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 1eyz_1_A DATA FIRST_RESID 2 DATA SEQUENCE TLLGTALRPA ATRVMLLGSG ELGKEVAIEC QRLGVEVIAV DRYADAPAMH DATA SEQUENCE VAHRSHVINM LDGDALRRVV ELEKPHYIVP EIEAIATDML IQLEEEGLNV DATA SEQUENCE VPCARATKLT MNREGIRRLA AEELQLPTST YRFADSESLF REAVADIGYP DATA SEQUENCE CIVKPVMSSS GKGQTFIRSA EQLAQAWKYA QQGGRAXXGR VIVEGVVKFD DATA SEQUENCE FEITLLTVSA VDGVHFCAPV GHRQEDGDYR ESWQPQQMSP LALERAQEIA DATA SEQUENCE RKVVLALGGY GLFGVELFVC GDEVIFSEVS PRPHDTGMVT LISQDLSEFA DATA SEQUENCE LHVRAFLGLP VGGIRQYGPA ASAVILPQLT SQNVTFDNVQ NAVGADLQIR DATA SEQUENCE LFGKPEIDGS RRLGVALATA ESVVDAIERA KHAAGQVKVQ G 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.703 174.700 0.005 0.000 1.109 2 T CA 0.000 62.110 62.100 0.017 0.000 1.349 2 T CB 0.000 68.874 68.868 0.010 0.000 0.612 3 L N 4.189 125.416 121.223 0.006 0.000 2.333 3 L HA 0.831 5.171 4.340 0.001 0.000 0.280 3 L C -1.594 175.270 176.870 -0.010 0.000 1.004 3 L CA -0.524 54.312 54.840 -0.006 0.000 0.820 3 L CB 0.921 42.974 42.059 -0.011 0.000 1.247 3 L HN 0.670 nan 8.230 nan 0.000 0.416 4 L N 4.832 126.048 121.223 -0.013 0.000 2.346 4 L HA 0.802 5.143 4.340 0.001 0.000 0.274 4 L C 0.717 177.577 176.870 -0.017 0.000 1.007 4 L CA -0.603 54.229 54.840 -0.013 0.000 0.818 4 L CB 1.764 43.818 42.059 -0.009 0.000 1.284 4 L HN 0.746 nan 8.230 nan 0.000 0.424 5 G N 0.685 109.471 108.800 -0.022 0.000 2.531 5 G HA2 0.524 4.484 3.960 0.001 0.000 0.281 5 G HA3 0.524 4.484 3.960 0.001 0.000 0.281 5 G C -0.732 174.164 174.900 -0.007 0.000 1.382 5 G CA -0.310 44.780 45.100 -0.017 0.000 1.045 5 G HN 0.441 nan 8.290 nan 0.000 0.533 6 T N 0.641 115.191 114.554 -0.007 0.000 2.771 6 T HA 0.572 4.923 4.350 0.001 0.000 0.281 6 T C 0.523 175.208 174.700 -0.025 0.000 0.982 6 T CA 0.039 62.135 62.100 -0.007 0.000 0.978 6 T CB 1.253 70.118 68.868 -0.005 0.000 0.930 6 T HN 0.823 nan 8.240 nan 0.000 0.447 7 A N 3.493 126.292 122.820 -0.035 0.000 2.565 7 A HA 0.441 4.762 4.320 0.001 0.000 0.237 7 A C 1.248 178.734 177.584 -0.163 0.000 1.053 7 A CA 0.134 52.088 52.037 -0.138 0.000 0.755 7 A CB -0.725 18.145 19.000 -0.216 0.000 0.980 7 A HN 1.179 nan 8.150 nan 0.000 0.506 8 L N -0.627 120.477 121.223 -0.198 0.000 4.800 8 L HA -0.186 4.155 4.340 0.001 0.000 0.400 8 L C 0.662 177.497 176.870 -0.058 0.000 0.857 8 L CA 0.902 55.663 54.840 -0.133 0.000 1.908 8 L CB -1.361 40.627 42.059 -0.118 0.000 1.598 8 L HN 0.785 nan 8.230 nan 0.000 0.593 9 R N 0.438 120.913 120.500 -0.042 0.000 2.596 9 R HA 0.430 4.770 4.340 0.001 0.000 0.267 9 R C -1.413 174.883 176.300 -0.008 0.000 1.026 9 R CA -2.134 53.955 56.100 -0.019 0.000 1.087 9 R CB -0.259 30.034 30.300 -0.013 0.000 1.132 9 R HN -0.240 nan 8.270 nan 0.000 0.531 10 P HA -0.124 nan 4.420 nan 0.000 0.216 10 P C 0.572 177.884 177.300 0.019 0.000 1.150 10 P CA 1.605 64.710 63.100 0.009 0.000 0.843 10 P CB 0.139 31.843 31.700 0.006 0.000 0.787 11 A N -1.208 121.618 122.820 0.011 0.000 2.302 11 A HA 0.472 4.793 4.320 0.001 0.000 0.219 11 A C 1.041 178.628 177.584 0.005 0.000 1.243 11 A CA 0.053 52.096 52.037 0.009 0.000 0.856 11 A CB -1.110 17.888 19.000 -0.003 0.000 0.893 11 A HN 0.225 nan 8.150 nan 0.000 0.491 12 A N 0.109 122.942 122.820 0.020 0.000 2.586 12 A HA 0.380 4.701 4.320 0.001 0.000 0.231 12 A C 0.562 178.178 177.584 0.052 0.000 1.055 12 A CA 0.697 52.748 52.037 0.024 0.000 0.756 12 A CB -0.210 18.797 19.000 0.012 0.000 0.988 12 A HN 0.346 nan 8.150 nan 0.000 0.509 13 T N 3.347 117.924 114.554 0.037 0.000 2.744 13 T HA 0.443 4.794 4.350 0.001 0.000 0.291 13 T C 0.112 174.960 174.700 0.248 0.000 0.957 13 T CA -0.111 62.019 62.100 0.050 0.000 1.002 13 T CB 0.332 69.223 68.868 0.039 0.000 0.919 13 T HN 0.599 nan 8.240 nan 0.000 0.468 14 R N 2.176 123.001 120.500 0.541 0.000 2.387 14 R HA 0.639 4.980 4.340 0.001 0.000 0.314 14 R C -1.083 175.426 176.300 0.348 0.000 0.958 14 R CA -0.716 55.588 56.100 0.339 0.000 0.846 14 R CB 1.754 32.159 30.300 0.174 0.000 1.147 14 R HN 0.352 nan 8.270 nan 0.000 0.447 15 V N 4.715 124.786 119.914 0.262 0.000 2.448 15 V HA 0.361 4.482 4.120 0.001 0.000 0.295 15 V C -0.211 175.965 176.094 0.136 0.000 1.025 15 V CA -0.651 61.789 62.300 0.234 0.000 0.859 15 V CB 1.760 33.724 31.823 0.234 0.000 0.988 15 V HN 0.721 nan 8.190 nan 0.000 0.431 16 M N 6.370 126.023 119.600 0.087 0.000 2.149 16 M HA 0.560 5.040 4.480 0.001 0.000 0.342 16 M C -1.520 174.793 176.300 0.022 0.000 1.068 16 M CA -0.483 54.848 55.300 0.052 0.000 0.991 16 M CB 0.991 33.609 32.600 0.030 0.000 1.596 16 M HN 0.499 nan 8.290 nan 0.000 0.439 17 L N 6.555 127.794 121.223 0.027 0.000 2.257 17 L HA 0.402 4.742 4.340 0.001 0.000 0.290 17 L C -0.796 176.074 176.870 0.001 0.000 1.044 17 L CA -0.451 54.395 54.840 0.010 0.000 0.810 17 L CB 1.140 43.207 42.059 0.012 0.000 1.193 17 L HN 0.732 nan 8.230 nan 0.000 0.425 18 L N 4.534 125.752 121.223 -0.009 0.000 2.314 18 L HA 0.537 4.878 4.340 0.001 0.000 0.275 18 L C 0.302 177.165 176.870 -0.012 0.000 1.068 18 L CA -0.268 54.566 54.840 -0.010 0.000 0.894 18 L CB 0.705 42.755 42.059 -0.014 0.000 1.275 18 L HN 0.884 nan 8.230 nan 0.000 0.432 19 G N 1.332 110.121 108.800 -0.018 0.000 3.438 19 G HA2 -0.138 3.822 3.960 0.001 0.000 0.684 19 G HA3 -0.138 3.822 3.960 0.001 0.000 0.684 19 G C -0.230 174.647 174.900 -0.039 0.000 1.192 19 G CA -0.762 44.326 45.100 -0.021 0.000 1.013 19 G HN 0.385 nan 8.290 nan 0.000 0.530 20 S N 1.278 116.938 115.700 -0.067 0.000 2.581 20 S HA 0.547 5.017 4.470 0.001 0.000 0.245 20 S C 1.311 175.853 174.600 -0.097 0.000 1.115 20 S CA 0.234 58.379 58.200 -0.091 0.000 1.093 20 S CB 0.583 63.706 63.200 -0.128 0.000 0.853 20 S HN 1.343 nan 8.310 nan 0.000 0.479 21 G N 1.982 110.738 108.800 -0.073 0.000 2.516 21 G HA2 0.199 4.159 3.960 0.001 0.000 0.276 21 G HA3 0.199 4.159 3.960 0.001 0.000 0.276 21 G C 0.992 175.758 174.900 -0.224 0.000 1.390 21 G CA -0.343 44.705 45.100 -0.086 0.000 1.050 21 G HN 0.393 nan 8.290 nan 0.000 0.519 22 E N -0.521 119.441 120.200 -0.396 0.000 2.160 22 E HA -0.154 4.197 4.350 0.001 0.000 0.195 22 E C 2.302 178.570 176.600 -0.554 0.000 0.991 22 E CA 0.968 56.930 56.400 -0.730 0.000 0.810 22 E CB -0.336 28.322 29.700 -1.738 0.000 0.742 22 E HN 0.491 nan 8.360 nan 0.000 0.466 23 L N 0.697 121.726 121.223 -0.324 0.000 2.044 23 L HA 0.016 4.357 4.340 0.001 0.000 0.205 23 L C 2.828 179.590 176.870 -0.179 0.000 1.075 23 L CA 1.271 56.023 54.840 -0.148 0.000 0.747 23 L CB -0.925 41.186 42.059 0.087 0.000 0.903 23 L HN 0.240 nan 8.230 nan 0.000 0.435 24 G N -0.004 108.721 108.800 -0.125 0.000 2.422 24 G HA2 -0.267 3.693 3.960 0.001 0.000 0.218 24 G HA3 -0.267 3.693 3.960 0.001 0.000 0.218 24 G C 1.689 176.507 174.900 -0.138 0.000 1.146 24 G CA 0.585 45.640 45.100 -0.076 0.000 0.769 24 G HN 0.248 nan 8.290 nan 0.000 0.547 25 K N 0.159 120.424 120.400 -0.225 0.000 2.074 25 K HA -0.136 4.185 4.320 0.001 0.000 0.209 25 K C 2.310 178.753 176.600 -0.261 0.000 1.048 25 K CA 1.396 57.547 56.287 -0.227 0.000 0.926 25 K CB -0.049 32.293 32.500 -0.263 0.000 0.713 25 K HN 0.183 nan 8.250 nan 0.000 0.444 26 E N 0.196 120.113 120.200 -0.471 0.000 2.152 26 E HA -0.103 4.248 4.350 0.001 0.000 0.192 26 E C 2.065 178.533 176.600 -0.220 0.000 0.983 26 E CA 0.673 56.754 56.400 -0.532 0.000 0.818 26 E CB 0.030 28.942 29.700 -1.313 0.000 0.758 26 E HN 0.131 nan 8.360 nan 0.000 0.467 27 V N 1.600 121.457 119.914 -0.096 0.000 2.358 27 V HA -0.237 3.884 4.120 0.001 0.000 0.246 27 V C 2.463 178.594 176.094 0.062 0.000 1.047 27 V CA 1.706 64.078 62.300 0.120 0.000 1.035 27 V CB -0.810 31.161 31.823 0.246 0.000 0.658 27 V HN 0.220 nan 8.190 nan 0.000 0.452 28 A N 0.117 122.939 122.820 0.002 0.000 1.883 28 A HA -0.210 4.110 4.320 0.001 0.000 0.217 28 A C 2.179 179.753 177.584 -0.016 0.000 1.186 28 A CA 2.115 54.151 52.037 -0.001 0.000 0.624 28 A CB -0.577 18.401 19.000 -0.037 0.000 0.822 28 A HN 0.506 nan 8.150 nan 0.000 0.444 29 I N -0.299 120.244 120.570 -0.044 0.000 2.179 29 I HA -0.229 3.942 4.170 0.001 0.000 0.242 29 I C 2.393 178.501 176.117 -0.014 0.000 1.088 29 I CA 1.376 62.653 61.300 -0.038 0.000 1.357 29 I CB -0.377 37.589 38.000 -0.055 0.000 1.051 29 I HN 0.298 nan 8.210 nan 0.000 0.409 30 E N 0.198 120.397 120.200 -0.001 0.000 2.153 30 E HA -0.188 4.163 4.350 0.001 0.000 0.194 30 E C 2.373 178.966 176.600 -0.012 0.000 0.988 30 E CA 1.168 57.570 56.400 0.002 0.000 0.811 30 E CB -0.474 29.241 29.700 0.024 0.000 0.746 30 E HN 0.551 nan 8.360 nan 0.000 0.466 31 C N 1.094 120.401 119.300 0.010 0.000 2.453 31 C HA -0.064 4.396 4.460 0.001 0.000 0.277 31 C C 2.618 177.630 174.990 0.038 0.000 1.262 31 C CA 0.327 59.359 59.018 0.024 0.000 1.718 31 C CB -0.621 27.170 27.740 0.086 0.000 2.031 31 C HN 0.441 nan 8.230 nan 0.000 0.480 32 Q N 0.528 120.350 119.800 0.036 0.000 2.181 32 Q HA -0.158 4.182 4.340 0.001 0.000 0.205 32 Q C 2.173 178.190 176.000 0.028 0.000 0.980 32 Q CA 1.274 57.101 55.803 0.040 0.000 0.862 32 Q CB -0.421 28.307 28.738 -0.017 0.000 0.905 32 Q HN 0.674 nan 8.270 nan 0.000 0.429 33 R N -0.011 120.494 120.500 0.008 0.000 2.237 33 R HA 0.017 4.358 4.340 0.001 0.000 0.219 33 R C 1.611 177.911 176.300 -0.000 0.000 1.080 33 R CA 0.502 56.604 56.100 0.003 0.000 0.995 33 R CB 0.099 30.396 30.300 -0.005 0.000 0.875 33 R HN 0.180 nan 8.270 nan 0.000 0.462 34 L N -0.809 120.413 121.223 -0.001 0.000 2.728 34 L HA 0.266 4.607 4.340 0.001 0.000 0.238 34 L C 0.773 177.651 176.870 0.013 0.000 1.143 34 L CA -0.036 54.799 54.840 -0.009 0.000 0.937 34 L CB 0.850 42.887 42.059 -0.037 0.000 1.225 34 L HN 0.329 nan 8.230 nan 0.000 0.507 35 G N 0.852 109.676 108.800 0.039 0.000 2.198 35 G HA2 -0.251 3.710 3.960 0.001 0.000 0.260 35 G HA3 -0.251 3.710 3.960 0.001 0.000 0.260 35 G C 0.174 175.116 174.900 0.071 0.000 1.025 35 G CA 0.167 45.303 45.100 0.060 0.000 0.769 35 G HN 0.134 nan 8.290 nan 0.000 0.507 36 V N 0.409 120.376 119.914 0.088 0.000 2.530 36 V HA 0.347 4.468 4.120 0.001 0.000 0.282 36 V C 0.899 177.098 176.094 0.175 0.000 1.048 36 V CA -0.203 62.160 62.300 0.105 0.000 0.997 36 V CB 1.706 33.583 31.823 0.090 0.000 0.987 36 V HN 0.495 nan 8.190 nan 0.000 0.477 37 E N 3.737 124.008 120.200 0.117 0.000 2.338 37 E HA 0.416 4.767 4.350 0.001 0.000 0.272 37 E C -1.303 175.444 176.600 0.245 0.000 1.029 37 E CA -0.347 56.095 56.400 0.071 0.000 0.872 37 E CB 1.308 30.951 29.700 -0.095 0.000 1.015 37 E HN 0.473 nan 8.360 nan 0.000 0.417 38 V N 6.179 126.368 119.914 0.459 0.000 2.531 38 V HA 0.342 4.463 4.120 0.001 0.000 0.301 38 V C -0.628 175.578 176.094 0.186 0.000 1.034 38 V CA -0.735 61.718 62.300 0.255 0.000 0.865 38 V CB 1.417 33.334 31.823 0.157 0.000 0.995 38 V HN 0.563 nan 8.190 nan 0.000 0.424 39 I N 4.389 125.032 120.570 0.122 0.000 2.355 39 I HA 0.703 4.873 4.170 0.001 0.000 0.288 39 I C 0.422 176.572 176.117 0.055 0.000 0.999 39 I CA -0.171 61.180 61.300 0.086 0.000 1.163 39 I CB 1.765 39.834 38.000 0.116 0.000 1.316 39 I HN 0.650 nan 8.210 nan 0.000 0.454 40 A N 6.415 129.240 122.820 0.009 0.000 2.292 40 A HA 0.862 5.182 4.320 0.001 0.000 0.319 40 A C -0.515 177.060 177.584 -0.016 0.000 1.206 40 A CA -0.509 51.523 52.037 -0.010 0.000 0.835 40 A CB 0.815 19.793 19.000 -0.036 0.000 1.164 40 A HN 0.454 nan 8.150 nan 0.000 0.505 41 V N 2.751 122.663 119.914 -0.003 0.000 2.680 41 V HA 0.657 4.778 4.120 0.001 0.000 0.309 41 V C -0.385 175.683 176.094 -0.043 0.000 1.052 41 V CA -0.510 61.794 62.300 0.005 0.000 0.908 41 V CB 1.876 33.724 31.823 0.042 0.000 1.001 41 V HN 1.052 nan 8.190 nan 0.000 0.431 42 D N 1.395 121.757 120.400 -0.063 0.000 2.779 42 D HA 0.353 4.994 4.640 0.001 0.000 0.331 42 D C -0.097 176.177 176.300 -0.043 0.000 1.331 42 D CA -0.619 53.327 54.000 -0.091 0.000 0.866 42 D CB 2.182 42.828 40.800 -0.257 0.000 1.409 42 D HN 0.331 nan 8.370 nan 0.000 0.486 43 R N -0.110 120.405 120.500 0.024 0.000 2.334 43 R HA 0.186 4.526 4.340 0.001 0.000 0.216 43 R C -0.640 175.775 176.300 0.190 0.000 0.905 43 R CA 0.433 56.596 56.100 0.105 0.000 1.064 43 R CB -0.544 29.830 30.300 0.123 0.000 1.046 43 R HN 0.392 nan 8.270 nan 0.000 0.508 44 Y N -4.148 116.166 120.300 0.022 0.000 2.597 44 Y HA 0.797 5.348 4.550 0.001 0.000 0.340 44 Y C -0.848 175.070 175.900 0.030 0.000 1.097 44 Y CA -1.835 56.280 58.100 0.025 0.000 1.037 44 Y CB 0.662 39.137 38.460 0.025 0.000 1.305 44 Y HN -0.092 nan 8.280 nan 0.000 0.463 45 A N 1.191 124.059 122.820 0.080 0.000 2.304 45 A HA 0.495 4.816 4.320 0.001 0.000 0.271 45 A C 0.032 177.631 177.584 0.026 0.000 1.091 45 A CA 0.230 52.264 52.037 -0.005 0.000 0.812 45 A CB -0.394 18.627 19.000 0.033 0.000 1.056 45 A HN 0.986 nan 8.150 nan 0.000 0.489 46 D N -1.632 118.760 120.400 -0.015 0.000 2.911 46 D HA -0.165 4.476 4.640 0.001 0.000 0.227 46 D C 0.426 176.858 176.300 0.221 0.000 1.164 46 D CA 1.453 55.494 54.000 0.067 0.000 0.782 46 D CB -1.896 38.955 40.800 0.084 0.000 1.094 46 D HN 1.072 nan 8.370 nan 0.000 0.425 47 A N -0.012 122.762 122.820 -0.077 0.000 2.498 47 A HA 0.353 4.673 4.320 0.001 0.000 0.239 47 A C -0.795 176.803 177.584 0.023 0.000 1.068 47 A CA -0.576 51.363 52.037 -0.164 0.000 0.766 47 A CB 0.370 18.977 19.000 -0.655 0.000 1.003 47 A HN -0.062 nan 8.150 nan 0.000 0.497 48 P HA -0.358 nan 4.420 nan 0.000 0.219 48 P C 1.653 178.863 177.300 -0.150 0.000 1.159 48 P CA 3.163 66.095 63.100 -0.279 0.000 0.944 48 P CB 0.016 31.593 31.700 -0.204 0.000 0.792 49 A N -1.623 121.137 122.820 -0.100 0.000 2.024 49 A HA -0.206 4.114 4.320 0.001 0.000 0.220 49 A C 2.168 179.745 177.584 -0.010 0.000 1.164 49 A CA 2.093 54.089 