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 1hl2_1_C DATA FIRST_RESID 3 DATA SEQUENCE TNLRGVMAAL LTPFDQQQAL DKASLRRLVQ FNIQQGIDGL YVGGSTGEAF DATA SEQUENCE VQSLSEREQV LEIVAEEAKG KIKLIAHVGC VSTAESQQLA ASAKRYGFDA DATA SEQUENCE VSAVTPFYYP FSFEEHCDHY RAIIDSADGL PMVVYNIPAR SGVKLTLDQI DATA SEQUENCE NTLVTLPGVG ALKQTSGDLY QMEQIRREHP DLVLYNGYDE IFASGLLAGA DATA SEQUENCE DGGIGSTYNI MGWRYQGIVK ALKEGDIQTA QKLQTECNKV IDLLIKTGVF DATA SEQUENCE RGLKTVLHYM DVVSVPLCRK PFGPVDEKYL PELKALAQQL MQERG 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.725 174.700 0.042 0.000 1.109 3 T CA 0.000 62.121 62.100 0.036 0.000 1.349 3 T CB 0.000 68.893 68.868 0.042 0.000 0.612 4 N N 2.762 121.486 118.700 0.040 0.000 2.420 4 N HA 0.267 5.007 4.740 -0.000 0.000 0.262 4 N C 0.686 176.235 175.510 0.066 0.000 1.144 4 N CA -0.385 52.690 53.050 0.042 0.000 0.952 4 N CB 0.326 38.834 38.487 0.034 0.000 1.081 4 N HN 0.598 nan 8.380 nan 0.000 0.480 5 L N 2.180 123.448 121.223 0.076 0.000 2.592 5 L HA 0.242 4.582 4.340 -0.000 0.000 0.227 5 L C 0.867 177.830 176.870 0.155 0.000 1.127 5 L CA -0.093 54.832 54.840 0.142 0.000 0.884 5 L CB -0.121 42.044 42.059 0.177 0.000 1.065 5 L HN 0.407 nan 8.230 nan 0.000 0.457 6 R N 0.797 121.333 120.500 0.059 0.000 2.590 6 R HA 0.452 4.792 4.340 -0.000 0.000 0.274 6 R C 0.349 176.727 176.300 0.131 0.000 1.061 6 R CA 0.633 56.751 56.100 0.031 0.000 1.081 6 R CB 0.598 30.895 30.300 -0.006 0.000 0.984 6 R HN 0.203 nan 8.270 nan 0.000 0.448 7 G N 0.179 109.094 108.800 0.191 0.000 2.369 7 G HA2 0.009 3.969 3.960 -0.000 0.000 0.293 7 G HA3 0.009 3.969 3.960 -0.000 0.000 0.293 7 G C -1.675 173.399 174.900 0.290 0.000 1.301 7 G CA -1.042 44.183 45.100 0.209 0.000 0.913 7 G HN 0.385 nan 8.290 nan 0.000 0.540 8 V N 2.041 122.078 119.914 0.205 0.000 2.333 8 V HA 0.608 4.728 4.120 -0.000 0.000 0.274 8 V C 0.076 176.277 176.094 0.177 0.000 1.028 8 V CA -0.345 62.059 62.300 0.174 0.000 0.851 8 V CB 1.041 32.840 31.823 -0.040 0.000 1.000 8 V HN 0.613 nan 8.190 nan 0.000 0.456 9 M N 4.326 124.066 119.600 0.234 0.000 2.243 9 M HA 0.619 5.099 4.480 -0.000 0.000 0.324 9 M C -0.002 176.364 176.300 0.110 0.000 1.031 9 M CA -0.577 54.795 55.300 0.120 0.000 0.949 9 M CB 1.587 34.169 32.600 -0.030 0.000 1.615 9 M HN 0.561 nan 8.290 nan 0.000 0.430 10 A N 2.634 125.525 122.820 0.118 0.000 2.401 10 A HA 0.686 5.006 4.320 -0.000 0.000 0.259 10 A C 0.386 177.909 177.584 -0.101 0.000 1.103 10 A CA -0.458 51.578 52.037 -0.001 0.000 0.789 10 A CB 0.228 19.277 19.000 0.082 0.000 1.035 10 A HN 0.946 nan 8.150 nan 0.000 0.491 11 A N 2.762 125.440 122.820 -0.238 0.000 2.415 11 A HA 0.487 4.807 4.320 -0.000 0.000 0.309 11 A C 0.019 177.531 177.584 -0.119 0.000 1.356 11 A CA -0.389 51.560 52.037 -0.145 0.000 0.998 11 A CB -0.485 18.354 19.000 -0.270 0.000 1.145 11 A HN 1.100 nan 8.150 nan 0.000 0.545 12 L N 3.417 124.603 121.223 -0.062 0.000 2.499 12 L HA 0.228 4.568 4.340 -0.000 0.000 0.273 12 L C -0.013 176.762 176.870 -0.157 0.000 1.195 12 L CA 0.507 55.298 54.840 -0.081 0.000 0.882 12 L CB 0.134 42.166 42.059 -0.045 0.000 1.133 12 L HN 0.615 nan 8.230 nan 0.000 0.483 13 L N 4.056 125.175 121.223 -0.173 0.000 2.439 13 L HA 0.365 4.705 4.340 -0.000 0.000 0.261 13 L C 0.386 177.103 176.870 -0.256 0.000 1.153 13 L CA -0.280 54.410 54.840 -0.251 0.000 0.808 13 L CB 0.793 42.727 42.059 -0.209 0.000 1.126 13 L HN 0.575 nan 8.230 nan 0.000 0.460 14 T N 2.321 116.668 114.554 -0.344 0.000 2.788 14 T HA 0.353 4.703 4.350 -0.000 0.000 0.296 14 T C -2.470 171.768 174.700 -0.770 0.000 1.009 14 T CA -1.237 60.570 62.100 -0.490 0.000 0.949 14 T CB 1.354 69.918 68.868 -0.506 0.000 0.946 14 T HN 0.245 nan 8.240 nan 0.000 0.453 15 P HA 0.432 nan 4.420 nan 0.000 0.276 15 P C -0.924 175.988 177.300 -0.647 0.000 1.230 15 P CA -0.301 62.521 63.100 -0.464 0.000 0.776 15 P CB 0.415 31.969 31.700 -0.243 0.000 0.888 16 F N 0.993 120.920 119.950 -0.038 0.000 2.611 16 F HA 0.409 4.936 4.527 -0.000 0.000 0.324 16 F C 0.664 176.446 175.800 -0.029 0.000 1.061 16 F CA -0.554 57.430 58.000 -0.026 0.000 0.954 16 F CB 1.052 40.045 39.000 -0.013 0.000 1.301 16 F HN 0.270 nan 8.300 nan 0.000 0.482 17 D N -0.827 119.693 120.400 0.200 0.000 2.588 17 D HA 0.191 4.831 4.640 -0.000 0.000 0.268 17 D C 0.619 176.964 176.300 0.075 0.000 1.176 17 D CA -0.424 53.630 54.000 0.091 0.000 1.080 17 D CB 0.368 41.202 40.800 0.056 0.000 1.186 17 D HN 0.334 nan 8.370 nan 0.000 0.619 18 Q N -1.210 118.610 119.800 0.034 0.000 2.234 18 Q HA -0.147 4.193 4.340 -0.000 0.000 0.206 18 Q C 1.195 177.205 176.000 0.017 0.000 0.980 18 Q CA 1.416 57.230 55.803 0.019 0.000 0.869 18 Q CB -0.083 28.659 28.738 0.006 0.000 0.912 18 Q HN 0.489 nan 8.270 nan 0.000 0.436 19 Q N -0.290 119.523 119.800 0.022 0.000 2.365 19 Q HA 0.057 4.397 4.340 -0.000 0.000 0.203 19 Q C -0.005 175.996 176.000 0.002 0.000 0.929 19 Q CA 0.056 55.866 55.803 0.011 0.000 0.948 19 Q CB 0.467 29.214 28.738 0.015 0.000 1.043 19 Q HN 0.211 nan 8.270 nan 0.000 0.505 20 Q N -2.627 117.178 119.800 0.008 0.000 2.374 20 Q HA -0.223 4.117 4.340 -0.000 0.000 0.218 20 Q C -0.326 175.675 176.000 0.002 0.000 0.691 20 Q CA 0.670 56.437 55.803 -0.060 0.000 1.340 20 Q CB -1.943 26.709 28.738 -0.145 0.000 1.498 20 Q HN 0.446 nan 8.270 nan 0.000 0.739 21 A N 0.847 123.727 122.820 0.101 0.000 2.304 21 A HA 0.513 4.833 4.320 -0.000 0.000 0.271 21 A C 0.226 177.990 177.584 0.301 0.000 1.091 21 A CA -0.337 51.791 52.037 0.152 0.000 0.812 21 A CB 0.399 19.450 19.000 0.085 0.000 1.056 21 A HN 0.285 nan 8.150 nan 0.000 0.489 22 L N 0.934 122.320 121.223 0.272 0.000 2.540 22 L HA 0.162 4.502 4.340 -0.000 0.000 0.276 22 L C -0.062 176.836 176.870 0.047 0.000 1.212 22 L CA 0.356 55.289 54.840 0.156 0.000 0.893 22 L CB 0.254 42.356 42.059 0.071 0.000 1.138 22 L HN 0.641 nan 8.230 nan 0.000 0.491 23 D N 4.097 124.476 120.400 -0.035 0.000 2.456 23 D HA 0.136 4.776 4.640 -0.000 0.000 0.219 23 D C 0.694 176.956 176.300 -0.063 0.000 1.126 23 D CA -0.115 53.864 54.000 -0.035 0.000 0.890 23 D CB 0.726 41.498 40.800 -0.047 0.000 1.025 23 D HN 0.650 nan 8.370 nan 0.000 0.511 24 K N 1.983 122.359 120.400 -0.040 0.000 2.057 24 K HA -0.099 4.221 4.320 -0.000 0.000 0.206 24 K C 1.845 178.419 176.600 -0.043 0.000 1.050 24 K CA 1.208 57.468 56.287 -0.045 0.000 0.935 24 K CB 0.109 32.590 32.500 -0.032 0.000 0.715 24 K HN 0.410 nan 8.250 nan 0.000 0.439 25 A N 1.006 123.807 122.820 -0.032 0.000 1.902 25 A HA -0.147 4.172 4.320 -0.000 0.000 0.217 25 A C 2.200 179.764 177.584 -0.033 0.000 1.181 25 A CA 1.802 53.823 52.037 -0.026 0.000 0.623 25 A CB -0.477 18.512 19.000 -0.017 0.000 0.818 25 A HN 0.158 nan 8.150 nan 0.000 0.443 26 S N -0.520 115.153 115.700 -0.045 0.000 2.402 26 S HA -0.024 4.446 4.470 -0.000 0.000 0.229 26 S C 1.821 176.380 174.600 -0.068 0.000 1.021 26 S CA 0.891 59.058 58.200 -0.056 0.000 0.974 26 S CB -0.336 62.824 63.200 -0.067 0.000 0.800 26 S HN 0.525 nan 8.310 nan 0.000 0.484 27 L N 1.492 122.666 121.223 -0.083 0.000 2.017 27 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 27 L C 2.492 179.333 176.870 -0.047 0.000 1.073 27 L CA 1.543 56.331 54.840 -0.087 0.000 0.745 27 L CB -0.290 41.708 42.059 -0.101 0.000 0.894 27 L HN 0.293 nan 8.230 nan 0.000 0.432 28 R N -0.722 119.756 120.500 -0.037 0.000 2.096 28 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 28 R C 2.322 178.623 176.300 0.002 0.000 1.127 28 R CA 1.176 57.265 56.100 -0.019 0.000 0.968 28 R CB -0.231 30.057 30.300 -0.020 0.000 0.861 28 R HN 0.403 nan 8.270 nan 0.000 0.440 29 R N 0.380 120.879 120.500 -0.000 0.000 2.081 29 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 29 R C 2.286 178.622 176.300 0.059 0.000 1.131 29 R CA 1.057 57.170 56.100 0.023 0.000 0.960 29 R CB -0.385 29.913 30.300 -0.003 0.000 0.856 29 R HN 0.109 nan 8.270 nan 0.000 0.436 30 L N 0.668 121.905 121.223 0.024 0.000 2.093 30 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 30 L C 2.035 178.975 176.870 0.117 0.000 1.085 30 L CA 1.477 56.354 54.840 0.061 0.000 0.755 30 L CB -0.274 41.778 42.059 -0.013 0.000 0.904 30 L HN -0.106 nan 8.230 nan 0.000 0.435 31 V N -0.424 119.525 119.914 0.058 0.000 2.295 31 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 31 V C 2.691 178.828 176.094 0.070 0.000 1.049 31 V CA 1.736 64.066 62.300 0.050 0.000 1.024 31 V CB -0.670 31.160 31.823 0.011 0.000 0.648 31 V HN 0.508 nan 8.190 nan 0.000 0.447 32 Q N -1.037 118.807 119.800 0.074 0.000 2.124 32 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 32 Q C 2.060 178.127 176.000 0.111 0.000 0.977 32 Q CA 1.795 57.641 55.803 0.071 0.000 0.850 32 Q CB -0.657 28.118 28.738 0.062 0.000 0.901 32 Q HN 0.675 nan 8.270 nan 0.000 0.429 33 F N 2.116 122.076 119.950 0.017 0.000 2.134 33 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 33 F C 1.848 177.684 175.800 0.060 0.000 1.097 33 F CA 1.259 59.282 58.000 0.038 0.000 1.264 33 F CB -0.190 38.836 39.000 0.044 0.000 1.001 33 F HN 0.103 nan 8.300 nan 0.000 0.479 34 N N 0.812 119.591 118.700 0.132 0.000 2.120 34 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 34 N C 2.106 177.602 175.510 -0.023 0.000 1.024 34 N CA 1.850 54.925 53.050 0.042 0.000 0.852 34 N CB -0.365 38.184 38.487 0.104 0.000 1.003 34 N HN 0.362 nan 8.380 nan 0.000 0.424 35 I N 1.555 122.122 120.570 -0.006 0.000 2.208 35 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 35 I C 2.088 178.175 176.117 -0.051 0.000 1.097 35 I CA 0.997 62.286 61.300 -0.018 0.000 1.363 35 I CB -0.140 37.855 38.000 -0.010 0.000 1.051 35 I HN 0.062 nan 8.210 nan 0.000 0.413 36 Q N 0.327 120.073 119.800 -0.090 0.000 2.291 36 Q HA -0.183 4.157 4.340 -0.000 0.000 0.205 36 Q C 1.956 177.855 176.000 -0.168 0.000 0.970 36 Q CA 1.155 56.882 55.803 -0.127 0.000 0.876 36 Q CB -0.273 28.382 28.738 -0.138 0.000 0.935 36 Q HN 0.622 nan 8.270 nan 0.000 0.455 37 Q N -0.882 118.806 119.800 -0.187 0.000 2.435 37 Q HA 0.065 4.405 4.340 -0.000 0.000 0.207 37 Q C 0.534 176.535 176.000 0.002 0.000 0.956 37 Q CA 0.578 56.328 55.803 -0.087 0.000 0.917 37 Q CB 0.336 29.068 28.738 -0.011 0.000 0.997 37 Q HN 0.531 nan 8.270 nan 0.000 0.497 38 G N 1.512 110.301 108.800 -0.019 0.000 2.142 38 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.225 38 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.225 38 G C -0.079 174.834 174.900 0.022 0.000 1.015 38 G CA -0.153 44.950 45.100 0.005 0.000 0.716 38 G HN 0.285 nan 8.290 nan 0.000 0.508 39 I N 0.813 121.396 120.570 0.022 0.000 2.754 39 I HA 0.258 4.428 