 V CA 2.436 64.582 62.300 -0.256 0.000 1.042 528 V CB -0.888 30.741 31.823 -0.324 0.000 0.650 528 V HN 0.563 nan 8.190 nan 0.000 0.450 529 S N 0.070 115.708 115.700 -0.104 0.000 2.355 529 S HA -0.097 4.074 4.470 -0.499 0.000 0.222 529 S C 2.257 176.885 174.600 0.045 0.000 1.031 529 S CA 1.263 59.477 58.200 0.022 0.000 0.993 529 S CB -0.510 62.677 63.200 -0.022 0.000 0.859 529 S HN 0.649 nan 8.310 nan 0.000 0.453 530 A N 2.792 125.625 122.820 0.023 0.000 1.908 530 A HA -0.180 3.841 4.320 -0.499 0.000 0.218 530 A C 1.971 179.692 177.584 0.229 0.000 1.181 530 A CA 1.527 53.648 52.037 0.140 0.000 0.627 530 A CB -0.729 18.518 19.000 0.412 0.000 0.818 530 A HN 0.470 nan 8.150 nan 0.000 0.445 531 N N -1.149 117.695 118.700 0.240 0.000 2.084 531 N HA -0.161 4.280 4.740 -0.499 0.000 0.190 531 N C 1.596 177.200 175.510 0.156 0.000 1.030 531 N CA 1.682 54.861 53.050 0.215 0.000 0.849 531 N CB -0.479 38.132 38.487 0.206 0.000 1.012 531 N HN 0.520 nan 8.380 nan 0.000 0.423 532 F N 2.187 122.144 119.950 0.011 0.000 2.091 532 F HA -0.116 4.111 4.527 -0.499 0.000 0.299 532 F C 1.292 177.004 175.800 -0.148 0.000 1.103 532 F CA 1.135 59.147 58.000 0.021 0.000 1.228 532 F CB -0.194 38.851 39.000 0.075 0.000 0.984 532 F HN -0.158 nan 8.300 nan 0.000 0.477 533 R N 1.382 121.563 120.500 -0.531 0.000 2.351 533 R HA 0.093 4.134 4.340 -0.499 0.000 0.321 533 R C -0.385 175.325 176.300 -0.983 0.000 1.182 533 R CA 0.477 55.790 56.100 -1.311 0.000 1.011 533 R CB -0.351 29.350 30.300 -0.998 0.000 1.048 533 R HN 0.280 nan 8.270 nan 0.000 0.490 534 T N 1.676 115.490 114.554 -1.233 0.000 4.098 534 T HA 0.187 4.238 4.350 -0.499 0.000 0.291 534 T C -0.218 173.886 174.700 -0.994 0.000 1.440 534 T CA -0.517 60.932 62.100 -1.085 0.000 1.164 534 T CB -0.381 67.755 68.868 -1.220 0.000 1.313 534 T HN 0.774 nan 8.240 nan 0.000 0.951 535 E N -0.589 119.252 120.200 -0.598 0.000 2.442 535 E HA 0.604 4.654 4.350 -0.499 0.000 0.278 535 E C -1.580 174.973 176.600 -0.078 0.000 1.082 535 E CA -1.242 55.018 56.400 -0.234 0.000 0.861 535 E CB 0.620 30.153 29.700 -0.279 0.000 1.462 535 E HN 0.023 nan 8.360 nan 0.000 0.458 536 S N -0.139 115.559 115.700 -0.003 0.000 2.552 536 S HA 0.612 4.783 4.470 -0.499 0.000 0.314 536 S C -1.061 173.569 174.600 0.050 0.000 1.099 536 S CA -0.708 57.486 58.200 -0.011 0.000 1.070 536 S CB 0.960 64.144 63.200 -0.027 0.000 0.998 536 S HN 0.456 nan 8.310 nan 0.000 0.474 537 R N 1.850 122.401 120.500 0.084 0.000 2.564 537 R HA 0.558 4.599 4.340 -0.499 0.000 0.284 537 R C 0.808 177.175 176.300 0.110 0.000 1.031 537 R CA 0.235 56.397 56.100 0.103 0.000 0.904 537 R CB 1.045 31.409 30.300 0.107 0.000 1.199 537 R HN 0.862 nan 8.270 nan 0.000 0.443 538 G N 2.337 111.197 108.800 0.100 0.000 2.684 538 G HA2 -0.473 3.187 3.960 -0.499 0.000 0.332 538 G HA3 -0.473 3.187 3.960 -0.499 0.000 0.332 538 G C 0.819 175.769 174.900 0.084 0.000 1.306 538 G CA 0.850 46.007 45.100 0.095 0.000 1.002 538 G HN 0.858 nan 8.290 nan 0.000 0.545 539 A N -0.675 122.213 122.820 0.112 0.000 2.119 539 A HA 0.253 4.273 4.320 -0.499 0.000 0.217 539 A C 1.245 178.913 177.584 0.140 0.000 1.153 539 A CA 1.918 54.029 52.037 0.124 0.000 0.692 539 A CB -0.342 18.779 19.000 0.201 0.000 0.799 539 A HN 1.332 nan 8.150 nan 0.000 0.458 540 H N 0.229 119.330 119.070 0.052 0.000 2.782 540 H HA 0.574 4.832 4.556 -0.496 0.000 0.285 540 H C -0.665 174.651 175.328 -0.020 0.000 1.093 540 H CA 0.149 56.218 56.048 0.035 0.000 1.410 540 H CB 0.400 30.181 29.762 0.031 0.000 1.439 540 H HN 0.063 nan 8.280 nan 0.000 0.469 541 S N 5.150 120.619 115.700 -0.385 0.000 2.561 541 S HA 0.572 4.742 4.470 -0.499 0.000 0.303 541 S C -0.919 173.432 174.600 -0.415 0.000 1.110 541 S CA -0.816 57.179 58.200 -0.341 0.000 1.034 541 S CB 0.473 63.526 63.200 -0.245 0.000 1.010 541 S HN 0.782 nan 8.310 nan 0.000 0.482 542 R N 2.768 123.057 120.500 -0.352 0.000 2.575 542 R HA 0.382 4.422 4.340 -0.499 0.000 0.293 542 R C -0.252 175.938 176.300 -0.183 0.000 0.983 542 R CA -0.573 55.370 56.100 -0.262 0.000 0.887 542 R CB 0.950 31.196 30.300 -0.090 0.000 1.184 542 R HN 0.568 nan 8.270 nan 0.000 0.445 543 F N 1.168 121.120 119.950 0.002 0.000 2.259 543 F HA -0.155 4.064 4.527 -0.513 0.000 0.298 543 F C 2.142 177.899 175.800 -0.073 0.000 1.088 543 F CA 1.141 59.115 58.000 -0.042 0.000 1.358 543 F CB -0.014 38.937 39.000 -0.081 0.000 1.040 543 F HN 0.586 nan 8.300 nan 0.000 0.505 544 D N -0.959 119.491 120.400 0.083 0.000 2.347 544 D HA -0.148 4.193 4.640 -0.499 0.000 0.215 544 D C 0.051 176.058 176.300 -0.488 0.000 0.976 544 D CA 0.705 54.615 54.000 -0.151 0.000 0.884 544 D CB -0.501 40.239 40.800 -0.100 0.000 0.915 544 D HN 0.256 nan 8.370 nan 0.000 0.526 545 F N 0.268 120.223 119.950 0.008 0.000 2.872 545 F HA 0.276 4.503 4.527 -0.501 0.000 0.365 545 F C -1.915 173.873 175.800 -0.021 0.000 1.296 545 F CA -1.789 56.210 58.000 -0.002 0.000 1.199 545 F CB 2.051 41.037 39.000 -0.024 0.000 1.687 545 F HN -0.242 nan 8.300 nan 0.000 0.604 546 P HA -0.037 nan 4.420 nan 0.000 0.230 546 P C -0.165 177.182 177.300 0.079 0.000 1.158 546 P CA 1.011 64.153 63.100 0.071 0.000 0.769 546 P CB 0.489 32.233 31.700 0.074 0.000 0.807 547 D N -0.034 120.430 120.400 0.108 0.000 2.268 547 D HA 0.226 4.567 4.640 -0.499 0.000 0.249 547 D C 0.136 176.498 176.300 0.103 0.000 1.008 547 D CA -0.573 53.487 54.000 0.101 0.000 0.939 547 D CB 1.405 42.268 40.800 0.105 0.000 1.170 547 D HN -0.168 nan 8.370 nan 0.000 0.468 548 R N 1.020 121.577 120.500 0.095 0.000 2.265 548 R HA 0.126 4.166 