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 2au3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSSDIDELRR EIDIVDVISE YLNLEKVGSN YRTNCPFHPD DTPSFYVSPS DATA SEQUENCE KQIFKCFGCG VGGDAIKFVS LYEDISYFEA ALELAKRYGK KLDLEKISKD DATA SEQUENCE EKVYVALDRV CDFYRESLLK NREASEYVKS RGIDPKVARK FDLGYAPSSE DATA SEQUENCE ALVKVLKEND LLEAYLETKN LLSPTKGVYR DLFLRRVVIP IKDPRGRVIG DATA SEQUENCE FGGRRIVEDK SPKYINSPDS RVFKKGENLF GLYEAKEYIK EEGFAILVEG DATA SEQUENCE YFDLLRLFSE GIRNVVAPLG TALTQNQANL LSKFTKKVYI LYDGDDAGRK DATA SEQUENCE AMKSAIPLLL SAGVEVYPVY LPEGYDPDEF IKEFGKEELR RLINSSGELF DATA SEQUENCE ETLIKTAREN LEEKTREFRY YLGFISDGVR RFALASEFHT KYKVPMEILL DATA SEQUENCE MKI 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 0.000 176.307 176.300 0.011 0.000 1.140 1 M CA 0.000 55.307 55.300 0.011 0.000 0.988 1 M CB 0.000 32.608 32.600 0.014 0.000 1.302 2 S N 1.067 116.775 115.700 0.014 0.000 2.511 2 S HA 0.600 5.072 4.470 0.004 0.000 0.283 2 S C -1.221 173.389 174.600 0.017 0.000 1.078 2 S CA -0.243 57.966 58.200 0.014 0.000 0.994 2 S CB 1.050 64.258 63.200 0.012 0.000 1.171 2 S HN 0.919 nan 8.310 nan 0.000 0.444 3 S N 1.403 117.116 115.700 0.022 0.000 2.546 3 S HA 0.556 5.029 4.470 0.004 0.000 0.272 3 S C -0.048 174.572 174.600 0.034 0.000 1.140 3 S CA -0.639 57.577 58.200 0.027 0.000 0.920 3 S CB 1.541 64.761 63.200 0.034 0.000 1.083 3 S HN 0.341 nan 8.310 nan 0.000 0.476 4 D N 1.902 122.322 120.400 0.033 0.000 2.133 4 D HA -0.113 4.530 4.640 0.004 0.000 0.195 4 D C 1.606 177.941 176.300 0.059 0.000 0.997 4 D CA 1.480 55.504 54.000 0.040 0.000 0.840 4 D CB -0.212 40.610 40.800 0.037 0.000 0.947 4 D HN 0.568 nan 8.370 nan 0.000 0.452 5 I N 0.760 121.382 120.570 0.086 0.000 2.286 5 I HA -0.211 3.962 4.170 0.004 0.000 0.245 5 I C 1.705 177.884 176.117 0.104 0.000 1.104 5 I CA 1.341 62.723 61.300 0.137 0.000 1.397 5 I CB -0.139 38.006 38.000 0.241 0.000 1.072 5 I HN -0.173 nan 8.210 nan 0.000 0.417 6 D N 0.009 120.455 120.400 0.076 0.000 2.117 6 D HA -0.203 4.440 4.640 0.004 0.000 0.198 6 D C 2.013 178.329 176.300 0.026 0.000 0.982 6 D CA 1.256 55.284 54.000 0.046 0.000 0.828 6 D CB -0.021 40.797 40.800 0.031 0.000 0.967 6 D HN 0.264 nan 8.370 nan 0.000 0.464 7 E N -0.036 120.178 120.200 0.024 0.000 2.077 7 E HA -0.151 4.201 4.350 0.004 0.000 0.193 7 E C 2.160 178.757 176.600 -0.004 0.000 0.989 7 E CA 0.378 56.785 56.400 0.011 0.000 0.800 7 E CB -0.520 29.190 29.700 0.018 0.000 0.746 7 E HN 0.335 nan 8.360 nan 0.000 0.452 8 L N 1.402 122.628 121.223 0.005 0.000 2.017 8 L HA -0.161 4.182 4.340 0.004 0.000 0.208 8 L C 2.249 179.075 176.870 -0.073 0.000 1.073 8 L CA 1.774 56.597 54.840 -0.029 0.000 0.745 8 L CB -0.346 41.720 42.059 0.012 0.000 0.894 8 L HN -0.077 nan 8.230 nan 0.000 0.432 9 R N -0.803 119.685 120.500 -0.020 0.000 2.081 9 R HA -0.129 4.214 4.340 0.004 0.000 0.235 9 R C 2.334 178.605 176.300 -0.049 0.000 1.131 9 R CA 1.707 57.793 56.100 -0.023 0.000 0.960 9 R CB -0.380 29.938 30.300 0.030 0.000 0.856 9 R HN 0.363 nan 8.270 nan 0.000 0.436 10 R N 0.234 120.713 120.500 -0.036 0.000 2.091 10 R HA -0.186 4.157 4.340 0.004 0.000 0.238 10 R C 2.176 178.438 176.300 -0.064 0.000 1.136 10 R CA 1.661 57.741 56.100 -0.034 0.000 0.959 10 R CB -0.174 30.116 30.300 -0.016 0.000 0.856 10 R HN 0.168 nan 8.270 nan 0.000 0.437 11 E N 0.686 120.822 120.200 -0.106 0.000 2.208 11 E HA -0.020 4.332 4.350 0.004 0.000 0.193 11 E C 0.016 176.432 176.600 -0.307 0.000 0.988 11 E CA 0.513 56.823 56.400 -0.151 0.000 0.828 11 E CB 0.124 29.740 29.700 -0.141 0.000 0.763 11 E HN 0.169 nan 8.360 nan 0.000 0.478 12 I N 1.422 121.743 120.570 -0.415 0.000 2.575 12 I HA 0.031 4.204 4.170 0.004 0.000 0.285 12 I C 0.017 176.043 176.117 -0.151 0.000 1.085 12 I CA -0.083 60.913 61.300 -0.507 0.000 1.403 12 I CB 0.668 38.441 38.000 -0.378 0.000 1.409 12 I HN 0.002 nan 8.210 nan 0.000 0.557 13 D N 5.989 126.374 120.400 -0.025 0.000 2.381 13 D HA 0.184 4.827 4.640 0.004 0.000 0.235 13 D C 0.695 177.035 176.300 0.067 0.000 1.068 13 D CA -0.362 53.664 54.000 0.043 0.000 0.832 13 D CB 1.436 42.279 40.800 0.072 0.000 1.101 13 D HN 0.521 nan 8.370 nan 0.000 0.515 14 I N 3.700 124.308 120.570 0.064 0.000 2.335 14 I HA -0.254 3.919 4.170 0.004 0.000 0.251 14 I C 1.544 177.677 176.117 0.025 0.000 1.129 14 I CA 0.988 62.333 61.300 0.074 0.000 1.402 14 I CB 0.420 38.490 38.000 0.117 0.000 1.069 14 I HN 0.281 nan 8.210 nan 0.000 0.424 15 V N 1.123 121.044 119.914 0.012 0.000 2.295 15 V HA -0.314 3.809 4.120 0.004 0.000 0.246 15 V C 2.124 178.151 176.094 -0.111 0.000 1.049 15 V CA 2.284 64.530 62.300 -0.089 0.000 1.024 15 V CB -0.840 30.935 31.823 -0.081 0.000 0.648 15 V HN 0.460 nan 8.190 nan 0.000 0.447 16 D N 0.009 120.394 120.400 -0.026 0.000 2.123 16 D HA -0.158 4.485 4.640 0.004 0.000 0.196 16 D C 2.192 178.494 176.300 0.004 0.000 0.992 16 D CA 1.784 55.779 54.000 -0.009 0.000 0.833 16 D CB -0.511 40.330 40.800 0.069 0.000 0.954 16 D HN 0.452 nan 8.370 nan 0.000 0.455 17 V N 0.689 120.646 119.914 0.070 0.000 2.358 17 V HA -0.160 3.963 4.120 0.004 0.000 0.246 17 V C 2.153 178.290 176.094 0.071 0.000 1.047 17 V CA 1.138 63.508 62.300 0.116 0.000 1.035 17 V CB -0.411 31.552 31.823 0.233 0.000 0.658 17 V HN 0.119 nan 8.190 nan 0.000 0.452 18 I N 0.467 120.968 120.570 -0.114 0.000 2.439 18 I HA -0.130 4.043 4.170 0.004 0.000 0.251 18 I C 2.770 178.765 176.117 -0.203 0.000 1.139 18 I CA 1.656 62.741 61.300 -0.358 0.000 1.438 18 I CB -0.570 37.055 38.000 -0.625 0.000 1.085 18 I HN 0.418 nan 8.210 nan 0.000 0.427 19 S N 0.646 116.238 115.700 -0.180 0.000 2.419 19 S HA -0.170 4.303 4.470 0.004 0.000 0.233 19 S C 1.822 176.329 174.600 -0.155 0.000 1.016 19 S CA 1.202 59.294 58.200 -0.180 0.000 0.974 19 S CB -0.195 62.883 63.200 -0.204 0.000 0.786 19 S HN 0.411 nan 8.310 nan 0.000 0.492 20 E N -0.713 119.390 120.200 -0.162 0.000 2.160 20 E HA -0.170 4.183 4.350 0.004 0.000 0.195 20 E C 1.423 177.804 176.600 -0.364 0.000 0.991 20 E CA 1.383 57.617 56.400 -0.277 0.000 0.810 20 E CB -0.165 29.310 29.700 -0.374 0.000 0.742 20 E HN 0.712 nan 8.360 nan 0.000 0.466 21 Y N -0.128 120.041 120.300 -0.219 0.000 2.396 21 Y HA 0.176 4.729 4.550 0.005 0.000 0.292 21 Y C 1.232 176.987 175.900 -0.241 0.000 1.128 21 Y CA 0.203 58.117 58.100 -0.309 0.000 1.194 21 Y CB 0.531 38.717 38.460 -0.455 0.000 1.124 21 Y HN -0.159 nan 8.280 nan 0.000 0.543 22 L N 0.661 121.843 121.223 -0.067 0.000 2.333 22 L HA 0.386 4.729 4.340 0.004 0.000 0.269 22 L C -0.675 176.128 176.870 -0.111 0.000 1.010 22 L CA -1.117 53.655 54.840 -0.113 0.000 0.818 22 L CB 1.168 43.106 42.059 -0.202 0.000 1.306 22 L HN 0.015 nan 8.230 nan 0.000 0.430 23 N N 3.496 122.142 118.700 -0.089 0.000 2.399 23 N HA 0.293 5.035 4.740 0.004 0.000 0.259 23 N C -0.881 174.596 175.510 -0.055 0.000 1.160 23 N CA 0.063 53.073 53.050 -0.068 0.000 0.946 23 N CB 0.859 39.317 38.487 -0.049 0.000 1.156 23 N HN 0.391 nan 8.380 nan 0.000 0.489 24 L N 1.318 122.510 121.223 -0.052 0.000 2.282 24 L HA 0.322 4.665 4.340 0.004 0.000 0.288 24 L C 0.798 177.742 176.870 0.123 0.000 1.033 24 L CA -0.502 54.344 54.840 0.010 0.000 0.807 24 L CB 1.461 43.451 42.059 -0.115 0.000 1.209 24 L HN 0.372 nan 8.230 nan 0.000 0.423 25 E N 3.738 124.028 120.200 0.150 0.000 2.191 25 E HA 0.177 4.530 4.350 0.004 0.000 0.278 25 E C -0.834 175.871 176.600 0.176 0.000 0.972 25 E CA -0.851 55.633 56.400 0.140 0.000 0.804 25 E CB 1.551 31.280 29.700 0.047 0.000 1.110 25 E HN 0.350 nan 8.360 nan 0.000 0.394 26 K N 3.311 123.765 120.400 0.090 0.000 2.349 26 K HA 0.170 4.492 4.320 0.004 0.000 0.289 26 K C -1.104 175.409 176.600 -0.145 0.000 1.064 26 K CA -0.261 55.885 56.287 -0.234 0.000 0.947 26 K CB 1.000 33.351 32.500 -0.248 0.000 1.007 26 K HN 0.235 nan 8.250 nan 0.000 0.478 27 V N 6.305 126.128 119.914 -0.151 0.000 2.349 27 V HA 0.539 4.661 4.120 0.004 0.000 0.284 27 V C 0.464 176.517 176.094 -0.069 0.000 1.014 27 V CA 0.755 63.023 62.300 -0.053 0.000 0.826 27 V CB 0.194 32.040 31.823 0.037 0.000 1.009 27 V HN 1.125 nan 8.190 nan 0.000 0.431 28 G N 5.762 114.519 108.800 -0.072 0.000 2.622 28 G HA2 -0.362 3.601 3.960 0.004 0.000 0.307 28 G HA3 -0.362 3.601 3.960 0.004 0.000 0.307 28 G C 1.135 175.965 174.900 -0.116 0.000 1.226 28 G CA 1.071 46.127 45.100 -0.074 0.000 0.997 28 G HN 1.984 nan 8.290 nan 0.000 0.551 29 S N 0.817 116.460 115.700 -0.094 0.000 2.593 29 S HA 0.239 4.711 4.470 0.004 0.000 0.217 29 S C 0.804 175.328 174.600 -0.126 0.000 0.966 29 S CA 0.924 59.064 58.200 -0.100 0.000 0.914 29 S CB -0.067 63.104 63.200 -0.050 0.000 0.776 29 S HN 0.672 nan 8.310 nan 0.000 0.523 30 N N 0.250 118.875 118.700 -0.126 0.000 2.525 30 N HA 0.478 5.221 4.740 0.004 0.000 0.288 30 N C -1.561 173.811 175.510 -0.230 0.000 1.242 30 N CA -0.389 52.636 53.050 -0.042 0.000 0.905 30 N CB 0.680 39.246 38.487 0.132 0.000 1.258 30 N HN 0.203 nan 8.380 nan 0.000 0.551 31 Y N -0.314 120.055 120.300 0.115 0.000 2.485 31 Y HA 0.470 5.023 4.550 0.004 0.000 0.345 31 Y C 0.424 176.332 175.900 0.014 0.000 0.998 31 Y CA -0.920 57.216 58.100 0.060 0.000 1.059 31 Y CB 1.791 40.278 38.460 0.045 0.000 1.234 31 Y HN 0.415 nan 8.280 nan 0.000 0.461 32 R N 0.107 120.642 120.500 0.059 0.000 2.808 32 R HA 0.922 5.265 4.340 0.004 0.000 0.272 32 R C -1.452 174.810 176.300 -0.063 0.000 0.995 32 R CA -0.698 55.281 56.100 -0.202 0.000 0.917 32 R CB 2.454 32.344 30.300 -0.684 0.000 1.217 32 R HN 0.682 nan 8.270 nan 0.000 0.471 33 T N -0.415 114.107 114.554 -0.054 0.000 2.693 33 T HA 0.330 4.682 4.350 0.004 0.000 0.304 33 T C -1.490 173.188 174.700 -0.037 0.000 1.471 33 T CA -0.920 61.153 62.100 -0.044 0.000 0.993 33 T CB 1.277 70.107 68.868 -0.064 0.000 1.554 33 T HN 0.684 nan 8.240 nan 0.000 0.496 34 N N 0.926 119.579 118.700 -0.078 0.000 2.529 34 N HA 0.240 4.983 4.740 0.004 0.000 0.278 34 N C -0.073 175.343 175.510 -0.157 0.000 1.146 34 N CA -0.211 52.793 53.050 -0.076 0.000 0.980 34 N CB 1.133 39.566 38.487 -0.090 0.000 1.124 34 N HN 0.654 nan 8.380 nan 0.000 0.458 35 C N 3.534 122.783 119.300 -0.086 0.000 2.648 35 C HA 0.143 4.605 4.460 0.004 0.000 0.419 35 C C -0.758 174.041 174.990 -0.319 0.000 1.352 35 C CA -1.235 57.704 59.018 -0.132 0.000 1.816 35 C CB -0.205 27.699 27.740 0.273 0.000 2.598 35 C HN 0.634 nan 8.230 nan 0.000 0.598 36 P HA 0.107 nan 4.420 nan 0.000 0.255 36 P C 0.513 177.509 177.300 -0.506 0.000 1.248 36 P CA 0.900 63.644 63.100 -0.593 0.000 0.807 36 P CB 0.003 31.244 31.700 -0.764 0.000 1.150 37 F N -0.649 119.327 119.950 0.043 0.000 2.694 37 F HA 0.185 4.714 4.527 0.003 0.000 0.292 37 F C 1.571 177.470 175.800 0.164 0.000 1.121 37 F CA -0.278 57.776 58.000 0.090 0.000 1.352 37 F CB -0.404 38.694 39.000 0.163 0.000 1.107 37 F HN 0.031 nan 8.300 nan 0.000 0.597 38 H N -0.253 118.946 119.070 0.215 0.000 2.865 38 H HA 0.490 5.048 4.556 0.003 0.000 0.372 38 H C -3.244 172.143 175.328 0.099 0.000 1.173 38 H CA -2.482 53.658 56.048 0.154 0.000 1.147 38 H CB 1.993 31.864 29.762 0.182 0.000 1.805 38 H HN -0.221 nan 8.280 nan 0.000 0.553 39 P HA 0.207 nan 4.420 nan 0.000 0.247 39 P C -1.416 175.798 177.300 -0.143 0.000 1.683 39 P CA -0.168 62.831 63.100 -0.168 0.000 1.143 39 P CB 0.496 32.181 31.700 -0.025 0.000 1.577 40 D N 1.259 121.497 120.400 -0.270 0.000 2.575 40 D HA 0.114 4.757 4.640 0.004 0.000 0.236 40 D C 0.722 177.015 176.300 -0.012 0.000 1.075 40 D CA -0.688 53.294 54.000 -0.031 0.000 0.860 40 D CB 1.008 41.895 40.800 0.145 0.000 1.475 40 D HN 0.060 nan 8.370 nan 0.000 0.474 41 D N 0.442 120.856 120.400 0.024 0.000 2.254 41 D HA -0.196 4.447 4.640 0.004 0.000 0.201 41 D C 0.337 176.653 176.300 0.026 0.000 0.998 41 D CA 1.466 55.480 54.000 0.023 0.000 0.885 41 D CB -0.461 40.360 40.800 0.036 0.000 0.915 41 D HN 0.408 nan 8.370 nan 0.000 0.460 42 T N -0.580 114.002 114.554 0.048 0.000 2.881 42 T HA 0.474 4.826 4.350 0.004 0.000 0.290 42 T C -3.017 171.722 174.700 0.066 0.000 1.000 42 T CA -2.210 59.923 62.100 0.055 0.000 0.978 42 T CB 1.866 70.779 68.868 0.075 0.000 0.997 42 T HN -0.311 nan 8.240 nan 0.000 0.443 43 P HA 0.207 nan 4.420 nan 0.000 0.258 43 P C -0.210 177.121 177.300 0.052 0.000 1.187 43 P CA 0.138 63.246 63.100 0.013 0.000 0.767 43 P CB 0.496 32.167 31.700 -0.048 0.000 0.770 44 S N 1.941 117.743 115.700 0.170 0.000 2.780 44 S HA 0.206 4.678 4.470 0.004 0.000 0.248 44 S C -0.183 174.706 174.600 0.481 0.000 1.036 44 S CA -0.206 58.206 58.200 0.354 0.000 1.061 44 S CB -0.149 63.324 63.200 0.455 0.000 1.037 44 S HN 0.423 nan 8.310 nan 0.000 0.584 45 F N 2.669 122.685 119.950 0.109 0.000 2.361 45 F HA 0.572 5.101 4.527 0.003 0.000 0.364 45 F C -1.108 174.713 175.800 0.035 0.000 1.117 45 F CA -0.879 57.257 58.000 0.226 0.000 1.071 45 F CB 0.510 39.616 39.000 0.177 0.000 1.188 45 F HN 0.039 nan 8.300 nan 0.000 0.464 46 Y N 4.365 124.701 120.300 0.060 0.000 2.409 46 Y HA 0.634 5.186 4.550 0.003 0.000 0.339 46 Y C -0.696 175.243 175.900 0.065 0.000 1.033 46 Y CA -1.090 57.075 58.100 0.108 0.000 1.094 46 Y CB 2.047 40.560 38.460 0.089 0.000 1.210 46 Y HN 0.208 nan 8.280 nan 0.000 0.456 47 V N 2.270 122.371 119.914 0.311 0.000 2.444 47 V HA 0.340 4.463 4.120 0.004 0.000 0.294 47 V C -0.467 175.795 176.094 0.279 0.000 1.022 47 V CA -0.793 61.673 62.300 0.277 0.000 0.850 47 V CB 1.669 33.647 31.823 0.258 0.000 0.992 47 V HN 0.760 nan 8.190 nan 0.000 0.426 48 S N 6.444 122.270 115.700 0.211 0.000 2.420 48 S HA 0.454 4.927 4.470 0.004 0.000 0.313 48 S C -1.577 173.114 174.600 0.152 0.000 1.079 48 S CA -1.474 56.823 58.200 0.162 0.000 1.104 48 S CB 1.611 64.877 63.200 0.110 0.000 0.969 48 S HN 0.529 nan 8.310 nan 0.000 0.471 49 P HA -0.102 nan 4.420 nan 0.000 0.218 49 P C 1.446 178.799 177.300 0.089 0.000 1.148 49 P CA 1.096 64.281 63.100 0.141 0.000 0.822 49 P CB 0.016 31.814 31.700 0.164 0.000 0.784 50 S N -1.053 114.688 115.700 0.068 0.000 2.446 50 S HA 0.032 4.505 4.470 0.004 0.000 0.225 50 S C 1.676 176.302 174.600 0.043 0.000 1.016 50 S CA 0.623 58.849 58.200 0.044 0.000 0.943 50 S CB -0.599 62.616 63.200 0.024 0.000 0.786 50 S HN 0.154 nan 8.310 nan 0.000 0.508 51 K N 0.069 120.501 120.400 0.053 0.000 