52.037 -0.068 0.000 0.643 49 A CB -1.424 17.528 19.000 -0.079 0.000 0.806 49 A HN 0.180 nan 8.150 nan 0.000 0.451 50 M N -1.305 118.312 119.600 0.028 0.000 2.279 50 M HA -0.140 4.340 4.480 0.001 0.000 0.264 50 M C 1.851 178.187 176.300 0.060 0.000 1.062 50 M CA 1.221 56.534 55.300 0.021 0.000 1.099 50 M CB -0.672 31.918 32.600 -0.016 0.000 1.394 50 M HN 0.547 nan 8.290 nan 0.000 0.426 51 H N -0.491 118.538 119.070 -0.068 0.000 2.421 51 H HA -0.068 4.488 4.556 0.001 0.000 0.298 51 H C 1.590 176.876 175.328 -0.070 0.000 1.087 51 H CA 1.603 57.619 56.048 -0.053 0.000 1.330 51 H CB 0.110 29.855 29.762 -0.028 0.000 1.388 51 H HN 0.390 nan 8.280 nan 0.000 0.526 52 V N -1.889 118.051 119.914 0.043 0.000 3.121 52 V HA 0.615 4.736 4.120 0.001 0.000 0.344 52 V C 0.534 176.557 176.094 -0.119 0.000 1.390 52 V CA -0.242 62.031 62.300 -0.044 0.000 1.177 52 V CB -0.021 31.777 31.823 -0.042 0.000 1.163 52 V HN 0.245 nan 8.190 nan 0.000 0.484 53 A N -0.615 122.139 122.820 -0.111 0.000 2.311 53 A HA 0.737 5.057 4.320 0.001 0.000 0.334 53 A C 0.617 178.090 177.584 -0.186 0.000 1.139 53 A CA -0.339 51.615 52.037 -0.137 0.000 0.830 53 A CB 0.743 19.709 19.000 -0.056 0.000 1.234 53 A HN 0.485 nan 8.150 nan 0.000 0.483 54 H N 0.087 119.152 119.070 -0.010 0.000 2.357 54 H HA 0.063 4.619 4.556 0.000 0.000 0.301 54 H C 0.594 175.898 175.328 -0.040 0.000 1.082 54 H CA 1.756 57.795 56.048 -0.014 0.000 1.342 54 H CB 0.138 29.902 29.762 0.003 0.000 1.389 54 H HN 0.552 nan 8.280 nan 0.000 0.511 55 R N -0.715 119.816 120.500 0.052 0.000 2.739 55 R HA 0.523 4.864 4.340 0.001 0.000 0.271 55 R C -1.214 174.986 176.300 -0.168 0.000 1.010 55 R CA -0.644 55.413 56.100 -0.072 0.000 0.897 55 R CB 2.670 32.926 30.300 -0.074 0.000 1.236 55 R HN -0.022 nan 8.270 nan 0.000 0.466 56 S N 0.579 116.088 115.700 -0.319 0.000 2.569 56 S HA 0.592 5.062 4.470 0.001 0.000 0.280 56 S C -1.376 172.851 174.600 -0.621 0.000 1.111 56 S CA -0.953 57.042 58.200 -0.340 0.000 0.887 56 S CB 1.750 64.838 63.200 -0.188 0.000 1.095 56 S HN 0.450 nan 8.310 nan 0.000 0.476 57 H N 0.031 119.083 119.070 -0.030 0.000 2.851 57 H HA 0.539 5.096 4.556 0.001 0.000 0.372 57 H C -1.377 173.927 175.328 -0.041 0.000 1.158 57 H CA -0.583 55.448 56.048 -0.029 0.000 1.159 57 H CB 1.764 31.513 29.762 -0.022 0.000 1.757 57 H HN 0.340 nan 8.280 nan 0.000 0.546 58 V N 4.806 124.781 119.914 0.101 0.000 2.350 58 V HA 0.382 4.502 4.120 0.001 0.000 0.285 58 V C 0.404 176.527 176.094 0.048 0.000 1.014 58 V CA -0.465 61.859 62.300 0.041 0.000 0.831 58 V CB 0.825 32.660 31.823 0.021 0.000 1.000 58 V HN 0.618 nan 8.190 nan 0.000 0.433 59 I N 1.174 121.764 120.570 0.034 0.000 3.467 59 I HA 0.685 4.855 4.170 0.001 0.000 0.314 59 I C -0.615 175.513 176.117 0.019 0.000 1.177 59 I CA -1.030 60.283 61.300 0.021 0.000 0.943 59 I CB 2.289 40.292 38.000 0.004 0.000 1.338 59 I HN 0.358 nan 8.210 nan 0.000 0.482 60 N N 2.121 120.827 118.700 0.011 0.000 2.437 60 N HA 0.361 5.102 4.740 0.001 0.000 0.243 60 N C 0.165 175.677 175.510 0.005 0.000 1.041 60 N CA -0.294 52.763 53.050 0.011 0.000 0.940 60 N CB 1.006 39.497 38.487 0.006 0.000 1.133 60 N HN 0.763 nan 8.380 nan 0.000 0.506 61 M N 2.887 122.492 119.600 0.008 0.000 2.557 61 M HA -0.022 4.458 4.480 0.001 0.000 0.259 61 M C 1.281 177.579 176.300 -0.003 0.000 1.086 61 M CA 0.805 56.106 55.300 0.002 0.000 1.096 61 M CB 0.255 32.858 32.600 0.005 0.000 1.424 61 M HN 0.456 nan 8.290 nan 0.000 0.488 62 L N -0.516 120.706 121.223 -0.001 0.000 2.529 62 L HA 0.046 4.386 4.340 0.001 0.000 0.223 62 L C 0.519 177.385 176.870 -0.007 0.000 1.113 62 L CA 0.004 54.841 54.840 -0.004 0.000 0.861 62 L CB 0.071 42.129 42.059 -0.003 0.000 1.012 62 L HN 0.088 nan 8.230 nan 0.000 0.461 63 D N -0.004 120.392 120.400 -0.007 0.000 2.365 63 D HA 0.108 4.748 4.640 0.001 0.000 0.237 63 D C 1.214 177.505 176.300 -0.015 0.000 1.190 63 D CA 0.055 54.048 54.000 -0.010 0.000 0.867 63 D CB 1.781 42.575 40.800 -0.009 0.000 1.050 63 D HN 0.098 nan 8.370 nan 0.000 0.491 64 G N 3.589 112.380 108.800 -0.016 0.000 2.442 64 G HA2 -0.271 3.689 3.960 0.001 0.000 0.219 64 G HA3 -0.271 3.689 3.960 0.001 0.000 0.219 64 G C 1.117 176.003 174.900 -0.023 0.000 1.141 64 G CA 0.474 45.562 45.100 -0.019 0.000 0.763 64 G HN 0.502 nan 8.290 nan 0.000 0.554 65 D N 1.070 121.457 120.400 -0.022 0.000 2.123 65 D HA -0.019 4.621 4.640 0.001 0.000 0.200 65 D C 2.845 179.126 176.300 -0.031 0.000 0.976 65 D CA 1.130 55.114 54.000 -0.025 0.000 0.831 65 D CB -0.410 40.377 40.800 -0.021 0.000 0.974 65 D HN 0.323 nan 8.370 nan 0.000 0.469 66 A N 1.076 123.879 122.820 -0.028 0.000 1.933 66 A HA -0.147 4.174 4.320 0.001 0.000 0.218 66 A C 2.167 179.726 177.584 -0.043 0.000 1.175 66 A CA 0.920 52.937 52.037 -0.033 0.000 0.628 66 A CB -0.635 18.351 19.000 -0.023 0.000 0.814 66 A HN 0.188 nan 8.150 nan 0.000 0.444 67 L N 0.132 121.334 121.223 -0.036 0.000 2.027 67 L HA -0.111 4.230 4.340 0.001 0.000 0.206 67 L C 2.529 179.370 176.870 -0.048 0.000 1.074 67 L CA 2.507 57.324 54.840 -0.038 0.000 0.745 67 L CB -0.700 41.342 42.059 -0.030 0.000 0.898 67 L HN 0.535 nan 8.230 nan 0.000 0.433 68 R N -0.818 119.655 120.500 -0.044 0.000 2.096 68 R HA -0.198 4.142 4.340 0.001 0.000 0.235 68 R C 2.406 178.671 176.300 -0.058 0.000 1.127 68 R CA 1.612 57.683 56.100 -0.048 0.000 0.968 68 R CB -0.263 30.013 30.300 -0.040 0.000 0.861 68 R HN 0.247 nan 8.270 nan 0.000 0.440 69 R N -0.138 120.326 120.500 -0.061 0.000 2.073 69 R HA -0.098 4.242 4.340 0.001 0.000 0.234 69 R C 2.311 178.547 176.300 -0.106 0.000 1.134 69 R CA 1.652 57.707 56.100 -0.074 0.000 0.952 69 R CB -0.488 29.770 30.300 -0.071 0.000 0.850 69 R HN 0.175 nan 8.270 nan 0.000 0.433 70 V N -0.050 119.790 119.914 -0.124 0.000 2.453 70 V HA -0.151 3.970 4.120 0.001 0.000 0.247 70 V C 1.887 177.902 176.094 -0.132 0.000 1.048 70 V CA 1.503 63.692 62.300 -0.185 0.000 1.049 70 V CB 0.108 31.806 31.823 -0.209 0.000 0.672 70 V HN 0.172 nan 8.190 nan 0.000 0.457 71 V N 0.247 120.107 119.914 -0.091 0.000 2.427 71 V HA -0.217 3.903 4.120 0.001 0.000 0.248 71 V C 2.417 178.463 176.094 -0.081 0.000 1.051 71 V CA 2.320 64.575 62.300 -0.076 0.000 1.048 71 V CB -0.629 31.154 31.823 -0.066 0.000 0.666 71 V HN 0.656 nan 8.190 nan 0.000 0.456 72 E N -0.116 120.037 120.200 -0.078 0.000 2.106 72 E HA -0.216 4.134 4.350 0.001 0.000 0.192 72 E C 2.140 178.697 176.600 -0.072 0.000 0.984 72 E CA 1.208 57.566 56.400 -0.071 0.000 0.806 72 E CB -0.206 29.458 29.700 -0.060 0.000 0.750 72 E HN 0.458 nan 8.360 nan 0.000 0.458 73 L N 1.377 122.548 121.223 -0.087 0.000 2.046 73 L HA -0.148 4.193 4.340 0.001 0.000 0.208 73 L C 1.867 178.701 176.870 -0.060 0.000 1.077 73 L CA 1.805 56.596 54.840 -0.083 0.000 0.747 73 L CB 0.030 42.008 42.059 -0.135 0.000 0.896 73 L HN -0.053 nan 8.230 nan 0.000 0.432 74 E N -0.045 120.118 120.200 -0.061 0.000 2.415 74 E HA -0.016 4.334 4.350 0.001 0.000 0.197 74 E C 0.148 176.715 176.600 -0.056 0.000 1.007 74 E CA 0.163 56.549 56.400 -0.023 0.000 0.890 74 E CB 0.198 29.912 29.700 0.022 0.000 0.891 74 E HN 0.455 nan 8.360 nan 0.000 0.496 75 K N 1.290 121.636 120.400 -0.089 0.000 3.278 75 K HA -0.151 4.170 4.320 0.001 0.000 0.270 75 K C -2.459 173.999 176.600 -0.236 0.000 0.955 75 K CA 0.243 56.442 56.287 -0.146 0.000 0.723 75 K CB -1.381 31.037 32.500 -0.137 0.000 1.382 75 K HN 0.223 nan 8.250 nan 0.000 0.461 76 P HA -0.025 nan 4.420 nan 0.000 0.272 76 P C 0.103 177.212 177.300 -0.318 0.000 1.230 76 P CA 0.189 63.190 63.100 -0.166 0.000 0.788 76 P CB 0.537 32.211 31.700 -0.044 0.000 0.949 77 H N -0.385 118.659 119.070 -0.043 0.000 2.448 77 H HA 0.112 4.669 4.556 0.001 0.000 0.292 77 H C -0.006 175.047 175.328 -0.458 0.000 1.035 77 H CA 1.347 57.255 56.048 -0.233 0.000 1.349 77 H CB -0.232 29.383 29.762 -0.244 0.000 1.425 77 H HN 0.405 nan 8.280 nan 0.000 0.539 78 Y N -0.404 119.927 120.300 0.051 0.000 2.462 78 Y HA 0.433 4.984 4.550 0.001 0.000 0.346 78 Y C -0.901 174.930 175.900 -0.115 0.000 0.976 78 Y CA -1.192 56.870 58.100 -0.063 0.000 1.044 78 Y CB 1.661 40.038 38.460 -0.138 0.000 1.230 78 Y HN -0.167 nan 8.280 nan 0.000 0.455 79 I N 3.345 123.913 120.570 -0.002 0.000 2.382 79 I HA 0.416 4.587 4.170 0.001 0.000 0.286 79 I C -0.963 175.091 176.117 -0.104 0.000 1.002 79 I CA -0.630 60.643 61.300 -0.044 0.000 1.135 79 I CB 1.424 39.398 38.000 -0.044 0.000 1.288 79 I HN 0.269 nan 8.210 nan 0.000 0.448 80 V N 8.398 128.241 119.914 -0.119 0.000 2.284 80 V HA 0.357 4.478 4.120 0.001 0.000 0.274 80 V C -2.314 173.752 176.094 -0.047 0.000 1.023 80 V CA -1.655 60.559 62.300 -0.144 0.000 0.808 80 V CB 0.825 32.511 31.823 -0.228 0.000 1.035 80 V HN 0.507 nan 8.190 nan 0.000 0.445 81 P HA 0.242 nan 4.420 nan 0.000 0.280 81 P C 0.486 177.777 177.300 -0.016 0.000 1.244 81 P CA -0.030 63.056 63.100 -0.023 0.000 0.784 81 P CB 1.434 33.119 31.700 -0.026 0.000 0.913 82 E N 2.763 122.953 120.200 -0.016 0.000 2.389 82 E HA 0.069 4.419 4.350 0.001 0.000 0.199 82 E C 0.630 177.211 176.600 -0.031 0.000 0.978 82 E CA 0.244 56.632 56.400 -0.021 0.000 0.912 82 E CB 0.273 29.963 29.700 -0.017 0.000 0.907 82 E HN 0.473 nan 8.360 nan 0.000 0.494 83 I N -3.064 117.493 120.570 -0.023 0.000 3.206 83 I HA 0.407 4.578 4.170 0.001 0.000 0.313 83 I C 0.521 176.627 176.117 -0.018 0.000 1.103 83 I CA -0.841 60.447 61.300 -0.021 0.000 0.985 83 I CB 1.770 39.765 38.000 -0.008 0.000 1.240 83 I HN -0.268 nan 8.210 nan 0.000 0.464 84 E N 1.482 121.673 120.200 -0.016 0.000 2.170 84 E HA 0.147 4.497 4.350 0.001 0.000 0.191 84 E C 1.110 177.705 176.600 -0.008 0.000 0.981 84 E CA 0.648 57.041 56.400 -0.010 0.000 0.830 84 E CB 0.172 29.867 29.700 -0.009 0.000 0.775 84 E HN 0.736 nan 8.360 nan 0.000 0.470 85 A N 2.022 124.838 122.820 -0.007 0.000 3.052 85 A HA 0.148 4.468 4.320 0.001 0.000 0.266 85 A C -0.205 177.377 177.584 -0.004 0.000 1.855 85 A CA 0.431 52.464 52.037 -0.006 0.000 1.473 85 A CB -0.680 18.318 19.000 -0.003 0.000 1.038 85 A HN 0.090 nan 8.150 nan 0.000 0.619 86 I N -0.213 120.353 120.570 -0.007 0.000 2.865 86 I HA 0.339 4.510 4.170 0.001 0.000 0.302 86 I C 0.699 176.810 176.117 -0.010 0.000 1.140 86 I CA -0.743 60.552 61.300 -0.008 0.000 1.021 86 I CB 1.897 39.891 38.000 -0.011 0.000 1.233 86 I HN 0.330 nan 8.210 nan 0.000 0.427 87 A N 2.758 125.571 122.820 -0.012 0.000 3.125 87 A HA 0.116 4.436 4.320 0.001 0.000 0.272 87 A C 1.573 179.148 177.584 -0.015 0.000 1.976 87 A CA 0.530 52.559 52.037 -0.013 0.000 1.502 87 A CB -1.196 17.795 19.000 -0.015 0.000 0.959 87 A HN 0.899 nan 8.150 nan 0.000 0.608 88 T N -1.688 112.858 114.554 -0.013 0.000 2.897 88 T HA -0.188 4.163 4.350 0.001 0.000 0.271 88 T C 1.112 175.804 174.700 -0.014 0.000 1.084 88 T CA 1.765 63.857 62.100 -0.013 0.000 1.123 88 T CB -0.284 68.579 68.868 -0.009 0.000 0.865 88 T HN 0.476 nan 8.240 nan 0.000 0.496 89 D N 0.646 121.037 120.400 -0.014 0.000 2.144 89 D HA 0.008 4.649 4.640 0.001 0.000 0.200 89 D C 1.870 178.159 176.300 -0.018 0.000 0.978 89 D CA 1.028 55.019 54.000 -0.015 0.000 0.833 89 D CB -0.348 40.443 40.800 -0.014 0.000 0.961 89 D HN 0.403 nan 8.370 nan 0.000 0.470 90 M N 0.118 119.706 119.600 -0.019 0.000 2.254 90 M HA 0.000 4.481 4.480 0.001 0.000 0.265 90 M C 1.722 178.007 176.300 -0.025 0.000 1.066 90 M CA 1.051 56.337 55.300 -0.023 0.000 1.123 90 M CB -0.256 32.330 32.600 -0.024 0.000 1.388 90 M HN -0.069 nan 8.290 nan 0.000 0.425 91 L N -0.669 120.539 121.223 -0.024 0.000 2.083 91 L HA -0.213 4.128 4.340 0.001 0.000 0.209 91 L C 2.331 179.185 176.870 -0.026 0.000 1.083 91 L CA 1.222 56.047 54.840 -0.027 0.000 0.752 91 L CB -0.755 41.290 42.059 -0.024 0.000 0.899 91 L HN 0.325 nan 8.230 nan 0.000 0.433 92 I N -0.895 119.662 120.570 -0.022 0.000 2.163 92 I HA -0.297 3.874 4.170 0.001 0.000 0.243 92 I C 2.766 178.869 176.117 -0.024 0.000 1.085 92 I CA 1.013 62.300 61.300 -0.021 0.000 1.347 92 I CB -0.294 37.696 38.000 -0.017 0.000 1.044 92 I HN 0.332 nan 8.210 nan 0.000 0.408 93 Q N 0.704 120.489 119.800 -0.024 0.000 2.030 93 Q HA -0.162 4.179 4.340 0.001 0.000 0.204 93 Q C 2.368 178.349 176.000 -0.031 0.000 0.986 93 Q CA 1.783 57.570 55.803 -0.026 0.000 0.843 93 Q CB -0.619 28.104 28.738 -0.025 0.000 0.904 93 Q HN 0.506 nan 8.270 nan 0.000 0.420 94 L N 0.453 121.655 121.223 -0.035 0.000 2.042 94 L HA -0.223 4.118 4.340 0.001 0.000 0.210 94 L C 2.497 179.340 176.870 -0.045 0.000 1.076 94 L CA 1.637 56.452 54.840 -0.042 0.000 0.749 94 L CB -0.504 41.527 42.059 -0.046 0.000 0.893 94 L HN 0.360 nan 8.230 nan 0.000 0.432 95 E N 0.493 120.669 120.200 -0.041 0.000 2.085 95 E HA -0.252 4.098 4.350 0.001 0.000 0.194 95 E C 1.961 178.537 176.600 -0.040 0.000 0.994 95 E CA 1.525 57.900 56.400 -0.042 0.000 0.801 95 E CB 0.056 29.735 29.700 -0.035 0.000 0.743 95 E HN 0.529 nan 8.360 nan 0.000 0.453 96 E N 0.389 120.569 120.200 -0.033 0.000 2.110 96 E HA -0.191 4.160 4.350 0.001 0.000 0.193 96 E C 1.712 178.293 176.600 -0.033 0.000 0.988 96 E CA 0.990 57.371 56.400 -0.030 0.000 0.804 96 E CB -0.127 29.557 29.700 -0.025 0.000 0.745 96 E HN 0.394 nan 8.360 nan 0.000 0.458 97 E N -0.276 119.902 120.200 -0.036 0.000 2.533 97 E HA -0.034 4.317 4.350 0.001 0.000 0.201 97 E C 0.912 177.485 176.600 -0.044 0.000 1.097 97 E CA 0.312 56.689 56.400 -0.038 0.000 0.887 97 E CB 0.105 29.781 29.700 -0.040 0.000 0.855 97 E HN 0.452 nan 8.360 nan 0.000 0.540 98 G N 0.345 109.117 108.800 -0.047 0.000 2.195 98 G HA2 -0.243 3.718 3.960 0.001 0.000 0.224 98 G HA3 -0.243 3.718 3.960 0.001 0.000 0.224 98 G C 0.041 174.898 174.900 -0.072 0.000 0.990 98 