4.340 -0.499 0.000 0.314 548 R C -0.805 175.566 176.300 0.118 0.000 1.053 548 R CA -0.329 55.832 56.100 0.102 0.000 0.931 548 R CB 0.535 30.894 30.300 0.098 0.000 1.024 548 R HN 0.243 nan 8.270 nan 0.000 0.457 549 D N 3.238 123.733 120.400 0.158 0.000 2.477 549 D HA 0.099 4.439 4.640 -0.499 0.000 0.239 549 D C -0.422 175.981 176.300 0.172 0.000 1.102 549 D CA -0.422 53.690 54.000 0.187 0.000 0.901 549 D CB 1.095 42.073 40.800 0.296 0.000 1.026 549 D HN 0.447 nan 8.370 nan 0.000 0.515 550 D N 1.988 122.447 120.400 0.098 0.000 2.347 550 D HA -0.045 4.295 4.640 -0.499 0.000 0.215 550 D C 1.310 177.627 176.300 0.030 0.000 0.976 550 D CA 0.498 54.536 54.000 0.063 0.000 0.884 550 D CB 0.454 41.266 40.800 0.019 0.000 0.915 550 D HN 0.595 nan 8.370 nan 0.000 0.526 551 E N -0.127 120.087 120.200 0.023 0.000 2.216 551 E HA 0.020 4.071 4.350 -0.499 0.000 0.192 551 E C 1.156 177.712 176.600 -0.074 0.000 0.988 551 E CA 0.443 56.833 56.400 -0.016 0.000 0.834 551 E CB 0.303 29.998 29.700 -0.009 0.000 0.772 551 E HN 0.188 nan 8.360 nan 0.000 0.479 552 N N -1.614 117.025 118.700 -0.102 0.000 2.257 552 N HA 0.036 4.477 4.740 -0.499 0.000 0.200 552 N C 0.123 175.252 175.510 -0.636 0.000 1.163 552 N CA 0.254 53.081 53.050 -0.371 0.000 0.891 552 N CB 0.537 38.770 38.487 -0.422 0.000 1.067 552 N HN 0.152 nan 8.380 nan 0.000 0.497 553 W N 0.666 121.942 121.300 -0.040 0.000 2.252 553 W HA 0.378 4.741 4.660 -0.495 0.000 0.338 553 W C -0.080 176.424 176.519 -0.025 0.000 0.914 553 W CA -0.421 56.897 57.345 -0.044 0.000 1.754 553 W CB 0.286 29.709 29.460 -0.062 0.000 1.135 553 W HN -0.170 nan 8.180 nan 0.000 0.531 554 L N 3.583 124.875 121.223 0.115 0.000 2.376 554 L HA 0.326 4.366 4.340 -0.499 0.000 0.250 554 L C 0.220 177.105 176.870 0.026 0.000 1.335 554 L CA -0.239 54.643 54.840 0.069 0.000 1.214 554 L CB -1.244 40.837 42.059 0.037 0.000 1.395 554 L HN 0.193 nan 8.230 nan 0.000 0.424 555 C N -0.395 118.924 119.300 0.031 0.000 3.253 555 C HA 0.409 4.569 4.460 -0.499 0.000 0.342 555 C C -0.410 174.576 174.990 -0.007 0.000 1.306 555 C CA -1.179 57.836 59.018 -0.006 0.000 1.207 555 C CB 1.151 28.925 27.740 0.056 0.000 1.479 555 C HN 0.504 nan 8.230 nan 0.000 0.469 556 H N 1.424 120.575 119.070 0.135 0.000 2.562 556 H HA 0.575 4.832 4.556 -0.499 0.000 0.352 556 H C 0.562 176.006 175.328 0.194 0.000 1.125 556 H CA 0.880 57.007 56.048 0.131 0.000 1.379 556 H CB 1.836 31.642 29.762 0.074 0.000 1.464 556 H HN 0.955 nan 8.280 nan 0.000 0.563 557 S N 2.428 118.330 115.700 0.337 0.000 2.541 557 S HA 0.432 4.603 4.470 -0.499 0.000 0.283 557 S C -0.470 174.245 174.600 0.192 0.000 1.196 557 S CA -0.877 57.533 58.200 0.350 0.000 1.062 557 S CB 1.250 64.707 63.200 0.428 0.000 1.009 557 S HN 0.363 nan 8.310 nan 0.000 0.502 