2.352 51 K HA 0.223 4.546 4.320 0.004 0.000 0.194 51 K C 0.002 176.639 176.600 0.062 0.000 1.038 51 K CA 0.148 56.468 56.287 0.055 0.000 1.023 51 K CB 0.123 32.656 32.500 0.056 0.000 0.840 51 K HN 0.048 nan 8.250 nan 0.000 0.519 52 Q N 0.229 120.075 119.800 0.076 0.000 2.487 52 Q HA -0.178 4.164 4.340 0.004 0.000 0.279 52 Q C -0.443 175.616 176.000 0.099 0.000 1.228 52 Q CA 1.144 56.998 55.803 0.085 0.000 0.873 52 Q CB -2.199 26.576 28.738 0.062 0.000 1.260 52 Q HN 0.610 nan 8.270 nan 0.000 0.471 53 I N -3.653 116.978 120.570 0.102 0.000 3.145 53 I HA 0.841 5.014 4.170 0.004 0.000 0.313 53 I C -0.041 176.162 176.117 0.143 0.000 1.122 53 I CA -1.568 59.778 61.300 0.078 0.000 0.987 53 I CB 1.953 39.938 38.000 -0.026 0.000 1.236 53 I HN -0.076 nan 8.210 nan 0.000 0.453 54 F N 1.152 121.125 119.950 0.038 0.000 2.556 54 F HA 0.903 5.432 4.527 0.004 0.000 0.327 54 F C -0.723 175.018 175.800 -0.098 0.000 1.059 54 F CA -0.988 56.967 58.000 -0.075 0.000 0.953 54 F CB 1.509 40.432 39.000 -0.129 0.000 1.227 54 F HN 0.574 nan 8.300 nan 0.000 0.478 55 K N 1.844 122.193 120.400 -0.085 0.000 2.589 55 K HA 0.383 4.706 4.320 0.004 0.000 0.253 55 K C -2.087 174.575 176.600 0.103 0.000 0.974 55 K CA -0.352 55.888 56.287 -0.078 0.000 0.835 55 K CB 1.453 33.920 32.500 -0.054 0.000 1.272 55 K HN 1.102 nan 8.250 nan 0.000 0.444 56 C N 6.097 125.493 119.300 0.161 0.000 2.373 56 C HA 0.455 4.918 4.460 0.004 0.000 0.354 56 C C 0.650 175.838 174.990 0.330 0.000 1.249 56 C CA -0.591 58.656 59.018 0.381 0.000 1.784 56 C CB -1.268 26.805 27.740 0.556 0.000 2.408 56 C HN 0.876 nan 8.230 nan 0.000 0.542 57 F N 3.619 123.721 119.950 0.253 0.000 2.802 57 F HA 0.188 4.716 4.527 0.002 0.000 0.300 57 F C 2.004 177.898 175.800 0.157 0.000 1.168 57 F CA 1.085 59.193 58.000 0.179 0.000 1.433 57 F CB -0.245 38.871 39.000 0.194 0.000 1.115 57 F HN 0.814 nan 8.300 nan 0.000 0.582 58 G N -1.118 107.878 108.800 0.327 0.000 2.556 58 G HA2 -0.123 3.840 3.960 0.004 0.000 0.209 58 G HA3 -0.123 3.840 3.960 0.004 0.000 0.209 58 G C 1.466 176.159 174.900 -0.345 0.000 1.159 58 G CA 0.817 45.983 45.100 0.112 0.000 0.828 58 G HN 0.478 nan 8.290 nan 0.000 0.553 59 C N -1.814 117.222 119.300 -0.439 0.000 3.230 59 C HA 0.632 5.095 4.460 0.004 0.000 0.300 59 C C 2.091 177.051 174.990 -0.050 0.000 1.292 59 C CA 0.314 59.155 59.018 -0.295 0.000 1.707 59 C CB 0.206 27.781 27.740 -0.276 0.000 2.181 59 C HN 1.219 nan 8.230 nan 0.000 0.655 60 G N 0.888 109.690 108.800 0.003 0.000 2.195 60 G HA2 -0.223 3.740 3.960 0.004 0.000 0.246 60 G HA3 -0.223 3.740 3.960 0.004 0.000 0.246 60 G C 0.155 175.066 174.900 0.018 0.000 0.984 60 G CA 0.256 45.343 45.100 -0.021 0.000 0.633 60 G HN 1.162 nan 8.290 nan 0.000 0.525 61 V N 1.207 121.197 119.914 0.126 0.000 2.720 61 V HA 0.490 4.613 4.120 0.004 0.000 0.307 61 V C 0.980 177.134 176.094 0.100 0.000 1.071 61 V CA 1.715 64.126 62.300 0.185 0.000 1.199 61 V CB 1.099 33.145 31.823 0.371 0.000 0.900 61 V HN 1.550 nan 8.190 nan 0.000 0.494 62 G N 3.109 111.805 108.800 -0.173 0.000 2.646 62 G HA2 0.808 4.770 3.960 0.004 0.000 0.291 62 G HA3 0.808 4.770 3.960 0.004 0.000 0.291 62 G C -0.562 173.766 174.900 -0.953 0.000 1.445 62 G CA 0.081 44.728 45.100 -0.756 0.000 0.814 62 G HN 1.500 nan 8.290 nan 0.000 0.495 63 G N -0.122 107.885 108.800 -1.321 0.000 2.345 63 G HA2 0.545 4.507 3.960 0.004 0.000 0.285 63 G HA3 0.545 4.507 3.960 0.004 0.000 0.285 63 G C -1.250 173.529 174.900 -0.202 0.000 1.297 63 G CA 0.349 45.129 45.100 -0.533 0.000 0.875 63 G HN 1.155 nan 8.290 nan 0.000 0.506 64 D N -0.315 120.171 120.400 0.143 0.000 2.478 64 D HA 0.652 5.295 4.640 0.004 0.000 0.274 64 D C 1.691 178.244 176.300 0.422 0.000 1.234 64 D CA 0.484 54.633 54.000 0.247 0.000 1.069 64 D CB 0.632 41.540 40.800 0.179 0.000 1.113 64 D HN 0.948 nan 8.370 nan 0.000 0.571 65 A N -0.322 122.668 122.820 0.284 0.000 1.898 65 A HA -0.084 4.239 4.320 0.004 0.000 0.216 65 A C 2.401 180.118 177.584 0.222 0.000 1.181 65 A CA 1.299 53.492 52.037 0.261 0.000 0.620 65 A CB -1.043 18.047 19.000 0.151 0.000 0.819 65 A HN 0.602 nan 8.150 nan 0.000 0.442 66 I N -0.364 120.255 120.570 0.080 0.000 2.208 66 I HA -0.300 3.873 4.170 0.004 0.000 0.245 66 I C 2.532 178.581 176.117 -0.113 0.000 1.097 66 I CA 2.004 63.220 61.300 -0.140 0.000 1.363 66 I CB -0.230 37.447 38.000 -0.539 0.000 1.051 66 I HN 0.412 nan 8.210 nan 0.000 0.413 67 K N 0.982 121.455 120.400 0.122 0.000 2.057 67 K HA -0.245 4.077 4.320 0.004 0.000 0.207 67 K C 2.220 178.988 176.600 0.280 0.000 1.049 67 K CA 1.519 57.980 56.287 0.290 0.000 0.931 67 K CB -0.324 32.451 32.500 0.458 0.000 0.714 67 K HN 0.164 nan 8.250 nan 0.000 0.440 68 F N 1.056 121.156 119.950 0.249 0.000 2.095 68 F HA -0.240 4.289 4.527 0.004 0.000 0.298 68 F C 1.722 177.496 175.800 -0.044 0.000 1.104 68 F CA 1.654 59.633 58.000 -0.035 0.000 1.232 68 F CB -0.400 38.461 39.000 -0.232 0.000 0.987 68 F HN -0.164 nan 8.300 nan 0.000 0.475 69 V N -0.596 119.321 119.914 0.005 0.000 2.343 69 V HA -0.301 3.822 4.120 0.004 0.000 0.247 69 V C 2.648 178.668 176.094 -0.123 0.000 1.051 69 V CA 1.963 64.202 62.300 -0.101 0.000 1.036 69 V CB -1.140 30.738 31.823 0.092 0.000 0.654 69 V HN 0.531 nan 8.190 nan 0.000 0.451 70 S N -0.358 115.287 115.700 -0.091 0.000 2.374 70 S HA -0.185 4.288 4.470 0.004 0.000 0.227 70 S C 1.887 176.411 174.600 -0.127 0.000 1.037 70 S CA 1.907 60.059 58.200 -0.080 0.000 1.024 70 S CB -0.284 62.891 63.200 -0.041 0.000 0.861 70 S HN 0.524 nan 8.310 nan 0.000 0.456 71 L N -0.864 120.225 121.223 -0.222 0.000 2.068 71 L HA 0.025 4.367 4.340 0.004 0.000 0.204 71 L C 2.342 179.057 176.870 -0.258 0.000 1.076 71 L CA 1.448 56.065 54.840 -0.370 0.000 0.753 71 L CB -0.712 40.878 42.059 -0.781 0.000 0.910 71 L HN 0.344 nan 8.230 nan 0.000 0.439 72 Y N 1.128 121.184 120.300 -0.406 0.000 2.165 72 Y HA -0.243 4.309 4.550 0.004 0.000 0.286 72 Y C 2.469 178.265 175.900 -0.173 0.000 1.155 72 Y CA 1.610 59.509 58.100 -0.335 0.000 1.164 72 Y CB 0.201 38.116 38.460 -0.909 0.000 0.978 72 Y HN 0.149 nan 8.280 nan 0.000 0.513 73 E N -0.358 119.839 120.200 -0.005 0.000 2.479 73 E HA -0.052 4.300 4.350 0.004 0.000 0.193 73 E C -0.011 176.577 176.600 -0.020 0.000 1.049 73 E CA 0.858 57.282 56.400 0.040 0.000 0.870 73 E CB -0.214 29.545 29.700 0.098 0.000 0.944 73 E HN 0.432 nan 8.360 nan 0.000 0.492 74 D N 0.803 121.165 120.400 -0.063 0.000 2.705 74 D HA -0.176 4.467 4.640 0.004 0.000 0.240 74 D C -0.400 175.882 176.300 -0.029 0.000 1.137 74 D CA 0.539 54.504 54.000 -0.058 0.000 0.677 74 D CB -1.312 39.455 40.800 -0.054 0.000 1.049 74 D HN 0.430 nan 8.370 nan 0.000 0.427 75 I N -3.375 117.181 120.570 -0.024 0.000 3.239 75 I HA 0.652 4.825 4.170 0.004 0.000 0.314 75 I C 0.389 176.506 176.117 -0.000 0.000 1.126 75 I CA -0.817 60.482 61.300 -0.001 0.000 0.973 75 I CB 1.852 39.862 38.000 0.017 0.000 1.252 75 I HN 0.090 nan 8.210 nan 0.000 0.463 76 S N 1.181 116.896 115.700 0.026 0.000 2.593 76 S HA 0.107 4.580 4.470 0.004 0.000 0.269 76 S C 0.870 175.493 174.600 0.039 0.000 1.334 76 S CA -0.119 58.109 58.200 0.046 0.000 1.015 76 S CB 0.668 63.922 63.200 0.091 0.000 0.912 76 S HN 0.794 nan 8.310 nan 0.000 0.541 77 Y N 2.012 122.235 120.300 -0.129 0.000 2.069 77 Y HA -0.218 4.334 4.550 0.004 0.000 0.278 77 Y C 1.555 177.332 175.900 -0.206 0.000 1.175 77 Y CA 2.165 60.121 58.100 -0.239 0.000 1.134 77 Y CB -0.502 37.687 38.460 -0.452 0.000 0.965 77 Y HN 0.721 nan 8.280 nan 0.000 0.498 78 F N 0.344 120.408 119.950 0.189 0.000 2.259 78 F HA -0.073 4.457 4.527 0.005 0.000 0.298 78 F C 2.267 178.086 175.800 0.031 0.000 1.088 78 F CA 1.358 59.422 58.000 0.105 0.000 1.358 78 F CB -0.757 38.328 39.000 0.142 0.000 1.040 78 F HN 0.116 nan 8.300 nan 0.000 0.505 79 E N 0.283 120.593 120.200 0.185 0.000 2.058 79 E HA -0.236 4.117 4.350 0.004 0.000 0.194 79 E C 2.450 179.082 176.600 0.053 0.000 0.997 79 E CA 1.238 57.699 56.400 0.101 0.000 0.801 79 E CB -0.347 29.398 29.700 0.075 0.000 0.746 79 E HN 0.358 nan 8.360 nan 0.000 0.450 80 A N 1.375 124.190 122.820 -0.008 0.000 1.902 80 A HA -0.113 4.210 4.320 0.004 0.000 0.217 80 A C 2.397 179.953 177.584 -0.047 0.000 1.181 80 A CA 1.631 53.642 52.037 -0.043 0.000 0.623 80 A CB -0.660 18.265 19.000 -0.125 0.000 0.818 80 A HN 0.303 nan 8.150 nan 0.000 0.443 81 A N -0.488 122.274 122.820 -0.097 0.000 1.917 81 A HA -0.114 4.209 4.320 0.004 0.000 0.219 81 A C 2.123 179.746 177.584 0.065 0.000 1.182 81 A CA 1.893 53.916 52.037 -0.023 0.000 0.633 81 A CB -0.605 18.442 19.000 0.078 0.000 0.819 81 A HN 0.649 nan 8.150 nan 0.000 0.448 82 L N -0.289 120.985 121.223 0.086 0.000 2.093 82 L HA -0.083 4.260 4.340 0.004 0.000 0.208 82 L C 2.231 179.147 176.870 0.077 0.000 1.085 82 L CA 2.645 57.535 54.840 0.084 0.000 0.755 82 L CB -0.718 41.389 42.059 0.081 0.000 0.904 82 L HN 0.500 nan 8.230 nan 0.000 0.435 83 E N -0.442 119.802 120.200 0.074 0.000 2.077 83 E HA -0.195 4.157 4.350 0.004 0.000 0.193 83 E C 2.155 178.817 176.600 0.102 0.000 0.989 83 E CA 1.603 58.051 56.400 0.079 0.000 0.800 83 E CB -0.375 29.375 29.700 0.083 0.000 0.746 83 E HN 0.549 nan 8.360 nan 0.000 0.452 84 L N -0.285 121.012 121.223 0.123 0.000 2.093 84 L HA -0.056 4.286 4.340 0.004 0.000 0.208 84 L C 2.469 179.487 176.870 0.247 0.000 1.085 84 L CA 0.896 55.859 54.840 0.205 0.000 0.755 84 L CB -0.547 41.624 42.059 0.187 0.000 0.904 84 L HN 0.220 nan 8.230 nan 0.000 0.435 85 A N 0.333 123.246 122.820 0.155 0.000 1.902 85 A HA -0.223 4.100 4.320 0.004 0.000 0.217 85 A C 2.315 179.978 177.584 0.133 0.000 1.181 85 A CA 1.635 53.757 52.037 0.142 0.000 0.623 85 A CB -0.309 18.748 19.000 0.095 0.000 0.818 85 A HN 0.319 nan 8.150 nan 0.000 0.443 86 K N -0.883 119.576 120.400 0.098 0.000 2.026 86 K HA -0.116 4.207 4.320 0.004 0.000 0.208 86 K C 2.185 178.812 176.600 0.045 0.000 1.048 86 K CA 1.196 57.521 56.287 0.063 0.000 0.929 86 K CB -0.206 32.321 32.500 0.046 0.000 0.713 86 K HN 0.190 nan 8.250 nan 0.000 0.439 87 R N 0.058 120.583 120.500 0.042 0.000 2.159 87 R HA -0.116 4.226 4.340 0.004 0.000 0.237 87 R C 1.662 177.863 176.300 -0.165 0.000 1.131 87 R CA 1.445 57.502 56.100 -0.071 0.000 0.982 87 R CB -0.368 29.872 30.300 -0.100 0.000 0.868 87 R HN 0.391 nan 8.270 nan 0.000 0.453 88 Y N -0.934 119.376 120.300 0.016 0.000 2.449 88 Y HA 0.223 4.776 4.550 0.004 0.000 0.254 88 Y C 1.291 177.200 175.900 0.015 0.000 1.140 88 Y CA 0.433 58.543 58.100 0.016 0.000 1.272 88 Y CB 0.575 39.048 38.460 0.022 0.000 1.114 88 Y HN 0.262 nan 8.280 nan 0.000 0.525 89 G N 1.033 109.906 108.800 0.122 0.000 2.246 89 G HA2 -0.243 3.720 3.960 0.004 0.000 0.273 89 G HA3 -0.243 3.720 3.960 0.004 0.000 0.273 89 G C -0.101 174.852 174.900 0.088 0.000 1.055 89 G CA -0.072 45.076 45.100 0.080 0.000 0.851 89 G HN 0.061 nan 8.290 nan 0.000 0.500 90 K N 0.126 120.589 120.400 0.105 0.000 2.208 90 K HA 0.448 4.771 4.320 0.004 0.000 0.247 90 K C 0.521 177.160 176.600 0.065 0.000 0.953 90 K CA -0.874 55.461 56.287 0.080 0.000 0.837 90 K CB 1.871 34.419 32.500 0.080 0.000 1.131 90 K HN 0.432 nan 8.250 nan 0.000 0.431 91 K N 2.083 122.513 120.400 0.049 0.000 2.185 91 K HA 0.303 4.626 4.320 0.004 0.000 0.271 91 K C -0.945 175.681 176.600 0.043 0.000 1.013 91 K CA -0.394 55.917 56.287 0.041 0.000 0.943 91 K CB 0.670 33.189 32.500 0.031 0.000 0.998 91 K HN 0.424 nan 8.250 nan 0.000 0.468 92 L N 3.002 124.250 121.223 0.041 0.000 2.666 92 L HA 0.229 4.572 4.340 0.004 0.000 0.258 92 L C -2.099 174.787 176.870 0.026 0.000 0.991 92 L CA -0.168 54.696 54.840 0.041 0.000 0.916 92 L CB 1.267 43.364 42.059 0.064 0.000 1.199 92 L HN 0.744 nan 8.230 nan 0.000 0.439 93 D N 4.462 124.869 120.400 0.010 0.000 2.316 93 D HA 0.314 4.957 4.640 0.004 0.000 0.245 93 D C 1.102 177.386 176.300 -0.027 0.000 1.171 93 D CA -0.430 53.568 54.000 -0.002 0.000 0.856 93 D CB 1.163 41.961 40.800 -0.004 0.000 1.090 93 D HN 0.440 nan 8.370 nan 0.000 0.476 94 L N 1.116 122.321 121.223 -0.030 0.000 2.456 94 L HA -0.094 4.248 4.340 0.004 0.000 0.224 94 L C 1.874 178.687 176.870 -0.096 0.000 1.148 94 L CA 0.860 55.656 54.840 -0.074 0.000 0.825 94 L CB -0.301 41.734 42.059 -0.038 0.000 0.937 94 L HN 0.366 nan 8.230 nan 0.000 0.450 95 E N 0.316 120.482 120.200 -0.058 0.000 2.299 95 E HA -0.062 4.290 4.350 0.004 0.000 0.193 95 E C 1.748 178.315 176.600 -0.055 0.000 0.998 95 E CA 0.750 57.119 56.400 -0.051 0.000 0.851 95 E CB 0.118 29.801 29.700 -0.028 0.000 0.795 95 E HN 0.402 nan 8.360 nan 0.000 0.492 96 K N 0.377 120.744 120.400 -0.055 0.000 2.404 96 K HA 0.111 4.433 4.320 0.004 0.000 0.194 96 K C 0.234 176.793 176.600 -0.069 0.000 1.023 96 K CA -0.129 56.130 56.287 -0.046 0.000 1.094 96 K CB 0.504 32.989 32.500 -0.025 0.000 0.841 96 K HN 0.009 nan 8.250 nan 0.000 0.523 97 I N 3.265 123.757 120.570 -0.130 0.000 2.581 97 I HA -0.074 4.098 4.170 0.004 0.000 0.285 97 I C 0.937 176.972 176.117 -0.137 0.000 1.129 97 I CA 0.400 61.580 61.300 -0.201 0.000 1.397 97 I CB -0.375 37.326 38.000 -0.498 0.000 1.399 97 I HN 0.073 nan 8.210 nan 0.000 0.537 98 S N 5.441 121.103 115.700 -0.063 0.000 2.572 98 S HA 0.064 4.537 4.470 0.004 0.000 0.279 98 S C 1.166 175.762 174.600 -0.006 0.000 1.341 98 S CA -0.555 57.634 58.200 -0.018 0.000 1.043 98 S CB 1.452 64.665 63.200 0.020 0.000 0.887 98 S HN 0.704 nan 8.310 nan 0.000 0.516 99 K N 1.489 121.890 120.400 0.002 0.000 2.074 99 K HA -0.237 4.086 4.320 0.004 0.000 0.209 99 K C 1.630 178.259 176.600 0.048 0.000 1.048 99 K CA 2.078 58.374 56.287 0.016 0.000 0.926 99 K CB -0.574 31.929 32.500 0.006 0.000 0.713 99 K HN 0.782 nan 8.250 nan 0.000 0.444 100 D N 0.466 120.904 120.400 0.062 0.000 2.127 100 D HA -0.236 4.407 4.640 0.004 0.000 0.190 100 D C 1.751 178.181 176.300 0.216 0.000 1.000 100 D CA 1.788 55.856 54.000 0.113 0.000 0.839 100 D CB -0.224 40.648 40.800 0.120 0.000 0.955 100 D HN 0.284 nan 8.370 nan 0.000 0.446 101 E N 0.132 120.457 120.200 0.209 0.000 2.085 101 E HA -0.152 4.200 4.350 0.004 0.000 0.194 101 E C 2.079 178.878 176.600 0.330 0.000 0.994 101 E CA 1.233 57.803 56.400 0.283 0.000 0.801 101 E CB -0.024 29.822 29.700 0.243 0.000 0.743 101 E HN 