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 2qd4_1_A DATA FIRST_RESID 65 DATA SEQUENCE RKPKTGILML NMGGPETLGD VHDFLLRLFL DRDLMTLPIQ NKLAPFIAKR DATA SEQUENCE RTPKIQEQYR RIGGGSPIKI WTSKQGEGMV KLLDELSPNT APHKYYIGFR DATA SEQUENCE YVHPLTEEAI EEMERDGLER AIAFTQYPQY SCSTTGSSLN AIYRYYNQVG DATA SEQUENCE RKPTMKWSTI DRWPTHHLLI QCFADHILKE LDHFPLEKRS EVVILFSAHS DATA SEQUENCE LPMSVVNRGD PYPQEVSATV QKVMERLEYC NPYRLVWQSK VGPMPWLGPQ DATA SEQUENCE TDESIKGLCE RGRKNILLVP IAFTSDHIET LYELDIEYSQ VLAKECGVEN DATA SEQUENCE IRRAESLNGN PLFSKALADL VHSHIQSNEL CSKQLTLSCP LCVNPVCRET DATA SEQUENCE KSFFTSQQL 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 65 R HA 0.000 nan 4.340 nan 0.000 0.208 65 R C 0.000 176.287 176.300 -0.021 0.000 0.893 65 R CA 0.000 56.090 56.100 -0.018 0.000 0.921 65 R CB 0.000 30.289 30.300 -0.019 0.000 0.687 66 K N 2.094 122.482 120.400 -0.019 0.000 2.469 66 K HA 0.180 4.500 4.320 -0.000 0.000 0.274 66 K C -1.924 174.661 176.600 -0.025 0.000 0.983 66 K CA -0.959 55.317 56.287 -0.018 0.000 0.974 66 K CB 0.244 32.737 32.500 -0.012 0.000 0.913 66 K HN 0.412 nan 8.250 nan 0.000 0.493 67 P HA -0.015 nan 4.420 nan 0.000 0.271 67 P C -0.650 176.629 177.300 -0.037 0.000 1.216 67 P CA -0.108 62.976 63.100 -0.026 0.000 0.776 67 P CB 1.446 33.147 31.700 0.002 0.000 0.881 68 K N 1.462 121.813 120.400 -0.082 0.000 2.262 68 K HA 0.096 4.416 4.320 -0.000 0.000 0.200 68 K C 0.051 176.589 176.600 -0.104 0.000 1.058 68 K CA 0.680 56.909 56.287 -0.097 0.000 0.974 68 K CB 0.382 32.805 32.500 -0.129 0.000 0.910 68 K HN 0.383 nan 8.250 nan 0.000 0.484 69 T N 0.641 115.111 114.554 -0.140 0.000 2.786 69 T HA 0.463 4.813 4.350 -0.000 0.000 0.283 69 T C -0.525 174.202 174.700 0.044 0.000 0.992 69 T CA -0.795 61.256 62.100 -0.082 0.000 0.954 69 T CB 1.624 70.414 68.868 -0.130 0.000 0.934 69 T HN 0.280 nan 8.240 nan 0.000 0.440 70 G N 2.291 111.129 108.800 0.063 0.000 2.368 70 G HA2 0.606 4.566 3.960 -0.000 0.000 0.320 70 G HA3 0.606 4.566 3.960 -0.000 0.000 0.320 70 G C -0.703 174.307 174.900 0.183 0.000 1.158 70 G CA -0.566 44.671 45.100 0.227 0.000 0.912 70 G HN 0.619 nan 8.290 nan 0.000 0.456 71 I N 2.618 123.370 120.570 0.304 0.000 2.330 71 I HA 0.182 4.352 4.170 -0.000 0.000 0.286 71 I C -0.167 176.155 176.117 0.342 0.000 1.025 71 I CA -0.667 60.800 61.300 0.277 0.000 1.197 71 I CB 1.629 39.791 38.000 0.271 0.000 1.358 71 I HN 0.267 nan 8.210 nan 0.000 0.467 72 L N 7.895 129.293 121.223 0.292 0.000 2.342 72 L HA 0.404 4.744 4.340 -0.000 0.000 0.285 72 L C -0.135 176.893 176.870 0.263 0.000 1.095 72 L CA 0.195 55.208 54.840 0.289 0.000 0.843 72 L CB 0.054 42.297 42.059 0.306 0.000 1.201 72 L HN 0.486 nan 8.230 nan 0.000 0.445 73 M N 6.840 126.553 119.600 0.187 0.000 2.193 73 M HA 0.280 4.760 4.480 -0.000 0.000 0.342 73 M C -0.771 175.562 176.300 0.054 0.000 1.413 73 M CA 0.091 55.426 55.300 0.057 0.000 1.191 73 M CB 0.269 32.853 32.600 -0.025 0.000 1.633 73 M HN 0.434 nan 8.290 nan 0.000 0.458 74 L N 3.934 125.217 121.223 0.100 0.000 2.289 74 L HA 0.555 4.895 4.340 -0.000 0.000 0.285 74 L C 0.120 177.104 176.870 0.189 0.000 1.049 74 L CA -0.447 54.487 54.840 0.156 0.000 0.804 74 L CB 0.857 43.038 42.059 0.203 0.000 1.195 74 L HN 0.672 nan 8.230 nan 0.000 0.428 75 N N 1.677 120.557 118.700 0.301 0.000 2.823 75 N HA 0.336 5.076 4.740 -0.000 0.000 0.251 75 N C 0.144 175.945 175.510 0.484 0.000 1.392 75 N CA -0.581 52.698 53.050 0.381 0.000 0.864 75 N CB 1.789 40.473 38.487 0.329 0.000 1.481 75 N HN 0.394 nan 8.380 nan 0.000 0.508 76 M N 0.594 120.511 119.600 0.530 0.000 2.254 76 M HA 0.190 4.670 4.480 -0.000 0.000 0.265 76 M C 1.117 177.584 176.300 0.278 0.000 1.066 76 M CA 1.124 56.651 55.300 0.378 0.000 1.123 76 M CB -1.611 31.279 32.600 0.484 0.000 1.388 76 M HN 0.800 nan 8.290 nan 0.000 0.425 77 G N -0.467 108.393 108.800 0.100 0.000 2.795 77 G HA2 0.103 4.063 3.960 -0.000 0.000 0.664 77 G HA3 0.103 4.063 3.960 -0.000 0.000 0.664 77 G C -0.246 174.460 174.900 -0.323 0.000 1.381 77 G CA -0.550 44.234 45.100 -0.525 0.000 0.853 77 G HN 0.801 nan 8.290 nan 0.000 0.545 78 G N -0.431 108.009 108.800 -0.600 0.000 2.718 78 G HA2 0.877 4.837 3.960 -0.000 0.000 0.295 78 G HA3 0.877 4.837 3.960 -0.000 0.000 0.295 78 G C -2.947 171.475 174.900 -0.795 0.000 1.421 78 G CA -0.226 44.426 45.100 -0.748 0.000 0.902 78 G HN 0.802 nan 8.290 nan 0.000 0.501 79 P HA 0.118 nan 4.420 nan 0.000 0.267 79 P C 0.310 177.286 177.300 -0.540 0.000 1.209 79 P CA 0.276 62.967 63.100 -0.682 0.000 0.763 79 P CB 1.887 33.165 31.700 -0.702 0.000 0.816 80 E N 1.152 121.174 120.200 -0.296 0.000 2.152 80 E HA -0.054 4.296 4.350 -0.000 0.000 0.192 80 E C 0.876 177.373 176.600 -0.171 0.000 0.983 80 E CA 1.145 57.432 56.400 -0.188 0.000 0.818 80 E CB 0.128 29.781 29.700 -0.080 0.000 0.758 80 E HN 0.650 nan 8.360 nan 0.000 0.467 81 T N -3.649 110.803 114.554 -0.171 0.000 2.865 81 T HA 0.330 4.680 4.350 -0.000 0.000 0.294 81 T C 0.936 175.551 174.700 -0.143 0.000 1.119 81 T CA -0.813 61.214 62.100 -0.121 0.000 1.007 81 T CB 1.016 69.847 68.868 -0.063 0.000 1.225 81 T HN -0.102 nan 8.240 nan 0.000 0.515 82 L N 0.586 121.759 121.223 -0.083 0.000 2.131 82 L HA 0.079 4.419 4.340 -0.000 0.000 0.210 82 L C 2.858 179.709 176.870 -0.033 0.000 1.092 82 L CA 1.712 56.520 54.840 -0.054 0.000 0.759 82 L CB -0.980 41.073 42.059 -0.009 0.000 0.903 82 L HN 1.008 nan 8.230 nan 0.000 0.435 83 G N -0.633 108.152 108.800 -0.026 0.000 2.471 83 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 83 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 83 G C 1.090 175.999 174.900 0.015 0.000 1.125 83 G CA 0.468 45.567 45.100 -0.001 0.000 0.775 83 G HN 0.349 nan 8.290 nan 0.000 0.548 84 D N 0.190 120.579 120.400 -0.018 0.000 2.355 84 D HA 0.022 4.662 4.640 -0.000 0.000 0.218 84 D C 2.540 178.850 176.300 0.017 0.000 1.004 84 D CA 0.015 54.016 54.000 0.001 0.000 0.880 84 D CB 0.465 41.233 40.800 -0.053 0.000 0.911 84 D HN 0.184 nan 8.370 nan 0.000 0.528 85 V N 1.535 121.447 119.914 -0.003 0.000 2.231 85 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 85 V C 2.514 178.688 176.094 0.133 0.000 1.054 85 V CA 1.770 64.107 62.300 0.061 0.000 1.015 85 V CB -0.706 31.154 31.823 0.061 0.000 0.638 85 V HN 0.401 nan 8.190 nan 0.000 0.444 86 H N 0.422 119.513 119.070 0.034 0.000 2.289 86 H HA -0.223 4.333 4.556 -0.000 0.000 0.296 86 H C 2.086 177.410 175.328 -0.007 0.000 1.091 86 H CA 2.430 58.486 56.048 0.012 0.000 1.274 86 H CB -0.253 29.518 29.762 0.015 0.000 1.364 86 H HN 0.425 nan 8.280 nan 0.000 0.490 87 D N -0.086 120.408 120.400 0.156 0.000 2.219 87 D HA -0.116 4.524 4.640 -0.000 0.000 0.205 87 D C 2.077 178.364 176.300 -0.021 0.000 0.970 87 D CA 0.570 54.618 54.000 0.079 0.000 0.851 87 D CB -0.708 40.192 40.800 0.166 0.000 0.943 87 D HN 0.344 nan 8.370 nan 0.000 0.488 88 F N 1.477 121.339 119.950 -0.146 0.000 2.075 88 F HA -0.132 4.395 4.527 -0.000 0.000 0.297 88 F C 1.945 177.537 175.800 -0.346 0.000 1.113 88 F CA 1.268 59.163 58.000 -0.175 0.000 1.218 88 F CB -0.546 38.361 39.000 -0.156 0.000 0.984 88 F HN -0.113 nan 8.300 nan 0.000 0.472 89 L N -0.316 120.535 121.223 -0.620 0.000 2.083 89 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 89 L C 2.479 178.631 176.870 -1.196 0.000 1.083 89 L CA 0.993 55.151 54.840 -1.136 0.000 0.752 89 L CB -0.951 40.641 42.059 -0.778 0.000 0.899 89 L HN 0.308 nan 8.230 nan 0.000 0.433 90 L N 0.229 121.043 121.223 -0.682 0.000 2.012 90 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 90 L C 2.755 179.440 176.870 -0.310 0.000 1.073 90 L CA 1.758 56.348 54.840 -0.416 0.000 0.748 90 L CB -0.550 41.338 42.059 -0.284 0.000 0.891 90 L HN 0.102 nan 8.230 nan 0.000 0.431 91 R N -0.841 119.494 120.500 -0.274 0.000 2.096 91 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 91 R C 2.307 178.447 176.300 -0.267 0.000 1.127 91 R CA 1.557 57.587 56.100 -0.117 0.000 0.968 91 R CB -0.576 29.766 30.300 0.071 0.000 0.861 91 R HN 0.394 nan 8.270 nan 0.000 0.440 92 L N -0.196 120.577 121.223 -0.750 0.000 1.976 92 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 92 L C 2.196 178.831 176.870 -0.391 0.000 1.071 92 L CA 1.620 55.846 54.840 -1.022 0.000 0.746 92 L CB -0.384 40.883 42.059 -1.321 0.000 0.890 92 L HN 0.155 nan 8.230 nan 0.000 0.432 93 F N -0.810 118.953 119.950 -0.312 0.000 2.451 93 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 93 F C 2.032 177.767 175.800 -0.110 0.000 1.101 93 F CA 0.116 58.005 58.000 -0.185 0.000 1.436 93 F CB -0.086 38.817 39.000 -0.162 0.000 1.074 93 F HN 0.101 nan 8.300 nan 0.000 0.553 94 L N -0.793 120.462 121.223 0.054 0.000 2.529 94 L HA 0.014 4.354 4.340 -0.000 0.000 0.223 94 L C 0.484 177.385 176.870 0.053 0.000 1.113 94 L CA 0.013 54.884 54.840 0.052 0.000 0.861 94 L CB -0.220 41.861 42.059 0.037 0.000 1.012 94 L HN -0.108 nan 8.230 nan 0.000 0.461 95 D N 0.918 121.349 120.400 0.052 0.000 2.348 95 D HA -0.017 4.623 4.640 -0.000 0.000 0.259 95 D C 1.220 177.556 176.300 0.060 0.000 1.296 95 D CA 0.064 54.116 54.000 0.086 0.000 0.931 95 D CB 0.772 41.666 40.800 0.157 0.000 1.067 95 D HN -0.056 nan 8.370 nan 0.000 0.503 96 R N 3.005 123.536 120.500 0.052 0.000 2.120 96 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 96 R C 1.001 177.320 176.300 0.031 0.000 1.123 96 R CA 0.824 56.946 56.100 0.036 0.000 0.975 96 R CB -0.219 30.101 30.300 0.034 0.000 0.866 96 R HN 0.534 nan 8.270 nan 0.000 0.446 97 D N 0.848 121.273 120.400 0.041 0.000 2.104 97 D HA -0.158 4.482 4.640 -0.000 0.000 0.194 97 D C 1.962 178.271 176.300 0.015 0.000 0.994 97 D CA 0.866 54.885 54.000 0.030 0.000 0.830 97 D CB -0.261 40.563 40.800 0.041 0.000 0.959 97 D HN 0.068 nan 8.370 nan 0.000 0.452 98 L N -0.822 120.417 121.223 0.028 0.000 2.056 98 L HA 0.048 4.388 4.340 -0.000 0.000 0.207 98 L C 0.635 177.500 176.870 -0.008 0.000 1.078 98 L CA 1.361 56.205 54.840 0.007 0.000 0.749 98 L CB 0.032 42.105 42.059 0.024 0.000 0.901 98 L HN -0.076 nan 8.230 nan 0.000 0.433 99 M N -1.466 118.137 119.600 0.005 0.000 2.550 99 M HA 0.345 4.825 4.480 -0.000 0.000 0.292 99 M C -0.839 175.460 176.300 -0.001 0.000 1.221 99 M CA -0.363 54.935 55.300 -0.004 0.000 0.873 99 M CB 2.313 34.915 32.600 0.003 0.000 1.727 99 M HN -0.301 nan 8.290 nan 0.000 0.459 100 T N 3.491 118.038 114.554 -0.011 0.000 2.864 100 T HA 0.702 5.052 4.350 -0.000 0.000 0.310 100 T C -0.838 173.853 174.700 -0.014 0.000 1.040 100 T CA -0.515 61.580 62.100 -0.008 0.000 0.977 100 T CB 0.433 69.295 68.868 -0.010 0.000 0.976 100 T HN 0.413 nan 8.240 nan 0.000 0.459 101 L N 4.973 126.190 121.223 -0.010 0.000 2.354 101 L HA 0.611 4.951 4.340 -0.000 0.000 0.269 101 L C -2.130 174.736 176.870 -0.006 0.000 1.005 101 L CA -2.699 52.131 54.840 -0.016 0.000 0.819 101 L CB 2.172 44.216 42.059 -0.026 0.000 1.311 101 L HN 0.331 nan 8.230 nan 0.000 0.423 102 P HA 0.104 nan 4.420 nan 0.000 0.271 102 P C 0.513 177.812 177.300 -0.001 0.000 1.218 102 P CA -0.120 62.977 