558 L N 3.361 124.651 121.223 0.111 0.000 2.376 558 L HA 0.504 4.545 4.340 -0.499 0.000 0.275 558 L C -1.435 175.442 176.870 0.012 0.000 0.987 558 L CA -0.800 54.068 54.840 0.046 0.000 0.828 558 L CB 1.598 43.665 42.059 0.015 0.000 1.249 558 L HN 0.863 nan 8.230 nan 0.000 0.409 559 Y N 5.715 125.967 120.300 -0.080 0.000 2.383 559 Y HA 0.560 4.811 4.550 -0.498 0.000 0.344 559 Y C -1.000 174.862 175.900 -0.063 0.000 0.986 559 Y CA -0.552 57.495 58.100 -0.089 0.000 1.175 559 Y CB 0.685 39.108 38.460 -0.062 0.000 1.152 559 Y HN 0.524 nan 8.280 nan 0.000 0.511 560 L N 10.105 130.996 121.223 -0.555 0.000 2.259 560 L HA 0.322 4.362 4.340 -0.499 0.000 0.288 560 L C -1.702 174.787 176.870 -0.635 0.000 1.051 560 L CA -1.810 52.759 54.840 -0.452 0.000 0.824 560 L CB 1.098 42.992 42.059 -0.274 0.000 1.206 560 L HN 0.562 nan 8.230 nan 0.000 0.429 561 P HA -0.141 nan 4.420 nan 0.000 0.217 561 P C 1.008 178.196 177.300 -0.186 0.000 1.150 561 P CA 1.150 64.061 63.100 -0.314 0.000 0.832 561 P CB 0.363 32.014 31.700 -0.082 0.000 0.787 562 E N -0.044 120.065 120.200 -0.152 0.000 2.031 562 E HA -0.115 3.936 4.350 -0.499 0.000 0.193 562 E C 1.852 178.396 176.600 -0.094 0.000 0.994 562 E CA 1.813 58.155 56.400 -0.096 0.000 0.800 562 E CB -0.494 29.158 29.700 -0.079 0.000 0.752 562 E HN 0.332 nan 8.360 nan 0.000 0.447 563 S N 0.047 115.673 115.700 -0.123 0.000 2.575 563 S HA 0.046 4.217 4.470 -0.499 0.000 0.215 563 S C 0.282 174.826 174.600 -0.094 0.000 0.966 563 S CA -0.074 58.071 58.200 -0.092 0.000 0.911 563 S CB 0.017 63.164 63.200 -0.089 0.000 0.780 563 S HN 0.192 nan 8.310 nan 0.000 0.514 564 E N 1.421 121.519 120.200 -0.170 0.000 2.328 564 E HA -0.187 3.864 4.350 -0.499 0.000 0.233 564 E C -0.163 176.397 176.600 -0.067 0.000 1.219 564 E CA 0.631 56.961 56.400 -0.116 0.000 0.717 564 E CB -1.972 27.819 29.700 0.152 0.000 1.210 564 E HN 0.842 nan 8.360 nan 0.000 0.381 565 S N -1.294 114.285 115.700 -0.201 0.000 2.709 565 S HA 0.801 4.972 4.470 -0.499 0.000 0.302 565 S C -0.074 174.395 174.600 -0.218 0.000 1.127 565 S CA -1.230 56.892 58.200 -0.131 0.000 0.905 565 S CB 2.103 65.243 63.200 -0.099 0.000 1.151 565 S HN 0.085 nan 8.310 nan 0.000 0.510 566 M N 1.358 120.773 119.600 -0.308 0.000 2.598 566 M HA 0.690 4.871 4.480 -0.499 0.000 0.317 566 M C 0.132 176.122 176.300 -0.517 0.000 1.201 566 M CA -0.295 54.663 55.300 -0.570 0.000 0.971 566 M CB 1.451 33.261 32.600 -1.317 0.000 1.657 566 M HN 1.048 nan 8.290 nan 0.000 0.470 567 T N 0.698 115.021 114.554 -0.385 0.000 2.645 567 T HA 0.644 4.695 4.350 -0.499 0.000 0.300 567 T C -1.436 173.298 174.700 0.056 0.000 1.210 567 T CA -0.743 61.285 62.100 -0.119 0.000 1.034 567 T CB 1.793 70.619 68.868 -0.070 0.000 1.537 567 T HN 0.700 nan 8.240 nan 0.000 0.492 