0.334 nan 8.360 nan 0.000 0.453 102 K N -0.570 119.983 120.400 0.255 0.000 2.097 102 K HA -0.067 4.256 4.320 0.004 0.000 0.205 102 K C 2.102 178.792 176.600 0.150 0.000 1.050 102 K CA 1.082 57.538 56.287 0.281 0.000 0.938 102 K CB -0.097 32.511 32.500 0.180 0.000 0.718 102 K HN 0.005 nan 8.250 nan 0.000 0.442 103 V N 0.844 120.797 119.914 0.065 0.000 2.252 103 V HA -0.297 3.826 4.120 0.004 0.000 0.249 103 V C 1.960 177.991 176.094 -0.106 0.000 1.056 103 V CA 1.858 64.120 62.300 -0.063 0.000 1.022 103 V CB -0.611 31.090 31.823 -0.202 0.000 0.641 103 V HN 0.237 nan 8.190 nan 0.000 0.445 104 Y N -0.491 119.816 120.300 0.012 0.000 2.242 104 Y HA -0.149 4.404 4.550 0.004 0.000 0.291 104 Y C 2.429 178.261 175.900 -0.112 0.000 1.137 104 Y CA 1.470 59.544 58.100 -0.043 0.000 1.181 104 Y CB -0.677 37.752 38.460 -0.052 0.000 0.989 104 Y HN 0.030 nan 8.280 nan 0.000 0.527 105 V N -0.512 119.398 119.914 -0.007 0.000 2.427 105 V HA -0.293 3.830 4.120 0.004 0.000 0.248 105 V C 2.417 178.421 176.094 -0.149 0.000 1.051 105 V CA 1.561 63.709 62.300 -0.252 0.000 1.048 105 V CB -1.174 30.373 31.823 -0.461 0.000 0.666 105 V HN 0.456 nan 8.190 nan 0.000 0.456 106 A N -0.232 122.571 122.820 -0.029 0.000 1.873 106 A HA -0.132 4.190 4.320 0.004 0.000 0.215 106 A C 2.202 179.782 177.584 -0.007 0.000 1.186 106 A CA 1.590 53.617 52.037 -0.017 0.000 0.616 106 A CB -0.561 18.513 19.000 0.122 0.000 0.823 106 A HN 0.461 nan 8.150 nan 0.000 0.442 107 L N -0.534 120.751 121.223 0.104 0.000 2.051 107 L HA -0.282 4.061 4.340 0.004 0.000 0.214 107 L C 2.391 179.303 176.870 0.070 0.000 1.076 107 L CA 2.118 57.041 54.840 0.137 0.000 0.758 107 L CB -0.492 41.568 42.059 0.000 0.000 0.890 107 L HN 0.549 nan 8.230 nan 0.000 0.433 108 D N -0.705 119.684 120.400 -0.017 0.000 2.149 108 D HA -0.202 4.441 4.640 0.004 0.000 0.201 108 D C 2.263 178.533 176.300 -0.050 0.000 0.972 108 D CA 0.633 54.608 54.000 -0.043 0.000 0.835 108 D CB 0.139 40.872 40.800 -0.112 0.000 0.966 108 D HN -0.045 nan 8.370 nan 0.000 0.476 109 R N -0.068 120.372 120.500 -0.100 0.000 2.092 109 R HA -0.017 4.325 4.340 0.004 0.000 0.231 109 R C 1.879 178.094 176.300 -0.141 0.000 1.119 109 R CA 1.053 57.084 56.100 -0.115 0.000 0.970 109 R CB -0.684 29.528 30.300 -0.147 0.000 0.864 109 R HN 0.136 nan 8.270 nan 0.000 0.440 110 V N -0.381 119.409 119.914 -0.206 0.000 2.453 110 V HA -0.244 3.879 4.120 0.004 0.000 0.247 110 V C 2.522 178.452 176.094 -0.273 0.000 1.048 110 V CA 1.645 63.722 62.300 -0.372 0.000 1.049 110 V CB -0.534 30.950 31.823 -0.565 0.000 0.672 110 V HN 0.612 nan 8.190 nan 0.000 0.457 111 C N 0.793 120.141 119.300 0.079 0.000 2.413 111 C HA -0.209 4.254 4.460 0.004 0.000 0.276 111 C C 2.524 177.556 174.990 0.070 0.000 1.236 111 C CA 1.645 60.788 59.018 0.209 0.000 1.735 111 C CB -1.161 26.731 27.740 0.255 0.000 2.031 111 C HN 0.635 nan 8.230 nan 0.000 0.474 112 D N -0.420 119.991 120.400 0.017 0.000 2.144 112 D HA -0.111 4.532 4.640 0.004 0.000 0.199 112 D C 1.780 178.083 176.300 0.005 0.000 0.984 112 D CA 1.267 55.272 54.000 0.008 0.000 0.834 112 D CB -0.677 40.119 40.800 -0.007 0.000 0.955 112 D HN 0.629 nan 8.370 nan 0.000 0.465 113 F N 1.071 120.911 119.950 -0.183 0.000 2.102 113 F HA -0.260 4.270 4.527 0.006 0.000 0.298 113 F C 2.065 177.804 175.800 -0.102 0.000 1.105 113 F CA 1.264 59.140 58.000 -0.207 0.000 1.239 113 F CB -0.541 38.233 39.000 -0.376 0.000 0.991 113 F HN -0.131 nan 8.300 nan 0.000 0.474 114 Y N 0.898 120.981 120.300 -0.362 0.000 2.181 114 Y HA -0.158 4.394 4.550 0.004 0.000 0.288 114 Y C 2.831 178.577 175.900 -0.257 0.000 1.146 114 Y CA 1.581 59.423 58.100 -0.430 0.000 1.164 114 Y CB -1.302 36.959 38.460 -0.331 0.000 0.982 114 Y HN 0.122 nan 8.280 nan 0.000 0.515 115 R N 0.531 121.045 120.500 0.023 0.000 2.083 115 R HA -0.193 4.150 4.340 0.004 0.000 0.237 115 R C 2.145 178.431 176.300 -0.023 0.000 1.137 115 R CA 1.803 57.912 56.100 0.015 0.000 0.951 115 R CB -0.293 30.024 30.300 0.028 0.000 0.851 115 R HN 0.301 nan 8.270 nan 0.000 0.434 116 E N 0.063 120.227 120.200 -0.061 0.000 2.110 116 E HA -0.136 4.217 4.350 0.004 0.000 0.193 116 E C 1.901 178.449 176.600 -0.086 0.000 0.988 116 E CA 1.556 57.921 56.400 -0.058 0.000 0.804 116 E CB 0.039 29.705 29.700 -0.056 0.000 0.745 116 E HN 0.354 nan 8.360 nan 0.000 0.458 117 S N 0.877 116.466 115.700 -0.186 0.000 2.383 117 S HA -0.144 4.328 4.470 0.004 0.000 0.227 117 S C 1.870 176.488 174.600 0.029 0.000 1.026 117 S CA 0.608 58.723 58.200 -0.142 0.000 0.981 117 S CB -0.168 62.818 63.200 -0.357 0.000 0.818 117 S HN 0.186 nan 8.310 nan 0.000 0.472 118 L N 2.065 123.307 121.223 0.031 0.000 2.027 118 L HA 0.036 4.379 4.340 0.004 0.000 0.206 118 L C 1.907 178.769 176.870 -0.014 0.000 1.074 118 L CA 1.581 56.438 54.840 0.028 0.000 0.745 118 L CB -0.670 41.412 42.059 0.039 0.000 0.898 118 L HN 0.257 nan 8.230 nan 0.000 0.433 119 L N -0.516 120.705 121.223 -0.004 0.000 2.079 119 L HA -0.244 4.099 4.340 0.004 0.000 0.210 119 L C 2.513 179.382 176.870 -0.002 0.000 1.081 119 L CA 1.431 56.272 54.840 0.001 0.000 0.752 119 L CB -0.701 41.364 42.059 0.011 0.000 0.896 119 L HN 0.275 nan 8.230 nan 0.000 0.433 120 K N -0.572 119.826 120.400 -0.004 0.000 2.305 120 K HA -0.009 4.313 4.320 0.004 0.000 0.199 120 K C 0.771 177.363 176.600 -0.013 0.000 1.047 120 K CA 0.099 56.387 56.287 0.001 0.000 0.976 120 K CB -0.037 32.469 32.500 0.009 0.000 0.765 120 K HN 0.231 nan 8.250 nan 0.000 0.474 121 N N 1.471 120.142 118.700 -0.048 0.000 2.426 121 N HA 0.038 4.781 4.740 0.004 0.000 0.257 121 N C 0.547 175.978 175.510 -0.131 0.000 1.002 121 N CA 0.030 53.011 53.050 -0.114 0.000 0.942 121 N CB 1.193 39.511 38.487 -0.281 0.000 1.112 121 N HN 0.012 nan 8.380 nan 0.000 0.499 122 R N 2.827 123.276 120.500 -0.084 0.000 2.092 122 R HA -0.120 4.222 4.340 0.004 0.000 0.231 122 R C 0.807 177.064 176.300 -0.071 0.000 1.119 122 R CA 1.664 57.729 56.100 -0.058 0.000 0.970 122 R CB 0.345 30.626 30.300 -0.031 0.000 0.864 122 R HN 0.572 nan 8.270 nan 0.000 0.440 123 E N 0.250 120.387 120.200 -0.105 0.000 2.047 123 E HA -0.110 4.243 4.350 0.004 0.000 0.191 123 E C 1.875 178.408 176.600 -0.110 0.000 0.987 123 E CA 1.397 57.742 56.400 -0.093 0.000 0.799 123 E CB -0.309 29.329 29.700 -0.104 0.000 0.752 123 E HN 0.396 nan 8.360 nan 0.000 0.449 124 A N 0.719 123.369 122.820 -0.284 0.000 1.883 124 A HA -0.233 4.090 4.320 0.004 0.000 0.217 124 A C 2.368 179.914 177.584 -0.062 0.000 1.186 124 A CA 2.049 53.910 52.037 -0.293 0.000 0.624 124 A CB -0.802 17.761 19.000 -0.729 0.000 0.822 124 A HN 0.200 nan 8.150 nan 0.000 0.444 125 S N -0.376 115.279 115.700 -0.076 0.000 2.348 125 S HA -0.155 4.317 4.470 0.004 0.000 0.221 125 S C 1.877 176.490 174.600 0.022 0.000 1.033 125 S CA 1.474 59.667 58.200 -0.012 0.000 1.010 125 S CB -0.362 62.826 63.200 -0.020 0.000 0.891 125 S HN 0.697 nan 8.310 nan 0.000 0.442 126 E N -0.141 120.067 120.200 0.015 0.000 2.110 126 E HA -0.197 4.155 4.350 0.004 0.000 0.193 126 E C 1.836 178.461 176.600 0.042 0.000 0.988 126 E CA 1.207 57.620 56.400 0.022 0.000 0.804 126 E CB -0.275 29.433 29.700 0.014 0.000 0.745 126 E HN 0.646 nan 8.360 nan 0.000 0.458 127 Y N 1.712 121.987 120.300 -0.041 0.000 2.070 127 Y HA -0.305 4.250 4.550 0.007 0.000 0.280 127 Y C 2.287 178.190 175.900 0.006 0.000 1.148 127 Y CA 1.558 59.642 58.100 -0.026 0.000 1.125 127 Y CB -0.541 37.892 38.460 -0.044 0.000 0.975 127 Y HN -0.212 nan 8.280 nan 0.000 0.492 128 V N 1.310 121.282 119.914 0.097 0.000 2.282 128 V HA -0.366 3.757 4.120 0.004 0.000 0.249 128 V C 2.568 178.639 176.094 -0.038 0.000 1.057 128 V CA 2.418 64.743 62.300 0.042 0.000 1.032 128 V CB -0.696 31.204 31.823 0.129 0.000 0.645 128 V HN 0.386 nan 8.190 nan 0.000 0.447 129 K N 0.304 120.692 120.400 -0.019 0.000 2.057 129 K HA -0.171 4.152 4.320 0.004 0.000 0.207 129 K C 2.487 179.057 176.600 -0.049 0.000 1.049 129 K CA 1.782 58.060 56.287 -0.016 0.000 0.931 129 K CB -0.346 32.153 32.500 -0.001 0.000 0.714 129 K HN 0.650 nan 8.250 nan 0.000 0.440 130 S N 0.649 116.291 115.700 -0.097 0.000 2.419 130 S HA -0.085 4.387 4.470 0.004 0.000 0.233 130 S C 1.569 176.089 174.600 -0.134 0.000 1.016 130 S CA 0.669 58.802 58.200 -0.112 0.000 0.974 130 S CB -0.143 62.981 63.200 -0.127 0.000 0.786 130 S HN 0.210 nan 8.310 nan 0.000 0.492 131 R N 0.946 121.333 120.500 -0.189 0.000 2.319 131 R HA 0.199 4.542 4.340 0.004 0.000 0.204 131 R C 1.570 177.949 176.300 0.133 0.000 0.954 131 R CA 0.608 56.669 56.100 -0.065 0.000 1.066 131 R CB -0.704 29.506 30.300 -0.150 0.000 0.991 131 R HN 0.689 nan 8.270 nan 0.000 0.486 132 G N 1.450 110.272 108.800 0.036 0.000 2.141 132 G HA2 -0.260 3.703 3.960 0.004 0.000 0.242 132 G HA3 -0.260 3.703 3.960 0.004 0.000 0.242 132 G C 0.157 175.051 174.900 -0.011 0.000 0.982 132 G CA -0.228 44.882 45.100 0.017 0.000 0.662 132 G HN 0.289 nan 8.290 nan 0.000 0.527 133 I N 1.604 122.182 120.570 0.014 0.000 2.352 133 I HA 0.212 4.384 4.170 0.004 0.000 0.290 133 I C 0.525 176.655 176.117 0.021 0.000 1.036 133 I CA -0.566 60.738 61.300 0.006 0.000 1.336 133 I CB 0.942 38.969 38.000 0.044 0.000 1.407 133 I HN 0.087 nan 8.210 nan 0.000 0.497 134 D N 8.626 129.041 120.400 0.024 0.000 2.424 134 D HA 0.065 4.708 4.640 0.004 0.000 0.244 134 D C -1.671 174.662 176.300 0.055 0.000 1.134 134 D CA -1.390 52.634 54.000 0.041 0.000 0.881 134 D CB 1.842 42.672 40.800 0.050 0.000 1.191 134 D HN 0.234 nan 8.370 nan 0.000 0.445 135 P HA -0.150 nan 4.420 nan 0.000 0.217 135 P C 0.965 178.302 177.300 0.063 0.000 1.148 135 P CA 1.445 64.578 63.100 0.055 0.000 0.828 135 P CB 0.285 32.015 31.700 0.051 0.000 0.783 136 K N -0.759 119.687 120.400 0.076 0.000 2.057 136 K HA -0.065 4.258 4.320 0.004 0.000 0.207 136 K C 1.939 178.587 176.600 0.080 0.000 1.049 136 K CA 1.181 57.518 56.287 0.083 0.000 0.931 136 K CB -0.811 31.759 32.500 0.117 0.000 0.714 136 K HN 0.040 nan 8.250 nan 0.000 0.440 137 V N 1.454 121.438 119.914 0.116 0.000 2.358 137 V HA -0.212 3.910 4.120 0.004 0.000 0.246 137 V C 2.372 178.577 176.094 0.185 0.000 1.047 137 V CA 1.889 64.297 62.300 0.179 0.000 1.035 137 V CB -0.610 31.301 31.823 0.146 0.000 0.658 137 V HN 0.338 nan 8.190 nan 0.000 0.452 138 A N 0.103 122.992 122.820 0.116 0.000 1.908 138 A HA -0.259 4.064 4.320 0.004 0.000 0.218 138 A C 2.386 180.035 177.584 0.107 0.000 1.181 138 A CA 2.029 54.135 52.037 0.116 0.000 0.627 138 A CB -0.479 18.570 19.000 0.083 0.000 0.818 138 A HN 0.521 nan 8.150 nan 0.000 0.445 139 R N -0.739 119.794 120.500 0.056 0.000 2.073 139 R HA -0.078 4.265 4.340 0.004 0.000 0.229 139 R C 2.394 178.659 176.300 -0.058 0.000 1.120 139 R CA 1.410 57.509 56.100 -0.003 0.000 0.967 139 R CB -0.295 29.983 30.300 -0.037 0.000 0.862 139 R HN 0.619 nan 8.270 nan 0.000 0.436 140 K N 0.394 120.746 120.400 -0.080 0.000 2.063 140 K HA -0.149 4.173 4.320 0.004 0.000 0.208 140 K C 1.261 177.717 176.600 -0.241 0.000 1.048 140 K CA 1.538 57.698 56.287 -0.211 0.000 0.928 140 K CB -0.052 32.327 32.500 -0.201 0.000 0.713 140 K HN 0.071 nan 8.250 nan 0.000 0.442 141 F N 1.327 121.211 119.950 -0.110 0.000 2.797 141 F HA 0.045 4.574 4.527 0.004 0.000 0.302 141 F C -0.020 175.788 175.800 0.013 0.000 1.130 141 F CA 0.354 58.315 58.000 -0.064 0.000 1.387 141 F CB 0.448 39.425 39.000 -0.038 0.000 1.107 141 F HN 0.121 nan 8.300 nan 0.000 0.577 142 D N 0.931 121.400 120.400 0.115 0.000 2.800 142 D HA -0.189 4.453 4.640 0.004 0.000 0.232 142 D C -0.005 176.378 176.300 0.139 0.000 1.137 142 D CA 0.389 54.445 54.000 0.093 0.000 0.718 142 D CB -1.465 39.374 40.800 0.065 0.000 1.084 142 D HN 0.204 nan 8.370 nan 0.000 0.432 143 L N -0.062 121.250 121.223 0.149 0.000 2.514 143 L HA 0.301 4.644 4.340 0.004 0.000 0.280 143 L C 1.657 178.572 176.870 0.075 0.000 1.223 143 L CA 1.070 55.982 54.840 0.120 0.000 0.864 143 L CB 0.434 42.567 42.059 0.125 0.000 1.118 143 L HN 0.198 nan 8.230 nan 0.000 0.494 144 G N 1.352 110.168 108.800 0.027 0.000 2.975 144 G HA2 0.541 4.504 3.960 0.004 0.000 0.291 144 G HA3 0.541 4.504 3.960 0.004 0.000 0.291 144 G C -2.314 172.573 174.900 -0.022 0.000 1.334 144 G CA -0.254 44.847 45.100 0.001 0.000 0.843 144 G HN 0.405 nan 8.290 nan 0.000 0.548 145 Y N -0.452 119.701 120.300 -0.246 0.000 2.519 145 Y HA 0.623 5.177 4.550 0.007 0.000 0.336 145 Y C -0.756 174.961 175.900 -0.304 0.000 1.089 145 Y CA -1.093 56.844 58.100 -0.271 0.000 1.025 145 Y CB 1.894 40.259 38.460 -0.158 0.000 1.318 145 Y HN 0.870 nan 8.280 nan 0.000 0.452 146 A N 8.013 130.244 122.820 -0.981 0.000 2.412 146 A HA 0.503 4.825 4.320 0.004 0.000 0.334 146 A C -2.429 174.681 177.584 -0.789 0.000 1.419 146 A CA -1.429 50.241 52.037 -0.611 0.000 0.930 146 A CB 0.126 18.869 19.000 -0.427 0.000 1.149 146 A HN 0.571 nan 8.150 nan 0.000 0.515 147 P HA 0.052 nan 4.420 nan 0.000 0.234 147 P C 0.267 177.536 177.300 -0.052 0.000 1.175 147 P CA 0.699 63.614 63.100 -0.308 0.000 0.801 147 P CB 0.593 32.282 31.700 -0.020 0.000 0.891 148 S N -1.763 113.973 115.700 0.059 0.000 2.570 148 S HA 0.347 4.820 4.470 0.004 0.000 0.286 148 S C 0.672 175.336 174.600 0.107 0.000 1.143 148 S CA -0.367 57.887 58.200 0.090 0.000 0.921 148 S CB 0.626 63.895 63.200 0.114 0.000 1.108 148 S HN -0.176 nan 8.310 nan 0.000 0.456 149 S N 2.954 118.688 115.700 0.057 0.000 2.368 149 S HA -0.054 4.419 4.470 0.004 0.000 0.224 149 S C 1.692 176.294 174.600 0.005 0.000 1.029 149 S CA 0.885 59.111 58.200 0.043 0.000 0.988 149 S CB -0.263 62.968 63.200 0.052 0.000 0.838 149 S HN 0.788 nan 8.310 nan 0.000 0.462 150 E N 1.689 121.898 120.200 0.014 0.000 2.110 150 E HA -0.056 4.297 4.350 0.004 0.000 0.193 150 E C 2.323 178.893 176.600 -0.050 0.000 0.988 150 E CA 1.047 57.445 56.400 -0.004 0.000 0.804 150 E CB -0.510 29.197 29.700 0.011 0.000 0.745 150 E HN 0.479 nan 8.360 nan 0.000 0.458 151 A N 1.461 124.266 122.820 -0.025 0.000 1.877 151 A HA -0.173 4.149 4.320 0.004 0.000 0.216 151 A C 2.257 179.593 177.584 -0.414 0.000 1.186 151 A CA 1.436 53.438 52.037 -0.058 0.000 0.620 151 A CB -0.664 18.453 19.000 0.195 0.000 0.822 151 A HN 0.256 nan 8.150 nan 0.000 0.443 152 L N 0.018 120.888 121.223 -0.588 