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 1o89_1_A DATA FIRST_RESID 1 DATA SEQUENCE LQALLLEQQX XXTLASVQTL DESRLPEGDV TVDVHWSSLN YKDALAITGK DATA SEQUENCE GKIIRNFPMI PGIDFAGTVR TSEDPRFHAG QEVLLTGWGV GENHWGGLAE DATA SEQUENCE QARVKGDWLV AMPQGLDARK AMIIGTAGFT AMLCVMALED AGVRPQDGEI DATA SEQUENCE VVTGASGGVG STAVALLHKL GYQVVAVSGR ESTHEYLKSL GASRVLPRDE DATA SEQUENCE FAESRPLEKQ VWAGAIDTVG DKVLAKVLAQ MNYGGCVAAC GLAGGFTLPT DATA SEQUENCE TVMPFILRNV RLQGVDSVMT PPERRAQAWQ RLVADLPESF YTQAAKEISL DATA SEQUENCE SEAPNFAEAI INNQIQGRTL VKV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.840 176.870 -0.050 0.000 1.165 1 L CA 0.000 54.819 54.840 -0.036 0.000 0.813 1 L CB 0.000 42.038 42.059 -0.034 0.000 0.961 2 Q N 1.965 121.728 119.800 -0.062 0.000 2.340 2 Q HA 0.821 5.161 4.340 -0.000 0.000 0.249 2 Q C -0.351 175.590 176.000 -0.098 0.000 0.957 2 Q CA 0.208 55.967 55.803 -0.073 0.000 0.882 2 Q CB 1.986 30.683 28.738 -0.067 0.000 1.235 2 Q HN 0.985 nan 8.270 nan 0.000 0.439 3 A N 2.194 124.945 122.820 -0.116 0.000 2.577 3 A HA 0.393 4.713 4.320 -0.000 0.000 0.297 3 A C -1.567 175.928 177.584 -0.149 0.000 1.060 3 A CA -0.732 51.211 52.037 -0.157 0.000 0.697 3 A CB 1.074 19.932 19.000 -0.236 0.000 1.281 3 A HN 0.566 nan 8.150 nan 0.000 0.402 4 L N 2.072 123.214 121.223 -0.135 0.000 2.385 4 L HA 0.573 4.913 4.340 -0.000 0.000 0.281 4 L C -0.810 175.962 176.870 -0.163 0.000 1.106 4 L CA -0.129 54.643 54.840 -0.113 0.000 0.856 4 L CB 0.459 42.476 42.059 -0.071 0.000 1.186 4 L HN 0.662 nan 8.230 nan 0.000 0.453 5 L N 6.054 127.184 121.223 -0.155 0.000 2.296 5 L HA 0.508 4.848 4.340 -0.000 0.000 0.286 5 L C -0.915 175.916 176.870 -0.065 0.000 1.023 5 L CA -0.156 54.575 54.840 -0.182 0.000 0.812 5 L CB 1.339 43.280 42.059 -0.196 0.000 1.223 5 L HN 0.488 nan 8.230 nan 0.000 0.421 6 L N 4.940 126.158 121.223 -0.008 0.000 2.275 6 L HA 0.522 4.862 4.340 -0.000 0.000 0.288 6 L C -0.265 176.745 176.870 0.233 0.000 1.046 6 L CA -0.428 54.486 54.840 0.123 0.000 0.805 6 L CB 1.198 43.387 42.059 0.216 0.000 1.193 6 L HN 0.619 nan 8.230 nan 0.000 0.426 7 E N 2.382 122.645 120.200 0.105 0.000 2.288 7 E HA 0.320 4.670 4.350 -0.000 0.000 0.268 7 E C -1.213 175.235 176.600 -0.253 0.000 0.885 7 E CA -0.789 55.624 56.400 0.023 0.000 0.767 7 E CB 2.608 32.312 29.700 0.007 0.000 1.220 7 E HN 0.467 nan 8.360 nan 0.000 0.427 8 Q N 1.955 121.469 119.800 -0.478 0.000 2.421 8 Q HA 0.312 4.652 4.340 -0.000 0.000 0.242 8 Q C -0.507 175.350 176.000 -0.239 0.000 1.024 8 Q CA -0.222 55.264 55.803 -0.528 0.000 0.891 8 Q CB 1.288 29.554 28.738 -0.787 0.000 1.222 8 Q HN 0.599 nan 8.270 nan 0.000 0.483 14 L N 3.698 124.881 121.223 -0.068 0.000 2.281 14 L HA 0.803 5.142 4.340 -0.000 0.000 0.285 14 L C 0.299 177.159 176.870 -0.016 0.000 1.074 14 L CA 0.021 54.839 54.840 -0.036 0.000 0.817 14 L CB 0.519 42.555 42.059 -0.038 0.000 1.168 14 L HN 1.036 nan 8.230 nan 0.000 0.434 15 A N 4.181 126.997 122.820 -0.007 0.000 2.258 15 A HA 0.751 5.071 4.320 -0.000 0.000 0.316 15 A C -0.449 177.128 177.584 -0.012 0.000 1.279 15 A CA -0.034 52.001 52.037 -0.003 0.000 0.876 15 A CB 0.627 19.632 19.000 0.007 0.000 1.170 15 A HN 0.761 nan 8.150 nan 0.000 0.520 16 S N 1.266 116.952 115.700 -0.023 0.000 2.556 16 S HA 0.647 5.117 4.470 -0.000 0.000 0.271 16 S C -0.846 173.728 174.600 -0.043 0.000 1.135 16 S CA -0.678 57.506 58.200 -0.027 0.000 0.858 16 S CB 1.214 64.399 63.200 -0.024 0.000 1.114 16 S HN 0.760 nan 8.310 nan 0.000 0.468 17 V N 2.468 122.357 119.914 -0.040 0.000 2.530 17 V HA 0.453 4.572 4.120 -0.000 0.000 0.282 17 V C 0.094 176.156 176.094 -0.053 0.000 1.048 17 V CA 0.100 62.368 62.300 -0.053 0.000 0.997 17 V CB 0.822 32.618 31.823 -0.045 0.000 0.987 17 V HN 0.918 nan 8.190 nan 0.000 0.477 18 Q N 1.725 121.484 119.800 -0.069 0.000 2.456 18 Q HA 0.452 4.792 4.340 -0.000 0.000 0.283 18 Q C -0.923 175.040 176.000 -0.061 0.000 1.084 18 Q CA -0.678 55.090 55.803 -0.060 0.000 0.801 18 Q CB 2.657 31.355 28.738 -0.065 0.000 1.434 18 Q HN 0.690 nan 8.270 nan 0.000 0.419 19 T N 2.065 116.594 114.554 -0.041 0.000 2.767 19 T HA 0.540 4.890 4.350 -0.000 0.000 0.288 19 T C -0.768 173.920 174.700 -0.020 0.000 0.963 19 T CA -0.221 61.859 62.100 -0.033 0.000 1.019 19 T CB 0.119 68.974 68.868 -0.022 0.000 0.923 19 T HN 0.241 nan 8.240 nan 0.000 0.468 20 L N 2.935 124.150 121.223 -0.014 0.000 2.386 20 L HA 0.468 4.808 4.340 -0.000 0.000 0.271 20 L C 0.288 177.183 176.870 0.043 0.000 0.993 20 L CA -1.096 53.758 54.840 0.024 0.000 0.819 20 L CB 1.935 44.008 42.059 0.023 0.000 1.294 20 L HN 0.531 nan 8.230 nan 0.000 0.414 21 D N 1.736 122.170 120.400 0.057 0.000 2.382 21 D HA -0.027 4.613 4.640 -0.000 0.000 0.245 21 D C 0.825 177.158 176.300 0.056 0.000 1.120 21 D CA 0.210 54.236 54.000 0.043 0.000 0.890 21 D CB 1.485 42.305 40.800 0.033 0.000 1.201 21 D HN 0.634 nan 8.370 nan 0.000 0.433 22 E N 0.807 121.025 120.200 0.031 0.000 2.171 22 E HA -0.221 4.129 4.350 -0.000 0.000 0.197 22 E C 1.884 178.492 176.600 0.014 0.000 0.997 22 E CA 1.393 57.807 56.400 0.024 0.000 0.810 22 E CB 0.155 29.857 29.700 0.003 0.000 0.738 22 E HN 0.511 nan 8.360 nan 0.000 0.467 23 S N 0.030 115.733 115.700 0.006 0.000 2.474 23 S HA -0.093 4.377 4.470 -0.000 0.000 0.235 23 S C 1.701 176.279 174.600 -0.038 0.000 0.997 23 S CA 0.523 58.713 58.200 -0.017 0.000 0.949 23 S CB -0.044 63.147 63.200 -0.015 0.000 0.766 23 S HN 0.185 nan 8.310 nan 0.000 0.517 24 R N 0.211 120.709 120.500 -0.003 0.000 2.275 24 R HA 0.333 4.672 4.340 -0.000 0.000 0.199 24 R C 0.211 176.364 176.300 -0.245 0.000 0.989 24 R CA -0.116 55.953 56.100 -0.052 0.000 1.016 24 R CB -0.265 30.115 30.300 0.134 0.000 0.918 24 R HN 0.413 nan 8.270 nan 0.000 0.473 25 L N 3.134 124.299 121.223 -0.097 0.000 2.506 25 L HA 0.040 4.380 4.340 -0.000 0.000 0.281 25 L C -1.684 174.987 176.870 -0.333 0.000 1.228 25 L CA -1.356 53.399 54.840 -0.142 0.000 0.850 25 L CB 0.008 42.067 42.059 -0.000 0.000 1.110 25 L HN -0.055 nan 8.230 nan 0.000 0.496 26 P HA 0.078 nan 4.420 nan 0.000 0.274 26 P C -0.801 176.376 177.300 -0.205 0.000 1.246 26 P CA -0.537 62.294 63.100 -0.447 0.000 0.795 26 P CB 0.497 31.758 31.700 -0.732 0.000 1.006 27 E N -0.420 119.692 120.200 -0.147 0.000 2.442 27 E HA 0.398 4.748 4.350 -0.000 0.000 0.262 27 E C 0.428 177.003 176.600 -0.040 0.000 1.004 27 E CA 0.530 56.880 56.400 -0.083 0.000 0.928 27 E CB 0.110 29.763 29.700 -0.077 0.000 0.937 27 E HN 0.685 nan 8.360 nan 0.000 0.446 28 G N 1.865 110.616 108.800 -0.081 0.000 2.404 28 G HA2 0.103 4.063 3.960 -0.000 0.000 0.298 28 G HA3 0.103 4.063 3.960 -0.000 0.000 0.298 28 G C -0.820 174.008 174.900 -0.119 0.000 1.577 28 G CA -0.676 44.347 45.100 -0.128 0.000 0.847 28 G HN 0.539 nan 8.290 nan 0.000 0.598 29 D N -1.322 118.988 120.400 -0.151 0.000 2.369 29 D HA 0.249 4.889 4.640 -0.000 0.000 0.211 29 D C 0.566 176.811 176.300 -0.092 0.000 1.077 29 D CA -0.034 53.902 54.000 -0.106 0.000 0.842 29 D CB 0.987 41.728 40.800 -0.099 0.000 0.947 29 D HN 0.387 nan 8.370 nan 0.000 0.509 30 V N 0.509 120.350 119.914 -0.121 0.000 2.525 30 V HA 0.406 4.526 4.120 -0.000 0.000 0.299 30 V C -0.273 175.764 176.094 -0.095 0.000 1.034 30 V CA -0.749 61.476 62.300 -0.124 0.000 0.863 30 V CB 1.896 33.574 31.823 -0.242 0.000 0.999 30 V HN -0.030 nan 8.190 nan 0.000 0.423 31 T N 4.333 118.841 114.554 -0.077 0.000 2.795 31 T HA 0.630 4.980 4.350 -0.000 0.000 0.282 31 T C -0.286 174.358 174.700 -0.094 0.000 0.980 31 T CA -0.370 61.686 62.100 -0.072 0.000 1.012 31 T CB 1.607 70.441 68.868 -0.057 0.000 0.936 31 T HN 0.387 nan 8.240 nan 0.000 0.457 32 V N 3.289 123.127 119.914 -0.126 0.000 2.448 32 V HA 0.292 4.411 4.120 -0.000 0.000 0.295 32 V C -0.255 175.702 176.094 -0.228 0.000 1.025 32 V CA -1.087 61.119 62.300 -0.157 0.000 0.859 32 V CB 1.856 33.615 31.823 -0.106 0.000 0.988 32 V HN 0.807 nan 8.190 nan 0.000 0.431 33 D N 3.697 123.960 120.400 -0.228 0.000 2.359 33 D HA 0.181 4.821 4.640 -0.000 0.000 0.250 33 D C -0.005 176.002 176.300 -0.487 0.000 1.264 33 D CA 0.206 54.029 54.000 -0.294 0.000 0.911 33 D CB 1.512 42.169 40.800 -0.239 0.000 1.056 33 D HN 0.243 nan 8.370 nan 0.000 0.499 34 V N 4.192 123.878 119.914 -0.381 0.000 2.555 34 V HA -0.009 4.111 4.120 -0.000 0.000 0.286 34 V C 1.246 177.183 176.094 -0.261 0.000 1.044 34 V CA 0.015 62.125 62.300 -0.316 0.000 1.026 34 V CB 1.115 32.769 31.823 -0.282 0.000 0.981 34 V HN 0.588 nan 8.190 nan 0.000 0.480 35 H N 2.206 121.249 119.070 -0.046 0.000 2.481 35 H HA 0.198 4.753 4.556 -0.000 0.000 0.291 35 H C -0.378 174.726 175.328 -0.373 0.000 1.009 35 H CA 0.127 56.063 56.048 -0.187 0.000 1.282 35 H CB 0.493 30.213 29.762 -0.070 0.000 1.457 35 H HN 0.608 nan 8.280 nan 0.000 0.525 36 W N 0.112 121.506 121.300 0.155 0.000 2.998 36 W HA 0.529 5.189 4.660 -0.000 0.000 0.335 36 W C 0.277 176.866 176.519 0.117 0.000 1.110 36 W CA -0.370 57.041 57.345 0.109 0.000 1.230 36 W CB 1.916 31.438 29.460 0.103 0.000 1.405 36 W HN -0.159 nan 8.180 nan 0.000 0.493 37 S N 0.972 116.880 115.700 0.347 0.000 3.255 37 S HA 0.890 5.360 4.470 -0.000 0.000 0.305 37 S C -0.746 173.997 174.600 0.237 0.000 1.067 37 S CA -0.449 57.911 58.200 0.268 0.000 0.966 37 S CB 1.034 64.350 63.200 0.193 0.000 1.366 37 S HN 0.346 nan 8.310 nan 0.000 0.717 38 S N -0.003 115.800 115.700 0.171 0.000 2.615 38 S HA 0.535 5.005 4.470 -0.000 0.000 0.269 38 S C -1.688 172.978 174.600 0.110 0.000 1.161 38 S CA -0.742 57.541 58.200 0.138 0.000 0.817 38 S CB 1.076 64.354 63.200 0.130 0.000 1.131 38 S HN 0.587 nan 8.310 nan 0.000 0.467 39 L N 2.475 123.760 121.223 0.103 0.000 2.426 39 L HA 0.378 4.717 4.340 -0.000 0.000 0.255 39 L C -0.027 176.912 176.870 0.115 0.000 1.080 39 L CA -0.508 54.393 54.840 0.102 0.000 0.960 39 L CB 0.091 42.217 42.059 0.112 0.000 1.326 39 L HN 0.593 nan 8.230 nan 0.000 0.441 40 N N 0.257 119.023 118.700 0.110 0.000 2.326 40 N HA -0.097 4.642 4.740 -0.000 0.000 0.239 40 N C 0.805 176.410 175.510 0.159 0.000 1.301 40 N CA 0.012 53.140 53.050 0.129 0.000 0.909 40 N CB 1.002 39.556 38.487 0.110 0.000 1.156 40 N HN 0.352 nan 8.380 nan 0.000 0.462 41 Y N 1.337 121.660 120.300 0.039 0.000 2.165 41 Y HA -0.161 4.389 4.550 -0.000 0.000 0.286 41 Y C 2.059 177.979 175.900 0.034 0.000 1.155 41 Y CA 1.694 59.814 58.100 0.034 0.000 1.164 41 Y CB 0.044 38.519 38.460 0.025 0.000 0.978 41 Y HN 0.460 nan 8.280 nan 0.000 0.513 42 K N -0.160 120.260 120.400 0.032 0.000 2.063 42 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 42 K C 1.649 178.213 176.600 -0.060 0.000 1.048 42 K CA 1.743 58.003 56.287 -0.045 0.000 0.928 42 K CB -0.346 32.161 32.500 0.011 0.000 0.713 42 K HN 0.436 nan 8.250 nan 0.000 0.442 43 D N 0.556 120.952 120.400 -0.008 0.000 2.178 43 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 43 D C 1.827 178.119 176.300 -0.013 0.000 0.974 43 D CA 1.029 55.033 54.000 0.006 0.000 0.841 43 D CB -0.035 40.791 40.800 0.043 0.000 0.953 43 D HN 0.192 nan 8.370 nan 0.000 0.478 44 A N 0.853 123.651 122.820 -0.037 0.000 1.930 44 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 44 A C 2.390 179.907 177.584 -0.113 0.000 1.175 44 A CA 0.707 52.717 52.037 -0.045 0.000 0.627 44 A CB -0.657 18.336 19.000 -0.012 0.000 0.815 44 A HN 0.147 nan 8.150 nan 0.000 0.443 45 L N -0.680 120.407 121.223 -0.227 0.000 