63.100 -0.005 0.000 0.780 102 P CB 0.731 32.426 31.700 -0.009 0.000 0.901 103 I N -2.172 118.399 120.570 0.001 0.000 5.200 103 I HA -0.356 3.814 4.170 -0.000 0.000 0.126 103 I C 1.235 177.362 176.117 0.016 0.000 1.374 103 I CA 0.778 62.082 61.300 0.005 0.000 2.633 103 I CB -1.942 36.057 38.000 -0.002 0.000 2.409 103 I HN 0.425 nan 8.210 nan 0.000 0.319 104 Q N 1.838 121.649 119.800 0.018 0.000 2.197 104 Q HA -0.273 4.067 4.340 -0.000 0.000 0.211 104 Q C 1.617 177.644 176.000 0.045 0.000 0.993 104 Q CA 2.771 58.591 55.803 0.028 0.000 0.883 104 Q CB -0.022 28.732 28.738 0.026 0.000 0.916 104 Q HN 0.837 nan 8.270 nan 0.000 0.418 105 N N -0.353 118.370 118.700 0.040 0.000 2.443 105 N HA -0.096 4.644 4.740 -0.000 0.000 0.184 105 N C 0.793 176.337 175.510 0.057 0.000 1.037 105 N CA 1.038 54.116 53.050 0.047 0.000 0.896 105 N CB 0.177 38.686 38.487 0.036 0.000 0.959 105 N HN 0.239 nan 8.380 nan 0.000 0.442 106 K N -0.871 119.561 120.400 0.053 0.000 2.350 106 K HA 0.246 4.566 4.320 -0.000 0.000 0.196 106 K C 1.504 178.163 176.600 0.097 0.000 1.084 106 K CA 0.028 56.351 56.287 0.059 0.000 0.967 106 K CB 0.373 32.886 32.500 0.023 0.000 0.950 106 K HN 0.043 nan 8.250 nan 0.000 0.512 107 L N 0.999 122.276 121.223 0.090 0.000 2.044 107 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 107 L C 2.583 179.554 176.870 0.169 0.000 1.075 107 L CA 1.085 56.011 54.840 0.143 0.000 0.747 107 L CB -0.549 41.554 42.059 0.073 0.000 0.903 107 L HN 0.164 nan 8.230 nan 0.000 0.435 108 A N 0.881 123.773 122.820 0.119 0.000 1.869 108 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 108 A C -0.062 177.640 177.584 0.197 0.000 1.203 108 A CA 2.186 54.324 52.037 0.169 0.000 0.638 108 A CB -2.007 17.086 19.000 0.155 0.000 0.831 108 A HN 0.276 nan 8.150 nan 0.000 0.450 109 P HA -0.152 nan 4.420 nan 0.000 0.216 109 P C 1.426 178.857 177.300 0.219 0.000 1.150 109 P CA 1.199 64.402 63.100 0.171 0.000 0.837 109 P CB -0.122 31.682 31.700 0.173 0.000 0.786 110 F N 0.346 120.347 119.950 0.083 0.000 2.084 110 F HA -0.107 4.420 4.527 -0.000 0.000 0.296 110 F C 1.993 177.832 175.800 0.065 0.000 1.111 110 F CA 1.352 59.392 58.000 0.067 0.000 1.224 110 F CB -0.971 38.047 39.000 0.030 0.000 0.991 110 F HN -0.260 nan 8.300 nan 0.000 0.471 111 I N 0.585 121.033 120.570 -0.203 0.000 2.264 111 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 111 I C 2.670 178.750 176.117 -0.061 0.000 1.111 111 I CA 1.111 62.200 61.300 -0.352 0.000 1.382 111 I CB -1.126 36.611 38.000 -0.438 0.000 1.060 111 I HN 0.279 nan 8.210 nan 0.000 0.418 112 A N 1.083 124.003 122.820 0.167 0.000 1.858 112 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 112 A C 2.429 180.007 177.584 -0.009 0.000 1.190 112 A CA 2.063 54.151 52.037 0.084 0.000 0.617 112 A CB -0.585 18.273 19.000 -0.237 0.000 0.827 112 A HN 0.357 nan 8.150 nan 0.000 0.443 113 K N -0.742 119.677 120.400 0.032 0.000 2.063 113 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 113 K C 2.352 178.933 176.600 -0.031 0.000 1.048 113 K CA 1.553 57.906 56.287 0.110 0.000 0.928 113 K CB -0.185 32.389 32.500 0.124 0.000 0.713 113 K HN 0.400 nan 8.250 nan 0.000 0.442 114 R N -0.180 120.187 120.500 -0.222 0.000 2.115 114 R HA 0.005 4.345 4.340 -0.000 0.000 0.226 114 R C 1.984 178.221 176.300 -0.105 0.000 1.100 114 R CA 0.890 56.850 56.100 -0.232 0.000 0.980 114 R CB 0.152 30.160 30.300 -0.486 0.000 0.875 114 R HN 0.046 nan 8.270 nan 0.000 0.445 115 R N -0.543 119.923 120.500 -0.056 0.000 2.276 115 R HA 0.065 4.405 4.340 -0.000 0.000 0.196 115 R C 1.747 178.069 176.300 0.037 0.000 0.961 115 R CA 0.597 56.704 56.100 0.012 0.000 1.024 115 R CB -0.225 30.129 30.300 0.090 0.000 0.940 115 R HN 0.190 nan 8.270 nan 0.000 0.480 116 T N 1.403 115.982 114.554 0.043 0.000 2.684 116 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 116 T C -1.062 173.671 174.700 0.053 0.000 1.036 116 T CA 1.454 63.594 62.100 0.066 0.000 1.148 116 T CB -0.785 68.148 68.868 0.109 0.000 0.863 116 T HN 0.187 nan 8.240 nan 0.000 0.436 117 P HA -0.110 nan 4.420 nan 0.000 0.214 117 P C 1.491 178.796 177.300 0.009 0.000 1.163 117 P CA 1.252 64.365 63.100 0.021 0.000 0.889 117 P CB -0.010 31.697 31.700 0.013 0.000 0.790 118 K N -0.358 120.043 120.400 0.001 0.000 2.057 118 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 118 K C 2.006 178.579 176.600 -0.044 0.000 1.049 118 K CA 1.322 57.597 56.287 -0.020 0.000 0.931 118 K CB -0.480 32.012 32.500 -0.015 0.000 0.714 118 K HN 0.061 nan 8.250 nan 0.000 0.440 119 I N 0.734 121.305 120.570 0.002 0.000 2.439 119 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 119 I C 2.324 178.490 176.117 0.082 0.000 1.139 119 I CA 0.970 62.284 61.300 0.024 0.000 1.438 119 I CB -0.201 37.878 38.000 0.132 0.000 1.085 119 I HN 0.299 nan 8.210 nan 0.000 0.427 120 Q N 0.463 120.313 119.800 0.083 0.000 2.084 120 Q HA -0.275 4.065 4.340 -0.000 0.000 0.202 120 Q C 2.068 178.089 176.000 0.035 0.000 0.978 120 Q CA 1.701 57.559 55.803 0.092 0.000 0.844 120 Q CB -0.116 28.653 28.738 0.052 0.000 0.898 120 Q HN 0.333 nan 8.270 nan 0.000 0.426 121 E N 1.146 121.329 120.200 -0.027 0.000 2.110 121 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 121 E C 1.804 178.294 176.600 -0.183 0.000 0.988 121 E CA 1.517 57.876 56.400 -0.069 0.000 0.804 121 E CB -0.000 29.664 29.700 -0.059 0.000 0.745 121 E HN 0.309 nan 8.360 nan 0.000 0.458 122 Q N -1.167 118.419 119.800 -0.357 0.000 2.050 122 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 122 Q C 2.001 177.624 176.000 -0.629 0.000 0.980 122 Q CA 1.753 57.048 55.803 -0.846 0.000 0.840 122 Q CB -0.263 27.828 28.738 -1.079 0.000 0.898 122 Q HN 0.469 nan 8.270 nan 0.000 0.424 123 Y N 0.023 120.165 120.300 -0.262 0.000 2.293 123 Y HA -0.161 4.389 4.550 -0.000 0.000 0.291 123 Y C 2.505 178.348 175.900 -0.095 0.000 1.137 123 Y CA 1.043 59.050 58.100 -0.155 0.000 1.202 123 Y CB -0.006 38.379 38.460 -0.125 0.000 0.990 123 Y HN 0.042 nan 8.280 nan 0.000 0.537 124 R N 0.502 121.026 120.500 0.040 0.000 2.081 124 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 124 R C 2.012 178.323 176.300 0.018 0.000 1.131 124 R CA 1.085 57.203 56.100 0.028 0.000 0.960 124 R CB 0.010 30.317 30.300 0.012 0.000 0.856 124 R HN 0.107 nan 8.270 nan 0.000 0.436 125 R N 0.891 121.386 120.500 -0.008 0.000 2.241 125 R HA -0.103 4.237 4.340 -0.000 0.000 0.224 125 R C 1.814 178.154 176.300 0.067 0.000 1.101 125 R CA 1.103 57.231 56.100 0.045 0.000 0.995 125 R CB -0.363 30.010 30.300 0.121 0.000 0.870 125 R HN 0.536 nan 8.270 nan 0.000 0.463 126 I N -4.539 116.060 120.570 0.049 0.000 3.927 126 I HA 0.436 4.606 4.170 -0.000 0.000 0.332 126 I C 0.680 176.840 176.117 0.071 0.000 1.485 126 I CA 0.322 61.662 61.300 0.067 0.000 1.131 126 I CB 0.794 38.834 38.000 0.066 0.000 1.092 126 I HN 0.080 nan 8.210 nan 0.000 0.410 127 G N 1.008 109.843 108.800 0.059 0.000 2.211 127 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.201 127 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.201 127 G C 0.944 175.872 174.900 0.047 0.000 0.997 127 G CA -0.411 44.719 45.100 0.050 0.000 0.652 127 G HN 1.368 nan 8.290 nan 0.000 0.500 128 G N -1.355 107.485 108.800 0.066 0.000 2.168 128 G HA2 0.526 4.486 3.960 -0.000 0.000 0.197 128 G HA3 0.526 4.486 3.960 -0.000 0.000 0.197 128 G C 1.330 176.249 174.900 0.032 0.000 0.997 128 G CA 0.797 45.926 45.100 0.049 0.000 0.658 128 G HN 2.672 nan 8.290 nan 0.000 0.513 129 G N -1.449 107.403 108.800 0.086 0.000 2.320 129 G HA2 0.590 4.549 3.960 -0.000 0.000 0.297 129 G HA3 0.590 4.549 3.960 -0.000 0.000 0.297 129 G C -0.627 174.316 174.900 0.073 0.000 1.344 129 G CA 0.531 45.605 45.100 -0.044 0.000 0.851 129 G HN 1.555 nan 8.290 nan 0.000 0.567 130 S N 0.283 115.924 115.700 -0.099 0.000 2.537 130 S HA 0.679 5.148 4.470 -0.000 0.000 0.275 130 S C -1.217 173.406 174.600 0.038 0.000 1.272 130 S CA -0.950 57.279 58.200 0.048 0.000 1.050 130 S CB 1.549 64.706 63.200 -0.072 0.000 0.961 130 S HN 0.492 nan 8.310 nan 0.000 0.496 131 P HA 0.238 nan 4.420 nan 0.000 0.261 131 P C 1.312 178.714 177.300 0.171 0.000 1.268 131 P CA -0.003 63.152 63.100 0.091 0.000 0.833 131 P CB 0.026 31.827 31.700 0.169 0.000 1.231 132 I N 0.824 121.522 120.570 0.214 0.000 2.151 132 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 132 I C 2.619 178.916 176.117 0.300 0.000 1.080 132 I CA 1.749 63.213 61.300 0.274 0.000 1.339 132 I CB -0.505 37.586 38.000 0.151 0.000 1.039 132 I HN 0.021 nan 8.210 nan 0.000 0.409 133 K N 1.391 121.944 120.400 0.255 0.000 2.097 133 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 133 K C 2.126 178.825 176.600 0.164 0.000 1.050 133 K CA 1.285 57.795 56.287 0.371 0.000 0.938 133 K CB -0.029 32.687 32.500 0.360 0.000 0.718 133 K HN 0.246 nan 8.250 nan 0.000 0.442 134 I N -0.366 120.212 120.570 0.014 0.000 2.142 134 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 134 I C 1.958 177.991 176.117 -0.140 0.000 1.078 134 I CA 1.581 62.786 61.300 -0.158 0.000 1.343 134 I CB -0.324 37.441 38.000 -0.392 0.000 1.046 134 I HN 0.353 nan 8.210 nan 0.000 0.405 135 W N 0.633 121.972 121.300 0.065 0.000 2.381 135 W HA -0.174 4.486 4.660 -0.000 0.000 0.301 135 W C 2.773 179.298 176.519 0.011 0.000 1.205 135 W CA 0.975 58.344 57.345 0.041 0.000 1.285 135 W CB -0.707 28.784 29.460 0.051 0.000 1.133 135 W HN -0.009 nan 8.180 nan 0.000 0.521 136 T N -0.299 114.409 114.554 0.256 0.000 2.708 136 T HA -0.208 4.142 4.350 -0.000 0.000 0.266 136 T C 1.813 176.472 174.700 -0.069 0.000 1.037 136 T CA 1.856 64.016 62.100 0.100 0.000 1.146 136 T CB -0.591 68.370 68.868 0.156 0.000 0.865 136 T HN 0.012 nan 8.240 nan 0.000 0.435 137 S N 0.758 116.446 115.700 -0.020 0.000 2.368 137 S HA -0.099 4.371 4.470 -0.000 0.000 0.225 137 S C 2.023 176.514 174.600 -0.182 0.000 1.030 137 S CA 1.186 59.329 58.200 -0.096 0.000 0.999 137 S CB -0.226 63.013 63.200 0.065 0.000 0.844 137 S HN 0.490 nan 8.310 nan 0.000 0.459 138 K N 0.990 121.362 120.400 -0.046 0.000 2.057 138 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 138 K C 2.239 178.812 176.600 -0.046 0.000 1.049 138 K CA 1.310 57.595 56.287 -0.004 0.000 0.931 138 K CB -0.130 32.441 32.500 0.118 0.000 0.714 138 K HN 0.374 nan 8.250 nan 0.000 0.440 139 Q N -0.588 119.193 119.800 -0.033 0.000 2.079 139 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 139 Q C 2.163 177.996 176.000 -0.278 0.000 0.974 139 Q CA 1.450 57.198 55.803 -0.091 0.000 0.840 139 Q CB -0.204 28.526 28.738 -0.012 0.000 0.898 139 Q HN 0.507 nan 8.270 nan 0.000 0.430 140 G N 1.076 109.573 108.800 -0.506 0.000 2.418 140 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 140 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 140 G C 1.075 175.603 174.900 -0.620 0.000 1.158 140 G CA 0.814 45.393 45.100 -0.868 0.000 0.771 140 G HN 0.320 nan 8.290 nan 0.000 0.545 141 E N 0.077 120.007 120.200 -0.451 0.000 2.047 141 E HA -0.036 4.314 4.350 -0.000 0.000 