G CA -0.398 44.669 45.100 -0.054 0.000 0.639 98 G HN 0.089 nan 8.290 nan 0.000 0.514 99 L N 1.291 122.468 121.223 -0.076 0.000 2.426 99 L HA 0.374 4.714 4.340 0.001 0.000 0.271 99 L C 0.790 177.602 176.870 -0.097 0.000 1.169 99 L CA -0.061 54.721 54.840 -0.097 0.000 0.836 99 L CB 0.925 42.932 42.059 -0.087 0.000 1.112 99 L HN 0.341 nan 8.230 nan 0.000 0.465 100 N N 1.559 120.176 118.700 -0.138 0.000 2.415 100 N HA 0.309 5.050 4.740 0.001 0.000 0.246 100 N C -1.226 174.250 175.510 -0.056 0.000 1.078 100 N CA -0.446 52.536 53.050 -0.113 0.000 0.942 100 N CB 0.615 38.967 38.487 -0.225 0.000 1.140 100 N HN 0.305 nan 8.380 nan 0.000 0.501 101 V N 4.153 124.043 119.914 -0.040 0.000 2.383 101 V HA 0.225 4.345 4.120 0.001 0.000 0.275 101 V C 0.191 176.261 176.094 -0.039 0.000 1.036 101 V CA -0.718 61.557 62.300 -0.042 0.000 0.889 101 V CB 1.379 33.180 31.823 -0.037 0.000 0.985 101 V HN 0.312 nan 8.190 nan 0.000 0.459 102 V N 8.532 128.394 119.914 -0.087 0.000 2.465 102 V HA 0.269 4.390 4.120 0.001 0.000 0.279 102 V C -1.056 175.000 176.094 -0.062 0.000 1.045 102 V CA -1.047 61.188 62.300 -0.109 0.000 0.938 102 V CB 1.777 33.396 31.823 -0.341 0.000 0.986 102 V HN 0.784 nan 8.190 nan 0.000 0.467 103 P HA 0.045 nan 4.420 nan 0.000 0.224 103 P C 0.201 177.525 177.300 0.040 0.000 1.157 103 P CA 0.657 63.766 63.100 0.015 0.000 0.799 103 P CB 0.214 31.931 31.700 0.030 0.000 0.809 104 C N -4.431 114.887 119.300 0.029 0.000 3.289 104 C HA 0.761 5.222 4.460 0.001 0.000 0.354 104 C C 1.694 176.692 174.990 0.013 0.000 1.201 104 C CA -0.269 58.761 59.018 0.019 0.000 1.199 104 C CB 0.625 28.379 27.740 0.023 0.000 1.511 104 C HN 0.153 nan 8.230 nan 0.000 0.506 105 A N 1.292 124.112 122.820 -0.001 0.000 1.902 105 A HA -0.115 4.206 4.320 0.001 0.000 0.217 105 A C 2.336 179.924 177.584 0.006 0.000 1.181 105 A CA 2.077 54.111 52.037 -0.004 0.000 0.623 105 A CB -0.667 18.325 19.000 -0.014 0.000 0.818 105 A HN 1.052 nan 8.150 nan 0.000 0.443 106 R N -0.307 120.200 120.500 0.012 0.000 2.081 106 R HA -0.103 4.238 4.340 0.001 0.000 0.235 106 R C 2.229 178.551 176.300 0.036 0.000 1.131 106 R CA 1.505 57.615 56.100 0.018 0.000 0.960 106 R CB -0.434 29.875 30.300 0.015 0.000 0.856 106 R HN 0.420 nan 8.270 nan 0.000 0.436 107 A N 0.285 123.142 122.820 0.062 0.000 1.933 107 A HA -0.178 4.142 4.320 0.001 0.000 0.218 107 A C 2.229 179.856 177.584 0.071 0.000 1.175 107 A CA 2.069 54.168 52.037 0.104 0.000 0.628 107 A CB -1.006 18.100 19.000 0.175 0.000 0.814 107 A HN 0.680 nan 8.150 nan 0.000 0.444 108 T N -2.212 112.365 114.554 0.038 0.000 2.821 108 T HA -0.116 4.234 4.350 0.001 0.000 0.267 108 T C 1.906 176.616 174.700 0.017 0.000 1.046 108 T CA 1.551 63.663 62.100 0.019 0.000 1.139 108 T CB -0.227 68.641 68.868 0.000 0.000 0.871 108 T HN 0.475 nan 8.240 nan 0.000 0.454 109 K N 0.796 121.204 120.400 0.013 0.000 2.025 109 K HA 0.062 4.383 4.320 0.001 0.000 0.207 109 K C 2.436 179.042 176.600 0.010 0.000 1.049 109 K CA 1.082 57.373 56.287 0.006 0.000 0.933 109 K CB -0.406 32.094 32.500 0.001 0.000 0.714 109 K HN 0.371 nan 8.250 nan 0.000 0.438 110 L N 0.690 121.925 121.223 0.020 0.000 2.043 110 L HA -0.199 4.141 4.340 0.001 0.000 0.212 110 L C 2.379 179.270 176.870 0.035 0.000 1.075 110 L CA 2.000 56.854 54.840 0.023 0.000 0.752 110 L CB -0.708 41.371 42.059 0.033 0.000 0.891 110 L HN 0.430 nan 8.230 nan 0.000 0.432 111 T N -3.554 111.029 114.554 0.048 0.000 3.107 111 T HA 0.040 4.391 4.350 0.001 0.000 0.249 111 T C 1.387 176.107 174.700 0.034 0.000 1.096 111 T CA 0.324 62.458 62.100 0.056 0.000 1.012 111 T CB -0.113 68.803 68.868 0.079 0.000 0.977 111 T HN 0.372 nan 8.240 nan 0.000 0.527 112 M N 0.162 119.773 119.600 0.019 0.000 2.556 112 M HA 0.370 4.851 4.480 0.001 0.000 0.245 112 M C 0.352 176.656 176.300 0.007 0.000 1.128 112 M CA 0.250 55.555 55.300 0.009 0.000 1.069 112 M CB -0.030 32.571 32.600 0.001 0.000 1.469 112 M HN 0.084 nan 8.290 nan 0.000 0.494 113 N N 0.839 119.545 118.700 0.009 0.000 2.371 113 N HA 0.317 5.057 4.740 0.001 0.000 0.291 113 N C -0.202 175.323 175.510 0.024 0.000 1.053 113 N CA -0.340 52.714 53.050 0.006 0.000 0.870 113 N CB 1.373 39.848 38.487 -0.020 0.000 1.503 113 N HN 0.209 nan 8.380 nan 0.000 0.485 114 R N 1.473 122.011 120.500 0.064 0.000 2.159 114 R HA -0.149 4.192 4.340 0.001 0.000 0.237 114 R C 1.283 177.658 176.300 0.125 0.000 1.131 114 R CA 1.373 57.546 56.100 0.121 0.000 0.982 114 R CB 0.149 30.567 30.300 0.197 0.000 0.868 114 R HN 0.697 nan 8.270 nan 0.000 0.453 115 E N 0.045 120.226 120.200 -0.032 0.000 2.077 115 E HA -0.139 4.211 4.350 0.001 0.000 0.193 115 E C 2.043 178.558 176.600 -0.142 0.000 0.989 115 E CA 1.222 57.431 56.400 -0.318 0.000 0.800 115 E CB -0.103 29.183 29.700 -0.691 0.000 0.746 115 E HN 0.440 nan 8.360 nan 0.000 0.452 116 G N 1.191 109.947 108.800 -0.074 0.000 2.414 116 G HA2 -0.263 3.697 3.960 0.001 0.000 0.215 116 G HA3 -0.263 3.697 3.960 0.001 0.000 0.215 116 G C 1.523 176.425 174.900 0.002 0.000 1.188 116 G CA 0.787 45.865 45.100 -0.036 0.000 0.783 116 G HN 0.306 nan 8.290 nan 0.000 0.537 117 I N 0.710 121.301 120.570 0.036 0.000 2.179 117 I HA -0.050 4.120 4.170 0.001 0.000 0.242 117 I C 2.636 178.804 176.117 0.086 0.000 1.088 117 I CA 1.390 62.736 61.300 0.077 0.000 1.357 117 I CB -0.329 37.748 38.000 0.129 0.000 1.051 117 I HN 0.123 nan 8.210 nan 0.000 0.409 118 R N 0.866 121.411 120.500 0.075 0.000 2.073 118 R HA -0.100 4.240 4.340 0.001 0.000 0.234 118 R C 2.407 178.676 176.300 -0.052 0.000 1.134 118 R CA 1.759 57.849 56.100 -0.015 0.000 0.952 118 R CB -0.500 29.710 30.300 -0.149 0.000 0.850 118 R HN 0.336 nan 8.270 nan 0.000 0.433 119 R N -0.147 120.366 120.500 0.022 0.000 2.092 119 R HA -0.099 4.241 4.340 0.001 0.000 0.231 119 R C 2.224 178.552 176.300 0.046 0.000 1.119 119 R CA 1.356 57.507 56.100 0.084 0.000 0.970 119 R CB -0.595 29.754 30.300 0.081 0.000 0.864 119 R HN 0.233 nan 8.270 nan 0.000 0.440 120 L N 0.819 122.048 121.223 0.009 0.000 2.027 120 L HA -0.074 4.266 4.340 0.001 0.000 0.206 120 L C 2.307 179.144 176.870 -0.055 0.000 1.074 120 L CA 1.965 56.794 54.840 -0.019 0.000 0.745 120 L CB -0.603 41.437 42.059 -0.032 0.000 0.898 120 L HN 0.082 nan 8.230 nan 0.000 0.433 121 A N -0.281 122.481 122.820 -0.096 0.000 1.865 121 A HA -0.121 4.199 4.320 0.001 0.000 0.217 121 A C 2.427 179.962 177.584 -0.080 0.000 1.191 121 A CA 2.209 54.123 52.037 -0.205 0.000 0.623 121 A CB -1.339 17.413 19.000 -0.413 0.000 0.826 121 A HN 0.607 nan 8.150 nan 0.000 0.444 122 A N -0.548 122.286 122.820 0.024 0.000 1.872 122 A HA -0.058 4.262 4.320 0.001 0.000 0.214 122 A C 1.953 179.610 177.584 0.121 0.000 1.187 122 A CA 1.587 53.697 52.037 0.120 0.000 0.614 122 A CB -0.414 18.744 19.000 0.263 0.000 0.826 122 A HN 0.621 nan 8.150 nan 0.000 0.442 123 E N -0.461 119.812 120.200 0.123 0.000 2.057 123 E HA -0.060 4.290 4.350 0.001 0.000 0.190 123 E C 2.041 178.668 176.600 0.046 0.000 0.969 123 E CA 0.907 57.367 56.400 0.100 0.000 0.812 123 E CB -0.129 29.647 29.700 0.127 0.000 0.777 123 E HN 0.641 nan 8.360 nan 0.000 0.455 124 E N 0.801 121.015 120.200 0.024 0.000 2.051 124 E HA -0.059 4.291 4.350 0.001 0.000 0.189 124 E C 2.120 178.709 176.600 -0.019 0.000 0.979 124 E CA 0.750 57.150 56.400 -0.000 0.000 0.803 124 E CB 0.101 29.795 29.700 -0.010 0.000 0.761 124 E HN 0.211 nan 8.360 nan 0.000 0.451 125 L N 0.091 121.289 121.223 -0.042 0.000 2.446 125 L HA 0.029 4.370 4.340 0.001 0.000 0.219 125 L C 0.621 177.463 176.870 -0.047 0.000 1.116 125 L CA 0.213 55.014 54.840 -0.065 0.000 0.844 125 L CB -0.081 41.903 42.059 -0.126 0.000 0.970 125 L HN 0.148 nan 8.230 nan 0.000 0.457 126 Q N 0.573 120.362 119.800 -0.019 0.000 2.475 126 Q HA -0.183 4.157 4.340 0.001 0.000 0.280 126 Q C -0.407 175.591 176.000 -0.003 0.000 1.234 126 Q CA 0.294 56.099 55.803 0.004 0.000 0.873 126 Q CB -1.502 27.239 28.738 0.005 0.000 1.256 126 Q HN 0.463 nan 8.270 nan 0.000 0.475 127 L N 0.974 122.181 121.223 -0.027 0.000 2.399 127 L HA 0.449 4.789 4.340 0.001 0.000 0.266 127 L C -1.659 175.241 176.870 0.050 0.000 1.114 127 L CA -2.049 52.775 54.840 -0.027 0.000 0.804 127 L CB 0.142 42.119 42.059 -0.137 0.000 1.146 127 L HN -0.081 nan 8.230 nan 0.000 0.451 128 P HA 0.162 nan 4.420 nan 0.000 0.276 128 P C -0.666 176.737 177.300 0.172 0.000 1.235 128 P CA -0.135 63.031 63.100 0.110 0.000 0.772 128 P CB 0.987 32.740 31.700 0.089 0.000 0.871 129 T N -1.236 113.432 114.554 0.190 0.000 2.787 129 T HA 0.544 4.894 4.350 0.001 0.000 0.297 129 T C 0.054 174.885 174.700 0.220 0.000 1.221 129 T CA -0.719 61.514 62.100 0.221 0.000 1.006 129 T CB 0.697 69.709 68.868 0.240 0.000 1.328 129 T HN 0.344 nan 8.240 nan 0.000 0.509 130 S N 0.906 116.744 115.700 0.230 0.000 2.596 130 S HA 0.452 4.923 4.470 0.001 0.000 0.260 130 S C 0.688 175.433 174.600 0.243 0.000 1.336 130 S CA -0.134 58.193 58.200 0.212 0.000 0.993 130 S CB -0.369 62.955 63.200 0.205 0.000 0.923 130 S HN 1.333 nan 8.310 nan 0.000 0.567 131 T N -0.502 114.141 114.554 0.149 0.000 2.899 131 T HA 0.513 4.864 4.350 0.001 0.000 0.295 131 T C -0.470 174.315 174.700 0.142 0.000 1.033 131 T CA -0.517 61.633 62.100 0.083 0.000 1.084 131 T CB -0.152 68.707 68.868 -0.015 0.000 0.979 131 T HN 0.982 nan 8.240 nan 0.000 0.532 132 Y N -1.615 118.648 120.300 -0.063 0.000 2.609 132 Y HA 0.796 5.346 4.550 0.001 0.000 0.336 132 Y C -0.792 174.994 175.900 -0.190 0.000 1.129 132 Y CA -1.663 56.341 58.100 -0.160 0.000 1.040 132 Y CB 1.646 39.969 38.460 -0.229 0.000 1.310 132 Y HN 0.725 nan 8.280 nan 0.000 0.460 133 R N 1.671 122.066 120.500 -0.174 0.000 2.584 133 R HA 0.525 4.866 4.340 0.001 0.000 0.276 133 R C -2.037 174.133 176.300 -0.217 0.000 1.046 133 R CA -0.788 55.223 56.100 -0.148 0.000 0.906 133 R CB 2.212 32.468 30.300 -0.074 0.000 1.215 133 R HN 0.621 nan 8.270 nan 0.000 0.449 134 F N 0.990 121.045 119.950 0.175 0.000 2.399 134 F HA 0.727 5.255 4.527 0.001 0.000 0.328 134 F C 0.444 176.340 175.800 0.161 0.000 1.084 134 F CA -0.356 57.747 58.000 0.171 0.000 1.053 134 F CB 1.923 41.016 39.000 0.154 0.000 1.209 134 F HN 0.518 nan 8.300 nan 0.000 0.502 135 A N 1.056 124.108 122.820 0.387 0.000 2.517 135 A HA 0.543 4.864 4.320 0.001 0.000 0.297 135 A C -1.128 176.661 177.584 0.342 0.000 1.050 135 A CA -0.725 51.506 52.037 0.323 0.000 0.694 135 A CB 1.052 20.278 19.000 0.377 0.000 1.277 135 A HN 0.710 nan 8.150 nan 0.000 0.400 136 D N 0.091 120.652 120.400 0.269 0.000 2.479 136 D HA 0.282 4.922 4.640 0.001 0.000 0.218 136 D C 0.192 176.675 176.300 0.306 0.000 1.177 136 D CA 0.565 54.734 54.000 0.282 0.000 0.830 136 D CB 0.183 41.092 40.800 0.182 0.000 1.014 136 D HN 0.681 nan 8.370 nan 0.000 0.503 137 S N -1.639 114.177 115.700 0.192 0.000 2.550 137 S HA 0.315 4.786 4.470 0.001 0.000 0.270 137 S C 0.620 174.832 174.600 -0.646 0.000 1.145 137 S CA -0.804 57.358 58.200 -0.064 0.000 0.852 137 S CB 2.294 65.473 63.200 -0.036 0.000 1.119 137 S HN -0.085 nan 8.310 nan 0.000 0.465 138 E N 1.347 120.846 120.200 -1.168 0.000 2.118 138 E HA -0.186 4.164 4.350 0.001 0.000 0.195 138 E C 1.861 178.172 176.600 -0.482 0.000 0.992 138 E CA 1.972 57.534 56.400 -1.396 0.000 0.804 138 E CB -0.223 28.703 29.700 -1.291 0.000 0.741 138 E HN 0.778 nan 8.360 nan 0.000 0.458 139 S N 0.145 115.660 115.700 -0.308 0.000 2.368 139 S HA -0.128 4.343 4.470 0.001 0.000 0.224 139 S C 2.049 176.574 174.600 -0.125 0.000 1.029 139 S CA 0.750 58.847 58.200 -0.171 0.000 0.988 139 S CB -0.419 62.714 63.200 -0.113 0.000 0.838 139 S HN 0.305 nan 8.310 nan 0.000 0.462 140 L N 0.135 121.304 121.223 -0.090 0.000 2.201 140 L HA 0.096 4.436 4.340 0.001 0.000 0.212 140 L C 2.354 179.241 176.870 0.029 0.000 1.105 140 L CA 1.036 55.866 54.840 -0.017 0.000 0.775 140 L CB -0.510 41.569 42.059 0.035 0.000 0.913 140 L HN 0.360 nan 8.230 nan 0.000 0.440 141 F N 0.822 120.682 119.950 -0.150 0.000 2.075 141 F HA -0.227 4.300 4.527 0.001 0.000 0.297 141 F C 2.578 178.343 175.800 -0.059 0.000 1.113 141 F CA 1.620 59.581 58.000 -0.066 0.000 1.218 141 F CB -0.412 38.493 39.000 -0.159 0.000 0.984 141 F HN -0.110 nan 8.300 nan 0.000 0.472 142 R N 0.347 120.559 120.500 -0.480 0.000 2.096 142 R HA -0.148 4.193 4.340 0.001 0.000 0.235 142 R C 2.148 178.265 176.300 -0.304 0.000 1.127 142 R CA 1.747 57.549 56.100 -0.497 0.000 0.968 142 R CB -0.519 29.600 30.300 -0.301 0.000 0.861 142 R HN 0.482 nan 8.270 nan 0.000 0.440 143 E N 0.487 120.574 120.200 -0.188 0.000 2.110 143 E HA -0.177 4.174 4.350 0.001 0.000 0.193 143 E C 2.049 178.567 176.600 -0.137 0.000 0.988 143 E CA 1.104 57.426 56.400 -0.129 0.000 0.804 143 E CB -0.109 29.546 29.700 -0.075 0.000 0.745 143 E HN 0.351 nan 8.360 nan 0.000 0.458 144 A N 1.150 123.891 122.820 -0.133 0.000 1.858 144 A HA -0.162 4.158 4.320 0.001 0.000 0.216 144 A C 2.558 180.029 177.584 -0.189 0.000 1.190 144 A CA 1.335 53.307 52.037 -0.109 0.000 0.617 144 A CB -0.851 18.140 19.000 -0.016 0.000 0.827 144 A HN 0.119 nan 8.150 nan 0.000 0.443 145 V N -0.005 119.725 119.914 -0.306 0.000 2.287 145 V HA -0.302 3.818 4.120 0.001 0.000 0.248 145 V C 3.072 178.941 176.094 -0.375 0.000 1.053 145 V CA 2.119 64.177 62.300 -0.404 0.000 1.027 145 V CB -1.290 30.198 31.823 -0.558 0.000 0.646 145 V HN 0.638 nan 8.190 nan 0.000 0.447 146 A N -0.519 122.140 122.820 -0.268 0.000 1.940 146 A HA -0.296 4.024 4.320 0.001 0.000 0.219 146 A C 2.058 179.555 177.584 -0.146 0.000 1.176 146 A CA 2.234 54.166 52.037 -0.175 0.000 0.631 146 A CB -0.580 18.354 19.000 -0.110 0.000 0.814 146 A HN 0.564 nan 8.150 nan 0.000 0.446 147 D N -0.651 119.663 120.400 -0.143 0.000 2.162 147 D HA -0.041 4.600 4.640 0.001 0.000 0.203 147 D C 1.816 178.041 176.300 -0.125 0.000 0.967 147 D CA 0.639 54.571 54.000 -0.112 0.000 0.840 147 D CB -0.055 40.687 40.800 -0.097 0.000 0.972 147 D HN 0.307 nan 8.370 nan 0.000 0.482 148 I N 0.124 120.596 120.570 -0.164 0.000 2.286 148 I HA 0.102 4.273 4.170 0.001 0.000 0.245 148 I C 1.510 177.523 176.117 -0.174 0.000 1.104 148 I CA 1.162 62.366 61.300 -0.161 0.000 1.397 148 I CB -1.253 36.647 38.000 -0.168 0.000 1.072 148 I HN 0.127 nan 8.210 nan 0.000 0.417 149 G N -0.101 108.543 108.800 -0.261 0.000 2.707 149 G HA2 -0.219 3.742 3.960 0.001 0.000 0.686 149 G HA3 -0.219 3.742 3.960 0.001 0.000 0.686 149 G C -1.031 173.658 174.900 -0.352 0.000 1.315 149 G CA -0.744 44.213 45.100 -0.237 0.000 0.832 149 G HN 0.148 nan 8.290 nan 0.000 0.573 150 Y N 0.794 121.058 120.300 -0.061 0.000 2.420 150 Y HA 0.654 5.205 4.550 0.001 0.000 0.334 150 Y C -0.915 174.950 175.900 -0.057 0.000 1.094 150 Y CA -1.239 56.819 58.100 -0.070 0.000 1.126 150 Y CB 1.399 39.831 38.460 -0.047 0.000 1.217 150 Y HN 0.652 nan 8.280 nan 0.000 0.462 151 P HA 0.499 nan 4.420 nan 0.000 0.278 151 P C -1.070 176.107 177.300 -0.205 0.000 1.266 151 P CA -0.508 62.580 63.100 -0.019 0.000 0.807 151 P CB 1.057 32.676 31.700 -0.135 0.000 1.094 152 C N -1.531 117.577 119.300 -0.321 0.000 3.288 152 C HA 0.802 5.262 4.460 0.001 0.000 0.318 152 C C -0.845 173.958 174.990 -0.311 0.000 1.356 152 C CA -0.923 57.925 59.018 -0.283 0.000 1.359 152 C CB 0.343 27.945 27.740 -0.229 0.000 1.688 152 C HN 0.498 nan 8.230 nan 0.000 0.467 153 I N 1.391 121.860 120.570 -0.169 0.000 2.509 153 I HA 0.632 4.803 4.170 0.001 0.000 0.293 153 I C -0.328 175.813 176.117 0.040 0.000 1.020 153 I CA -0.672 60.587 61.300 -0.068 0.000 1.088 153 I CB 1.863 39.869 38.000 0.011 0.000 1.267 153 I HN 0.714 nan 8.210 nan 0.000 0.430 154 V N 6.890 126.864 119.914 0.100 0.000 2.483 154 V HA 0.617 4.737 4.120 0.001 0.000 0.295 154 V C -0.817 175.315 176.094 0.062 0.000 1.035 154 V CA -0.228 62.141 62.300 0.115 0.000 0.896 154 V CB 1.605 33.534 31.823 0.177 0.000 0.986 154 V HN 0.800 nan 8.190 nan 0.000 0.447 155 K N 6.612 127.032 120.400 0.034 0.000 2.498 155 K HA 0.589 4.909 4.320 0.001 0.000 0.254 155 K C -3.010 173.581 176.600 -0.014 0.000 0.933 155 K CA -1.935 54.354 56.287 0.004 0.000 0.806 155 K CB 1.948 34.466 32.500 0.031 0.000 1.301 155 K HN 0.318 nan 8.250 nan 0.000 0.432 156 P HA -0.082 nan 4.420 nan 0.000 0.269 156 P C 1.055 178.359 177.300 0.006 0.000 1.209 156 P CA -0.455 62.602 63.100 -0.073 0.000 0.776 156 P CB 0.573 32.197 31.700 -0.127 0.000 0.876 157 V N -0.218 119.724 119.914 0.046 0.000 2.809 157 V HA -0.018 4.102 4.120 0.001 0.000 0.256 157 V C 1.019 177.136 176.094 0.039 0.000 1.080 157 V CA 1.589 63.944 62.300 0.092 0.000 1.102 157 V CB -1.124 30.766 31.823 0.113 0.000 0.705 157 V HN 0.359 nan 8.190 nan 0.000 0.475 158 M N 2.268 121.868 119.600 0.001 0.000 2.386 158 M HA 0.533 5.014 4.480 0.001 0.000 0.245 158 M C -0.334 175.950 176.300 -0.027 0.000 0.982 158 M CA 0.170 55.463 55.300 -0.011 0.000 0.860 158 M CB 1.251 33.839 32.600 -0.019 0.000 1.371 158 M HN 0.564 nan 8.290 nan 0.000 0.425 159 S N 0.113 115.801 115.700 -0.020 0.000 2.625 159 S HA 0.915 5.386 4.470 0.001 0.000 0.271 159 S C -0.688 173.902 174.600 -0.017 0.000 1.161 159 S CA -0.667 57.514 58.200 -0.031 0.000 0.820 159 S CB 2.318 65.487 63.200 -0.052 0.000 1.137 159 S HN 0.513 nan 8.310 nan 0.000 0.470 160 S N -0.046 115.642 115.700 -0.020 0.000 2.625 160 S HA 0.713 5.184 4.470 0.001 0.000 0.271 160 S C -0.175 174.423 174.600 -0.004 0.000 1.161 160 S CA 0.103 58.295 58.200 -0.012 0.000 0.820 160 S CB 0.693 63.881 63.200 -0.020 0.000 1.137 160 S HN 2.056 nan 8.310 nan 0.000 0.470 161 S N 0.348 116.051 115.700 0.005 0.000 3.533 161 S HA -0.098 4.373 4.470 0.001 0.000 0.347 161 S C 1.336 175.962 174.600 0.044 0.000 1.101 161 S CA 1.528 59.744 58.200 0.025 0.000 1.009 161 S CB -2.035 61.177 63.200 0.020 0.000 0.916 161 S HN 2.523 nan 8.310 nan 0.000 0.496 162 G N 0.048 108.877 108.800 0.048 0.000 2.184 162 G HA2 -0.350 3.611 3.960 0.001 0.000 0.264 162 G HA3 -0.350 3.611 3.960 0.001 0.000 0.264 162 G C -0.083 174.841 174.900 0.040 0.000 0.975 162 G CA 0.640 45.781 45.100 0.069 0.000 0.642 162 G HN 0.695 nan 8.290 nan 0.000 0.536 163 K N 0.309 120.703 120.400 -0.009 0.000 2.453 163 K HA 0.387 4.707 4.320 0.001 0.000 0.280 163 K C 1.473 177.951 176.600 -0.204 0.000 1.045 163 K CA 0.817 57.054 56.287 -0.082 0.000 1.059 163 K CB 0.301 32.752 32.500 -0.081 0.000 0.901 163 K HN 1.327 nan 8.250 nan 0.000 0.475 164 G N 2.266 110.785 108.800 -0.468 0.000 2.153 164 G HA2 -0.322 3.639 3.960 0.001 0.000 0.252 164 G HA3 -0.322 3.639 3.960 0.001 0.000 0.252 164 G C -0.055 174.625 174.900 -0.366 0.000 0.994 164 G CA -0.017 44.587 45.100 -0.826 0.000 0.698 164 G HN 0.617 nan 8.290 nan 0.000 0.521 165 Q N 0.218 119.999 119.800 -0.032 0.000 2.241 165 Q HA 0.607 4.948 4.340 0.001 0.000 0.254 165 Q C -0.574 175.604 176.000 0.296 0.000 0.917 165 Q CA -0.097 55.786 55.803 0.132 0.000 0.919 165 Q CB 1.055 29.868 28.738 0.126 0.000 1.237 165 Q HN 0.218 nan 8.270 nan 0.000 0.434 166 T N 3.151 117.858 114.554 0.255 0.000 2.879 166 T HA 0.293 4.643 4.350 0.001 0.000 0.290 166 T C -1.232 173.619 174.700 0.251 0.000 0.993 166 T CA -0.435 61.828 62.100 0.272 0.000 0.975 166 T CB 0.441 69.468 68.868 0.264 0.000 0.981 166 T HN 0.413 nan 8.240 nan 0.000 0.439 167 F N 4.759 124.790 119.950 0.135 0.000 2.404 167 F HA 0.501 5.029 4.527 0.001 0.000 0.359 167 F C -0.210 175.671 175.800 0.135 0.000 1.134 167 F CA -1.071 57.001 58.000 0.121 0.000 1.160 167 F CB -0.031 39.026 39.000 0.095 0.000 1.186 167 F HN 0.447 nan 8.300 nan 0.000 0.526 168 I N 7.843 128.368 120.570 -0.075 0.000 2.312 168 I HA 0.261 4.431 4.170 0.001 0.000 0.291 168 I C 0.703 176.899 176.117 0.132 0.000 1.031 168 I CA -0.101 61.257 61.300 0.097 0.000 1.293 168 I CB 1.115 39.213 38.000 0.164 0.000 1.403 168 I HN 0.655 nan 8.210 nan 0.000 0.484 169 R N 3.274 123.905 120.500 0.219 0.000 2.225 169 R HA 0.175 4.516 4.340 0.001 0.000 0.194 169 R C 0.210 176.484 176.300 -0.043 0.000 0.957 169 R CA 0.216 56.425 56.100 0.181 0.000 1.042 169 R CB 0.273 30.680 30.300 0.179 0.000 1.004 169 R HN 0.735 nan 8.270 nan 0.000 0.509 170 S N -1.429 114.196 115.700 -0.125 0.000 2.596 170 S HA 0.554 5.025 4.470 0.001 0.000 0.270 170 S C 0.435 174.914 174.600 -0.202 0.000 1.155 170 S CA -0.502 57.386 58.200 -0.519 0.000 0.827 170 S CB 1.803 64.822 63.200 -0.301 0.000 1.130 170 S HN 0.017 nan 8.310 nan 0.000 0.467 171 A N 0.553 123.209 122.820 -0.272 0.000 2.076 171 A HA -0.081 4.240 4.320 0.001 0.000 0.220 171 A C 1.829 179.442 177.584 0.047 0.000 1.160 171 A CA 1.795 53.853 52.037 0.034 0.000 0.653 171 A CB -1.016 17.988 19.000 0.008 0.000 0.801 171 A HN 0.912 nan 8.150 nan 0.000 0.455 172 E N -0.407 119.794 120.200 0.001 0.000 2.118 172 E HA -0.240 4.110 4.350 0.001 0.000 0.195 172 E C 1.911 178.555 176.600 0.075 0.000 0.992 172 E CA 1.518 57.935 56.400 0.028 0.000 0.804 172 E CB -0.114 29.589 29.700 0.005 0.000 0.741 172 E HN 0.838 nan 8.360 nan 0.000 0.458 173 Q N 0.042 119.905 119.800 0.106 0.000 2.444 173 Q HA 0.035 4.375 4.340 0.001 0.000 0.206 173 Q C 2.076 178.208 176.000 0.221 0.000 0.948 173 Q CA -0.024 55.868 55.803 0.147 0.000 0.946 173 Q CB 0.172 29.005 28.738 0.159 0.000 1.027 173 Q HN 0.291 nan 8.270 nan 0.000 0.513 174 L N 0.613 121.976 121.223 0.234 0.000 2.021 174 L HA -0.313 4.028 4.340 0.001 0.000 0.215 174 L C 2.527 179.652 176.870 0.425 0.000 1.074 174 L CA 1.470 56.508 54.840 0.331 0.000 0.760 174 L CB -0.784 41.383 42.059 0.181 0.000 0.889 174 L HN 0.327 nan 8.230 nan 0.000 0.433 175 A N -0.846 122.140 122.820 0.277 0.000 1.851 175 A HA -0.286 4.034 4.320 0.001 0.000 0.216 175 A C 2.232 179.985 177.584 0.282 0.000 1.195 175 A CA 1.862 54.060 52.037 0.267 0.000 0.622 175 A CB -0.633 18.470 19.000 0.170 0.000 0.831 175 A HN 0.371 nan 8.150 nan 0.000 0.444 176 Q N -0.367 119.559 119.800 0.210 0.000 2.050 176 Q HA -0.077 4.264 4.340 0.001 0.000 0.202 176 Q C 2.294 178.414 176.000 0.200 0.000 0.980 176 Q CA 2.049 57.950 55.803 0.164 0.000 0.840 176 Q CB -0.949 27.846 28.738 0.095 0.000 0.898 176 Q HN 0.574 nan 8.270 nan 0.000 0.424 177 A N 0.591 123.560 122.820 0.249 0.000 1.892 177 A HA -0.223 4.097 4.320 0.001 0.000 0.218 177 A C 2.013 179.667 177.584 0.117 0.000 1.188 177 A CA 1.697 53.887 52.037 0.254 0.000 0.631 177 A CB -1.480 17.737 19.000 0.360 0.000 0.822 177 A HN 0.750 nan 8.150 nan 0.000 0.447 178 W N 0.749 122.002 121.300 -0.079 0.000 2.355 178 W HA -0.197 4.464 4.660 0.001 0.000 0.309 178 W C 2.099 178.548 176.519 -0.116 0.000 1.206 178 W CA 2.184 59.333 57.345 -0.326 0.000 1.284 178 W CB -0.346 29.007 29.460 -0.178 0.000 1.145 178 W HN 0.402 nan 8.180 nan 0.000 0.502 179 K N -0.238 120.154 120.400 -0.013 0.000 1.991 179 K HA -0.316 4.004 4.320 0.001 0.000 0.212 179 K C 2.296 178.832 176.600 -0.106 0.000 1.049 179 K CA 2.190 58.435 56.287 -0.070 0.000 0.932 179 K CB -1.249 31.311 32.500 0.101 0.000 0.717 179 K HN 0.191 nan 8.250 nan 0.000 0.441 180 Y N 0.374 120.590 120.300 -0.139 0.000 2.151 180 Y HA -0.341 4.210 4.550 0.001 0.000 0.284 180 Y C 2.025 177.810 175.900 -0.190 0.000 1.166 180 Y CA 1.507 59.535 58.100 -0.120 0.000 1.163 180 Y CB -0.127 38.302 38.460 -0.052 0.000 0.974 180 Y HN 0.263 nan 8.280 nan 0.000 0.511 181 A N -0.536 122.082 122.820 -0.338 0.000 2.015 181 A HA -0.221 4.099 4.320 0.001 0.000 0.219 181 A C 1.935 179.210 177.584 -0.514 0.000 1.163 181 A CA 1.614 53.373 52.037 -0.464 0.000 0.646 181 A CB -0.544 18.176 19.000 -0.467 0.000 0.806 181 A HN 0.496 nan 8.150 nan 0.000 0.448 182 Q N -0.344 119.097 119.800 -0.598 0.000 2.230 182 Q HA -0.075 4.266 4.340 0.001 0.000 0.202 182 Q C 2.086 177.901 176.000 -0.309 0.000 0.963 182 Q CA 1.376 56.860 55.803 -0.533 0.000 0.866 182 Q CB -0.321 28.062 28.738 -0.591 0.000 0.931 182 Q HN 0.778 nan 8.270 nan 0.000 0.452 183 Q N -1.001 118.632 119.800 -0.279 0.000 2.119 183 Q HA 0.018 4.358 4.340 0.001 0.000 0.201 183 Q C 0.298 176.171 176.000 -0.213 0.000 0.972 183 Q CA 0.905 56.591 55.803 -0.195 0.000 0.847 183 Q CB -0.059 28.584 28.738 -0.159 0.000 0.903 183 Q HN 0.288 nan 8.270 nan 0.000 0.433 184 G N -0.073 108.549 108.800 -0.297 0.000 2.339 184 G HA2 0.476 4.436 3.960 0.001 0.000 0.287 184 G HA3 0.476 4.436 3.960 0.001 0.000 0.287 184 G C -0.090 174.700 174.900 -0.184 0.000 1.163 184 G CA 0.365 45.316 45.100 -0.248 0.000 0.872 184 G HN 0.351 nan 8.290 nan 0.000 0.464 185 G N 2.400 111.124 108.800 -0.127 0.000 2.498 185 G HA2 -0.096 3.864 3.960 0.001 0.000 0.651 185 G HA3 -0.096 3.864 3.960 0.001 0.000 0.651 185 G C 0.929 175.784 174.900 -0.075 0.000 1.284 185 G CA 0.049 45.094 45.100 -0.092 0.000 0.950 185 G HN 1.308 nan 8.290 nan 0.000 0.511 186 R N 0.239 120.706 120.500 -0.055 0.000 2.452 186 R HA 0.098 4.439 4.340 0.001 0.000 0.256 186 R C 1.673 177.949 176.300 -0.040 0.000 1.221 186 R CA 1.959 58.035 56.100 -0.040 0.000 1.076 186 R CB -1.298 28.983 30.300 -0.032 0.000 0.849 186 R HN 2.390 nan 8.270 nan 0.000 0.501 191 R N 0.818 121.342 120.500 0.041 0.000 2.539 191 R HA 0.544 4.885 4.340 0.001 0.000 0.275 191 R C 0.088 176.445 176.300 0.096 0.000 1.077 191 R CA 0.462 56.630 56.100 0.114 0.000 1.097 191 R CB 1.271 31.638 30.300 0.112 0.000 1.018 191 R HN 0.839 nan 8.270 nan 0.000 0.483 192 V N 2.040 122.068 119.914 0.190 0.000 3.141 192 V HA 0.649 4.769 4.120 0.001 0.000 0.312 192 V C -0.648 175.608 176.094 0.271 0.000 1.157 192 V CA -1.094 61.302 62.300 0.159 0.000 1.041 192 V CB 1.861 33.716 31.823 0.052 0.000 1.071 192 V HN 0.836 nan 8.190 nan 0.000 0.441 193 I N 1.532 122.187 120.570 0.142 0.000 2.530 193 I HA 0.731 4.902 4.170 0.001 0.000 0.297 193 I C -1.205 174.907 176.117 -0.009 0.000 1.011 193 I CA -0.960 60.299 61.300 -0.068 0.000 1.107 193 I CB 2.058 39.955 38.000 -0.172 0.000 1.285 193 I HN 0.609 nan 8.210 nan 0.000 0.436 194 V N 6.829 126.712 119.914 -0.051 0.000 2.376 194 V HA 0.402 4.523 4.120 0.001 0.000 0.287 194 V C -0.548 175.527 176.094 -0.032 0.000 1.015 194 V CA -0.524 61.791 62.300 0.024 0.000 0.834 194 V CB 1.374 33.239 31.823 0.070 0.000 1.001 194 V HN 0.703 nan 8.190 nan 0.000 0.428 195 E N 2.776 122.970 120.200 -0.009 0.000 2.195 195 E HA 0.598 4.949 4.350 0.001 0.000 0.271 195 E C 0.367 176.956 176.600 -0.018 0.000 0.923 195 E CA -0.625 55.783 56.400 0.013 0.000 0.790 195 E CB 2.223 31.956 29.700 0.055 0.000 1.155 195 E HN 0.779 nan 8.360 nan 0.000 0.402 196 G N 0.951 109.747 108.800 -0.006 0.000 2.527 196 G HA2 0.209 4.169 3.960 0.001 0.000 0.248 196 G HA3 0.209 4.169 3.960 0.001 0.000 0.248 196 G C -0.073 174.821 174.900 -0.010 0.000 1.231 196 G CA -0.510 44.570 45.100 -0.034 0.000 0.838 196 G HN 0.305 nan 8.290 nan 0.000 0.570 197 V N 2.007 121.894 119.914 -0.045 0.000 2.470 197 V HA 0.078 4.198 4.120 0.001 0.000 0.276 197 V C 0.523 176.616 176.094 -0.002 0.000 1.040 197 V CA -0.303 61.986 62.300 -0.019 0.000 1.008 197 V CB 1.006 32.812 31.823 -0.028 0.000 0.990 197 V HN 0.431 nan 8.190 nan 0.000 0.477 198 V N 5.685 125.589 119.914 -0.017 0.000 2.465 198 V HA 0.291 4.411 4.120 0.001 0.000 0.279 198 V C 0.263 176.301 176.094 -0.093 0.000 1.045 198 V CA -0.669 61.614 62.300 -0.028 0.000 0.938 198 V CB 1.447 33.245 31.823 -0.041 0.000 0.986 198 V HN 0.824 nan 8.190 nan 0.000 0.467 199 K N 5.551 125.898 120.400 -0.087 0.000 2.299 199 K HA 0.468 4.789 4.320 0.001 0.000 