568 R N 0.894 121.458 120.500 0.106 0.000 2.803 568 R HA 0.703 4.744 4.340 -0.499 0.000 0.276 568 R C -0.649 175.712 176.300 0.101 0.000 0.978 568 R CA -0.985 55.206 56.100 0.153 0.000 0.939 568 R CB 1.950 32.318 30.300 0.114 0.000 1.179 568 R HN 0.495 nan 8.270 nan 0.000 0.472 569 R N 0.283 120.871 120.500 0.147 0.000 2.670 569 R HA 0.333 4.374 4.340 -0.499 0.000 0.289 569 R C -0.425 175.980 176.300 0.175 0.000 0.965 569 R CA -0.624 55.555 56.100 0.131 0.000 0.899 569 R CB 2.395 32.762 30.300 0.112 0.000 1.173 569 R HN 0.583 nan 8.270 nan 0.000 0.456 570 S N 0.943 116.714 115.700 0.118 0.000 2.554 570 S HA -0.001 4.169 4.470 -0.499 0.000 0.290 570 S C 0.164 174.880 174.600 0.193 0.000 1.309 570 S CA -0.314 57.950 58.200 0.107 0.000 1.047 570 S CB 0.524 63.767 63.200 0.071 0.000 0.828 570 S HN 0.235 nan 8.310 nan 0.000 0.509 571 V N 4.203 124.167 119.914 0.083 0.000 2.509 571 V HA 0.201 4.022 4.120 -0.499 0.000 0.284 571 V C 0.704 176.860 176.094 0.102 0.000 1.047 571 V CA -0.867 61.474 62.300 0.068 0.000 0.952 571 V CB 1.204 32.982 31.823 -0.076 0.000 0.988 571 V HN 0.820 nan 8.190 nan 0.000 0.469 572 N N 4.998 123.778 118.700 0.133 0.000 2.520 572 N HA 0.287 4.728 4.740 -0.499 0.000 0.273 572 N C -0.363 175.205 175.510 0.097 0.000 1.155 572 N CA -0.019 53.088 53.050 0.095 0.000 0.967 572 N CB 1.031 39.568 38.487 0.084 0.000 1.092 572 N HN 0.672 nan 8.380 nan 0.000 0.457 573 M N 2.682 122.331 119.600 0.081 0.000 3.320 573 M HA 0.180 4.361 4.480 -0.499 0.000 0.414 573 M C -0.897 175.445 176.300 0.070 0.000 1.553 573 M CA -0.056 55.297 55.300 0.089 0.000 0.742 573 M CB 0.517 33.167 32.600 0.082 0.000 1.434 573 M HN 0.407 nan 8.290 nan 0.000 0.505 574 E N 2.422 122.663 120.200 0.070 0.000 3.132 574 E HA 0.265 4.316 4.350 -0.499 0.000 0.241 574 E C -2.431 174.211 176.600 0.070 0.000 1.196 574 E CA -1.555 54.878 56.400 0.055 0.000 0.869 574 E CB 1.629 31.354 29.700 0.042 0.000 1.387 574 E HN 0.133 nan 8.360 nan 0.000 0.393 575 P HA 0.002 nan 4.420 nan 0.000 0.270 575 P C 0.228 177.584 177.300 0.093 0.000 1.223 575 P CA -0.219 62.950 63.100 0.115 0.000 0.785 575 P CB 1.264 33.048 31.700 0.141 0.000 0.923 576 K N 0.944 121.409 120.400 0.108 0.000 2.335 576 K HA 0.194 4.215 4.320 -0.499 0.000 0.195 576 K C 1.597 178.256 176.600 0.099 0.000 1.058 576 K CA 0.721 57.059 56.287 0.085 0.000 0.988 576 K CB 0.032 32.577 32.500 0.075 0.000 0.880 576 K HN 0.414 nan 8.250 nan 0.000 0.513 577 L N 0.721 122.038 121.223 0.156 0.000 2.664 577 L HA 0.196 4.236 4.340 -0.499 0.000 0.233 577 L C 0.609 177.595 176.870 0.193 0.000 1.113 577 L CA -0.167 54.793 54.840 0.199 0.000 0.896 577 L CB 0.243 42.482 42.059 0.301 0.000 1.163 577 L HN 0.062 nan 8.230 nan 0.000 0.497 578 R N -1.512 119.071 120.500 