0.191 141 E C 2.796 179.361 176.600 -0.060 0.000 0.987 141 E CA 0.675 57.034 56.400 -0.068 0.000 0.799 141 E CB -0.372 29.331 29.700 0.005 0.000 0.752 141 E HN 0.375 nan 8.360 nan 0.000 0.449 142 G N 1.415 110.159 108.800 -0.092 0.000 2.422 142 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 142 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 142 G C 1.538 176.377 174.900 -0.102 0.000 1.146 142 G CA 0.846 45.902 45.100 -0.074 0.000 0.769 142 G HN 0.135 nan 8.290 nan 0.000 0.547 143 M N 0.289 119.803 119.600 -0.144 0.000 2.067 143 M HA -0.081 4.399 4.480 -0.000 0.000 0.260 143 M C 2.542 178.774 176.300 -0.114 0.000 1.069 143 M CA 1.532 56.741 55.300 -0.152 0.000 1.117 143 M CB -0.251 32.248 32.600 -0.169 0.000 1.334 143 M HN 0.086 nan 8.290 nan 0.000 0.407 144 V N 1.258 121.141 119.914 -0.052 0.000 2.287 144 V HA -0.339 3.781 4.120 -0.000 0.000 0.248 144 V C 2.267 178.336 176.094 -0.041 0.000 1.053 144 V CA 2.267 64.564 62.300 -0.006 0.000 1.027 144 V CB -0.823 31.064 31.823 0.107 0.000 0.646 144 V HN 0.527 nan 8.190 nan 0.000 0.447 145 K N -0.335 120.047 120.400 -0.031 0.000 2.044 145 K HA -0.203 4.117 4.320 -0.000 0.000 0.210 145 K C 2.064 178.623 176.600 -0.069 0.000 1.049 145 K CA 1.673 57.940 56.287 -0.033 0.000 0.927 145 K CB -0.395 32.088 32.500 -0.027 0.000 0.713 145 K HN 0.371 nan 8.250 nan 0.000 0.443 146 L N 0.809 121.972 121.223 -0.099 0.000 2.027 146 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 146 L C 2.434 179.187 176.870 -0.195 0.000 1.074 146 L CA 1.055 55.818 54.840 -0.129 0.000 0.745 146 L CB -0.537 41.443 42.059 -0.132 0.000 0.898 146 L HN 0.191 nan 8.230 nan 0.000 0.433 147 L N -0.237 120.825 121.223 -0.269 0.000 2.043 147 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 147 L C 2.271 178.867 176.870 -0.458 0.000 1.075 147 L CA 1.256 55.797 54.840 -0.498 0.000 0.752 147 L CB -0.690 40.902 42.059 -0.779 0.000 0.891 147 L HN 0.319 nan 8.230 nan 0.000 0.432 148 D N -0.419 119.867 120.400 -0.190 0.000 2.182 148 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 148 D C 2.176 178.475 176.300 -0.001 0.000 0.986 148 D CA 0.990 55.028 54.000 0.063 0.000 0.847 148 D CB 0.007 40.861 40.800 0.089 0.000 0.942 148 D HN 0.362 nan 8.370 nan 0.000 0.467 149 E N -0.070 120.088 120.200 -0.071 0.000 2.140 149 E HA 0.051 4.401 4.350 -0.000 0.000 0.191 149 E C 2.492 179.022 176.600 -0.116 0.000 0.973 149 E CA 0.003 56.361 56.400 -0.070 0.000 0.829 149 E CB -0.073 29.586 29.700 -0.069 0.000 0.781 149 E HN 0.323 nan 8.360 nan 0.000 0.466 150 L N 0.275 121.372 121.223 -0.210 0.000 2.072 150 L HA -0.006 4.334 4.340 -0.000 0.000 0.205 150 L C 1.451 178.113 176.870 -0.347 0.000 1.079 150 L CA 0.827 55.443 54.840 -0.373 0.000 0.752 150 L CB 0.111 41.804 42.059 -0.611 0.000 0.906 150 L HN -0.093 nan 8.230 nan 0.000 0.436 151 S N -1.092 114.499 115.700 -0.181 0.000 2.060 151 S HA 0.299 4.769 4.470 -0.000 0.000 0.156 151 S C -1.842 172.845 174.600 0.144 0.000 1.690 151 S CA -1.424 56.801 58.200 0.043 0.000 1.238 151 S CB 0.506 63.815 63.200 0.183 0.000 1.150 151 S HN -0.118 nan 8.310 nan 0.000 0.437 152 P HA -0.092 nan 4.420 nan 0.000 0.216 152 P C 1.240 178.570 177.300 0.049 0.000 1.150 152 P CA 0.986 64.124 63.100 0.064 0.000 0.837 152 P CB 0.109 31.826 31.700 0.028 0.000 0.786 153 N N -1.011 117.718 118.700 0.047 0.000 2.272 153 N HA -0.084 4.656 4.740 -0.000 0.000 0.185 153 N C 0.904 176.415 175.510 0.000 0.000 1.014 153 N CA 1.614 54.677 53.050 0.023 0.000 0.870 153 N CB -0.987 37.517 38.487 0.029 0.000 0.975 153 N HN 0.290 nan 8.380 nan 0.000 0.433 154 T N -0.915 113.650 114.554 0.017 0.000 3.332 154 T HA 0.640 4.990 4.350 -0.000 0.000 0.246 154 T C 0.871 175.386 174.700 -0.308 0.000 0.943 154 T CA 0.107 62.155 62.100 -0.088 0.000 0.922 154 T CB -0.242 68.645 68.868 0.031 0.000 1.086 154 T HN 0.344 nan 8.240 nan 0.000 0.590 155 A N 2.431 125.155 122.820 -0.160 0.000 5.797 155 A HA -0.136 4.184 4.320 -0.000 0.000 0.542 155 A C -2.196 175.250 177.584 -0.230 0.000 1.707 155 A CA -0.103 51.846 52.037 -0.148 0.000 1.676 155 A CB -2.048 16.882 19.000 -0.117 0.000 1.462 155 A HN 0.513 nan 8.150 nan 0.000 0.643 156 P HA 0.409 nan 4.420 nan 0.000 0.271 156 P C -0.745 176.451 177.300 -0.174 0.000 1.220 156 P CA 0.508 63.559 63.100 -0.082 0.000 0.768 156 P CB 0.332 32.008 31.700 -0.040 0.000 0.848 157 H N 1.103 120.173 119.070 0.000 0.000 2.472 157 H HA 0.552 5.108 4.556 -0.000 0.000 0.335 157 H C 0.243 175.574 175.328 0.004 0.000 1.136 157 H CA -0.325 55.733 56.048 0.017 0.000 1.264 157 H CB 1.191 30.966 29.762 0.023 0.000 1.486 157 H HN 0.234 nan 8.280 nan 0.000 0.517 158 K N 2.286 122.754 120.400 0.114 0.000 2.482 158 K HA 0.250 4.570 4.320 -0.000 0.000 0.251 158 K C -1.438 175.133 176.600 -0.048 0.000 0.936 158 K CA -0.952 55.297 56.287 -0.063 0.000 0.791 158 K CB 1.301 33.671 32.500 -0.216 0.000 1.213 158 K HN 0.646 nan 8.250 nan 0.000 0.428 159 Y N 1.645 121.840 120.300 -0.174 0.000 2.352 159 Y HA 0.570 5.120 4.550 -0.000 0.000 0.326 159 Y C -1.577 174.160 175.900 -0.272 0.000 1.166 159 Y CA -0.682 57.370 58.100 -0.080 0.000 1.182 159 Y CB 0.736 39.166 38.460 -0.050 0.000 1.216 159 Y HN 0.389 nan 8.280 nan 0.000 0.474 160 Y N 3.124 123.463 120.300 0.066 0.000 2.512 160 Y HA 0.576 5.126 4.550 -0.000 0.000 0.348 160 Y C -0.637 175.296 175.900 0.056 0.000 0.990 160 Y CA -1.519 56.554 58.100 -0.045 0.000 1.033 160 Y CB 1.876 40.310 38.460 -0.043 0.000 1.259 160 Y HN 0.572 nan 8.280 nan 0.000 0.461 161 I N 2.065 122.693 120.570 0.096 0.000 2.336 161 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 161 I C 0.326 176.322 176.117 -0.202 0.000 0.991 161 I CA -0.482 60.736 61.300 -0.137 0.000 1.227 161 I CB 1.422 39.194 38.000 -0.381 0.000 1.366 161 I HN 0.868 nan 8.210 nan 0.000 0.466 162 G N 6.902 115.597 108.800 -0.176 0.000 3.039 162 G HA2 0.499 4.459 3.960 -0.000 0.000 0.329 162 G HA3 0.499 4.459 3.960 -0.000 0.000 0.329 162 G C -0.702 174.196 174.900 -0.004 0.000 1.361 162 G CA -0.290 44.769 45.100 -0.068 0.000 1.088 162 G HN 0.406 nan 8.290 nan 0.000 0.501 163 F N 0.834 120.819 119.950 0.059 0.000 2.399 163 F HA 0.334 4.861 4.527 0.000 0.000 0.342 163 F C 1.707 177.480 175.800 -0.044 0.000 1.106 163 F CA -1.161 56.865 58.000 0.043 0.000 1.196 163 F CB 2.046 41.085 39.000 0.065 0.000 1.163 163 F HN 0.410 nan 8.300 nan 0.000 0.547 164 R N 1.569 122.115 120.500 0.077 0.000 2.075 164 R HA -0.053 4.286 4.340 -0.000 0.000 0.226 164 R C 0.597 176.594 176.300 -0.505 0.000 1.114 164 R CA 1.746 57.637 56.100 -0.348 0.000 0.972 164 R CB -0.270 29.618 30.300 -0.687 0.000 0.869 164 R HN 0.728 nan 8.270 nan 0.000 0.437 165 Y N -1.031 119.369 120.300 0.165 0.000 2.557 165 Y HA 0.308 4.858 4.550 -0.000 0.000 0.247 165 Y C -0.219 175.759 175.900 0.131 0.000 1.164 165 Y CA -0.624 57.547 58.100 0.117 0.000 1.218 165 Y CB 1.093 39.608 38.460 0.092 0.000 1.210 165 Y HN -0.146 nan 8.280 nan 0.000 0.529 166 V N -4.284 115.742 119.914 0.187 0.000 3.181 166 V HA 0.477 4.597 4.120 -0.000 0.000 0.308 166 V C -0.554 175.598 176.094 0.096 0.000 1.214 166 V CA -1.363 60.977 62.300 0.065 0.000 1.053 166 V CB 1.612 33.430 31.823 -0.009 0.000 1.069 166 V HN -0.043 nan 8.190 nan 0.000 0.441 167 H N 2.326 121.522 119.070 0.211 0.000 2.652 167 H HA 0.400 4.956 4.556 -0.000 0.000 0.349 167 H C -2.368 173.156 175.328 0.327 0.000 1.099 167 H CA -1.163 55.008 56.048 0.206 0.000 1.417 167 H CB 1.492 31.328 29.762 0.124 0.000 1.457 167 H HN 0.568 nan 8.280 nan 0.000 0.568 168 P HA 0.144 nan 4.420 nan 0.000 0.287 168 P C 0.062 177.457 177.300 0.159 0.000 1.281 168 P CA -0.328 62.903 63.100 0.219 0.000 0.781 168 P CB 1.015 32.761 31.700 0.077 0.000 0.903 169 L N 2.382 123.691 121.223 0.143 0.000 2.472 169 L HA 0.079 4.419 4.340 -0.000 0.000 0.260 169 L C 2.156 179.036 176.870 0.016 0.000 1.209 169 L CA -0.108 54.771 54.840 0.064 0.000 0.817 169 L CB -0.347 41.724 42.059 0.019 0.000 1.106 169 L HN 0.376 nan 8.230 nan 0.000 0.479 170 T N -0.443 114.105 114.554 -0.009 0.000 2.684 170 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 170 T C 1.571 176.189 174.700 -0.137 0.000 1.036 170 T CA 1.686 63.760 62.100 -0.044 0.000 1.148 170 T CB -0.151 68.691 68.868 -0.043 0.000 0.863 170 T HN 0.555 nan 8.240 nan 0.000 0.436 171 E N 1.347 121.456 120.200 -0.151 0.000 2.085 171 E HA -0.114 4.235 4.350 -0.000 0.000 0.194 171 E C 2.285 178.714 176.600 -0.285 0.000 0.994 171 E CA 1.159 57.379 56.400 -0.300 0.000 0.801 171 E CB -0.293 29.380 29.700 -0.045 0.000 0.743 171 E HN 0.623 nan 8.360 nan 0.000 0.453 172 E N 0.391 120.537 120.200 -0.090 0.000 2.110 172 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 172 E C 2.052 178.612 176.600 -0.066 0.000 0.988 172 E CA 0.985 57.366 56.400 -0.033 0.000 0.804 172 E CB -0.196 29.543 29.700 0.066 0.000 0.745 172 E HN 0.289 nan 8.360 nan 0.000 0.458 173 A N 1.415 124.191 122.820 -0.073 0.000 1.873 173 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 173 A C 2.209 179.694 177.584 -0.165 0.000 1.186 173 A CA 1.022 53.026 52.037 -0.055 0.000 0.616 173 A CB -0.588 18.407 19.000 -0.010 0.000 0.823 173 A HN 0.125 nan 8.150 nan 0.000 0.442 174 I N -0.573 119.850 120.570 -0.245 0.000 2.264 174 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 174 I C 2.546 178.508 176.117 -0.258 0.000 1.111 174 I CA 1.838 62.976 61.300 -0.270 0.000 1.382 174 I CB -0.352 37.275 38.000 -0.621 0.000 1.060 174 I HN 0.535 nan 8.210 nan 0.000 0.418 175 E N 1.003 121.027 120.200 -0.293 0.000 2.077 175 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 175 E C 2.155 178.733 176.600 -0.037 0.000 0.989 175 E CA 1.352 57.698 56.400 -0.091 0.000 0.800 175 E CB 0.017 29.698 29.700 -0.031 0.000 0.746 175 E HN 0.416 nan 8.360 nan 0.000 0.452 176 E N -0.176 119.994 120.200 -0.049 0.000 2.072 176 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 176 E C 2.126 178.705 176.600 -0.035 0.000 0.985 176 E CA 1.085 57.493 56.400 0.013 0.000 0.801 176 E CB -0.003 29.759 29.700 0.103 0.000 0.750 176 E HN 0.350 nan 8.360 nan 0.000 0.452 177 M N 0.072 119.506 119.600 -0.276 0.000 2.117 177 M HA -0.181 4.299 4.480 -0.000 0.000 0.262 177 M C 2.191 178.402 176.300 -0.148 0.000 1.065 177 M CA 1.462 56.489 55.300 -0.456 0.000 1.114 177 M CB -0.184 32.010 32.600 -0.677 0.000 1.361 177 M HN 0.031 nan 8.290 nan 0.000 0.408 178 E N -0.003 120.168 120.200 -0.047 0.000 2.107 178 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 178 E C 2.192 178.814 176.600 0.037 0.000 0.982 178 E CA 0.851 57.277 56.400 0.044 0.000 0.809 178 E CB 0.212 29.996 29.700 0.140 0.000 0.756 178 E HN 0.246 nan 8.360 nan 0.000 0.459 179 R N 0.864 121.383 120.500 0.032 0.000 2.091 179 R HA -0.121 4.219 4.340 -0.000 0.000 0.238 179 R C 1.413 177.734 176.300 0.034 0.000 1.136 179 R CA 1.168 57.290 56.100 0.037 0.000 0.959 179 R CB -0.588 29.735 30.300 0.038 0.000 0.856 179 R HN 0.276 nan 8.270 nan 0.000 0.437 180 D N 0.049 120.473 