2.027 45 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 45 L C 3.107 179.931 176.870 -0.076 0.000 1.074 45 L CA 1.089 55.808 54.840 -0.200 0.000 0.745 45 L CB -0.606 41.286 42.059 -0.278 0.000 0.898 45 L HN 0.403 nan 8.230 nan 0.000 0.433 46 A N 0.353 123.144 122.820 -0.049 0.000 1.883 46 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 46 A C 2.242 179.853 177.584 0.044 0.000 1.186 46 A CA 1.901 53.947 52.037 0.015 0.000 0.624 46 A CB -0.774 18.230 19.000 0.007 0.000 0.822 46 A HN 0.368 nan 8.150 nan 0.000 0.444 47 I N 0.044 120.626 120.570 0.020 0.000 2.252 47 I HA -0.192 3.977 4.170 -0.000 0.000 0.245 47 I C 2.663 178.794 176.117 0.023 0.000 1.102 47 I CA 1.741 63.058 61.300 0.029 0.000 1.385 47 I CB -0.356 37.660 38.000 0.026 0.000 1.064 47 I HN 0.530 nan 8.210 nan 0.000 0.414 48 T N -2.023 112.536 114.554 0.008 0.000 3.055 48 T HA 0.137 4.486 4.350 -0.000 0.000 0.265 48 T C 1.647 176.348 174.700 0.001 0.000 1.111 48 T CA 0.632 62.733 62.100 0.002 0.000 1.118 48 T CB 0.103 68.966 68.868 -0.008 0.000 0.909 48 T HN 0.544 nan 8.240 nan 0.000 0.501 49 G N 1.435 110.243 108.800 0.012 0.000 2.176 49 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.253 49 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.253 49 G C 0.150 175.056 174.900 0.010 0.000 0.979 49 G CA 0.217 45.326 45.100 0.016 0.000 0.641 49 G HN 0.642 nan 8.290 nan 0.000 0.530 50 K N 0.495 120.892 120.400 -0.005 0.000 2.179 50 K HA 0.595 4.915 4.320 -0.000 0.000 0.238 50 K C 1.320 177.910 176.600 -0.017 0.000 1.033 50 K CA -0.083 56.197 56.287 -0.011 0.000 0.926 50 K CB 0.496 32.983 32.500 -0.022 0.000 1.151 50 K HN 1.345 nan 8.250 nan 0.000 0.492 51 G N 0.672 109.462 108.800 -0.017 0.000 2.601 51 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.261 51 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.261 51 G C -0.507 174.399 174.900 0.009 0.000 1.289 51 G CA 0.003 45.093 45.100 -0.016 0.000 0.920 51 G HN 0.512 nan 8.290 nan 0.000 0.571 52 K N -0.812 119.592 120.400 0.007 0.000 3.446 52 K HA 0.256 4.576 4.320 -0.000 0.000 0.168 52 K C 0.748 177.352 176.600 0.006 0.000 1.108 52 K CA -0.253 56.049 56.287 0.025 0.000 0.738 52 K CB 0.102 32.614 32.500 0.020 0.000 0.912 52 K HN 0.377 nan 8.250 nan 0.000 0.541 53 I N 0.599 121.168 120.570 -0.002 0.000 3.728 53 I HA 0.158 4.328 4.170 -0.000 0.000 0.307 53 I C 0.275 176.368 176.117 -0.040 0.000 1.276 53 I CA 0.608 61.895 61.300 -0.022 0.000 1.285 53 I CB 0.484 38.467 38.000 -0.030 0.000 1.038 53 I HN 0.158 nan 8.210 nan 0.000 0.445 54 I N 0.644 121.190 120.570 -0.040 0.000 2.478 54 I HA 0.246 4.416 4.170 -0.000 0.000 0.287 54 I C 0.813 176.849 176.117 -0.135 0.000 1.042 54 I CA -0.352 60.848 61.300 -0.166 0.000 1.067 54 I CB 2.204 40.029 38.000 -0.291 0.000 1.233 54 I HN 0.017 nan 8.210 nan 0.000 0.431 55 R N 4.251 124.654 120.500 -0.162 0.000 2.195 55 R HA 0.213 4.553 4.340 -0.000 0.000 0.197 55 R C -0.316 175.937 176.300 -0.078 0.000 0.990 55 R CA 0.399 56.479 56.100 -0.034 0.000 1.048 55 R CB 0.446 30.741 30.300 -0.008 0.000 0.997 55 R HN 0.602 nan 8.270 nan 0.000 0.502 56 N N 0.218 118.744 118.700 -0.291 0.000 2.417 56 N HA 0.295 5.035 4.740 -0.000 0.000 0.274 56 N C -1.795 173.485 175.510 -0.384 0.000 0.987 56 N CA -0.340 52.603 53.050 -0.179 0.000 0.912 56 N CB 1.368 39.808 38.487 -0.077 0.000 1.177 56 N HN -0.023 nan 8.380 nan 0.000 0.490 57 F N 1.084 121.084 119.950 0.084 0.000 2.546 57 F HA 0.594 5.121 4.527 -0.000 0.000 0.320 57 F C -1.671 174.200 175.800 0.119 0.000 1.076 57 F CA -1.843 56.217 58.000 0.099 0.000 0.928 57 F CB 1.062 40.097 39.000 0.058 0.000 1.189 57 F HN 0.309 nan 8.300 nan 0.000 0.465 58 P HA 0.502 nan 4.420 nan 0.000 0.276 58 P C -1.223 176.279 177.300 0.337 0.000 1.244 58 P CA -0.460 62.853 63.100 0.356 0.000 0.801 58 P CB 1.201 33.057 31.700 0.259 0.000 1.006 59 M N 1.433 121.112 119.600 0.131 0.000 2.386 59 M HA 0.422 4.902 4.480 -0.000 0.000 0.293 59 M C -1.675 174.469 176.300 -0.258 0.000 1.120 59 M CA -0.767 54.529 55.300 -0.007 0.000 0.909 59 M CB 1.436 33.963 32.600 -0.121 0.000 1.661 59 M HN 0.204 nan 8.290 nan 0.000 0.452 60 I N 7.820 128.093 120.570 -0.494 0.000 2.304 60 I HA 0.393 4.563 4.170 -0.000 0.000 0.291 60 I C -2.004 174.052 176.117 -0.100 0.000 1.018 60 I CA -1.577 59.496 61.300 -0.378 0.000 1.260 60 I CB 1.059 38.743 38.000 -0.527 0.000 1.390 60 I HN 0.540 nan 8.210 nan 0.000 0.475 61 P HA 0.286 nan 4.420 nan 0.000 0.289 61 P C -0.138 177.190 177.300 0.046 0.000 1.299 61 P CA -0.172 62.932 63.100 0.008 0.000 0.766 61 P CB 0.807 32.509 31.700 0.004 0.000 1.226 62 G N -0.078 108.764 108.800 0.071 0.000 2.662 62 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.558 62 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.558 62 G C 0.484 175.471 174.900 0.144 0.000 1.081 62 G CA -0.038 45.129 45.100 0.113 0.000 1.261 62 G HN 0.636 nan 8.290 nan 0.000 0.559 63 I N -2.445 118.185 120.570 0.099 0.000 2.830 63 I HA 0.211 4.381 4.170 -0.000 0.000 0.263 63 I C -0.189 175.957 176.117 0.049 0.000 1.230 63 I CA 0.553 61.894 61.300 0.068 0.000 1.480 63 I CB 0.001 38.018 38.000 0.029 0.000 1.095 63 I HN 0.142 nan 8.210 nan 0.000 0.455 64 D N 1.654 122.104 120.400 0.084 0.000 2.350 64 D HA 0.575 5.215 4.640 -0.000 0.000 0.245 64 D C -0.756 175.636 176.300 0.153 0.000 1.036 64 D CA -0.122 53.903 54.000 0.042 0.000 0.848 64 D CB 2.170 43.020 40.800 0.084 0.000 1.307 64 D HN 0.220 nan 8.370 nan 0.000 0.469 65 F N -0.687 119.300 119.950 0.061 0.000 2.662 65 F HA 0.872 5.399 4.527 -0.000 0.000 0.312 65 F C -1.720 174.103 175.800 0.037 0.000 1.113 65 F CA -1.339 56.699 58.000 0.063 0.000 0.951 65 F CB 1.215 40.242 39.000 0.046 0.000 1.344 65 F HN 0.370 nan 8.300 nan 0.000 0.462 66 A N 0.605 123.658 122.820 0.388 0.000 2.549 66 A HA 0.986 5.306 4.320 -0.000 0.000 0.297 66 A C -0.471 177.276 177.584 0.272 0.000 1.061 66 A CA -0.148 52.044 52.037 0.258 0.000 0.690 66 A CB 1.304 20.392 19.000 0.145 0.000 1.287 66 A HN 2.201 nan 8.150 nan 0.000 0.402 67 G N -0.538 108.360 108.800 0.164 0.000 2.512 67 G HA2 0.541 4.500 3.960 -0.000 0.000 0.186 67 G HA3 0.541 4.500 3.960 -0.000 0.000 0.186 67 G C -0.962 173.927 174.900 -0.019 0.000 1.189 67 G CA 0.281 45.373 45.100 -0.013 0.000 0.994 67 G HN 0.995 nan 8.290 nan 0.000 0.506 68 T N 0.590 115.021 114.554 -0.206 0.000 2.829 68 T HA 0.545 4.895 4.350 -0.000 0.000 0.280 68 T C -0.063 174.583 174.700 -0.089 0.000 0.999 68 T CA -0.217 61.852 62.100 -0.051 0.000 0.983 68 T CB 1.798 70.712 68.868 0.077 0.000 0.968 68 T HN 0.511 nan 8.240 nan 0.000 0.446 69 V N 4.799 124.676 119.914 -0.061 0.000 2.485 69 V HA 0.128 4.248 4.120 -0.000 0.000 0.287 69 V C 1.623 177.689 176.094 -0.047 0.000 1.022 69 V CA 0.264 62.522 62.300 -0.070 0.000 1.067 69 V CB 0.505 32.287 31.823 -0.069 0.000 0.967 69 V HN 0.779 nan 8.190 nan 0.000 0.479 70 R N 3.748 124.215 120.500 -0.055 0.000 2.048 70 R HA 0.063 4.403 4.340 -0.000 0.000 0.224 70 R C 0.315 176.605 176.300 -0.016 0.000 1.163 70 R CA 1.149 57.227 56.100 -0.035 0.000 0.956 70 R CB 0.286 30.555 30.300 -0.051 0.000 0.849 70 R HN 0.734 nan 8.270 nan 0.000 0.435 71 T N -0.736 113.804 114.554 -0.023 0.000 2.906 71 T HA 0.447 4.797 4.350 -0.000 0.000 0.295 71 T C -1.310 173.385 174.700 -0.008 0.000 1.061 71 T CA -0.730 61.366 62.100 -0.008 0.000 1.000 71 T CB 1.898 70.758 68.868 -0.013 0.000 1.103 71 T HN 0.131 nan 8.240 nan 0.000 0.486 72 S N -0.032 115.677 115.700 0.015 0.000 2.603 72 S HA 0.340 4.810 4.470 -0.000 0.000 0.274 72 S C -0.197 174.422 174.600 0.031 0.000 1.168 72 S CA -0.611 57.607 58.200 0.029 0.000 0.963 72 S CB 1.454 64.709 63.200 0.091 0.000 1.078 72 S HN 0.737 nan 8.310 nan 0.000 0.477 73 E N 1.605 121.812 120.200 0.013 0.000 2.452 73 E HA 0.104 4.454 4.350 -0.000 0.000 0.197 73 E C -0.251 176.362 176.600 0.022 0.000 1.022 73 E CA -0.077 56.328 56.400 0.009 0.000 0.890 73 E CB 0.297 29.989 29.700 -0.014 0.000 0.918 73 E HN 0.581 nan 8.360 nan 0.000 0.496 74 D N 1.173 121.603 120.400 0.051 0.000 2.358 74 D HA -0.003 4.637 4.640 -0.000 0.000 0.258 74 D C -1.651 174.705 176.300 0.094 0.000 1.223 74 D CA -1.948 52.105 54.000 0.089 0.000 0.886 74 D CB 1.242 42.158 40.800 0.195 0.000 1.120 74 D HN -0.131 nan 8.370 nan 0.000 0.482 75 P HA -0.172 nan 4.420 nan 0.000 0.216 75 P C 1.136 178.429 177.300 -0.012 0.000 1.150 75 P CA 1.212 64.320 63.100 0.012 0.000 0.843 75 P CB 0.033 31.726 31.700 -0.011 0.000 0.787 76 R N -1.701 118.747 120.500 -0.087 0.000 2.310 76 R HA 0.112 4.452 4.340 -0.000 0.000 0.202 76 R C -0.238 175.790 176.300 -0.454 0.000 0.933 76 R CA 0.337 56.279 56.100 -0.265 0.000 1.054 76 R CB -0.512 29.559 30.300 -0.381 0.000 0.985 76 R HN 0.144 nan 8.270 nan 0.000 0.489 77 F N 2.568 122.541 119.950 0.038 0.000 2.495 77 F HA 0.372 4.899 4.527 -0.000 0.000 0.327 77 F C 0.531 176.356 175.800 0.041 0.000 1.103 77 F CA -1.093 56.908 58.000 0.002 0.000 0.949 77 F CB 1.296 40.267 39.000 -0.049 0.000 1.142 77 F HN 0.039 nan 8.300 nan 0.000 0.457 78 H N 0.782 119.953 119.070 0.169 0.000 2.679 78 H HA 0.799 5.354 4.556 -0.000 0.000 0.367 78 H C -0.769 174.613 175.328 0.090 0.000 1.162 78 H CA -1.527 54.578 56.048 0.094 0.000 1.181 78 H CB 1.237 31.028 29.762 0.049 0.000 1.693 78 H HN 0.769 nan 8.280 nan 0.000 0.538 79 A N 0.628 123.526 122.820 0.129 0.000 2.567 79 A HA 0.378 4.698 4.320 -0.000 0.000 0.240 79 A C 1.576 179.211 177.584 0.085 0.000 1.053 79 A CA 1.144 53.223 52.037 0.069 0.000 0.755 79 A CB -1.084 17.961 19.000 0.075 0.000 0.978 79 A HN 1.622 nan 8.150 nan 0.000 0.507 80 G N 0.717 109.536 108.800 0.031 0.000 2.217 80 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.246 80 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.246 80 G C 0.443 175.352 174.900 0.014 0.000 0.990 80 G CA 0.493 45.626 45.100 0.056 0.000 0.627 80 G HN 1.187 nan 8.290 nan 0.000 0.522 81 Q N 1.866 121.577 119.800 -0.148 0.000 2.297 81 Q HA 0.377 4.717 4.340 -0.000 0.000 0.267 81 Q C 0.714 176.688 176.000 -0.043 0.000 1.006 81 Q CA -0.126 55.561 55.803 -0.195 0.000 0.896 81 Q CB 0.257 28.651 28.738 -0.574 0.000 1.186 81 Q HN 0.656 nan 8.270 nan 0.000 0.392 82 E N 2.757 122.970 120.200 0.022 0.000 2.360 82 E HA 0.293 4.643 4.350 -0.000 0.000 0.269 82 E C -0.405 176.214 176.600 0.032 0.000 1.022 82 E CA -0.435 55.995 56.400 0.049 0.000 0.887 82 E CB 0.970 30.717 29.700 0.079 0.000 0.990 82 E HN 0.371 nan 8.360 nan 0.000 0.426 83 V N 0.393 120.318 119.914 0.018 0.000 3.130 83 V HA 0.686 4.806 4.120 -0.000 0.000 0.310 83 V C -0.519 175.533 176.094 -0.070 0.000 1.158 83 V CA -1.190 61.098 62.300 -0.020 0.000 1.029 83 V CB 1.895 33.692 31.823 -0.045 0.000 1.057 83 V HN 0.737 nan 8.190 nan 0.000 0.436 84 L N 1.089 122.195 121.223 -0.193 0.000 2.303 84 L HA 0.919 5.259 4.340 -0.000 0.000 0.256 84 L C -1.424 175.201 176.870 -0.408 0.000 1.034 84 L CA -0.990 53.669 54.840 -0.302 0.000 0.832 84 L CB 1.846 43.646 42.059 -0.431 0.000 1.403 84 L HN 0.995 nan 8.230 nan 0.000 0.419 85 L N 1.308 122.183 121.223 -0.579 0.000 2.482 85 L HA 0.747 5.087 4.340 -0.000 0.000 0.263 85 L C -0.785 175.836 176.870 -0.415 0.000 0.957 85 L CA 0.246 54.749 54.840 -0.560 0.000 0.836 85 L CB 2.164 43.632 42.059 -0.984 0.000 1.324 85 L HN 1.097 nan 8.230 nan 0.000 0.406 86 T N 1.039 115.451 114.554 -0.236 