0.268 199 K C -0.620 175.879 176.600 -0.169 0.000 1.075 199 K CA -0.359 55.797 56.287 -0.219 0.000 0.936 199 K CB 0.267 32.665 32.500 -0.170 0.000 1.228 199 K HN 0.540 nan 8.250 nan 0.000 0.454 200 F N 0.611 120.454 119.950 -0.179 0.000 2.408 200 F HA 0.447 4.974 4.527 0.001 0.000 0.325 200 F C 0.799 176.543 175.800 -0.093 0.000 1.082 200 F CA -0.956 56.953 58.000 -0.153 0.000 1.032 200 F CB 0.701 39.587 39.000 -0.190 0.000 1.259 200 F HN 0.309 nan 8.300 nan 0.000 0.503 201 D N 0.687 121.143 120.400 0.093 0.000 2.103 201 D HA 0.014 4.655 4.640 0.001 0.000 0.199 201 D C -0.024 176.506 176.300 0.383 0.000 0.978 201 D CA 2.020 56.100 54.000 0.133 0.000 0.829 201 D CB -0.071 40.796 40.800 0.111 0.000 0.981 201 D HN 0.482 nan 8.370 nan 0.000 0.464 202 F N -0.961 119.259 119.950 0.449 0.000 2.773 202 F HA 0.425 4.953 4.527 0.001 0.000 0.314 202 F C -1.108 174.820 175.800 0.214 0.000 1.160 202 F CA -1.437 56.830 58.000 0.445 0.000 0.920 202 F CB 1.045 40.202 39.000 0.261 0.000 1.323 202 F HN -0.258 nan 8.300 nan 0.000 0.457 203 E N 2.066 122.338 120.200 0.120 0.000 2.221 203 E HA 0.815 5.166 4.350 0.001 0.000 0.268 203 E C -1.098 175.379 176.600 -0.206 0.000 0.933 203 E CA -0.958 55.292 56.400 -0.251 0.000 0.809 203 E CB 3.092 32.507 29.700 -0.473 0.000 1.190 203 E HN 0.886 nan 8.360 nan 0.000 0.406 204 I N -2.130 118.355 120.570 -0.142 0.000 3.174 204 I HA 0.580 4.750 4.170 0.001 0.000 0.313 204 I C -1.024 175.099 176.117 0.010 0.000 1.155 204 I CA -1.012 60.264 61.300 -0.042 0.000 0.977 204 I CB 2.687 40.705 38.000 0.030 0.000 1.248 204 I HN 0.380 nan 8.210 nan 0.000 0.453 205 T N 3.989 118.512 114.554 -0.052 0.000 2.815 205 T HA 0.479 4.830 4.350 0.001 0.000 0.289 205 T C -0.822 173.775 174.700 -0.172 0.000 1.000 205 T CA -0.214 61.736 62.100 -0.250 0.000 0.958 205 T CB 1.264 69.805 68.868 -0.544 0.000 0.944 205 T HN 0.480 nan 8.240 nan 0.000 0.442 206 L N 5.551 126.701 121.223 -0.121 0.000 2.270 206 L HA 0.492 4.832 4.340 0.001 0.000 0.286 206 L C -0.677 176.194 176.870 0.003 0.000 1.059 206 L CA -0.536 54.285 54.840 -0.032 0.000 0.839 206 L CB -0.013 42.045 42.059 -0.001 0.000 1.221 206 L HN 0.588 nan 8.230 nan 0.000 0.431 207 L N 5.319 126.538 121.223 -0.006 0.000 2.385 207 L HA 0.313 4.654 4.340 0.001 0.000 0.281 207 L C 0.190 177.115 176.870 0.092 0.000 1.106 207 L CA 0.096 54.939 54.840 0.005 0.000 0.856 207 L CB -0.045 41.976 42.059 -0.063 0.000 1.186 207 L HN 0.566 nan 8.230 nan 0.000 0.453 208 T N 2.725 117.356 114.554 0.128 0.000 2.779 208 T HA 0.510 4.861 4.350 0.001 0.000 0.280 208 T C -0.056 174.721 174.700 0.129 0.000 0.987 208 T CA -0.506 61.658 62.100 0.108 0.000 0.966 208 T CB 1.964 70.915 68.868 0.138 0.000 0.933 208 T HN 0.175 nan 8.240 nan 0.000 0.442 209 V N 2.765 122.695 119.914 0.027 0.000 2.384 209 V HA 0.538 4.659 4.120 0.001 0.000 0.287 209 V C 0.258 176.400 176.094 0.080 0.000 1.020 209 V CA -0.756 61.602 62.300 0.096 0.000 0.850 209 V CB 1.632 33.470 31.823 0.024 0.000 0.987 209 V HN 0.903 nan 8.190 nan 0.000 0.436 210 S N 3.741 119.562 115.700 0.201 0.000 2.422 210 S HA 0.832 5.303 4.470 0.001 0.000 0.308 210 S C -0.071 174.597 174.600 0.112 0.000 1.097 210 S CA 0.163 58.469 58.200 0.177 0.000 1.099 210 S CB 0.640 64.016 63.200 0.294 0.000 0.976 210 S HN 1.136 nan 8.310 nan 0.000 0.471 211 A N 3.678 126.426 122.820 -0.121 0.000 2.524 211 A HA 0.681 5.002 4.320 0.001 0.000 0.286 211 A C 0.927 178.023 177.584 -0.814 0.000 1.203 211 A CA -0.482 51.203 52.037 -0.588 0.000 0.736 211 A CB 0.407 19.221 19.000 -0.311 0.000 1.322 211 A HN 0.916 nan 8.150 nan 0.000 0.424 212 V N 0.559 119.882 119.914 -0.985 0.000 2.453 212 V HA -0.148 3.972 4.120 0.001 0.000 0.252 212 V C 1.149 177.148 176.094 -0.158 0.000 1.068 212 V CA 2.953 64.967 62.300 -0.477 0.000 1.070 212 V CB -0.630 31.050 31.823 -0.238 0.000 0.664 212 V HN 0.912 nan 8.190 nan 0.000 0.461 213 D N -1.558 118.771 120.400 -0.118 0.000 2.491 213 D HA 0.414 5.055 4.640 0.001 0.000 0.228 213 D C 0.675 176.977 176.300 0.003 0.000 1.183 213 D CA 0.697 54.692 54.000 -0.009 0.000 0.827 213 D CB 0.123 40.947 40.800 0.041 0.000 0.989 213 D HN 0.653 nan 8.370 nan 0.000 0.494 214 G N -0.770 108.000 108.800 -0.051 0.000 2.526 214 G HA2 -0.096 3.865 3.960 0.001 0.000 0.250 214 G HA3 -0.096 3.865 3.960 0.001 0.000 0.250 214 G C -1.162 173.637 174.900 -0.168 0.000 1.289 214 G CA -0.437 44.586 45.100 -0.129 0.000 0.947 214 G HN 0.285 nan 8.290 nan 0.000 0.517 215 V N 1.496 121.220 119.914 -0.317 0.000 2.394 215 V HA 0.645 4.766 4.120 0.001 0.000 0.282 215 V C 0.116 175.751 176.094 -0.765 0.000 1.031 215 V CA -0.355 61.703 62.300 -0.404 0.000 0.881 215 V CB 1.131 32.735 31.823 -0.365 0.000 0.982 215 V HN 0.788 nan 8.190 nan 0.000 0.451 216 H N 3.775 122.511 119.070 -0.555 0.000 2.621 216 H HA 0.728 5.285 4.556 0.001 0.000 0.360 216 H C -1.114 173.804 175.328 -0.682 0.000 1.163 216 H CA -0.433 55.304 56.048 -0.517 0.000 1.194 216 H CB 1.738 31.356 29.762 -0.239 0.000 1.649 216 H HN 0.520 nan 8.280 nan 0.000 0.532 217 F N 0.124 120.125 119.950 0.085 0.000 2.532 217 F HA 0.414 4.941 4.527 0.001 0.000 0.321 217 F C -0.139 175.673 175.800 0.021 0.000 1.089 217 F CA -0.822 57.199 58.000 0.036 0.000 0.926 217 F CB 1.196 40.199 39.000 0.005 0.000 1.168 217 F HN 0.407 nan 8.300 nan 0.000 0.459 218 C N 1.618 121.022 119.300 0.174 0.000 2.480 218 C HA 0.726 5.187 4.460 0.001 0.000 0.358 218 C C 0.802 175.840 174.990 0.080 0.000 1.309 218 C CA -0.750 58.315 59.018 0.077 0.000 2.465 218 C CB 0.676 28.422 27.740 0.010 0.000 2.379 218 C HN 0.927 nan 8.230 nan 0.000 0.642 219 A N 2.919 125.761 122.820 0.038 0.000 2.483 219 A HA 0.439 4.759 4.320 0.001 0.000 0.238 219 A C -2.220 175.374 177.584 0.017 0.000 1.070 219 A CA -0.573 51.483 52.037 0.032 0.000 0.770 219 A CB -0.609 18.406 19.000 0.025 0.000 1.008 219 A HN 0.729 nan 8.150 nan 0.000 0.497 220 P HA 0.160 nan 4.420 nan 0.000 0.264 220 P C -0.703 176.583 177.300 -0.023 0.000 1.183 220 P CA 0.184 63.286 63.100 0.003 0.000 0.763 220 P CB 0.386 32.106 31.700 0.035 0.000 0.807 221 V N 3.784 123.652 119.914 -0.075 0.000 2.398 221 V HA 0.564 4.685 4.120 0.001 0.000 0.286 221 V C 0.957 176.898 176.094 -0.255 0.000 1.026 221 V CA -0.272 61.930 62.300 -0.164 0.000 0.868 221 V CB 1.414 33.134 31.823 -0.172 0.000 0.982 221 V HN 0.719 nan 8.190 nan 0.000 0.443 222 G N 3.191 111.606 108.800 -0.642 0.000 2.412 222 G HA2 0.719 4.680 3.960 0.001 0.000 0.318 222 G HA3 0.719 4.680 3.960 0.001 0.000 0.318 222 G C -0.920 173.091 174.900 -1.481 0.000 1.146 222 G CA -0.388 44.132 45.100 -0.967 0.000 0.882 222 G HN 1.030 nan 8.290 nan 0.000 0.501 223 H N -1.287 117.184 119.070 -0.998 0.000 3.016 223 H HA 0.735 5.291 4.556 0.001 0.000 0.362 223 H C -0.885 174.415 175.328 -0.047 0.000 1.233 223 H CA -1.161 54.510 56.048 -0.629 0.000 1.124 223 H CB 1.770 31.382 29.762 -0.249 0.000 1.850 223 H HN 0.430 nan 8.280 nan 0.000 0.549 224 R N 1.902 122.604 120.500 0.337 0.000 2.439 224 R HA 0.244 4.585 4.340 0.001 0.000 0.310 224 R C -1.108 175.410 176.300 0.363 0.000 0.955 224 R CA -0.825 55.521 56.100 0.410 0.000 0.853 224 R CB 1.730 32.322 30.300 0.486 0.000 1.171 224 R HN 0.733 nan 8.270 nan 0.000 0.449 225 Q N 2.024 122.013 119.800 0.315 0.000 2.222 225 Q HA 0.272 4.613 4.340 0.001 0.000 0.252 225 Q C -0.737 175.374 176.000 0.185 0.000 0.926 225 Q CA -0.364 55.600 55.803 0.268 0.000 0.899 225 Q CB 2.422 31.332 28.738 0.286 0.000 1.250 225 Q HN 0.542 nan 8.270 nan 0.000 0.441 226 E N 1.464 121.751 120.200 0.146 0.000 2.448 226 E HA 0.161 4.511 4.350 0.001 0.000 0.288 226 E C -1.581 175.072 176.600 0.088 0.000 0.936 226 E CA -0.400 56.060 56.400 0.100 0.000 0.809 226 E CB 0.362 30.109 29.700 0.077 0.000 1.408 226 E HN 0.656 nan 8.360 nan 0.000 0.393 227 D N 3.282 123.734 120.400 0.087 0.000 2.803 227 D HA -0.212 4.428 4.640 0.001 0.000 0.233 227 D C 0.813 177.172 176.300 0.100 0.000 1.182 227 D CA 1.433 55.486 54.000 0.088 0.000 0.726 227 D CB -1.568 39.273 40.800 0.068 0.000 0.987 227 D HN 1.013 nan 8.370 nan 0.000 0.412 228 G N -0.480 108.391 108.800 0.120 0.000 2.205 228 G HA2 -0.281 3.680 3.960 0.001 0.000 0.261 228 G HA3 -0.281 3.680 3.960 0.001 0.000 0.261 228 G C -0.115 174.850 174.900 0.109 0.000 0.980 228 G CA 0.356 45.525 45.100 0.115 0.000 0.632 228 G HN 0.747 nan 8.290 nan 0.000 0.533 229 D N -0.807 119.660 120.400 0.112 0.000 2.575 229 D HA 0.495 5.136 4.640 0.001 0.000 0.236 229 D C 0.007 176.400 176.300 0.156 0.000 1.075 229 D CA -0.510 53.557 54.000 0.111 0.000 0.860 229 D CB 1.463 42.294 40.800 0.051 0.000 1.475 229 D HN 0.272 nan 8.370 nan 0.000 0.474 230 Y N 1.325 121.671 120.300 0.077 0.000 2.411 230 Y HA 0.305 4.855 4.550 0.001 0.000 0.333 230 Y C 0.636 176.602 175.900 0.110 0.000 1.186 230 Y CA -0.017 58.146 58.100 0.104 0.000 1.381 230 Y CB 0.858 39.347 38.460 0.049 0.000 1.273 230 Y HN 0.147 nan 8.280 nan 0.000 0.546 231 R N 2.038 122.524 120.500 -0.023 0.000 2.225 231 R HA 0.298 4.639 4.340 0.001 0.000 0.194 231 R C -0.602 175.645 176.300 -0.087 0.000 0.949 231 R CA 0.271 56.287 56.100 -0.140 0.000 1.088 231 R CB 0.055 30.380 30.300 0.041 0.000 1.106 231 R HN 0.906 nan 8.270 nan 0.000 0.566 232 E N -0.760 119.595 120.200 0.260 0.000 2.383 232 E HA 0.437 4.787 4.350 0.001 0.000 0.275 232 E C -1.280 175.679 176.600 0.598 0.000 0.918 232 E CA -0.543 56.119 56.400 0.438 0.000 0.764 232 E CB 2.540 32.518 29.700 0.464 0.000 1.252 232 E HN 0.056 nan 8.360 nan 0.000 0.449 233 S N 0.163 116.162 115.700 0.498 0.000 2.564 233 S HA 0.867 5.337 4.470 0.001 0.000 0.274 233 S C -1.712 173.036 174.600 0.247 0.000 1.124 233 S CA -1.064 57.187 58.200 0.084 0.000 0.869 233 S CB 0.957 64.101 63.200 -0.094 0.000 1.105 233 S HN 0.646 nan 8.310 nan 0.000 0.472 234 W N 0.168 121.540 121.300 0.121 0.000 3.074 234 W HA 0.816 5.477 4.660 0.001 0.000 0.332 234 W C -1.422 175.129 176.519 0.053 0.000 1.253 234 W CA -0.752 56.642 57.345 0.081 0.000 1.180 234 W CB 1.044 30.542 29.460 0.063 0.000 1.445 234 W HN 0.935 nan 8.180 nan 0.000 0.573 235 Q N 1.995 121.950 119.800 0.259 0.000 2.352 235 Q HA 0.446 4.786 4.340 0.001 0.000 0.270 235 Q C -2.885 173.207 176.000 0.153 0.000 1.006 235 Q CA -1.904 53.987 55.803 0.147 0.000 0.880 235 Q CB 3.531 32.305 28.738 0.060 0.000 1.392 235 Q HN 0.248 nan 8.270 nan 0.000 0.401 236 P HA 0.138 nan 4.420 nan 0.000 0.279 236 P C -1.456 175.944 177.300 0.166 0.000 1.252 236 P CA -0.438 62.727 63.100 0.107 0.000 0.811 236 P CB 0.877 32.618 31.700 0.069 0.000 1.035 237 Q N 1.361 121.235 119.800 0.125 0.000 2.296 237 Q HA 0.211 4.552 4.340 0.001 0.000 0.257 237 Q C -0.481 175.533 176.000 0.023 0.000 0.942 237 Q CA -0.305 55.573 55.803 0.124 0.000 0.939 237 Q CB 0.428 29.208 28.738 0.071 0.000 1.198 237 Q HN 0.121 nan 8.270 nan 0.000 0.429 238 Q N 3.683 123.459 119.800 -0.040 0.000 2.330 238 Q HA 0.365 4.706 4.340 0.001 0.000 0.279 238 Q C -1.053 174.935 176.000 -0.019 0.000 1.024 238 Q CA 0.987 56.768 55.803 -0.037 0.000 0.900 238 Q CB 0.423 29.115 28.738 -0.076 0.000 1.221 238 Q HN 0.838 nan 8.270 nan 0.000 0.396 239 M N 0.974 120.626 119.600 0.088 0.000 2.520 239 M HA 0.288 4.769 4.480 0.001 0.000 0.280 239 M C -0.348 176.027 176.300 0.124 0.000 1.232 239 M CA -0.854 54.568 55.300 0.203 0.000 0.892 239 M CB 2.285 35.013 32.600 0.213 0.000 1.728 239 M HN 0.704 nan 8.290 nan 0.000 0.475 240 S N 0.823 116.599 115.700 0.127 0.000 2.580 240 S HA 0.252 4.723 4.470 0.001 0.000 0.266 240 S C -2.142 172.487 174.600 0.047 0.000 1.354 240 S CA -0.689 57.556 58.200 0.074 0.000 1.008 240 S CB 0.054 63.294 63.200 0.067 0.000 0.898 240 S HN 0.485 nan 8.310 nan 0.000 0.555 241 P HA -0.064 nan 4.420 nan 0.000 0.216 241 P C 1.700 179.001 177.300 0.001 0.000 1.153 241 P CA 0.387 63.495 63.100 0.012 0.000 0.848 241 P CB -0.101 31.605 31.700 0.010 0.000 0.787 242 L N -0.057 121.170 121.223 0.008 0.000 2.046 242 L HA -0.102 4.238 4.340 0.001 0.000 0.208 242 L C 2.264 179.131 176.870 -0.005 0.000 1.077 242 L CA 2.071 56.911 54.840 0.000 0.000 0.747 242 L CB -1.700 40.364 42.059 0.008 0.000 0.896 242 L HN -0.109 nan 8.230 nan 0.000 0.432 243 A N -0.961 121.864 122.820 0.010 0.000 1.898 243 A HA -0.189 4.132 4.320 0.001 0.000 0.216 243 A C 2.249 179.824 177.584 -0.015 0.000 1.181 243 A CA 1.775 53.816 52.037 0.006 0.000 0.620 243 A CB -0.940 18.082 19.000 0.038 0.000 0.819 243 A HN 0.460 nan 8.150 nan 0.000 0.442 244 L N 0.345 121.560 121.223 -0.013 0.000 2.046 244 L HA -0.175 4.166 4.340 0.001 0.000 0.208 244 L C 2.394 179.193 176.870 -0.119 0.000 1.077 244 L CA 2.768 57.573 54.840 -0.058 0.000 0.747 244 L CB -0.585 41.447 42.059 -0.045 0.000 0.896 244 L HN 0.645 nan 8.230 nan 0.000 0.432 245 E N -0.395 119.751 120.200 -0.091 0.000 2.058 245 E HA -0.291 4.060 4.350 0.001 0.000 0.194 245 E C 2.259 178.793 176.600 -0.110 0.000 0.997 245 E CA 1.475 57.810 56.400 -0.107 0.000 0.801 245 E CB -0.172 29.492 29.700 -0.061 0.000 0.746 245 E HN 0.534 nan 8.360 nan 0.000 0.450 246 R N 0.208 120.664 120.500 -0.073 0.000 2.096 246 R HA -0.063 4.278 4.340 0.001 0.000 0.235 246 R C 2.513 178.767 176.300 -0.078 0.000 1.127 246 R CA 1.080 57.144 56.100 -0.059 0.000 0.968 246 R CB -0.347 29.933 30.300 -0.032 0.000 0.861 246 R HN 0.231 nan 8.270 nan 0.000 0.440 247 A N 1.349 124.111 122.820 -0.097 0.000 1.902 247 A HA -0.216 4.105 4.320 0.001 0.000 0.217 247 A C 2.050 179.522 177.584 -0.186 0.000 1.181 247 A CA 1.256 53.227 52.037 -0.110 0.000 0.623 247 A CB -0.354 18.584 19.000 -0.104 0.000 0.818 247 A HN 0.327 nan 8.150 nan 0.000 0.443 