4.170 -0.000 0.000 0.285 39 I C 1.247 177.388 176.117 0.040 0.000 1.166 39 I CA -0.155 61.166 61.300 0.035 0.000 1.417 39 I CB 0.651 38.680 38.000 0.049 0.000 1.382 39 I HN 0.156 nan 8.210 nan 0.000 0.588 40 D N 4.801 125.234 120.400 0.056 0.000 2.277 40 D HA 0.151 4.790 4.640 -0.000 0.000 0.208 40 D C 0.599 176.936 176.300 0.063 0.000 0.962 40 D CA 1.032 55.070 54.000 0.063 0.000 0.865 40 D CB 0.208 41.062 40.800 0.089 0.000 0.939 40 D HN 0.676 nan 8.370 nan 0.000 0.510 41 G N -0.758 108.082 108.800 0.067 0.000 2.430 41 G HA2 0.504 4.463 3.960 -0.000 0.000 0.300 41 G HA3 0.504 4.463 3.960 -0.000 0.000 0.300 41 G C -1.977 172.959 174.900 0.061 0.000 1.330 41 G CA -0.819 44.316 45.100 0.058 0.000 0.813 41 G HN 0.029 nan 8.290 nan 0.000 0.487 42 L N -0.085 121.173 121.223 0.059 0.000 2.381 42 L HA 0.514 4.854 4.340 -0.000 0.000 0.268 42 L C -1.451 175.489 176.870 0.116 0.000 0.997 42 L CA -0.974 53.908 54.840 0.070 0.000 0.818 42 L CB 2.672 44.761 42.059 0.051 0.000 1.310 42 L HN 0.636 nan 8.230 nan 0.000 0.416 43 Y N 3.132 123.393 120.300 -0.064 0.000 2.417 43 Y HA 0.554 5.103 4.550 -0.001 0.000 0.336 43 Y C -0.673 175.192 175.900 -0.058 0.000 0.961 43 Y CA -0.644 57.403 58.100 -0.088 0.000 1.215 43 Y CB 1.103 39.424 38.460 -0.231 0.000 1.120 43 Y HN 0.215 nan 8.280 nan 0.000 0.499 44 V N 5.282 125.095 119.914 -0.169 0.000 2.472 44 V HA 0.553 4.673 4.120 -0.000 0.000 0.290 44 V C 0.777 176.743 176.094 -0.214 0.000 1.037 44 V CA -0.213 62.018 62.300 -0.116 0.000 0.908 44 V CB 1.088 32.949 31.823 0.065 0.000 0.985 44 V HN 1.026 nan 8.190 nan 0.000 0.454 45 G N 3.179 111.889 108.800 -0.151 0.000 2.176 45 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.252 45 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.252 45 G C 0.462 175.310 174.900 -0.087 0.000 1.024 45 G CA 0.164 45.188 45.100 -0.127 0.000 0.755 45 G HN 1.331 nan 8.290 nan 0.000 0.507 46 G N -0.712 107.992 108.800 -0.161 0.000 2.509 46 G HA2 0.582 4.542 3.960 -0.000 0.000 0.269 46 G HA3 0.582 4.542 3.960 -0.000 0.000 0.269 46 G C 1.321 176.075 174.900 -0.243 0.000 1.416 46 G CA 0.869 45.833 45.100 -0.227 0.000 1.052 46 G HN 0.658 nan 8.290 nan 0.000 0.542 47 S N -0.638 115.019 115.700 -0.071 0.000 2.365 47 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 47 S C 2.489 177.033 174.600 -0.094 0.000 1.039 47 S CA 2.050 60.301 58.200 0.084 0.000 1.033 47 S CB -0.601 62.804 63.200 0.342 0.000 0.887 47 S HN 0.606 nan 8.310 nan 0.000 0.447 48 T N 1.437 115.851 114.554 -0.233 0.000 2.803 48 T HA -0.044 4.306 4.350 -0.000 0.000 0.269 48 T C 1.787 176.030 174.700 -0.762 0.000 1.052 48 T CA 1.285 62.939 62.100 -0.744 0.000 1.136 48 T CB -0.572 68.057 68.868 -0.398 0.000 0.864 48 T HN 0.571 nan 8.240 nan 0.000 0.467 49 G N 0.395 108.956 108.800 -0.398 0.000 3.026 49 G HA2 0.122 4.082 3.960 -0.000 0.000 0.208 49 G HA3 0.122 4.082 3.960 -0.000 0.000 0.208 49 G C 0.162 174.938 174.900 -0.207 0.000 1.169 49 G CA -0.148 44.773 45.100 -0.299 0.000 0.788 49 G HN 0.588 nan 8.290 nan 0.000 0.533 50 E N -1.561 118.511 120.200 -0.212 0.000 2.476 50 E HA -0.297 4.053 4.350 -0.000 0.000 0.251 50 E C 1.726 178.325 176.600 -0.002 0.000 1.130 50 E CA 0.038 56.459 56.400 0.034 0.000 0.736 50 E CB -1.393 28.453 29.700 0.242 0.000 1.298 50 E HN 0.513 nan 8.360 nan 0.000 0.400 51 A N -0.109 122.563 122.820 -0.247 0.000 1.940 51 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 51 A C 1.417 178.846 177.584 -0.259 0.000 1.176 51 A CA 1.598 53.433 52.037 -0.337 0.000 0.631 51 A CB -0.409 18.238 19.000 -0.587 0.000 0.814 51 A HN 0.324 nan 8.150 nan 0.000 0.446 52 F N -0.457 119.618 119.950 0.208 0.000 2.802 52 F HA 0.117 4.645 4.527 0.002 0.000 0.300 52 F C 1.438 177.332 175.800 0.156 0.000 1.168 52 F CA 0.589 58.714 58.000 0.208 0.000 1.433 52 F CB -0.284 38.857 39.000 0.234 0.000 1.115 52 F HN 0.150 nan 8.300 nan 0.000 0.582 53 V N -3.118 116.927 119.914 0.217 0.000 3.070 53 V HA 0.372 4.492 4.120 -0.000 0.000 0.345 53 V C -0.069 176.073 176.094 0.080 0.000 1.403 53 V CA -0.323 62.061 62.300 0.140 0.000 1.155 53 V CB -0.653 31.245 31.823 0.125 0.000 1.140 53 V HN 0.141 nan 8.190 nan 0.000 0.505 54 Q N 1.160 121.021 119.800 0.102 0.000 2.387 54 Q HA 0.678 5.018 4.340 -0.000 0.000 0.273 54 Q C -0.057 175.989 176.000 0.078 0.000 1.089 54 Q CA -0.321 55.533 55.803 0.086 0.000 0.824 54 Q CB 2.647 31.448 28.738 0.104 0.000 1.367 54 Q HN 0.646 nan 8.270 nan 0.000 0.443 55 S N 0.441 116.177 115.700 0.061 0.000 2.669 55 S HA 0.312 4.782 4.470 -0.000 0.000 0.270 55 S C 1.120 175.748 174.600 0.047 0.000 1.225 55 S CA -0.655 57.576 58.200 0.052 0.000 0.991 55 S CB 0.467 63.690 63.200 0.039 0.000 0.987 55 S HN 0.678 nan 8.310 nan 0.000 0.552 56 L N 0.889 122.135 121.223 0.038 0.000 2.042 56 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 56 L C 2.854 179.741 176.870 0.028 0.000 1.076 56 L CA 1.403 56.259 54.840 0.027 0.000 0.749 56 L CB -0.955 41.114 42.059 0.017 0.000 0.893 56 L HN 0.743 nan 8.230 nan 0.000 0.432 57 S N -0.381 115.338 115.700 0.031 0.000 2.382 57 S HA -0.176 4.293 4.470 -0.000 0.000 0.228 57 S C 1.818 176.441 174.600 0.038 0.000 1.027 57 S CA 1.233 59.454 58.200 0.036 0.000 0.991 57 S CB -0.157 63.062 63.200 0.031 0.000 0.823 57 S HN 0.467 nan 8.310 nan 0.000 0.469 58 E N 0.929 121.154 120.200 0.042 0.000 2.072 58 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 58 E C 2.350 178.972 176.600 0.037 0.000 0.985 58 E CA 0.734 57.165 56.400 0.050 0.000 0.801 58 E CB -0.091 29.656 29.700 0.079 0.000 0.750 58 E HN 0.382 nan 8.360 nan 0.000 0.452 59 R N 0.873 121.391 120.500 0.029 0.000 2.092 59 R HA -0.116 4.223 4.340 -0.000 0.000 0.231 59 R C 2.153 178.457 176.300 0.005 0.000 1.119 59 R CA 1.166 57.268 56.100 0.002 0.000 0.970 59 R CB -0.092 30.200 30.300 -0.013 0.000 0.864 59 R HN 0.227 nan 8.270 nan 0.000 0.440 60 E N 0.608 120.832 120.200 0.040 0.000 2.106 60 E HA -0.198 4.151 4.350 -0.000 0.000 0.192 60 E C 2.084 178.709 176.600 0.042 0.000 0.984 60 E CA 0.938 57.409 56.400 0.117 0.000 0.806 60 E CB 0.050 29.846 29.700 0.159 0.000 0.750 60 E HN 0.394 nan 8.360 nan 0.000 0.458 61 Q N 0.294 120.095 119.800 0.002 0.000 2.084 61 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 61 Q C 2.359 178.314 176.000 -0.074 0.000 0.978 61 Q CA 1.234 57.006 55.803 -0.051 0.000 0.844 61 Q CB 0.023 28.749 28.738 -0.021 0.000 0.898 61 Q HN 0.150 nan 8.270 nan 0.000 0.426 62 V N 1.096 120.984 119.914 -0.042 0.000 2.358 62 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 62 V C 2.195 178.278 176.094 -0.020 0.000 1.047 62 V CA 1.466 63.739 62.300 -0.045 0.000 1.035 62 V CB -0.486 31.308 31.823 -0.049 0.000 0.658 62 V HN 0.353 nan 8.190 nan 0.000 0.452 63 L N -0.221 120.999 121.223 -0.006 0.000 2.042 63 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 63 L C 2.609 179.542 176.870 0.105 0.000 1.076 63 L CA 2.127 57.026 54.840 0.098 0.000 0.749 63 L CB -0.594 41.478 42.059 0.021 0.000 0.893 63 L HN 0.438 nan 8.230 nan 0.000 0.432 64 E N 0.715 120.710 120.200 -0.342 0.000 2.051 64 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 64 E C 2.320 178.772 176.600 -0.247 0.000 0.991 64 E CA 1.264 57.270 56.400 -0.656 0.000 0.799 64 E CB -0.025 29.114 29.700 -0.936 0.000 0.748 64 E HN 0.438 nan 8.360 nan 0.000 0.449 65 I N 0.403 120.878 120.570 -0.157 0.000 2.226 65 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 65 I C 2.362 178.445 176.117 -0.058 0.000 1.100 65 I CA 0.721 61.965 61.300 -0.094 0.000 1.374 65 I CB -0.117 37.839 38.000 -0.074 0.000 1.057 65 I HN 0.069 nan 8.210 nan 0.000 0.413 66 V N 0.978 120.884 119.914 -0.013 0.000 2.343 66 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 66 V C 2.719 178.769 176.094 -0.074 0.000 1.051 66 V CA 1.940 64.238 62.300 -0.004 0.000 1.036 66 V CB -1.122 30.750 31.823 0.082 0.000 0.654 66 V HN 0.498 nan 8.190 nan 0.000 0.451 67 A N -0.083 122.687 122.820 -0.084 0.000 1.883 67 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 67 A C 2.170 179.678 177.584 -0.127 0.000 1.186 67 A CA 2.033 53.943 52.037 -0.212 0.000 0.624 67 A CB -0.520 18.432 19.000 -0.081 0.000 0.822 67 A HN 0.645 nan 8.150 nan 0.000 0.444 68 E N -0.413 119.734 120.200 -0.089 0.000 2.058 68 E HA -0.212 4.137 4.350 -0.000 0.000 0.194 68 E C 1.955 178.518 176.600 -0.062 0.000 0.997 68 E CA 1.299 57.658 56.400 -0.069 0.000 0.801 68 E CB -0.219 29.441 29.700 -0.066 0.000 0.746 68 E HN 0.569 nan 8.360 nan 0.000 0.450 69 E N -0.231 119.933 120.200 -0.061 0.000 2.152 69 E HA -0.083 4.266 4.350 -0.000 0.000 0.192 69 E C 1.462 178.030 176.600 -0.053 0.000 0.983 69 E CA 1.055 57.426 56.400 -0.047 0.000 0.818 69 E CB 0.210 29.889 29.700 -0.036 0.000 0.758 69 E HN 0.248 nan 8.360 nan 0.000 0.467 70 A N 0.510 123.282 122.820 -0.080 0.000 2.498 70 A HA 0.096 4.416 4.320 -0.000 0.000 0.238 70 A C 0.938 178.456 177.584 -0.110 0.000 1.225 70 A CA -0.340 51.647 52.037 -0.084 0.000 0.978 70 A CB 0.193 19.145 19.000 -0.080 0.000 1.142 70 A HN 0.004 nan 8.150 nan 0.000 0.552 71 K N 0.504 120.818 120.400 -0.142 0.000 2.504 71 K HA 0.256 4.576 4.320 -0.000 0.000 0.278 71 K C 1.252 177.800 176.600 -0.087 0.000 1.025 71 K CA 1.321 57.519 56.287 -0.148 0.000 1.093 71 K CB -0.185 32.234 32.500 -0.135 0.000 0.873 71 K HN 0.954 nan 8.250 nan 0.000 0.483 72 G N 3.587 112.341 108.800 -0.076 0.000 2.234 72 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.260 72 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.260 72 G C 0.745 175.624 174.900 -0.035 0.000 0.987 72 G CA 0.710 45.783 45.100 -0.045 0.000 0.625 72 G HN 0.696 nan 8.290 nan 0.000 0.532 73 K N -0.248 120.128 120.400 -0.041 0.000 2.244 73 K HA 0.477 4.797 4.320 -0.000 0.000 0.200 73 K C 1.244 177.831 176.600 -0.021 0.000 1.052 73 K CA 1.216 57.486 56.287 -0.028 0.000 0.980 73 K CB 0.420 32.902 32.500 -0.030 0.000 0.838 73 K HN 0.745 nan 8.250 nan 0.000 0.481 74 I N -2.362 118.191 120.570 -0.029 0.000 3.195 74 I HA 0.406 4.576 4.170 -0.000 0.000 0.313 74 I C -1.336 174.769 176.117 -0.020 0.000 1.237 74 I CA -1.529 59.764 61.300 -0.013 0.000 0.963 74 I CB 1.571 39.568 38.000 -0.005 0.000 1.278 74 I HN -0.352 nan 8.210 nan 0.000 0.460 75 K N 2.858 123.264 120.400 0.009 0.000 2.326 75 K HA 0.542 4.861 4.320 -0.000 0.000 0.275 75 K C -0.917 175.686 176.600 0.005 0.000 1.018 75 K CA -0.124 56.175 56.287 0.019 0.000 0.962 75 K CB 0.850 33.391 32.500 0.068 0.000 0.953 75 K HN 0.562 nan 8.250 nan 0.000 0.475 76 L N 4.204 125.415 121.223 -0.019 0.000 2.376 76 L HA 