0.000 2.906 86 T HA 0.883 5.233 4.350 -0.000 0.000 0.295 86 T C 0.263 174.831 174.700 -0.220 0.000 1.061 86 T CA 0.021 62.009 62.100 -0.186 0.000 1.000 86 T CB 1.771 70.555 68.868 -0.139 0.000 1.103 86 T HN 1.565 nan 8.240 nan 0.000 0.486 87 G N 1.497 110.180 108.800 -0.195 0.000 2.562 87 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.250 87 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.250 87 G C 0.065 174.792 174.900 -0.288 0.000 1.269 87 G CA 0.572 45.498 45.100 -0.290 0.000 0.919 87 G HN 1.769 nan 8.290 nan 0.000 0.574 88 W N -1.484 119.559 121.300 -0.429 0.000 2.869 88 W HA -0.039 4.621 4.660 -0.000 0.000 0.285 88 W C 2.025 178.123 176.519 -0.702 0.000 1.098 88 W CA 1.870 58.752 57.345 -0.772 0.000 0.571 88 W CB -1.710 26.815 29.460 -1.558 0.000 2.131 88 W HN 2.729 nan 8.180 nan 0.000 1.367 89 G N -1.790 106.874 108.800 -0.227 0.000 2.176 89 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 89 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 89 G C 0.127 174.997 174.900 -0.049 0.000 0.979 89 G CA -0.253 44.773 45.100 -0.123 0.000 0.641 89 G HN 0.610 nan 8.290 nan 0.000 0.530 90 V N 0.825 120.686 119.914 -0.088 0.000 2.673 90 V HA 0.420 4.540 4.120 -0.000 0.000 0.303 90 V C 2.003 178.169 176.094 0.120 0.000 1.046 90 V CA 1.644 63.998 62.300 0.091 0.000 1.126 90 V CB 0.751 32.642 31.823 0.114 0.000 0.934 90 V HN 2.011 nan 8.190 nan 0.000 0.487 91 G N 3.288 112.200 108.800 0.186 0.000 2.212 91 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.266 91 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.266 91 G C 0.507 175.444 174.900 0.062 0.000 0.978 91 G CA 0.731 45.902 45.100 0.120 0.000 0.632 91 G HN 0.734 nan 8.290 nan 0.000 0.537 92 E N -0.687 119.547 120.200 0.056 0.000 2.756 92 E HA 0.095 4.445 4.350 -0.000 0.000 0.192 92 E C 1.616 178.213 176.600 -0.005 0.000 1.022 92 E CA 0.532 56.933 56.400 0.002 0.000 1.224 92 E CB -0.009 29.684 29.700 -0.012 0.000 1.252 92 E HN 0.439 nan 8.360 nan 0.000 0.494 93 N N 0.004 118.732 118.700 0.047 0.000 2.200 93 N HA 0.050 4.790 4.740 -0.000 0.000 0.224 93 N C -0.703 174.901 175.510 0.156 0.000 1.179 93 N CA -0.068 53.016 53.050 0.057 0.000 0.877 93 N CB 0.220 38.729 38.487 0.037 0.000 1.072 93 N HN 0.109 nan 8.380 nan 0.000 0.519 94 H N -0.880 118.254 119.070 0.106 0.000 2.966 94 H HA 0.284 4.840 4.556 -0.000 0.000 0.347 94 H C -1.192 174.308 175.328 0.287 0.000 1.048 94 H CA -0.794 55.356 56.048 0.170 0.000 1.295 94 H CB 0.661 30.546 29.762 0.204 0.000 1.744 94 H HN -0.082 nan 8.280 nan 0.000 0.513 95 W N 4.192 125.451 121.300 -0.069 0.000 2.435 95 W HA 0.222 4.881 4.660 -0.000 0.000 0.337 95 W C 0.862 177.487 176.519 0.177 0.000 1.300 95 W CA 1.084 58.436 57.345 0.011 0.000 1.298 95 W CB 0.033 29.444 29.460 -0.081 0.000 1.217 95 W HN 0.771 nan 8.180 nan 0.000 0.565 96 G N 1.278 110.262 108.800 0.305 0.000 3.247 96 G HA2 0.462 4.421 3.960 -0.000 0.000 0.163 96 G HA3 0.462 4.421 3.960 -0.000 0.000 0.163 96 G C 0.871 175.865 174.900 0.156 0.000 1.206 96 G CA -0.082 45.197 45.100 0.298 0.000 0.918 96 G HN 0.556 nan 8.290 nan 0.000 0.625 97 G N -0.794 108.134 108.800 0.213 0.000 2.623 97 G HA2 0.161 4.121 3.960 -0.000 0.000 0.214 97 G HA3 0.161 4.121 3.960 -0.000 0.000 0.214 97 G C 0.556 175.472 174.900 0.026 0.000 1.138 97 G CA 0.118 45.311 45.100 0.156 0.000 0.794 97 G HN 0.244 nan 8.290 nan 0.000 0.535 98 L N 1.692 122.919 121.223 0.007 0.000 2.583 98 L HA 0.658 4.998 4.340 -0.000 0.000 0.239 98 L C 0.464 177.280 176.870 -0.090 0.000 1.347 98 L CA -0.690 54.131 54.840 -0.031 0.000 1.246 98 L CB -1.356 40.689 42.059 -0.023 0.000 1.496 98 L HN 0.206 nan 8.230 nan 0.000 0.413 99 A N 0.170 122.926 122.820 -0.107 0.000 2.597 99 A HA 0.497 4.817 4.320 -0.000 0.000 0.292 99 A C 0.728 178.227 177.584 -0.142 0.000 1.057 99 A CA -0.509 51.449 52.037 -0.132 0.000 0.674 99 A CB 0.902 19.815 19.000 -0.146 0.000 1.278 99 A HN 0.368 nan 8.150 nan 0.000 0.416 100 E N -0.026 120.099 120.200 -0.125 0.000 2.274 100 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 100 E C -0.022 176.484 176.600 -0.157 0.000 0.996 100 E CA 0.983 57.307 56.400 -0.127 0.000 0.840 100 E CB 0.132 29.777 29.700 -0.092 0.000 0.772 100 E HN 0.588 nan 8.360 nan 0.000 0.491 101 Q N -0.648 119.062 119.800 -0.150 0.000 2.359 101 Q HA 0.653 4.992 4.340 -0.000 0.000 0.274 101 Q C -1.448 174.446 176.000 -0.176 0.000 1.074 101 Q CA -0.715 54.989 55.803 -0.165 0.000 0.810 101 Q CB 2.586 31.270 28.738 -0.091 0.000 1.342 101 Q HN 0.013 nan 8.270 nan 0.000 0.427 102 A N 1.856 124.521 122.820 -0.259 0.000 2.393 102 A HA 0.730 5.050 4.320 -0.000 0.000 0.306 102 A C -1.281 176.269 177.584 -0.056 0.000 1.050 102 A CA -0.633 51.291 52.037 -0.188 0.000 0.724 102 A CB 1.571 20.243 19.000 -0.547 0.000 1.248 102 A HN 0.682 nan 8.150 nan 0.000 0.424 103 R N 1.397 121.948 120.500 0.085 0.000 2.343 103 R HA 0.651 4.991 4.340 -0.000 0.000 0.320 103 R C -0.906 175.539 176.300 0.241 0.000 0.956 103 R CA -0.299 55.853 56.100 0.087 0.000 0.836 103 R CB 1.243 31.560 30.300 0.029 0.000 1.151 103 R HN 0.928 nan 8.270 nan 0.000 0.450 104 V N -0.150 119.826 119.914 0.103 0.000 3.160 104 V HA 0.568 4.688 4.120 -0.000 0.000 0.310 104 V C -0.824 175.073 176.094 -0.328 0.000 1.181 104 V CA -1.355 60.945 62.300 0.000 0.000 1.047 104 V CB 1.996 33.946 31.823 0.212 0.000 1.068 104 V HN 0.637 nan 8.190 nan 0.000 0.441 105 K N 1.013 120.909 120.400 -0.840 0.000 2.326 105 K HA 0.413 4.732 4.320 -0.000 0.000 0.275 105 K C 1.333 177.565 176.600 -0.614 0.000 1.018 105 K CA 0.352 56.099 56.287 -0.900 0.000 0.962 105 K CB 1.217 32.784 32.500 -1.554 0.000 0.953 105 K HN 1.001 nan 8.250 nan 0.000 0.475 106 G N 2.447 111.019 108.800 -0.380 0.000 2.432 106 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 106 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 106 G C 0.778 175.623 174.900 -0.090 0.000 1.135 106 G CA 0.526 45.502 45.100 -0.207 0.000 0.767 106 G HN 0.650 nan 8.290 nan 0.000 0.550 107 D N 0.023 120.292 120.400 -0.218 0.000 2.265 107 D HA -0.093 4.547 4.640 -0.000 0.000 0.208 107 D C 1.722 177.910 176.300 -0.187 0.000 0.977 107 D CA 0.616 54.508 54.000 -0.180 0.000 0.871 107 D CB -0.106 40.519 40.800 -0.291 0.000 0.925 107 D HN 0.486 nan 8.370 nan 0.000 0.485 108 W N 0.812 121.785 121.300 -0.546 0.000 2.863 108 W HA 0.246 4.905 4.660 -0.000 0.000 0.258 108 W C 0.848 177.254 176.519 -0.188 0.000 1.298 108 W CA -0.392 56.505 57.345 -0.747 0.000 1.451 108 W CB -0.603 28.390 29.460 -0.777 0.000 1.107 108 W HN -0.100 nan 8.180 nan 0.000 0.641 109 L N 0.083 121.321 121.223 0.026 0.000 2.399 109 L HA 0.420 4.760 4.340 -0.000 0.000 0.265 109 L C 0.028 176.954 176.870 0.093 0.000 1.089 109 L CA -0.769 54.042 54.840 -0.047 0.000 0.802 109 L CB 1.029 42.871 42.059 -0.362 0.000 1.180 109 L HN -0.528 nan 8.230 nan 0.000 0.454 110 V N 1.398 121.315 119.914 0.005 0.000 2.487 110 V HA 0.459 4.579 4.120 -0.000 0.000 0.298 110 V C 0.269 176.382 176.094 0.032 0.000 1.028 110 V CA -0.949 61.365 62.300 0.023 0.000 0.860 110 V CB 1.560 33.281 31.823 -0.171 0.000 0.991 110 V HN 0.863 nan 8.190 nan 0.000 0.427 111 A N 5.314 128.223 122.820 0.149 0.000 2.546 111 A HA 0.346 4.665 4.320 -0.000 0.000 0.243 111 A C 0.260 177.846 177.584 0.004 0.000 1.063 111 A CA -0.099 52.011 52.037 0.121 0.000 0.757 111 A CB -0.226 18.825 19.000 0.085 0.000 0.991 111 A HN 0.954 nan 8.150 nan 0.000 0.503 112 M N 4.802 124.396 119.600 -0.010 0.000 2.408 112 M HA 0.176 4.656 4.480 -0.000 0.000 0.363 112 M C -2.094 174.197 176.300 -0.016 0.000 1.636 112 M CA -1.333 53.935 55.300 -0.054 0.000 1.029 112 M CB -0.325 32.266 32.600 -0.015 0.000 2.068 112 M HN 0.382 nan 8.290 nan 0.000 0.466 113 P HA 0.064 nan 4.420 nan 0.000 0.271 113 P C -1.134 176.196 177.300 0.050 0.000 1.218 113 P CA -0.157 62.972 63.100 0.049 0.000 0.780 113 P CB 0.349 32.119 31.700 0.117 0.000 0.901 114 Q N 1.010 120.843 119.800 0.055 0.000 2.286 114 Q HA 0.281 4.621 4.340 -0.000 0.000 0.290 114 Q C 1.202 177.230 176.000 0.046 0.000 1.049 114 Q CA 1.128 56.957 55.803 0.044 0.000 0.923 114 Q CB -0.107 28.657 28.738 0.042 0.000 1.183 114 Q HN 0.887 nan 8.270 nan 0.000 0.383 115 G N 2.060 110.874 108.800 0.024 0.000 2.194 115 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.236 115 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.236 115 G C -0.097 174.792 174.900 -0.019 0.000 0.987 115 G CA -0.447 44.655 45.100 0.004 0.000 0.635 115 G HN 0.462 nan 8.290 nan 0.000 0.520 116 L N 1.157 122.387 121.223 0.012 0.000 2.333 116 L HA 0.688 5.027 4.340 -0.000 0.000 0.269 116 L C -0.159 176.709 176.870 -0.004 0.000 1.010 116 L CA -0.721 54.126 54.840 0.010 0.000 0.818 116 L CB 1.799 43.906 42.059 0.080 0.000 1.306 116 L HN 0.404 nan 8.230 nan 0.000 0.430 117 D N 0.364 120.757 120.400 -0.011 0.000 2.585 117 D HA 0.462 5.102 4.640 -0.000 0.000 0.254 117 D C 0.537 176.846 176.300 0.014 0.000 1.067 117 D CA -0.270 53.735 54.000 0.008 0.000 1.090 117 D CB 1.241 42.045 40.800 0.007 0.000 1.408 117 D HN 0.441 nan 8.370 nan 0.000 0.554 118 A N -0.084 122.782 122.820 0.075 0.000 1.892 118 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 118 A C 2.162 179.721 177.584 -0.040 0.000 1.188 118 A CA 2.210 54.329 52.037 0.138 0.000 0.631 118 A CB -0.844 18.403 19.000 0.411 0.000 0.822 118 A HN 0.604 nan 8.150 nan 0.000 0.447 119 R N -0.240 120.061 120.500 -0.332 0.000 2.070 119 R HA -0.132 4.208 4.340 -0.000 0.000 0.233 119 R C 2.212 178.321 176.300 -0.318 0.000 1.137 119 R CA 1.871 57.492 56.100 -0.800 0.000 0.945 119 R CB -0.252 29.460 30.300 -0.979 0.000 0.845 119 R HN 0.536 nan 8.270 nan 0.000 0.430 120 K N -0.178 120.153 120.400 -0.116 0.000 2.063 120 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 120 K C 2.077 178.804 176.600 0.211 0.000 1.048 120 K CA 1.425 57.782 56.287 0.115 0.000 0.928 120 K CB -0.166 32.406 32.500 0.119 0.000 0.713 120 K HN 0.233 nan 8.250 nan 0.000 0.442 121 A N 1.114 124.012 122.820 0.130 0.000 1.933 121 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 121 A C 2.065 179.774 177.584 0.207 0.000 1.175 121 A CA 1.391 53.527 52.037 0.166 0.000 0.628 121 A CB -0.283 18.671 19.000 -0.077 0.000 0.814 121 A HN 0.136 nan 8.150 nan 0.000 0.444 122 M N -0.795 118.869 119.600 0.106 0.000 2.349 122 M HA 0.109 4.589 4.480 -0.000 0.000 0.266 122 M C 2.026 178.389 176.300 0.106 0.000 1.076 122 M CA 0.794 56.166 55.300 0.120 0.000 1.126 122 M CB -1.069 31.599 32.600 0.113 0.000 1.392 122 M HN 0.402 nan 8.290 nan 0.000 0.440 123 I N 0.311 120.920 120.570 0.065 0.000 2.179 123 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 123 I C 2.276 178.478 176.117 0.142 0.000 1.088 123 I CA 1.269 62.594 61.300 0.042 0.000 1.357 123 I CB -0.285 37.712 38.000 -0.006 0.000 1.051 123 I HN 0.162 nan 8.210 nan 0.000 0.409 124 I N 0.105 120.842 120.570 0.279 0.000 2.090 124 I HA -0.133 4.036 4.170 -0.000 0.000 0.236 124 I C 1.499 177.766 176.117 0.250 0.000 1.064 124 I CA 1.249 62.750 61.300 0.336 0.000 1.324 124 I CB -1.053 37.180 38.000 0.388 0.000 1.044 124 I HN 0.465 nan 8.210 nan 0.000 0.399 125 G N -0.049 108.938 108.800 0.312 0.000 2.750 125 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.228 125 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.228 125 G C 0.501 175.529 