248 Q N -0.923 118.676 119.800 -0.334 0.000 2.119 248 Q HA -0.170 4.170 4.340 0.001 0.000 0.201 248 Q C 2.022 177.872 176.000 -0.250 0.000 0.972 248 Q CA 1.400 56.823 55.803 -0.634 0.000 0.847 248 Q CB -0.121 27.953 28.738 -1.106 0.000 0.903 248 Q HN 0.799 nan 8.270 nan 0.000 0.433 249 E N 0.746 120.861 120.200 -0.143 0.000 2.051 249 E HA -0.182 4.169 4.350 0.001 0.000 0.192 249 E C 1.897 178.475 176.600 -0.037 0.000 0.991 249 E CA 0.945 57.313 56.400 -0.053 0.000 0.799 249 E CB 0.016 29.685 29.700 -0.051 0.000 0.748 249 E HN 0.297 nan 8.360 nan 0.000 0.449 250 I N 0.640 121.181 120.570 -0.050 0.000 2.142 250 I HA -0.290 3.880 4.170 0.001 0.000 0.240 250 I C 2.516 178.607 176.117 -0.043 0.000 1.078 250 I CA 1.097 62.367 61.300 -0.049 0.000 1.343 250 I CB -0.360 37.630 38.000 -0.017 0.000 1.046 250 I HN 0.139 nan 8.210 nan 0.000 0.405 251 A N 0.811 123.636 122.820 0.007 0.000 1.940 251 A HA -0.262 4.059 4.320 0.001 0.000 0.219 251 A C 2.450 180.066 177.584 0.053 0.000 1.176 251 A CA 1.953 54.027 52.037 0.062 0.000 0.631 251 A CB -0.722 18.370 19.000 0.153 0.000 0.814 251 A HN 0.414 nan 8.150 nan 0.000 0.446 252 R N -0.153 120.429 120.500 0.137 0.000 2.070 252 R HA -0.176 4.164 4.340 0.001 0.000 0.233 252 R C 2.111 178.381 176.300 -0.050 0.000 1.137 252 R CA 2.000 58.148 56.100 0.080 0.000 0.945 252 R CB -0.329 30.076 30.300 0.176 0.000 0.845 252 R HN 0.472 nan 8.270 nan 0.000 0.430 253 K N -0.147 120.218 120.400 -0.057 0.000 2.032 253 K HA -0.124 4.196 4.320 0.001 0.000 0.209 253 K C 2.046 178.552 176.600 -0.157 0.000 1.048 253 K CA 1.767 57.996 56.287 -0.098 0.000 0.927 253 K CB -0.135 32.305 32.500 -0.100 0.000 0.712 253 K HN 0.040 nan 8.250 nan 0.000 0.441 254 V N 0.905 120.698 119.914 -0.202 0.000 2.295 254 V HA -0.240 3.881 4.120 0.001 0.000 0.246 254 V C 2.276 178.192 176.094 -0.296 0.000 1.049 254 V CA 1.954 64.096 62.300 -0.264 0.000 1.024 254 V CB -0.312 31.318 31.823 -0.322 0.000 0.648 254 V HN 0.326 nan 8.190 nan 0.000 0.447 255 V N -1.837 117.833 119.914 -0.407 0.000 2.343 255 V HA -0.183 3.938 4.120 0.001 0.000 0.247 255 V C 2.307 178.136 176.094 -0.442 0.000 1.051 255 V CA 1.809 63.644 62.300 -0.774 0.000 1.036 255 V CB -0.765 30.414 31.823 -1.073 0.000 0.654 255 V HN 0.366 nan 8.190 nan 0.000 0.451 256 L N 1.049 122.127 121.223 -0.242 0.000 2.093 256 L HA 0.151 4.492 4.340 0.001 0.000 0.208 256 L C 2.864 179.677 176.870 -0.094 0.000 1.085 256 L CA 2.042 56.809 54.840 -0.120 0.000 0.755 256 L CB -1.623 40.389 42.059 -0.080 0.000 0.904 256 L HN 0.440 nan 8.230 nan 0.000 0.435 257 A N -0.826 121.925 122.820 -0.115 0.000 1.902 257 A HA -0.165 4.156 4.320 0.001 0.000 0.217 257 A C 2.304 179.857 177.584 -0.052 0.000 1.181 257 A CA 1.506 53.494 52.037 -0.082 0.000 0.623 257 A CB -0.710 18.230 19.000 -0.099 0.000 0.818 257 A HN 0.385 nan 8.150 nan 0.000 0.443 258 L N -1.038 120.149 121.223 -0.061 0.000 2.131 258 L HA 0.082 4.422 4.340 0.001 0.000 0.210 258 L C 1.457 178.379 176.870 0.086 0.000 1.092 258 L CA 0.562 55.424 54.840 0.037 0.000 0.759 258 L CB -1.116 41.024 42.059 0.135 0.000 0.903 258 L HN 0.677 nan 8.230 nan 0.000 0.435 259 G N -0.852 107.984 108.800 0.060 0.000 2.785 259 G HA2 0.198 4.159 3.960 0.001 0.000 0.685 259 G HA3 0.198 4.159 3.960 0.001 0.000 0.685 259 G C 0.134 175.147 174.900 0.189 0.000 1.480 259 G CA -0.382 44.769 45.100 0.085 0.000 0.915 259 G HN 0.840 nan 8.290 nan 0.000 0.576 260 G N -0.780 108.083 108.800 0.106 0.000 2.746 260 G HA2 0.306 4.266 3.960 0.001 0.000 0.685 260 G HA3 0.306 4.266 3.960 0.001 0.000 0.685 260 G C -0.443 174.613 174.900 0.260 0.000 1.350 260 G CA 0.130 45.267 45.100 0.060 0.000 0.837 260 G HN 1.856 nan 8.290 nan 0.000 0.564 261 Y N 0.573 120.978 120.300 0.175 0.000 2.304 261 Y HA 0.657 5.208 4.550 0.001 0.000 0.328 261 Y C 1.235 177.234 175.900 0.165 0.000 1.123 261 Y CA -0.134 58.074 58.100 0.180 0.000 1.218 261 Y CB 1.315 39.852 38.460 0.127 0.000 1.207 261 Y HN 1.726 nan 8.280 nan 0.000 0.495 262 G N 1.271 110.292 108.800 0.369 0.000 2.320 262 G HA2 0.292 4.252 3.960 0.001 0.000 0.297 262 G HA3 0.292 4.252 3.960 0.001 0.000 0.297 262 G C -2.406 172.683 174.900 0.315 0.000 1.344 262 G CA -1.170 44.089 45.100 0.264 0.000 0.851 262 G HN 0.655 nan 8.290 nan 0.000 0.567 263 L N -0.110 121.351 121.223 0.396 0.000 2.295 263 L HA 0.879 5.220 4.340 0.001 0.000 0.285 263 L C -1.163 175.667 176.870 -0.067 0.000 1.035 263 L CA -0.832 54.103 54.840 0.159 0.000 0.806 263 L CB 0.712 42.790 42.059 0.032 0.000 1.214 263 L HN 0.402 nan 8.230 nan 0.000 0.426 264 F N 2.244 122.199 119.950 0.008 0.000 2.522 264 F HA 0.584 5.111 4.527 0.001 0.000 0.324 264 F C 0.827 176.607 175.800 -0.032 0.000 1.077 264 F CA -0.774 57.225 58.000 -0.002 0.000 0.944 264 F CB 2.021 41.043 39.000 0.038 0.000 1.175 264 F HN 0.478 nan 8.300 nan 0.000 0.468 265 G N 2.013 110.897 108.800 0.139 0.000 2.922 265 G HA2 0.469 4.429 3.960 0.001 0.000 0.335 265 G HA3 0.469 4.429 3.960 0.001 0.000 0.335 265 G C -1.001 173.876 174.900 -0.038 0.000 1.016 265 G CA -0.418 44.674 45.100 -0.014 0.000 1.306 265 G HN 0.441 nan 8.290 nan 0.000 0.465 266 V N 2.933 122.832 119.914 -0.025 0.000 2.370 266 V HA 0.096 4.216 4.120 0.001 0.000 0.257 266 V C 0.448 176.454 176.094 -0.147 0.000 1.064 266 V CA -0.322 61.983 62.300 0.009 0.000 0.975 266 V CB 0.179 32.059 31.823 0.095 0.000 1.067 266 V HN 0.652 nan 8.190 nan 0.000 0.485 267 E N 5.787 125.841 120.200 -0.244 0.000 2.223 267 E HA 0.535 4.886 4.350 0.001 0.000 0.282 267 E C -0.779 175.532 176.600 -0.482 0.000 1.046 267 E CA -0.197 55.986 56.400 -0.361 0.000 0.857 267 E CB 1.119 30.598 29.700 -0.368 0.000 1.055 267 E HN 0.544 nan 8.360 nan 0.000 0.409 268 L N 2.512 123.483 121.223 -0.420 0.000 2.350 268 L HA 0.568 4.908 4.340 0.001 0.000 0.260 268 L C -0.855 175.730 176.870 -0.475 0.000 1.015 268 L CA -1.084 53.501 54.840 -0.425 0.000 0.821 268 L CB 1.189 43.142 42.059 -0.177 0.000 1.370 268 L HN 0.388 nan 8.230 nan 0.000 0.416 269 F N 0.722 120.514 119.950 -0.263 0.000 2.482 269 F HA 0.612 5.140 4.527 0.001 0.000 0.331 269 F C -0.095 175.549 175.800 -0.259 0.000 1.115 269 F CA -1.062 56.711 58.000 -0.377 0.000 0.955 269 F CB 2.051 40.878 39.000 -0.288 0.000 1.136 269 F HN -0.092 nan 8.300 nan 0.000 0.452 270 V N 2.163 121.967 119.914 -0.183 0.000 2.459 270 V HA 0.392 4.512 4.120 0.001 0.000 0.295 270 V C -0.669 175.265 176.094 -0.267 0.000 1.029 270 V CA -0.675 61.421 62.300 -0.340 0.000 0.874 270 V CB 1.672 33.030 31.823 -0.775 0.000 0.985 270 V HN 0.875 nan 8.190 nan 0.000 0.438 271 C N 5.003 124.231 119.300 -0.120 0.000 2.647 271 C HA 0.718 5.178 4.460 0.001 0.000 0.273 271 C C 1.321 176.294 174.990 -0.029 0.000 1.088 271 C CA 0.142 59.133 59.018 -0.045 0.000 1.529 271 C CB -0.702 27.046 27.740 0.013 0.000 1.810 271 C HN 1.344 nan 8.230 nan 0.000 0.422 272 G N 3.590 112.379 108.800 -0.019 0.000 2.620 272 G HA2 -0.280 3.680 3.960 0.001 0.000 0.315 272 G HA3 -0.280 3.680 3.960 0.001 0.000 0.315 272 G C 0.544 175.461 174.900 0.029 0.000 1.179 272 G CA 0.981 46.102 45.100 0.035 0.000 0.971 272 G HN 0.507 nan 8.290 nan 0.000 0.544 273 D N 2.393 122.808 120.400 0.024 0.000 2.339 273 D HA 0.250 4.891 4.640 0.001 0.000 0.217 273 D C 0.917 177.221 176.300 0.006 0.000 1.050 273 D CA 0.618 54.630 54.000 0.021 0.000 0.856 273 D CB 0.331 41.143 40.800 0.021 0.000 0.922 273 D HN 0.609 nan 8.370 nan 0.000 0.518 274 E N 0.055 120.255 120.200 0.001 0.000 2.242 274 E HA 0.440 4.791 4.350 0.001 0.000 0.275 274 E C -0.621 175.975 176.600 -0.006 0.000 1.002 274 E CA -0.532 55.871 56.400 0.004 0.000 0.841 274 E CB 2.415 32.126 29.700 0.017 0.000 1.109 274 E HN -0.243 nan 8.360 nan 0.000 0.394 275 V N 3.675 123.592 119.914 0.005 0.000 2.656 275 V HA 0.464 4.585 4.120 0.001 0.000 0.307 275 V C -0.567 175.552 176.094 0.042 0.000 1.051 275 V CA -0.725 61.577 62.300 0.003 0.000 0.893 275 V CB 1.414 33.227 31.823 -0.017 0.000 0.999 275 V HN 0.523 nan 8.190 nan 0.000 0.426 276 I N 4.173 124.779 120.570 0.060 0.000 2.466 276 I HA 0.410 4.580 4.170 0.001 0.000 0.289 276 I C -0.518 175.609 176.117 0.017 0.000 1.026 276 I CA -0.358 61.005 61.300 0.104 0.000 1.078 276 I CB 1.868 39.994 38.000 0.210 0.000 1.249 276 I HN 0.598 nan 8.210 nan 0.000 0.429 277 F N 5.394 125.294 119.950 -0.083 0.000 2.484 277 F HA 0.248 4.775 4.527 0.001 0.000 0.360 277 F C 1.153 176.823 175.800 -0.217 0.000 1.101 277 F CA 0.728 58.636 58.000 -0.153 0.000 1.251 277 F CB 1.242 40.188 39.000 -0.090 0.000 1.132 277 F HN 0.568 nan 8.300 nan 0.000 0.570 278 S N 3.163 118.097 115.700 -1.277 0.000 2.942 278 S HA 0.255 4.726 4.470 0.001 0.000 0.220 278 S C -0.219 173.663 174.600 -1.197 0.000 0.945 278 S CA 0.505 58.067 58.200 -1.062 0.000 0.851 278 S CB -0.227 62.288 63.200 -1.142 0.000 0.820 278 S HN 0.855 nan 8.310 nan 0.000 0.624 279 E N -0.899 118.553 120.200 -1.247 0.000 2.425 279 E HA 0.662 5.012 4.350 0.001 0.000 0.272 279 E C -1.685 174.717 176.600 -0.329 0.000 1.061 279 E CA -1.000 54.993 56.400 -0.677 0.000 0.877 279 E CB 1.602 31.153 29.700 -0.249 0.000 1.590 279 E HN 0.221 nan 8.360 nan 0.000 0.462 280 V N 0.886 120.827 119.914 0.045 0.000 2.924 280 V HA 0.517 4.637 4.120 0.001 0.000 0.300 280 V C -1.615 174.576 176.094 0.161 0.000 1.227 280 V CA 0.032 62.430 62.300 0.164 0.000 0.954 280 V CB 2.213 34.235 31.823 0.331 0.000 1.055 280 V HN 0.907 nan 8.190 nan 0.000 0.429 281 S N 7.078 122.877 115.700 0.164 0.000 2.457 281 S HA 0.616 5.087 4.470 0.001 0.000 0.289 281 S C -2.438 172.211 174.600 0.080 0.000 1.163 281 S CA -1.434 56.827 58.200 0.102 0.000 1.078 281 S CB 1.574 64.827 63.200 0.087 0.000 0.987 281 S HN 0.736 nan 8.310 nan 0.000 0.482 282 P HA 0.240 nan 4.420 nan 0.000 0.214 282 P C -0.390 176.659 177.300 -0.418 0.000 1.807 282 P CA -0.217 62.755 63.100 -0.213 0.000 0.921 282 P CB -0.752 30.919 31.700 -0.048 0.000 1.835 283 R N -2.368 117.904 120.500 -0.379 0.000 2.979 283 R HA 0.413 4.753 4.340 0.001 0.000 0.286 283 R C -3.446 172.614 176.300 -0.400 0.000 0.972 283 R CA -1.966 53.827 56.100 -0.511 0.000 0.828 283 R CB -0.956 29.151 30.300 -0.322 0.000 1.368 283 R HN -0.291 nan 8.270 nan 0.000 0.511 284 P HA -0.028 nan 4.420 nan 0.000 0.265 284 P C -1.004 176.193 177.300 -0.171 0.000 1.187 284 P CA 0.349 63.242 63.100 -0.346 0.000 0.766 284 P CB 0.262 31.750 31.700 -0.353 0.000 0.820 285 H N 3.074 121.989 119.070 -0.258 0.000 2.463 285 H HA 0.071 4.628 4.556 0.001 0.000 0.332 285 H C 0.746 175.952 175.328 -0.204 0.000 1.127 285 H CA -0.398 55.523 56.048 -0.212 0.000 1.238 285 H CB 1.334 30.958 29.762 -0.231 0.000 1.478 285 H HN 0.405 nan 8.280 nan 0.000 0.499 286 D N 2.124 122.266 120.400 -0.431 0.000 2.123 286 D HA -0.224 4.416 4.640 0.001 0.000 0.196 286 D C 1.720 177.800 176.300 -0.367 0.000 0.992 286 D CA 1.983 55.852 54.000 -0.218 0.000 0.833 286 D CB -0.891 39.857 40.800 -0.086 0.000 0.954 286 D HN 0.644 nan 8.370 nan 0.000 0.455 287 T N -2.615 111.626 114.554 -0.522 0.000 2.881 287 T HA -0.021 4.330 4.350 0.001 0.000 0.270 287 T C 2.098 176.589 174.700 -0.348 0.000 1.068 287 T CA 1.203 62.838 62.100 -0.776 0.000 1.131 287 T CB -1.064 67.425 68.868 -0.631 0.000 0.871 287 T HN 0.288 nan 8.240 nan 0.000 0.479 288 G N 0.458 109.152 108.800 -0.176 0.000 2.776 288 G HA2 0.109 4.069 3.960 0.001 0.000 0.209 288 G HA3 0.109 4.069 3.960 0.001 0.000 0.209 288 G C 1.350 176.195 174.900 -0.093 0.000 1.145 288 G CA -0.020 44.984 45.100 -0.159 0.000 0.791 288 G HN 0.489 nan 8.290 nan 0.000 0.530 289 M N 0.077 119.686 119.600 0.015 0.000 2.446 289 M HA -0.022 4.458 4.480 0.001 0.000 0.263 289 M C 2.492 178.896 176.300 0.174 0.000 1.066 289 M CA 0.518 55.940 55.300 0.204 0.000 1.087 289 M CB 0.013 32.794 32.600 0.300 0.000 1.406 289 M HN 0.191 nan 8.290 nan 0.000 0.459 290 V N 0.565 120.540 119.914 0.102 0.000 2.594 290 V HA -0.216 3.904 4.120 0.001 0.000 0.253 290 V C 2.239 178.392 176.094 0.097 0.000 1.069 290 V CA 2.443 64.811 62.300 0.114 0.000 1.082 290 V CB -0.679 31.200 31.823 0.094 0.000 0.680 290 V HN 0.676 nan 8.190 nan 0.000 0.469 291 T N -2.173 112.414 114.554 0.054 0.000 3.051 291 T HA -0.063 4.288 4.350 0.001 0.000 0.269 291 T C 1.721 176.477 174.700 0.094 0.000 1.127 291 T CA 1.340 63.459 62.100 0.032 0.000 1.107 291 T CB -0.523 68.314 68.868 -0.053 0.000 0.898 291 T HN 0.497 nan 8.240 nan 0.000 0.517 292 L N -0.564 120.754 121.223 0.159 0.000 2.362 292 L HA 0.278 4.619 4.340 0.001 0.000 0.219 292 L C 2.288 179.250 176.870 0.154 0.000 1.134 292 L CA 0.951 55.903 54.840 0.187 0.000 0.807 292 L CB -0.251 41.934 42.059 0.209 0.000 0.927 292 L HN 0.346 nan 8.230 nan 0.000 0.447 293 I N -2.023 118.637 120.570 0.150 0.000 4.338 293 I HA -0.081 4.090 4.170 0.001 0.000 0.315 293 I C 2.176 178.423 176.117 0.217 0.000 1.262 293 I CA 0.448 61.845 61.300 0.163 0.000 1.298 293 I CB 0.509 38.589 38.000 0.133 0.000 1.257 293 I HN 0.131 nan 8.210 nan 0.000 0.444 294 S N -0.140 115.660 115.700 0.167 0.000 2.558 294 S HA 0.204 4.675 4.470 0.001 0.000 0.217 294 S C 0.552 175.165 174.600 0.021 0.000 0.975 294 S CA -0.206 58.087 58.200 0.156 0.000 0.912 294 S CB -0.038 63.222 63.200 0.100 0.000 0.776 294 S HN 0.469 nan 8.310 nan 0.000 0.526 295 Q N 0.407 120.172 119.800 -0.059 0.000 2.544 295 Q HA 0.310 4.651 4.340 0.001 0.000 0.291 295 Q C -0.288 175.507 176.000 -0.342 0.000 1.068 295 Q CA -0.535 55.049 55.803 -0.364 0.000 0.785 295 Q CB 1.400 30.017 28.738 -0.202 0.000 1.481 295 Q HN 0.231 nan 8.270 nan 0.000 0.430 296 D N 0.222 120.328 120.400 -0.490 0.000 2.117 296 D HA -0.089 4.552 4.640 