0.000 2.017 152 L HA -0.113 4.230 4.340 0.004 0.000 0.208 152 L C 2.381 178.911 176.870 -0.567 0.000 1.073 152 L CA 2.066 56.314 54.840 -0.986 0.000 0.745 152 L CB -0.774 40.937 42.059 -0.580 0.000 0.894 152 L HN 0.144 nan 8.230 nan 0.000 0.432 153 V N 0.115 119.846 119.914 -0.305 0.000 2.332 153 V HA -0.328 3.795 4.120 0.004 0.000 0.248 153 V C 2.723 178.700 176.094 -0.194 0.000 1.055 153 V CA 2.163 64.340 62.300 -0.205 0.000 1.038 153 V CB -0.729 31.063 31.823 -0.052 0.000 0.651 153 V HN 0.559 nan 8.190 nan 0.000 0.450 154 K N 0.165 120.458 120.400 -0.178 0.000 2.063 154 K HA -0.191 4.132 4.320 0.004 0.000 0.208 154 K C 2.167 178.664 176.600 -0.173 0.000 1.048 154 K CA 1.998 58.203 56.287 -0.137 0.000 0.928 154 K CB -0.239 32.201 32.500 -0.101 0.000 0.713 154 K HN 0.488 nan 8.250 nan 0.000 0.442 155 V N -0.442 119.307 119.914 -0.275 0.000 2.427 155 V HA -0.176 3.947 4.120 0.004 0.000 0.248 155 V C 2.034 177.988 176.094 -0.234 0.000 1.051 155 V CA 1.104 63.248 62.300 -0.260 0.000 1.048 155 V CB -0.428 31.186 31.823 -0.349 0.000 0.666 155 V HN 0.134 nan 8.190 nan 0.000 0.456 156 L N 0.548 121.601 121.223 -0.284 0.000 1.994 156 L HA -0.056 4.286 4.340 0.004 0.000 0.208 156 L C 2.715 179.503 176.870 -0.137 0.000 1.071 156 L CA 2.172 56.872 54.840 -0.233 0.000 0.745 156 L CB -1.279 40.613 42.059 -0.278 0.000 0.892 156 L HN 0.364 nan 8.230 nan 0.000 0.431 157 K N -0.555 119.771 120.400 -0.123 0.000 2.032 157 K HA -0.205 4.118 4.320 0.004 0.000 0.209 157 K C 1.941 178.512 176.600 -0.049 0.000 1.048 157 K CA 1.598 57.843 56.287 -0.070 0.000 0.927 157 K CB -0.190 32.279 32.500 -0.053 0.000 0.712 157 K HN 0.372 nan 8.250 nan 0.000 0.441 158 E N 0.460 120.624 120.200 -0.060 0.000 2.160 158 E HA -0.151 4.202 4.350 0.004 0.000 0.195 158 E C 1.408 177.994 176.600 -0.023 0.000 0.991 158 E CA 0.831 57.207 56.400 -0.040 0.000 0.810 158 E CB 0.013 29.682 29.700 -0.052 0.000 0.742 158 E HN 0.304 nan 8.360 nan 0.000 0.466 159 N N 0.566 119.246 118.700 -0.033 0.000 2.280 159 N HA -0.066 4.676 4.740 0.004 0.000 0.192 159 N C -0.347 175.188 175.510 0.041 0.000 1.109 159 N CA 0.327 53.377 53.050 0.000 0.000 0.855 159 N CB 0.626 39.094 38.487 -0.031 0.000 0.974 159 N HN 0.030 nan 8.380 nan 0.000 0.482 160 D N 0.245 120.656 120.400 0.017 0.000 2.835 160 D HA -0.159 4.484 4.640 0.004 0.000 0.230 160 D C 0.113 176.440 176.300 0.046 0.000 1.130 160 D CA 0.412 54.432 54.000 0.033 0.000 0.738 160 D CB -1.266 39.571 40.800 0.060 0.000 1.090 160 D HN 0.291 nan 8.370 nan 0.000 0.433 161 L N -0.463 120.767 121.223 0.011 0.000 2.966 161 L HA 0.210 4.552 4.340 0.004 0.000 0.262 161 L C 1.930 178.801 176.870 0.001 0.000 1.165 161 L CA -0.460 54.394 54.840 0.023 0.000 0.978 161 L CB 0.116 42.172 42.059 -0.006 0.000 1.337 161 L HN 0.153 nan 8.230 nan 0.000 0.563 162 L N 0.725 121.923 121.223 -0.041 0.000 2.017 162 L HA -0.154 4.188 4.340 0.004 0.000 0.208 162 L C 2.191 179.031 176.870 -0.050 0.000 1.073 162 L CA 2.108 56.899 54.840 -0.082 0.000 0.745 162 L CB -0.171 41.801 42.059 -0.145 0.000 0.894 162 L HN 0.142 nan 8.230 nan 0.000 0.432 163 E N -0.040 120.142 120.200 -0.030 0.000 2.077 163 E HA -0.129 4.223 4.350 0.004 0.000 0.193 163 E C 2.233 178.829 176.600 -0.006 0.000 0.989 163 E CA 1.420 57.808 56.400 -0.019 0.000 0.800 163 E CB -0.619 29.078 29.700 -0.005 0.000 0.746 163 E HN 0.602 nan 8.360 nan 0.000 0.452 164 A N 0.292 123.122 122.820 0.017 0.000 1.883 164 A HA -0.243 4.079 4.320 0.004 0.000 0.217 164 A C 2.132 179.730 177.584 0.023 0.000 1.186 164 A CA 1.630 53.681 52.037 0.023 0.000 0.624 164 A CB -0.953 18.080 19.000 0.056 0.000 0.822 164 A HN 0.396 nan 8.150 nan 0.000 0.444 165 Y N 0.369 120.620 120.300 -0.081 0.000 2.274 165 Y HA -0.108 4.445 4.550 0.004 0.000 0.290 165 Y C 1.935 177.785 175.900 -0.082 0.000 1.145 165 Y CA 1.393 59.440 58.100 -0.088 0.000 1.203 165 Y CB -0.297 38.097 38.460 -0.109 0.000 0.984 165 Y HN 0.235 nan 8.280 nan 0.000 0.533 166 L N -0.194 120.964 121.223 -0.108 0.000 2.131 166 L HA -0.204 4.139 4.340 0.004 0.000 0.210 166 L C 2.210 178.992 176.870 -0.147 0.000 1.092 166 L CA 1.215 55.972 54.840 -0.139 0.000 0.759 166 L CB -0.458 41.558 42.059 -0.071 0.000 0.903 166 L HN 0.151 nan 8.230 nan 0.000 0.435 167 E N -0.266 119.857 120.200 -0.129 0.000 2.333 167 E HA -0.181 4.172 4.350 0.004 0.000 0.198 167 E C 2.126 178.628 176.600 -0.163 0.000 1.007 167 E CA 1.680 58.010 56.400 -0.116 0.000 0.845 167 E CB -0.225 29.422 29.700 -0.088 0.000 0.766 167 E HN 0.622 nan 8.360 nan 0.000 0.507 168 T N -1.955 112.431 114.554 -0.280 0.000 3.067 168 T HA 0.002 4.355 4.350 0.004 0.000 0.261 168 T C 0.854 175.417 174.700 -0.229 0.000 1.110 168 T CA 0.426 62.346 62.100 -0.300 0.000 1.113 168 T CB 0.006 68.573 68.868 -0.502 0.000 0.917 168 T HN -0.004 nan 8.240 nan 0.000 0.499 169 K N 0.572 120.839 120.400 -0.221 0.000 3.281 169 K HA -0.140 4.182 4.320 0.004 0.000 0.295 169 K C 0.339 176.854 176.600 -0.142 0.000 1.233 169 K CA 0.819 57.020 56.287 -0.142 0.000 0.866 169 K CB -2.054 30.397 32.500 -0.082 0.000 1.265 169 K HN 0.333 nan 8.250 nan 0.000 0.482 170 N N 0.111 118.686 118.700 -0.209 0.000 2.461 170 N HA 0.031 4.774 4.740 0.004 0.000 0.188 170 N C -0.534 175.011 175.510 0.059 0.000 1.134 170 N CA 0.428 53.466 53.050 -0.020 0.000 0.878 170 N CB 0.245 38.834 38.487 0.170 0.000 0.972 170 N HN 0.096 nan 8.380 nan 0.000 0.456 171 L N 1.022 122.238 121.223 -0.012 0.000 2.376 171 L HA 0.444 4.787 4.340 0.004 0.000 0.275 171 L C -0.680 176.232 176.870 0.069 0.000 0.987 171 L CA -0.555 54.330 54.840 0.076 0.000 0.828 171 L CB 1.765 43.873 42.059 0.082 0.000 1.249 171 L HN -0.137 nan 8.230 nan 0.000 0.409 172 L N 2.099 123.367 121.223 0.075 0.000 2.399 172 L HA 0.539 4.882 4.340 0.004 0.000 0.266 172 L C 0.442 177.387 176.870 0.125 0.000 1.114 172 L CA -0.047 54.828 54.840 0.059 0.000 0.804 172 L CB 1.522 43.580 42.059 -0.001 0.000 1.146 172 L HN 0.567 nan 8.230 nan 0.000 0.451 173 S N 1.254 116.986 115.700 0.053 0.000 2.622 173 S HA 0.422 4.895 4.470 0.004 0.000 0.283 173 S C -1.691 172.858 174.600 -0.086 0.000 1.197 173 S CA -1.199 56.961 58.200 -0.067 0.000 1.146 173 S CB 0.776 63.912 63.200 -0.106 0.000 1.007 173 S HN 0.417 nan 8.310 nan 0.000 0.478 174 P HA 0.051 nan 4.420 nan 0.000 0.216 174 P C 0.343 177.591 177.300 -0.087 0.000 1.153 174 P CA 0.870 63.925 63.100 -0.074 0.000 0.844 174 P CB 0.098 31.760 31.700 -0.064 0.000 0.787 175 T N -4.000 110.480 114.554 -0.123 0.000 2.906 175 T HA 0.451 4.804 4.350 0.004 0.000 0.295 175 T C -0.511 174.084 174.700 -0.174 0.000 1.075 175 T CA -1.253 60.775 62.100 -0.120 0.000 1.005 175 T CB 1.851 70.663 68.868 -0.094 0.000 1.136 175 T HN -0.203 nan 8.240 nan 0.000 0.498 176 K N 0.738 121.058 120.400 -0.133 0.000 2.504 176 K HA 0.329 4.652 4.320 0.004 0.000 0.278 176 K C 1.453 177.940 176.600 -0.189 0.000 1.025 176 K CA 1.537 57.741 56.287 -0.138 0.000 1.093 176 K CB -0.822 31.631 32.500 -0.078 0.000 0.873 176 K HN 1.241 nan 8.250 nan 0.000 0.483 177 G N 2.128 110.769 108.800 -0.266 0.000 2.203 177 G HA2 -0.234 3.729 3.960 0.004 0.000 0.263 177 G HA3 -0.234 3.729 3.960 0.004 0.000 0.263 177 G C -0.316 174.326 174.900 -0.430 0.000 1.012 177 G CA 0.327 45.259 45.100 -0.279 0.000 0.749 177 G HN 0.483 nan 8.290 nan 0.000 0.512 178 V N -0.398 119.131 119.914 -0.642 0.000 2.735 178 V HA 0.762 4.885 4.120 0.004 0.000 0.310 178 V C -0.573 175.103 176.094 -0.697 0.000 1.061 178 V CA -1.168 60.838 62.300 -0.490 0.000 0.913 178 V CB 1.866 33.557 31.823 -0.221 0.000 1.005 178 V HN 0.240 nan 8.190 nan 0.000 0.428 179 Y N 2.435 122.726 120.300 -0.015 0.000 2.462 179 Y HA 0.729 5.282 4.550 0.004 0.000 0.346 179 Y C 0.069 175.961 175.900 -0.013 0.000 0.976 179 Y CA -0.812 57.281 58.100 -0.011 0.000 1.044 179 Y CB 1.976 40.434 38.460 -0.003 0.000 1.230 179 Y HN 0.513 nan 8.280 nan 0.000 0.455 180 R N 1.824 122.407 120.500 0.137 0.000 2.480 180 R HA 0.276 4.619 4.340 0.004 0.000 0.306 180 R C -1.413 174.931 176.300 0.074 0.000 0.958 180 R CA -0.780 55.363 56.100 0.072 0.000 0.861 180 R CB 1.052 31.362 30.300 0.016 0.000 1.171 180 R HN 0.727 nan 8.270 nan 0.000 0.445 181 D N 4.084 124.529 120.400 0.074 0.000 2.450 181 D HA -0.070 4.572 4.640 0.004 0.000 0.247 181 D C 1.126 177.427 176.300 0.003 0.000 1.162 181 D CA -0.037 54.024 54.000 0.101 0.000 0.879 181 D CB 1.145 42.034 40.800 0.148 0.000 1.163 181 D HN 0.508 nan 8.370 nan 0.000 0.472 182 L N 4.605 125.783 121.223 -0.076 0.000 2.129 182 L HA -0.119 4.223 4.340 0.004 0.000 0.212 182 L C 1.312 177.875 176.870 -0.511 0.000 1.087 182 L CA 1.749 56.377 54.840 -0.353 0.000 0.757 182 L CB -0.402 41.313 42.059 -0.572 0.000 0.896 182 L HN 0.423 nan 8.230 nan 0.000 0.434 183 F N -1.161 118.736 119.950 -0.088 0.000 2.693 183 F HA 0.230 4.760 4.527 0.005 0.000 0.303 183 F C 0.772 176.436 175.800 -0.226 0.000 1.097 183 F CA -1.021 56.861 58.000 -0.198 0.000 1.330 183 F CB -0.454 38.353 39.000 -0.322 0.000 1.067 183 F HN -0.097 nan 8.300 nan 0.000 0.565 184 L N 1.763 122.961 121.223 -0.041 0.000 2.678 184 L HA -0.086 4.257 4.340 0.004 0.000 0.285 184 L C 1.385 178.176 176.870 -0.132 0.000 1.233 184 L CA 0.352 55.142 54.840 -0.084 0.000 0.920 184 L CB -0.250 41.779 42.059 -0.050 0.000 1.176 184 L HN 0.446 nan 8.230 nan 0.000 0.495 185 R N 1.326 121.683 120.500 -0.238 0.000 3.892 185 R HA -0.167 4.176 4.340 0.004 0.000 0.441 185 R C -0.369 175.902 176.300 -0.048 0.000 1.052 185 R CA 1.599 57.610 56.100 -0.148 0.000 1.190 185 R CB -1.321 28.956 30.300 -0.038 0.000 1.808 185 R HN 0.785 nan 8.270 nan 0.000 0.538 186 R N -0.586 119.828 120.500 -0.143 0.000 2.598 186 R HA 0.559 4.902 4.340 0.004 0.000 0.279 186 R C -0.316 175.964 176.300 -0.033 0.000 0.984 186 R CA -0.727 55.335 56.100 -0.064 0.000 0.999 186 R CB 1.642 31.904 30.300 -0.064 0.000 1.114 186 R HN -0.104 nan 8.270 nan 0.000 0.493 187 V N 2.963 122.886 119.914 0.016 0.000 2.508 187 V HA 0.073 4.196 4.120 0.004 0.000 0.281 187 V C 0.069 176.085 176.094 -0.130 0.000 1.041 187 V CA -0.077 62.236 62.300 0.021 0.000 1.016 187 V CB 1.319 33.190 31.823 0.079 0.000 0.984 187 V HN 0.411 nan 8.190 nan 0.000 0.478 188 V N 7.094 126.863 119.914 -0.241 0.000 2.427 188 V HA 0.465 4.588 4.120 0.004 0.000 0.286 188 V C -0.205 175.778 176.094 -0.185 0.000 1.034 188 V CA -0.431 61.626 62.300 -0.405 0.000 0.893 188 V CB 1.639 32.951 31.823 -0.853 0.000 0.982 188 V HN 0.680 nan 8.190 nan 0.000 0.452 189 I N 7.065 127.538 120.570 -0.162 0.000 2.405 189 I HA 0.394 4.566 4.170 0.004 0.000 0.280 189 I C -2.514 173.678 176.117 0.126 0.000 1.027 189 I CA -1.866 59.419 61.300 -0.025 0.000 1.161 189 I CB 1.554 39.395 38.000 -0.265 0.000 1.300 189 I HN 0.422 nan 8.210 nan 0.000 0.463 190 P HA 0.188 nan 4.420 nan 0.000 0.268 190 P C -0.520 176.911 177.300 0.219 0.000 1.205 190 P CA 0.140 63.391 63.100 0.252 0.000 0.771 190 P CB 0.553 32.401 31.700 0.246 0.000 0.858 191 I N 3.603 124.197 120.570 0.041 0.000 2.339 191 I HA 0.281 4.454 4.170 0.004 0.000 0.290 191 I C 0.563 176.737 176.117 0.095 0.000 0.994 191 I CA -0.523 60.901 61.300 0.205 0.000 1.191 191 I CB 1.037 39.194 38.000 0.261 0.000 1.343 191 I HN 0.138 nan 8.210 nan 0.000 0.458 192 K N 4.448 124.917 120.400 0.115 0.000 2.203 192 K HA 0.336 4.659 4.320 0.004 0.000 0.251 192 K C -0.784 175.835 176.600 0.031 0.000 0.944 192 K CA -0.962 55.324 56.287 -0.003 0.000 0.829 192 K CB 1.586 34.012 32.500 -0.123 0.000 1.125 192 K HN 0.547 nan 8.250 nan 0.000 0.430 193 D N 1.429 121.831 120.400 0.002 0.000 2.384 193 D HA 0.045 4.687 4.640 0.004 0.000 0.244 193 D C -1.924 174.381 176.300 0.008 0.000 1.251 193 D CA -1.804 52.211 54.000 0.024 0.000 0.961 193 D CB 0.049 40.870 40.800 0.034 0.000 1.116 193 D HN 0.110 nan 8.370 nan 0.000 0.484 194 P HA -0.103 nan 4.420 nan 0.000 0.223 194 P C 0.817 178.202 177.300 0.143 0.000 1.144 194 P CA 1.350 64.498 63.100 0.079 0.000 0.783 194 P CB -0.061 31.717 31.700 0.129 0.000 0.771 195 R N -1.859 118.673 120.500 0.053 0.000 2.359 195 R HA 0.372 4.715 4.340 0.004 0.000 0.231 195 R C 1.127 177.255 176.300 -0.286 0.000 0.913 195 R CA 0.680 56.797 56.100 0.028 0.000 1.075 195 R CB -0.726 29.572 30.300 -0.003 0.000 1.087 195 R HN 0.060 nan 8.270 nan 0.000 0.515 196 G N 1.435 109.861 108.800 -0.623 0.000 2.175 196 G HA2 -0.285 3.678 3.960 0.004 0.000 0.244 196 G HA3 -0.285 3.678 3.960 0.004 0.000 0.244 196 G C -0.162 174.364 174.900 -0.623 0.000 0.982 196 G CA -0.251 44.031 45.100 -1.363 0.000 0.641 196 G HN 0.331 nan 8.290 nan 0.000 0.527 197 R N 0.286 120.592 120.500 -0.324 0.000 2.298 197 R HA 0.436 4.779 4.340 0.004 0.000 0.310 197 R C 0.505 176.745 176.300 -0.100 0.000 1.068 197 R CA -0.510 55.487 56.100 -0.171 0.000 0.957 197 R CB 1.522 31.762 30.300 -0.099 0.000 1.003 197 R HN 0.077 nan 8.270 nan 0.000 0.454 198 V N 6.055 125.911 119.914 -0.096 0.000 2.493 198 V HA -0.046 4.077 4.120 0.004 0.000 0.292 198 V C 1.466 177.515 176.094 -0.076 0.000 1.016 198 V CA 0.697 62.924 62.300 -0.121 0.000 1.097 198 V CB 0.169 31.901 31.823 -0.152 0.000 0.947 198 V HN 0.751 nan 8.190 nan 0.000 0.479 199 I N 2.038 122.562 120.570 -0.075 0.000 4.139 199 I HA 0.726 4.899 4.170 0.004 0.000 0.335 199 I C 0.782 176.812 176.117 -0.145 0.000 1.327 199 I CA 0.385 61.689 61.300 0.006 0.000 1.112 199 I CB 0.513 38.634 38.000 0.201 0.000 1.058 199 I HN 0.664 nan 8.210 nan 0.000 0.396 200 G N 0.905 109.418 108.800 -0.479 0.000 2.336 200 G HA2 0.430 4.393 3.960 0.004 0.000 0.286 200 G HA3 0.430 4.393 3.960 0.004 0.000 0.286 200 G C -1.968 172.247 174.900 -1.143 0.000 1.269 200 G CA -0.685 43.905 45.100 -0.850 0.000 0.873 200 G HN 0.027 nan 8.290 nan 0.000 0.494 201 F N -0.273 119.425 119.950 -0.421 0.000 2.613 201 F HA 0.720 5.250 4.527 0.004 0.000 0.310 201 F C 0.698 176.253 175.800 -0.408 0.000 1.085 201 F CA -0.242 57.458 58.000 -0.500 0.000 0.945 201 F CB 2.381 40.758 39.000 -1.038 0.000 1.298 201 F HN 0.774 nan 8.300 nan 0.000 0.455 202 G N -0.280 108.437 108.800 -0.139 0.000 2.410 202 G HA2 0.593 4.556 3.960 0.004 0.000 0.330 202 G HA3 0.593 4.556 3.960 0.004 0.000 0.330 202 G C -0.867 173.844 