174.900 0.214 0.000 1.367 125 G CA -0.048 45.202 45.100 0.250 0.000 0.871 125 G HN 0.188 nan 8.290 nan 0.000 0.560 126 T N 0.989 115.641 114.554 0.163 0.000 2.665 126 T HA -0.053 4.296 4.350 -0.000 0.000 0.268 126 T C 2.925 177.695 174.700 0.117 0.000 1.035 126 T CA 3.396 65.583 62.100 0.145 0.000 1.151 126 T CB -0.722 68.201 68.868 0.092 0.000 0.862 126 T HN 1.635 nan 8.240 nan 0.000 0.438 127 A N 1.161 124.031 122.820 0.084 0.000 1.873 127 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 127 A C 2.621 180.202 177.584 -0.004 0.000 1.193 127 A CA 2.154 54.215 52.037 0.040 0.000 0.629 127 A CB -1.401 17.634 19.000 0.059 0.000 0.826 127 A HN 0.541 nan 8.150 nan 0.000 0.447 128 G N -1.658 107.150 108.800 0.012 0.000 2.402 128 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 128 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 128 G C 1.460 176.235 174.900 -0.209 0.000 1.162 128 G CA 1.071 46.117 45.100 -0.090 0.000 0.777 128 G HN 0.490 nan 8.290 nan 0.000 0.539 129 F N 2.282 121.997 119.950 -0.392 0.000 2.126 129 F HA -0.105 4.422 4.527 -0.000 0.000 0.299 129 F C 2.766 178.365 175.800 -0.335 0.000 1.096 129 F CA 2.140 59.817 58.000 -0.538 0.000 1.255 129 F CB -0.553 38.154 39.000 -0.489 0.000 0.997 129 F HN 0.106 nan 8.300 nan 0.000 0.479 130 T N 0.652 115.051 114.554 -0.259 0.000 2.737 130 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 130 T C 2.254 176.770 174.700 -0.306 0.000 1.038 130 T CA 1.385 63.304 62.100 -0.303 0.000 1.144 130 T CB -0.878 67.912 68.868 -0.131 0.000 0.866 130 T HN 0.373 nan 8.240 nan 0.000 0.434 131 A N 1.384 124.057 122.820 -0.244 0.000 1.892 131 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 131 A C 2.268 179.682 177.584 -0.283 0.000 1.188 131 A CA 2.116 54.011 52.037 -0.237 0.000 0.631 131 A CB -0.733 18.142 19.000 -0.209 0.000 0.822 131 A HN 0.426 nan 8.150 nan 0.000 0.447 132 M N -0.379 119.016 119.600 -0.340 0.000 2.117 132 M HA -0.029 4.451 4.480 -0.000 0.000 0.262 132 M C 1.858 177.952 176.300 -0.343 0.000 1.065 132 M CA 1.506 56.605 55.300 -0.335 0.000 1.114 132 M CB -0.562 31.817 32.600 -0.369 0.000 1.361 132 M HN 0.370 nan 8.290 nan 0.000 0.408 133 L N -1.261 119.689 121.223 -0.455 0.000 2.131 133 L HA -0.276 4.063 4.340 -0.000 0.000 0.210 133 L C 2.410 179.115 176.870 -0.274 0.000 1.092 133 L CA 0.966 55.565 54.840 -0.400 0.000 0.759 133 L CB -0.794 40.950 42.059 -0.524 0.000 0.903 133 L HN 0.424 nan 8.230 nan 0.000 0.435 134 C N -1.295 117.849 119.300 -0.260 0.000 2.446 134 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 134 C C 2.798 177.667 174.990 -0.202 0.000 1.275 134 C CA 0.356 59.249 59.018 -0.208 0.000 1.727 134 C CB -0.470 27.149 27.740 -0.202 0.000 2.010 134 C HN 0.338 nan 8.230 nan 0.000 0.486 135 V N 0.777 120.559 119.914 -0.219 0.000 2.343 135 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 135 V C 2.341 178.339 176.094 -0.161 0.000 1.051 135 V CA 2.084 64.255 62.300 -0.214 0.000 1.036 135 V CB -0.547 31.151 31.823 -0.208 0.000 0.654 135 V HN 0.546 nan 8.190 nan 0.000 0.451 136 M N -0.254 119.255 119.600 -0.153 0.000 2.213 136 M HA -0.132 4.347 4.480 -0.000 0.000 0.263 136 M C 2.292 178.537 176.300 -0.093 0.000 1.062 136 M CA 1.946 57.180 55.300 -0.111 0.000 1.105 136 M CB -0.525 32.000 32.600 -0.125 0.000 1.385 136 M HN 0.391 nan 8.290 nan 0.000 0.417 137 A N 0.536 123.288 122.820 -0.113 0.000 1.902 137 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 137 A C 2.091 179.633 177.584 -0.071 0.000 1.181 137 A CA 1.340 53.325 52.037 -0.088 0.000 0.623 137 A CB -0.907 18.033 19.000 -0.100 0.000 0.818 137 A HN 0.452 nan 8.150 nan 0.000 0.443 138 L N -0.691 120.476 121.223 -0.094 0.000 2.012 138 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 138 L C 2.592 179.448 176.870 -0.024 0.000 1.073 138 L CA 1.872 56.665 54.840 -0.079 0.000 0.748 138 L CB -0.796 41.168 42.059 -0.159 0.000 0.891 138 L HN 0.486 nan 8.230 nan 0.000 0.431 139 E N 0.031 120.221 120.200 -0.017 0.000 2.110 139 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 139 E C 1.678 178.285 176.600 0.012 0.000 0.988 139 E CA 1.223 57.637 56.400 0.023 0.000 0.804 139 E CB -0.084 29.628 29.700 0.020 0.000 0.745 139 E HN 0.465 nan 8.360 nan 0.000 0.458 140 D N 0.273 120.669 120.400 -0.008 0.000 2.264 140 D HA -0.080 4.560 4.640 -0.000 0.000 0.208 140 D C 1.444 177.746 176.300 0.003 0.000 0.966 140 D CA 0.888 54.885 54.000 -0.005 0.000 0.864 140 D CB 0.002 40.792 40.800 -0.016 0.000 0.933 140 D HN 0.151 nan 8.370 nan 0.000 0.499 141 A N -0.404 122.418 122.820 0.003 0.000 2.251 141 A HA 0.442 4.762 4.320 -0.000 0.000 0.209 141 A C 1.723 179.323 177.584 0.025 0.000 1.187 141 A CA 0.859 52.903 52.037 0.011 0.000 0.823 141 A CB -0.079 18.924 19.000 0.005 0.000 0.846 141 A HN 0.204 nan 8.150 nan 0.000 0.486 142 G N -1.290 107.529 108.800 0.032 0.000 2.143 142 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.249 142 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.249 142 G C 0.154 175.092 174.900 0.064 0.000 0.981 142 G CA 0.130 45.255 45.100 0.043 0.000 0.665 142 G HN 0.799 nan 8.290 nan 0.000 0.528 143 V N 1.543 121.505 119.914 0.080 0.000 2.415 143 V HA 0.459 4.579 4.120 -0.000 0.000 0.267 143 V C 0.984 177.221 176.094 0.239 0.000 1.042 143 V CA 0.153 62.533 62.300 0.132 0.000 1.000 143 V CB 0.370 32.254 31.823 0.102 0.000 1.015 143 V HN 0.488 nan 8.190 nan 0.000 0.478 144 R N 5.087 125.689 120.500 0.170 0.000 2.828 144 R HA 0.457 4.797 4.340 -0.000 0.000 0.264 144 R C -1.933 174.295 176.300 -0.121 0.000 1.022 144 R CA -1.954 54.162 56.100 0.028 0.000 1.021 144 R CB 0.487 30.765 30.300 -0.037 0.000 1.163 144 R HN 0.228 nan 8.270 nan 0.000 0.494 145 P HA -0.243 nan 4.420 nan 0.000 0.217 145 P C 0.747 177.955 177.300 -0.153 0.000 1.148 145 P CA 1.298 64.093 63.100 -0.508 0.000 0.828 145 P CB 0.181 31.544 31.700 -0.562 0.000 0.783 146 Q N -1.220 118.514 119.800 -0.110 0.000 2.472 146 Q HA -0.084 4.255 4.340 -0.000 0.000 0.208 146 Q C 0.708 176.707 176.000 -0.001 0.000 0.958 146 Q CA 1.071 56.847 55.803 -0.046 0.000 0.932 146 Q CB -0.670 28.041 28.738 -0.045 0.000 1.007 146 Q HN 0.284 nan 8.270 nan 0.000 0.508 147 D N 1.083 121.498 120.400 0.025 0.000 2.249 147 D HA 0.152 4.792 4.640 -0.000 0.000 0.205 147 D C 0.975 177.321 176.300 0.078 0.000 0.962 147 D CA 1.395 55.429 54.000 0.057 0.000 0.860 147 D CB 0.700 41.549 40.800 0.082 0.000 0.955 147 D HN 0.449 nan 8.370 nan 0.000 0.505 148 G N 0.066 108.925 108.800 0.099 0.000 2.340 148 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.282 148 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.282 148 G C -1.366 173.642 174.900 0.179 0.000 1.312 148 G CA -0.944 44.227 45.100 0.119 0.000 0.942 148 G HN -0.014 nan 8.290 nan 0.000 0.495 149 E N -0.037 120.296 120.200 0.221 0.000 2.373 149 E HA 0.363 4.713 4.350 -0.000 0.000 0.267 149 E C -0.146 176.631 176.600 0.295 0.000 1.032 149 E CA -0.207 56.365 56.400 0.287 0.000 0.889 149 E CB 1.069 31.014 29.700 0.408 0.000 0.984 149 E HN 0.277 nan 8.360 nan 0.000 0.425 150 I N 3.086 123.741 120.570 0.141 0.000 2.339 150 I HA 0.163 4.333 4.170 -0.000 0.000 0.290 150 I C 0.075 176.046 176.117 -0.243 0.000 0.994 150 I CA -0.610 60.666 61.300 -0.039 0.000 1.191 150 I CB 1.086 39.013 38.000 -0.121 0.000 1.343 150 I HN 0.235 nan 8.210 nan 0.000 0.458 151 V N 8.211 127.796 119.914 -0.548 0.000 2.465 151 V HA 0.420 4.540 4.120 -0.000 0.000 0.279 151 V C -0.226 175.547 176.094 -0.536 0.000 1.045 151 V CA -0.291 61.519 62.300 -0.817 0.000 0.938 151 V CB 1.830 32.638 31.823 -1.692 0.000 0.986 151 V HN 0.453 nan 8.190 nan 0.000 0.467 152 V N 6.649 126.305 119.914 -0.430 0.000 2.384 152 V HA 0.467 4.587 4.120 -0.000 0.000 0.287 152 V C 0.437 176.320 176.094 -0.351 0.000 1.020 152 V CA -0.246 61.853 62.300 -0.336 0.000 0.850 152 V CB 1.781 33.451 31.823 -0.255 0.000 0.987 152 V HN 1.033 nan 8.190 nan 0.000 0.436 153 T N 0.811 115.165 114.554 -0.334 0.000 2.902 153 T HA 0.575 4.925 4.350 -0.000 0.000 0.280 153 T C 1.051 175.618 174.700 -0.221 0.000 0.992 153 T CA 0.180 62.084 62.100 -0.327 0.000 1.015 153 T CB 1.444 70.112 68.868 -0.333 0.000 1.044 153 T HN 1.798 nan 8.240 nan 0.000 0.520 154 G N 0.254 108.939 108.800 -0.192 0.000 2.390 154 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.299 154 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.299 154 G C 0.919 175.747 174.900 -0.120 0.000 1.002 154 G CA 0.247 45.265 45.100 -0.136 0.000 0.979 154 G HN 1.499 nan 8.290 nan 0.000 0.513 155 A N -0.194 122.548 122.820 -0.131 0.000 2.172 155 A HA 0.281 4.601 4.320 -0.000 0.000 0.216 155 A C 2.488 180.046 177.584 -0.044 0.000 1.154 155 A CA 2.089 54.058 52.037 -0.112 0.000 0.701 155 A CB -0.275 18.636 19.000 -0.148 0.000 0.789 155 A HN 1.664 nan 8.150 nan 0.000 0.465 156 S N -0.874 114.814 115.700 -0.019 0.000 2.524 156 S HA 0.317 4.787 4.470 -0.000 0.000 0.216 156 S C 1.179 175.791 174.600 0.020 0.000 0.987 156 S CA 0.290 58.521 58.200 0.051 0.000 0.909 156 S CB -0.463 62.758 63.200 0.035 0.000 0.781 156 S HN 0.600 nan 8.310 nan 0.000 0.521 157 G N 0.513 109.295 108.800 -0.030 0.000 2.653 157 G HA2 0.453 4.413 3.960 -0.000 0.000 0.265 157 G HA3 0.453 4.413 3.960 -0.000 0.000 0.265 157 G C 1.016 175.912 174.900 -0.007 0.000 1.237 157 G CA -0.341 44.731 45.100 -0.047 0.000 0.946 157 G HN 0.315 nan 8.290 nan 0.000 0.522 158 G N -1.066 107.731 108.800 -0.004 0.000 2.480 158 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 158 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 158 G C 1.731 176.644 174.900 0.023 0.000 1.200 158 G CA 1.561 46.680 45.100 0.032 0.000 0.782 158 G HN 0.489 nan 8.290 nan 0.000 0.554 159 V N 1.629 121.534 119.914 -0.015 0.000 2.255 159 V HA -0.094 4.026 4.120 -0.000 0.000 0.247 159 V C 3.176 179.226 176.094 -0.074 0.000 1.051 159 V CA 2.196 64.465 62.300 -0.051 0.000 1.018 159 V CB -1.262 30.519 31.823 -0.070 0.000 0.641 159 V HN 0.466 nan 8.190 nan 0.000 0.445 160 G N -0.606 108.149 108.800 -0.076 0.000 2.446 160 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 160 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 160 G C 1.843 176.693 174.900 -0.083 0.000 1.168 160 G CA 1.221 46.261 45.100 -0.099 0.000 0.771 160 G HN 0.508 nan 8.290 nan 0.000 0.551 161 S N 0.347 116.032 115.700 -0.026 0.000 2.359 161 S HA -0.144 4.326 4.470 -0.000 0.000 0.224 161 S C 2.545 177.143 174.600 -0.003 0.000 1.035 161 S CA 1.862 60.067 58.200 0.009 0.000 1.018 161 S CB -0.536 62.743 63.200 0.131 0.000 0.876 161 S HN 0.478 nan 8.310 nan 0.000 0.448 162 T N 2.196 116.755 114.554 0.008 0.000 2.821 162 T HA 0.048 4.398 4.350 -0.000 0.000 0.267 162 T C 2.142 176.732 174.700 -0.183 0.000 1.046 162 T CA 1.069 63.112 62.100 -0.096 0.000 1.139 162 T CB -0.459 68.339 68.868 -0.117 0.000 0.871 162 T HN 0.452 nan 8.240 nan 0.000 0.454 163 A N 1.106 123.831 122.820 -0.157 0.000 1.933 163 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 163 A C 2.567 180.054 177.584 -0.162 0.000 1.175 163 A CA 1.207 53.136 52.037 -0.180 0.000 0.628 163 A CB -1.014 17.875 19.000 -0.184 0.000 0.814 163 A HN 0.350 nan 8.150 nan 0.000 0.444 164 V N -0.206 119.623 119.914 -0.141 0.000 2.295 164 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 164 V C 3.066 179.111 176.094 -0.082 0.000 