0.137 0.000 2.728 578 R HA 0.546 4.586 4.340 -0.499 0.000 0.274 578 R C -3.149 173.123 176.300 -0.047 0.000 1.030 578 R CA -1.528 54.588 56.100 0.028 0.000 0.876 578 R CB 0.349 30.648 30.300 -0.001 0.000 1.259 578 R HN -0.359 nan 8.270 nan 0.000 0.468 579 P HA 0.194 nan 4.420 nan 0.000 0.274 579 P C -0.711 176.434 177.300 -0.259 0.000 1.237 579 P CA -0.392 62.611 63.100 -0.161 0.000 0.793 579 P CB 0.781 32.376 31.700 -0.174 0.000 0.977 580 A N 1.644 124.378 122.820 -0.144 0.000 2.483 580 A HA 0.260 4.280 4.320 -0.499 0.000 0.238 580 A C -0.423 177.064 177.584 -0.161 0.000 1.070 580 A CA 0.013 51.997 52.037 -0.089 0.000 0.770 580 A CB -0.716 18.296 19.000 0.020 0.000 1.008 580 A HN 0.386 nan 8.150 nan 0.000 0.497 581 F N 3.387 123.417 119.950 0.133 0.000 2.413 581 F HA 0.323 4.552 4.527 -0.497 0.000 0.359 581 F C -1.473 174.421 175.800 0.156 0.000 1.122 581 F CA -1.857 56.243 58.000 0.167 0.000 1.160 581 F CB 0.779 39.920 39.000 0.236 0.000 1.146 581 F HN 0.364 nan 8.300 nan 0.000 0.514 582 P HA 0.186 nan 4.420 nan 0.000 0.275 582 P C -2.699 174.521 177.300 -0.132 0.000 1.228 582 P CA -1.640 61.496 63.100 0.059 0.000 0.786 582 P CB 0.297 32.007 31.700 0.017 0.000 0.927 583 P HA 0.112 nan 4.420 nan 0.000 0.265 583 P C -0.112 176.813 177.300 -0.625 0.000 1.193 583 P CA 0.471 63.027 63.100 -0.907 0.000 0.765 583 P CB 0.262 31.697 31.700 -0.441 0.000 0.823 584 K N 1.628 121.573 120.400 -0.758 0.000 2.533 584 K HA 0.509 4.530 4.320 -0.499 0.000 0.284 584 K C -0.888 175.631 176.600 -0.134 0.000 1.025 584 K CA -1.106 55.020 56.287 -0.268 0.000 0.900 584 K CB 0.746 33.179 32.500 -0.111 0.000 1.519 584 K HN 0.057 nan 8.250 nan 0.000 0.432 585 I N 1.669 122.216 120.570 -0.038 0.000 2.710 585 I HA 0.033 3.904 4.170 -0.499 0.000 0.286 585 I C 0.478 176.618 176.117 0.039 0.000 1.181 585 I CA 0.273 61.579 61.300 0.010 0.000 1.430 585 I CB 0.420 38.428 38.000 0.012 0.000 1.367 585 I HN 0.472 nan 8.210 nan 0.000 0.577 586 R N 5.761 126.295 120.500 0.056 0.000 2.332 586 R HA 0.373 4.414 4.340 -0.499 0.000 0.306 586 R C -0.953 175.308 176.300 -0.065 0.000 1.117 586 R CA -0.327 55.777 56.100 0.007 0.000 1.108 586 R CB 0.547 30.901 30.300 0.091 0.000 1.126 586 R HN 0.813 nan 8.270 nan 0.000 0.548 587 T N -0.198 114.276 114.554 -0.132 0.000 2.916 587 T HA 0.488 4.538 4.350 -0.499 0.000 0.292 587 T C -0.725 173.836 174.700 -0.233 0.000 1.064 587 T CA -0.559 61.492 62.100 -0.081 0.000 1.011 587 T CB 1.456 70.337 68.868 0.022 0.000 1.152 587 T HN 0.314 nan 8.240 nan 0.000 0.510 588 Y N 0.000 120.336 120.300 0.060 0.000 2.660 588 Y HA 0.000 4.250 4.550 -0.500 0.000 0.201 588 Y CA 0.000 58.129 58.100 0.049 0.000 1.940 588 Y CB 0.000 38.483 38.460 0.038 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758