174.900 -0.315 0.000 1.142 202 G CA -0.910 44.050 45.100 -0.233 0.000 0.902 202 G HN 0.943 nan 8.290 nan 0.000 0.491 203 G N 0.140 108.764 108.800 -0.293 0.000 2.707 203 G HA2 0.499 4.462 3.960 0.004 0.000 0.299 203 G HA3 0.499 4.462 3.960 0.004 0.000 0.299 203 G C -0.946 173.891 174.900 -0.105 0.000 1.442 203 G CA -0.800 44.233 45.100 -0.111 0.000 1.009 203 G HN 0.627 nan 8.290 nan 0.000 0.515 204 R N 1.865 122.358 120.500 -0.011 0.000 2.229 204 R HA 0.412 4.754 4.340 0.004 0.000 0.332 204 R C 0.688 176.997 176.300 0.016 0.000 0.989 204 R CA -1.065 55.104 56.100 0.116 0.000 0.842 204 R CB 0.357 30.790 30.300 0.222 0.000 1.119 204 R HN 0.700 nan 8.270 nan 0.000 0.456 205 R N 5.084 125.586 120.500 0.003 0.000 2.490 205 R HA 0.211 4.554 4.340 0.004 0.000 0.280 205 R C 0.290 176.514 176.300 -0.126 0.000 1.077 205 R CA 0.050 56.119 56.100 -0.052 0.000 1.065 205 R CB 0.388 30.663 30.300 -0.042 0.000 1.003 205 R HN 0.888 nan 8.270 nan 0.000 0.470 206 I N 0.386 120.845 120.570 -0.185 0.000 4.227 206 I HA 0.192 4.364 4.170 0.004 0.000 0.334 206 I C 0.095 176.099 176.117 -0.187 0.000 1.341 206 I CA -0.719 60.375 61.300 -0.343 0.000 1.123 206 I CB 0.798 38.456 38.000 -0.571 0.000 1.097 206 I HN 0.381 nan 8.210 nan 0.000 0.399 207 V N -0.894 118.961 119.914 -0.099 0.000 2.834 207 V HA 0.499 4.621 4.120 0.004 0.000 0.313 207 V C -0.081 175.986 176.094 -0.044 0.000 1.060 207 V CA -0.620 61.645 62.300 -0.058 0.000 0.989 207 V CB 1.604 33.408 31.823 -0.032 0.000 1.041 207 V HN 0.190 nan 8.190 nan 0.000 0.459 208 E N 2.160 122.342 120.200 -0.031 0.000 2.257 208 E HA 0.360 4.713 4.350 0.004 0.000 0.278 208 E C -0.737 175.850 176.600 -0.021 0.000 1.049 208 E CA 0.246 56.633 56.400 -0.022 0.000 0.876 208 E CB 0.507 30.197 29.700 -0.016 0.000 1.035 208 E HN 0.831 nan 8.360 nan 0.000 0.419 209 D N 1.875 122.263 120.400 -0.020 0.000 2.622 209 D HA 0.038 4.681 4.640 0.004 0.000 0.255 209 D C 0.073 176.362 176.300 -0.018 0.000 1.246 209 D CA -0.465 53.522 54.000 -0.021 0.000 0.795 209 D CB 1.481 42.264 40.800 -0.028 0.000 1.369 209 D HN 0.209 nan 8.370 nan 0.000 0.425 210 K N 0.426 120.815 120.400 -0.019 0.000 2.288 210 K HA 0.019 4.342 4.320 0.004 0.000 0.201 210 K C 0.692 177.281 176.600 -0.018 0.000 1.048 210 K CA 0.690 56.967 56.287 -0.017 0.000 0.956 210 K CB -0.161 32.329 32.500 -0.017 0.000 0.746 210 K HN 0.321 nan 8.250 nan 0.000 0.461 211 S N 0.836 116.521 115.700 -0.025 0.000 2.580 211 S HA 0.239 4.712 4.470 0.004 0.000 0.266 211 S C -2.372 172.217 174.600 -0.019 0.000 1.354 211 S CA -1.348 56.834 58.200 -0.031 0.000 1.008 211 S CB 0.301 63.471 63.200 -0.049 0.000 0.898 211 S HN 0.055 nan 8.310 nan 0.000 0.555 212 P HA 0.192 nan 4.420 nan 0.000 0.268 212 P C 0.287 177.601 177.300 0.024 0.000 1.208 212 P CA -0.350 62.757 63.100 0.011 0.000 0.777 212 P CB 0.387 32.096 31.700 0.015 0.000 0.875 213 K N 0.711 121.146 120.400 0.059 0.000 2.148 213 K HA -0.103 4.220 4.320 0.004 0.000 0.204 213 K C 0.285 176.977 176.600 0.154 0.000 1.050 213 K CA 1.329 57.664 56.287 0.080 0.000 0.942 213 K CB -0.093 32.456 32.500 0.082 0.000 0.724 213 K HN 0.472 nan 8.250 nan 0.000 0.446 214 Y N 0.757 121.074 120.300 0.029 0.000 2.406 214 Y HA 0.380 4.933 4.550 0.004 0.000 0.340 214 Y C -0.960 174.959 175.900 0.032 0.000 0.975 214 Y CA -1.580 56.546 58.100 0.043 0.000 1.056 214 Y CB 1.002 39.516 38.460 0.091 0.000 1.210 214 Y HN -0.071 nan 8.280 nan 0.000 0.448 215 I N 2.654 122.872 120.570 -0.587 0.000 2.934 215 I HA 0.671 4.844 4.170 0.004 0.000 0.306 215 I C -1.408 174.370 176.117 -0.565 0.000 1.110 215 I CA -1.103 59.928 61.300 -0.449 0.000 1.019 215 I CB 2.546 40.376 38.000 -0.284 0.000 1.227 215 I HN 0.490 nan 8.210 nan 0.000 0.434 216 N N 1.925 120.487 118.700 -0.229 0.000 2.402 216 N HA 0.373 5.116 4.740 0.004 0.000 0.294 216 N C -0.807 174.716 175.510 0.022 0.000 1.203 216 N CA -0.628 52.405 53.050 -0.028 0.000 0.838 216 N CB 2.118 40.704 38.487 0.165 0.000 1.306 216 N HN 0.682 nan 8.380 nan 0.000 0.510 217 S N 1.993 117.690 115.700 -0.004 0.000 2.558 217 S HA 0.075 4.548 4.470 0.004 0.000 0.291 217 S C -2.073 172.514 174.600 -0.023 0.000 1.306 217 S CA -0.465 57.648 58.200 -0.145 0.000 1.056 217 S CB -0.019 62.797 63.200 -0.640 0.000 0.836 217 S HN 0.409 nan 8.310 nan 0.000 0.504 218 P HA 0.216 nan 4.420 nan 0.000 0.274 218 P C -0.562 176.879 177.300 0.234 0.000 1.237 218 P CA -0.512 62.648 63.100 0.101 0.000 0.793 218 P CB 0.437 32.147 31.700 0.017 0.000 0.977 219 D N -0.053 120.475 120.400 0.214 0.000 2.400 219 D HA 0.309 4.951 4.640 0.004 0.000 0.238 219 D C 0.701 177.076 176.300 0.126 0.000 1.157 219 D CA 0.845 54.962 54.000 0.193 0.000 0.889 219 D CB 0.337 41.183 40.800 0.076 0.000 1.199 219 D HN 0.474 nan 8.370 nan 0.000 0.436 220 S N 0.182 115.948 115.700 0.110 0.000 2.694 220 S HA 0.312 4.785 4.470 0.004 0.000 0.273 220 S C 0.702 175.326 174.600 0.040 0.000 1.180 220 S CA -0.929 57.304 58.200 0.056 0.000 0.864 220 S CB 1.509 64.733 63.200 0.040 0.000 1.198 220 S HN 0.392 nan 8.310 nan 0.000 0.499 221 R N -0.373 120.136 120.500 0.016 0.000 2.103 221 R HA -0.055 4.288 4.340 0.004 0.000 0.242 221 R C 2.002 178.319 176.300 0.029 0.000 1.142 221 R CA 2.081 58.190 56.100 0.016 0.000 0.960 221 R CB -0.655 29.648 30.300 0.005 0.000 0.858 221 R HN 0.525 nan 8.270 nan 0.000 0.439 222 V N -0.430 119.490 119.914 0.010 0.000 2.788 222 V HA 0.047 4.170 4.120 0.004 0.000 0.251 222 V C -0.148 176.017 176.094 0.119 0.000 1.068 222 V CA 0.755 63.060 62.300 0.009 0.000 1.090 222 V CB 0.068 31.763 31.823 -0.213 0.000 0.710 222 V HN 0.189 nan 8.190 nan 0.000 0.467 223 F N 2.486 122.413 119.950 -0.039 0.000 2.460 223 F HA 0.556 5.086 4.527 0.004 0.000 0.341 223 F C -0.354 175.451 175.800 0.007 0.000 1.130 223 F CA -1.033 56.957 58.000 -0.017 0.000 0.962 223 F CB 1.043 40.022 39.000 -0.035 0.000 1.171 223 F HN -0.155 nan 8.300 nan 0.000 0.436 224 K N 7.764 127.843 120.400 -0.536 0.000 2.507 224 K HA 0.186 4.508 4.320 0.004 0.000 0.253 224 K C 0.520 176.740 176.600 -0.633 0.000 0.969 224 K CA -0.671 55.343 56.287 -0.455 0.000 0.908 224 K CB 2.077 34.465 32.500 -0.186 0.000 1.127 224 K HN 0.777 nan 8.250 nan 0.000 0.437 225 K N 1.217 121.217 120.400 -0.666 0.000 2.097 225 K HA -0.119 4.204 4.320 0.004 0.000 0.206 225 K C 1.386 177.888 176.600 -0.164 0.000 1.049 225 K CA 1.818 57.849 56.287 -0.427 0.000 0.933 225 K CB -0.226 32.219 32.500 -0.091 0.000 0.717 225 K HN 0.617 nan 8.250 nan 0.000 0.442 226 G N 1.050 109.783 108.800 -0.112 0.000 2.679 226 G HA2 -0.146 3.816 3.960 0.004 0.000 0.212 226 G HA3 -0.146 3.816 3.960 0.004 0.000 0.212 226 G C 0.734 175.615 174.900 -0.031 0.000 1.137 226 G CA 0.195 45.271 45.100 -0.040 0.000 0.787 226 G HN 0.523 nan 8.290 nan 0.000 0.534 227 E N -0.339 119.822 120.200 -0.066 0.000 2.562 227 E HA 0.118 4.471 4.350 0.004 0.000 0.214 227 E C -0.160 176.433 176.600 -0.012 0.000 0.979 227 E CA -0.300 56.082 56.400 -0.031 0.000 1.002 227 E CB 0.558 30.233 29.700 -0.040 0.000 1.048 227 E HN 0.239 nan 8.360 nan 0.000 0.488 228 N N 0.930 119.615 118.700 -0.024 0.000 2.265 228 N HA 0.435 5.178 4.740 0.004 0.000 0.300 228 N C -1.087 174.465 175.510 0.071 0.000 1.148 228 N CA -0.448 52.614 53.050 0.020 0.000 0.772 228 N CB 2.378 40.866 38.487 0.000 0.000 1.434 228 N HN -0.077 nan 8.380 nan 0.000 0.481 229 L N 1.666 122.944 121.223 0.091 0.000 2.333 229 L HA 0.417 4.759 4.340 0.004 0.000 0.280 229 L C -0.283 176.699 176.870 0.187 0.000 1.004 229 L CA -0.890 54.028 54.840 0.129 0.000 0.820 229 L CB 1.404 43.510 42.059 0.077 0.000 1.247 229 L HN 0.436 nan 8.230 nan 0.000 0.416 230 F N 2.900 122.917 119.950 0.110 0.000 2.608 230 F HA 0.355 4.884 4.527 0.003 0.000 0.380 230 F C 1.294 177.184 175.800 0.150 0.000 1.083 230 F CA 1.226 59.313 58.000 0.145 0.000 1.266 230 F CB 0.711 39.807 39.000 0.160 0.000 1.076 230 F HN 0.721 nan 8.300 nan 0.000 0.574 231 G N 4.526 113.005 108.800 -0.535 0.000 2.199 231 G HA2 -0.359 3.603 3.960 0.004 0.000 0.254 231 G HA3 -0.359 3.603 3.960 0.004 0.000 0.254 231 G C 0.888 175.718 174.900 -0.116 0.000 0.982 231 G CA 0.390 45.289 45.100 -0.334 0.000 0.632 231 G HN 0.806 nan 8.290 nan 0.000 0.529 232 L N 0.121 121.285 121.223 -0.098 0.000 2.012 232 L HA 0.034 4.377 4.340 0.004 0.000 0.210 232 L C 2.371 179.150 176.870 -0.151 0.000 1.073 232 L CA 3.059 57.800 54.840 -0.164 0.000 0.748 232 L CB -0.851 41.074 42.059 -0.224 0.000 0.891 232 L HN 0.523 nan 8.230 nan 0.000 0.431 233 Y N 0.228 120.408 120.300 -0.199 0.000 2.128 233 Y HA -0.302 4.250 4.550 0.004 0.000 0.284 233 Y C 2.288 178.086 175.900 -0.170 0.000 1.154 233 Y CA 2.081 60.076 58.100 -0.176 0.000 1.149 233 Y CB 0.006 38.362 38.460 -0.174 0.000 0.976 233 Y HN 0.300 nan 8.280 nan 0.000 0.505 234 E N 0.253 120.255 120.200 -0.330 0.000 2.208 234 E HA -0.051 4.301 4.350 0.004 0.000 0.193 234 E C 2.011 178.651 176.600 0.067 0.000 0.988 234 E CA 1.056 57.237 56.400 -0.365 0.000 0.828 234 E CB -0.212 29.087 29.700 -0.668 0.000 0.763 234 E HN 0.559 nan 8.360 nan 0.000 0.478 235 A N 1.220 124.093 122.820 0.089 0.000 2.095 235 A HA -0.059 4.264 4.320 0.004 0.000 0.212 235 A C 1.856 179.480 177.584 0.066 0.000 1.162 235 A CA 0.663 52.834 52.037 0.222 0.000 0.753 235 A CB -0.216 18.870 19.000 0.143 0.000 0.840 235 A HN 0.212 nan 8.150 nan 0.000 0.468 236 K N 1.097 121.436 120.400 -0.102 0.000 2.147 236 K HA -0.203 4.119 4.320 0.004 0.000 0.205 236 K C 1.632 178.187 176.600 -0.075 0.000 1.049 236 K CA 1.593 57.808 56.287 -0.121 0.000 0.936 236 K CB -0.435 31.962 32.500 -0.171 0.000 0.722 236 K HN 0.682 nan 8.250 nan 0.000 0.446 237 E N 0.593 120.672 120.200 -0.202 0.000 2.107 237 E HA -0.203 4.150 4.350 0.004 0.000 0.191 237 E C 1.489 177.864 176.600 -0.375 0.000 0.982 237 E CA 0.820 57.028 56.400 -0.320 0.000 0.809 237 E CB -0.482 28.933 29.700 -0.475 0.000 0.756 237 E HN 0.449 nan 8.360 nan 0.000 0.459 238 Y N 1.331 121.564 120.300 -0.113 0.000 2.200 238 Y HA -0.027 4.527 4.550 0.006 0.000 0.290 238 Y C 2.387 178.171 175.900 -0.193 0.000 1.137 238 Y CA 0.860 58.864 58.100 -0.161 0.000 1.163 238 Y CB -0.333 38.002 38.460 -0.208 0.000 0.988 238 Y HN -0.018 nan 8.280 nan 0.000 0.518 239 I N 0.351 120.904 120.570 -0.028 0.000 2.163 239 I HA -0.367 3.806 4.170 0.004 0.000 0.243 239 I C 2.543 178.635 176.117 -0.043 0.000 1.085 239 I CA 1.818 63.069 61.300 -0.082 0.000 1.347 239 I CB -0.380 37.609 38.000 -0.018 0.000 1.044 239 I HN 0.174 nan 8.210 nan 0.000 0.408 240 K N 0.851 121.247 120.400 -0.007 0.000 2.026 240 K HA -0.257 4.066 4.320 0.004 0.000 0.208 240 K C 2.264 178.850 176.600 -0.024 0.000 1.048 240 K CA 1.605 57.895 56.287 0.004 0.000 0.929 240 K CB -0.161 32.342 32.500 0.006 0.000 0.713 240 K HN 0.158 nan 8.250 nan 0.000 0.439 241 E N 1.182 121.347 120.200 -0.057 0.000 2.051 241 E HA -0.221 4.132 4.350 0.004 0.000 0.192 241 E C 1.489 178.069 176.600 -0.033 0.000 0.991 241 E CA 1.666 58.036 56.400 -0.050 0.000 0.799 241 E CB 0.061 29.719 29.700 -0.070 0.000 0.748 241 E HN 0.466 nan 8.360 nan 0.000 0.449 242 E N -1.225 118.929 120.200 -0.077 0.000 2.299 242 E HA 0.048 4.401 4.350 0.004 0.000 0.193 242 E C 1.104 177.727 176.600 0.038 0.000 0.998 242 E CA 0.475 56.821 56.400 -0.090 0.000 0.851 242 E CB 0.146 29.639 29.700 -0.346 0.000 0.795 242 E HN 0.470 nan 8.360 nan 0.000 0.492 243 G N 1.235 110.052 108.800 0.028 0.000 2.159 243 G HA2 -0.281 3.682 3.960 0.004 0.000 0.256 243 G HA3 -0.281 3.682 3.960 0.004 0.000 0.256 243 G C -0.033 175.029 174.900 0.270 0.000 0.977 243 G CA 0.615 45.798 45.100 0.138 0.000 0.652 243 G HN 0.334 nan 8.290 nan 0.000 0.531 244 F N -2.272 117.693 119.950 0.024 0.000 2.741 244 F HA 0.862 5.391 4.527 0.004 0.000 0.313 244 F C -0.392 175.437 175.800 0.047 0.000 1.153 244 F CA -1.212 56.821 58.000 0.055 0.000 0.931 244 F CB 0.777 39.822 39.000 0.076 0.000 1.335 244 F HN 0.785 nan 8.300 nan 0.000 0.460 245 A N 1.487 124.412 122.820 0.175 0.000 2.380 245 A HA 0.866 5.189 4.320 0.004 0.000 0.315 245 A C -1.355 176.365 177.584 0.227 0.000 1.101 245 A CA -0.949 51.119 52.037 0.051 0.000 0.771 245 A CB 1.301 20.352 19.000 0.086 0.000 1.287 245 A HN 0.763 nan 8.150 nan 0.000 0.436 246 I N 1.333 121.970 120.570 0.112 0.000 2.354 246 I HA 0.317 4.490 4.170 0.004 0.000 0.292 246 I C -0.795 175.400 176.117 0.130 0.000 0.989 246 I CA -0.565 60.835 61.300 0.165 0.000 1.188 246 I CB 1.676 39.731 38.000 0.092 0.000 1.342 246 I HN 0.551 nan 8.210 nan 0.000 0.457 247 L N 9.246 130.554 121.223 0.143 0.000 2.272 247 L HA 0.604 4.947 4.340 0.004 0.000 0.289 247 L C -0.220 176.793 176.870 0.239 0.000 1.032 247 L CA -0.222 54.718 54.840 0.166 0.000 0.810 247 L CB 1.211 43.354 42.059 0.140 0.000 1.205 247 L HN 0.452 nan 8.230 nan 0.000 0.422 248 V N 1.647 121.707 119.914 0.244 0.000 3.177 248 V HA 0.594 4.717 4.120 0.004 0.000 0.319 248 V C 0.793 176.978 176.094 0.151 0.000 1.125 248 V CA -0.455 61.990 62.300 0.242 0.000 1.029 248 V CB 1.529 33.419 31.823 0.111 0.000 1.119 248 V HN 0.819 nan 8.190 nan 0.000 0.452 249 E N 1.245 121.390 120.200 -0.093 0.000 2.112 249 E HA 0.280 4.633 4.350 0.004 0.000 0.190 249 E C 0.865 177.362 176.600 -0.172 0.000 0.979 249 E CA 1.189 57.370 56.400 -0.366 0.000 0.814 249 E CB 0.215 29.599 29.700 -0.526 0.000 0.762 249 E HN 0.962 nan 8.360 nan 0.000 0.460 250 G N -0.601 108.129 108.800 -0.117 0.000 2.721 250 G HA2 0.239 4.202 3.960 0.004 0.000 0.296 250 G HA3 0.239 4.202 3.960 0.004 0.000 0.296 250 G C -0.077 174.750 174.900 -0.121 0.000 1.383 250 G CA -0.342 44.677 45.100 -0.134 0.000 0.788 250 G HN 0.163 nan 8.290 nan 0.000 0.500 251 Y N -1.068 119.092 120.300 -0.233 0.000 2.224 251 Y HA 0.046 4.598 4.550 0.004 0.000 0.289 251 Y C 2.187 178.053 175.900 -0.056 0.000 1.146 251 Y CA 1.877 59.795 58.100 -0.302 0.000 1.182 251 Y CB -0.420 37.587 38.460 -0.755 0.000 0.983 251 Y HN 0.365 nan 8.280 nan 0.000 0.524 252 F N 2.373 121.596 119.950 -1.212 0.000 2.146 252 F HA -0.122 4.407 4.527 0.002 0.000 0.298 252 F C 1.893 177.505 175.800 -0.313 0.000 1.096 252 F CA 1.799 59.345 58.000 -0.756 0.000 1.275 252 F CB -0.511 37.998 39.000 -0.818 0.000 1.008 252 F