1.049 164 V CA 2.035 64.261 62.300 -0.124 0.000 1.024 164 V CB -1.209 30.525 31.823 -0.148 0.000 0.648 164 V HN 0.620 nan 8.190 nan 0.000 0.447 165 A N -0.463 122.297 122.820 -0.099 0.000 1.902 165 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 165 A C 2.223 179.771 177.584 -0.060 0.000 1.181 165 A CA 1.723 53.721 52.037 -0.064 0.000 0.623 165 A CB -0.531 18.415 19.000 -0.091 0.000 0.818 165 A HN 0.488 nan 8.150 nan 0.000 0.443 166 L N -0.672 120.465 121.223 -0.143 0.000 1.989 166 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 166 L C 2.640 179.479 176.870 -0.051 0.000 1.071 166 L CA 1.323 56.084 54.840 -0.133 0.000 0.749 166 L CB -0.570 41.374 42.059 -0.190 0.000 0.890 166 L HN 0.384 nan 8.230 nan 0.000 0.431 167 L N -1.225 119.962 121.223 -0.059 0.000 2.017 167 L HA -0.281 4.058 4.340 -0.000 0.000 0.208 167 L C 2.772 179.734 176.870 0.154 0.000 1.073 167 L CA 1.389 56.230 54.840 0.002 0.000 0.745 167 L CB -0.920 41.059 42.059 -0.134 0.000 0.894 167 L HN 0.412 nan 8.230 nan 0.000 0.432 168 H N 0.740 119.817 119.070 0.012 0.000 2.319 168 H HA -0.216 4.340 4.556 0.000 0.000 0.299 168 H C 2.283 177.622 175.328 0.018 0.000 1.092 168 H CA 1.793 57.851 56.048 0.017 0.000 1.302 168 H CB 0.178 29.925 29.762 -0.026 0.000 1.373 168 H HN 0.141 nan 8.280 nan 0.000 0.497 169 K N 1.185 121.563 120.400 -0.036 0.000 2.063 169 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 169 K C 2.291 178.839 176.600 -0.087 0.000 1.048 169 K CA 1.090 57.324 56.287 -0.088 0.000 0.928 169 K CB -0.360 32.130 32.500 -0.016 0.000 0.713 169 K HN 0.377 nan 8.250 nan 0.000 0.442 170 L N -0.476 120.745 121.223 -0.003 0.000 2.610 170 L HA 0.027 4.367 4.340 -0.000 0.000 0.232 170 L C 1.301 178.129 176.870 -0.070 0.000 1.149 170 L CA 0.674 55.530 54.840 0.027 0.000 0.872 170 L CB 0.025 42.192 42.059 0.179 0.000 0.992 170 L HN 0.552 nan 8.230 nan 0.000 0.447 171 G N -2.027 106.711 108.800 -0.104 0.000 2.184 171 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.206 171 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.206 171 G C 0.010 174.807 174.900 -0.172 0.000 0.995 171 G CA -0.625 44.364 45.100 -0.186 0.000 0.651 171 G HN 0.179 nan 8.290 nan 0.000 0.511 172 Y N 0.727 120.991 120.300 -0.060 0.000 2.326 172 Y HA 0.501 5.052 4.550 0.000 0.000 0.333 172 Y C 0.994 176.896 175.900 0.004 0.000 1.240 172 Y CA 0.196 58.282 58.100 -0.023 0.000 1.365 172 Y CB 0.703 39.149 38.460 -0.024 0.000 1.289 172 Y HN 0.227 nan 8.280 nan 0.000 0.548 173 Q N 2.094 122.003 119.800 0.182 0.000 2.322 173 Q HA 0.487 4.827 4.340 -0.000 0.000 0.256 173 Q C -1.668 174.410 176.000 0.131 0.000 0.960 173 Q CA -0.460 55.425 55.803 0.138 0.000 0.934 173 Q CB 0.557 29.363 28.738 0.113 0.000 1.200 173 Q HN 0.547 nan 8.270 nan 0.000 0.435 174 V N 4.455 124.423 119.914 0.090 0.000 2.483 174 V HA 0.447 4.567 4.120 -0.000 0.000 0.295 174 V C -0.426 175.659 176.094 -0.015 0.000 1.035 174 V CA -0.852 61.456 62.300 0.014 0.000 0.896 174 V CB 1.771 33.583 31.823 -0.018 0.000 0.986 174 V HN 0.568 nan 8.190 nan 0.000 0.447 175 V N 3.788 123.657 119.914 -0.076 0.000 2.378 175 V HA 0.681 4.801 4.120 -0.000 0.000 0.288 175 V C 0.456 176.426 176.094 -0.205 0.000 1.016 175 V CA -0.545 61.700 62.300 -0.091 0.000 0.840 175 V CB 1.488 33.299 31.823 -0.020 0.000 0.994 175 V HN 1.014 nan 8.190 nan 0.000 0.431 176 A N 5.063 127.777 122.820 -0.177 0.000 2.328 176 A HA 0.727 5.047 4.320 -0.000 0.000 0.284 176 A C -0.375 177.083 177.584 -0.211 0.000 1.160 176 A CA -0.351 51.560 52.037 -0.210 0.000 0.818 176 A CB 0.879 19.766 19.000 -0.188 0.000 1.087 176 A HN 0.668 nan 8.150 nan 0.000 0.504 177 V N 2.704 122.453 119.914 -0.275 0.000 2.347 177 V HA 0.549 4.669 4.120 -0.000 0.000 0.280 177 V C 0.331 176.305 176.094 -0.200 0.000 1.021 177 V CA -0.149 61.980 62.300 -0.285 0.000 0.847 177 V CB 1.115 32.576 31.823 -0.605 0.000 0.990 177 V HN 0.925 nan 8.190 nan 0.000 0.444 178 S N 3.240 118.875 115.700 -0.109 0.000 2.521 178 S HA 0.630 5.099 4.470 -0.000 0.000 0.295 178 S C 1.093 175.682 174.600 -0.018 0.000 1.098 178 S CA 0.140 58.300 58.200 -0.066 0.000 0.999 178 S CB 1.915 65.090 63.200 -0.041 0.000 1.034 178 S HN 0.868 nan 8.310 nan 0.000 0.483 179 G N 3.148 111.937 108.800 -0.020 0.000 2.464 179 G HA2 0.072 4.032 3.960 -0.000 0.000 0.217 179 G HA3 0.072 4.032 3.960 -0.000 0.000 0.217 179 G C 0.341 175.251 174.900 0.017 0.000 1.138 179 G CA 0.056 45.160 45.100 0.005 0.000 0.793 179 G HN 0.680 nan 8.290 nan 0.000 0.539 180 R N 1.000 121.507 120.500 0.012 0.000 2.207 180 R HA 0.236 4.576 4.340 -0.000 0.000 0.334 180 R C 1.011 177.339 176.300 0.047 0.000 1.013 180 R CA -0.055 56.057 56.100 0.020 0.000 0.858 180 R CB 1.065 31.367 30.300 0.003 0.000 1.094 180 R HN 0.532 nan 8.270 nan 0.000 0.457 181 E N 1.429 121.662 120.200 0.055 0.000 2.333 181 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 181 E C 0.868 177.517 176.600 0.082 0.000 1.007 181 E CA 1.468 57.916 56.400 0.080 0.000 0.845 181 E CB 0.069 29.798 29.700 0.048 0.000 0.766 181 E HN 0.554 nan 8.360 nan 0.000 0.507 182 S N 0.600 116.331 115.700 0.052 0.000 2.555 182 S HA -0.077 4.392 4.470 -0.000 0.000 0.230 182 S C 1.867 176.503 174.600 0.059 0.000 0.978 182 S CA 0.919 59.144 58.200 0.041 0.000 0.934 182 S CB -0.298 62.908 63.200 0.011 0.000 0.766 182 S HN 0.460 nan 8.310 nan 0.000 0.533 183 T N -2.759 111.846 114.554 0.084 0.000 3.054 183 T HA 0.210 4.560 4.350 -0.000 0.000 0.255 183 T C 1.442 176.234 174.700 0.154 0.000 1.035 183 T CA -0.127 62.044 62.100 0.119 0.000 0.941 183 T CB -0.588 68.342 68.868 0.103 0.000 1.026 183 T HN 0.429 nan 8.240 nan 0.000 0.533 184 H N 2.114 121.216 119.070 0.053 0.000 2.321 184 H HA -0.117 4.439 4.556 -0.000 0.000 0.295 184 H C 1.901 177.250 175.328 0.036 0.000 1.102 184 H CA 2.362 58.431 56.048 0.037 0.000 1.266 184 H CB 0.192 29.971 29.762 0.027 0.000 1.363 184 H HN 0.472 nan 8.280 nan 0.000 0.492 185 E N -0.213 120.110 120.200 0.205 0.000 2.046 185 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 185 E C 2.207 178.866 176.600 0.099 0.000 0.982 185 E CA 0.668 57.151 56.400 0.139 0.000 0.800 185 E CB -0.874 28.896 29.700 0.118 0.000 0.756 185 E HN 0.556 nan 8.360 nan 0.000 0.449 186 Y N 1.992 122.292 120.300 0.001 0.000 2.151 186 Y HA -0.207 4.343 4.550 0.000 0.000 0.284 186 Y C 2.152 178.025 175.900 -0.046 0.000 1.166 186 Y CA 1.402 59.489 58.100 -0.021 0.000 1.163 186 Y CB -0.420 38.028 38.460 -0.021 0.000 0.974 186 Y HN -0.073 nan 8.280 nan 0.000 0.511 187 L N 0.024 121.138 121.223 -0.181 0.000 2.093 187 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 187 L C 2.549 179.257 176.870 -0.270 0.000 1.085 187 L CA 1.770 56.434 54.840 -0.294 0.000 0.755 187 L CB -0.512 41.440 42.059 -0.178 0.000 0.904 187 L HN 0.118 nan 8.230 nan 0.000 0.435 188 K N 0.055 120.344 120.400 -0.185 0.000 2.148 188 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 188 K C 2.182 178.674 176.600 -0.180 0.000 1.050 188 K CA 1.329 57.525 56.287 -0.152 0.000 0.942 188 K CB 0.106 32.566 32.500 -0.066 0.000 0.724 188 K HN 0.216 nan 8.250 nan 0.000 0.446 189 S N 1.044 116.637 115.700 -0.178 0.000 2.382 189 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 189 S C 1.791 176.241 174.600 -0.250 0.000 1.027 189 S CA 1.093 59.189 58.200 -0.173 0.000 0.991 189 S CB -0.304 62.822 63.200 -0.123 0.000 0.823 189 S HN 0.255 nan 8.310 nan 0.000 0.469 190 L N 0.441 121.456 121.223 -0.346 0.000 2.217 190 L HA 0.156 4.496 4.340 -0.000 0.000 0.211 190 L C 1.946 178.583 176.870 -0.389 0.000 1.107 190 L CA 0.938 55.580 54.840 -0.330 0.000 0.783 190 L CB -0.394 41.438 42.059 -0.380 0.000 0.919 190 L HN 0.613 nan 8.230 nan 0.000 0.442 191 G N -1.165 107.360 108.800 -0.459 0.000 2.507 191 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.205 191 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.205 191 G C 0.169 174.899 174.900 -0.283 0.000 0.996 191 G CA -0.223 44.449 45.100 -0.713 0.000 0.776 191 G HN 0.317 nan 8.290 nan 0.000 0.532 192 A N 0.740 123.437 122.820 -0.206 0.000 2.409 192 A HA 0.711 5.031 4.320 -0.000 0.000 0.262 192 A C 1.456 178.992 177.584 -0.080 0.000 1.113 192 A CA 0.992 52.955 52.037 -0.124 0.000 0.790 192 A CB 0.601 19.507 19.000 -0.157 0.000 1.046 192 A HN 0.739 nan 8.150 nan 0.000 0.496 193 S N 1.696 117.385 115.700 -0.018 0.000 2.414 193 S HA 0.024 4.494 4.470 -0.000 0.000 0.227 193 S C 0.794 175.403 174.600 0.015 0.000 1.022 193 S CA 1.075 59.283 58.200 0.014 0.000 0.958 193 S CB -0.118 63.112 63.200 0.051 0.000 0.797 193 S HN 0.848 nan 8.310 nan 0.000 0.493 194 R N -0.341 120.161 120.500 0.004 0.000 2.739 194 R HA 0.708 5.047 4.340 -0.000 0.000 0.271 194 R C -2.031 174.233 176.300 -0.060 0.000 1.010 194 R CA -0.873 55.233 56.100 0.010 0.000 0.897 194 R CB 1.513 31.860 30.300 0.079 0.000 1.236 194 R HN -0.093 nan 8.270 nan 0.000 0.466 195 V N 2.659 122.507 119.914 -0.109 0.000 2.483 195 V HA 0.419 4.539 4.120 -0.000 0.000 0.297 195 V C -0.377 175.725 176.094 0.014 0.000 1.027 195 V CA -0.756 61.421 62.300 -0.205 0.000 0.855 195 V CB 1.593 32.989 31.823 -0.711 0.000 0.995 195 V HN 0.506 nan 8.190 nan 0.000 0.424 196 L N 6.581 127.846 121.223 0.071 0.000 2.334 196 L HA 0.616 4.956 4.340 -0.000 0.000 0.275 196 L C -2.277 174.695 176.870 0.169 0.000 1.036 196 L CA -1.952 53.005 54.840 0.195 0.000 0.807 196 L CB 2.192 44.477 42.059 0.377 0.000 1.231 196 L HN 0.381 nan 8.230 nan 0.000 0.438 197 P HA 0.106 nan 4.420 nan 0.000 0.275 197 P C -0.080 177.353 177.300 0.222 0.000 1.228 197 P CA -0.480 62.716 63.100 0.160 0.000 0.786 197 P CB 1.030 32.810 31.700 0.133 0.000 0.927 198 R N 1.557 122.136 120.500 0.133 0.000 2.189 198 R HA -0.118 4.222 4.340 -0.000 0.000 0.223 198 R C 0.575 176.997 176.300 0.204 0.000 1.092 198 R CA 1.299 57.483 56.100 0.140 0.000 0.989 198 R CB -0.279 30.041 30.300 0.034 0.000 0.876 198 R HN 0.399 nan 8.270 nan 0.000 0.457 199 D N 0.603 121.092 120.400 0.148 0.000 2.218 199 D HA -0.135 4.504 4.640 -0.000 0.000 0.204 199 D C 1.196 177.555 176.300 0.099 0.000 0.976 199 D CA 1.083 55.145 54.000 0.104 0.000 0.853 199 D CB -0.014 40.827 40.800 0.068 0.000 0.939 199 D HN 0.423 nan 8.370 nan 0.000 0.481 200 E N -0.854 119.421 120.200 0.126 0.000 2.427 200 E HA -0.023 4.327 4.350 -0.000 0.000 0.196 200 E C 0.050 176.544 176.600 -0.177 0.000 1.028 200 E CA 0.113 56.495 56.400 -0.029 0.000 0.864 200 E CB 0.095 29.745 29.700 -0.084 0.000 0.813 200 E HN 0.231 nan 8.360 nan 0.000 0.514 201 F N 0.140 120.111 119.950 0.035 0.000 2.578 201 F HA 0.351 4.878 4.527 -0.000 0.000 0.314 201 F C 0.565 176.377 175.800 0.020 0.000 1.225 201 F CA -0.569 57.452 58.000 0.036 0.000 1.215 201 F CB 0.448 39.466 39.000 0.030 0.000 1.448 201 F HN -0.048 nan 8.300 nan 0.000 0.548 202 A N -0.546 122.329 122.820 0.090 0.000 2.939 202 A HA 0.336 4.656 4.320 -0.000 0.000 0.207 202 A C 0.479 178.083 177.584 0.033 0.000 1.881 202 A CA -0.354 51.720 52.037 0.061 0.000 1.796 202 A CB -0.044 18.980 19.000 0.040 0.000 1.411 202 A HN 0.212 nan 8.150 nan 0.000 0.422 203 E N 0.616 120.823 120.200 0.011 0.000 2.415 203 E HA 0.349 4.699 4.350 -0.000 0.000 0.262 203 E C -0.531 176.066 176.600 -0.006 0.000 1.038 203 E CA 0.653 57.054 56.400 0.003 0.000 0.921 203 E CB 0.407 30.105 29.700 -0.004 0.000 0.950 203 E HN 0.597 