0.492 4.832 4.340 -0.000 0.000 0.275 76 L C -0.266 176.735 176.870 0.219 0.000 0.987 76 L CA -0.585 54.241 54.840 -0.023 0.000 0.828 76 L CB 1.175 42.959 42.059 -0.458 0.000 1.249 76 L HN 0.406 nan 8.230 nan 0.000 0.409 77 I N 2.850 123.584 120.570 0.274 0.000 2.378 77 I HA 0.525 4.695 4.170 -0.000 0.000 0.291 77 I C 0.186 176.363 176.117 0.100 0.000 0.992 77 I CA -0.476 60.961 61.300 0.228 0.000 1.154 77 I CB 2.057 40.162 38.000 0.174 0.000 1.315 77 I HN 0.616 nan 8.210 nan 0.000 0.448 78 A N 4.792 127.575 122.820 -0.062 0.000 2.249 78 A HA 0.359 4.679 4.320 -0.000 0.000 0.314 78 A C -0.615 176.732 177.584 -0.395 0.000 1.290 78 A CA -0.372 51.381 52.037 -0.474 0.000 0.893 78 A CB -0.076 18.324 19.000 -1.001 0.000 1.165 78 A HN 0.780 nan 8.150 nan 0.000 0.530 79 H N 2.541 121.284 119.070 -0.546 0.000 2.800 79 H HA 0.348 4.904 4.556 -0.001 0.000 0.291 79 H C 0.612 175.817 175.328 -0.204 0.000 1.076 79 H CA 0.449 56.261 56.048 -0.394 0.000 1.452 79 H CB 1.033 30.516 29.762 -0.464 0.000 1.461 79 H HN 0.483 nan 8.280 nan 0.000 0.488 80 V N 2.376 121.907 119.914 -0.638 0.000 3.528 80 V HA 0.468 4.588 4.120 -0.000 0.000 0.294 80 V C 1.112 176.965 176.094 -0.402 0.000 1.404 80 V CA 0.090 62.130 62.300 -0.433 0.000 1.065 80 V CB -0.152 31.504 31.823 -0.279 0.000 0.904 80 V HN 0.787 nan 8.190 nan 0.000 0.435 81 G N -0.040 108.332 108.800 -0.713 0.000 2.340 81 G HA2 0.410 4.369 3.960 -0.000 0.000 0.245 81 G HA3 0.410 4.369 3.960 -0.000 0.000 0.245 81 G C -0.322 174.745 174.900 0.278 0.000 1.294 81 G CA 0.441 45.486 45.100 -0.091 0.000 0.896 81 G HN 0.536 nan 8.290 nan 0.000 0.522 82 C N 0.968 120.417 119.300 0.248 0.000 3.213 82 C HA 0.375 4.835 4.460 -0.000 0.000 0.319 82 C C 1.702 176.722 174.990 0.051 0.000 1.386 82 C CA -0.542 58.617 59.018 0.236 0.000 1.494 82 C CB 1.488 29.305 27.740 0.128 0.000 1.905 82 C HN 0.545 nan 8.230 nan 0.000 0.456 83 V N 1.156 120.979 119.914 -0.151 0.000 2.358 83 V HA -0.081 4.039 4.120 -0.000 0.000 0.246 83 V C 1.383 177.406 176.094 -0.118 0.000 1.047 83 V CA 2.021 64.155 62.300 -0.276 0.000 1.035 83 V CB -0.401 31.241 31.823 -0.300 0.000 0.658 83 V HN 0.889 nan 8.190 nan 0.000 0.452 84 S N -0.171 115.514 115.700 -0.024 0.000 2.531 84 S HA 0.010 4.480 4.470 -0.000 0.000 0.279 84 S C 1.355 175.991 174.600 0.061 0.000 1.305 84 S CA 0.240 58.440 58.200 -0.000 0.000 1.058 84 S CB 1.193 64.394 63.200 0.001 0.000 0.899 84 S HN 0.494 nan 8.310 nan 0.000 0.493 85 T N 5.279 119.858 114.554 0.043 0.000 2.777 85 T HA -0.026 4.324 4.350 -0.000 0.000 0.266 85 T C 2.140 176.777 174.700 -0.105 0.000 1.040 85 T CA 1.351 63.429 62.100 -0.036 0.000 1.141 85 T CB -0.559 68.278 68.868 -0.052 0.000 0.868 85 T HN 0.794 nan 8.240 nan 0.000 0.444 86 A N 1.758 124.537 122.820 -0.068 0.000 1.902 86 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 86 A C 2.217 179.763 177.584 -0.063 0.000 1.181 86 A CA 1.513 53.509 52.037 -0.068 0.000 0.623 86 A CB -0.490 18.480 19.000 -0.050 0.000 0.818 86 A HN 0.557 nan 8.150 nan 0.000 0.443 87 E N -0.084 120.091 120.200 -0.042 0.000 2.047 87 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 87 E C 2.304 178.870 176.600 -0.056 0.000 0.987 87 E CA 1.331 57.712 56.400 -0.031 0.000 0.799 87 E CB -0.199 29.502 29.700 0.001 0.000 0.752 87 E HN 0.582 nan 8.360 nan 0.000 0.449 88 S N 1.173 116.830 115.700 -0.071 0.000 2.382 88 S HA -0.200 4.270 4.470 -0.000 0.000 0.228 88 S C 1.946 176.450 174.600 -0.159 0.000 1.027 88 S CA 1.069 59.193 58.200 -0.126 0.000 0.991 88 S CB -0.170 62.918 63.200 -0.187 0.000 0.823 88 S HN 0.266 nan 8.310 nan 0.000 0.469 89 Q N 0.679 120.386 119.800 -0.155 0.000 2.119 89 Q HA -0.137 4.203 4.340 -0.000 0.000 0.201 89 Q C 2.412 178.340 176.000 -0.120 0.000 0.972 89 Q CA 1.101 56.819 55.803 -0.142 0.000 0.847 89 Q CB -0.163 28.498 28.738 -0.127 0.000 0.903 89 Q HN 0.601 nan 8.270 nan 0.000 0.433 90 Q N 0.679 120.418 119.800 -0.102 0.000 2.084 90 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 90 Q C 2.003 177.933 176.000 -0.117 0.000 0.978 90 Q CA 1.006 56.753 55.803 -0.094 0.000 0.844 90 Q CB 0.019 28.718 28.738 -0.066 0.000 0.898 90 Q HN 0.393 nan 8.270 nan 0.000 0.426 91 L N 0.082 121.233 121.223 -0.120 0.000 2.093 91 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 91 L C 2.570 179.324 176.870 -0.194 0.000 1.085 91 L CA 0.839 55.591 54.840 -0.147 0.000 0.755 91 L CB -0.566 41.406 42.059 -0.145 0.000 0.904 91 L HN 0.285 nan 8.230 nan 0.000 0.435 92 A N 0.164 122.878 122.820 -0.177 0.000 1.902 92 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 92 A C 2.531 180.014 177.584 -0.167 0.000 1.181 92 A CA 1.690 53.626 52.037 -0.170 0.000 0.623 92 A CB -0.628 18.288 19.000 -0.140 0.000 0.818 92 A HN 0.389 nan 8.150 nan 0.000 0.443 93 A N -0.689 122.034 122.820 -0.161 0.000 1.930 93 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 93 A C 2.428 179.862 177.584 -0.249 0.000 1.175 93 A CA 1.989 53.930 52.037 -0.161 0.000 0.627 93 A CB -0.736 18.186 19.000 -0.131 0.000 0.815 93 A HN 0.443 nan 8.150 nan 0.000 0.443 94 S N -0.137 115.369 115.700 -0.323 0.000 2.368 94 S HA 0.008 4.478 4.470 -0.000 0.000 0.224 94 S C 2.337 176.466 174.600 -0.785 0.000 1.029 94 S CA 1.048 58.869 58.200 -0.633 0.000 0.988 94 S CB -0.455 62.461 63.200 -0.473 0.000 0.838 94 S HN 0.789 nan 8.310 nan 0.000 0.462 95 A N 2.115 124.690 122.820 -0.409 0.000 1.908 95 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 95 A C 2.098 179.669 177.584 -0.021 0.000 1.181 95 A CA 1.571 53.457 52.037 -0.252 0.000 0.627 95 A CB -0.492 18.295 19.000 -0.354 0.000 0.818 95 A HN 0.256 nan 8.150 nan 0.000 0.445 96 K N -0.135 120.207 120.400 -0.097 0.000 2.026 96 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 96 K C 2.216 178.796 176.600 -0.034 0.000 1.048 96 K CA 1.735 58.005 56.287 -0.028 0.000 0.929 96 K CB -0.381 32.084 32.500 -0.058 0.000 0.713 96 K HN 0.470 nan 8.250 nan 0.000 0.439 97 R N -0.649 119.757 120.500 -0.157 0.000 2.091 97 R HA -0.157 4.183 4.340 -0.000 0.000 0.238 97 R C 2.076 178.392 176.300 0.027 0.000 1.136 97 R CA 1.713 57.732 56.100 -0.135 0.000 0.959 97 R CB -0.215 29.914 30.300 -0.285 0.000 0.856 97 R HN 0.217 nan 8.270 nan 0.000 0.437 98 Y N -1.217 119.154 120.300 0.119 0.000 2.561 98 Y HA 0.216 4.765 4.550 -0.000 0.000 0.291 98 Y C 1.564 177.539 175.900 0.125 0.000 1.141 98 Y CA 0.583 58.775 58.100 0.154 0.000 1.303 98 Y CB -0.007 38.615 38.460 0.270 0.000 1.015 98 Y HN 0.321 nan 8.280 nan 0.000 0.547 99 G N -1.303 107.649 108.800 0.254 0.000 2.134 99 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.209 99 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.209 99 G C -0.060 174.867 174.900 0.045 0.000 0.993 99 G CA -0.632 44.535 45.100 0.111 0.000 0.669 99 G HN 0.114 nan 8.290 nan 0.000 0.519 100 F N 1.056 121.035 119.950 0.048 0.000 2.490 100 F HA 0.327 4.854 4.527 0.000 0.000 0.336 100 F C 1.629 177.443 175.800 0.023 0.000 1.178 100 F CA 0.409 58.428 58.000 0.032 0.000 1.301 100 F CB 0.568 39.581 39.000 0.022 0.000 1.175 100 F HN 0.017 nan 8.300 nan 0.000 0.593 101 D N 0.553 121.038 120.400 0.142 0.000 2.305 101 D HA 0.250 4.890 4.640 -0.000 0.000 0.206 101 D C 0.330 176.710 176.300 0.133 0.000 0.974 101 D CA 0.749 54.811 54.000 0.104 0.000 0.871 101 D CB 0.417 41.260 40.800 0.071 0.000 0.947 101 D HN 0.407 nan 8.370 nan 0.000 0.516 102 A N 0.121 123.051 122.820 0.183 0.000 2.581 102 A HA 0.578 4.898 4.320 -0.000 0.000 0.290 102 A C -1.052 176.606 177.584 0.123 0.000 1.119 102 A CA -0.635 51.489 52.037 0.145 0.000 0.670 102 A CB 1.303 20.396 19.000 0.156 0.000 1.280 102 A HN -0.037 nan 8.150 nan 0.000 0.425 103 V N -2.261 117.699 119.914 0.077 0.000 3.126 103 V HA 1.003 5.123 4.120 -0.000 0.000 0.314 103 V C -0.186 175.954 176.094 0.076 0.000 1.138 103 V CA -0.239 62.066 62.300 0.008 0.000 1.034 103 V CB 1.463 33.265 31.823 -0.035 0.000 1.075 103 V HN 1.744 nan 8.190 nan 0.000 0.442 104 S N 0.257 115.989 115.700 0.054 0.000 2.556 104 S HA 0.911 5.381 4.470 -0.000 0.000 0.271 104 S C -0.944 173.804 174.600 0.245 0.000 1.135 104 S CA 0.087 58.434 58.200 0.246 0.000 0.858 104 S CB 1.724 65.149 63.200 0.376 0.000 1.114 104 S HN 2.328 nan 8.310 nan 0.000 0.468 105 A N 2.289 125.402 122.820 0.489 0.000 2.437 105 A HA 0.673 4.993 4.320 -0.000 0.000 0.293 105 A C -0.539 177.477 177.584 0.720 0.000 1.038 105 A CA -0.521 51.779 52.037 0.439 0.000 0.708 105 A CB 1.284 20.379 19.000 0.159 0.000 1.251 105 A HN 1.200 nan 8.150 nan 0.000 0.409 106 V N 2.965 123.400 119.914 0.870 0.000 2.843 106 V HA 0.438 4.558 4.120 -0.000 0.000 0.305 106 V C 1.014 177.327 176.094 0.365 0.000 1.065 106 V CA 0.736 63.307 62.300 0.452 0.000 1.116 106 V CB 1.141 33.138 31.823 0.290 0.000 0.968 106 V HN 1.352 nan 8.190 nan 0.000 0.487 107 T N 6.741 121.461 114.554 0.277 0.000 2.871 107 T HA 0.176 4.526 4.350 -0.000 0.000 0.296 107 T C -2.339 172.524 174.700 0.272 0.000 0.998 107 T CA -0.904 61.354 62.100 0.263 0.000 1.162 107 T CB 0.424 69.358 68.868 0.110 0.000 0.947 107 T HN 0.746 nan 8.240 nan 0.000 0.536 108 P HA 0.127 nan 4.420 nan 0.000 0.264 108 P C -0.397 177.093 177.300 0.317 0.000 1.183 108 P CA -0.165 62.945 63.100 0.017 0.000 0.763 108 P CB 0.146 31.532 31.700 -0.524 0.000 0.807 109 F N 1.587 121.637 119.950 0.167 0.000 2.629 109 F HA 0.518 5.045 4.527 -0.001 0.000 0.386 109 F C 1.646 177.522 175.800 0.127 0.000 1.135 109 F CA -1.374 56.696 58.000 0.116 0.000 1.116 109 F CB -0.459 38.523 39.000 -0.030 0.000 1.426 109 F HN 0.433 nan 8.300 nan 0.000 0.501 110 Y N -1.260 119.094 120.300 0.091 0.000 2.729 110 Y HA -0.385 4.167 4.550 0.002 0.000 0.483 110 Y C -0.552 175.158 175.900 -0.317 0.000 1.111 110 Y CA 1.693 59.692 58.100 -0.168 0.000 2.927 110 Y CB -1.701 36.536 38.460 -0.372 0.000 0.984 110 Y HN 0.523 nan 8.280 nan 0.000 0.571 111 Y N 4.344 124.560 120.300 -0.140 0.000 2.304 111 Y HA 0.420 4.969 4.550 -0.002 0.000 0.328 111 Y C -1.914 173.479 175.900 -0.845 0.000 1.123 111 Y CA -2.327 55.467 58.100 -0.510 0.000 1.218 111 Y CB 0.129 38.190 38.460 -0.666 0.000 1.207 111 Y HN -0.004 nan 8.280 nan 0.000 0.495 112 P HA 0.193 nan 4.420 nan 0.000 0.281 112 P C -1.207 175.775 177.300 -0.530 0.000 1.252 112 P CA 0.125 63.018 63.100 -0.345 0.000 0.778 112 P CB 0.571 32.174 31.700 -0.162 0.000 0.895 113 F N 0.236 120.178 119.950 -0.013 0.000 2.563 113 F HA 0.314 4.842 4.527 0.002 0.000 0.316 113 F C 1.205 176.959 175.800 -0.076 0.000 1.076 113 F CA -0.611 57.289 58.000 -0.166 0.000 0.921 113 F CB 1.603 40.308 39.000 -0.491 0.000 1.209 113 F HN 0.246 nan 8.300 nan 0.000 0.462 114 S N 1.448 117.237 115.700 0.148 0.000 2.600 114 S HA 0.127 4.597 4.470 -0.000 0.000 0.265 114 S C 0.860 175.624 174.600 0.273 0.000 1.325 114 S CA -0.390 57.922 58.200 0.187 0.000 1.002 114 S CB 0.359 63.637 63.200 0.131 0.000 0.921 114 S HN 0.608 nan 8.310 nan 0.000 0.554 115 F N 0.990 121.076 119.950 0.227 0.000 2.171 115 F HA -0.031 4.495 4.527 -0.002 0.000 0.300 115 F C 2.409 178.336 175.800 0.211 0.000 1.090 115 F CA 2.015 60.188 58.000 0.287 0.000 1.293 115 F CB -0.505 38.601 39.000 0.175 0.000 1.013 115 F HN 0.925 nan 8.300 nan 0.000 0.486 116 E N 0.108 120.334 120.200 0.044 0.000 2.110 116 E HA -0.241 4.108 4.350 -0.000 0.000 0.193 116 E C 2.016 178.550 176.600 -0.110 0.000 0.988 116 E CA 1.576 57.935 56.400 -0.069 0.000 0.804 116 E CB -0.137 29.583 29.700 0.034 0.000 0.745 116 E HN 0.605 nan 8.360 nan 0.000 0.458 117 E N -0.892 119.255 120.200 -0.088 0.000 2.106 117 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 117 E C 1.933 178.390 176.600 -0.238 0.000 0.984 117 E CA 1.012 57.311 56.400 -0.169 0.000 0.806 117 E CB -0.109 29.485 29.700 -0.176 0.000 0.750 117 E HN 0.450 nan 8.360 nan 0.000 0.458 118 H N -0.447 118.547 119.070 -0.126 0.000 2.321 118 H HA -0.114 4.442 4.556 -0.001 0.000 0.300 118 H C 2.271 177.586 175.328 -0.022 0.000 1.087 118 H CA 1.476 57.469 56.048 -0.090 0.000 1.319 118 H CB -0.120 29.654 29.762 0.020 0.000 1.379 118 H HN 0.177 nan 8.280 nan 0.000 0.501 119 C N 0.610 119.852 119.300 -0.097 0.000 2.413 119 C HA -0.156 4.304 4.460 -0.000 0.000 0.276 119 C C 2.291 177.293 174.990 0.021 0.000 1.236 119 C CA 1.129 60.102 59.018 -0.076 0.000 1.735 119 C CB -0.463 27.111 27.740 -0.277 0.000 2.031 119 C HN 0.641 nan 8.230 nan 0.000 0.474 120 D N -0.935 119.444 120.400 -0.035 0.000 2.178 120 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 120 D C 1.734 178.017 176.300 -0.029 0.000 0.980 120 D CA 1.387 55.367 54.000 -0.032 0.000 0.842 120 D CB -0.575 40.191 40.800 -0.057 0.000 0.948 120 D HN 0.669 nan 8.370 nan 0.000 0.472 121 H N -0.454 118.516 119.070 -0.167 0.000 2.293 121 H HA -0.158 4.398 4.556 0.001 0.000 0.300 121 H C 1.728 176.922 175.328 -0.222 0.000 1.082 121 H CA 1.722 57.617 56.048 -0.254 0.000 1.308 121 H CB -0.323 29.208 29.762 -0.384 0.000 1.375 121 H HN 0.102 nan 8.280 nan 0.000 0.495 122 Y N 0.618 120.923 120.300 0.007 0.000 2.181 122 Y HA -0.152 4.397 4.550 -0.001 0.000 0.288 122 Y C 2.798 178.656 175.900 -0.071 0.000 1.146 122 Y CA 1.600 59.678 58.100 -0.036 0.000 1.164 122 Y CB -0.241 38.237 38.460 0.031 0.000 0.982 122 Y HN 0.156 nan 8.280 nan 0.000 0.515 123 R N -0.365 120.186 120.500 0.086 0.000 2.091 123 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 123 R C 2.494 178.777 176.300 -0.028 0.000 1.136 123 R CA 1.278 57.394 56.100 0.027 0.000 0.959 123 R CB -0.714 29.592 30.300 0.010 0.000 0.856 123 R HN 0.342 nan 8.270 nan 0.000 0.437 124 A N 1.155 123.928 122.820 -0.079 0.000 1.933 124 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 124 A C 2.147 179.650 177.584 -0.135 0.000 1.175 124 A CA 1.162 53.132 52.037 -0.112 0.000 0.628 124 A CB -0.413 18.500 19.000 -0.146 0.000 0.814 124 A HN 0.184 nan 8.150 nan 0.000 0.444 125 I N -0.531 119.927 120.570 -0.187 0.000 2.252 125 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 125 I C 2.229 178.298 176.117 -0.081 0.000 1.102 125 I CA 1.097 62.292 61.300 -0.175 0.000 1.385 125 I CB -0.337 37.517 38.000 -0.243 0.000 1.064 125 I HN 0.268 nan 8.210 nan 0.000 0.414 126 I N 0.901 121.454 120.570 -0.030 0.000 2.264 126 I HA -0.330 3.840 4.170 -0.000 0.000 0.248 126 I C 2.182 178.288 176.117 -0.019 0.000 1.111 126 I CA 1.617 62.917 61.300 0.001 0.000 1.382 126 I CB -0.372 37.645 38.000 0.030 0.000 1.060 126 I HN 0.265 nan 8.210 nan 0.000 0.418 127 D N 0.306 120.686 120.400 -0.032 0.000 2.117 127 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 127 D C 2.233 178.507 176.300 -0.044 0.000 0.987 127 D CA 1.374 55.354 54.000 -0.034 0.000 0.829 127 D CB 0.130 40.907 40.800 -0.039 0.000 0.961 127 D HN 0.094 nan 8.370 nan 0.000 0.460 128 S N -0.582 115.081 115.700 -0.062 0.000 2.428 128 S HA 0.004 4.474 4.470 -0.000 0.000 0.230 128 S C 1.897 176.456 174.600 -0.068 0.000 1.014 128 S CA 0.708 58.865 58.200 -0.071 0.000 0.957 128 S CB -0.106 63.038 63.200 -0.094 0.000 0.784 128 S HN 0.423 nan 8.310 nan 0.000 0.499 129 A N 1.244 124.030 122.820 -0.057 0.000 2.209 129 A HA 0.033 4.353 4.320 -0.000 0.000 0.212 129 A C 0.831 178.399 177.584 -0.026 0.000 1.158 129 A CA 0.625 52.636 52.037 -0.044 0.000 0.742 129 A CB -0.523 18.462 19.000 -0.024 0.000 0.790 129 A HN 0.374 nan 8.150 nan 0.000 0.472 130 D N -1.916 118.468 120.400 -0.027 0.000 2.755 130 D HA -0.131 4.509 4.640 -0.000 0.000 0.227 130 D C 1.065 177.363 176.300 -0.005 0.000 1.211 130 D CA 1.874 55.863 54.000 -0.018 0.000 0.663 130 D CB -1.430 39.355 40.800 -0.026 0.000 0.983 130 D HN 1.239 nan 8.370 nan 0.000 0.407 131 G N -0.837 107.965 108.800 0.003 0.000 2.232 131 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.226 131 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.226 131 G C 0.147 175.061 174.900 0.024 0.000 0.996 131 G CA 0.032 45.139 45.100 0.013 0.000 0.626 131 G HN 0.501 nan 8.290 nan 0.000 0.509 132 L N 3.962 125.201 121.223 0.026 0.000 2.410 132 L HA 0.424 4.764 4.340 -0.000 0.000 0.273 132 L C -1.183 175.717 176.870 0.049 0.000 1.144 132 L CA -1.703 53.164 54.840 0.045 0.000 0.863 132 L CB 0.349 42.438 42.059 0.051 0.000 1.140 132 L HN 0.066 nan 8.230 nan 0.000 0.463 133 P HA 0.068 nan 4.420 nan 0.000 0.269 133 P C -0.725 176.625 177.300 0.083 0.000 1.215 133 P CA -0.527 62.612 63.100 0.065 0.000 0.780 133 P CB 0.684 32.424 31.700 0.068 0.000 0.898 134 M N 2.959 122.610 119.600 0.084 0.000 2.300 134 M HA 0.323 4.803 4.480 -0.000 0.000 0.348 134 M C -1.465 174.915 176.300 0.132 0.000 1.151 134 M CA -0.490 54.879 55.300 0.115 0.000 1.046 134 M CB 1.101 33.775 32.600 0.123 0.000 1.647 134 M HN -0.007 nan 8.290 nan 0.000 0.451 135 V N 6.157 126.187 119.914 0.194 0.000 2.328 135 V HA 0.364 4.484 4.120 -0.000 0.000 0.278 135 V C -0.387 175.857 176.094 0.249 0.000 1.021 135 V CA -0.898 61.540 62.300 0.230 0.000 0.838 135 V CB 1.013 33.028 31.823 0.320 0.000 0.999 135 V HN 0.744 nan 8.190 nan 0.000 0.447 136 V N 5.617 125.606 119.914 0.126 0.000 2.585 136 V HA 0.077 4.197 4.120 -0.000 0.000 0.296 136 V C -0.251 176.010 176.094 0.278 0.000 1.035 136 V CA -0.108 62.235 62.300 0.071 0.000 1.084 136 V CB 0.591 32.290 31.823 -0.206 0.000 0.953 136 V HN 0.724 nan 8.190 nan 0.000 0.483 137 Y N 6.120 126.571 120.300 0.252 0.000 2.402 137 Y HA 0.354 4.905 4.550 0.001 0.000 0.332 137 Y C 0.114 176.119 175.900 0.176 0.000 0.960 137 Y CA -1.739 56.493 58.100 0.220 0.000 1.228 137 Y CB 0.811 39.469 38.460 0.328 0.000 1.120 137 Y HN 0.747 nan 8.280 nan 0.000 0.491 138 N N 7.148 126.036 118.700 0.315 0.000 2.457 138 N HA 0.359 5.099 4.740 -0.000 0.000 0.250 138 N C -1.176 174.363 175.510 0.049 0.000 0.982 138 N CA -0.168 52.949 53.050 0.111 0.000 0.941 138 N CB 0.602 39.148 38.487 0.098 0.000 1.120 138 N HN 0.795 nan 8.380 nan 0.000 0.505 139 I N 5.980 126.491 120.570 -0.098 0.000 2.917 139 I HA 0.311 4.481 4.170 -0.000 0.000 0.292 139 I C -2.231 173.853 176.117 -0.055 0.000 1.510 139 I CA -2.135 59.108 61.300 -0.095 0.000 0.858 139 I CB 1.376 39.232 38.000 -0.240 0.000 1.862 139 I HN 0.442 nan 8.210 nan 0.000 0.615 140 P HA -0.231 nan 4.420 nan 0.000 0.216 140 P C 1.581 178.896 177.300 0.025 0.000 1.154 140 P CA 1.983 65.097 63.100 0.022 0.000 0.865 140 P CB 0.227 31.955 31.700 0.047 0.000 0.789 141 A N -0.929 121.932 122.820 0.067 0.000 1.978 141 A HA -0.200 4.119 4.320 -0.000 0.000 0.220 141 A C 2.228 179.824 177.584 0.020 0.000 1.170 141 A CA 1.498 53.577 52.037 0.069 0.000 0.636 141 A CB -0.615 18.478 19.000 0.156 0.000 0.810 141 A HN 0.058 nan 8.150 nan 0.000 0.448 142 R N -0.767 119.722 120.500 -0.019 0.000 2.142 142 R HA 0.016 4.356 4.340 -0.000 0.000 0.204 142 R C 2.546 178.749 176.300 -0.161 0.000 1.059 142 R CA 1.373 57.421 56.100 -0.086 0.000 1.055 142 R CB -0.731 29.508 30.300 -0.102 0.000 0.976 142 R HN 0.667 nan 8.270 nan 0.000 0.483 143 S N -0.631 114.977 115.700 -0.153 0.000 2.436 143 S HA 0.023 4.493 4.470 -0.000 0.000 0.228 143 S C 1.573 176.174 174.600 0.001 0.000 1.014 143 S CA 1.068 59.203 58.200 -0.108 0.000 0.950 143 S CB 0.112 63.281 63.200 -0.053 0.000 0.784 143 S HN 0.486 nan 8.310 nan 0.000 0.504 144 G N 0.252 109.046 108.800 -0.010 0.000 2.179 144 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 144 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 144 G C 0.074 174.992 174.900 0.029 0.000 0.977 144 G CA 0.161 45.264 45.100 0.005 0.000 0.641 144 G HN 0.788 nan 8.290 nan 0.000 0.533 145 V N 1.544 121.484 119.914 0.043 0.000 2.408 145 V HA 0.359 4.479 4.120 -0.000 0.000 0.267 145 V C 0.519 176.628 176.094 0.024 0.000 1.047 145 V CA -0.066 62.265 62.300 0.051 0.000 0.937 145 V CB 1.274 33.117 31.823 0.034 0.000 0.999 145 V HN 0.308 nan 8.190 nan 0.000 0.472 146 K N 6.569 126.987 120.400 0.030 0.000 2.296 146 K HA 0.496 4.816 4.320 -0.000 0.000 0.257 146 K C -0.737 175.868 176.600 0.009 0.000 1.088 146 K CA -0.292 56.006 56.287 0.019 0.000 0.980 146 K CB 0.853 33.364 32.500 0.017 0.000 1.430 146 K HN 0.536 nan 8.250 nan 0.000 0.441 147 L N 2.212 123.435 121.223 0.000 0.000 2.395 147 L HA 0.198 4.537 4.340 -0.000 0.000 0.269 147 L C 1.157 177.995 176.870 -0.054 0.000 1.133 147 L CA -0.393 54.432 54.840 -0.025 0.000 0.812 147 L CB 0.793 42.853 42.059 0.002 0.000 1.125 147 L HN 0.607 nan 8.230 nan 0.000 0.452 148 T N -1.165 113.323 114.554 -0.109 0.000 2.847 148 T HA 0.203 4.553 4.350 -0.000 0.000 0.279 148 T C 1.150 175.787 174.700 -0.105 0.000 0.984 148 T CA -0.789 61.248 62.100 -0.103 0.000 0.988 148 T CB 1.269 70.061 68.868 -0.127 0.000 1.040 148 T HN 0.575 nan 8.240 nan 0.000 0.528 149 L N 0.111 121.279 121.223 -0.092 0.000 2.042 149 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 149 L C 1.981 178.810 176.870 -0.069 0.000 1.076 149 L CA 1.946 56.739 54.840 -0.079 0.000 0.749 149 L CB -0.549 41.449 42.059 -0.102 0.000 0.893 149 L HN 0.722 nan 8.230 nan 0.000 0.432 150 D N -0.552 119.790 120.400 -0.097 0.000 2.144 150 D HA -0.213 4.427 4.640 -0.000 0.000 0.199 150 D C 2.183 178.389 176.300 -0.157 0.000 0.984 150 D CA 1.189 55.130 54.000 -0.098 0.000 0.834 150 D CB -0.056 40.679 40.800 -0.108 0.000 