0.001 0.000 0.198 296 D C 0.243 176.532 176.300 -0.019 0.000 0.982 296 D CA 1.211 55.147 54.000 -0.108 0.000 0.828 296 D CB 0.152 40.905 40.800 -0.077 0.000 0.967 296 D HN 0.283 nan 8.370 nan 0.000 0.464 297 L N 1.607 122.785 121.223 -0.075 0.000 2.298 297 L HA 0.300 4.641 4.340 0.001 0.000 0.284 297 L C 0.517 177.365 176.870 -0.036 0.000 1.013 297 L CA -0.851 53.963 54.840 -0.043 0.000 0.824 297 L CB 1.802 43.817 42.059 -0.074 0.000 1.221 297 L HN 0.006 nan 8.230 nan 0.000 0.418 298 S N 0.812 116.526 115.700 0.023 0.000 2.598 298 S HA 0.012 4.483 4.470 0.001 0.000 0.256 298 S C 1.131 175.683 174.600 -0.080 0.000 1.350 298 S CA 0.014 58.232 58.200 0.031 0.000 0.984 298 S CB 0.604 63.928 63.200 0.208 0.000 0.930 298 S HN 0.806 nan 8.310 nan 0.000 0.577 299 E N 0.372 120.414 120.200 -0.263 0.000 2.204 299 E HA -0.171 4.180 4.350 0.001 0.000 0.195 299 E C 1.298 177.662 176.600 -0.393 0.000 0.990 299 E CA 1.167 57.331 56.400 -0.394 0.000 0.821 299 E CB -0.677 28.683 29.700 -0.568 0.000 0.750 299 E HN 0.713 nan 8.360 nan 0.000 0.477 300 F N 2.010 121.961 119.950 0.001 0.000 2.146 300 F HA 0.034 4.561 4.527 0.001 0.000 0.298 300 F C 2.728 178.537 175.800 0.016 0.000 1.096 300 F CA 0.914 58.929 58.000 0.026 0.000 1.275 300 F CB -0.741 38.264 39.000 0.009 0.000 1.008 300 F HN 0.115 nan 8.300 nan 0.000 0.480 301 A N 0.528 123.431 122.820 0.139 0.000 1.902 301 A HA -0.102 4.219 4.320 0.001 0.000 0.217 301 A C 2.235 179.788 177.584 -0.052 0.000 1.181 301 A CA 1.400 53.452 52.037 0.024 0.000 0.623 301 A CB -1.143 17.863 19.000 0.010 0.000 0.818 301 A HN 0.404 nan 8.150 nan 0.000 0.443 302 L N -1.680 119.514 121.223 -0.048 0.000 2.046 302 L HA -0.195 4.145 4.340 0.001 0.000 0.208 302 L C 2.662 179.504 176.870 -0.047 0.000 1.077 302 L CA 1.680 56.472 54.840 -0.079 0.000 0.747 302 L CB -0.657 41.350 42.059 -0.085 0.000 0.896 302 L HN 0.560 nan 8.230 nan 0.000 0.432 303 H N -0.197 118.812 119.070 -0.102 0.000 2.321 303 H HA -0.149 4.408 4.556 0.001 0.000 0.300 303 H C 2.130 177.340 175.328 -0.197 0.000 1.087 303 H CA 1.905 57.933 56.048 -0.034 0.000 1.319 303 H CB -0.216 29.580 29.762 0.056 0.000 1.379 303 H HN -0.017 nan 8.280 nan 0.000 0.501 304 V N 0.784 120.464 119.914 -0.389 0.000 2.287 304 V HA -0.285 3.836 4.120 0.001 0.000 0.248 304 V C 2.715 178.269 176.094 -0.900 0.000 1.053 304 V CA 2.292 63.978 62.300 -1.023 0.000 1.027 304 V CB -0.608 30.913 31.823 -0.502 0.000 0.646 304 V HN 0.393 nan 8.190 nan 0.000 0.447 305 R N 0.052 120.277 120.500 -0.458 0.000 2.083 305 R HA -0.184 4.156 4.340 0.001 0.000 0.237 305 R C 2.297 178.402 176.300 -0.326 0.000 1.137 305 R CA 1.806 57.702 56.100 -0.341 0.000 0.951 305 R CB -0.480 29.680 30.300 -0.232 0.000 0.851 305 R HN 0.495 nan 8.270 nan 0.000 0.434 306 A N 0.906 123.559 122.820 -0.278 0.000 1.877 306 A HA -0.171 4.149 4.320 0.001 0.000 0.216 306 A C 1.990 179.550 177.584 -0.039 0.000 1.186 306 A CA 1.499 53.433 52.037 -0.172 0.000 0.620 306 A CB -0.871 18.094 19.000 -0.059 0.000 0.822 306 A HN 0.615 nan 8.150 nan 0.000 0.443 307 F N 0.088 119.958 119.950 -0.134 0.000 2.293 307 F HA 0.038 4.566 4.527 0.001 0.000 0.300 307 F C 1.420 177.133 175.800 -0.145 0.000 1.086 307 F CA 0.937 58.862 58.000 -0.126 0.000 1.375 307 F CB -0.858 37.950 39.000 -0.319 0.000 1.045 307 F HN 0.082 nan 8.300 nan 0.000 0.516 308 L N 0.609 121.663 121.223 -0.282 0.000 2.552 308 L HA 0.223 4.563 4.340 0.001 0.000 0.227 308 L C 1.947 178.849 176.870 0.053 0.000 1.146 308 L CA 0.820 55.565 54.840 -0.158 0.000 0.858 308 L CB -0.960 40.927 42.059 -0.288 0.000 0.969 308 L HN 0.600 nan 8.230 nan 0.000 0.451 309 G N 0.023 108.872 108.800 0.082 0.000 2.157 309 G HA2 -0.247 3.714 3.960 0.001 0.000 0.239 309 G HA3 -0.247 3.714 3.960 0.001 0.000 0.239 309 G C 0.165 175.049 174.900 -0.026 0.000 0.982 309 G CA -0.309 44.865 45.100 0.124 0.000 0.650 309 G HN 0.198 nan 8.290 nan 0.000 0.527 310 L N 2.069 123.233 121.223 -0.098 0.000 2.395 310 L HA 0.475 4.816 4.340 0.001 0.000 0.269 310 L C -1.365 175.407 176.870 -0.163 0.000 1.133 310 L CA -2.149 52.621 54.840 -0.117 0.000 0.812 310 L CB 0.830 42.811 42.059 -0.130 0.000 1.125 310 L HN -0.025 nan 8.230 nan 0.000 0.452 311 P HA 0.072 nan 4.420 nan 0.000 0.278 311 P C 0.497 177.679 177.300 -0.196 0.000 1.238 311 P CA -0.366 62.644 63.100 -0.150 0.000 0.794 311 P CB 1.689 33.335 31.700 -0.090 0.000 0.955 312 V N 2.048 121.785 119.914 -0.295 0.000 2.407 312 V HA -0.015 4.106 4.120 0.001 0.000 0.245 312 V C 2.216 178.105 176.094 -0.343 0.000 1.041 312 V CA 2.427 64.473 62.300 -0.425 0.000 1.040 312 V CB -1.626 29.706 31.823 -0.818 0.000 0.671 312 V HN 0.981 nan 8.190 nan 0.000 0.455 313 G N -0.072 108.568 108.800 -0.266 0.000 4.148 313 G HA2 -0.142 3.819 3.960 0.001 0.000 0.221 313 G HA3 -0.142 3.819 3.960 0.001 0.000 0.221 313 G C 0.633 175.496 174.900 -0.063 0.000 1.373 313 G CA 0.129 45.174 45.100 -0.091 0.000 0.940 313 G HN 1.692 nan 8.290 nan 0.000 0.610 314 G N -1.221 107.492 108.800 -0.145 0.000 2.387 314 G HA2 0.601 4.561 3.960 0.001 0.000 0.294 314 G HA3 0.601 4.561 3.960 0.001 0.000 0.294 314 G C -1.608 173.234 174.900 -0.097 0.000 1.509 314 G CA -0.221 44.840 45.100 -0.064 0.000 0.806 314 G HN 1.001 nan 8.290 nan 0.000 0.546 315 I N 0.327 120.861 120.570 -0.060 0.000 2.436 315 I HA 0.516 4.687 4.170 0.001 0.000 0.289 315 I C 0.156 176.217 176.117 -0.093 0.000 1.010 315 I CA -0.812 60.435 61.300 -0.087 0.000 1.098 315 I CB 2.271 40.227 38.000 -0.073 0.000 1.266 315 I HN 0.493 nan 8.210 nan 0.000 0.434 316 R N 5.091 125.498 120.500 -0.156 0.000 2.297 316 R HA 0.338 4.679 4.340 0.001 0.000 0.308 316 R C -0.722 175.367 176.300 -0.351 0.000 1.029 316 R CA -0.310 55.663 56.100 -0.211 0.000 0.929 316 R CB 1.011 31.176 30.300 -0.224 0.000 1.046 316 R HN 0.515 nan 8.270 nan 0.000 0.461 317 Q N 4.417 124.081 119.800 -0.228 0.000 2.333 317 Q HA 0.106 4.446 4.340 0.001 0.000 0.265 317 Q C -0.678 175.267 176.000 -0.092 0.000 0.989 317 Q CA -0.309 55.381 55.803 -0.189 0.000 0.842 317 Q CB 1.245 29.947 28.738 -0.059 0.000 1.262 317 Q HN 0.882 nan 8.270 nan 0.000 0.451 318 Y N 1.690 122.008 120.300 0.030 0.000 2.529 318 Y HA 0.229 4.779 4.550 0.001 0.000 0.290 318 Y C 1.371 177.289 175.900 0.030 0.000 1.177 318 Y CA 0.293 58.410 58.100 0.028 0.000 1.305 318 Y CB 0.732 39.209 38.460 0.028 0.000 1.047 318 Y HN 0.843 nan 8.280 nan 0.000 0.522 319 G N -0.100 108.794 108.800 0.157 0.000 2.384 319 G HA2 -0.118 3.842 3.960 0.001 0.000 0.668 319 G HA3 -0.118 3.842 3.960 0.001 0.000 0.668 319 G C -3.074 171.889 174.900 0.105 0.000 1.280 319 G CA -1.613 43.553 45.100 0.110 0.000 0.992 319 G HN -0.174 nan 8.290 nan 0.000 0.512 320 P HA 0.420 nan 4.420 nan 0.000 0.261 320 P C 0.079 177.444 177.300 0.108 0.000 1.183 320 P CA 1.359 64.514 63.100 0.092 0.000 0.761 320 P CB 0.848 32.585 31.700 0.062 0.000 0.785 321 A N 2.480 125.383 122.820 0.138 0.000 2.609 321 A HA 0.891 5.212 4.320 0.001 0.000 0.291 321 A C -1.470 176.238 177.584 0.205 0.000 1.096 321 A CA -0.259 51.868 52.037 0.150 0.000 0.684 321 A CB 1.766 20.852 19.000 0.143 0.000 1.282 321 A HN 0.536 nan 8.150 nan 0.000 0.412 322 A N -0.053 122.887 122.820 0.200 0.000 2.609 322 A HA 0.930 5.250 4.320 0.001 0.000 0.291 322 A C -0.347 177.371 177.584 0.223 0.000 1.096 322 A CA 0.190 52.383 52.037 0.259 0.000 0.684 322 A CB 1.137 20.300 19.000 0.271 0.000 1.282 322 A HN 2.408 nan 8.150 nan 0.000 0.412 323 S N -0.319 115.542 115.700 0.268 0.000 2.599 323 S HA 0.920 5.391 4.470 0.001 0.000 0.294 323 S C -0.531 174.226 174.600 0.261 0.000 1.094 323 S CA -0.090 58.263 58.200 0.255 0.000 0.931 323 S CB 1.909 65.293 63.200 0.307 0.000 1.093 323 S HN 2.386 nan 8.310 nan 0.000 0.488 324 A N 1.575 124.495 122.820 0.166 0.000 2.408 324 A HA 0.683 5.004 4.320 0.001 0.000 0.295 324 A C -0.071 177.507 177.584 -0.010 0.000 1.040 324 A CA -0.588 51.497 52.037 0.080 0.000 0.707 324 A CB 1.000 20.046 19.000 0.076 0.000 1.235 324 A HN 2.003 nan 8.150 nan 0.000 0.418 325 V N 0.918 120.752 119.914 -0.132 0.000 2.924 325 V HA 0.565 4.686 4.120 0.001 0.000 0.305 325 V C 0.053 176.092 176.094 -0.091 0.000 1.073 325 V CA -0.070 62.146 62.300 -0.140 0.000 1.098 325 V CB 0.583 32.248 31.823 -0.264 0.000 1.000 325 V HN 0.596 nan 8.190 nan 0.000 0.484 326 I N 4.745 125.257 120.570 -0.097 0.000 2.347 326 I HA 0.359 4.529 4.170 0.001 0.000 0.283 326 I C -0.380 175.710 176.117 -0.044 0.000 1.058 326 I CA -0.130 61.123 61.300 -0.078 0.000 1.202 326 I CB 1.197 39.124 38.000 -0.121 0.000 1.386 326 I HN 0.564 nan 8.210 nan 0.000 0.475 327 L N 9.777 130.984 121.223 -0.026 0.000 2.502 327 L HA 0.538 4.879 4.340 0.001 0.000 0.247 327 L C -2.126 174.745 176.870 0.001 0.000 1.180 327 L CA -1.327 53.508 54.840 -0.008 0.000 0.956 327 L CB 0.280 42.323 42.059 -0.026 0.000 1.282 327 L HN 0.261 nan 8.230 nan 0.000 0.470 328 P HA 0.140 nan 4.420 nan 0.000 0.275 328 P C -1.354 175.945 177.300 -0.001 0.000 1.266 328 P CA -0.378 62.724 63.100 0.004 0.000 0.793 328 P CB 0.697 32.399 31.700 0.004 0.000 1.074 329 Q N 0.806 120.600 119.800 -0.010 0.000 2.414 329 Q HA 0.583 4.923 4.340 0.001 0.000 0.256 329 Q C -1.175 174.814 176.000 -0.018 0.000 0.974 329 Q CA -0.542 55.255 55.803 -0.010 0.000 0.723 329 Q CB 0.291 29.026 28.738 -0.006 0.000 1.281 329 Q HN 0.553 nan 8.270 nan 0.000 0.470 330 L N -0.500 120.710 121.223 -0.022 0.000 2.933 330 L HA 0.771 5.112 4.340 0.001 0.000 0.271 330 L C -1.467 175.387 176.870 -0.028 0.000 1.071 330 L CA -0.866 53.956 54.840 -0.029 0.000 0.938 330 L CB 2.210 44.243 42.059 -0.044 0.000 1.534 330 L HN 0.185 nan 8.230 nan 0.000 0.396 331 T N 0.927 115.463 114.554 -0.030 0.000 2.890 331 T HA 0.703 5.053 4.350 0.001 0.000 0.295 331 T C -0.895 173.785 174.700 -0.032 0.000 0.993 331 T CA -0.411 61.672 62.100 -0.028 0.000 0.979 331 T CB 1.179 70.034 68.868 -0.022 0.000 0.967 331 T HN 0.791 nan 8.240 nan 0.000 0.441 332 S N 2.175 117.855 115.700 -0.033 0.000 2.567 332 S HA 0.420 4.891 4.470 0.001 0.000 0.270 332 S C -1.100 173.485 174.600 -0.026 0.000 1.152 332 S CA -0.568 57.610 58.200 -0.036 0.000 0.835 332 S CB 1.643 64.808 63.200 -0.058 0.000 1.115 332 S HN 0.526 nan 8.310 nan 0.000 0.459 333 Q N 1.711 121.499 119.800 -0.020 0.000 2.139 333 Q HA 0.458 4.798 4.340 0.001 0.000 0.219 333 Q C -0.382 175.618 176.000 -0.001 0.000 0.805 333 Q CA -0.067 55.734 55.803 -0.003 0.000 1.024 333 Q CB 0.683 29.423 28.738 0.003 0.000 1.163 333 Q HN 0.421 nan 8.270 nan 0.000 0.485 334 N N -0.132 118.555 118.700 -0.023 0.000 2.639 334 N HA 0.113 4.854 4.740 0.001 0.000 0.265 334 N C -1.488 173.976 175.510 -0.076 0.000 1.689 334 N CA -0.052 52.981 53.050 -0.028 0.000 0.813 334 N CB 0.776 39.249 38.487 -0.023 0.000 1.353 334 N HN -0.151 nan 8.380 nan 0.000 0.510 335 V N 1.213 121.062 119.914 -0.108 0.000 2.655 335 V HA 0.296 4.417 4.120 0.001 0.000 0.300 335 V C 0.963 176.827 176.094 -0.383 0.000 1.044 335 V CA 0.152 62.292 62.300 -0.267 0.000 1.095 335 V CB 0.698 32.347 31.823 -0.291 0.000 0.952 335 V HN 0.591 nan 8.190 nan 0.000 0.485 336 T N 1.565 115.799 114.554 -0.534 0.000 2.907 336 T HA 0.776 5.126 4.350 0.001 0.000 0.292 336 T C -1.062 173.212 174.700 -0.709 0.000 1.043 336 T CA -0.597 61.239 62.100 -0.440 0.000 1.003 336 T CB 1.627 70.394 68.868 -0.168 0.000 1.084 336 T HN 0.200 nan 8.240 nan 0.000 0.483 337 F N 1.195 121.131 119.950 -0.025 0.000 2.500 337 F HA 0.504 5.031 4.527 0.001 0.000 0.349 337 F C 0.158 175.942 175.800 -0.028 0.000 1.127 337 F CA -0.930 57.049 58.000 -0.034 0.000 0.998 337 F CB 1.541 40.514 39.000 -0.046 0.000 1.237 337 F HN 0.585 nan 8.300 nan 0.000 0.439 338 D N 0.909 121.366 120.400 0.094 0.000 2.440 338 D HA 0.245 4.886 4.640 0.001 0.000 0.258 338 D C 0.583 176.912 176.300 0.048 0.000 1.092 338 D CA -0.139 53.894 54.000 0.055 0.000 1.016 338 D CB 1.126 41.935 40.800 0.015 0.000 1.141 338 D HN 0.516 nan 8.370 nan 0.000 0.552 339 N N -0.158 118.560 118.700 0.029 0.000 2.753 339 N HA -0.189 4.551 4.740 0.001 0.000 0.251 339 N C 0.784 176.306 175.510 0.020 0.000 1.097 339 N CA 0.905 53.966 53.050 0.019 0.000 0.786 339 N CB -1.166 37.327 38.487 0.009 0.000 1.137 339 N HN 0.147 nan 8.380 nan 0.000 0.566 340 V N 0.811 120.741 119.914 0.028 0.000 2.568 340 V HA -0.296 3.825 4.120 0.001 0.000 0.253 340 V C 2.546 178.645 176.094 0.009 0.000 1.072 340 V CA 2.248 64.557 62.300 0.015 0.000 1.084 340 V CB -0.487 31.345 31.823 0.014 0.000 0.676 340 V HN 0.664 nan 8.190 nan 0.000 0.469 341 Q N 0.249 120.058 119.800 0.014 0.000 2.364 341 Q HA -0.186 4.155 4.340 0.001 0.000 0.209 341 Q C 1.101 177.113 176.000 0.020 0.000 0.977 341 Q CA 1.518 57.330 55.803 0.015 0.000 0.885 341 Q CB -0.563 28.183 28.738 0.015 0.000 0.941 341 Q HN 0.657 nan 8.270 nan 0.000 0.464 342 N N -0.050 118.663 118.700 0.022 0.000 2.203 342 N HA 0.233 4.974 4.740 0.001 0.000 0.207 342 N C 0.454 175.987 175.510 0.037 0.000 1.130 342 N CA 0.674 53.746 53.050 0.036 0.000 0.861 342 N CB 1.088 39.599 38.487 0.040 0.000 1.005 342 N HN 0.373 nan 8.380 nan 0.000 0.507 343 A N 0.152 122.983 122.820 0.018 0.000 2.382 343 A HA 0.254 4.575 4.320 0.001 0.000 0.228 343 A C 0.712 178.306 177.584 0.016 0.000 1.217 343 A CA -0.011 52.032 52.037 0.010 0.000 0.923 343 A CB 0.371 19.359 19.000 -0.019 0.000 0.979 343 A HN 0.036 nan 8.150 nan 0.000 0.515 344 V N -4.510 115.415 119.914 0.017 0.000 3.040 344 V HA 1.016 5.137 4.120 0.001 0.000 0.312 344 V C 0.031 176.137 176.094 0.021 0.000 1.115 344 V CA -0.019 62.290 62.300 0.015 0.000 0.998 344 V CB 1.193 33.017 31.823 0.002 0.000 1.042 