nan 8.360 nan 0.000 0.438 204 S N 2.960 118.659 115.700 -0.002 0.000 2.541 204 S HA 0.496 4.966 4.470 -0.000 0.000 0.271 204 S C -0.557 174.038 174.600 -0.008 0.000 1.133 204 S CA -1.051 57.143 58.200 -0.009 0.000 0.876 204 S CB 1.577 64.781 63.200 0.006 0.000 1.105 204 S HN 0.442 nan 8.310 nan 0.000 0.470 205 R N 1.336 121.826 120.500 -0.016 0.000 2.637 205 R HA 0.352 4.692 4.340 -0.000 0.000 0.269 205 R C -1.608 174.686 176.300 -0.009 0.000 1.089 205 R CA -1.764 54.328 56.100 -0.013 0.000 1.177 205 R CB -0.069 30.219 30.300 -0.019 0.000 1.091 205 R HN 0.457 nan 8.270 nan 0.000 0.540 206 P HA -0.150 nan 4.420 nan 0.000 0.216 206 P C -0.313 176.976 177.300 -0.018 0.000 1.153 206 P CA 1.499 64.597 63.100 -0.003 0.000 0.858 206 P CB 0.231 31.933 31.700 0.004 0.000 0.789 207 L N -0.878 120.332 121.223 -0.022 0.000 2.385 207 L HA 0.368 4.708 4.340 -0.000 0.000 0.273 207 L C 0.410 177.258 176.870 -0.037 0.000 0.990 207 L CA -0.719 54.101 54.840 -0.033 0.000 0.821 207 L CB 2.400 44.443 42.059 -0.027 0.000 1.279 207 L HN -0.118 nan 8.230 nan 0.000 0.412 208 E N 1.799 121.970 120.200 -0.048 0.000 2.334 208 E HA 0.324 4.674 4.350 -0.000 0.000 0.256 208 E C -0.984 175.568 176.600 -0.080 0.000 0.958 208 E CA -1.152 55.210 56.400 -0.063 0.000 0.821 208 E CB 2.262 31.920 29.700 -0.071 0.000 1.269 208 E HN 0.340 nan 8.360 nan 0.000 0.413 209 K N 1.324 121.665 120.400 -0.099 0.000 2.524 209 K HA -0.086 4.234 4.320 -0.000 0.000 0.279 209 K C -0.367 176.139 176.600 -0.157 0.000 0.993 209 K CA 0.446 56.663 56.287 -0.116 0.000 1.030 209 K CB 0.370 32.793 32.500 -0.128 0.000 0.891 209 K HN 0.347 nan 8.250 nan 0.000 0.488 210 Q N 2.794 122.515 119.800 -0.132 0.000 2.286 210 Q HA 0.048 4.388 4.340 -0.000 0.000 0.265 210 Q C 0.741 176.602 176.000 -0.233 0.000 1.080 210 Q CA -0.363 55.353 55.803 -0.144 0.000 0.906 210 Q CB 0.831 29.529 28.738 -0.066 0.000 1.227 210 Q HN 0.605 nan 8.270 nan 0.000 0.409 211 V N -1.100 118.563 119.914 -0.418 0.000 3.473 211 V HA 0.274 4.394 4.120 -0.000 0.000 0.253 211 V C -0.151 175.633 176.094 -0.517 0.000 1.340 211 V CA -0.482 61.444 62.300 -0.623 0.000 1.103 211 V CB -0.038 31.161 31.823 -1.039 0.000 0.881 211 V HN 0.544 nan 8.190 nan 0.000 0.451 212 W N 0.148 121.461 121.300 0.022 0.000 2.478 212 W HA 0.828 5.488 4.660 -0.001 0.000 0.318 212 W C 1.125 177.654 176.519 0.016 0.000 1.062 212 W CA -0.293 57.065 57.345 0.022 0.000 1.210 212 W CB 2.009 31.480 29.460 0.019 0.000 1.325 212 W HN 0.008 nan 8.180 nan 0.000 0.496 213 A N 2.701 125.686 122.820 0.276 0.000 1.930 213 A HA 0.432 4.752 4.320 -0.000 0.000 0.215 213 A C 0.962 178.629 177.584 0.139 0.000 1.176 213 A CA 1.377 53.517 52.037 0.172 0.000 0.632 213 A CB -0.465 18.633 19.000 0.163 0.000 0.819 213 A HN 0.729 nan 8.150 nan 0.000 0.445 214 G N -3.060 105.819 108.800 0.131 0.000 2.682 214 G HA2 0.679 4.639 3.960 -0.000 0.000 0.290 214 G HA3 0.679 4.639 3.960 -0.000 0.000 0.290 214 G C -1.287 173.583 174.900 -0.050 0.000 1.425 214 G CA 0.041 45.157 45.100 0.027 0.000 0.807 214 G HN 1.153 nan 8.290 nan 0.000 0.482 215 A N -0.375 122.374 122.820 -0.119 0.000 2.589 215 A HA 0.751 5.070 4.320 -0.000 0.000 0.296 215 A C -1.434 176.033 177.584 -0.196 0.000 1.062 215 A CA -0.489 51.422 52.037 -0.211 0.000 0.686 215 A CB 1.222 20.094 19.000 -0.214 0.000 1.282 215 A HN 0.751 nan 8.150 nan 0.000 0.404 216 I N 1.975 122.405 120.570 -0.234 0.000 2.411 216 I HA 0.296 4.466 4.170 -0.000 0.000 0.284 216 I C -1.083 174.913 176.117 -0.201 0.000 1.012 216 I CA -0.272 60.906 61.300 -0.202 0.000 1.119 216 I CB 1.749 39.620 38.000 -0.214 0.000 1.261 216 I HN 0.776 nan 8.210 nan 0.000 0.448 217 D N 3.564 123.868 120.400 -0.159 0.000 2.217 217 D HA 0.328 4.968 4.640 -0.000 0.000 0.243 217 D C 0.741 176.971 176.300 -0.117 0.000 1.054 217 D CA -0.353 53.558 54.000 -0.147 0.000 0.838 217 D CB 1.525 42.257 40.800 -0.113 0.000 1.162 217 D HN 0.576 nan 8.370 nan 0.000 0.472 218 T N 0.121 114.604 114.554 -0.118 0.000 3.044 218 T HA 0.090 4.440 4.350 -0.000 0.000 0.260 218 T C 1.126 175.785 174.700 -0.069 0.000 1.019 218 T CA 0.306 62.352 62.100 -0.091 0.000 0.921 218 T CB 0.246 69.055 68.868 -0.098 0.000 1.053 218 T HN 0.242 nan 8.240 nan 0.000 0.533 219 V N 0.485 120.356 119.914 -0.072 0.000 3.307 219 V HA 0.605 4.725 4.120 -0.000 0.000 0.244 219 V C 1.291 177.371 176.094 -0.024 0.000 1.196 219 V CA 1.371 63.641 62.300 -0.051 0.000 1.132 219 V CB -0.124 31.656 31.823 -0.071 0.000 0.875 219 V HN 0.885 nan 8.190 nan 0.000 0.468 220 G N 0.658 109.444 108.800 -0.025 0.000 2.598 220 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 220 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 220 G C 0.064 174.960 174.900 -0.006 0.000 1.302 220 G CA 0.913 46.010 45.100 -0.005 0.000 0.903 220 G HN 1.452 nan 8.290 nan 0.000 0.575 221 D N -2.003 118.388 120.400 -0.014 0.000 3.393 221 D HA -0.195 4.445 4.640 -0.000 0.000 0.178 221 D C 1.678 177.975 176.300 -0.005 0.000 1.201 221 D CA 2.382 56.363 54.000 -0.032 0.000 1.086 221 D CB -0.963 39.816 40.800 -0.036 0.000 0.568 221 D HN 0.798 nan 8.370 nan 0.000 0.637 222 K N -0.672 119.731 120.400 0.005 0.000 2.155 222 K HA 0.059 4.379 4.320 -0.000 0.000 0.203 222 K C 2.018 178.660 176.600 0.069 0.000 1.052 222 K CA 1.076 57.381 56.287 0.031 0.000 0.948 222 K CB -0.065 32.452 32.500 0.029 0.000 0.728 222 K HN 0.193 nan 8.250 nan 0.000 0.448 223 V N 1.464 121.419 119.914 0.068 0.000 2.343 223 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 223 V C 2.073 178.219 176.094 0.086 0.000 1.051 223 V CA 1.399 63.761 62.300 0.104 0.000 1.036 223 V CB -0.319 31.511 31.823 0.011 0.000 0.654 223 V HN 0.271 nan 8.190 nan 0.000 0.451 224 L N 0.923 122.168 121.223 0.037 0.000 2.056 224 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 224 L C 2.438 179.346 176.870 0.064 0.000 1.078 224 L CA 2.321 57.180 54.840 0.031 0.000 0.749 224 L CB -1.036 41.033 42.059 0.017 0.000 0.901 224 L HN 0.210 nan 8.230 nan 0.000 0.433 225 A N -0.398 122.461 122.820 0.065 0.000 1.902 225 A HA -0.275 4.044 4.320 -0.000 0.000 0.217 225 A C 2.378 180.008 177.584 0.077 0.000 1.181 225 A CA 2.044 54.120 52.037 0.065 0.000 0.623 225 A CB -0.632 18.397 19.000 0.049 0.000 0.818 225 A HN 0.465 nan 8.150 nan 0.000 0.443 226 K N -0.235 120.234 120.400 0.115 0.000 2.026 226 K HA -0.072 4.248 4.320 -0.000 0.000 0.208 226 K C 1.681 178.402 176.600 0.202 0.000 1.048 226 K CA 1.824 58.197 56.287 0.142 0.000 0.929 226 K CB -0.656 31.959 32.500 0.193 0.000 0.713 226 K HN 0.154 nan 8.250 nan 0.000 0.439 227 V N 1.188 121.261 119.914 0.264 0.000 2.332 227 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 227 V C 2.301 178.518 176.094 0.205 0.000 1.055 227 V CA 1.849 64.330 62.300 0.302 0.000 1.038 227 V CB -0.428 31.470 31.823 0.125 0.000 0.651 227 V HN 0.306 nan 8.190 nan 0.000 0.450 228 L N 0.009 121.283 121.223 0.085 0.000 2.046 228 L HA -0.142 4.197 4.340 -0.000 0.000 0.208 228 L C 2.596 179.431 176.870 -0.059 0.000 1.077 228 L CA 1.610 56.434 54.840 -0.026 0.000 0.747 228 L CB -0.662 41.352 42.059 -0.074 0.000 0.896 228 L HN 0.356 nan 8.230 nan 0.000 0.432 229 A N -1.062 121.750 122.820 -0.014 0.000 2.121 229 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 229 A C 2.034 179.605 177.584 -0.023 0.000 1.154 229 A CA 1.050 53.068 52.037 -0.032 0.000 0.679 229 A CB -0.243 18.748 19.000 -0.015 0.000 0.795 229 A HN 0.515 nan 8.150 nan 0.000 0.458 230 Q N -0.858 118.963 119.800 0.035 0.000 2.319 230 Q HA 0.197 4.537 4.340 -0.000 0.000 0.202 230 Q C -0.286 175.706 176.000 -0.013 0.000 0.896 230 Q CA -0.348 55.442 55.803 -0.020 0.000 0.942 230 Q CB 0.177 28.925 28.738 0.018 0.000 1.083 230 Q HN 0.456 nan 8.270 nan 0.000 0.510 231 M N 1.716 121.352 119.600 0.059 0.000 2.238 231 M HA 0.066 4.546 4.480 -0.000 0.000 0.350 231 M C 0.035 176.337 176.300 0.003 0.000 1.321 231 M CA -0.069 55.272 55.300 0.067 0.000 1.097 231 M CB -0.110 32.494 32.600 0.007 0.000 1.713 231 M HN 0.018 nan 8.290 nan 0.000 0.455 232 N N 1.692 120.412 118.700 0.034 0.000 2.329 232 N HA -0.086 4.654 4.740 -0.000 0.000 0.237 232 N C -0.659 174.886 175.510 0.058 0.000 1.258 232 N CA 0.099 53.177 53.050 0.047 0.000 0.866 232 N CB 0.049 38.579 38.487 0.072 0.000 1.102 232 N HN 0.438 nan 8.380 nan 0.000 0.440 233 Y N 0.675 120.963 120.300 -0.019 0.000 2.802 233 Y HA 0.113 4.663 4.550 -0.000 0.000 0.333 233 Y C 1.593 177.493 175.900 -0.000 0.000 1.244 233 Y CA 1.542 59.633 58.100 -0.014 0.000 1.558 233 Y CB -0.301 38.151 38.460 -0.013 0.000 1.233 233 Y HN 0.776 nan 8.280 nan 0.000 0.547 234 G N 3.282 111.939 108.800 -0.239 0.000 2.159 234 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.256 234 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.256 234 G C 0.520 175.408 174.900 -0.021 0.000 0.977 234 G CA 0.035 45.085 45.100 -0.084 0.000 0.652 234 G HN 1.217 nan 8.290 nan 0.000 0.531 235 G N -1.362 107.423 108.800 -0.025 0.000 2.599 235 G HA2 0.486 4.446 3.960 -0.000 0.000 0.264 235 G HA3 0.486 4.446 3.960 -0.000 0.000 0.264 235 G C 0.157 175.052 174.900 -0.007 0.000 1.200 235 G CA 0.418 45.524 45.100 0.011 0.000 0.896 235 G HN 1.330 nan 8.290 nan 0.000 0.536 236 C N 0.528 119.832 119.300 0.007 0.000 2.482 236 C HA 0.641 5.101 4.460 -0.000 0.000 0.317 236 C C -0.432 174.548 174.990 -0.016 0.000 1.197 236 C CA -0.567 58.450 59.018 -0.003 0.000 1.432 236 C CB 0.521 28.257 27.740 -0.006 0.000 2.062 236 C HN 0.544 nan 8.230 nan 0.000 0.471 237 V N 5.646 125.553 119.914 -0.012 0.000 2.394 237 V HA 0.669 4.789 4.120 -0.000 0.000 0.282 237 V C 0.677 176.748 176.094 -0.039 0.000 1.031 237 V CA -0.221 62.059 62.300 -0.033 0.000 0.881 237 V CB 1.320 33.136 31.823 -0.011 0.000 0.982 237 V HN 1.095 nan 8.190 nan 0.000 0.451 238 A N 4.342 127.115 122.820 -0.077 0.000 2.252 238 A HA 0.810 5.130 4.320 -0.000 0.000 0.309 238 A C 0.294 177.826 177.584 -0.087 0.000 1.285 238 A CA -0.214 51.772 52.037 -0.086 0.000 0.900 238 A CB 0.462 19.390 19.000 -0.119 0.000 1.157 238 A HN 1.233 nan 8.150 nan 0.000 0.536 239 A N 1.779 124.561 122.820 -0.063 0.000 2.288 239 A HA 0.544 4.864 4.320 -0.000 0.000 0.320 239 A C 0.574 178.122 177.584 -0.061 0.000 1.217 239 A CA 0.033 52.037 52.037 -0.055 0.000 0.840 239 A CB 0.228 19.215 19.000 -0.023 0.000 1.179 239 A HN 1.943 nan 8.150 nan 0.000 0.504 240 C N 0.322 119.581 119.300 -0.067 0.000 3.911 240 C HA 0.674 5.134 4.460 -0.000 0.000 0.318 240 C C 0.758 175.721 174.990 -0.046 0.000 1.643 240 C CA 0.216 59.194 59.018 -0.067 0.000 1.845 240 C CB -0.439 27.244 27.740 -0.096 0.000 2.981 240 C HN 1.192 nan 8.230 nan 0.000 0.656 241 G N 1.036 109.815 108.800 -0.034 0.000 2.866 241 G HA2 0.661 4.621 3.960 -0.000 0.000 0.289 241 G HA3 0.661 4.621 3.960 -0.000 0.000 0.289 241 G C -0.901 174.003 174.900 0.008 0.000 1.396 241 G CA -0.147 44.944 45.100 -0.014 0.000 0.848 241 G HN 0.820 nan 8.290 nan 0.000 0.515 242 L N -3.198 118.040 121.223 0.026 0.000 3.556 242 L HA 0.599 4.939 4.340 -0.000 0.000 0.346 242 L C 1.607 178.509 176.870 0.054 0.000 1.340 242 L CA 0.206 55.079 54.840 0.056 0.000 0.962 242 L CB 0.019 42.142 42.059 0.106 0.000 1.384 242 L HN 0.609 nan 8.230 nan 0.000 0.615 243 A N 0.864 123.696 122.820 0.021 0.000 1.972 243 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 243 A C 2.044 