0.955 150 D HN 0.533 nan 8.370 nan 0.000 0.465 151 Q N 0.109 119.721 119.800 -0.314 0.000 2.123 151 Q HA -0.023 4.317 4.340 -0.000 0.000 0.199 151 Q C 2.506 178.456 176.000 -0.084 0.000 0.966 151 Q CA 0.583 56.017 55.803 -0.615 0.000 0.845 151 Q CB 0.105 28.214 28.738 -1.048 0.000 0.907 151 Q HN 0.330 nan 8.270 nan 0.000 0.439 152 I N 1.293 121.836 120.570 -0.045 0.000 2.226 152 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 152 I C 1.768 177.901 176.117 0.028 0.000 1.100 152 I CA 0.758 62.069 61.300 0.019 0.000 1.374 152 I CB -0.373 37.624 38.000 -0.005 0.000 1.057 152 I HN 0.241 nan 8.210 nan 0.000 0.413 153 N N 0.458 119.193 118.700 0.058 0.000 2.166 153 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 153 N C 1.849 177.432 175.510 0.121 0.000 1.019 153 N CA 1.800 54.938 53.050 0.147 0.000 0.856 153 N CB -0.560 38.031 38.487 0.172 0.000 0.993 153 N HN 0.338 nan 8.380 nan 0.000 0.426 154 T N 1.894 116.530 114.554 0.137 0.000 2.777 154 T HA 0.047 4.397 4.350 -0.000 0.000 0.266 154 T C 2.178 176.976 174.700 0.163 0.000 1.040 154 T CA 0.518 62.735 62.100 0.195 0.000 1.141 154 T CB -0.173 68.906 68.868 0.353 0.000 0.868 154 T HN 0.125 nan 8.240 nan 0.000 0.444 155 L N 0.591 121.924 121.223 0.183 0.000 2.046 155 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 155 L C 2.596 179.419 176.870 -0.079 0.000 1.077 155 L CA 0.827 55.680 54.840 0.020 0.000 0.747 155 L CB -0.520 41.520 42.059 -0.031 0.000 0.896 155 L HN 0.125 nan 8.230 nan 0.000 0.432 156 V N -0.132 119.724 119.914 -0.097 0.000 2.809 156 V HA -0.179 3.941 4.120 -0.000 0.000 0.256 156 V C 2.269 178.287 176.094 -0.127 0.000 1.080 156 V CA 2.069 64.262 62.300 -0.178 0.000 1.102 156 V CB -0.393 31.205 31.823 -0.374 0.000 0.705 156 V HN 0.666 nan 8.190 nan 0.000 0.475 157 T N -2.851 111.678 114.554 -0.042 0.000 3.086 157 T HA 0.283 4.633 4.350 -0.000 0.000 0.250 157 T C 0.542 175.254 174.700 0.020 0.000 1.074 157 T CA -0.188 61.922 62.100 0.016 0.000 0.988 157 T CB -0.260 68.657 68.868 0.082 0.000 0.988 157 T HN 0.215 nan 8.240 nan 0.000 0.530 158 L N 3.112 124.338 121.223 0.006 0.000 2.490 158 L HA 0.260 4.600 4.340 -0.000 0.000 0.274 158 L C -1.853 175.025 176.870 0.013 0.000 1.201 158 L CA -1.948 52.900 54.840 0.014 0.000 0.869 158 L CB 0.153 42.216 42.059 0.006 0.000 1.123 158 L HN 0.046 nan 8.230 nan 0.000 0.484 159 P HA 0.039 nan 4.420 nan 0.000 0.267 159 P C 0.659 177.970 177.300 0.019 0.000 1.205 159 P CA 0.526 63.637 63.100 0.018 0.000 0.765 159 P CB 1.010 32.721 31.700 0.018 0.000 0.828 160 G N 1.520 110.331 108.800 0.019 0.000 2.194 160 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.236 160 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.236 160 G C -0.111 174.806 174.900 0.028 0.000 0.987 160 G CA -0.230 44.884 45.100 0.024 0.000 0.635 160 G HN 0.533 nan 8.290 nan 0.000 0.520 161 V N 1.270 121.193 119.914 0.015 0.000 2.432 161 V HA 0.633 4.753 4.120 -0.000 0.000 0.275 161 V C 1.346 177.442 176.094 0.004 0.000 1.043 161 V CA 0.834 63.137 62.300 0.005 0.000 0.925 161 V CB 1.393 33.193 31.823 -0.038 0.000 0.985 161 V HN 0.648 nan 8.190 nan 0.000 0.466 162 G N 3.120 111.935 108.800 0.025 0.000 3.228 162 G HA2 0.648 4.608 3.960 -0.000 0.000 0.245 162 G HA3 0.648 4.608 3.960 -0.000 0.000 0.245 162 G C 0.162 175.067 174.900 0.009 0.000 1.051 162 G CA 0.709 45.821 45.100 0.020 0.000 0.809 162 G HN 1.020 nan 8.290 nan 0.000 0.531 163 A N -0.603 122.231 122.820 0.023 0.000 2.586 163 A HA 0.709 5.029 4.320 -0.000 0.000 0.290 163 A C -2.377 175.234 177.584 0.045 0.000 1.086 163 A CA -0.598 51.445 52.037 0.011 0.000 0.665 163 A CB 1.390 20.451 19.000 0.100 0.000 1.279 163 A HN 0.732 nan 8.150 nan 0.000 0.423 164 L N 0.375 121.618 121.223 0.033 0.000 2.409 164 L HA 0.678 5.018 4.340 -0.000 0.000 0.272 164 L C -0.424 176.560 176.870 0.189 0.000 0.980 164 L CA -0.256 54.630 54.840 0.077 0.000 0.826 164 L CB 1.718 43.772 42.059 -0.009 0.000 1.268 164 L HN 0.699 nan 8.230 nan 0.000 0.407 165 K N 3.701 124.233 120.400 0.221 0.000 2.268 165 K HA 0.348 4.668 4.320 -0.000 0.000 0.276 165 K C -0.700 175.983 176.600 0.140 0.000 1.080 165 K CA -0.467 55.915 56.287 0.158 0.000 0.910 165 K CB 0.877 33.297 32.500 -0.132 0.000 1.163 165 K HN 0.682 nan 8.250 nan 0.000 0.465 166 Q N 3.235 123.098 119.800 0.105 0.000 2.571 166 Q HA 0.142 4.482 4.340 -0.000 0.000 0.222 166 Q C -1.180 174.849 176.000 0.050 0.000 1.167 166 Q CA -0.072 55.782 55.803 0.085 0.000 0.966 166 Q CB 0.843 29.623 28.738 0.071 0.000 1.274 166 Q HN 0.473 nan 8.270 nan 0.000 0.552 167 T N 2.332 116.902 114.554 0.026 0.000 3.579 167 T HA 0.379 4.729 4.350 -0.000 0.000 0.328 167 T C -0.846 173.838 174.700 -0.028 0.000 1.481 167 T CA -0.164 61.828 62.100 -0.181 0.000 1.144 167 T CB -0.146 68.590 68.868 -0.220 0.000 1.205 167 T HN 0.407 nan 8.240 nan 0.000 0.812 168 S N 0.624 116.446 115.700 0.203 0.000 2.546 168 S HA 0.589 5.059 4.470 -0.000 0.000 0.272 168 S C 1.046 175.879 174.600 0.388 0.000 1.140 168 S CA -0.577 57.829 58.200 0.344 0.000 0.920 168 S CB 1.455 64.756 63.200 0.169 0.000 1.083 168 S HN 0.480 nan 8.310 nan 0.000 0.476 169 G N 1.615 110.576 108.800 0.267 0.000 3.088 169 G HA2 0.103 4.063 3.960 -0.000 0.000 0.212 169 G HA3 0.103 4.063 3.960 -0.000 0.000 0.212 169 G C 0.122 175.075 174.900 0.087 0.000 1.173 169 G CA -0.116 45.048 45.100 0.107 0.000 0.779 169 G HN 0.689 nan 8.290 nan 0.000 0.540 170 D N 1.083 121.546 120.400 0.106 0.000 2.435 170 D HA 0.128 4.767 4.640 -0.000 0.000 0.230 170 D C 1.502 177.864 176.300 0.104 0.000 1.215 170 D CA -0.321 53.737 54.000 0.096 0.000 0.947 170 D CB 0.294 41.145 40.800 0.085 0.000 1.048 170 D HN 0.078 nan 8.370 nan 0.000 0.512 171 L N 3.347 124.635 121.223 0.108 0.000 2.552 171 L HA -0.106 4.233 4.340 -0.000 0.000 0.227 171 L C 1.616 178.580 176.870 0.156 0.000 1.146 171 L CA 0.241 55.144 54.840 0.105 0.000 0.858 171 L CB -0.351 41.755 42.059 0.079 0.000 0.969 171 L HN 0.447 nan 8.230 nan 0.000 0.451 172 Y N 1.213 121.523 120.300 0.018 0.000 2.184 172 Y HA -0.239 4.311 4.550 -0.001 0.000 0.290 172 Y C 2.594 178.504 175.900 0.017 0.000 1.129 172 Y CA 1.547 59.654 58.100 0.013 0.000 1.144 172 Y CB -0.430 38.036 38.460 0.010 0.000 0.995 172 Y HN 0.161 nan 8.280 nan 0.000 0.513 173 Q N -0.500 119.269 119.800 -0.051 0.000 2.124 173 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 173 Q C 2.316 178.281 176.000 -0.058 0.000 0.977 173 Q CA 1.972 57.679 55.803 -0.159 0.000 0.850 173 Q CB -0.198 28.491 28.738 -0.082 0.000 0.901 173 Q HN 0.547 nan 8.270 nan 0.000 0.429 174 M N 0.765 120.372 119.600 0.013 0.000 2.080 174 M HA -0.212 4.268 4.480 -0.000 0.000 0.260 174 M C 1.906 178.218 176.300 0.019 0.000 1.068 174 M CA 1.780 57.095 55.300 0.024 0.000 1.109 174 M CB -0.280 32.345 32.600 0.041 0.000 1.342 174 M HN 0.171 nan 8.290 nan 0.000 0.405 175 E N -0.143 120.080 120.200 0.039 0.000 2.077 175 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 175 E C 1.926 178.536 176.600 0.017 0.000 0.989 175 E CA 1.711 58.138 56.400 0.046 0.000 0.800 175 E CB -0.279 29.482 29.700 0.101 0.000 0.746 175 E HN 0.742 nan 8.360 nan 0.000 0.452 176 Q N 0.008 119.786 119.800 -0.037 0.000 2.084 176 Q HA -0.121 4.218 4.340 -0.000 0.000 0.202 176 Q C 2.471 178.452 176.000 -0.031 0.000 0.978 176 Q CA 1.497 57.252 55.803 -0.081 0.000 0.844 176 Q CB -0.096 28.505 28.738 -0.228 0.000 0.898 176 Q HN 0.358 nan 8.270 nan 0.000 0.426 177 I N 0.273 120.845 120.570 0.002 0.000 2.226 177 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 177 I C 2.521 178.710 176.117 0.120 0.000 1.100 177 I CA 0.920 62.278 61.300 0.097 0.000 1.374 177 I CB -0.145 37.892 38.000 0.062 0.000 1.057 177 I HN 0.093 nan 8.210 nan 0.000 0.413 178 R N 1.572 122.102 120.500 0.051 0.000 2.081 178 R HA -0.195 4.145 4.340 -0.000 0.000 0.235 178 R C 2.284 178.595 176.300 0.018 0.000 1.131 178 R CA 1.733 57.855 56.100 0.037 0.000 0.960 178 R CB -0.588 29.720 30.300 0.013 0.000 0.856 178 R HN 0.237 nan 8.270 nan 0.000 0.436 179 R N -0.158 120.340 120.500 -0.002 0.000 2.092 179 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 179 R C 1.862 178.115 176.300 -0.079 0.000 1.119 179 R CA 1.843 57.927 56.100 -0.027 0.000 0.970 179 R CB -0.258 30.032 30.300 -0.017 0.000 0.864 179 R HN 0.269 nan 8.270 nan 0.000 0.440 180 E N -0.304 119.815 120.200 -0.135 0.000 2.285 180 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 180 E C -0.444 175.802 176.600 -0.589 0.000 0.997 180 E CA 1.053 57.240 56.400 -0.356 0.000 0.845 180 E CB 0.264 29.705 29.700 -0.431 0.000 0.782 180 E HN 0.563 nan 8.360 nan 0.000 0.491 181 H N -0.512 118.546 119.070 -0.020 0.000 2.429 181 H HA 0.197 4.753 4.556 -0.001 0.000 0.231 181 H C -1.957 173.358 175.328 -0.022 0.000 1.416 181 H CA -1.533 54.504 56.048 -0.019 0.000 1.443 181 H CB 1.321 31.070 29.762 -0.022 0.000 1.591 181 H HN 0.075 nan 8.280 nan 0.000 0.507 182 P HA -0.200 nan 4.420 nan 0.000 0.217 182 P C 0.289 177.602 177.300 0.023 0.000 1.148 182 P CA 1.332 64.445 63.100 0.022 0.000 0.828 182 P CB 0.633 32.335 31.700 0.003 0.000 0.783 183 D N -0.925 119.496 120.400 0.035 0.000 2.349 183 D HA 0.081 4.720 4.640 -0.000 0.000 0.214 183 D C 0.849 177.152 176.300 0.005 0.000 1.063 183 D CA -0.247 53.764 54.000 0.017 0.000 0.847 183 D CB -0.109 40.702 40.800 0.019 0.000 0.933 183 D HN 0.162 nan 8.370 nan 0.000 0.513 184 L N 1.674 122.908 121.223 0.017 0.000 2.453 184 L HA 0.043 4.383 4.340 -0.000 0.000 0.272 184 L C -0.226 176.592 176.870 -0.087 0.000 1.182 184 L CA -0.085 54.735 54.840 -0.033 0.000 0.858 184 L CB 1.003 43.037 42.059 -0.041 0.000 1.120 184 L HN -0.292 nan 8.230 nan 0.000 0.474 185 V N 6.825 126.658 119.914 -0.135 0.000 2.439 185 V HA 0.148 4.268 4.120 -0.000 0.000 0.271 185 V C -0.015 175.871 176.094 -0.346 0.000 1.040 185 V CA -0.190 61.955 62.300 -0.259 0.000 1.002 185 V CB 0.763 32.416 31.823 -0.285 0.000 1.000 185 V HN 0.601 nan 8.190 nan 0.000 0.477 186 L N 7.785 128.802 121.223 -0.343 0.000 2.345 186 L HA 0.536 4.876 4.340 -0.000 0.000 0.274 186 L C -1.005 175.733 176.870 -0.221 0.000 0.999 186 L CA -0.247 54.452 54.840 -0.235 0.000 0.849 186 L CB 1.112 43.108 42.059 -0.104 0.000 1.220 186 L HN 0.505 nan 8.230 nan 0.000 0.422 187 Y N 3.033 123.330 120.300 -0.005 0.000 2.327 187 Y HA 0.341 4.890 4.550 -0.001 0.000 0.336 187 Y C 0.715 176.612 175.900 -0.005 0.000 1.035 187 Y CA -0.366 57.732 58.100 -0.003 0.000 1.165 187 Y CB 0.714 39.143 38.460 -0.052 0.000 1.181 187 Y HN 0.661 nan 8.280 nan 0.000 0.494 