HN 0.106 nan 8.300 nan 0.000 0.480 253 D N 0.805 121.001 120.400 -0.341 0.000 2.144 253 D HA -0.227 4.415 4.640 0.004 0.000 0.199 253 D C 2.366 178.545 176.300 -0.202 0.000 0.984 253 D CA 1.625 55.458 54.000 -0.279 0.000 0.834 253 D CB -0.572 40.171 40.800 -0.095 0.000 0.955 253 D HN 0.413 nan 8.370 nan 0.000 0.465 254 L N 0.731 121.901 121.223 -0.089 0.000 2.027 254 L HA -0.111 4.232 4.340 0.004 0.000 0.206 254 L C 2.464 179.299 176.870 -0.058 0.000 1.074 254 L CA 0.830 55.684 54.840 0.024 0.000 0.745 254 L CB -0.145 42.030 42.059 0.194 0.000 0.898 254 L HN -0.049 nan 8.230 nan 0.000 0.433 255 L N -0.629 120.490 121.223 -0.173 0.000 2.083 255 L HA -0.184 4.159 4.340 0.004 0.000 0.209 255 L C 2.871 179.620 176.870 -0.202 0.000 1.083 255 L CA 0.749 55.430 54.840 -0.264 0.000 0.752 255 L CB -0.650 41.293 42.059 -0.193 0.000 0.899 255 L HN 0.268 nan 8.230 nan 0.000 0.433 256 R N -0.092 120.208 120.500 -0.335 0.000 2.066 256 R HA -0.100 4.242 4.340 0.004 0.000 0.232 256 R C 2.219 178.432 176.300 -0.145 0.000 1.131 256 R CA 1.207 57.121 56.100 -0.310 0.000 0.955 256 R CB -0.869 29.122 30.300 -0.515 0.000 0.851 256 R HN 0.226 nan 8.270 nan 0.000 0.432 257 L N -0.281 120.876 121.223 -0.111 0.000 2.042 257 L HA -0.128 4.214 4.340 0.004 0.000 0.210 257 L C 2.268 179.092 176.870 -0.077 0.000 1.076 257 L CA 1.527 56.322 54.840 -0.076 0.000 0.749 257 L CB -0.662 41.358 42.059 -0.064 0.000 0.893 257 L HN 0.027 nan 8.230 nan 0.000 0.432 258 F N -0.540 119.326 119.950 -0.140 0.000 2.171 258 F HA -0.243 4.286 4.527 0.003 0.000 0.300 258 F C 2.628 178.377 175.800 -0.084 0.000 1.090 258 F CA 1.652 59.587 58.000 -0.109 0.000 1.293 258 F CB -0.325 38.633 39.000 -0.069 0.000 1.013 258 F HN -0.018 nan 8.300 nan 0.000 0.486 259 S N -0.676 115.082 115.700 0.097 0.000 2.419 259 S HA -0.161 4.312 4.470 0.004 0.000 0.235 259 S C 1.442 176.041 174.600 -0.002 0.000 1.019 259 S CA 1.167 59.390 58.200 0.039 0.000 0.982 259 S CB -0.232 62.962 63.200 -0.009 0.000 0.789 259 S HN 0.344 nan 8.310 nan 0.000 0.490 260 E N -0.088 120.089 120.200 -0.038 0.000 2.465 260 E HA 0.253 4.606 4.350 0.004 0.000 0.195 260 E C 1.119 177.666 176.600 -0.090 0.000 1.028 260 E CA 0.276 56.646 56.400 -0.049 0.000 0.899 260 E CB 0.141 29.817 29.700 -0.040 0.000 1.032 260 E HN 0.483 nan 8.360 nan 0.000 0.468 261 G N 1.833 110.550 108.800 -0.138 0.000 2.143 261 G HA2 -0.286 3.676 3.960 0.004 0.000 0.248 261 G HA3 -0.286 3.676 3.960 0.004 0.000 0.248 261 G C 0.269 174.967 174.900 -0.335 0.000 0.991 261 G CA 0.018 44.984 45.100 -0.223 0.000 0.689 261 G HN 0.309 nan 8.290 nan 0.000 0.522 262 I N 0.314 120.668 120.570 -0.360 0.000 2.337 262 I HA 0.374 4.546 4.170 0.004 0.000 0.285 262 I C 1.342 177.069 176.117 -0.651 0.000 1.041 262 I CA -0.594 60.477 61.300 -0.383 0.000 1.199 262 I CB 1.012 38.879 38.000 -0.220 0.000 1.370 262 I HN 0.090 nan 8.210 nan 0.000 0.470 263 R N 3.088 123.070 120.500 -0.862 0.000 2.437 263 R HA 0.103 4.446 4.340 0.004 0.000 0.257 263 R C 0.376 176.266 176.300 -0.684 0.000 0.927 263 R CA -0.022 55.199 56.100 -1.465 0.000 1.078 263 R CB 0.153 29.266 30.300 -1.977 0.000 1.161 263 R HN 0.576 nan 8.270 nan 0.000 0.529 264 N N 1.042 119.499 118.700 -0.405 0.000 3.209 264 N HA 0.066 4.808 4.740 0.004 0.000 0.309 264 N C -0.806 174.621 175.510 -0.138 0.000 1.384 264 N CA 0.060 52.985 53.050 -0.208 0.000 1.173 264 N CB 0.701 38.972 38.487 -0.361 0.000 1.460 264 N HN -0.185 nan 8.380 nan 0.000 0.534 265 V N -0.070 119.834 119.914 -0.016 0.000 2.656 265 V HA 0.599 4.722 4.120 0.004 0.000 0.307 265 V C 0.099 176.269 176.094 0.125 0.000 1.051 265 V CA -0.963 61.372 62.300 0.058 0.000 0.893 265 V CB 1.825 33.697 31.823 0.081 0.000 0.999 265 V HN 0.295 nan 8.190 nan 0.000 0.426 266 V N 0.716 120.696 119.914 0.111 0.000 3.102 266 V HA 1.104 5.226 4.120 0.004 0.000 0.312 266 V C -0.306 175.890 176.094 0.171 0.000 1.135 266 V CA -0.878 61.495 62.300 0.121 0.000 1.022 266 V CB 1.823 33.691 31.823 0.076 0.000 1.056 266 V HN 1.370 nan 8.190 nan 0.000 0.436 267 A N 1.687 124.638 122.820 0.219 0.000 2.572 267 A HA 0.997 5.320 4.320 0.004 0.000 0.295 267 A C -3.248 174.460 177.584 0.206 0.000 1.072 267 A CA -1.840 50.328 52.037 0.217 0.000 0.691 267 A CB 1.901 21.046 19.000 0.241 0.000 1.291 267 A HN 0.708 nan 8.150 nan 0.000 0.404 268 P HA 0.252 nan 4.420 nan 0.000 0.269 268 P C -0.632 176.750 177.300 0.138 0.000 1.215 268 P CA -0.270 62.907 63.100 0.128 0.000 0.780 268 P CB 0.361 32.116 31.700 0.092 0.000 0.898 269 L N 3.139 124.448 121.223 0.144 0.000 2.361 269 L HA 0.258 4.600 4.340 0.004 0.000 0.278 269 L C 1.693 178.670 176.870 0.178 0.000 1.113 269 L CA 1.259 56.209 54.840 0.183 0.000 0.849 269 L CB -0.885 41.281 42.059 0.178 0.000 1.155 269 L HN 0.824 nan 8.230 nan 0.000 0.452 270 G N 3.220 112.143 108.800 0.205 0.000 3.718 270 G HA2 -0.410 3.553 3.960 0.004 0.000 0.224 270 G HA3 -0.410 3.553 3.960 0.004 0.000 0.224 270 G C 0.627 175.579 174.900 0.087 0.000 1.328 270 G CA 1.259 46.504 45.100 0.241 0.000 0.974 270 G HN 0.854 nan 8.290 nan 0.000 0.579 271 T N -2.187 112.416 114.554 0.081 0.000 2.541 271 T HA 0.782 5.135 4.350 0.004 0.000 0.222 271 T C 0.774 175.485 174.700 0.019 0.000 0.819 271 T CA 0.773 62.900 62.100 0.044 0.000 1.203 271 T CB 0.775 69.682 68.868 0.065 0.000 1.640 271 T HN 1.897 nan 8.240 nan 0.000 0.507 272 A N 0.838 123.676 122.820 0.030 0.000 2.462 272 A HA 0.546 4.868 4.320 0.004 0.000 0.243 272 A C 0.235 177.861 177.584 0.070 0.000 1.076 272 A CA -0.500 51.564 52.037 0.045 0.000 0.773 272 A CB -0.681 18.352 19.000 0.055 0.000 1.010 272 A HN 0.917 nan 8.150 nan 0.000 0.493 273 L N 2.846 124.130 121.223 0.103 0.000 2.559 273 L HA 0.255 4.597 4.340 0.004 0.000 0.282 273 L C 1.018 177.930 176.870 0.071 0.000 1.232 273 L CA 1.332 56.234 54.840 0.102 0.000 0.885 273 L CB 0.216 42.355 42.059 0.134 0.000 1.131 273 L HN 0.893 nan 8.230 nan 0.000 0.498 274 T N 0.966 115.555 114.554 0.059 0.000 2.952 274 T HA 0.309 4.662 4.350 0.004 0.000 0.286 274 T C 0.608 175.331 174.700 0.038 0.000 1.024 274 T CA -0.317 61.809 62.100 0.043 0.000 1.029 274 T CB 1.439 70.329 68.868 0.036 0.000 1.094 274 T HN 0.669 nan 8.240 nan 0.000 0.515 275 Q N 0.895 120.713 119.800 0.029 0.000 2.096 275 Q HA -0.155 4.187 4.340 0.004 0.000 0.204 275 Q C 1.946 177.967 176.000 0.035 0.000 0.982 275 Q CA 2.108 57.927 55.803 0.027 0.000 0.850 275 Q CB -0.632 28.122 28.738 0.025 0.000 0.901 275 Q HN 0.721 nan 8.270 nan 0.000 0.422 276 N N -0.121 118.600 118.700 0.034 0.000 2.149 276 N HA -0.167 4.576 4.740 0.004 0.000 0.188 276 N C 1.644 177.184 175.510 0.049 0.000 1.019 276 N CA 1.480 54.552 53.050 0.036 0.000 0.857 276 N CB -0.190 38.313 38.487 0.025 0.000 0.997 276 N HN 0.450 nan 8.380 nan 0.000 0.426 277 Q N 0.192 120.022 119.800 0.051 0.000 2.079 277 Q HA 0.051 4.394 4.340 0.004 0.000 0.200 277 Q C 2.121 178.167 176.000 0.077 0.000 0.974 277 Q CA 1.485 57.327 55.803 0.066 0.000 0.840 277 Q CB -0.129 28.651 28.738 0.069 0.000 0.898 277 Q HN 0.391 nan 8.270 nan 0.000 0.430 278 A N 1.401 124.259 122.820 0.064 0.000 1.877 278 A HA -0.244 4.078 4.320 0.004 0.000 0.216 278 A C 1.669 179.295 177.584 0.070 0.000 1.186 278 A CA 1.758 53.831 52.037 0.061 0.000 0.620 278 A CB -0.806 18.215 19.000 0.035 0.000 0.822 278 A HN 0.424 nan 8.150 nan 0.000 0.443 279 N N -0.440 118.298 118.700 0.062 0.000 2.036 279 N HA -0.202 4.540 4.740 0.004 0.000 0.195 279 N C 1.730 177.295 175.510 0.092 0.000 1.037 279 N CA 1.440 54.528 53.050 0.064 0.000 0.855 279 N CB -0.301 38.216 38.487 0.051 0.000 1.033 279 N HN 0.423 nan 8.380 nan 0.000 0.423 280 L N 1.209 122.499 121.223 0.112 0.000 2.012 280 L HA -0.111 4.232 4.340 0.004 0.000 0.210 280 L C 2.034 179.069 176.870 0.275 0.000 1.073 280 L CA 1.362 56.308 54.840 0.177 0.000 0.748 280 L CB -0.735 41.418 42.059 0.158 0.000 0.891 280 L HN 0.171 nan 8.230 nan 0.000 0.431 281 L N -0.210 121.136 121.223 0.204 0.000 2.079 281 L HA -0.199 4.144 4.340 0.004 0.000 0.210 281 L C 2.790 179.813 176.870 0.255 0.000 1.081 281 L CA 2.182 57.159 54.840 0.229 0.000 0.752 281 L CB -1.129 41.013 42.059 0.138 0.000 0.896 281 L HN 0.676 nan 8.230 nan 0.000 0.433 282 S N -1.332 114.465 115.700 0.163 0.000 2.442 282 S HA -0.210 4.263 4.470 0.004 0.000 0.236 282 S C 1.834 176.479 174.600 0.075 0.000 1.007 282 S CA 1.022 59.289 58.200 0.112 0.000 0.965 282 S CB -0.650 62.594 63.200 0.073 0.000 0.773 282 S HN 0.579 nan 8.310 nan 0.000 0.504 283 K N -0.077 120.357 120.400 0.057 0.000 2.362 283 K HA 0.073 4.396 4.320 0.004 0.000 0.200 283 K C 0.769 177.152 176.600 -0.362 0.000 1.046 283 K CA 1.074 57.266 56.287 -0.158 0.000 0.952 283 K CB -0.238 32.110 32.500 -0.254 0.000 0.753 283 K HN 0.531 nan 8.250 nan 0.000 0.466 284 F N -0.554 119.413 119.950 0.029 0.000 2.712 284 F HA 0.139 4.669 4.527 0.005 0.000 0.297 284 F C 0.860 176.677 175.800 0.027 0.000 1.114 284 F CA -0.141 57.872 58.000 0.022 0.000 1.305 284 F CB 1.161 40.173 39.000 0.021 0.000 1.086 284 F HN -0.225 nan 8.300 nan 0.000 0.599 285 T N -0.884 113.789 114.554 0.197 0.000 2.830 285 T HA 0.280 4.633 4.350 0.004 0.000 0.322 285 T C -0.427 174.350 174.700 0.129 0.000 1.501 285 T CA -0.629 61.562 62.100 0.152 0.000 1.036 285 T CB 1.375 70.345 68.868 0.170 0.000 1.379 285 T HN -0.244 nan 8.240 nan 0.000 0.493 286 K N 1.933 122.407 120.400 0.123 0.000 2.438 286 K HA 0.357 4.680 4.320 0.004 0.000 0.205 286 K C -0.280 176.406 176.600 0.144 0.000 1.033 286 K CA -0.020 56.336 56.287 0.114 0.000 1.089 286 K CB 0.615 33.168 32.500 0.089 0.000 0.857 286 K HN 0.406 nan 8.250 nan 0.000 0.522 287 K N 0.955 121.465 120.400 0.184 0.000 2.507 287 K HA 0.440 4.763 4.320 0.004 0.000 0.251 287 K C -1.199 175.558 176.600 0.263 0.000 0.943 287 K CA -0.589 55.833 56.287 0.225 0.000 0.794 287 K CB 2.755 35.391 32.500 0.227 0.000 1.188 287 K HN -0.278 nan 8.250 nan 0.000 0.428 288 V N 3.898 123.935 119.914 0.205 0.000 2.525 288 V HA 0.314 4.436 4.120 0.004 0.000 0.299 288 V C -1.291 174.875 176.094 0.119 0.000 1.034 288 V CA -0.938 61.490 62.300 0.213 0.000 0.863 288 V CB 1.169 33.064 31.823 0.121 0.000 0.999 288 V HN 0.592 nan 8.190 nan 0.000 0.423 289 Y N 4.888 125.239 120.300 0.085 0.000 2.327 289 Y HA 0.582 5.136 4.550 0.005 0.000 0.336 289 Y C 0.390 176.263 175.900 -0.044 0.000 1.035 289 Y CA -0.583 57.520 58.100 0.005 0.000 1.165 289 Y CB 1.070 39.513 38.460 -0.029 0.000 1.181 289 Y HN 0.442 nan 8.280 nan 0.000 0.494 290 I N 5.039 125.573 120.570 -0.060 0.000 2.377 290 I HA 0.303 4.476 4.170 0.004 0.000 0.293 290 I C -0.915 175.082 176.117 -0.200 0.000 0.987 290 I CA -0.836 60.340 61.300 -0.207 0.000 1.185 290 I CB 1.596 39.330 38.000 -0.444 0.000 1.341 290 I HN 0.364 nan 8.210 nan 0.000 0.455 291 L N 8.011 129.191 121.223 -0.073 0.000 2.462 291 L HA 0.485 4.827 4.340 0.004 0.000 0.255 291 L C -1.398 175.621 176.870 0.249 0.000 1.076 291 L CA -0.133 54.721 54.840 0.023 0.000 0.920 291 L CB 0.040 42.118 42.059 0.032 0.000 1.214 291 L HN 0.294 nan 8.230 nan 0.000 0.472 292 Y N 0.128 120.414 120.300 -0.023 0.000 2.596 292 Y HA 0.481 5.034 4.550 0.004 0.000 0.326 292 Y C 0.492 176.410 175.900 0.030 0.000 1.167 292 Y CA -1.619 56.486 58.100 0.007 0.000 1.246 292 Y CB 0.684 39.151 38.460 0.012 0.000 1.347 292 Y HN 0.422 nan 8.280 nan 0.000 0.515 293 D N -0.143 120.371 120.400 0.191 0.000 2.478 293 D HA 0.101 4.744 4.640 0.004 0.000 0.234 293 D C 0.562 176.964 176.300 0.170 0.000 1.154 293 D CA 0.478 54.567 54.000 0.149 0.000 0.874 293 D CB 0.558 41.417 40.800 0.098 0.000 1.198 293 D HN 0.740 nan 8.370 nan 0.000 0.455 294 G N 1.472 110.383 108.800 0.185 0.000 3.316 294 G HA2 0.269 4.232 3.960 0.004 0.000 0.255 294 G HA3 0.269 4.232 3.960 0.004 0.000 0.255 294 G C -0.317 174.683 174.900 0.168 0.000 0.880 294 G CA -0.369 44.849 45.100 0.198 0.000 1.956 294 G HN 0.476 nan 8.290 nan 0.000 0.634 295 D N -1.774 118.709 120.400 0.138 0.000 2.744 295 D HA 0.172 4.815 4.640 0.004 0.000 0.304 295 D C 0.489 176.849 176.300 0.100 0.000 1.179 295 D CA -0.793 53.271 54.000 0.106 0.000 1.024 295 D CB 0.388 41.237 40.800 0.082 0.000 1.453 295 D HN -0.037 nan 8.370 nan 0.000 0.529 296 D N -0.219 120.227 120.400 0.077 0.000 2.087 296 D HA -0.159 4.484 4.640 0.004 0.000 0.192 296 D C 2.017 178.364 176.300 0.078 0.000 0.993 296 D CA 2.871 56.913 54.000 0.070 0.000 0.828 296 D CB -0.326 40.504 40.800 0.050 0.000 0.968 296 D HN 0.465 nan 8.370 nan 0.000 0.448 297 A N -0.082 122.779 122.820 0.068 0.000 1.948 297 A HA -0.065 4.257 4.320 0.004 0.000 0.220 297 A C 2.364 180.007 177.584 0.098 0.000 1.177 297 A CA 2.257 54.335 52.037 0.068 0.000 0.636 297 A CB -1.398 17.630 19.000 0.046 0.000 0.815 297 A HN 0.399 nan 8.150 nan 0.000 0.449 298 G N -0.890 107.980 108.800 0.116 0.000 2.418 298 G HA2 -0.211 3.752 3.960 0.004 0.000 0.217 298 G HA3 -0.211 3.752 3.960 0.004 0.000 0.217 298 G C 1.775 176.813 174.900 0.231 0.000 1.158 298 G CA 0.875 46.085 45.100 0.182 0.000 0.771 298 G HN 0.557 nan 8.290 nan 0.000 0.545 299 R N 0.296 120.902 120.500 0.177 0.000 2.081 299 R HA -0.011 4.332 4.340 0.004 0.000 0.235 299 R C 2.665 179.054 176.300 0.148 0.000 1.131 299 R CA 1.442 57.645 56.100 0.172 0.000 0.960 299 R CB -0.208 30.187 30.300 0.159 0.000 0.856 299 R HN 0.279 nan 8.270 nan 0.000 0.436 300 K N -0.017 120.458 120.400 0.125 0.000 2.097 300 K HA -0.088 4.234 4.320 0.004 0.000 0.206 300 K C 2.054 178.734 176.600 0.132 0.000 1.049 300 K CA 1.307 57.658 56.287 0.107 0.000 0.933 300 K CB -0.070 32.476 32.500 0.077 0.000 0.717 300 K HN 0.159 nan 8.250 nan 0.000 0.442 301 A N 1.098 124.028 122.820 0.182 0.000 1.968 301 A HA -0.100 4.223 4.320 0.004 0.000 0.217 301 A C 2.069 179.836 177.584 0.305 0.000 1.169 301 A CA 1.135 53.325 52.037 0.256 0.000 0.638 301 A CB -0.336 18.819 19.000 0.257 0.000 0.812 301 A HN 0.159 nan 8.150 nan 0.000 0.446 302 M N -0.725 118.993 119.600 0.195 0.000 2.132 302 M HA -0.149 4.333 4.480 0.004 0.000 0.263 302 M C 2.073 178.355 176.300 -0.030 0.000 1.065 302 M CA 1.638 56.867 55.300 -0.119 0.000 1.122 302 M CB -0.392 32.088 32.600 -0.201 0.000 1.365 302 M HN 0.334 nan 8.290 nan 