179.638 177.584 0.018 0.000 1.169 243 A CA 1.860 53.905 52.037 0.014 0.000 0.635 243 A CB -0.789 18.191 19.000 -0.034 0.000 0.810 243 A HN 0.597 nan 8.150 nan 0.000 0.446 244 G N -1.909 106.896 108.800 0.008 0.000 2.838 244 G HA2 0.456 4.416 3.960 -0.000 0.000 0.210 244 G HA3 0.456 4.416 3.960 -0.000 0.000 0.210 244 G C 0.577 175.483 174.900 0.010 0.000 1.153 244 G CA 0.742 45.846 45.100 0.007 0.000 0.778 244 G HN 1.502 nan 8.290 nan 0.000 0.539 245 G N -0.990 107.825 108.800 0.025 0.000 2.352 245 G HA2 0.290 4.250 3.960 -0.000 0.000 0.303 245 G HA3 0.290 4.250 3.960 -0.000 0.000 0.303 245 G C 0.063 174.979 174.900 0.028 0.000 1.593 245 G CA -0.186 44.918 45.100 0.007 0.000 0.963 245 G HN 0.514 nan 8.290 nan 0.000 0.685 246 F N 0.354 120.312 119.950 0.013 0.000 2.664 246 F HA 0.318 4.845 4.527 -0.000 0.000 0.296 246 F C 1.478 177.284 175.800 0.009 0.000 1.125 246 F CA 0.646 58.652 58.000 0.010 0.000 1.444 246 F CB -0.366 38.640 39.000 0.010 0.000 1.114 246 F HN 0.611 nan 8.300 nan 0.000 0.576 247 T N 0.333 114.535 114.554 -0.588 0.000 2.788 247 T HA 0.414 4.764 4.350 -0.000 0.000 0.287 247 T C -0.594 174.026 174.700 -0.134 0.000 1.007 247 T CA -0.635 61.239 62.100 -0.377 0.000 1.005 247 T CB 1.826 70.424 68.868 -0.451 0.000 1.012 247 T HN 0.265 nan 8.240 nan 0.000 0.530 248 L N 2.323 123.505 121.223 -0.069 0.000 2.489 248 L HA 0.440 4.779 4.340 -0.000 0.000 0.257 248 L C -2.596 174.271 176.870 -0.004 0.000 1.215 248 L CA -2.085 52.747 54.840 -0.014 0.000 0.915 248 L CB 1.152 43.224 42.059 0.021 0.000 1.146 248 L HN 0.557 nan 8.230 nan 0.000 0.494 249 P HA 0.268 nan 4.420 nan 0.000 0.238 249 P C -0.260 177.055 177.300 0.026 0.000 1.794 249 P CA 0.157 63.256 63.100 -0.001 0.000 1.088 249 P CB 0.585 32.274 31.700 -0.018 0.000 1.923 250 T N 0.581 115.165 114.554 0.050 0.000 2.718 250 T HA 0.701 5.050 4.350 -0.000 0.000 0.267 250 T C -0.231 174.521 174.700 0.087 0.000 0.957 250 T CA -0.181 61.966 62.100 0.079 0.000 1.025 250 T CB 1.424 70.370 68.868 0.130 0.000 1.355 250 T HN 0.348 nan 8.240 nan 0.000 0.572 251 T N -1.490 113.134 114.554 0.116 0.000 2.858 251 T HA 0.487 4.837 4.350 -0.000 0.000 0.285 251 T C 1.193 176.028 174.700 0.223 0.000 1.052 251 T CA 0.003 62.173 62.100 0.117 0.000 1.009 251 T CB 0.890 69.799 68.868 0.069 0.000 1.241 251 T HN 0.793 nan 8.240 nan 0.000 0.542 252 V N -0.756 119.272 119.914 0.191 0.000 3.623 252 V HA 0.127 4.247 4.120 -0.000 0.000 0.271 252 V C 1.957 178.194 176.094 0.238 0.000 1.248 252 V CA 0.259 62.729 62.300 0.283 0.000 1.156 252 V CB -1.293 30.612 31.823 0.137 0.000 0.870 252 V HN 0.694 nan 8.190 nan 0.000 0.453 253 M N 0.970 120.637 119.600 0.112 0.000 2.099 253 M HA 0.089 4.569 4.480 -0.000 0.000 0.262 253 M C 0.154 176.429 176.300 -0.043 0.000 1.067 253 M CA 1.293 56.614 55.300 0.035 0.000 1.124 253 M CB -2.643 29.964 32.600 0.013 0.000 1.353 253 M HN 0.324 nan 8.290 nan 0.000 0.410 254 P HA -0.133 nan 4.420 nan 0.000 0.216 254 P C 1.496 178.561 177.300 -0.391 0.000 1.150 254 P CA 1.372 64.266 63.100 -0.343 0.000 0.837 254 P CB -0.267 31.093 31.700 -0.566 0.000 0.786 255 F N -0.450 119.475 119.950 -0.043 0.000 2.098 255 F HA -0.044 4.483 4.527 -0.000 0.000 0.294 255 F C 2.298 178.061 175.800 -0.061 0.000 1.107 255 F CA 1.111 59.078 58.000 -0.055 0.000 1.234 255 F CB -1.432 37.547 39.000 -0.035 0.000 1.002 255 F HN -0.145 nan 8.300 nan 0.000 0.472 256 I N -2.298 118.356 120.570 0.141 0.000 3.030 256 I HA 0.008 4.177 4.170 -0.000 0.000 0.270 256 I C 1.508 177.651 176.117 0.044 0.000 1.211 256 I CA 1.344 62.694 61.300 0.082 0.000 1.479 256 I CB -0.224 37.825 38.000 0.080 0.000 1.105 256 I HN 0.102 nan 8.210 nan 0.000 0.447 257 L N 0.203 121.440 121.223 0.023 0.000 2.609 257 L HA 0.296 4.636 4.340 -0.000 0.000 0.230 257 L C 1.922 178.810 176.870 0.030 0.000 1.087 257 L CA 0.236 55.100 54.840 0.041 0.000 0.874 257 L CB 0.090 42.173 42.059 0.039 0.000 1.114 257 L HN 0.138 nan 8.230 nan 0.000 0.488 258 R N -0.516 119.909 120.500 -0.125 0.000 2.535 258 R HA 0.141 4.481 4.340 -0.000 0.000 0.323 258 R C 0.037 175.900 176.300 -0.728 0.000 0.979 258 R CA -0.142 55.748 56.100 -0.349 0.000 1.120 258 R CB 0.384 30.571 30.300 -0.189 0.000 1.306 258 R HN 0.082 nan 8.270 nan 0.000 0.540 259 N N 0.461 118.883 118.700 -0.463 0.000 2.721 259 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 259 N C -0.925 174.430 175.510 -0.258 0.000 1.072 259 N CA 0.350 53.184 53.050 -0.361 0.000 0.710 259 N CB -0.497 37.678 38.487 -0.520 0.000 0.993 259 N HN -0.056 nan 8.380 nan 0.000 0.547 260 V N 0.564 120.354 119.914 -0.207 0.000 2.649 260 V HA 0.213 4.333 4.120 -0.000 0.000 0.292 260 V C 0.977 177.105 176.094 0.055 0.000 1.055 260 V CA -0.186 62.017 62.300 -0.161 0.000 1.023 260 V CB 1.512 33.121 31.823 -0.356 0.000 0.992 260 V HN 0.228 nan 8.190 nan 0.000 0.480 261 R N 3.924 124.461 120.500 0.061 0.000 2.294 261 R HA 0.512 4.852 4.340 -0.000 0.000 0.319 261 R C -1.212 175.187 176.300 0.165 0.000 0.984 261 R CA -0.784 55.395 56.100 0.132 0.000 0.861 261 R CB 1.109 31.441 30.300 0.054 0.000 1.104 261 R HN 0.553 nan 8.270 nan 0.000 0.451 262 L N 4.438 125.823 121.223 0.271 0.000 2.264 262 L HA 0.304 4.644 4.340 -0.000 0.000 0.287 262 L C -0.962 175.948 176.870 0.066 0.000 1.039 262 L CA -0.176 54.775 54.840 0.184 0.000 0.829 262 L CB 1.267 43.496 42.059 0.284 0.000 1.211 262 L HN 0.589 nan 8.230 nan 0.000 0.427 263 Q N 3.623 123.438 119.800 0.025 0.000 2.368 263 Q HA 0.599 4.939 4.340 -0.000 0.000 0.256 263 Q C -0.041 175.943 176.000 -0.027 0.000 0.980 263 Q CA -0.237 55.560 55.803 -0.010 0.000 0.887 263 Q CB 1.439 30.162 28.738 -0.026 0.000 1.221 263 Q HN 0.801 nan 8.270 nan 0.000 0.458 264 G N 2.095 110.878 108.800 -0.030 0.000 2.442 264 G HA2 0.451 4.411 3.960 -0.000 0.000 0.249 264 G HA3 0.451 4.411 3.960 -0.000 0.000 0.249 264 G C -0.966 173.898 174.900 -0.061 0.000 1.263 264 G CA -0.377 44.699 45.100 -0.040 0.000 0.846 264 G HN 0.517 nan 8.290 nan 0.000 0.555 265 V N 3.170 123.038 119.914 -0.076 0.000 2.349 265 V HA 0.186 4.306 4.120 -0.000 0.000 0.284 265 V C -0.523 175.508 176.094 -0.104 0.000 1.014 265 V CA -0.742 61.494 62.300 -0.107 0.000 0.826 265 V CB 1.298 33.037 31.823 -0.139 0.000 1.009 265 V HN 0.909 nan 8.190 nan 0.000 0.431 266 D N 3.053 123.393 120.400 -0.101 0.000 2.210 266 D HA 0.365 5.005 4.640 -0.000 0.000 0.249 266 D C 1.109 177.341 176.300 -0.113 0.000 1.078 266 D CA 0.194 54.135 54.000 -0.098 0.000 0.875 266 D CB 2.084 42.830 40.800 -0.091 0.000 1.175 266 D HN 0.474 nan 8.370 nan 0.000 0.440 267 S N 1.768 117.416 115.700 -0.086 0.000 2.502 267 S HA 0.013 4.483 4.470 -0.000 0.000 0.215 267 S C 1.532 176.084 174.600 -0.080 0.000 1.009 267 S CA 0.082 58.289 58.200 0.012 0.000 0.908 267 S CB 0.051 63.300 63.200 0.080 0.000 0.801 267 S HN 0.333 nan 8.310 nan 0.000 0.505 268 V N 1.804 121.596 119.914 -0.203 0.000 2.323 268 V HA 0.152 4.272 4.120 -0.000 0.000 0.244 268 V C 1.762 177.428 176.094 -0.713 0.000 1.041 268 V CA 1.268 63.356 62.300 -0.352 0.000 1.025 268 V CB -0.455 31.230 31.823 -0.230 0.000 0.656 268 V HN 0.510 nan 8.190 nan 0.000 0.451 269 M N 0.048 119.289 119.600 -0.599 0.000 2.589 269 M HA 0.226 4.706 4.480 -0.000 0.000 0.344 269 M C 0.686 176.634 176.300 -0.586 0.000 1.168 269 M CA -0.022 54.797 55.300 -0.802 0.000 0.956 269 M CB -0.153 32.293 32.600 -0.255 0.000 1.370 269 M HN 0.394 nan 8.290 nan 0.000 0.518 270 T N 2.071 116.359 114.554 -0.443 0.000 2.888 270 T HA 0.252 4.602 4.350 -0.000 0.000 0.301 270 T C -2.459 172.279 174.700 0.064 0.000 1.001 270 T CA -0.845 61.193 62.100 -0.103 0.000 1.147 270 T CB 0.601 69.483 68.868 0.024 0.000 0.931 270 T HN 0.061 nan 8.240 nan 0.000 0.541 271 P HA 0.140 nan 4.420 nan 0.000 0.268 271 P C -1.891 175.597 177.300 0.312 0.000 1.208 271 P CA -1.378 61.894 63.100 0.286 0.000 0.777 271 P CB -0.061 31.749 31.700 0.184 0.000 0.875 272 P HA -0.211 nan 4.420 nan 0.000 0.216 272 P C 1.415 178.854 177.300 0.231 0.000 1.150 272 P CA 1.468 64.749 63.100 0.303 0.000 0.843 272 P CB 0.030 31.871 31.700 0.234 0.000 0.787 273 E N -0.541 119.766 120.200 0.179 0.000 2.015 273 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 273 E C 2.308 178.996 176.600 0.146 0.000 0.991 273 E CA 0.766 57.250 56.400 0.140 0.000 0.802 273 E CB -0.218 29.544 29.700 0.104 0.000 0.759 273 E HN -0.180 nan 8.360 nan 0.000 0.447 274 R N 0.868 121.449 120.500 0.135 0.000 2.117 274 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 274 R C 2.396 178.799 176.300 0.172 0.000 1.143 274 R CA 1.639 57.805 56.100 0.110 0.000 0.968 274 R CB -0.582 29.762 30.300 0.074 0.000 0.863 274 R HN 0.229 nan 8.270 nan 0.000 0.444 275 R N -0.357 120.313 120.500 0.283 0.000 2.066 275 R HA -0.053 4.286 4.340 -0.000 0.000 0.232 275 R C 2.102 178.705 176.300 0.505 0.000 1.131 275 R CA 1.490 57.881 56.100 0.484 0.000 0.955 275 R CB -0.272 30.296 30.300 0.447 0.000 0.851 275 R HN 0.192 nan 8.270 nan 0.000 0.432 276 A N 0.802 123.842 122.820 0.365 0.000 1.902 276 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 276 A C 2.100 179.853 177.584 0.283 0.000 1.181 276 A CA 1.600 53.835 52.037 0.329 0.000 0.623 276 A CB -0.693 18.437 19.000 0.217 0.000 0.818 276 A HN 0.597 nan 8.150 nan 0.000 0.443 277 Q N -0.492 119.428 119.800 0.200 0.000 2.096 277 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 277 Q C 2.126 178.192 176.000 0.109 0.000 0.982 277 Q CA 1.758 57.639 55.803 0.130 0.000 0.850 277 Q CB -0.338 28.449 28.738 0.082 0.000 0.901 277 Q HN 0.613 nan 8.270 nan 0.000 0.422 278 A N -0.363 122.519 122.820 0.103 0.000 1.930 278 A HA -0.152 4.167 4.320 -0.000 0.000 0.217 278 A C 1.570 179.147 177.584 -0.013 0.000 1.175 278 A CA 1.026 53.038 52.037 -0.042 0.000 0.627 278 A CB -1.016 17.845 19.000 -0.232 0.000 0.815 278 A HN 0.643 nan 8.150 nan 0.000 0.443 279 W N -0.246 121.167 121.300 0.189 0.000 2.388 279 W HA -0.113 4.546 4.660 -0.000 0.000 0.294 279 W C 2.617 179.199 176.519 0.105 0.000 1.212 279 W CA 1.266 58.707 57.345 0.160 0.000 1.271 279 W CB -0.034 29.512 29.460 0.144 0.000 1.126 279 W HN 0.379 nan 8.180 nan 0.000 0.535 280 Q N 0.577 120.554 119.800 0.294 0.000 2.084 280 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 280 Q C 2.224 178.298 176.000 0.123 0.000 0.978 280 Q CA 1.224 57.139 55.803 0.187 0.000 0.844 280 Q CB -0.148 28.674 28.738 0.141 0.000 0.898 280 Q HN 0.155 nan 8.270 nan 0.000 0.426 281 R N 0.290 120.836 120.500 0.078 0.000 2.096 281 R HA -0.059 4.281 4.340 -0.000 0.000 0.235 281 R C 2.414 178.718 176.300 0.006 0.000 1.127 281 R CA 0.669 56.782 56.100 0.021 0.000 0.968 281 R CB -0.795 29.489 30.300 -0.026 0.000 0.861 281 R HN 0.329 nan 8.270 nan 0.000 0.440 282 L N 0.136 121.362 121.223 0.005 0.000 2.083 282 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 282 L C 2.405 179.334 176.870 0.098 0.000 1.083 282 L CA 0.862 55.695 54.840 -0.012 0.000 0.752 282 L CB -0.377 41.658 42.059 -0.040 0.000 0.899 282 L HN -0.074 nan 8.230 nan 0.000 0.433 283 V N -0.276 119.739 119.914 0.169 0.000 2.358 283 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 283 V C 2.624 178.797 176.094 0.132 0.000 1.047 283 V CA 1.773 64.188 62.300 0.192 0.000 1.035 283 V CB -0.746 31.180 31.823 0.171 0.000 0.658 283 V HN 0.479 nan 8.190 nan 0.000 0.452 284 A N -0.622 