120.400 0.041 0.000 2.392 180 D HA -0.015 4.625 4.640 -0.000 0.000 0.228 180 D C 0.635 176.950 176.300 0.025 0.000 1.003 180 D CA 0.899 54.929 54.000 0.050 0.000 0.917 180 D CB -0.211 40.660 40.800 0.117 0.000 0.890 180 D HN 0.393 nan 8.370 nan 0.000 0.532 181 G N 1.445 110.253 108.800 0.013 0.000 2.372 181 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.297 181 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.297 181 G C 0.185 175.076 174.900 -0.015 0.000 1.005 181 G CA -0.019 45.083 45.100 0.003 0.000 1.173 181 G HN 0.306 nan 8.290 nan 0.000 0.511 182 L N -0.740 120.461 121.223 -0.035 0.000 2.418 182 L HA 0.325 4.665 4.340 -0.000 0.000 0.265 182 L C 1.701 178.525 176.870 -0.077 0.000 1.143 182 L CA -0.523 54.281 54.840 -0.059 0.000 0.809 182 L CB 0.684 42.686 42.059 -0.094 0.000 1.124 182 L HN 0.350 nan 8.230 nan 0.000 0.456 183 E N 1.013 121.166 120.200 -0.079 0.000 2.122 183 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 183 E C 0.041 176.577 176.600 -0.107 0.000 0.977 183 E CA 0.623 56.976 56.400 -0.077 0.000 0.820 183 E CB 0.355 30.016 29.700 -0.066 0.000 0.770 183 E HN 0.487 nan 8.360 nan 0.000 0.462 184 R N -0.560 119.861 120.500 -0.132 0.000 2.698 184 R HA 0.709 5.049 4.340 -0.000 0.000 0.275 184 R C -1.613 174.532 176.300 -0.257 0.000 1.001 184 R CA -0.832 55.164 56.100 -0.174 0.000 0.896 184 R CB 1.624 31.867 30.300 -0.093 0.000 1.218 184 R HN -0.073 nan 8.270 nan 0.000 0.462 185 A N 3.742 126.292 122.820 -0.451 0.000 2.343 185 A HA 0.663 4.983 4.320 -0.000 0.000 0.316 185 A C -0.713 176.694 177.584 -0.294 0.000 1.104 185 A CA -0.992 50.656 52.037 -0.650 0.000 0.768 185 A CB 0.982 18.976 19.000 -1.678 0.000 1.213 185 A HN 0.696 nan 8.150 nan 0.000 0.456 186 I N 2.353 122.902 120.570 -0.035 0.000 2.382 186 I HA 0.413 4.583 4.170 -0.000 0.000 0.286 186 I C 0.636 176.941 176.117 0.314 0.000 1.002 186 I CA -0.474 60.940 61.300 0.189 0.000 1.135 186 I CB 1.919 39.991 38.000 0.120 0.000 1.288 186 I HN 0.719 nan 8.210 nan 0.000 0.448 187 A N 7.579 130.702 122.820 0.504 0.000 2.544 187 A HA 0.237 4.556 4.320 -0.000 0.000 0.301 187 A C -0.420 177.353 177.584 0.315 0.000 1.368 187 A CA 0.013 52.343 52.037 0.487 0.000 1.045 187 A CB -0.404 18.901 19.000 0.508 0.000 1.129 187 A HN 0.747 nan 8.150 nan 0.000 0.540 188 F N 4.025 124.045 119.950 0.116 0.000 2.309 188 F HA 0.215 4.742 4.527 0.000 0.000 0.366 188 F C 0.892 176.766 175.800 0.123 0.000 1.104 188 F CA -0.679 57.342 58.000 0.034 0.000 1.179 188 F CB 0.486 39.460 39.000 -0.044 0.000 1.437 188 F HN 0.504 nan 8.300 nan 0.000 0.528 189 T N 3.792 118.630 114.554 0.474 0.000 2.940 189 T HA -0.026 4.323 4.350 -0.000 0.000 0.309 189 T C 0.922 175.793 174.700 0.285 0.000 1.056 189 T CA -0.189 62.127 62.100 0.360 0.000 1.137 189 T CB 0.949 70.069 68.868 0.421 0.000 0.976 189 T HN 0.651 nan 8.240 nan 0.000 0.547 190 Q N 3.012 122.855 119.800 0.073 0.000 2.320 190 Q HA 0.102 4.442 4.340 -0.000 0.000 0.201 190 Q C -0.802 175.075 176.000 -0.206 0.000 0.910 190 Q CA 0.318 56.073 55.803 -0.080 0.000 0.946 190 Q CB 0.185 28.749 28.738 -0.291 0.000 1.062 190 Q HN 0.728 nan 8.270 nan 0.000 0.503 191 Y N 0.584 120.912 120.300 0.047 0.000 2.404 191 Y HA 0.196 4.746 4.550 -0.000 0.000 0.344 191 Y C -1.408 174.321 175.900 -0.286 0.000 0.970 191 Y CA -2.277 55.788 58.100 -0.059 0.000 1.180 191 Y CB 1.148 39.643 38.460 0.058 0.000 1.138 191 Y HN 0.011 nan 8.280 nan 0.000 0.510 192 P HA -0.139 nan 4.420 nan 0.000 0.218 192 P C -0.530 176.566 177.300 -0.340 0.000 1.149 192 P CA 1.349 63.761 63.100 -1.146 0.000 0.817 192 P CB 0.326 31.436 31.700 -0.984 0.000 0.785 193 Q N -1.358 118.433 119.800 -0.015 0.000 2.307 193 Q HA 0.316 4.656 4.340 -0.000 0.000 0.262 193 Q C -0.869 175.323 176.000 0.319 0.000 0.961 193 Q CA -0.644 55.258 55.803 0.164 0.000 0.882 193 Q CB 0.619 29.438 28.738 0.136 0.000 1.264 193 Q HN 0.119 nan 8.270 nan 0.000 0.446 194 Y N 1.486 121.897 120.300 0.186 0.000 2.465 194 Y HA 0.324 4.874 4.550 0.000 0.000 0.331 194 Y C -0.201 175.802 175.900 0.172 0.000 1.102 194 Y CA 0.427 58.624 58.100 0.161 0.000 1.358 194 Y CB 0.744 39.276 38.460 0.120 0.000 1.213 194 Y HN 0.600 nan 8.280 nan 0.000 0.525 195 S N 4.347 119.839 115.700 -0.347 0.000 2.536 195 S HA 0.281 4.751 4.470 -0.000 0.000 0.287 195 S C 0.202 174.467 174.600 -0.559 0.000 1.101 195 S CA -0.927 57.100 58.200 -0.288 0.000 0.950 195 S CB 0.758 63.678 63.200 -0.467 0.000 1.056 195 S HN 0.960 nan 8.310 nan 0.000 0.481 196 C N 2.592 121.756 119.300 -0.228 0.000 2.432 196 C HA 0.037 4.497 4.460 -0.000 0.000 0.282 196 C C 2.564 177.430 174.990 -0.208 0.000 1.388 196 C CA 0.796 59.719 59.018 -0.158 0.000 1.777 196 C CB -1.448 26.306 27.740 0.023 0.000 1.882 196 C HN 0.875 nan 8.230 nan 0.000 0.520 197 S N 0.536 116.087 115.700 -0.249 0.000 2.489 197 S HA -0.073 4.397 4.470 -0.000 0.000 0.228 197 S C 1.725 176.161 174.600 -0.273 0.000 0.995 197 S CA 1.560 59.626 58.200 -0.224 0.000 0.934 197 S CB -0.211 62.843 63.200 -0.244 0.000 0.771 197 S HN 0.916 nan 8.310 nan 0.000 0.522 198 T N -1.089 113.206 114.554 -0.433 0.000 3.556 198 T HA 0.087 4.437 4.350 -0.000 0.000 0.204 198 T C 1.809 176.270 174.700 -0.398 0.000 0.896 198 T CA 0.700 62.468 62.100 -0.553 0.000 1.380 198 T CB -1.084 67.085 68.868 -1.165 0.000 1.584 198 T HN 0.032 nan 8.240 nan 0.000 0.411 199 T N 1.721 115.996 114.554 -0.464 0.000 2.720 199 T HA 0.031 4.381 4.350 -0.000 0.000 0.268 199 T C 2.172 176.734 174.700 -0.231 0.000 1.037 199 T CA 1.700 63.654 62.100 -0.244 0.000 1.144 199 T CB -1.203 67.511 68.868 -0.257 0.000 0.864 199 T HN 0.636 nan 8.240 nan 0.000 0.444 200 G N 0.496 109.023 108.800 -0.455 0.000 2.440 200 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 200 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 200 G C 1.853 176.739 174.900 -0.023 0.000 1.154 200 G CA 1.283 46.315 45.100 -0.114 0.000 0.767 200 G HN 0.534 nan 8.290 nan 0.000 0.552 201 S N 0.163 115.817 115.700 -0.077 0.000 2.368 201 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 201 S C 2.652 177.246 174.600 -0.009 0.000 1.030 201 S CA 1.909 60.093 58.200 -0.028 0.000 0.999 201 S CB -0.405 62.772 63.200 -0.038 0.000 0.844 201 S HN 0.290 nan 8.310 nan 0.000 0.459 202 S N 1.238 116.934 115.700 -0.007 0.000 2.382 202 S HA 0.082 4.552 4.470 -0.000 0.000 0.228 202 S C 1.750 176.397 174.600 0.078 0.000 1.027 202 S CA 1.238 59.460 58.200 0.036 0.000 0.991 202 S CB -0.397 62.859 63.200 0.093 0.000 0.823 202 S HN 0.480 nan 8.310 nan 0.000 0.469 203 L N 1.466 122.756 121.223 0.112 0.000 2.109 203 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 203 L C 2.071 179.055 176.870 0.189 0.000 1.086 203 L CA 0.748 55.711 54.840 0.205 0.000 0.760 203 L CB -0.666 41.526 42.059 0.221 0.000 0.910 203 L HN 0.242 nan 8.230 nan 0.000 0.437 204 N N 0.678 119.457 118.700 0.133 0.000 2.223 204 N HA -0.150 4.590 4.740 -0.000 0.000 0.185 204 N C 1.891 177.455 175.510 0.090 0.000 1.016 204 N CA 1.487 54.616 53.050 0.132 0.000 0.863 204 N CB -0.242 38.306 38.487 0.102 0.000 0.983 204 N HN 0.305 nan 8.380 nan 0.000 0.429 205 A N 1.118 123.960 122.820 0.037 0.000 1.933 205 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 205 A C 2.312 179.860 177.584 -0.059 0.000 1.175 205 A CA 0.835 52.867 52.037 -0.008 0.000 0.628 205 A CB -0.548 18.437 19.000 -0.025 0.000 0.814 205 A HN 0.206 nan 8.150 nan 0.000 0.444 206 I N -1.989 118.526 120.570 -0.091 0.000 2.202 206 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 206 I C 2.496 178.365 176.117 -0.413 0.000 1.091 206 I CA 1.753 62.897 61.300 -0.259 0.000 1.368 206 I CB -0.503 37.303 38.000 -0.325 0.000 1.058 206 I HN 0.552 nan 8.210 nan 0.000 0.410 207 Y N 2.138 122.086 120.300 -0.587 0.000 2.097 207 Y HA -0.229 4.321 4.550 -0.000 0.000 0.282 207 Y C 2.727 178.436 175.900 -0.318 0.000 1.152 207 Y CA 1.514 59.171 58.100 -0.740 0.000 1.136 207 Y CB -0.368 37.816 38.460 -0.459 0.000 0.975 207 Y HN -0.060 nan 8.280 nan 0.000 0.498 208 R N -0.937 119.332 120.500 -0.385 0.000 2.105 208 R HA -0.241 4.099 4.340 -0.000 0.000 0.239 208 R C 2.147 178.259 176.300 -0.314 0.000 1.135 208 R CA 1.732 57.608 56.100 -0.374 0.000 0.967 208 R CB -1.099 29.141 30.300 -0.099 0.000 0.861 208 R HN 0.525 nan 8.270 nan 0.000 0.442 209 Y N 0.724 120.811 120.300 -0.354 0.000 2.030 209 Y HA -0.336 4.214 4.550 -0.000 0.000 0.274 209 Y C 1.949 177.626 175.900 -0.371 0.000 1.153 209 Y CA 1.673 59.556 58.100 -0.362 0.000 1.115 209 Y CB -0.869 37.311 38.460 -0.466 0.000 0.969 209 Y HN -0.003 nan 8.280 nan 0.000 0.488 210 Y N 0.361 120.442 120.300 -0.364 0.000 2.224 210 Y HA -0.268 4.282 4.550 -0.000 0.000 0.289 210 Y C 2.808 178.485 175.900 -0.371 0.000 1.146 210 Y CA 1.660 59.548 58.100 -0.354 0.000 1.182 210 Y CB -0.598 37.777 38.460 -0.142 0.000 0.983 210 Y HN 0.327 nan 8.280 nan 0.000 0.524 211 N N 0.486 118.983 118.700 -0.338 0.000 2.188 211 N HA -0.226 4.513 4.740 -0.000 0.000 0.184 211 N C 1.917 177.277 175.510 -0.250 0.000 1.018 211 N CA 1.315 54.161 53.050 -0.339 0.000 0.858 211 N CB -0.104 38.013 38.487 -0.616 0.000 0.989 211 N HN 0.507 nan 8.380 nan 0.000 0.426 212 Q N 0.391 120.017 119.800 -0.289 0.000 2.096 212 Q HA -0.024 4.315 4.340 -0.000 0.000 0.197 212 Q C 1.841 177.697 176.000 -0.239 0.000 0.964 212 Q CA 0.750 56.418 55.803 -0.224 0.000 0.838 212 Q CB 0.067 28.684 28.738 -0.202 0.000 0.906 212 Q HN 0.136 nan 8.270 nan 0.000 0.444 213 V N 0.615 120.302 119.914 -0.378 0.000 3.383 213 V HA 0.001 4.121 4.120 -0.000 0.000 0.272 213 V C 1.029 177.010 176.094 -0.188 0.000 1.181 213 V CA 1.376 63.467 62.300 -0.348 0.000 1.171 213 V CB -0.948 30.504 31.823 -0.619 0.000 0.800 213 V HN 0.712 nan 8.190 nan 0.000 0.515 214 G N 1.023 109.734 108.800 -0.149 0.000 2.233 214 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.270 214 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.270 214 G C 0.281 175.161 174.900 -0.033 0.000 1.011 214 G CA 0.868 45.922 45.100 -0.076 0.000 0.762 214 G HN 0.604 nan 8.290 nan 0.000 0.511 215 R N -0.743 119.750 120.500 -0.011 0.000 2.854 215 R HA 0.584 4.924 4.340 -0.000 0.000 0.271 215 R C 0.211 176.596 176.300 0.141 0.000 0.994 215 R CA -0.794 55.342 56.100 0.060 0.000 0.945 215 R CB 1.470 31.816 30.300 0.075 0.000 1.194 215 R HN 0.367 nan 8.270 nan 0.000 0.476 216 K N 0.837 121.299 120.400 0.103 0.000 2.087 216 K HA 0.484 4.804 4.320 -0.000 0.000 0.255 216 K C -2.523 174.098 176.600 0.036 0.000 0.988 216 K CA -1.624 54.690 56.287 0.044 0.000 0.915 216 K CB 0.714 33.216 32.500 0.003 0.000 1.043 216 K HN 0.114 nan 8.250 nan 0.000 0.457 217 P HA -0.011 nan 4.420 nan 0.000 0.269 217 P C -0.130 177.210 177.300 0.066 0.000 1.209 217 P CA -0.267 62.743 63.100 -0.150 0.000 0.776 217 P CB 0.850 32.376 31.700 -0.290 0.000 0.876 218 T N -1.650 113.000 114.554 0.159 0.000 3.069 218 T HA 0.327 4.677 4.350 -0.000 0.000 0.252 218 T C 0.486 175.207 174.700 0.035 0.000 1.053 218 T CA 