188 N N 1.378 120.194 118.700 0.194 0.000 2.475 188 N HA 0.185 4.925 4.740 -0.000 0.000 0.267 188 N C 0.958 176.544 175.510 0.126 0.000 1.169 188 N CA 0.438 53.575 53.050 0.145 0.000 0.947 188 N CB 0.892 39.462 38.487 0.137 0.000 1.061 188 N HN 0.881 nan 8.380 nan 0.000 0.466 189 G N 2.087 110.902 108.800 0.025 0.000 2.656 189 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.211 189 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.211 189 G C -0.396 174.375 174.900 -0.215 0.000 1.137 189 G CA 0.142 45.148 45.100 -0.157 0.000 0.802 189 G HN 0.541 nan 8.290 nan 0.000 0.527 190 Y N 2.221 122.565 120.300 0.074 0.000 2.454 190 Y HA 0.271 4.821 4.550 -0.001 0.000 0.345 190 Y C 0.776 176.759 175.900 0.139 0.000 0.970 190 Y CA -1.480 56.668 58.100 0.080 0.000 1.204 190 Y CB 1.292 39.801 38.460 0.082 0.000 1.122 190 Y HN 0.024 nan 8.280 nan 0.000 0.514 191 D N 0.956 121.504 120.400 0.247 0.000 2.158 191 D HA -0.227 4.413 4.640 -0.000 0.000 0.197 191 D C 1.733 178.267 176.300 0.391 0.000 0.995 191 D CA 1.511 55.676 54.000 0.276 0.000 0.846 191 D CB 0.030 40.925 40.800 0.159 0.000 0.941 191 D HN 0.695 nan 8.370 nan 0.000 0.456 192 E N 1.142 121.520 120.200 0.297 0.000 2.472 192 E HA -0.136 4.214 4.350 -0.000 0.000 0.200 192 E C 1.645 178.367 176.600 0.204 0.000 1.046 192 E CA 0.513 57.045 56.400 0.220 0.000 0.871 192 E CB -0.438 29.341 29.700 0.132 0.000 0.806 192 E HN 0.563 nan 8.360 nan 0.000 0.533 193 I N -4.490 116.234 120.570 0.256 0.000 3.994 193 I HA 0.292 4.462 4.170 -0.000 0.000 0.323 193 I C 1.218 177.481 176.117 0.243 0.000 1.501 193 I CA -0.758 60.661 61.300 0.200 0.000 1.112 193 I CB -0.269 37.815 38.000 0.140 0.000 1.254 193 I HN -0.246 nan 8.210 nan 0.000 0.495 194 F N 3.150 123.216 119.950 0.193 0.000 2.063 194 F HA -0.309 4.218 4.527 -0.000 0.000 0.298 194 F C 2.487 178.373 175.800 0.144 0.000 1.109 194 F CA 2.702 60.824 58.000 0.202 0.000 1.212 194 F CB -0.100 39.103 39.000 0.338 0.000 0.973 194 F HN 0.245 nan 8.300 nan 0.000 0.480 195 A N -0.928 122.019 122.820 0.211 0.000 1.902 195 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 195 A C 2.342 179.911 177.584 -0.025 0.000 1.181 195 A CA 2.067 54.136 52.037 0.054 0.000 0.623 195 A CB -1.265 17.804 19.000 0.115 0.000 0.818 195 A HN 0.442 nan 8.150 nan 0.000 0.443 196 S N -0.533 115.181 115.700 0.023 0.000 2.402 196 S HA -0.012 4.458 4.470 -0.000 0.000 0.229 196 S C 1.991 176.583 174.600 -0.014 0.000 1.021 196 S CA 0.927 59.134 58.200 0.011 0.000 0.974 196 S CB -0.442 62.780 63.200 0.037 0.000 0.800 196 S HN 0.768 nan 8.310 nan 0.000 0.484 197 G N 1.701 110.481 108.800 -0.034 0.000 2.402 197 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.216 197 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.216 197 G C 1.317 176.141 174.900 -0.126 0.000 1.162 197 G CA 0.393 45.462 45.100 -0.052 0.000 0.777 197 G HN 0.415 nan 8.290 nan 0.000 0.539 198 L N -0.321 120.750 121.223 -0.254 0.000 2.017 198 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 198 L C 2.720 179.522 176.870 -0.113 0.000 1.073 198 L CA 0.641 55.338 54.840 -0.239 0.000 0.745 198 L CB -0.487 41.373 42.059 -0.332 0.000 0.894 198 L HN 0.216 nan 8.230 nan 0.000 0.432 199 L N 0.330 121.505 121.223 -0.081 0.000 2.079 199 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 199 L C 2.505 179.362 176.870 -0.021 0.000 1.081 199 L CA 1.960 56.778 54.840 -0.037 0.000 0.752 199 L CB -0.592 41.455 42.059 -0.020 0.000 0.896 199 L HN 0.162 nan 8.230 nan 0.000 0.433 200 A N -1.825 120.985 122.820 -0.016 0.000 2.119 200 A HA 0.363 4.683 4.320 -0.000 0.000 0.216 200 A C 1.845 179.430 177.584 0.002 0.000 1.152 200 A CA 1.054 53.096 52.037 0.007 0.000 0.708 200 A CB -0.453 18.564 19.000 0.027 0.000 0.805 200 A HN 0.682 nan 8.150 nan 0.000 0.460 201 G N -2.742 106.045 108.800 -0.022 0.000 2.977 201 G HA2 0.298 4.258 3.960 -0.000 0.000 0.211 201 G HA3 0.298 4.258 3.960 -0.000 0.000 0.211 201 G C 0.420 175.297 174.900 -0.039 0.000 0.994 201 G CA 0.039 45.126 45.100 -0.021 0.000 0.795 201 G HN 1.222 nan 8.290 nan 0.000 0.518 202 A N 1.135 123.921 122.820 -0.057 0.000 2.483 202 A HA 0.501 4.821 4.320 -0.000 0.000 0.238 202 A C 0.859 178.389 177.584 -0.089 0.000 1.070 202 A CA 1.121 53.115 52.037 -0.072 0.000 0.770 202 A CB 0.238 19.191 19.000 -0.079 0.000 1.008 202 A HN 0.727 nan 8.150 nan 0.000 0.497 203 D N -0.153 120.196 120.400 -0.084 0.000 2.571 203 D HA 0.455 5.095 4.640 -0.000 0.000 0.239 203 D C 0.298 176.587 176.300 -0.018 0.000 1.267 203 D CA 0.510 54.472 54.000 -0.063 0.000 0.823 203 D CB -0.028 40.733 40.800 -0.066 0.000 1.056 203 D HN 0.951 nan 8.370 nan 0.000 0.494 204 G N -1.786 107.032 108.800 0.030 0.000 2.325 204 G HA2 0.566 4.526 3.960 -0.000 0.000 0.295 204 G HA3 0.566 4.526 3.960 -0.000 0.000 0.295 204 G C -1.053 174.087 174.900 0.400 0.000 1.274 204 G CA -0.329 44.908 45.100 0.229 0.000 0.857 204 G HN 0.631 nan 8.290 nan 0.000 0.499 205 G N -1.335 107.828 108.800 0.606 0.000 2.601 205 G HA2 0.642 4.602 3.960 -0.000 0.000 0.291 205 G HA3 0.642 4.602 3.960 -0.000 0.000 0.291 205 G C -1.844 173.247 174.900 0.318 0.000 1.456 205 G CA -0.583 44.857 45.100 0.567 0.000 0.804 205 G HN 0.846 nan 8.290 nan 0.000 0.499 206 I N 0.506 121.013 120.570 -0.105 0.000 2.499 206 I HA 0.702 4.872 4.170 -0.000 0.000 0.288 206 I C 0.269 175.864 176.117 -0.869 0.000 1.048 206 I CA -0.576 60.391 61.300 -0.555 0.000 1.062 206 I CB 2.403 39.901 38.000 -0.837 0.000 1.238 206 I HN 0.853 nan 8.210 nan 0.000 0.426 207 G N 2.059 109.957 108.800 -1.502 0.000 2.698 207 G HA2 0.362 4.322 3.960 -0.000 0.000 0.293 207 G HA3 0.362 4.322 3.960 -0.000 0.000 0.293 207 G C 0.257 174.599 174.900 -0.929 0.000 1.437 207 G CA -0.019 44.307 45.100 -1.288 0.000 0.852 207 G HN 0.588 nan 8.290 nan 0.000 0.499 208 S N -0.879 114.548 115.700 -0.455 0.000 2.406 208 S HA -0.130 4.340 4.470 -0.000 0.000 0.228 208 S C 2.232 176.763 174.600 -0.117 0.000 1.020 208 S CA 2.133 60.203 58.200 -0.216 0.000 0.965 208 S CB -0.558 62.625 63.200 -0.027 0.000 0.798 208 S HN 1.282 nan 8.310 nan 0.000 0.488 209 T N -1.801 112.704 114.554 -0.082 0.000 3.113 209 T HA 0.055 4.405 4.350 -0.000 0.000 0.263 209 T C 1.325 176.137 174.700 0.187 0.000 1.143 209 T CA 0.250 62.398 62.100 0.081 0.000 1.090 209 T CB -0.706 68.262 68.868 0.167 0.000 0.922 209 T HN 0.365 nan 8.240 nan 0.000 0.521 210 Y N 2.432 122.630 120.300 -0.170 0.000 2.352 210 Y HA 0.086 4.636 4.550 0.000 0.000 0.292 210 Y C 2.385 178.255 175.900 -0.050 0.000 1.136 210 Y CA -0.536 57.468 58.100 -0.160 0.000 1.227 210 Y CB -1.078 37.232 38.460 -0.250 0.000 0.991 210 Y HN 0.355 nan 8.280 nan 0.000 0.545 211 N N 0.745 119.531 118.700 0.144 0.000 2.272 211 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 211 N C 1.635 177.308 175.510 0.271 0.000 1.014 211 N CA 1.878 55.031 53.050 0.172 0.000 0.870 211 N CB -0.139 38.403 38.487 0.092 0.000 0.975 211 N HN 0.561 nan 8.380 nan 0.000 0.433 212 I N -2.730 117.944 120.570 0.173 0.000 4.181 212 I HA 0.253 4.423 4.170 -0.000 0.000 0.331 212 I C 1.038 177.120 176.117 -0.058 0.000 1.312 212 I CA 0.097 61.517 61.300 0.200 0.000 1.146 212 I CB 0.283 38.361 38.000 0.130 0.000 1.074 212 I HN -0.099 nan 8.210 nan 0.000 0.402 213 M N -0.479 118.904 119.600 -0.361 0.000 4.919 213 M HA 0.507 4.987 4.480 -0.000 0.000 0.591 213 M C 0.727 176.466 176.300 -0.936 0.000 2.207 213 M CA -0.094 54.479 55.300 -1.212 0.000 0.471 213 M CB -0.095 32.044 32.600 -0.767 0.000 1.465 213 M HN -0.058 nan 8.290 nan 0.000 0.636 214 G N 1.629 110.158 108.800 -0.453 0.000 2.475 214 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 214 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 214 G C 0.866 175.632 174.900 -0.224 0.000 1.125 214 G CA 1.466 46.437 45.100 -0.215 0.000 0.755 214 G HN 0.956 nan 8.290 nan 0.000 0.565 215 W N 0.739 121.998 121.300 -0.067 0.000 2.425 215 W HA 0.144 4.804 4.660 0.000 0.000 0.277 215 W C 2.277 178.724 176.519 -0.121 0.000 1.231 215 W CA 0.468 57.761 57.345 -0.088 0.000 1.248 215 W CB -0.257 29.157 29.460 -0.078 0.000 1.117 215 W HN 0.026 nan 8.180 nan 0.000 0.568 216 R N -0.400 119.718 120.500 -0.637 0.000 2.075 216 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 216 R C 2.077 178.081 176.300 -0.494 0.000 1.126 216 R CA 1.855 57.652 56.100 -0.505 0.000 0.963 216 R CB -0.934 28.923 30.300 -0.738 0.000 0.858 216 R HN 0.275 nan 8.270 nan 0.000 0.435 217 Y N 0.974 120.985 120.300 -0.482 0.000 2.242 217 Y HA -0.131 4.419 4.550 0.000 0.000 0.291 217 Y C 2.625 178.343 175.900 -0.304 0.000 1.137 217 Y CA 0.907 58.622 58.100 -0.642 0.000 1.181 217 Y CB -0.174 37.491 38.460 -1.326 0.000 0.989 217 Y HN -0.017 nan 8.280 nan 0.000 0.527 218 Q N -0.370 119.377 119.800 -0.089 0.000 2.170 218 Q HA -0.112 4.228 4.340 -0.000 0.000 0.203 218 Q C 2.543 178.576 176.000 0.054 0.000 0.976 218 Q CA 1.367 57.181 55.803 0.019 0.000 0.858 218 Q CB -0.756 28.001 28.738 0.031 0.000 0.907 218 Q HN 0.621 nan 8.270 nan 0.000 0.433 219 G N 0.615 109.429 108.800 0.024 0.000 2.422 219 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.218 219 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.218 219 G C 1.524 176.455 174.900 0.051 0.000 1.140 219 G CA 0.237 45.360 45.100 0.039 0.000 0.775 219 G HN 0.260 nan 8.290 nan 0.000 0.545 220 I N 0.242 120.856 120.570 0.073 0.000 2.286 220 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 220 I C 2.717 178.938 176.117 0.173 0.000 1.104 220 I CA 0.257 61.644 61.300 0.145 0.000 1.397 220 I CB -0.100 38.072 38.000 0.286 0.000 1.072 220 I HN 0.009 nan 8.210 nan 0.000 0.417 221 V N 1.118 121.169 119.914 0.227 0.000 2.255 221 V HA -0.320 3.800 4.120 -0.000 0.000 0.247 221 V C 2.425 178.574 176.094 0.091 0.000 1.051 221 V CA 1.955 64.355 62.300 0.166 0.000 1.018 221 V CB -0.687 31.247 31.823 0.186 0.000 0.641 221 V HN 0.385 nan 8.190 nan 0.000 0.445 222 K N 0.110 120.558 120.400 0.080 0.000 2.057 222 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 222 K C 2.315 178.941 176.600 0.043 0.000 1.049 222 K CA 1.438 57.757 56.287 0.053 0.000 0.931 222 K CB -0.449 32.079 32.500 0.047 0.000 0.714 222 K HN 0.473 nan 8.250 nan 0.000 0.440 223 A N 1.479 124.327 122.820 0.047 0.000 1.902 223 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 223 A C 2.116 179.719 177.584 0.031 0.000 1.181 223 A CA 1.306 53.364 52.037 0.036 0.000 0.623 223 A CB -0.625 18.397 19.000 0.036 0.000 0.818 223 A HN 0.159 nan 8.150 nan 0.000 0.443 224 L N -1.074 120.171 121.223 0.036 0.000 