0.000 0.411 303 K N -0.110 120.338 120.400 0.079 0.000 2.097 303 K HA -0.059 4.263 4.320 0.004 0.000 0.205 303 K C 2.033 178.729 176.600 0.160 0.000 1.050 303 K CA 1.515 57.898 56.287 0.161 0.000 0.938 303 K CB -0.122 32.486 32.500 0.181 0.000 0.718 303 K HN 0.181 nan 8.250 nan 0.000 0.442 304 S N 0.817 116.587 115.700 0.117 0.000 2.399 304 S HA -0.119 4.353 4.470 0.004 0.000 0.231 304 S C 2.036 176.666 174.600 0.050 0.000 1.022 304 S CA 1.206 59.463 58.200 0.095 0.000 0.983 304 S CB -0.093 63.163 63.200 0.094 0.000 0.803 304 S HN 0.423 nan 8.310 nan 0.000 0.480 305 A N 0.983 123.829 122.820 0.042 0.000 2.021 305 A HA 0.220 4.543 4.320 0.004 0.000 0.216 305 A C 1.961 179.496 177.584 -0.081 0.000 1.163 305 A CA 0.336 52.375 52.037 0.003 0.000 0.676 305 A CB -0.471 18.556 19.000 0.044 0.000 0.818 305 A HN 0.438 nan 8.150 nan 0.000 0.453 306 I N 0.243 120.746 120.570 -0.112 0.000 2.163 306 I HA -0.186 3.987 4.170 0.004 0.000 0.243 306 I C -0.642 175.334 176.117 -0.236 0.000 1.085 306 I CA 1.503 62.680 61.300 -0.206 0.000 1.347 306 I CB -0.944 36.863 38.000 -0.322 0.000 1.044 306 I HN 0.203 nan 8.210 nan 0.000 0.408 307 P HA -0.143 nan 4.420 nan 0.000 0.218 307 P C 1.781 178.797 177.300 -0.474 0.000 1.149 307 P CA 1.338 63.977 63.100 -0.770 0.000 0.817 307 P CB -0.017 30.789 31.700 -1.489 0.000 0.785 308 L N -1.832 119.231 121.223 -0.267 0.000 2.093 308 L HA -0.143 4.199 4.340 0.004 0.000 0.208 308 L C 2.409 179.236 176.870 -0.072 0.000 1.085 308 L CA 1.296 56.061 54.840 -0.125 0.000 0.755 308 L CB -1.144 40.880 42.059 -0.058 0.000 0.904 308 L HN -0.030 nan 8.230 nan 0.000 0.435 309 L N -0.347 120.827 121.223 -0.081 0.000 2.027 309 L HA -0.193 4.150 4.340 0.004 0.000 0.206 309 L C 2.591 179.445 176.870 -0.027 0.000 1.074 309 L CA 1.116 55.930 54.840 -0.043 0.000 0.745 309 L CB -0.507 41.515 42.059 -0.061 0.000 0.898 309 L HN 0.224 nan 8.230 nan 0.000 0.433 310 L N -0.716 120.476 121.223 -0.051 0.000 2.012 310 L HA -0.237 4.106 4.340 0.004 0.000 0.210 310 L C 2.731 179.640 176.870 0.065 0.000 1.073 310 L CA 1.363 56.219 54.840 0.027 0.000 0.748 310 L CB -0.662 41.447 42.059 0.084 0.000 0.891 310 L HN 0.219 nan 8.230 nan 0.000 0.431 311 S N -0.036 115.695 115.700 0.053 0.000 2.400 311 S HA -0.146 4.326 4.470 0.004 0.000 0.232 311 S C 1.962 176.595 174.600 0.056 0.000 1.025 311 S CA 1.208 59.458 58.200 0.084 0.000 0.993 311 S CB -0.300 62.949 63.200 0.081 0.000 0.808 311 S HN 0.508 nan 8.310 nan 0.000 0.478 312 A N 0.292 123.135 122.820 0.038 0.000 2.238 312 A HA 0.486 4.808 4.320 0.004 0.000 0.208 312 A C 1.546 179.155 177.584 0.043 0.000 1.177 312 A CA 0.706 52.767 52.037 0.040 0.000 0.804 312 A CB -0.741 18.283 19.000 0.041 0.000 0.823 312 A HN 0.926 nan 8.150 nan 0.000 0.482 313 G N -1.361 107.466 108.800 0.046 0.000 2.142 313 G HA2 -0.152 3.811 3.960 0.004 0.000 0.225 313 G HA3 -0.152 3.811 3.960 0.004 0.000 0.225 313 G C -0.007 174.925 174.900 0.053 0.000 1.015 313 G CA 0.087 45.215 45.100 0.047 0.000 0.716 313 G HN 0.766 nan 8.290 nan 0.000 0.508 314 V N 0.398 120.343 119.914 0.051 0.000 2.539 314 V HA 0.443 4.566 4.120 0.004 0.000 0.292 314 V C 0.670 176.795 176.094 0.051 0.000 1.045 314 V CA -0.813 61.524 62.300 0.061 0.000 0.945 314 V CB 1.805 33.665 31.823 0.061 0.000 0.993 314 V HN 0.374 nan 8.190 nan 0.000 0.464 315 E N 2.142 122.387 120.200 0.075 0.000 2.289 315 E HA 0.408 4.761 4.350 0.004 0.000 0.278 315 E C -1.142 175.463 176.600 0.009 0.000 1.032 315 E CA -0.288 56.137 56.400 0.042 0.000 0.854 315 E CB 1.883 31.650 29.700 0.112 0.000 1.046 315 E HN 0.402 nan 8.360 nan 0.000 0.409 316 V N 4.090 123.893 119.914 -0.184 0.000 2.513 316 V HA 0.244 4.367 4.120 0.004 0.000 0.299 316 V C -1.039 174.773 176.094 -0.471 0.000 1.035 316 V CA -0.664 61.495 62.300 -0.234 0.000 0.889 316 V CB 0.841 32.483 31.823 -0.301 0.000 0.988 316 V HN 0.601 nan 8.190 nan 0.000 0.440 317 Y N 4.787 124.776 120.300 -0.519 0.000 2.646 317 Y HA 0.391 4.944 4.550 0.005 0.000 0.334 317 Y C -2.441 173.152 175.900 -0.511 0.000 1.004 317 Y CA -2.524 55.200 58.100 -0.626 0.000 1.301 317 Y CB 1.621 39.327 38.460 -1.256 0.000 1.093 317 Y HN 0.496 nan 8.280 nan 0.000 0.530 318 P HA 0.026 nan 4.420 nan 0.000 0.268 318 P C -0.698 176.245 177.300 -0.595 0.000 1.204 318 P CA 0.103 62.889 63.100 -0.523 0.000 0.768 318 P CB 0.969 32.288 31.700 -0.636 0.000 0.842 319 V N 5.255 124.854 119.914 -0.525 0.000 2.409 319 V HA 0.253 4.376 4.120 0.004 0.000 0.291 319 V C -0.646 175.179 176.094 -0.447 0.000 1.020 319 V CA -0.512 61.572 62.300 -0.361 0.000 0.848 319 V CB 0.620 32.360 31.823 -0.139 0.000 0.990 319 V HN 0.369 nan 8.190 nan 0.000 0.430 320 Y N 4.902 125.168 120.300 -0.056 0.000 2.454 320 Y HA 0.496 5.048 4.550 0.004 0.000 0.345 320 Y C 0.393 176.246 175.900 -0.078 0.000 0.970 320 Y CA -0.733 57.341 58.100 -0.044 0.000 1.204 320 Y CB 0.689 39.132 38.460 -0.028 0.000 1.122 320 Y HN 0.461 nan 8.280 nan 0.000 0.514 321 L N 6.478 127.731 121.223 0.050 0.000 2.461 321 L HA 0.202 4.545 4.340 0.004 0.000 0.272 321 L C -1.756 175.193 176.870 0.132 0.000 1.197 321 L CA -1.891 52.956 54.840 0.013 0.000 0.836 321 L CB 0.346 42.447 42.059 0.071 0.000 1.105 321 L HN 0.393 nan 8.230 nan 0.000 0.477 322 P HA -0.002 nan 4.420 nan 0.000 0.269 322 P C -0.660 176.840 177.300 0.333 0.000 1.215 322 P CA -0.433 62.769 63.100 0.170 0.000 0.780 322 P CB 0.530 32.264 31.700 0.058 0.000 0.898 323 E N 1.077 121.434 120.200 0.262 0.000 2.558 323 E HA 0.201 4.554 4.350 0.004 0.000 0.255 323 E C 1.350 178.127 176.600 0.295 0.000 0.968 323 E CA 1.709 58.248 56.400 0.231 0.000 0.939 323 E CB -0.860 28.931 29.700 0.151 0.000 0.921 323 E HN 0.774 nan 8.360 nan 0.000 0.477 324 G N 3.180 112.101 108.800 0.202 0.000 2.195 324 G HA2 -0.294 3.669 3.960 0.004 0.000 0.246 324 G HA3 -0.294 3.669 3.960 0.004 0.000 0.246 324 G C -0.314 174.586 174.900 0.000 0.000 0.984 324 G CA 0.249 45.394 45.100 0.075 0.000 0.633 324 G HN 0.483 nan 8.290 nan 0.000 0.525 325 Y N 2.308 122.701 120.300 0.155 0.000 2.330 325 Y HA 0.520 5.071 4.550 0.002 0.000 0.336 325 Y C 0.542 176.541 175.900 0.166 0.000 1.036 325 Y CA -0.439 57.778 58.100 0.195 0.000 1.125 325 Y CB 1.300 39.958 38.460 0.330 0.000 1.194 325 Y HN 0.309 nan 8.280 nan 0.000 0.469 326 D N 3.003 123.562 120.400 0.264 0.000 2.437 326 D HA 0.269 4.911 4.640 0.004 0.000 0.259 326 D C -2.316 174.135 176.300 0.251 0.000 1.118 326 D CA -2.495 51.631 54.000 0.210 0.000 1.017 326 D CB 0.895 41.782 40.800 0.144 0.000 1.120 326 D HN 0.158 nan 8.370 nan 0.000 0.541 327 P HA -0.183 nan 4.420 nan 0.000 0.216 327 P C 0.899 178.305 177.300 0.177 0.000 1.154 327 P CA 1.820 65.006 63.100 0.143 0.000 0.865 327 P CB 0.072 31.798 31.700 0.044 0.000 0.789 328 D N -0.606 119.870 120.400 0.126 0.000 2.092 328 D HA -0.204 4.439 4.640 0.004 0.000 0.193 328 D C 1.802 178.202 176.300 0.167 0.000 0.994 328 D CA 1.414 55.479 54.000 0.108 0.000 0.828 328 D CB -0.428 40.493 40.800 0.202 0.000 0.963 328 D HN 0.046 nan 8.370 nan 0.000 0.450 329 E N -0.619 119.710 120.200 0.214 0.000 2.106 329 E HA -0.138 4.215 4.350 0.004 0.000 0.192 329 E C 2.089 178.911 176.600 0.371 0.000 0.984 329 E CA 0.322 56.847 56.400 0.209 0.000 0.806 329 E CB -0.583 29.185 29.700 0.113 0.000 0.750 329 E HN 0.429 nan 8.360 nan 0.000 0.458 330 F N 1.506 121.701 119.950 0.407 0.000 2.095 330 F HA -0.202 4.328 4.527 0.006 0.000 0.298 330 F C 2.262 178.213 175.800 0.252 0.000 1.104 330 F CA 1.349 59.582 58.000 0.388 0.000 1.232 330 F CB -0.165 38.987 39.000 0.253 0.000 0.987 330 F HN -0.097 nan 8.300 nan 0.000 0.475 331 I N 0.188 120.982 120.570 0.372 0.000 2.226 331 I HA -0.330 3.843 4.170 0.004 0.000 0.245 331 I C 2.339 178.489 176.117 0.055 0.000 1.100 331 I CA 1.484 62.907 61.300 0.204 0.000 1.374 331 I CB -0.486 37.598 38.000 0.139 0.000 1.057 331 I HN 0.098 nan 8.210 nan 0.000 0.413 332 K N 0.234 120.655 120.400 0.034 0.000 2.097 332 K HA -0.252 4.071 4.320 0.004 0.000 0.206 332 K C 2.073 178.593 176.600 -0.133 0.000 1.049 332 K CA 1.701 57.969 56.287 -0.032 0.000 0.933 332 K CB -0.119 32.371 32.500 -0.016 0.000 0.717 332 K HN 0.371 nan 8.250 nan 0.000 0.442 333 E N -0.494 119.547 120.200 -0.264 0.000 2.086 333 E HA -0.074 4.278 4.350 0.004 0.000 0.190 333 E C 1.124 177.296 176.600 -0.714 0.000 0.975 333 E CA 0.778 56.829 56.400 -0.582 0.000 0.813 333 E CB 0.215 29.377 29.700 -0.897 0.000 0.768 333 E HN 0.177 nan 8.360 nan 0.000 0.457 334 F N -0.168 119.597 119.950 -0.309 0.000 2.717 334 F HA 0.395 4.926 4.527 0.007 0.000 0.297 334 F C 0.832 176.533 175.800 -0.164 0.000 1.113 334 F CA 0.544 58.340 58.000 -0.340 0.000 1.319 334 F CB 1.187 39.737 39.000 -0.750 0.000 1.097 334 F HN 0.113 nan 8.300 nan 0.000 0.595 335 G N 1.375 110.195 108.800 0.034 0.000 2.692 335 G HA2 -0.217 3.745 3.960 0.004 0.000 0.686 335 G HA3 -0.217 3.745 3.960 0.004 0.000 0.686 335 G C 0.712 175.681 174.900 0.115 0.000 1.243 335 G CA -0.266 44.869 45.100 0.059 0.000 0.782 335 G HN 0.394 nan 8.290 nan 0.000 0.625 336 K N 0.150 120.596 120.400 0.077 0.000 2.152 336 K HA -0.154 4.168 4.320 0.004 0.000 0.206 336 K C 1.796 178.437 176.600 0.069 0.000 1.048 336 K CA 2.125 58.454 56.287 0.070 0.000 0.933 336 K CB -0.010 32.501 32.500 0.019 0.000 0.721 336 K HN 0.430 nan 8.250 nan 0.000 0.447 337 E N 1.402 121.637 120.200 0.058 0.000 2.107 337 E HA -0.167 4.185 4.350 0.004 0.000 0.191 337 E C 1.905 178.546 176.600 0.069 0.000 0.982 337 E CA 1.218 57.643 56.400 0.043 0.000 0.809 337 E CB -0.098 29.618 29.700 0.027 0.000 0.756 337 E HN 0.394 nan 8.360 nan 0.000 0.459 338 E N -0.129 120.142 120.200 0.118 0.000 2.110 338 E HA -0.140 4.213 4.350 0.004 0.000 0.193 338 E C 1.879 178.623 176.600 0.239 0.000 0.988 338 E CA 0.788 57.288 56.400 0.168 0.000 0.804 338 E CB -0.442 29.370 29.700 0.187 0.000 0.745 338 E HN 0.326 nan 8.360 nan 0.000 0.458 339 L N 0.613 122.012 121.223 0.293 0.000 2.046 339 L HA -0.081 4.262 4.340 0.004 0.000 0.208 339 L C 2.170 179.028 176.870 -0.020 0.000 1.077 339 L CA 1.732 56.638 54.840 0.111 0.000 0.747 339 L CB -0.367 41.768 42.059 0.126 0.000 0.896 339 L HN 0.012 nan 8.230 nan 0.000 0.432 340 R N -0.862 119.638 120.500 0.000 0.000 2.083 340 R HA -0.137 4.206 4.340 0.004 0.000 0.237 340 R C 2.305 178.571 176.300 -0.056 0.000 1.137 340 R CA 1.423 57.499 56.100 -0.040 0.000 0.951 340 R CB -0.289 29.995 30.300 -0.027 0.000 0.851 340 R HN 0.349 nan 8.270 nan 0.000 0.434 341 R N 0.657 121.144 120.500 -0.022 0.000 2.081 341 R HA -0.123 4.219 4.340 0.004 0.000 0.235 341 R C 2.294 178.566 176.300 -0.047 0.000 1.131 341 R CA 0.877 56.960 56.100 -0.028 0.000 0.960 341 R CB -1.003 29.296 30.300 -0.002 0.000 0.856 341 R HN 0.187 nan 8.270 nan 0.000 0.436 342 L N 1.198 122.387 121.223 -0.056 0.000 2.012 342 L HA -0.135 4.208 4.340 0.004 0.000 0.210 342 L C 2.220 179.033 176.870 -0.094 0.000 1.073 342 L CA 1.587 56.367 54.840 -0.100 0.000 0.748 342 L CB -0.440 41.476 42.059 -0.239 0.000 0.891 342 L HN 0.069 nan 8.230 nan 0.000 0.431 343 I N -0.499 119.998 120.570 -0.122 0.000 2.142 343 I HA -0.341 3.831 4.170 0.004 0.000 0.240 343 I C 2.301 178.324 176.117 -0.156 0.000 1.078 343 I CA 1.810 63.030 61.300 -0.133 0.000 1.343 343 I CB -0.482 37.397 38.000 -0.202 0.000 1.046 343 I HN 0.424 nan 8.210 nan 0.000 0.405 344 N N 0.579 119.155 118.700 -0.206 0.000 2.104 344 N HA -0.229 4.514 4.740 0.004 0.000 0.190 344 N C 1.892 177.375 175.510 -0.046 0.000 1.024 344 N CA 1.813 54.752 53.050 -0.184 0.000 0.853 344 N CB -0.078 38.317 38.487 -0.154 0.000 1.008 344 N HN 0.356 nan 8.380 nan 0.000 0.424 345 S N -1.503 114.185 115.700 -0.020 0.000 2.515 345 S HA 0.089 4.562 4.470 0.004 0.000 0.231 345 S C 0.517 175.150 174.600 0.055 0.000 0.987 345 S CA -0.213 57.995 58.200 0.014 0.000 0.936 345 S CB -0.277 62.924 63.200 0.001 0.000 0.766 345 S HN 0.115 nan 8.310 nan 0.000 0.528 346 S N 2.264 118.016 115.700 0.087 0.000 2.488 346 S HA 0.524 4.997 4.470 0.004 0.000 0.278 346 S C 0.724 175.422 174.600 0.163 0.000 1.259 346 S CA -0.356 57.912 58.200 0.113 0.000 1.061 346 S CB 0.671 63.933 63.200 0.104 0.000 0.910 346 S HN 0.649 nan 8.310 nan 0.000 0.491 347 G N 1.952 110.816 108.800 0.107 0.000 2.527 347 G HA2 0.215 4.178 3.960 0.004 0.000 0.248 347 G HA3 0.215 4.178 3.960 0.004 0.000 0.248 347 G C -0.002 174.842 174.900 -0.092 0.000 1.231 347 G CA -0.503 44.641 45.100 0.074 0.000 0.838 347 G HN 0.647 nan 8.290 nan 0.000 0.570 348 E N 0.897 120.905 120.200 -0.320 0.000 2.437 348 E HA -0.070 4.282 4.350 0.004 0.000 0.263 348 E C 1.450 177.783 176.600 -0.445 0.000 1.030 348 E CA -0.517 55.361 56.400 -0.870 0.000 0.934 348 E CB 0.897 30.120 29.700 -0.795 0.000 0.943 348 E HN 0.301 nan 8.360 nan 0.000 0.444 349 L N 5.210 126.111 121.223 -0.537 0.000 1.976 349 L HA -0.271 4.072 4.340 0.004 0.000 0.223 349 L C 1.913 178.593 176.870 -0.317 0.000 1.081 349 L CA 2.114 56.660 54.840 -0.491 0.000 0.784 349 L CB -0.661 40.918 42.059 -0.800 0.000 0.896 349 L HN 0.659 nan 8.230 nan 0.000 0.438 350 F N -0.221 119.688 119.950 -0.067 0.000 2.259 350 F HA -0.080 4.450 4.527 0.005 0.000 0.298 350 F C 2.582 178.504 175.800 0.202 0.000 1.088 350 F CA 1.396 59.475 58.000 0.132 0.000 1.358 350 F CB -0.648 38.404 39.000 0.088 0.000 1.040 350 F HN 0.330 nan 8.300 nan 0.000 0.505 351 E N 0.063 120.403 120.200 0.232 0.000 2.077 351 E HA -0.180 4.173 4.350 0.004 0.000 0.193 351 E C 1.829 178.511 176.600 0.136 0.000 0.989 351 E CA 1.861 58.358 56.400 0.162 0.000 0.800 351 E CB -0.130 29.615 29.700 0.075 0.000 0.746 351 E HN 0.296 nan 8.360 nan 0.000 0.452 352 T N 1.435 116.039 114.554 0.084 0.000 2.777 352 T HA -0.094 4.259 4.350 0.004 0.000 0.266 352 T C 1.921 176.703 174.700 0.137 0.000 1.040 352 T CA 1.052 63.203 62.100 0.085 0.000 1.141 352 T CB -0.192 68.707 68.868 0.052 0.000 0.868 352 T HN 0.132 nan 8.240 nan 0.000 0.444 353 L N 0.337 121.682 121.223 0.204 0.000 2.012 353 L HA -0.092 4.251 4.340 0.004 0.000 0.210 353 L C 2.462 179.520 176.870 0.314 0.000 1.073 353 L CA 1.379 56.404 54.840 0.308 0.000 0.748 353 L CB -0.565 41.812 42.059 0.530 0.000 0.891 353 L HN 0.252 nan 8.230 nan 0.000 