122.250 122.820 0.087 0.000 2.014 284 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 284 A C 1.774 179.384 177.584 0.042 0.000 1.163 284 A CA 1.725 53.797 52.037 0.059 0.000 0.652 284 A CB -0.236 18.790 19.000 0.043 0.000 0.808 284 A HN 0.556 nan 8.150 nan 0.000 0.449 285 D N -1.596 118.816 120.400 0.020 0.000 2.449 285 D HA 0.196 4.836 4.640 -0.000 0.000 0.210 285 D C -0.384 175.885 176.300 -0.051 0.000 1.094 285 D CA -0.133 53.858 54.000 -0.016 0.000 0.846 285 D CB 0.242 41.017 40.800 -0.043 0.000 1.003 285 D HN 0.211 nan 8.370 nan 0.000 0.504 286 L N 3.094 124.285 121.223 -0.053 0.000 2.319 286 L HA 0.302 4.642 4.340 -0.000 0.000 0.280 286 L C -2.114 174.768 176.870 0.019 0.000 1.099 286 L CA -1.690 53.052 54.840 -0.163 0.000 0.828 286 L CB 0.571 42.444 42.059 -0.309 0.000 1.150 286 L HN -0.211 nan 8.230 nan 0.000 0.442 287 P HA 0.099 nan 4.420 nan 0.000 0.272 287 P C 0.249 177.696 177.300 0.244 0.000 1.240 287 P CA -0.307 62.867 63.100 0.122 0.000 0.791 287 P CB 0.642 32.406 31.700 0.105 0.000 0.978 288 E N 0.503 120.853 120.200 0.250 0.000 2.110 288 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 288 E C 1.833 178.604 176.600 0.285 0.000 0.988 288 E CA 1.648 58.241 56.400 0.322 0.000 0.804 288 E CB -0.832 28.978 29.700 0.183 0.000 0.745 288 E HN 0.567 nan 8.360 nan 0.000 0.458 289 S N 0.303 116.115 115.700 0.186 0.000 2.442 289 S HA -0.150 4.320 4.470 -0.000 0.000 0.236 289 S C 1.906 176.581 174.600 0.125 0.000 1.007 289 S CA 0.660 58.940 58.200 0.133 0.000 0.965 289 S CB -0.574 62.682 63.200 0.095 0.000 0.773 289 S HN 0.261 nan 8.310 nan 0.000 0.504 290 F N 1.647 121.582 119.950 -0.025 0.000 2.186 290 F HA 0.048 4.575 4.527 -0.000 0.000 0.299 290 F C 1.791 177.497 175.800 -0.157 0.000 1.090 290 F CA 0.852 58.768 58.000 -0.141 0.000 1.307 290 F CB -0.296 38.532 39.000 -0.287 0.000 1.019 290 F HN 0.128 nan 8.300 nan 0.000 0.489 291 Y N -0.099 120.240 120.300 0.064 0.000 2.337 291 Y HA -0.086 4.464 4.550 -0.000 0.000 0.293 291 Y C 2.731 178.580 175.900 -0.085 0.000 1.123 291 Y CA 1.390 59.473 58.100 -0.028 0.000 1.201 291 Y CB -1.185 37.316 38.460 0.068 0.000 1.011 291 Y HN 0.121 nan 8.280 nan 0.000 0.545 292 T N -1.755 112.861 114.554 0.103 0.000 3.160 292 T HA -0.040 4.310 4.350 -0.000 0.000 0.257 292 T C 0.600 175.291 174.700 -0.015 0.000 1.147 292 T CA -0.069 62.056 62.100 0.043 0.000 1.064 292 T CB -0.352 68.549 68.868 0.055 0.000 0.949 292 T HN 0.221 nan 8.240 nan 0.000 0.526 293 Q N 1.331 121.085 119.800 -0.077 0.000 2.349 293 Q HA 0.367 4.707 4.340 -0.000 0.000 0.287 293 Q C 0.193 176.148 176.000 -0.075 0.000 1.044 293 Q CA -0.110 55.638 55.803 -0.091 0.000 0.918 293 Q CB 0.433 29.064 28.738 -0.179 0.000 1.242 293 Q HN 0.576 nan 8.270 nan 0.000 0.405 294 A N 1.817 124.609 122.820 -0.046 0.000 2.522 294 A HA 0.395 4.714 4.320 -0.000 0.000 0.256 294 A C -0.199 177.361 177.584 -0.042 0.000 1.086 294 A CA 0.273 52.290 52.037 -0.032 0.000 0.763 294 A CB 0.041 19.032 19.000 -0.015 0.000 1.024 294 A HN 0.682 nan 8.150 nan 0.000 0.502 295 A N 3.336 126.134 122.820 -0.036 0.000 2.350 295 A HA 0.671 4.991 4.320 -0.000 0.000 0.324 295 A C -0.208 177.380 177.584 0.007 0.000 1.118 295 A CA -0.841 51.179 52.037 -0.028 0.000 0.783 295 A CB 0.770 19.732 19.000 -0.064 0.000 1.236 295 A HN 0.727 nan 8.150 nan 0.000 0.457 296 K N 2.084 122.503 120.400 0.030 0.000 2.284 296 K HA 0.331 4.651 4.320 -0.000 0.000 0.287 296 K C -0.584 176.012 176.600 -0.007 0.000 1.081 296 K CA 0.302 56.610 56.287 0.035 0.000 0.910 296 K CB 0.755 33.320 32.500 0.110 0.000 1.088 296 K HN 0.704 nan 8.250 nan 0.000 0.478 297 E N 3.802 124.013 120.200 0.017 0.000 2.200 297 E HA 0.323 4.673 4.350 -0.000 0.000 0.283 297 E C -0.121 176.428 176.600 -0.085 0.000 1.015 297 E CA -0.533 55.912 56.400 0.075 0.000 0.819 297 E CB 0.903 30.732 29.700 0.215 0.000 1.081 297 E HN 0.525 nan 8.360 nan 0.000 0.397 298 I N -1.055 119.429 120.570 -0.143 0.000 2.934 298 I HA 0.541 4.711 4.170 -0.000 0.000 0.306 298 I C -0.042 175.984 176.117 -0.151 0.000 1.110 298 I CA -0.994 60.146 61.300 -0.267 0.000 1.019 298 I CB 2.149 39.799 38.000 -0.582 0.000 1.227 298 I HN 0.455 nan 8.210 nan 0.000 0.434 299 S N 4.159 119.777 115.700 -0.135 0.000 2.645 299 S HA 0.400 4.870 4.470 -0.000 0.000 0.266 299 S C 0.954 175.504 174.600 -0.083 0.000 1.258 299 S CA -0.745 57.395 58.200 -0.101 0.000 0.990 299 S CB 1.401 64.554 63.200 -0.078 0.000 0.967 299 S HN 0.784 nan 8.310 nan 0.000 0.556 300 L N 1.473 122.654 121.223 -0.070 0.000 2.079 300 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 300 L C 3.000 179.849 176.870 -0.034 0.000 1.081 300 L CA 1.696 56.504 54.840 -0.053 0.000 0.752 300 L CB -0.832 41.191 42.059 -0.061 0.000 0.896 300 L HN 0.977 nan 8.230 nan 0.000 0.433 301 S N -1.032 114.649 115.700 -0.031 0.000 2.447 301 S HA -0.151 4.319 4.470 -0.000 0.000 0.233 301 S C 1.563 176.173 174.600 0.017 0.000 1.006 301 S CA 0.872 59.066 58.200 -0.011 0.000 0.957 301 S CB -0.276 62.916 63.200 -0.013 0.000 0.773 301 S HN 0.523 nan 8.310 nan 0.000 0.507 302 E N 1.114 121.322 120.200 0.014 0.000 2.478 302 E HA 0.299 4.649 4.350 -0.000 0.000 0.194 302 E C 2.106 178.784 176.600 0.131 0.000 1.045 302 E CA 0.378 56.827 56.400 0.081 0.000 0.868 302 E CB -0.166 29.543 29.700 0.015 0.000 0.885 302 E HN 0.687 nan 8.360 nan 0.000 0.505 303 A N 2.343 125.196 122.820 0.056 0.000 1.908 303 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 303 A C -0.347 177.306 177.584 0.114 0.000 1.181 303 A CA 1.120 53.204 52.037 0.078 0.000 0.627 303 A CB -1.240 17.777 19.000 0.029 0.000 0.818 303 A HN 0.136 nan 8.150 nan 0.000 0.445 304 P HA -0.140 nan 4.420 nan 0.000 0.215 304 P C 0.994 178.345 177.300 0.085 0.000 1.157 304 P CA 1.620 64.760 63.100 0.067 0.000 0.868 304 P CB -0.239 31.486 31.700 0.042 0.000 0.788 305 N N -1.726 117.042 118.700 0.113 0.000 2.142 305 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 305 N C 1.476 177.022 175.510 0.060 0.000 1.023 305 N CA 0.651 53.749 53.050 0.080 0.000 0.852 305 N CB -0.445 38.094 38.487 0.086 0.000 0.998 305 N HN 0.008 nan 8.380 nan 0.000 0.424 306 F N 1.295 121.254 119.950 0.016 0.000 2.293 306 F HA 0.013 4.540 4.527 -0.000 0.000 0.300 306 F C 2.341 178.157 175.800 0.028 0.000 1.086 306 F CA 0.526 58.539 58.000 0.023 0.000 1.375 306 F CB -0.335 38.682 39.000 0.028 0.000 1.045 306 F HN 0.034 nan 8.300 nan 0.000 0.516 307 A N -0.161 122.763 122.820 0.175 0.000 1.930 307 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 307 A C 2.168 179.786 177.584 0.057 0.000 1.175 307 A CA 1.477 53.576 52.037 0.103 0.000 0.627 307 A CB -0.548 18.494 19.000 0.071 0.000 0.815 307 A HN 0.369 nan 8.150 nan 0.000 0.443 308 E N -0.095 120.125 120.200 0.032 0.000 2.110 308 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 308 E C 2.272 178.867 176.600 -0.009 0.000 0.988 308 E CA 0.979 57.382 56.400 0.006 0.000 0.804 308 E CB -0.271 29.424 29.700 -0.009 0.000 0.745 308 E HN 0.620 nan 8.360 nan 0.000 0.458 309 A N 1.395 124.188 122.820 -0.044 0.000 1.897 309 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 309 A C 2.171 179.752 177.584 -0.006 0.000 1.181 309 A CA 0.777 52.768 52.037 -0.076 0.000 0.620 309 A CB -0.473 18.397 19.000 -0.217 0.000 0.821 309 A HN 0.111 nan 8.150 nan 0.000 0.443 310 I N -0.988 119.613 120.570 0.050 0.000 2.493 310 I HA -0.194 3.976 4.170 -0.000 0.000 0.254 310 I C 2.184 178.401 176.117 0.167 0.000 1.160 310 I CA 0.774 62.143 61.300 0.114 0.000 1.445 310 I CB -0.160 37.939 38.000 0.165 0.000 1.086 310 I HN 0.255 nan 8.210 nan 0.000 0.433 311 I N 1.471 122.121 120.570 0.132 0.000 2.277 311 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 311 I C 2.176 178.368 176.117 0.125 0.000 1.094 311 I CA 1.545 62.942 61.300 0.162 0.000 1.393 311 I CB -0.462 37.577 38.000 0.064 0.000 1.078 311 I HN 0.345 nan 8.210 nan 0.000 0.417 312 N N 0.042 118.779 118.700 0.061 0.000 2.461 312 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 312 N C -0.130 175.393 175.510 0.022 0.000 1.134 312 N CA 0.237 53.308 53.050 0.035 0.000 0.878 312 N CB -0.263 38.231 38.487 0.011 0.000 0.972 312 N HN 0.253 nan 8.380 nan 0.000 0.456 313 N N 0.995 119.712 118.700 0.029 0.000 2.522 313 N HA -0.142 4.598 4.740 -0.000 0.000 0.281 313 N C -0.389 175.110 175.510 -0.018 0.000 1.267 313 N CA 0.336 53.388 53.050 0.003 0.000 0.675 313 N CB -0.622 37.858 38.487 -0.012 0.000 0.890 313 N HN 0.525 nan 8.380 nan 0.000 0.542 314 Q N 0.427 120.211 119.800 -0.026 0.000 2.164 314 Q HA 0.252 4.592 4.340 -0.000 0.000 0.226 314 Q C -0.170 175.799 176.000 -0.051 0.000 0.813 314 Q CA 0.244 56.018 55.803 -0.049 0.000 0.978 314 Q CB 0.721 29.414 28.738 -0.075 0.000 1.149 314 Q HN 0.490 nan 8.270 nan 0.000 0.489 315 I N 1.358 121.910 120.570 -0.030 0.000 2.474 315 I HA 0.375 4.544 4.170 -0.000 0.000 0.294 315 I C -0.035 176.068 176.117 -0.025 0.000 1.005 315 I CA -0.554 60.741 61.300 -0.009 0.000 1.113 315 I CB 1.779 39.807 38.000 0.047 0.000 1.289 315 I HN -0.038 nan 8.210 nan 0.000 0.436 316 Q N 2.589 122.367 119.800 -0.037 0.000 2.271 316 Q HA 0.577 4.917 4.340 -0.000 0.000 0.258 316 Q C 0.393 176.352 176.000 -0.069 0.000 0.936 316 Q CA -0.016 55.735 55.803 -0.086 0.000 0.909 316 Q CB 1.952 30.619 28.738 -0.117 0.000 1.253 316 Q HN 0.944 nan 8.270 nan 0.000 0.440 317 G N 2.286 111.031 108.800 -0.091 0.000 2.598 317 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 317 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 317 G C -0.953 173.938 174.900 -0.016 0.000 1.302 317 G CA -0.702 44.358 45.100 -0.067 0.000 0.903 317 G HN 0.536 nan 8.290 nan 0.000 0.575 318 R N 0.147 120.635 120.500 -0.020 0.000 2.390 318 R HA 0.616 4.956 4.340 -0.000 0.000 0.291 318 R C 0.357 176.681 176.300 0.041 0.000 1.070 318 R CA 0.243 56.349 56.100 0.009 0.000 1.014 318 R CB 0.879 31.166 30.300 -0.022 0.000 1.007 318 R HN 0.549 nan 8.270 nan 0.000 0.466 319 T N 4.446 119.044 114.554 0.073 0.000 2.753 319 T HA 0.427 4.777 4.350 -0.000 0.000 0.297 319 T C -0.096 174.643 174.700 0.066 0.000 0.981 319 T CA -0.529 61.617 62.100 0.077 0.000 0.956 319 T CB 0.264 69.214 68.868 0.136 0.000 0.936 319 T HN 0.174 nan 8.240 nan 0.000 0.463 320 L N 3.232 124.494 121.223 0.065 0.000 2.322 320 L HA 0.642 4.982 4.340 -0.000 0.000 0.279 320 L C -0.269 176.707 176.870 0.177 0.000 1.036 320 L CA -1.205 53.724 54.840 0.148 0.000 0.807 320 L CB 1.652 43.805 42.059 0.157 0.000 1.226 320 L HN 0.282 nan 8.230 nan 0.000 0.433 321 V N 2.959 123.004 119.914 0.217 0.000 2.328 321 V HA 0.251 4.370 4.120 -0.000 0.000 0.278 321 V C 0.231 176.384 176.094 0.100 0.000 1.021 321 V CA -0.747 61.622 62.300 0.115 0.000 0.838 321 V CB 1.291 33.147 31.823 0.055 0.000 0.999 321 V HN 0.556 nan 8.190 nan 0.000 0.447 322 K N 4.684 125.026 120.400 -0.097 0.000 2.284 322 K HA 0.433 4.753 4.320 -0.000 0.000 0.287 322 K C -0.340 176.054 176.600 -0.344 0.000 1.081 322 K CA 0.025 55.985 56.287 -0.545 0.000 0.910 322 K CB 1.396 33.488 32.500 -0.679 0.000 1.088 322 K HN 0.640 nan 8.250 nan 0.000 0.478 323 V N 0.000 119.719 119.914 -0.325 0.000 2.409 323 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 323 V CA 0.000 62.186 62.300 -0.191 0.000 1.235 323 V CB 0.000 31.745 31.823 -0.129 0.000 1.184 323 V HN 0.000 nan 8.190 nan 0.000 0.556