0.032 62.183 62.100 0.086 0.000 0.964 218 T CB -0.404 68.522 68.868 0.097 0.000 1.005 218 T HN 0.210 nan 8.240 nan 0.000 0.532 219 M N 0.957 120.571 119.600 0.023 0.000 2.644 219 M HA 0.487 4.967 4.480 -0.000 0.000 0.304 219 M C -0.563 175.668 176.300 -0.116 0.000 1.215 219 M CA -1.075 54.165 55.300 -0.100 0.000 0.871 219 M CB 2.582 35.032 32.600 -0.251 0.000 1.740 219 M HN -0.157 nan 8.290 nan 0.000 0.464 220 K N 1.358 121.678 120.400 -0.133 0.000 2.312 220 K HA 0.253 4.573 4.320 -0.000 0.000 0.287 220 K C -1.751 174.798 176.600 -0.085 0.000 1.062 220 K CA -0.079 56.166 56.287 -0.070 0.000 0.934 220 K CB 0.634 33.103 32.500 -0.051 0.000 1.027 220 K HN 0.580 nan 8.250 nan 0.000 0.478 221 W N 2.244 123.532 121.300 -0.020 0.000 2.436 221 W HA 0.319 4.979 4.660 -0.000 0.000 0.347 221 W C -0.005 176.638 176.519 0.207 0.000 1.136 221 W CA 0.064 57.474 57.345 0.108 0.000 1.286 221 W CB 1.776 31.276 29.460 0.066 0.000 1.253 221 W HN 0.753 nan 8.180 nan 0.000 0.617 222 S N 0.269 116.417 115.700 0.747 0.000 2.595 222 S HA 0.681 5.151 4.470 -0.000 0.000 0.270 222 S C -1.179 173.775 174.600 0.589 0.000 1.145 222 S CA -0.923 57.669 58.200 0.653 0.000 0.825 222 S CB 1.791 65.275 63.200 0.474 0.000 1.107 222 S HN 0.476 nan 8.310 nan 0.000 0.461 223 T N 0.562 115.277 114.554 0.267 0.000 2.916 223 T HA 0.645 4.995 4.350 -0.000 0.000 0.305 223 T C -1.504 173.076 174.700 -0.201 0.000 1.119 223 T CA -0.729 61.333 62.100 -0.063 0.000 1.008 223 T CB 0.953 69.520 68.868 -0.502 0.000 1.129 223 T HN 0.673 nan 8.240 nan 0.000 0.480 224 I N 5.095 125.501 120.570 -0.274 0.000 2.377 224 I HA 0.256 4.426 4.170 -0.000 0.000 0.282 224 I C 1.063 177.250 176.117 0.116 0.000 1.091 224 I CA -0.517 60.634 61.300 -0.249 0.000 1.207 224 I CB 0.944 38.603 38.000 -0.568 0.000 1.429 224 I HN 0.743 nan 8.210 nan 0.000 0.491 225 D N 6.308 126.790 120.400 0.137 0.000 2.347 225 D HA -0.042 4.598 4.640 -0.000 0.000 0.213 225 D C 0.587 177.148 176.300 0.435 0.000 0.985 225 D CA 0.183 54.344 54.000 0.268 0.000 0.879 225 D CB 0.579 41.478 40.800 0.165 0.000 0.919 225 D HN 0.541 nan 8.370 nan 0.000 0.526 226 R N -0.922 119.844 120.500 0.444 0.000 2.687 226 R HA 0.331 4.671 4.340 -0.000 0.000 0.265 226 R C -1.725 174.924 176.300 0.581 0.000 1.048 226 R CA -1.027 55.349 56.100 0.459 0.000 0.884 226 R CB 0.301 30.790 30.300 0.316 0.000 1.258 226 R HN 0.152 nan 8.270 nan 0.000 0.469 227 W N 0.846 122.273 121.300 0.212 0.000 0.885 227 W HA 0.241 4.901 4.660 -0.000 0.000 0.320 227 W C -2.648 173.999 176.519 0.214 0.000 0.884 227 W CA -1.533 55.934 57.345 0.204 0.000 1.281 227 W CB -0.242 29.343 29.460 0.208 0.000 1.324 227 W HN 0.503 nan 8.180 nan 0.000 0.495 228 P HA -0.141 nan 4.420 nan 0.000 0.220 228 P C 1.220 178.597 177.300 0.129 0.000 1.148 228 P CA 2.370 65.510 63.100 0.066 0.000 0.803 228 P CB 0.013 31.748 31.700 0.058 0.000 0.782 229 T N -5.568 109.102 114.554 0.193 0.000 3.182 229 T HA 0.058 4.408 4.350 -0.000 0.000 0.277 229 T C 0.660 175.498 174.700 0.230 0.000 1.013 229 T CA -0.529 61.675 62.100 0.174 0.000 0.900 229 T CB -1.118 67.817 68.868 0.111 0.000 1.098 229 T HN 0.119 nan 8.240 nan 0.000 0.543 230 H N 2.737 121.968 119.070 0.267 0.000 3.157 230 H HA -0.059 4.497 4.556 -0.000 0.000 0.299 230 H C 1.570 177.001 175.328 0.171 0.000 0.961 230 H CA 1.318 57.520 56.048 0.256 0.000 1.428 230 H CB 0.595 30.552 29.762 0.326 0.000 1.459 230 H HN 0.738 nan 8.280 nan 0.000 0.566 231 H N 3.600 122.485 119.070 -0.308 0.000 2.394 231 H HA -0.163 4.393 4.556 -0.000 0.000 0.297 231 H C 1.732 177.063 175.328 0.005 0.000 1.113 231 H CA 1.887 57.852 56.048 -0.137 0.000 1.277 231 H CB -0.059 29.595 29.762 -0.179 0.000 1.370 231 H HN 0.542 nan 8.280 nan 0.000 0.506 232 L N -0.452 120.445 121.223 -0.543 0.000 2.179 232 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 232 L C 2.475 179.399 176.870 0.090 0.000 1.096 232 L CA 0.613 55.366 54.840 -0.146 0.000 0.779 232 L CB -0.254 41.738 42.059 -0.112 0.000 0.922 232 L HN 0.300 nan 8.230 nan 0.000 0.443 233 L N 0.155 121.546 121.223 0.280 0.000 2.017 233 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 233 L C 2.410 179.318 176.870 0.064 0.000 1.073 233 L CA 1.780 56.741 54.840 0.201 0.000 0.745 233 L CB -0.396 41.912 42.059 0.415 0.000 0.894 233 L HN 0.045 nan 8.230 nan 0.000 0.432 234 I N -0.227 120.450 120.570 0.178 0.000 2.208 234 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 234 I C 2.584 178.779 176.117 0.131 0.000 1.097 234 I CA 1.610 63.030 61.300 0.200 0.000 1.363 234 I CB -1.437 36.648 38.000 0.141 0.000 1.051 234 I HN 0.571 nan 8.210 nan 0.000 0.413 235 Q N 0.056 119.898 119.800 0.071 0.000 2.084 235 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 235 Q C 2.616 178.618 176.000 0.003 0.000 0.978 235 Q CA 2.084 57.914 55.803 0.045 0.000 0.844 235 Q CB 0.059 28.821 28.738 0.041 0.000 0.898 235 Q HN 0.512 nan 8.270 nan 0.000 0.426 236 C N -0.176 119.074 119.300 -0.084 0.000 2.432 236 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 236 C C 2.304 177.125 174.990 -0.281 0.000 1.249 236 C CA 0.652 59.514 59.018 -0.260 0.000 1.725 236 C CB -1.270 26.226 27.740 -0.407 0.000 2.028 236 C HN 0.572 nan 8.230 nan 0.000 0.477 237 F N 1.353 121.218 119.950 -0.140 0.000 2.095 237 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 237 F C 2.626 178.419 175.800 -0.012 0.000 1.104 237 F CA 1.254 59.204 58.000 -0.084 0.000 1.232 237 F CB -0.524 38.464 39.000 -0.020 0.000 0.987 237 F HN 0.187 nan 8.300 nan 0.000 0.475 238 A N 0.006 122.945 122.820 0.199 0.000 1.908 238 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 238 A C 1.829 179.472 177.584 0.099 0.000 1.181 238 A CA 2.169 54.277 52.037 0.118 0.000 0.627 238 A CB -0.819 18.226 19.000 0.075 0.000 0.818 238 A HN 0.288 nan 8.150 nan 0.000 0.445 239 D N -0.883 119.574 120.400 0.095 0.000 2.097 239 D HA -0.131 4.509 4.640 -0.000 0.000 0.195 239 D C 1.735 178.149 176.300 0.191 0.000 0.989 239 D CA 1.434 55.505 54.000 0.119 0.000 0.827 239 D CB -0.611 40.264 40.800 0.125 0.000 0.966 239 D HN 0.731 nan 8.370 nan 0.000 0.456 240 H N -0.230 118.851 119.070 0.019 0.000 2.423 240 H HA 0.036 4.592 4.556 -0.000 0.000 0.297 240 H C 2.251 177.581 175.328 0.003 0.000 1.075 240 H CA 0.204 56.256 56.048 0.006 0.000 1.342 240 H CB 0.373 30.145 29.762 0.017 0.000 1.395 240 H HN 0.129 nan 8.280 nan 0.000 0.530 241 I N 0.670 121.328 120.570 0.147 0.000 2.202 241 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 241 I C 2.223 178.352 176.117 0.021 0.000 1.091 241 I CA 0.858 62.192 61.300 0.057 0.000 1.368 241 I CB -0.097 37.921 38.000 0.030 0.000 1.058 241 I HN 0.196 nan 8.210 nan 0.000 0.410 242 L N 1.075 122.312 121.223 0.024 0.000 2.012 242 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 242 L C 2.698 179.539 176.870 -0.048 0.000 1.073 242 L CA 1.809 56.647 54.840 -0.004 0.000 0.748 242 L CB -0.725 41.339 42.059 0.009 0.000 0.891 242 L HN 0.322 nan 8.230 nan 0.000 0.431 243 K N -0.151 120.205 120.400 -0.073 0.000 2.147 243 K HA -0.237 4.083 4.320 -0.000 0.000 0.205 243 K C 1.882 178.239 176.600 -0.404 0.000 1.049 243 K CA 1.666 57.833 56.287 -0.200 0.000 0.936 243 K CB -0.175 32.220 32.500 -0.175 0.000 0.722 243 K HN 0.091 nan 8.250 nan 0.000 0.446 244 E N 1.417 121.484 120.200 -0.221 0.000 2.107 244 E HA -0.003 4.347 4.350 -0.000 0.000 0.191 244 E C 1.932 178.561 176.600 0.047 0.000 0.982 244 E CA 0.751 57.057 56.400 -0.156 0.000 0.809 244 E CB -0.162 29.552 29.700 0.023 0.000 0.756 244 E HN 0.349 nan 8.360 nan 0.000 0.459 245 L N 0.760 122.032 121.223 0.082 0.000 2.127 245 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 245 L C 1.481 178.451 176.870 0.166 0.000 1.089 245 L CA 1.170 56.110 54.840 0.167 0.000 0.757 245 L CB -0.318 41.746 42.059 0.008 0.000 0.899 245 L HN 0.142 nan 8.230 nan 0.000 0.434 246 D N -1.092 119.311 120.400 0.005 0.000 2.264 246 D HA -0.142 4.498 4.640 -0.000 0.000 0.208 246 D C 1.755 178.126 176.300 0.118 0.000 0.966 246 D CA 1.110 55.118 54.000 0.014 0.000 0.864 246 D CB -0.130 40.630 40.800 -0.066 0.000 0.933 246 D HN 0.534 nan 8.370 nan 0.000 0.499 247 H N -1.534 117.585 119.070 0.081 0.000 2.551 247 H HA 0.089 4.645 4.556 0.000 0.000 0.266 247 H C 0.253 175.546 175.328 -0.057 0.000 0.977 247 H CA -0.555 55.483 56.048 -0.018 0.000 1.163 247 H CB 0.235 29.938 29.762 -0.098 0.000 1.381 247 H HN 0.012 nan 8.280 nan 0.000 0.581 248 F N 1.232 121.235 119.950 0.088 0.000 2.380 248 F HA 0.215 4.742 4.527 0.000 0.000 0.325 248 F C -1.743 174.076 175.800 0.033 0.000 1.136 248 F CA -2.830 55.196 58.000 0.043 0.000 1.171 248 F CB 0.370 39.380 39.000 0.017 0.000 1.230 248 F HN -0.139 nan 8.300 nan 0.000 0.554 249 P HA -0.045 nan 4.420 nan 0.000 0.265 249 P C 0.612 177.986 177.300 0.124 0.000 1.193 249 P CA -0.019 63.157 63.100 0.127 0.000 0.765 249 P CB 0.558 32.318 31.700 0.099 0.000 0.823 250 L N 4.683 125.957 121.223 0.085 0.000 2.081 250 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 250 L C 1.856 178.752 176.870 0.044 0.000 1.080 250 L CA 1.905 56.782 54.840 0.062 0.000 0.754 250 L CB -1.065 41.021 42.059 0.046 0.000 0.893 250 L HN 0.454 nan 8.230 nan 0.000 0.433 251 E N -0.318 119.907 120.200 0.041 0.000 2.478 251 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 251 E C 1.014 177.627 176.600 0.022 0.000 1.046 251 E CA 0.985 57.401 56.400 0.027 0.000 0.870 251 E CB -0.239 29.476 29.700 0.025 0.000 0.818 251 E HN 0.628 nan 8.360 nan 0.000 0.527 252 K N 0.378 120.798 120.400 0.034 0.000 2.438 252 K HA 0.220 4.540 4.320 -0.000 0.000 0.206 252 K C 1.829 178.397 176.600 -0.053 0.000 1.081 252 K CA -0.423 55.870 56.287 0.010 0.000 1.053 252 K CB 0.704 33.236 32.500 0.053 0.000 0.908 252 K HN -0.069 nan 8.250 nan 0.000 0.556 253 R N 2.012 122.490 120.500 -0.037 0.000 2.096 253 R HA -0.155 4.185 4.340 -0.000 0.000 0.240 253 R C 2.100 178.319 176.300 -0.136 0.000 1.139 253 R CA 2.469 58.508 56.100 -0.101 0.000 0.952 253 R CB -0.163 30.120 30.300 -0.028 0.000 0.854 253 R HN 0.212 nan 8.270 nan 0.000 0.436 254 S N -0.314 115.341 115.700 -0.076 0.000 2.453 254 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 254 S C 1.669 176.223 174.600 -0.077 0.000 1.005 254 S CA 1.183 59.344 58.200 -0.064 0.000 0.949 254 S CB 0.105 63.286 63.200 -0.032 0.000 0.774 254 S HN 0.428 nan 8.310 nan 0.000 0.510 255 E N 1.646 121.792 120.200 -0.090 0.000 2.371 255 E HA 0.112 4.462 4.350 -0.000 0.000 0.194 255 E C 0.181 176.702 176.600 -0.132 0.000 1.012 255 E CA -0.036 56.314 56.400 -0.084 0.000 0.860 255 E CB -0.367 29.299 29.700 -0.057 0.000 0.811 255 E HN 0.344 nan 8.360 nan 0.000 0.502 256 V N 1.483 121.257 119.914 -0.233 0.000 2.644 256 V HA -0.031 4.089 4.120 -0.000 0.000 0.305 256 V C 0.196 176.160 176.094 -0.217 0.000 1.053 256 V CA 0.148 62.236 62.300 -0.354 0.000 1.186 256 V CB 1.008 32.408 31.823 -0.705 0.000 0.895 256 V HN 0.023 nan 8.190 nan 0.000 0.490 257 V N 7.077 126.892 119.914 -0.166 0.000 2.435 257 V HA 0.429 4.549 4.120 -0.000 0.000 0.290 257 V C 0.080 176.113 176.094 -0.102 0.000 1.030 257 V CA -0.475 61.767 62.300 -0.096 0.000 0.881 257 V CB 1.728 33.514 31.823 -0.062 0.000 0.983 257 V HN 0.628 nan 8.190 nan 0.000 0.445 258 I N 5.970 126.493 120.570 -0.078 0.000 2.315 258 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 258 I C -0.397 175.640 176.117 -0.134 0.000 1.006 258 I CA -0.189 61.010 61.300 -0.167 0.000 1.265 258 I CB 0.976 38.824 38.000 -0.254 0.000 1.387 258 I HN 0.326 nan 8.210 nan 0.000 0.475 259 L N 7.253 128.364 121.223 -0.187 0.000 2.283 259 L HA 0.421 4.761 4.340 -0.000 0.000 0.281 259 L C -0.651 176.101 176.870 -0.197 0.000 1.033 259 L CA -0.511 54.265 54.840 -0.107 0.000 0.848 259 L CB 0.558 42.577 42.059 -0.067 0.000 1.226 259 L HN 0.426 nan 8.230 nan 0.000 0.429 260 F N 1.646 121.536 119.950 -0.099 0.000 2.456 260 F HA 0.190 4.717 4.527 0.000 0.000 0.358 260 F C 0.910 176.568 175.800 -0.237 0.000 1.095 260 F CA 0.388 58.273 58.000 -0.191 0.000 1.216 260 F CB 1.364 40.205 39.000 -0.265 0.000 1.125 260 F HN 0.314 nan 8.300 nan 0.000 0.549 261 S N 2.702 118.373 115.700 -0.048 0.000 2.502 261 S HA 0.877 5.347 4.470 -0.000 0.000 0.304 261 S C -0.804 173.775 174.600 -0.034 0.000 1.097 261 S CA -0.453 57.698 58.200 -0.082 0.000 1.045 261 S CB 0.864 64.061 63.200 -0.005 0.000 1.019 261 S HN 0.820 nan 8.310 nan 0.000 0.481 262 A N 3.468 126.256 122.820 -0.054 0.000 2.454 262 A HA 0.623 4.943 4.320 -0.000 0.000 0.302 262 A C -0.704 177.177 177.584 0.494 0.000 1.079 262 A CA -0.665 51.496 52.037 0.206 0.000 0.731 262 A CB 0.794 19.851 19.000 0.095 0.000 1.299 262 A HN 0.939 nan 8.150 nan 0.000 0.413 263 H N 1.242 120.612 119.070 0.501 0.000 2.964 263 H HA 0.208 4.764 4.556 -0.000 0.000 0.328 263 H C 0.725 176.448 175.328 0.658 0.000 1.030 263 H CA 1.463 57.786 56.048 0.458 0.000 1.445 263 H CB 1.002 30.970 29.762 0.343 0.000 1.449 263 H HN 0.683 nan 8.280 nan 0.000 0.581 264 S N 3.424 119.566 115.700 0.736 0.000 2.634 264 S HA 0.496 4.966 4.470 -0.000 0.000 0.261 264 S C -0.208 174.828 174.600 0.727 0.000 1.271 264 S CA -0.716 57.930 58.200 0.743 0.000 0.985 264 S CB 0.434 64.006 63.200 0.620 0.000 0.968 264 S HN 0.579 nan 8.310 nan 0.000 0.568 265 L N 1.819 123.259 121.223 0.362 0.000 2.409 265 L HA 0.487 4.827 4.340 -0.000 0.000 0.262 265 L C -2.538 174.078 176.870 -0.424 0.000 0.992 265 L CA -2.441 52.352 54.840 -0.078 0.000 0.817 265 L CB 2.441 44.420 42.059 -0.134 0.000 1.350 265 L HN 0.487 nan 8.230 nan 0.000 0.411 266 P HA 0.109 nan 4.420 nan 0.000 0.268 266 P C 0.518 177.540 177.300 -0.464 0.000 1.205 266 P CA -0.349 62.086 63.100 -1.108 0.000 0.771 266 P CB 0.494 31.590 31.700 -1.006 0.000 0.858 267 M N 1.701 121.127 119.600 -0.289 0.000 2.267 267 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 267 M C 1.830 178.038 176.300 -0.154 0.000 1.063 267 M CA 1.885 57.088 55.300 -0.163 0.000 1.090 267 M CB -1.871 30.678 32.600 -0.085 0.000 1.392 267 M HN 0.420 nan 8.290 nan 0.000 0.422 268 S N -0.503 115.089 115.700 -0.179 0.000 2.399 268 S HA -0.078 4.392 4.470 -0.000 0.000 0.231 268 S C 1.974 176.493 174.600 -0.134 0.000 1.022 268 S CA 1.333 59.451 58.200 -0.137 0.000 0.983 268 S CB -0.927 62.190 63.200 -0.138 0.000 0.803 268 S HN 0.293 nan 8.310 nan 0.000 0.480 269 V N 1.329 121.134 119.914 -0.181 0.000 2.346 269 V HA -0.048 4.071 4.120 -0.000 0.000 0.244 269 V C 2.652 178.682 176.094 -0.106 0.000 1.037 269 V CA 1.255 63.465 62.300 -0.150 0.000 1.029 269 V CB -0.614 31.087 31.823 -0.203 0.000 0.663 269 V HN 0.432 nan 8.190 nan 0.000 0.454 270 V N 0.864 120.705 119.914 -0.121 0.000 2.287 270 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 270 V C 2.211 178.271 176.094 -0.056 0.000 1.053 270 V CA 2.151 64.401 62.300 -0.083 0.000 1.027 270 V CB -0.866 30.890 31.823 -0.112 0.000 0.646 270 V HN 0.569 nan 8.190 nan 0.000 0.447 271 N N 0.477 119.138 118.700 -0.064 0.000 2.519 271 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 271 N C 1.828 177.319 175.510 -0.032 0.000 1.062 271 N CA 1.145 54.169 53.050 -0.044 0.000 0.910 271 N CB -0.373 38.087 38.487 -0.046 0.000 0.958 271 N HN 0.706 nan 8.380 nan 0.000 0.445 272 R N -0.613 119.866 120.500 -0.035 0.000 2.276 272 R HA 0.170 4.510 4.340 -0.000 0.000 0.196 272 R C 0.871 177.167 176.300 -0.007 0.000 0.961 272 R CA 1.119 57.206 56.100 -0.022 0.000 1.024 272 R CB 0.280 30.564 30.300 -0.027 0.000 0.940 272 R HN 0.001 nan 8.270 nan 0.000 0.480 273 G N 0.858 109.657 108.800 -0.002 0.000 2.173 273 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.142 273 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.142 273 G C -0.821 174.103 174.900 0.039 0.000 1.019 273 G CA -0.168 44.941 45.100 0.015 0.000 0.699 273 G HN 0.458 nan 8.290 nan 0.000 0.495 274 D N 0.839 121.262 120.400 0.039 0.000 2.531 274 D HA 0.357 4.997 4.640 -0.000 0.000 0.239 274 D C -0.295 176.082 176.300 0.128 0.000 1.144 274 D CA -0.520 53.530 54.000 0.083 0.000 0.869 274 D CB 1.151 41.978 40.800 0.045 0.000 1.160 274 D HN 0.137 nan 8.370 nan 0.000 0.484 275 P HA -0.091 nan 4.420 nan 0.000 0.226 275 P C 0.646 178.087 177.300 0.234 0.000 1.153 275 P CA 0.478 63.691 63.100 0.189 0.000 0.777 275 P CB 0.016 31.837 31.700 0.202 0.000 0.794 276 Y N 2.188 122.562 120.300 0.124 0.000 2.014 276 Y HA -0.216 4.334 4.550 -0.000 0.000 0.272 276 Y C -0.761 175.232 175.900 0.155 0.000 1.164 276 Y CA 2.430 60.605 58.100 0.126 0.000 1.114 276 Y CB -1.943 36.566 38.460 0.081 0.000 0.961 276 Y HN 0.059 nan 8.280 nan 0.000 0.489 277 P HA -0.248 nan 4.420 nan 0.000 0.216 277 P C 1.591 178.940 177.300 0.082 0.000 1.157 277 P CA 2.409 65.523 63.100 0.024 0.000 0.880 277 P CB -0.240 31.429 31.700 -0.051 0.000 0.791 278 Q N 0.188 120.027 119.800 0.065 0.000 2.084 278 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 278 Q C 1.939 177.960 176.000 0.036 0.000 0.978 278 Q CA 1.777 57.614 55.803 0.057 0.000 0.844 278 Q CB -0.388 28.383 28.738 0.055 0.000 0.898 278 Q HN 0.386 nan 8.270 nan 0.000 0.426 279 E N -0.511 119.709 120.200 0.035 0.000 2.072 279 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 279 E C 2.174 178.748 176.600 -0.043 0.000 0.982 279 E CA 1.085 57.498 56.400 0.022 0.000 0.803 279 E CB 0.106 29.852 29.700 0.076 0.000 0.755 279 E HN 0.144 nan 8.360 nan 0.000 0.453 280 V N 1.336 121.182 119.914 -0.114 0.000 2.343 280 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 280 V C 2.296 178.290 176.094 -0.167 0.000 1.051 280 V CA 1.865 64.055 62.300 -0.184 0.000 1.036 280 V CB -0.416 31.240 31.823 -0.279 0.000 0.654 280 V HN 0.200 nan 8.190 nan 0.000 0.451 281 S N 0.094 115.750 115.700 -0.072 0.000 2.382 281 S HA -0.183 4.287 4.470 -0.000 0.000 0.228 281 S C 2.201 176.732 174.600 -0.115 0.000 1.027 281 S CA 1.397 59.551 58.200 -0.075 0.000 0.991 281 S CB -0.468 62.751 63.200 0.031 0.000 0.823 281 S HN 0.668 nan 8.310 nan 0.000 0.469 282 A N 1.347 124.124 122.820 -0.072 0.000 1.902 282 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 282 A C 2.336 179.857 177.584 -0.105 0.000 1.181 282 A CA 2.016 54.019 52.037 -0.058 0.000 0.623 282 A CB -1.334 17.660 19.000 -0.010 0.000 0.818 282 A HN 0.478 nan 8.150 nan 0.000 0.443 283 T N -0.234 114.241 114.554 -0.132 0.000 2.708 283 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 283 T C 1.885 176.388 174.700 -0.328 0.000 1.037 283 T CA 1.580 63.587 62.100 -0.157 0.000 1.146 283 T CB -0.509 68.270 68.868 -0.148 0.000 0.865 283 T HN 0.149 nan 8.240 nan 0.000 0.435 284 V N 1.385 120.991 119.914 -0.514 0.000 2.287 284 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 284 V C 2.696 178.356 176.094 -0.724 0.000 1.053 284 V CA 1.926 63.656 62.300 -0.950 0.000 1.027 284 V CB -0.715 30.482 31.823 -1.043 0.000 0.646 284 V HN 0.359 nan 8.190 nan 0.000 0.447 285 Q N -0.013 119.542 119.800 -0.407 0.000 2.096 285 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 285 Q C 2.267 178.149 176.000 -0.196 0.000 0.982 285 Q CA 1.720 57.387 55.803 -0.227 0.000 0.850 285 Q CB -0.256 28.442 28.738 -0.067 0.000 0.901 285 Q HN 0.368 nan 8.270 nan 0.000 0.422 286 K N -0.564 119.740 120.400 -0.160 0.000 2.032 286 K HA -0.090 4.230 4.320 -0.000 0.000 0.209 286 K C 2.058 178.585 176.600 -0.122 0.000 1.048 286 K CA 1.287 57.517 56.287 -0.095 0.000 0.927 286 K CB -0.661 31.819 32.500 -0.033 0.000 0.712 286 K HN 0.170 nan 8.250 nan 0.000 0.441 287 V N 1.508 121.321 119.914 -0.169 0.000 2.295 287 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 287 V C 2.442 178.435 176.094 -0.169 0.000 1.049 287 V CA 1.458 63.691 62.300 -0.112 0.000 1.024 287 V CB -0.366 31.397 31.823 -0.099 0.000 0.648 287 V HN 0.263 nan 8.190 nan 0.000 0.447 288 M N -0.556 118.855 119.600 -0.315 0.000 2.229 288 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 288 M C 2.130 178.012 176.300 -0.696 0.000 1.063 288 M CA 1.407 56.455 55.300 -0.420 0.000 1.114 288 M CB -1.182 31.136 32.600 -0.470 0.000 1.387 288 M HN 0.476 nan 8.290 nan 0.000 0.420 289 E N -0.366 119.512 120.200 -0.537 0.000 2.072 289 E HA -0.197 4.152 4.350 -0.000 0.000 0.191 289 E C 2.168 178.614 176.600 -0.257 0.000 0.985 289 E CA 0.866 57.001 56.400 -0.441 0.000 0.801 289 E CB -0.251 29.370 29.700 -0.131 0.000 0.750 289 E HN 0.455 nan 8.360 nan 0.000 0.452 290 R N 0.905 121.305 120.500 -0.166 0.000 2.148 290 R HA -0.055 4.285 4.340 -0.000 0.000 0.227 290 R C 1.998 178.247 176.300 -0.084 0.000 1.103 290 R CA 0.665 56.716 56.100 -0.081 0.000 0.983 290 R CB 0.021 30.304 30.300 -0.029 0.000 0.874 290 R HN 0.151 nan 8.270 nan 0.000 0.451 291 L N 0.852 121.996 121.223 -0.133 0.000 2.591 291 L HA 0.092 4.432 4.340 -0.000 0.000 0.228 291 L C -0.059 176.748 176.870 -0.105 0.000 1.133 291 L CA 0.363 55.148 54.840 -0.092 0.000 0.880 291 L CB -0.070 41.946 42.059 -0.071 0.000 1.033 291 L HN 0.248 nan 8.230 nan 0.000 0.450 292 E N -0.810 119.282 120.200 -0.181 0.000 2.389 292 E HA -0.286 4.064 4.350 -0.000 0.000 0.243 292 E C -0.725 175.896 176.600 0.035 0.000 1.154 292 E CA 0.300 56.651 56.400 -0.080 0.000 0.723 292 E CB -1.864 27.849 29.700 0.022 0.000 1.261 292 E HN 0.446 nan 8.360 nan 0.000 0.390 293 Y N -3.262 117.076 120.300 0.064 0.000 3.054 293 Y HA -0.379 4.171 4.550 -0.000 0.000 0.210 293 Y C 2.085 178.025 175.900 0.066 0.000 1.212 293 Y CA 0.639 58.795 58.100 0.093 0.000 1.118 293 Y CB -2.777 35.739 38.460 0.092 0.000 1.292 293 Y HN 0.677 nan 8.280 nan 0.000 0.533 294 C N -2.732 116.630 119.300 0.105 0.000 2.435 294 C HA 0.054 4.514 4.460 -0.000 0.000 0.279 294 C C 1.042 176.069 174.990 0.061 0.000 1.321 294 C CA 0.713 59.772 59.018 0.068 0.000 1.752 294 C CB -0.763 26.991 27.740 0.023 0.000 1.959 294 C HN 0.652 nan 8.230 nan 0.000 0.500 295 N N 0.439 119.188 118.700 0.082 0.000 2.262 295 N HA 0.630 5.370 4.740 -0.000 0.000 0.295 295 N C -2.919 172.674 175.510 0.138 0.000 1.161 295 N CA -1.066 52.018 53.050 0.057 0.000 0.767 295 N CB 