344 V HN 1.145 nan 8.190 nan 0.000 0.433 345 G N 0.474 109.285 108.800 0.018 0.000 2.399 345 G HA2 0.646 4.606 3.960 0.001 0.000 0.256 345 G HA3 0.646 4.606 3.960 0.001 0.000 0.256 345 G C -0.303 174.605 174.900 0.012 0.000 1.236 345 G CA -0.102 45.007 45.100 0.015 0.000 0.914 345 G HN 1.919 nan 8.290 nan 0.000 0.482 346 A N 0.383 123.208 122.820 0.009 0.000 2.524 346 A HA 0.471 4.792 4.320 0.001 0.000 0.250 346 A C 0.766 178.357 177.584 0.011 0.000 1.078 346 A CA 1.232 53.272 52.037 0.005 0.000 0.761 346 A CB -0.503 18.498 19.000 0.001 0.000 1.012 346 A HN 1.307 nan 8.150 nan 0.000 0.500 347 D N -0.969 119.437 120.400 0.010 0.000 2.811 347 D HA -0.188 4.453 4.640 0.001 0.000 0.231 347 D C -0.462 175.856 176.300 0.031 0.000 1.157 347 D CA 1.503 55.514 54.000 0.018 0.000 0.716 347 D CB -1.233 39.578 40.800 0.018 0.000 1.077 347 D HN 0.475 nan 8.370 nan 0.000 0.428 348 L N 0.283 121.524 121.223 0.030 0.000 2.516 348 L HA 0.348 4.688 4.340 0.001 0.000 0.267 348 L C -1.052 175.835 176.870 0.029 0.000 0.957 348 L CA -0.131 54.731 54.840 0.037 0.000 0.860 348 L CB 1.930 44.013 42.059 0.040 0.000 1.265 348 L HN -0.006 nan 8.230 nan 0.000 0.403 349 Q N 4.573 124.392 119.800 0.031 0.000 2.553 349 Q HA 0.785 5.125 4.340 0.001 0.000 0.293 349 Q C -1.258 174.746 176.000 0.006 0.000 1.038 349 Q CA -0.913 54.901 55.803 0.018 0.000 0.777 349 Q CB 3.221 31.976 28.738 0.028 0.000 1.487 349 Q HN 0.728 nan 8.270 nan 0.000 0.426 350 I N -2.801 117.756 120.570 -0.021 0.000 3.174 350 I HA 0.750 4.920 4.170 0.001 0.000 0.313 350 I C -1.329 174.742 176.117 -0.077 0.000 1.155 350 I CA -1.199 60.063 61.300 -0.063 0.000 0.977 350 I CB 2.276 40.210 38.000 -0.111 0.000 1.248 350 I HN 0.301 nan 8.210 nan 0.000 0.453 351 R N 3.538 123.956 120.500 -0.137 0.000 2.538 351 R HA 0.635 4.975 4.340 0.001 0.000 0.292 351 R C -1.680 174.371 176.300 -0.416 0.000 1.008 351 R CA -0.687 55.330 56.100 -0.137 0.000 0.896 351 R CB 1.981 32.319 30.300 0.064 0.000 1.187 351 R HN 0.708 nan 8.270 nan 0.000 0.440 352 L N 4.105 125.097 121.223 -0.386 0.000 2.319 352 L HA 0.399 4.740 4.340 0.001 0.000 0.281 352 L C 0.600 177.321 176.870 -0.249 0.000 1.005 352 L CA -0.564 53.927 54.840 -0.583 0.000 0.828 352 L CB 0.917 42.563 42.059 -0.689 0.000 1.227 352 L HN 0.461 nan 8.230 nan 0.000 0.415 353 F N 1.589 121.432 119.950 -0.179 0.000 2.451 353 F HA 0.026 4.553 4.527 0.001 0.000 0.299 353 F C 1.977 177.655 175.800 -0.203 0.000 1.101 353 F CA 0.559 58.465 58.000 -0.155 0.000 1.436 353 F CB -0.725 38.214 39.000 -0.101 0.000 1.074 353 F HN 0.786 nan 8.300 nan 0.000 0.553 354 G N 0.160 108.975 108.800 0.025 0.000 2.143 354 G HA2 -0.330 3.631 3.960 0.001 0.000 0.249 354 G HA3 -0.330 3.631 3.960 0.001 0.000 0.249 354 G C 0.395 175.327 174.900 0.053 0.000 0.981 354 G CA -0.140 44.945 45.100 -0.025 0.000 0.665 354 G HN 0.363 nan 8.290 nan 0.000 0.528 355 K N 0.804 121.288 120.400 0.139 0.000 2.472 355 K HA 0.211 4.531 4.320 0.001 0.000 0.280 355 K C -0.718 175.997 176.600 0.191 0.000 1.028 355 K CA -0.505 55.895 56.287 0.188 0.000 1.045 355 K CB 1.157 33.768 32.500 0.185 0.000 0.902 355 K HN 0.125 nan 8.250 nan 0.000 0.478 356 P HA -0.180 nan 4.420 nan 0.000 0.222 356 P C -0.415 176.943 177.300 0.095 0.000 1.147 356 P CA 1.345 64.550 63.100 0.174 0.000 0.790 356 P CB 0.210 32.035 31.700 0.209 0.000 0.780 357 E N -1.772 118.462 120.200 0.058 0.000 2.439 357 E HA 0.577 4.927 4.350 0.001 0.000 0.279 357 E C -1.694 174.898 176.600 -0.013 0.000 1.077 357 E CA -1.089 55.318 56.400 0.012 0.000 0.849 357 E CB 1.036 30.735 29.700 -0.002 0.000 1.408 357 E HN -0.054 nan 8.360 nan 0.000 0.457 358 I N 0.593 121.150 120.570 -0.021 0.000 2.827 358 I HA 0.436 4.607 4.170 0.001 0.000 0.298 358 I C -2.056 174.044 176.117 -0.029 0.000 1.235 358 I CA -0.489 60.796 61.300 -0.025 0.000 1.021 358 I CB 2.310 40.303 38.000 -0.011 0.000 1.259 358 I HN 0.678 nan 8.210 nan 0.000 0.427 359 D N 5.252 125.635 120.400 -0.029 0.000 2.586 359 D HA 0.575 5.216 4.640 0.001 0.000 0.254 359 D C -0.113 176.177 176.300 -0.018 0.000 1.248 359 D CA 0.968 54.953 54.000 -0.025 0.000 0.843 359 D CB 0.820 41.603 40.800 -0.029 0.000 1.332 359 D HN 1.060 nan 8.370 nan 0.000 0.523 360 G N 0.935 109.727 108.800 -0.014 0.000 2.460 360 G HA2 -0.100 3.860 3.960 0.001 0.000 0.207 360 G HA3 -0.100 3.860 3.960 0.001 0.000 0.207 360 G C -0.658 174.239 174.900 -0.004 0.000 1.170 360 G CA -0.353 44.743 45.100 -0.007 0.000 1.151 360 G HN 0.358 nan 8.290 nan 0.000 0.575 361 S N 0.571 116.273 115.700 0.003 0.000 2.489 361 S HA 0.724 5.195 4.470 0.001 0.000 0.277 361 S C 0.223 174.830 174.600 0.012 0.000 1.230 361 S CA 0.056 58.261 58.200 0.008 0.000 1.053 361 S CB 1.315 64.523 63.200 0.013 0.000 0.955 361 S HN 0.747 nan 8.310 nan 0.000 0.488 362 R N 1.597 122.109 120.500 0.021 0.000 2.561 362 R HA 0.264 4.604 4.340 0.001 0.000 0.266 362 R C -1.114 175.222 176.300 0.060 0.000 1.091 362 R CA -0.642 55.479 56.100 0.035 0.000 0.927 362 R CB 1.123 31.440 30.300 0.028 0.000 1.240 362 R HN 0.550 nan 8.270 nan 0.000 0.449 363 R N 5.086 125.640 120.500 0.090 0.000 2.357 363 R HA 0.137 4.477 4.340 0.001 0.000 0.330 363 R C 0.073 176.496 176.300 0.205 0.000 1.102 363 R CA 0.156 56.335 56.100 0.132 0.000 0.974 363 R CB 0.241 30.649 30.300 0.181 0.000 1.002 363 R HN 0.647 nan 8.270 nan 0.000 0.463 364 L N 3.004 124.275 121.223 0.080 0.000 2.585 364 L HA 0.307 4.647 4.340 0.001 0.000 0.226 364 L C 1.072 177.649 176.870 -0.488 0.000 1.113 364 L CA 0.188 55.051 54.840 0.038 0.000 0.876 364 L CB 0.445 42.608 42.059 0.173 0.000 1.072 364 L HN 0.788 nan 8.230 nan 0.000 0.468 365 G N -0.884 107.443 108.800 -0.788 0.000 2.428 365 G HA2 0.443 4.403 3.960 0.001 0.000 0.304 365 G HA3 0.443 4.403 3.960 0.001 0.000 0.304 365 G C -2.080 172.387 174.900 -0.722 0.000 1.303 365 G CA -0.289 43.958 45.100 -1.422 0.000 0.825 365 G HN -0.300 nan 8.290 nan 0.000 0.484 366 V N -0.709 118.924 119.914 -0.468 0.000 2.969 366 V HA 0.780 4.901 4.120 0.001 0.000 0.304 366 V C -0.583 175.471 176.094 -0.066 0.000 1.192 366 V CA 0.092 62.327 62.300 -0.109 0.000 0.962 366 V CB 1.735 33.643 31.823 0.141 0.000 1.045 366 V HN 2.077 nan 8.190 nan 0.000 0.428 367 A N 6.408 129.222 122.820 -0.011 0.000 2.312 367 A HA 0.957 5.278 4.320 0.001 0.000 0.326 367 A C -1.176 176.449 177.584 0.068 0.000 1.172 367 A CA -0.527 51.516 52.037 0.010 0.000 0.821 367 A CB 0.962 19.965 19.000 0.005 0.000 1.166 367 A HN 0.871 nan 8.150 nan 0.000 0.493 368 L N 1.043 122.308 121.223 0.070 0.000 2.401 368 L HA 0.855 5.196 4.340 0.001 0.000 0.266 368 L C 0.059 176.981 176.870 0.087 0.000 0.991 368 L CA -0.486 54.414 54.840 0.099 0.000 0.818 368 L CB 2.240 44.362 42.059 0.106 0.000 1.321 368 L HN 0.872 nan 8.230 nan 0.000 0.413 369 A N 0.773 123.653 122.820 0.100 0.000 2.594 369 A HA 0.886 5.206 4.320 0.001 0.000 0.295 369 A C -0.689 176.949 177.584 0.091 0.000 1.071 369 A CA -0.465 51.623 52.037 0.085 0.000 0.685 369 A CB 2.059 21.106 19.000 0.080 0.000 1.285 369 A HN 0.656 nan 8.150 nan 0.000 0.405 370 T N -1.279 113.318 114.554 0.072 0.000 2.924 370 T HA 0.988 5.339 4.350 0.001 0.000 0.291 370 T C -0.118 174.613 174.700 0.052 0.000 1.045 370 T CA -0.023 62.121 62.100 0.073 0.000 1.015 370 T CB 1.747 70.657 68.868 0.071 0.000 1.103 370 T HN 2.463 nan 8.240 nan 0.000 0.496 371 A N 0.534 123.383 122.820 0.049 0.000 2.467 371 A HA 0.664 4.985 4.320 0.001 0.000 0.301 371 A C 0.190 177.791 177.584 0.028 0.000 1.126 371 A CA -0.646 51.409 52.037 0.030 0.000 0.632 371 A CB 0.296 19.309 19.000 0.022 0.000 1.331 371 A HN 0.661 nan 8.150 nan 0.000 0.482 372 E N 0.215 120.424 120.200 0.014 0.000 2.481 372 E HA 0.106 4.456 4.350 0.001 0.000 0.195 372 E C 0.372 176.977 176.600 0.009 0.000 1.047 372 E CA 1.236 57.644 56.400 0.013 0.000 0.867 372 E CB 0.205 29.908 29.700 0.005 0.000 0.858 372 E HN 0.722 nan 8.360 nan 0.000 0.513 373 S N -1.333 114.369 115.700 0.003 0.000 2.550 373 S HA 0.235 4.706 4.470 0.001 0.000 0.270 373 S C 1.005 175.596 174.600 -0.015 0.000 1.145 373 S CA -0.322 57.872 58.200 -0.011 0.000 0.852 373 S CB 1.631 64.812 63.200 -0.032 0.000 1.119 373 S HN -0.125 nan 8.310 nan 0.000 0.465 374 V N 0.378 120.273 119.914 -0.032 0.000 2.407 374 V HA -0.080 4.040 4.120 0.001 0.000 0.248 374 V C 1.984 177.999 176.094 -0.131 0.000 1.055 374 V CA 1.715 63.984 62.300 -0.051 0.000 1.049 374 V CB -1.626 30.150 31.823 -0.079 0.000 0.662 374 V HN 0.725 nan 8.190 nan 0.000 0.455 375 V N 1.296 121.112 119.914 -0.162 0.000 2.282 375 V HA -0.281 3.839 4.120 0.001 0.000 0.249 375 V C 2.611 178.650 176.094 -0.092 0.000 1.057 375 V CA 2.658 64.861 62.300 -0.162 0.000 1.032 375 V CB -0.999 30.744 31.823 -0.133 0.000 0.645 375 V HN 0.542 nan 8.190 nan 0.000 0.447 376 D N 0.265 120.632 120.400 -0.055 0.000 2.117 376 D HA -0.099 4.541 4.640 0.001 0.000 0.198 376 D C 2.248 178.546 176.300 -0.003 0.000 0.982 376 D CA 1.632 55.615 54.000 -0.028 0.000 0.828 376 D CB -0.426 40.362 40.800 -0.020 0.000 0.967 376 D HN 0.444 nan 8.370 nan 0.000 0.464 377 A N 0.965 123.793 122.820 0.013 0.000 1.883 377 A HA -0.168 4.152 4.320 0.001 0.000 0.217 377 A C 2.398 180.025 177.584 0.071 0.000 1.186 377 A CA 1.048 53.117 52.037 0.054 0.000 0.624 377 A CB -0.819 18.231 19.000 0.083 0.000 0.822 377 A HN 0.193 nan 8.150 nan 0.000 0.444 378 I N -0.623 119.977 120.570 0.051 0.000 2.163 378 I HA -0.282 3.888 4.170 0.001 0.000 0.243 378 I C 2.586 178.739 176.117 0.060 0.000 1.085 378 I CA 1.962 63.304 61.300 0.070 0.000 1.347 378 I CB -0.316 37.669 38.000 -0.024 0.000 1.044 378 I HN 0.493 nan 8.210 nan 0.000 0.408 379 E N 1.392 121.606 120.200 0.025 0.000 2.077 379 E HA -0.266 4.084 4.350 0.001 0.000 0.193 379 E C 2.219 178.864 176.600 0.075 0.000 0.989 379 E CA 1.435 57.858 56.400 0.038 0.000 0.800 379 E CB -0.182 29.520 29.700 0.003 0.000 0.746 379 E HN 0.276 nan 8.360 nan 0.000 0.452 380 R N -0.108 120.427 120.500 0.058 0.000 2.073 380 R HA -0.086 4.255 4.340 0.001 0.000 0.234 380 R C 2.215 178.584 176.300 0.114 0.000 1.134 380 R CA 1.616 57.761 56.100 0.075 0.000 0.952 380 R CB -0.517 29.811 30.300 0.045 0.000 0.850 380 R HN 0.237 nan 8.270 nan 0.000 0.433 381 A N 1.195 124.076 122.820 0.102 0.000 1.877 381 A HA -0.156 4.164 4.320 0.001 0.000 0.216 381 A C 1.973 179.613 177.584 0.094 0.000 1.186 381 A CA 1.709 53.807 52.037 0.103 0.000 0.620 381 A CB -0.356 18.717 19.000 0.122 0.000 0.822 381 A HN 0.413 nan 8.150 nan 0.000 0.443 382 K N -1.140 119.321 120.400 0.100 0.000 2.057 382 K HA -0.181 4.140 4.320 0.001 0.000 0.207 382 K C 2.157 178.794 176.600 0.062 0.000 1.049 382 K CA 1.320 57.653 56.287 0.076 0.000 0.931 382 K CB -0.444 32.102 32.500 0.076 0.000 0.714 382 K HN 0.690 nan 8.250 nan 0.000 0.440 383 H N 0.972 120.053 119.070 0.018 0.000 2.290 383 H HA -0.117 4.439 4.556 0.001 0.000 0.298 383 H C 1.985 177.319 175.328 0.010 0.000 1.087 383 H CA 1.949 58.004 56.048 0.012 0.000 1.291 383 H CB 0.057 29.825 29.762 0.009 0.000 1.369 383 H HN 0.222 nan 8.280 nan 0.000 0.492 384 A N 1.290 124.132 122.820 0.036 0.000 1.883 384 A HA -0.154 4.166 4.320 0.001 0.000 0.217 384 A C 2.756 180.298 177.584 -0.070 0.000 1.186 384 A CA 2.191 54.222 52.037 -0.009 0.000 0.624 384 A CB -1.234 17.798 19.000 0.053 0.000 0.822 384 A HN 0.601 nan 8.150 nan 0.000 0.444 385 A N -0.605 122.187 122.820 -0.046 0.000 1.908 385 A HA 0.051 4.371 4.320 0.001 0.000 0.218 385 A C 2.423 179.964 177.584 -0.073 0.000 1.181 385 A CA 2.099 54.104 52.037 -0.054 0.000 0.627 385 A CB -1.435 17.544 19.000 -0.035 0.000 0.818 385 A HN 0.831 nan 8.150 nan 0.000 0.445 386 G N -1.612 107.123 108.800 -0.108 0.000 2.422 386 G HA2 -0.164 3.797 3.960 0.001 0.000 0.218 386 G HA3 -0.164 3.797 3.960 0.001 0.000 0.218 386 G C 1.514 176.323 174.900 -0.151 0.000 1.140 386 G CA 0.853 45.878 45.100 -0.125 0.000 0.775 386 G HN 0.447 nan 8.290 nan 0.000 0.545 387 Q N 0.120 119.796 119.800 -0.208 0.000 2.224 387 Q HA 0.025 4.366 4.340 0.001 0.000 0.203 387 Q C 1.344 177.306 176.000 -0.064 0.000 0.970 387 Q CA 0.118 55.827 55.803 -0.158 0.000 0.865 387 Q CB -0.491 28.151 28.738 -0.160 0.000 0.922 387 Q HN 0.322 nan 8.270 nan 0.000 0.445 388 V N 2.678 122.568 119.914 -0.040 0.000 2.557 388 V HA -0.067 4.054 4.120 0.001 0.000 0.301 388 V C 0.722 176.833 176.094 0.029 0.000 1.026 388 V CA 0.378 62.690 62.300 0.019 0.000 1.137 388 V CB 0.173 32.024 31.823 0.046 0.000 0.917 388 V HN 0.064 nan 8.190 nan 0.000 0.484 389 K N 4.868 125.290 120.400 0.037 0.000 2.257 389 K HA 0.383 4.704 4.320 0.001 0.000 0.270 389 K C -0.897 175.695 176.600 -0.014 0.000 1.098 389 K CA -0.451 55.839 56.287 0.006 0.000 0.943 389 K CB 0.925 33.422 32.500 -0.005 0.000 1.316 389 K HN 0.573 nan 8.250 nan 0.000 0.447 390 V N 5.117 125.009 119.914 -0.037 0.000 2.432 390 V HA 0.161 4.282 4.120 0.001 0.000 0.271 390 V C -0.009 175.984 176.094 -0.167 0.000 1.046 390 V CA -0.286 61.925 62.300 -0.148 0.000 0.945 390 V CB 0.963 32.730 31.823 -0.094 0.000 0.992 390 V HN 0.771 nan 8.190 nan 0.000 0.471 391 Q N 2.399 122.058 119.800 -0.235 0.000 2.528 391 Q HA 0.879 5.220 4.340 0.001 0.000 0.289 391 Q C 0.009 175.896 176.000 -0.189 0.000 1.091 391 Q CA -0.623 55.081 55.803 -0.164 0.000 0.797 391 Q CB 2.861 31.528 28.738 -0.117 0.000 1.466 391 Q HN 0.912 nan 8.270 nan 0.000 0.436 392 G N 0.000 108.724 108.800 -0.127 0.000 5.446 392 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 392 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 392 G CA 0.000 45.030 45.100 -0.116 0.000 0.502 392 G HN 0.000 nan 8.290 nan 0.000 0.925