2.109 224 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 224 L C 2.501 179.382 176.870 0.018 0.000 1.086 224 L CA 1.375 56.229 54.840 0.023 0.000 0.760 224 L CB -0.402 41.667 42.059 0.017 0.000 0.910 224 L HN 0.340 nan 8.230 nan 0.000 0.437 225 K N 0.250 120.664 120.400 0.023 0.000 2.209 225 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 225 K C 1.446 178.055 176.600 0.016 0.000 1.048 225 K CA 1.189 57.487 56.287 0.019 0.000 0.940 225 K CB 0.073 32.587 32.500 0.024 0.000 0.729 225 K HN 0.429 nan 8.250 nan 0.000 0.451 226 E N -1.021 119.190 120.200 0.018 0.000 2.474 226 E HA 0.080 4.430 4.350 -0.000 0.000 0.195 226 E C 0.649 177.256 176.600 0.012 0.000 1.039 226 E CA 0.276 56.684 56.400 0.014 0.000 0.881 226 E CB 0.826 30.535 29.700 0.015 0.000 0.970 226 E HN 0.388 nan 8.360 nan 0.000 0.486 227 G N 2.666 111.473 108.800 0.012 0.000 2.148 227 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.254 227 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.254 227 G C -0.051 174.856 174.900 0.011 0.000 0.981 227 G CA 0.319 45.425 45.100 0.010 0.000 0.670 227 G HN 0.291 nan 8.290 nan 0.000 0.528 228 D N 0.976 121.384 120.400 0.014 0.000 2.517 228 D HA 0.335 4.975 4.640 -0.000 0.000 0.220 228 D C 1.907 178.216 176.300 0.016 0.000 1.158 228 D CA -0.790 53.218 54.000 0.014 0.000 0.992 228 D CB -0.314 40.496 40.800 0.015 0.000 1.058 228 D HN 0.116 nan 8.370 nan 0.000 0.516 229 I N 1.822 122.400 120.570 0.013 0.000 2.286 229 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 229 I C 2.103 178.229 176.117 0.015 0.000 1.115 229 I CA 0.963 62.272 61.300 0.014 0.000 1.392 229 I CB -0.655 37.352 38.000 0.011 0.000 1.065 229 I HN 0.419 nan 8.210 nan 0.000 0.418 230 Q N 0.666 120.473 119.800 0.012 0.000 2.061 230 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 230 Q C 2.212 178.219 176.000 0.012 0.000 0.984 230 Q CA 2.614 58.424 55.803 0.011 0.000 0.846 230 Q CB -0.137 28.606 28.738 0.009 0.000 0.902 230 Q HN 0.409 nan 8.270 nan 0.000 0.421 231 T N 0.000 114.562 114.554 0.014 0.000 2.821 231 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 231 T C 1.688 176.397 174.700 0.015 0.000 1.046 231 T CA 1.060 63.168 62.100 0.014 0.000 1.139 231 T CB -0.434 68.444 68.868 0.016 0.000 0.871 231 T HN 0.449 nan 8.240 nan 0.000 0.454 232 A N 1.390 124.223 122.820 0.023 0.000 1.902 232 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 232 A C 2.279 179.881 177.584 0.029 0.000 1.181 232 A CA 1.465 53.522 52.037 0.034 0.000 0.623 232 A CB -0.594 18.431 19.000 0.041 0.000 0.818 232 A HN 0.524 nan 8.150 nan 0.000 0.443 233 Q N -0.847 118.967 119.800 0.023 0.000 2.119 233 Q HA -0.152 4.188 4.340 -0.000 0.000 0.201 233 Q C 2.200 178.206 176.000 0.011 0.000 0.972 233 Q CA 1.286 57.102 55.803 0.020 0.000 0.847 233 Q CB -0.158 28.591 28.738 0.017 0.000 0.903 233 Q HN 0.477 nan 8.270 nan 0.000 0.433 234 K N 1.413 121.817 120.400 0.006 0.000 2.026 234 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 234 K C 1.904 178.495 176.600 -0.016 0.000 1.048 234 K CA 1.256 57.543 56.287 -0.001 0.000 0.929 234 K CB -0.366 32.135 32.500 0.003 0.000 0.713 234 K HN 0.226 nan 8.250 nan 0.000 0.439 235 L N 0.717 121.925 121.223 -0.026 0.000 2.046 235 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 235 L C 2.820 179.627 176.870 -0.104 0.000 1.077 235 L CA 1.393 56.189 54.840 -0.074 0.000 0.747 235 L CB -0.438 41.570 42.059 -0.085 0.000 0.896 235 L HN 0.230 nan 8.230 nan 0.000 0.432 236 Q N -0.169 119.605 119.800 -0.043 0.000 2.084 236 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 236 Q C 2.079 178.071 176.000 -0.013 0.000 0.978 236 Q CA 2.329 58.124 55.803 -0.013 0.000 0.844 236 Q CB -0.353 28.421 28.738 0.060 0.000 0.898 236 Q HN 0.317 nan 8.270 nan 0.000 0.426 237 T N 1.015 115.564 114.554 -0.007 0.000 2.720 237 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 237 T C 1.348 176.039 174.700 -0.015 0.000 1.037 237 T CA 1.435 63.533 62.100 -0.002 0.000 1.144 237 T CB -0.167 68.702 68.868 0.002 0.000 0.864 237 T HN 0.323 nan 8.240 nan 0.000 0.444 238 E N 0.543 120.722 120.200 -0.035 0.000 2.072 238 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 238 E C 2.592 179.155 176.600 -0.062 0.000 0.985 238 E CA 0.646 57.022 56.400 -0.041 0.000 0.801 238 E CB -0.713 28.958 29.700 -0.048 0.000 0.750 238 E HN 0.496 nan 8.360 nan 0.000 0.452 239 C N 1.137 120.369 119.300 -0.114 0.000 2.413 239 C HA -0.106 4.354 4.460 -0.000 0.000 0.276 239 C C 2.386 177.373 174.990 -0.005 0.000 1.248 239 C CA 0.725 59.673 59.018 -0.118 0.000 1.742 239 C CB -1.363 26.240 27.740 -0.228 0.000 2.017 239 C HN 0.509 nan 8.230 nan 0.000 0.481 240 N N 0.188 118.894 118.700 0.011 0.000 2.331 240 N HA -0.109 4.631 4.740 -0.000 0.000 0.180 240 N C 1.716 177.238 175.510 0.020 0.000 1.019 240 N CA 0.767 53.838 53.050 0.034 0.000 0.881 240 N CB -0.090 38.419 38.487 0.037 0.000 0.972 240 N HN 0.594 nan 8.380 nan 0.000 0.435 241 K N 0.641 121.046 120.400 0.008 0.000 2.097 241 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 241 K C 1.977 178.583 176.600 0.010 0.000 1.049 241 K CA 0.821 57.113 56.287 0.009 0.000 0.933 241 K CB -0.006 32.498 32.500 0.006 0.000 0.717 241 K HN -0.010 nan 8.250 nan 0.000 0.442 242 V N 1.584 121.503 119.914 0.009 0.000 2.307 242 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 242 V C 2.111 178.216 176.094 0.019 0.000 1.045 242 V CA 1.562 63.871 62.300 0.014 0.000 1.024 242 V CB -0.328 31.503 31.823 0.013 0.000 0.651 242 V HN 0.271 nan 8.190 nan 0.000 0.449 243 I N 0.091 120.681 120.570 0.034 0.000 2.286 243 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 243 I C 2.254 178.378 176.117 0.011 0.000 1.115 243 I CA 1.422 62.746 61.300 0.040 0.000 1.392 243 I CB -0.495 37.548 38.000 0.073 0.000 1.065 243 I HN 0.315 nan 8.210 nan 0.000 0.418 244 D N 0.784 121.189 120.400 0.007 0.000 2.116 244 D HA -0.213 4.427 4.640 -0.000 0.000 0.193 244 D C 1.985 178.266 176.300 -0.032 0.000 0.998 244 D CA 1.279 55.275 54.000 -0.006 0.000 0.836 244 D CB -0.347 40.453 40.800 0.001 0.000 0.951 244 D HN 0.184 nan 8.370 nan 0.000 0.449 245 L N 0.431 121.634 121.223 -0.034 0.000 2.017 245 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 245 L C 2.111 178.906 176.870 -0.126 0.000 1.073 245 L CA 1.421 56.215 54.840 -0.076 0.000 0.745 245 L CB -0.562 41.474 42.059 -0.039 0.000 0.894 245 L HN 0.040 nan 8.230 nan 0.000 0.432 246 L N -0.945 120.236 121.223 -0.070 0.000 2.131 246 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 246 L C 2.512 179.324 176.870 -0.096 0.000 1.092 246 L CA 1.295 56.091 54.840 -0.072 0.000 0.759 246 L CB -0.492 41.557 42.059 -0.016 0.000 0.903 246 L HN 0.288 nan 8.230 nan 0.000 0.435 247 I N -0.372 120.153 120.570 -0.075 0.000 2.394 247 I HA -0.257 3.913 4.170 -0.000 0.000 0.251 247 I C 2.467 178.522 176.117 -0.102 0.000 1.136 247 I CA 1.240 62.498 61.300 -0.070 0.000 1.425 247 I CB -0.193 37.785 38.000 -0.038 0.000 1.079 247 I HN 0.220 nan 8.210 nan 0.000 0.425 248 K N 0.214 120.522 120.400 -0.154 0.000 2.062 248 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 248 K C 2.120 178.488 176.600 -0.385 0.000 1.051 248 K CA 1.964 58.119 56.287 -0.219 0.000 0.941 248 K CB -0.286 32.063 32.500 -0.252 0.000 0.719 248 K HN 0.440 nan 8.250 nan 0.000 0.440 249 T N -2.095 112.165 114.554 -0.491 0.000 3.043 249 T HA 0.134 4.484 4.350 -0.000 0.000 0.263 249 T C 0.811 175.426 174.700 -0.140 0.000 1.094 249 T CA 0.419 62.252 62.100 -0.445 0.000 1.127 249 T CB 0.174 68.833 68.868 -0.350 0.000 0.905 249 T HN 0.292 nan 8.240 nan 0.000 0.490 250 G N 0.095 108.823 108.800 -0.120 0.000 3.367 250 G HA2 0.011 3.971 3.960 -0.000 0.000 0.686 250 G HA3 0.011 3.971 3.960 -0.000 0.000 0.686 250 G C 0.170 174.998 174.900 -0.121 0.000 1.146 250 G CA -0.497 44.550 45.100 -0.088 0.000 0.913 250 G HN 0.228 nan 8.290 nan 0.000 0.554 251 V N 3.410 123.217 119.914 -0.178 0.000 2.237 251 V HA -0.117 4.003 4.120 -0.000 0.000 0.245 251 V C 2.691 178.785 176.094 -0.000 0.000 1.046 251 V CA 2.690 64.918 62.300 -0.120 0.000 1.007 251 V CB -0.850 30.885 31.823 -0.147 0.000 0.638 251 V HN 0.705 nan 8.190 nan 0.000 0.445 252 F N 1.559 121.420 119.950 -0.148 0.000 2.102 252 F HA -0.150 4.376 4.527 -0.000 0.000 0.298 252 F C 2.660 178.363 175.800 -0.162 0.000 1.105 252 F CA 1.749 59.638 58.000 -0.186 0.000 1.239 252 F CB -1.386 37.424 39.000 -0.317 0.000 0.991 252 F HN 0.243 nan 8.300 nan 0.000 0.474 253 R N 0.257 120.753 120.500 -0.007 0.000 2.092 253 R HA 0.002 4.342 4.340 -0.000 0.000 0.231 253 R C 2.429 178.737 176.300 0.014 0.000 1.119 253 R CA 1.454 57.546 56.100 -0.013 0.000 0.970 253 R CB -1.546 28.738 30.300 -0.028 0.000 0.864 253 R HN 0.250 nan 8.270 nan 0.000 0.440 254 G N 1.720 110.525 108.800 0.008 0.000 2.402 254 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.216 254 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.216 254 G C 1.521 176.450 174.900 0.048 0.000 1.162 254 G CA 0.664 45.778 45.100 0.023 0.000 0.777 254 G HN 0.181 nan 8.290 nan 0.000 0.539 255 L N -0.103 121.151 121.223 0.052 0.000 2.027 255 L HA -0.033 4.307 4.340 -0.000 0.000 0.206 255 L C 2.956 179.845 176.870 0.032 0.000 1.074 255 L CA 1.271 56.143 54.840 0.053 0.000 0.745 255 L CB -0.273 41.823 42.059 0.063 0.000 0.898 255 L HN 0.159 nan 8.230 nan 0.000 0.433 256 K N -0.741 119.668 120.400 0.015 0.000 2.147 256 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 256 K C 2.033 178.632 176.600 -0.002 0.000 1.049 256 K CA 1.678 57.957 56.287 -0.014 0.000 0.936 256 K CB -0.225 32.257 32.500 -0.029 0.000 0.722 256 K HN 0.284 nan 8.250 nan 0.000 0.446 257 T N 0.798 115.365 114.554 0.022 0.000 2.777 257 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 257 T C 1.997 176.767 174.700 0.117 0.000 1.040 257 T CA 0.962 63.083 62.100 0.035 0.000 1.141 257 T CB -0.090 68.832 68.868 0.090 0.000 0.868 257 T HN -0.059 nan 8.240 nan 0.000 0.444 258 V N 1.661 121.663 119.914 0.146 0.000 2.295 258 V HA -0.112 4.008 4.120 -0.000 0.000 0.246 258 V C 2.451 178.601 176.094 0.093 0.000 1.049 258 V CA 1.484 63.893 62.300 0.181 0.000 1.024 258 V CB -0.660 31.240 31.823 0.128 0.000 0.648 258 V HN 0.439 nan 8.190 nan 0.000 0.447 259 L N -0.541 120.685 121.223 0.005 0.000 2.191 259 L HA -0.193 4.146 4.340 -0.000 0.000 0.212 259 L C 2.547 179.354 176.870 -0.104 0.000 1.103 259 L CA 1.701 56.472 54.840 -0.116 0.000 0.769 259 L CB -0.814 41.159 42.059 -0.144 0.000 0.908 259 L HN 0.513 nan 8.230 nan 0.000 0.438 260 H N -0.616 