1.620 40.096 38.487 -0.017 0.000 1.499 295 N HN 0.182 nan 8.380 nan 0.000 0.476 296 P HA 0.190 nan 4.420 nan 0.000 0.274 296 P C -1.512 175.866 177.300 0.129 0.000 1.237 296 P CA 0.044 63.186 63.100 0.069 0.000 0.793 296 P CB 0.615 32.303 31.700 -0.019 0.000 0.977 297 Y N -1.633 118.714 120.300 0.080 0.000 2.705 297 Y HA 0.820 5.370 4.550 -0.000 0.000 0.332 297 Y C -1.076 174.883 175.900 0.098 0.000 1.221 297 Y CA -1.300 56.862 58.100 0.104 0.000 1.059 297 Y CB 1.152 39.783 38.460 0.284 0.000 1.298 297 Y HN 0.164 nan 8.280 nan 0.000 0.459 298 R N 1.336 122.026 120.500 0.317 0.000 2.604 298 R HA 0.450 4.790 4.340 -0.000 0.000 0.270 298 R C -2.280 174.202 176.300 0.303 0.000 1.052 298 R CA -0.935 55.280 56.100 0.191 0.000 0.902 298 R CB 2.313 32.637 30.300 0.040 0.000 1.233 298 R HN 0.880 nan 8.270 nan 0.000 0.455 299 L N 3.564 124.894 121.223 0.178 0.000 2.257 299 L HA 0.560 4.900 4.340 -0.000 0.000 0.290 299 L C -0.459 176.251 176.870 -0.266 0.000 1.044 299 L CA -0.439 54.364 54.840 -0.062 0.000 0.810 299 L CB 1.213 43.177 42.059 -0.158 0.000 1.193 299 L HN 0.451 nan 8.230 nan 0.000 0.425 300 V N 1.703 121.378 119.914 -0.398 0.000 3.113 300 V HA 0.766 4.886 4.120 -0.000 0.000 0.316 300 V C -1.330 174.387 176.094 -0.629 0.000 1.125 300 V CA -0.884 61.194 62.300 -0.370 0.000 1.026 300 V CB 1.681 33.453 31.823 -0.084 0.000 1.080 300 V HN 0.780 nan 8.190 nan 0.000 0.444 301 W N 0.842 122.199 121.300 0.094 0.000 2.785 301 W HA 0.782 5.442 4.660 -0.000 0.000 0.333 301 W C -0.140 176.422 176.519 0.071 0.000 1.062 301 W CA -0.402 57.017 57.345 0.124 0.000 1.233 301 W CB 1.499 31.067 29.460 0.179 0.000 1.413 301 W HN 0.916 nan 8.180 nan 0.000 0.489 302 Q N -0.046 119.903 119.800 0.249 0.000 2.486 302 Q HA 0.737 5.077 4.340 -0.000 0.000 0.274 302 Q C 0.297 176.236 176.000 -0.101 0.000 1.076 302 Q CA -0.648 55.219 55.803 0.107 0.000 0.872 302 Q CB 1.634 30.455 28.738 0.137 0.000 1.383 302 Q HN 0.490 nan 8.270 nan 0.000 0.478 303 S N -1.598 113.985 115.700 -0.194 0.000 3.228 303 S HA -0.209 4.261 4.470 -0.000 0.000 0.282 303 S C 0.068 174.330 174.600 -0.564 0.000 1.286 303 S CA 1.408 59.357 58.200 -0.418 0.000 1.066 303 S CB -1.724 60.947 63.200 -0.881 0.000 1.277 303 S HN 0.744 nan 8.310 nan 0.000 0.661 304 K N 1.814 121.821 120.400 -0.655 0.000 2.436 304 K HA 0.336 4.656 4.320 -0.000 0.000 0.275 304 K C 0.137 176.158 176.600 -0.966 0.000 0.999 304 K CA 0.477 55.915 56.287 -1.415 0.000 0.980 304 K CB 0.549 32.413 32.500 -1.060 0.000 0.919 304 K HN 0.412 nan 8.250 nan 0.000 0.484 305 V N -0.324 118.972 119.914 -1.030 0.000 3.049 305 V HA 0.860 4.980 4.120 -0.000 0.000 0.309 305 V C -0.108 175.934 176.094 -0.086 0.000 1.148 305 V CA 0.106 62.208 62.300 -0.329 0.000 0.990 305 V CB 0.896 32.662 31.823 -0.095 0.000 1.039 305 V HN 1.225 nan 8.190 nan 0.000 0.430 306 G N 3.620 112.412 108.800 -0.012 0.000 2.710 306 G HA2 0.009 3.969 3.960 -0.000 0.000 0.668 306 G HA3 0.009 3.969 3.960 -0.000 0.000 0.668 306 G C -1.711 173.234 174.900 0.076 0.000 1.320 306 G CA 0.009 45.159 45.100 0.083 0.000 0.860 306 G HN 1.084 nan 8.290 nan 0.000 0.538 307 P HA 0.220 nan 4.420 nan 0.000 0.252 307 P C 0.802 178.176 177.300 0.123 0.000 1.218 307 P CA 0.279 63.427 63.100 0.080 0.000 0.807 307 P CB 0.191 31.922 31.700 0.052 0.000 1.072 308 M N 0.962 120.677 119.600 0.191 0.000 2.198 308 M HA 0.284 4.764 4.480 -0.000 0.000 0.315 308 M C -2.299 174.178 176.300 0.295 0.000 1.134 308 M CA -2.526 52.886 55.300 0.187 0.000 1.171 308 M CB -1.174 31.505 32.600 0.132 0.000 1.413 308 M HN -0.221 nan 8.290 nan 0.000 0.467 309 P HA 0.201 nan 4.420 nan 0.000 0.281 309 P C -1.311 176.126 177.300 0.228 0.000 1.252 309 P CA -0.014 63.202 63.100 0.194 0.000 0.778 309 P CB 0.468 32.215 31.700 0.077 0.000 0.895 310 W N 2.312 123.603 121.300 -0.014 0.000 2.850 310 W HA 0.483 5.143 4.660 0.000 0.000 0.349 310 W C -0.507 175.976 176.519 -0.059 0.000 1.133 310 W CA -0.777 56.552 57.345 -0.026 0.000 1.117 310 W CB 0.497 29.961 29.460 0.006 0.000 1.442 310 W HN 0.143 nan 8.180 nan 0.000 0.575 311 L N 2.473 123.761 121.223 0.109 0.000 2.462 311 L HA 0.585 4.925 4.340 -0.000 0.000 0.272 311 L C 0.261 177.106 176.870 -0.041 0.000 1.166 311 L CA 0.725 55.489 54.840 -0.127 0.000 0.880 311 L CB -0.457 41.298 42.059 -0.507 0.000 1.142 311 L HN 0.450 nan 8.230 nan 0.000 0.473 312 G N 4.437 113.272 108.800 0.057 0.000 2.932 312 G HA2 0.661 4.621 3.960 -0.000 0.000 0.283 312 G HA3 0.661 4.621 3.960 -0.000 0.000 0.283 312 G C -2.858 172.267 174.900 0.375 0.000 1.336 312 G CA -1.347 43.894 45.100 0.235 0.000 1.056 312 G HN 0.544 nan 8.290 nan 0.000 0.522 313 P HA 0.153 nan 4.420 nan 0.000 0.269 313 P C -0.458 176.984 177.300 0.236 0.000 1.209 313 P CA 0.011 63.240 63.100 0.214 0.000 0.776 313 P CB 0.505 32.284 31.700 0.132 0.000 0.876 314 Q N 0.512 120.382 119.800 0.117 0.000 2.327 314 Q HA 0.122 4.462 4.340 -0.000 0.000 0.254 314 Q C 1.129 177.118 176.000 -0.019 0.000 0.952 314 Q CA 0.019 55.861 55.803 0.066 0.000 0.884 314 Q CB 0.366 29.094 28.738 -0.016 0.000 1.224 314 Q HN 0.428 nan 8.270 nan 0.000 0.422 315 T N 1.494 116.023 114.554 -0.042 0.000 2.746 315 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 315 T C 1.224 175.717 174.700 -0.346 0.000 1.039 315 T CA 1.757 63.783 62.100 -0.124 0.000 1.142 315 T CB -0.190 68.666 68.868 -0.020 0.000 0.866 315 T HN 0.760 nan 8.240 nan 0.000 0.444 316 D N 1.801 121.822 120.400 -0.633 0.000 2.097 316 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 316 D C 1.850 177.928 176.300 -0.369 0.000 0.984 316 D CA 1.203 54.706 54.000 -0.827 0.000 0.826 316 D CB -0.697 39.490 40.800 -1.022 0.000 0.973 316 D HN 0.416 nan 8.370 nan 0.000 0.460 317 E N 0.350 120.409 120.200 -0.234 0.000 2.110 317 E HA -0.103 4.246 4.350 -0.000 0.000 0.193 317 E C 2.210 178.748 176.600 -0.104 0.000 0.988 317 E CA 1.211 57.532 56.400 -0.131 0.000 0.804 317 E CB -0.042 29.611 29.700 -0.078 0.000 0.745 317 E HN 0.232 nan 8.360 nan 0.000 0.458 318 S N 0.825 116.463 115.700 -0.103 0.000 2.383 318 S HA -0.094 4.376 4.470 -0.000 0.000 0.227 318 S C 2.035 176.588 174.600 -0.079 0.000 1.026 318 S CA 0.665 58.824 58.200 -0.069 0.000 0.981 318 S CB -0.109 63.061 63.200 -0.050 0.000 0.818 318 S HN 0.203 nan 8.310 nan 0.000 0.472 319 I N 1.397 121.897 120.570 -0.117 0.000 2.179 319 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 319 I C 2.545 178.616 176.117 -0.077 0.000 1.088 319 I CA 1.287 62.529 61.300 -0.095 0.000 1.357 319 I CB -0.263 37.662 38.000 -0.125 0.000 1.051 319 I HN 0.239 nan 8.210 nan 0.000 0.409 320 K N 1.066 121.410 120.400 -0.094 0.000 2.057 320 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 320 K C 2.130 178.700 176.600 -0.050 0.000 1.049 320 K CA 1.586 57.832 56.287 -0.068 0.000 0.931 320 K CB -0.413 32.041 32.500 -0.077 0.000 0.714 320 K HN 0.347 nan 8.250 nan 0.000 0.440 321 G N 1.323 110.093 108.800 -0.051 0.000 2.446 321 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 321 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 321 G C 1.486 176.367 174.900 -0.031 0.000 1.168 321 G CA 0.911 45.989 45.100 -0.036 0.000 0.771 321 G HN 0.227 nan 8.290 nan 0.000 0.551 322 L N -0.014 121.189 121.223 -0.034 0.000 2.017 322 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 322 L C 3.150 180.006 176.870 -0.023 0.000 1.073 322 L CA 1.053 55.876 54.840 -0.029 0.000 0.745 322 L CB -0.551 41.489 42.059 -0.030 0.000 0.894 322 L HN 0.283 nan 8.230 nan 0.000 0.432 323 C N 0.079 119.365 119.300 -0.024 0.000 2.413 323 C HA -0.173 4.287 4.460 -0.000 0.000 0.277 323 C C 2.547 177.527 174.990 -0.016 0.000 1.228 323 C CA 0.797 59.804 59.018 -0.017 0.000 1.731 323 C CB -0.928 26.801 27.740 -0.018 0.000 2.042 323 C HN 0.520 nan 8.230 nan 0.000 0.468 324 E N 0.064 120.252 120.200 -0.020 0.000 2.333 324 E HA -0.167 4.183 4.350 -0.000 0.000 0.198 324 E C 1.710 178.301 176.600 -0.015 0.000 1.007 324 E CA 0.747 57.137 56.400 -0.017 0.000 0.845 324 E CB -0.182 29.507 29.700 -0.019 0.000 0.766 324 E HN 0.650 nan 8.360 nan 0.000 0.507 325 R N -0.621 119.869 120.500 -0.017 0.000 2.427 325 R HA 0.138 4.478 4.340 -0.000 0.000 0.262 325 R C 0.901 177.192 176.300 -0.015 0.000 0.943 325 R CA 0.409 56.499 56.100 -0.016 0.000 1.081 325 R CB 0.913 31.202 30.300 -0.018 0.000 1.166 325 R HN 0.216 nan 8.270 nan 0.000 0.534 326 G N 1.397 110.189 108.800 -0.013 0.000 2.175 326 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.244 326 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.244 326 G C -0.019 174.874 174.900 -0.012 0.000 0.982 326 G CA -0.416 44.677 45.100 -0.012 0.000 0.641 326 G HN 0.103 nan 8.290 nan 0.000 0.527 327 R N 0.755 121.246 120.500 -0.016 0.000 2.565 327 R HA 0.419 4.759 4.340 -0.000 0.000 0.286 327 R C 0.759 177.053 176.300 -0.009 0.000 1.256 327 R CA -0.396 55.693 56.100 -0.018 0.000 1.238 327 R CB 0.375 30.660 30.300 -0.026 0.000 1.153 327 R HN 0.442 nan 8.270 nan 0.000 0.553 328 K N 0.861 121.261 120.400 0.001 0.000 2.410 328 K HA 0.147 4.467 4.320 -0.000 0.000 0.200 328 K C -0.407 176.221 176.600 0.048 0.000 1.023 328 K CA 0.052 56.350 56.287 0.017 0.000 1.149 328 K CB 0.318 32.827 32.500 0.016 0.000 0.859 328 K HN 0.251 nan 8.250 nan 0.000 0.514 329 N N 1.379 120.103 118.700 0.040 0.000 2.573 329 N HA 0.329 5.069 4.740 -0.000 0.000 0.262 329 N C -1.338 174.191 175.510 0.030 0.000 1.029 329 N CA -0.288 52.818 53.050 0.092 0.000 0.882 329 N CB 1.248 39.751 38.487 0.026 0.000 1.204 329 N HN -0.015 nan 8.380 nan 0.000 0.519 330 I N 1.522 122.179 120.570 0.144 0.000 2.474 330 I HA 0.400 4.570 4.170 -0.000 0.000 0.294 330 I C -1.026 175.225 176.117 0.223 0.000 1.005 330 I CA -1.124 60.228 61.300 0.087 0.000 1.113 330 I CB 1.897 39.926 38.000 0.049 0.000 1.289 330 I HN 0.212 nan 8.210 nan 0.000 0.436 331 L N 7.536 128.811 121.223 0.086 0.000 2.318 331 L HA 0.507 4.847 4.340 -0.000 0.000 0.277 331 L C -0.941 175.910 176.870 -0.031 0.000 1.008 331 L CA -0.161 54.756 54.840 0.128 0.000 0.846 331 L CB 0.885 42.968 42.059 0.039 0.000 1.220 331 L HN 0.429 nan 8.230 nan 0.000 0.423 332 L N 5.735 126.954 121.223 -0.006 0.000 2.331 332 L HA 0.490 4.830 4.340 -0.000 0.000 0.278 332 L C -0.503 176.308 176.870 -0.098 0.000 1.106 332 L CA -0.632 54.174 54.840 -0.057 0.000 0.824 332 L CB 1.292 43.349 42.059 -0.003 0.000 1.142 332 L HN 0.332 nan 8.230 nan 0.000 0.443 333 V N 4.264 124.068 119.914 -0.182 0.000 2.357 333 V HA 0.261 4.381 4.120 -0.000 0.000 0.281 333 V C -2.312 173.732 176.094 -0.084 0.000 1.015 333 V CA -1.626 60.563 62.300 -0.185 0.000 0.827 333 V CB 1.504 33.048 31.823 -0.465 0.000 1.018 333 V HN 0.593 nan 8.190 nan 0.000 0.432 334 P HA 0.202 nan 4.420 nan 0.000 0.265 334 P C 0.352 177.667 177.300 0.026 0.000 1.222 334 P CA 0.243 63.393 63.100 0.083 0.000 0.767 334 P CB 0.820 32.621 31.700 0.169 0.000 0.801 335 I N 3.562 124.107 120.570 -0.042 0.000 4.139 335 I HA 0.241 4.411 4.170 -0.000 0.000 