0.431 354 I N -0.415 120.366 120.570 0.353 0.000 2.208 354 I HA -0.347 3.826 4.170 0.004 0.000 0.245 354 I C 2.684 178.907 176.117 0.178 0.000 1.097 354 I CA 1.421 62.871 61.300 0.250 0.000 1.363 354 I CB -0.319 37.821 38.000 0.233 0.000 1.051 354 I HN 0.243 nan 8.210 nan 0.000 0.413 355 K N 0.383 120.865 120.400 0.137 0.000 2.097 355 K HA -0.162 4.160 4.320 0.004 0.000 0.205 355 K C 1.842 178.494 176.600 0.087 0.000 1.050 355 K CA 1.930 58.272 56.287 0.092 0.000 0.938 355 K CB 0.014 32.555 32.500 0.069 0.000 0.718 355 K HN 0.456 nan 8.250 nan 0.000 0.442 356 T N -3.222 111.377 114.554 0.076 0.000 3.054 356 T HA 0.296 4.648 4.350 0.004 0.000 0.255 356 T C 1.683 176.370 174.700 -0.021 0.000 1.035 356 T CA 0.297 62.416 62.100 0.032 0.000 0.941 356 T CB 0.613 69.494 68.868 0.022 0.000 1.026 356 T HN 0.140 nan 8.240 nan 0.000 0.533 357 A N 2.659 125.425 122.820 -0.090 0.000 1.986 357 A HA -0.137 4.185 4.320 0.004 0.000 0.220 357 A C 2.432 179.800 177.584 -0.359 0.000 1.171 357 A CA 1.049 52.899 52.037 -0.311 0.000 0.640 357 A CB -0.619 17.911 19.000 -0.784 0.000 0.811 357 A HN 0.295 nan 8.150 nan 0.000 0.451 358 R N -0.097 120.274 120.500 -0.215 0.000 2.198 358 R HA -0.222 4.121 4.340 0.004 0.000 0.258 358 R C 1.771 178.041 176.300 -0.049 0.000 1.173 358 R CA 1.850 57.926 56.100 -0.039 0.000 0.991 358 R CB -0.714 29.627 30.300 0.068 0.000 0.879 358 R HN 0.801 nan 8.270 nan 0.000 0.460 359 E N -0.356 119.813 120.200 -0.053 0.000 2.077 359 E HA -0.090 4.262 4.350 0.004 0.000 0.193 359 E C 0.462 177.038 176.600 -0.041 0.000 0.989 359 E CA 0.836 57.214 56.400 -0.037 0.000 0.800 359 E CB 0.082 29.762 29.700 -0.033 0.000 0.746 359 E HN 0.082 nan 8.360 nan 0.000 0.452 360 N N -0.330 118.336 118.700 -0.057 0.000 2.946 360 N HA -0.019 4.724 4.740 0.004 0.000 0.213 360 N C -0.049 175.426 175.510 -0.059 0.000 1.440 360 N CA -0.046 52.977 53.050 -0.045 0.000 0.745 360 N CB 0.464 38.934 38.487 -0.028 0.000 1.471 360 N HN -0.003 nan 8.380 nan 0.000 0.569 361 L N 1.581 122.752 121.223 -0.087 0.000 2.051 361 L HA -0.098 4.245 4.340 0.004 0.000 0.214 361 L C 2.013 178.868 176.870 -0.026 0.000 1.076 361 L CA 2.006 56.778 54.840 -0.113 0.000 0.758 361 L CB -0.024 41.967 42.059 -0.113 0.000 0.890 361 L HN 0.421 nan 8.230 nan 0.000 0.433 362 E N -0.508 119.684 120.200 -0.013 0.000 2.038 362 E HA -0.277 4.075 4.350 0.004 0.000 0.195 362 E C 2.171 178.773 176.600 0.004 0.000 1.000 362 E CA 1.592 57.994 56.400 0.003 0.000 0.803 362 E CB -0.166 29.533 29.700 -0.002 0.000 0.750 362 E HN 0.520 nan 8.360 nan 0.000 0.448 363 E N 0.707 120.905 120.200 -0.004 0.000 2.107 363 E HA -0.094 4.259 4.350 0.004 0.000 0.191 363 E C 1.782 178.390 176.600 0.014 0.000 0.982 363 E CA 0.991 57.388 56.400 -0.005 0.000 0.809 363 E CB 0.124 29.818 29.700 -0.011 0.000 0.756 363 E HN -0.033 nan 8.360 nan 0.000 0.459 364 K N -0.490 119.927 120.400 0.028 0.000 2.167 364 K HA 0.018 4.340 4.320 0.004 0.000 0.203 364 K C 2.073 178.748 176.600 0.125 0.000 1.052 364 K CA 1.198 57.533 56.287 0.079 0.000 0.956 364 K CB -0.286 32.246 32.500 0.052 0.000 0.735 364 K HN 0.151 nan 8.250 nan 0.000 0.451 365 T N 1.146 115.757 114.554 0.096 0.000 2.777 365 T HA -0.081 4.271 4.350 0.004 0.000 0.266 365 T C 1.927 176.636 174.700 0.014 0.000 1.040 365 T CA 0.809 62.921 62.100 0.020 0.000 1.141 365 T CB 0.016 68.930 68.868 0.077 0.000 0.868 365 T HN 0.190 nan 8.240 nan 0.000 0.444 366 R N 0.893 121.406 120.500 0.021 0.000 2.083 366 R HA -0.106 4.237 4.340 0.004 0.000 0.237 366 R C 2.398 178.700 176.300 0.004 0.000 1.137 366 R CA 1.540 57.640 56.100 0.001 0.000 0.951 366 R CB -0.199 30.083 30.300 -0.030 0.000 0.851 366 R HN 0.535 nan 8.270 nan 0.000 0.434 367 E N -0.706 119.501 120.200 0.011 0.000 2.028 367 E HA -0.201 4.152 4.350 0.004 0.000 0.191 367 E C 1.833 178.485 176.600 0.086 0.000 0.988 367 E CA 1.163 57.549 56.400 -0.023 0.000 0.799 367 E CB -0.248 29.496 29.700 0.073 0.000 0.755 367 E HN 0.209 nan 8.360 nan 0.000 0.447 368 F N 2.429 122.392 119.950 0.023 0.000 2.065 368 F HA -0.272 4.258 4.527 0.004 0.000 0.298 368 F C 2.627 178.455 175.800 0.047 0.000 1.112 368 F CA 2.254 60.286 58.000 0.053 0.000 1.212 368 F CB -0.116 38.687 39.000 -0.328 0.000 0.975 368 F HN -0.123 nan 8.300 nan 0.000 0.476 369 R N -0.780 119.769 120.500 0.082 0.000 2.092 369 R HA -0.242 4.101 4.340 0.004 0.000 0.231 369 R C 2.284 178.565 176.300 -0.031 0.000 1.119 369 R CA 1.720 57.814 56.100 -0.009 0.000 0.970 369 R CB -1.586 28.723 30.300 0.015 0.000 0.864 369 R HN 0.494 nan 8.270 nan 0.000 0.440 370 Y N 1.006 121.226 120.300 -0.134 0.000 2.114 370 Y HA -0.262 4.290 4.550 0.004 0.000 0.284 370 Y C 1.700 177.566 175.900 -0.057 0.000 1.143 370 Y CA 1.721 59.721 58.100 -0.167 0.000 1.135 370 Y CB -0.518 37.802 38.460 -0.234 0.000 0.980 370 Y HN -0.014 nan 8.280 nan 0.000 0.499 371 Y N -0.512 119.854 120.300 0.110 0.000 2.224 371 Y HA -0.207 4.346 4.550 0.005 0.000 0.289 371 Y C 2.352 178.376 175.900 0.208 0.000 1.146 371 Y CA 1.145 59.333 58.100 0.146 0.000 1.182 371 Y CB -1.140 37.318 38.460 -0.003 0.000 0.983 371 Y HN 0.210 nan 8.280 nan 0.000 0.524 372 L N -0.136 121.189 121.223 0.170 0.000 2.129 372 L HA -0.169 4.173 4.340 0.004 0.000 0.212 372 L C 2.381 179.146 176.870 -0.175 0.000 1.087 372 L CA 2.036 56.779 54.840 -0.161 0.000 0.757 372 L CB -1.141 40.683 42.059 -0.392 0.000 0.896 372 L HN 0.246 nan 8.230 nan 0.000 0.434 373 G N -2.647 105.975 108.800 -0.296 0.000 2.776 373 G HA2 -0.190 3.773 3.960 0.004 0.000 0.209 373 G HA3 -0.190 3.773 3.960 0.004 0.000 0.209 373 G C 0.907 175.458 174.900 -0.580 0.000 1.145 373 G CA 0.158 44.973 45.100 -0.475 0.000 0.791 373 G HN 0.409 nan 8.290 nan 0.000 0.530 374 F N -0.004 119.893 119.950 -0.089 0.000 2.678 374 F HA 0.421 4.950 4.527 0.005 0.000 0.305 374 F C 0.556 176.342 175.800 -0.024 0.000 1.090 374 F CA -1.031 56.935 58.000 -0.057 0.000 1.272 374 F CB 0.554 39.521 39.000 -0.056 0.000 1.060 374 F HN -0.085 nan 8.300 nan 0.000 0.576 375 I N 1.330 121.950 120.570 0.082 0.000 2.436 375 I HA 0.013 4.185 4.170 0.004 0.000 0.289 375 I C 1.672 177.788 176.117 -0.002 0.000 1.083 375 I CA 0.014 61.328 61.300 0.024 0.000 1.372 375 I CB 0.575 38.523 38.000 -0.088 0.000 1.408 375 I HN 0.117 nan 8.210 nan 0.000 0.516 376 S N 3.526 119.236 115.700 0.018 0.000 2.478 376 S HA -0.018 4.454 4.470 0.004 0.000 0.222 376 S C 0.745 175.342 174.600 -0.005 0.000 1.008 376 S CA -0.037 58.167 58.200 0.006 0.000 0.928 376 S CB -0.049 63.163 63.200 0.019 0.000 0.781 376 S HN 0.622 nan 8.310 nan 0.000 0.518 377 D N 2.160 122.556 120.400 -0.006 0.000 2.383 377 D HA 0.333 4.975 4.640 0.004 0.000 0.245 377 D C 1.323 177.614 176.300 -0.016 0.000 1.263 377 D CA 0.188 54.183 54.000 -0.008 0.000 0.936 377 D CB 0.572 41.370 40.800 -0.003 0.000 1.053 377 D HN 0.288 nan 8.370 nan 0.000 0.507 378 G N 2.546 111.339 108.800 -0.011 0.000 2.450 378 G HA2 -0.215 3.747 3.960 0.004 0.000 0.220 378 G HA3 -0.215 3.747 3.960 0.004 0.000 0.220 378 G C 1.645 176.562 174.900 0.029 0.000 1.130 378 G CA 0.587 45.687 45.100 -0.001 0.000 0.760 378 G HN 0.474 nan 8.290 nan 0.000 0.557 379 V N 0.848 120.771 119.914 0.016 0.000 2.261 379 V HA -0.169 3.954 4.120 0.004 0.000 0.246 379 V C 2.796 178.936 176.094 0.077 0.000 1.047 379 V CA 2.221 64.544 62.300 0.038 0.000 1.015 379 V CB -0.466 31.364 31.823 0.011 0.000 0.642 379 V HN 0.370 nan 8.190 nan 0.000 0.446 380 R N 0.537 121.053 120.500 0.026 0.000 2.073 380 R HA -0.160 4.183 4.340 0.004 0.000 0.234 380 R C 2.395 178.664 176.300 -0.052 0.000 1.134 380 R CA 1.942 58.038 56.100 -0.007 0.000 0.952 380 R CB -0.714 29.567 30.300 -0.033 0.000 0.850 380 R HN 0.443 nan 8.270 nan 0.000 0.433 381 R N -0.968 119.492 120.500 -0.067 0.000 2.112 381 R HA -0.224 4.119 4.340 0.004 0.000 0.242 381 R C 2.185 178.459 176.300 -0.042 0.000 1.137 381 R CA 2.221 58.248 56.100 -0.121 0.000 0.944 381 R CB -0.667 29.583 30.300 -0.083 0.000 0.857 381 R HN 0.365 nan 8.270 nan 0.000 0.435 382 F N 0.770 120.675 119.950 -0.075 0.000 2.134 382 F HA -0.130 4.400 4.527 0.004 0.000 0.299 382 F C 2.126 177.924 175.800 -0.004 0.000 1.097 382 F CA 1.570 59.548 58.000 -0.036 0.000 1.264 382 F CB -0.423 38.559 39.000 -0.031 0.000 1.001 382 F HN 0.148 nan 8.300 nan 0.000 0.479 383 A N 0.578 123.450 122.820 0.086 0.000 1.933 383 A HA -0.129 4.193 4.320 0.004 0.000 0.218 383 A C 2.265 179.827 177.584 -0.035 0.000 1.175 383 A CA 1.802 53.852 52.037 0.021 0.000 0.628 383 A CB -1.135 17.917 19.000 0.086 0.000 0.814 383 A HN 0.508 nan 8.150 nan 0.000 0.444 384 L N -0.920 120.282 121.223 -0.035 0.000 2.056 384 L HA -0.158 4.185 4.340 0.004 0.000 0.207 384 L C 3.116 180.122 176.870 0.225 0.000 1.078 384 L CA 1.018 55.895 54.840 0.062 0.000 0.749 384 L CB -0.550 41.394 42.059 -0.192 0.000 0.901 384 L HN 0.424 nan 8.230 nan 0.000 0.433 385 A N -0.505 122.346 122.820 0.052 0.000 1.902 385 A HA -0.204 4.118 4.320 0.004 0.000 0.217 385 A C 2.505 180.082 177.584 -0.011 0.000 1.181 385 A CA 2.140 54.229 52.037 0.087 0.000 0.623 385 A CB -0.672 18.278 19.000 -0.083 0.000 0.818 385 A HN 0.382 nan 8.150 nan 0.000 0.443 386 S N -0.681 114.857 115.700 -0.271 0.000 2.370 386 S HA -0.199 4.274 4.470 0.004 0.000 0.226 386 S C 1.948 176.546 174.600 -0.003 0.000 1.033 386 S CA 1.463 59.522 58.200 -0.235 0.000 1.011 386 S CB -0.314 62.644 63.200 -0.405 0.000 0.852 386 S HN 0.714 nan 8.310 nan 0.000 0.457 387 E N -0.088 120.126 120.200 0.023 0.000 2.051 387 E HA -0.154 4.198 4.350 0.004 0.000 0.192 387 E C 1.815 178.431 176.600 0.027 0.000 0.991 387 E CA 0.967 57.387 56.400 0.033 0.000 0.799 387 E CB -0.155 29.587 29.700 0.070 0.000 0.748 387 E HN 0.526 nan 8.360 nan 0.000 0.449 388 F N 0.386 120.292 119.950 -0.074 0.000 2.134 388 F HA -0.208 4.321 4.527 0.004 0.000 0.299 388 F C 2.427 178.211 175.800 -0.026 0.000 1.097 388 F CA 2.127 60.043 58.000 -0.140 0.000 1.264 388 F CB -0.269 38.414 39.000 -0.527 0.000 1.001 388 F HN 0.176 nan 8.300 nan 0.000 0.479 389 H N -0.599 118.565 119.070 0.157 0.000 2.290 389 H HA -0.150 4.408 4.556 0.004 0.000 0.298 389 H C 2.153 177.464 175.328 -0.027 0.000 1.087 389 H CA 2.604 58.699 56.048 0.079 0.000 1.291 389 H CB -0.695 29.083 29.762 0.027 0.000 1.369 389 H HN 0.171 nan 8.280 nan 0.000 0.492 390 T N 0.464 114.946 114.554 -0.120 0.000 2.635 390 T HA -0.212 4.140 4.350 0.004 0.000 0.267 390 T C 1.956 176.478 174.700 -0.297 0.000 1.040 390 T CA 1.897 63.875 62.100 -0.204 0.000 1.156 390 T CB -0.283 68.530 68.868 -0.091 0.000 0.863 390 T HN 0.365 nan 8.240 nan 0.000 0.430 391 K N -0.188 119.993 120.400 -0.365 0.000 1.985 391 K HA -0.095 4.228 4.320 0.004 0.000 0.210 391 K C 1.517 177.660 176.600 -0.762 0.000 1.047 391 K CA 1.559 57.463 56.287 -0.637 0.000 0.932 391 K CB -0.150 31.805 32.500 -0.908 0.000 0.716 391 K HN 0.403 nan 8.250 nan 0.000 0.439 392 Y N 0.095 120.168 120.300 -0.378 0.000 2.458 392 Y HA 0.283 4.835 4.550 0.004 0.000 0.256 392 Y C 0.093 175.881 175.900 -0.186 0.000 1.159 392 Y CA -0.158 57.754 58.100 -0.314 0.000 1.261 392 Y CB 0.675 38.856 38.460 -0.465 0.000 1.119 392 Y HN 0.047 nan 8.280 nan 0.000 0.524 393 K N -0.750 119.568 120.400 -0.136 0.000 3.407 393 K HA -0.160 4.163 4.320 0.004 0.000 0.312 393 K C -0.446 176.150 176.600 -0.005 0.000 1.302 393 K CA 0.501 56.685 56.287 -0.171 0.000 0.931 393 K CB -1.890 30.543 32.500 -0.111 0.000 1.257 393 K HN 0.035 nan 8.250 nan 0.000 0.454 394 V N 1.891 121.886 119.914 0.135 0.000 2.521 394 V HA 0.081 4.203 4.120 0.004 0.000 0.286 394 V C -1.804 174.489 176.094 0.332 0.000 1.034 394 V CA -1.090 61.346 62.300 0.227 0.000 1.045 394 V CB 0.553 32.562 31.823 0.310 0.000 0.974 394 V HN -0.006 nan 8.190 nan 0.000 0.480 395 P HA 0.077 nan 4.420 nan 0.000 0.265 395 P C 0.979 178.353 177.300 0.123 0.000 1.193 395 P CA -0.090 63.142 63.100 0.221 0.000 0.765 395 P CB 0.407 32.178 31.700 0.120 0.000 0.823 396 M N 2.253 121.820 119.600 -0.055 0.000 2.195 396 M HA -0.174 4.309 4.480 0.004 0.000 0.260 396 M C 1.557 177.842 176.300 -0.024 0.000 1.066 396 M CA 1.892 57.121 55.300 -0.119 0.000 1.089 396 M CB -1.078 31.370 32.600 -0.255 0.000 1.377 396 M HN 0.443 nan 8.290 nan 0.000 0.411 397 E N -0.395 119.803 120.200 -0.003 0.000 2.285 397 E HA -0.070 4.282 4.350 0.004 0.000 0.194 397 E C 1.967 178.578 176.600 0.017 0.000 0.997 397 E CA 0.702 57.106 56.400 0.008 0.000 0.845 397 E CB -0.370 29.336 29.700 0.010 0.000 0.782 397 E HN 0.371 nan 8.360 nan 0.000 0.491 398 I N 1.609 122.200 120.570 0.035 0.000 2.233 398 I HA -0.144 4.029 4.170 0.004 0.000 0.243 398 I C 2.617 178.752 176.117 0.031 0.000 1.093 398 I CA 0.754 62.077 61.300 0.038 0.000 1.380 398 I CB -1.042 36.994 38.000 0.061 0.000 1.067 398 I HN 0.071 nan 8.210 nan 0.000 0.413 399 L N 0.006 121.256 121.223 0.045 0.000 2.131 399 L HA -0.155 4.188 4.340 0.004 0.000 0.210 399 L C 2.164 179.038 176.870 0.006 0.000 1.092 399 L CA 1.084 55.951 54.840 0.044 0.000 0.759 399 L CB -0.469 41.644 42.059 0.091 0.000 0.903 399 L HN 0.197 nan 8.230 nan 0.000 0.435 400 L N -0.626 120.595 121.223 -0.004 0.000 2.612 400 L HA 0.087 4.430 4.340 0.004 0.000 0.230 400 L C 0.805 177.655 176.870 -0.032 0.000 1.140 400 L CA -0.142 54.684 54.840 -0.023 0.000 0.896 400 L CB -0.068 41.989 42.059 -0.004 0.000 1.065 400 L HN 0.354 nan 8.230 nan 0.000 0.447 401 M N 0.428 120.013 119.600 -0.024 0.000 2.461 401 M HA -0.224 4.259 4.480 0.004 0.000 0.203 401 M C -0.340 175.947 176.300 -0.022 0.000 0.428 401 M CA 0.984 56.268 55.300 -0.027 0.000 0.509 401 M CB -1.229 31.341 32.600 -0.050 0.000 1.851 401 M HN 0.217 nan 8.290 nan 0.000 0.834 402 K N 0.747 121.141 120.400 -0.011 0.000 2.338 402 K HA 0.453 4.775 4.320 0.004 0.000 0.290 402 K C 0.053 176.651 176.600 -0.003 0.000 1.069 402 K CA -0.135 56.148 56.287 -0.008 0.000 0.941 402 K CB 0.889 33.388 32.500 -0.002 0.000 1.023 402 K HN 0.270 nan 8.250 nan 0.000 0.477 403 I N 0.000 120.567 120.570 -0.006 0.000 2.984 403 I HA 0.000 4.173 4.170 0.004 0.000 0.288 403 I CA 0.000 61.298 61.300 -0.003 0.000 1.566 403 I CB 0.000 37.997 38.000 -0.005 0.000 1.214 403 I HN 0.000 nan 8.210 nan 0.000 0.494