118.357 119.070 -0.162 0.000 2.357 260 H HA -0.190 4.366 4.556 -0.000 0.000 0.301 260 H C 1.980 177.184 175.328 -0.207 0.000 1.082 260 H CA 1.700 57.611 56.048 -0.228 0.000 1.342 260 H CB 0.125 29.685 29.762 -0.336 0.000 1.389 260 H HN 0.261 nan 8.280 nan 0.000 0.511 261 Y N 0.299 120.509 120.300 -0.150 0.000 2.509 261 Y HA -0.030 4.520 4.550 -0.000 0.000 0.293 261 Y C 2.356 178.172 175.900 -0.140 0.000 1.133 261 Y CA 0.647 58.644 58.100 -0.172 0.000 1.283 261 Y CB -0.048 38.389 38.460 -0.039 0.000 1.001 261 Y HN 0.221 nan 8.280 nan 0.000 0.555 262 M N -0.881 118.711 119.600 -0.013 0.000 2.494 262 M HA 0.005 4.485 4.480 -0.000 0.000 0.232 262 M C 0.025 176.254 176.300 -0.118 0.000 1.137 262 M CA 0.595 55.862 55.300 -0.055 0.000 1.012 262 M CB 0.307 32.827 32.600 -0.134 0.000 1.567 262 M HN 0.030 nan 8.290 nan 0.000 0.486 263 D N 0.071 120.380 120.400 -0.152 0.000 2.907 263 D HA -0.143 4.496 4.640 -0.000 0.000 0.226 263 D C 0.476 176.697 176.300 -0.132 0.000 1.141 263 D CA 0.270 54.187 54.000 -0.139 0.000 0.779 263 D CB -0.679 40.075 40.800 -0.077 0.000 1.095 263 D HN 0.197 nan 8.370 nan 0.000 0.430 264 V N -0.986 118.815 119.914 -0.189 0.000 2.627 264 V HA 0.083 4.203 4.120 -0.000 0.000 0.239 264 V C 1.188 177.215 176.094 -0.113 0.000 1.077 264 V CA 0.481 62.664 62.300 -0.194 0.000 1.103 264 V CB 0.675 32.254 31.823 -0.407 0.000 0.802 264 V HN 0.067 nan 8.190 nan 0.000 0.482 265 V N 1.052 120.911 119.914 -0.091 0.000 2.370 265 V HA 0.270 4.390 4.120 -0.000 0.000 0.279 265 V C 1.199 177.330 176.094 0.061 0.000 1.029 265 V CA 0.241 62.518 62.300 -0.037 0.000 0.870 265 V CB 1.243 33.035 31.823 -0.052 0.000 0.984 265 V HN 0.361 nan 8.190 nan 0.000 0.451 266 S N 3.614 119.334 115.700 0.033 0.000 2.355 266 S HA -0.008 4.462 4.470 -0.000 0.000 0.222 266 S C 0.573 175.170 174.600 -0.005 0.000 1.031 266 S CA 0.852 59.096 58.200 0.072 0.000 0.993 266 S CB 0.157 63.369 63.200 0.020 0.000 0.859 266 S HN 0.544 nan 8.310 nan 0.000 0.453 267 V N 3.486 123.352 119.914 -0.079 0.000 2.409 267 V HA 0.294 4.414 4.120 -0.000 0.000 0.290 267 V C -2.281 173.730 176.094 -0.138 0.000 1.017 267 V CA -1.620 60.583 62.300 -0.161 0.000 0.841 267 V CB 1.805 33.586 31.823 -0.070 0.000 1.003 267 V HN 0.137 nan 8.190 nan 0.000 0.426 268 P HA 0.134 nan 4.420 nan 0.000 0.258 268 P C -0.060 177.213 177.300 -0.046 0.000 1.559 268 P CA 0.083 63.109 63.100 -0.123 0.000 0.855 268 P CB 0.207 31.807 31.700 -0.167 0.000 1.594 269 L N -0.211 121.013 121.223 0.001 0.000 2.375 269 L HA 0.299 4.638 4.340 -0.000 0.000 0.271 269 L C 0.827 177.794 176.870 0.162 0.000 1.107 269 L CA -0.568 54.310 54.840 0.065 0.000 0.806 269 L CB 0.901 43.002 42.059 0.070 0.000 1.146 269 L HN 0.054 nan 8.230 nan 0.000 0.447 270 C N 1.397 120.781 119.300 0.139 0.000 2.401 270 C HA 0.494 4.954 4.460 -0.000 0.000 0.356 270 C C 0.462 175.543 174.990 0.151 0.000 1.192 270 C CA -0.892 58.235 59.018 0.182 0.000 2.028 270 C CB 1.653 29.366 27.740 -0.046 0.000 2.344 270 C HN 0.703 nan 8.230 nan 0.000 0.525 271 R N 1.588 122.132 120.500 0.074 0.000 2.490 271 R HA 0.230 4.570 4.340 -0.000 0.000 0.278 271 R C -0.171 176.197 176.300 0.112 0.000 1.069 271 R CA -0.458 55.581 56.100 -0.101 0.000 1.080 271 R CB 0.485 30.547 30.300 -0.396 0.000 1.030 271 R HN 0.556 nan 8.270 nan 0.000 0.491 272 K N 2.835 123.247 120.400 0.020 0.000 2.469 272 K HA 0.017 4.337 4.320 -0.000 0.000 0.274 272 K C -1.265 175.328 176.600 -0.013 0.000 0.983 272 K CA -1.049 55.253 56.287 0.025 0.000 0.974 272 K CB 0.274 32.769 32.500 -0.008 0.000 0.913 272 K HN 0.442 nan 8.250 nan 0.000 0.493 273 P HA -0.037 nan 4.420 nan 0.000 0.242 273 P C -0.086 177.177 177.300 -0.062 0.000 1.197 273 P CA 0.220 63.269 63.100 -0.086 0.000 0.765 273 P CB 0.136 31.758 31.700 -0.131 0.000 0.936 274 F N 1.449 121.412 119.950 0.021 0.000 2.578 274 F HA 0.296 4.823 4.527 0.000 0.000 0.376 274 F C 1.854 177.669 175.800 0.024 0.000 1.085 274 F CA 0.492 58.511 58.000 0.031 0.000 1.260 274 F CB 0.065 39.105 39.000 0.065 0.000 1.095 274 F HN -0.088 nan 8.300 nan 0.000 0.573 275 G N 3.724 112.659 108.800 0.225 0.000 2.535 275 G HA2 0.570 4.530 3.960 -0.000 0.000 0.303 275 G HA3 0.570 4.530 3.960 -0.000 0.000 0.303 275 G C -2.597 172.382 174.900 0.130 0.000 1.237 275 G CA -1.307 43.875 45.100 0.136 0.000 0.986 275 G HN 0.423 nan 8.290 nan 0.000 0.494 276 P HA 0.245 nan 4.420 nan 0.000 0.276 276 P C -0.177 177.176 177.300 0.087 0.000 1.261 276 P CA -0.369 62.775 63.100 0.072 0.000 0.800 276 P CB 1.144 32.874 31.700 0.050 0.000 1.066 277 V N 1.558 121.524 119.914 0.086 0.000 2.715 277 V HA 0.007 4.127 4.120 -0.000 0.000 0.299 277 V C 1.027 177.211 176.094 0.150 0.000 1.054 277 V CA 0.083 62.462 62.300 0.131 0.000 1.077 277 V CB 0.071 31.974 31.823 0.135 0.000 0.972 277 V HN 0.610 nan 8.190 nan 0.000 0.484 278 D N 3.392 123.921 120.400 0.215 0.000 2.450 278 D HA 0.000 4.640 4.640 -0.000 0.000 0.247 278 D C 1.250 177.595 176.300 0.076 0.000 1.162 278 D CA 0.194 54.267 54.000 0.123 0.000 0.879 278 D CB 0.993 41.853 40.800 0.099 0.000 1.163 278 D HN 0.679 nan 8.370 nan 0.000 0.472 279 E N 2.866 123.082 120.200 0.026 0.000 2.171 279 E HA -0.270 4.080 4.350 -0.000 0.000 0.197 279 E C 1.749 178.337 176.600 -0.020 0.000 0.997 279 E CA 1.166 57.582 56.400 0.026 0.000 0.810 279 E CB -0.042 29.666 29.700 0.013 0.000 0.738 279 E HN 0.623 nan 8.360 nan 0.000 0.467 280 K N 0.196 120.508 120.400 -0.147 0.000 2.360 280 K HA -0.161 4.159 4.320 -0.000 0.000 0.201 280 K C 1.113 177.582 176.600 -0.218 0.000 1.046 280 K CA 1.260 57.409 56.287 -0.231 0.000 0.945 280 K CB -0.141 32.135 32.500 -0.372 0.000 0.750 280 K HN 0.156 nan 8.250 nan 0.000 0.464 281 Y N 1.396 121.723 120.300 0.045 0.000 2.523 281 Y HA 0.188 4.738 4.550 -0.000 0.000 0.279 281 Y C 1.855 177.795 175.900 0.067 0.000 1.139 281 Y CA -0.278 57.851 58.100 0.049 0.000 1.296 281 Y CB -0.106 38.385 38.460 0.053 0.000 1.045 281 Y HN -0.084 nan 8.280 nan 0.000 0.538 282 L N 0.246 121.595 121.223 0.210 0.000 2.042 282 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 282 L C -0.382 176.541 176.870 0.089 0.000 1.076 282 L CA 1.406 56.375 54.840 0.215 0.000 0.749 282 L CB -1.780 40.419 42.059 0.234 0.000 0.893 282 L HN 0.153 nan 8.230 nan 0.000 0.432 283 P HA -0.175 nan 4.420 nan 0.000 0.215 283 P C 1.308 178.592 177.300 -0.026 0.000 1.157 283 P CA 1.347 64.431 63.100 -0.026 0.000 0.868 283 P CB 0.046 31.744 31.700 -0.004 0.000 0.788 284 E N -0.767 119.459 120.200 0.044 0.000 2.106 284 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 284 E C 1.984 178.606 176.600 0.037 0.000 0.984 284 E CA 0.807 57.236 56.400 0.049 0.000 0.806 284 E CB -0.571 29.190 29.700 0.102 0.000 0.750 284 E HN 0.238 nan 8.360 nan 0.000 0.458 285 L N 0.856 122.121 121.223 0.070 0.000 2.109 285 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 285 L C 2.582 179.456 176.870 0.007 0.000 1.086 285 L CA 1.006 55.906 54.840 0.100 0.000 0.760 285 L CB -0.234 41.957 42.059 0.220 0.000 0.910 285 L HN 0.027 nan 8.230 nan 0.000 0.437 286 K N 0.464 120.704 120.400 -0.267 0.000 2.057 286 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 286 K C 2.148 178.590 176.600 -0.264 0.000 1.050 286 K CA 1.228 57.107 56.287 -0.680 0.000 0.935 286 K CB -0.050 31.811 32.500 -1.065 0.000 0.715 286 K HN 0.246 nan 8.250 nan 0.000 0.439 287 A N 1.301 124.032 122.820 -0.149 0.000 1.933 287 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 287 A C 2.014 179.587 177.584 -0.018 0.000 1.175 287 A CA 1.279 53.275 52.037 -0.067 0.000 0.628 287 A CB -0.565 18.413 19.000 -0.036 0.000 0.814 287 A HN 0.394 nan 8.150 nan 0.000 0.444 288 L N -0.153 121.073 121.223 0.004 0.000 2.046 288 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 288 L C 2.640 179.553 176.870 0.072 0.000 1.077 288 L CA 2.210 57.077 54.840 0.045 0.000 0.747 288 L CB -0.939 41.154 42.059 0.058 0.000 0.896 288 L HN 0.335 nan 8.230 nan 0.000 0.432 289 A N -0.832 122.031 122.820 0.071 0.000 1.892 289 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 289 A C 2.136 179.773 177.584 0.088 0.000 1.188 289 A CA 1.944 54.046 52.037 0.108 0.000 0.631 289 A CB -0.628 18.454 19.000 0.138 0.000 0.822 289 A HN 0.680 nan 8.150 nan 0.000 0.447 290 Q N -0.772 119.049 119.800 0.035 0.000 2.084 290 Q HA -0.269 4.071 4.340 -0.000 0.000 0.202 290 Q C 2.295 178.325 176.000 0.049 0.000 0.978 290 Q CA 1.750 57.570 55.803 0.028 0.000 0.844 290 Q CB -0.449 28.285 28.738 -0.008 0.000 0.898 290 Q HN 0.920 nan 8.270 nan 0.000 0.426 291 Q N 0.859 120.692 119.800 0.055 0.000 2.061 291 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 291 Q C 2.226 178.298 176.000 0.119 0.000 0.984 291 Q CA 1.096 56.941 55.803 0.070 0.000 0.846 291 Q CB -0.081 28.696 28.738 0.065 0.000 0.902 291 Q HN 0.354 nan 8.270 nan 0.000 0.421 292 L N -0.086 121.244 121.223 0.178 0.000 2.046 292 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 292 L C 2.664 179.684 176.870 0.249 0.000 1.077 292 L CA 1.087 56.125 54.840 0.330 0.000 0.747 292 L CB -0.339 41.962 42.059 0.404 0.000 0.896 292 L HN 0.394 nan 8.230 nan 0.000 0.432 293 M N -1.059 118.637 119.600 0.158 0.000 2.279 293 M HA -0.227 4.253 4.480 -0.000 0.000 0.264 293 M C 2.166 178.458 176.300 -0.014 0.000 1.062 293 M CA 1.579 56.922 55.300 0.073 0.000 1.099 293 M CB -0.265 32.380 32.600 0.075 0.000 1.394 293 M HN 0.313 nan 8.290 nan 0.000 0.426 294 Q N 0.021 119.826 119.800 0.009 0.000 2.311 294 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 294 Q C 1.355 177.319 176.000 -0.059 0.000 0.954 294 Q CA 0.808 56.598 55.803 -0.022 0.000 0.885 294 Q CB 0.071 28.810 28.738 0.002 0.000 0.963 294 Q HN 0.591 nan 8.270 nan 0.000 0.471 295 E N 0.390 120.561 120.200 -0.048 0.000 2.478 295 E HA -0.106 4.243 4.350 -0.000 0.000 0.198 295 E C 1.306 177.701 176.600 -0.342 0.000 1.046 295 E CA 0.350 56.697 56.400 -0.090 0.000 0.870 295 E CB 0.143 29.922 29.700 0.132 0.000 0.818 295 E HN 0.271 nan 8.360 nan 0.000 0.527 296 R N 0.399 120.645 120.500 -0.423 0.000 2.312 296 R HA 0.165 4.505 4.340 -0.000 0.000 0.205 296 R C 0.982 177.111 176.300 -0.285 0.000 0.904 296 R CA 0.386 56.174 56.100 -0.519 0.000 1.052 296 R CB 0.500 30.447 30.300 -0.588 0.000 1.014 296 R HN 0.073 nan 8.270 nan 0.000 0.503 297 G N 0.000 108.687 108.800 -0.188 0.000 5.446 297 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 297 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 297 G CA 0.000 45.026 45.100 -0.122 0.000 0.502 297 G HN 0.000 nan 8.290 nan 0.000 0.925