0.335 335 I C 1.170 177.242 176.117 -0.075 0.000 1.327 335 I CA 0.362 61.484 61.300 -0.295 0.000 1.112 335 I CB 0.159 37.994 38.000 -0.275 0.000 1.058 335 I HN 0.260 nan 8.210 nan 0.000 0.396 336 A N -0.492 122.427 122.820 0.164 0.000 2.538 336 A HA 0.436 4.756 4.320 -0.000 0.000 0.269 336 A C -0.105 177.747 177.584 0.447 0.000 1.231 336 A CA -0.158 52.060 52.037 0.301 0.000 0.948 336 A CB -0.189 19.073 19.000 0.436 0.000 1.110 336 A HN 0.205 nan 8.150 nan 0.000 0.529 337 F N -1.048 119.006 119.950 0.173 0.000 2.631 337 F HA 0.421 4.948 4.527 -0.000 0.000 0.308 337 F C 1.070 176.842 175.800 -0.047 0.000 1.097 337 F CA 0.160 58.178 58.000 0.031 0.000 0.952 337 F CB 1.888 40.899 39.000 0.018 0.000 1.307 337 F HN -0.027 nan 8.300 nan 0.000 0.450 338 T N -1.599 112.606 114.554 -0.582 0.000 3.054 338 T HA 0.358 4.708 4.350 -0.000 0.000 0.255 338 T C 0.082 174.480 174.700 -0.503 0.000 1.035 338 T CA 0.532 62.284 62.100 -0.580 0.000 0.941 338 T CB -0.330 68.112 68.868 -0.710 0.000 1.026 338 T HN 0.610 nan 8.240 nan 0.000 0.533 339 S N -0.249 115.292 115.700 -0.264 0.000 2.651 339 S HA 0.563 5.033 4.470 -0.000 0.000 0.279 339 S C -1.639 173.025 174.600 0.107 0.000 1.148 339 S CA -0.962 57.132 58.200 -0.176 0.000 0.837 339 S CB 1.597 64.764 63.200 -0.055 0.000 1.138 339 S HN 0.067 nan 8.310 nan 0.000 0.478 340 D N 1.325 121.760 120.400 0.058 0.000 2.362 340 D HA 0.502 5.142 4.640 -0.000 0.000 0.242 340 D C 0.231 176.794 176.300 0.438 0.000 1.132 340 D CA 0.625 54.788 54.000 0.273 0.000 0.907 340 D CB 0.552 41.494 40.800 0.237 0.000 1.195 340 D HN 0.857 nan 8.370 nan 0.000 0.429 341 H N -2.038 117.110 119.070 0.130 0.000 2.888 341 H HA 0.159 4.715 4.556 -0.000 0.000 0.267 341 H C 0.720 176.058 175.328 0.017 0.000 1.482 341 H CA -0.862 55.231 56.048 0.075 0.000 1.165 341 H CB 0.211 29.932 29.762 -0.067 0.000 1.866 341 H HN 0.191 nan 8.280 nan 0.000 0.599 342 I N 1.115 121.638 120.570 -0.078 0.000 2.236 342 I HA -0.248 3.922 4.170 -0.000 0.000 0.249 342 I C 1.983 177.917 176.117 -0.304 0.000 1.102 342 I CA 1.783 62.937 61.300 -0.243 0.000 1.365 342 I CB -0.620 37.179 38.000 -0.336 0.000 1.051 342 I HN 0.691 nan 8.210 nan 0.000 0.420 343 E N -0.693 119.136 120.200 -0.618 0.000 2.085 343 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 343 E C 2.085 178.513 176.600 -0.288 0.000 0.994 343 E CA 2.079 58.182 56.400 -0.495 0.000 0.801 343 E CB -0.232 29.070 29.700 -0.663 0.000 0.743 343 E HN 0.740 nan 8.360 nan 0.000 0.453 344 T N -0.992 113.441 114.554 -0.201 0.000 2.925 344 T HA 0.035 4.385 4.350 -0.000 0.000 0.245 344 T C 2.061 176.731 174.700 -0.051 0.000 1.025 344 T CA 0.143 62.214 62.100 -0.047 0.000 1.149 344 T CB -0.478 68.445 68.868 0.090 0.000 0.866 344 T HN 0.018 nan 8.240 nan 0.000 0.437 345 L N -0.957 120.261 121.223 -0.008 0.000 2.141 345 L HA 0.086 4.426 4.340 -0.000 0.000 0.209 345 L C 2.533 179.395 176.870 -0.014 0.000 1.094 345 L CA 1.459 56.306 54.840 0.011 0.000 0.763 345 L CB -0.480 41.621 42.059 0.069 0.000 0.908 345 L HN 0.285 nan 8.230 nan 0.000 0.437 346 Y N 0.091 120.278 120.300 -0.188 0.000 2.439 346 Y HA -0.036 4.514 4.550 -0.000 0.000 0.281 346 Y C 2.585 178.307 175.900 -0.296 0.000 1.145 346 Y CA 0.996 58.959 58.100 -0.230 0.000 1.252 346 Y CB -0.059 38.229 38.460 -0.286 0.000 1.271 346 Y HN 0.031 nan 8.280 nan 0.000 0.516 347 E N 0.402 120.336 120.200 -0.443 0.000 2.023 347 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 347 E C 2.054 178.123 176.600 -0.884 0.000 1.003 347 E CA 2.136 58.086 56.400 -0.751 0.000 0.809 347 E CB -0.379 29.000 29.700 -0.536 0.000 0.755 347 E HN 0.550 nan 8.360 nan 0.000 0.449 348 L N 0.606 121.544 121.223 -0.475 0.000 2.023 348 L HA -0.152 4.187 4.340 -0.000 0.000 0.205 348 L C 2.339 179.103 176.870 -0.176 0.000 1.073 348 L CA 1.197 55.892 54.840 -0.240 0.000 0.745 348 L CB -0.453 41.561 42.059 -0.075 0.000 0.900 348 L HN 0.171 nan 8.230 nan 0.000 0.435 349 D N 0.061 120.359 120.400 -0.170 0.000 2.117 349 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 349 D C 2.189 178.391 176.300 -0.162 0.000 0.982 349 D CA 1.294 55.220 54.000 -0.123 0.000 0.828 349 D CB 0.146 40.898 40.800 -0.081 0.000 0.967 349 D HN 0.297 nan 8.370 nan 0.000 0.464 350 I N 0.777 121.179 120.570 -0.279 0.000 2.731 350 I HA -0.111 4.059 4.170 -0.000 0.000 0.235 350 I C 2.475 178.391 176.117 -0.336 0.000 1.064 350 I CA 0.397 61.515 61.300 -0.303 0.000 1.439 350 I CB -0.315 37.465 38.000 -0.366 0.000 1.255 350 I HN -0.049 nan 8.210 nan 0.000 0.446 351 E N 0.880 120.739 120.200 -0.568 0.000 2.077 351 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 351 E C 2.013 178.579 176.600 -0.056 0.000 0.989 351 E CA 1.568 57.748 56.400 -0.367 0.000 0.800 351 E CB -0.396 29.006 29.700 -0.496 0.000 0.746 351 E HN 0.444 nan 8.360 nan 0.000 0.452 352 Y N 1.383 121.566 120.300 -0.195 0.000 2.262 352 Y HA 0.157 4.707 4.550 -0.000 0.000 0.295 352 Y C 2.696 178.536 175.900 -0.101 0.000 1.121 352 Y CA 0.261 58.283 58.100 -0.129 0.000 1.144 352 Y CB -0.568 37.824 38.460 -0.114 0.000 1.043 352 Y HN 0.018 nan 8.280 nan 0.000 0.528 353 S N -0.295 115.438 115.700 0.055 0.000 2.414 353 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 353 S C 1.814 176.403 174.600 -0.019 0.000 1.022 353 S CA 1.031 59.236 58.200 0.008 0.000 0.958 353 S CB -0.109 63.081 63.200 -0.017 0.000 0.797 353 S HN 0.496 nan 8.310 nan 0.000 0.493 354 Q N -0.149 119.625 119.800 -0.043 0.000 2.226 354 Q HA 0.125 4.465 4.340 -0.000 0.000 0.199 354 Q C 2.008 177.987 176.000 -0.034 0.000 0.945 354 Q CA 0.723 56.500 55.803 -0.044 0.000 0.861 354 Q CB 0.060 28.762 28.738 -0.060 0.000 0.953 354 Q HN 0.316 nan 8.270 nan 0.000 0.490 355 V N 0.647 120.540 119.914 -0.035 0.000 2.423 355 V HA -0.148 3.972 4.120 -0.000 0.000 0.233 355 V C 2.019 178.108 176.094 -0.008 0.000 1.067 355 V CA 0.858 63.145 62.300 -0.023 0.000 1.073 355 V CB -0.650 31.155 31.823 -0.030 0.000 0.715 355 V HN 0.231 nan 8.190 nan 0.000 0.485 356 L N 1.423 122.652 121.223 0.010 0.000 1.963 356 L HA -0.192 4.148 4.340 -0.000 0.000 0.220 356 L C 2.442 179.306 176.870 -0.010 0.000 1.076 356 L CA 2.806 57.647 54.840 0.003 0.000 0.772 356 L CB -1.122 40.943 42.059 0.010 0.000 0.892 356 L HN 0.282 nan 8.230 nan 0.000 0.435 357 A N -1.012 121.807 122.820 -0.002 0.000 1.986 357 A HA -0.294 4.026 4.320 -0.000 0.000 0.220 357 A C 2.331 179.910 177.584 -0.009 0.000 1.171 357 A CA 2.167 54.200 52.037 -0.007 0.000 0.640 357 A CB -0.667 18.334 19.000 0.001 0.000 0.811 357 A HN 0.523 nan 8.150 nan 0.000 0.451 358 K N 0.800 121.194 120.400 -0.011 0.000 2.001 358 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 358 K C 1.810 178.403 176.600 -0.011 0.000 1.048 358 K CA 1.943 58.223 56.287 -0.012 0.000 0.932 358 K CB -0.355 32.136 32.500 -0.015 0.000 0.715 358 K HN 0.597 nan 8.250 nan 0.000 0.437 359 E N -0.944 119.249 120.200 -0.012 0.000 2.418 359 E HA -0.105 4.245 4.350 -0.000 0.000 0.197 359 E C 1.651 178.243 176.600 -0.013 0.000 1.026 359 E CA 0.960 57.353 56.400 -0.012 0.000 0.862 359 E CB -0.712 28.981 29.700 -0.012 0.000 0.799 359 E HN 0.282 nan 8.360 nan 0.000 0.518 360 C N 0.037 119.328 119.300 -0.015 0.000 2.912 360 C HA 0.549 5.009 4.460 -0.000 0.000 0.274 360 C C 1.511 176.494 174.990 -0.012 0.000 1.248 360 C CA 0.667 59.675 59.018 -0.017 0.000 1.694 360 C CB -1.366 26.360 27.740 -0.023 0.000 2.024 360 C HN 0.714 nan 8.230 nan 0.000 0.605 361 G N 1.637 110.432 108.800 -0.009 0.000 2.248 361 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.252 361 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.252 361 G C -0.034 174.865 174.900 -0.001 0.000 1.085 361 G CA 0.384 45.480 45.100 -0.005 0.000 0.845 361 G HN 1.414 nan 8.290 nan 0.000 0.494 362 V N -2.969 116.946 119.914 0.001 0.000 3.185 362 V HA 0.647 4.767 4.120 -0.000 0.000 0.305 362 V C 1.171 177.274 176.094 0.016 0.000 1.090 362 V CA 0.755 63.061 62.300 0.011 0.000 1.107 362 V CB 1.333 33.165 31.823 0.016 0.000 1.061 362 V HN 0.387 nan 8.190 nan 0.000 0.480 363 E N 1.768 121.987 120.200 0.032 0.000 2.132 363 E HA 0.192 4.542 4.350 -0.000 0.000 0.193 363 E C -0.267 176.362 176.600 0.047 0.000 0.951 363 E CA 0.685 57.107 56.400 0.036 0.000 0.843 363 E CB 0.280 30.008 29.700 0.045 0.000 0.807 363 E HN 0.887 nan 8.360 nan 0.000 0.467 364 N N 0.349 119.104 118.700 0.090 0.000 2.478 364 N HA 0.374 5.114 4.740 -0.000 0.000 0.291 364 N C -1.636 173.970 175.510 0.161 0.000 1.090 364 N CA -0.223 52.883 53.050 0.093 0.000 0.911 364 N CB 2.695 41.291 38.487 0.181 0.000 1.546 364 N HN -0.021 nan 8.380 nan 0.000 0.500 365 I N 1.736 122.324 120.570 0.030 0.000 2.478 365 I HA 0.535 4.705 4.170 -0.000 0.000 0.287 365 I C -1.228 174.860 176.117 -0.049 0.000 1.042 365 I CA -0.426 60.913 61.300 0.064 0.000 1.067 365 I CB 0.775 38.800 38.000 0.042 0.000 1.233 365 I HN 0.444 nan 8.210 nan 0.000 0.431 366 R N 5.669 126.159 120.500 -0.017 0.000 2.867 366 R HA 0.614 4.954 4.340 -0.000 0.000 0.268 366 R C -1.125 175.185 176.300 0.017 0.000 1.014 366 R CA -1.096 54.947 56.100 -0.095 0.000 0.946 366 R CB 2.416 32.523 30.300 -0.322 0.000 1.208 366 R HN 0.521 nan 8.270 nan 0.000 0.477 367 R N 0.725 121.224 120.500 -0.002 0.000 2.480 367 R HA 0.511 4.851 4.340 -0.000 0.000 0.306 367 R C -0.917 175.397 176.300 0.025 0.000 0.958 367 R CA -0.410 55.699 56.100 0.015 0.000 0.861 367 R CB 1.802 32.106 30.300 0.007 0.000 1.171 367 R HN 0.796 nan 8.270 nan 0.000 0.445 368 A N 3.235 126.075 122.820 0.033 0.000 2.498 368 A HA 0.031 4.351 4.320 -0.000 0.000 0.239 368 A C 0.020 177.640 177.584 0.060 0.000 1.068 368 A CA -0.077 51.992 52.037 0.052 0.000 0.766 368 A CB 0.228 19.273 19.000 0.075 0.000 1.003 368 A HN 0.884 nan 8.150 nan 0.000 0.497 369 E N 1.996 122.208 120.200 0.020 0.000 2.414 369 E HA 0.186 4.536 4.350 -0.000 0.000 0.263 369 E C -0.133 176.548 176.600 0.134 0.000 1.000 369 E CA -0.145 56.246 56.400 -0.015 0.000 0.914 369 E CB 0.411 29.977 29.700 -0.223 0.000 0.948 369 E HN 0.643 nan 8.360 nan 0.000 0.444 370 S N 3.861 119.578 115.700 0.028 0.000 2.584 370 S HA 0.038 4.508 4.470 -0.000 0.000 0.270 370 S C 1.540 176.076 174.600 -0.106 0.000 1.346 370 S CA -0.588 57.597 58.200 -0.024 0.000 1.018 370 S CB 0.608 63.748 63.200 -0.100 0.000 0.899 370 S HN 0.525 nan 8.310 nan 0.000 0.542 371 L N 1.610 122.639 121.223 -0.324 0.000 2.042 371 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 371 L C 1.506 178.112 176.870 -0.440 0.000 1.076 371 L CA 0.865 55.389 54.840 -0.526 0.000 0.749 371 L CB -1.037 40.353 42.059 -1.114 0.000 0.893 371 L HN 0.646 nan 8.230 nan 0.000 0.432 372 N N 0.096 118.417 118.700 -0.631 0.000 1.238 372 N HA -0.285 4.455 4.740 -0.000 0.000 0.139 372 N C 1.175 176.476 175.510 -0.348 0.000 0.512 372 N CA 2.256 54.743 53.050 -0.938 0.000 1.011 372 N CB -1.492 35.817 38.487 -1.963 0.000 1.386 372 N HN 0.404 nan 8.380 nan 0.000 0.471 373 G N 0.913 109.550 108.800 -0.271 0.000 3.233 373 G HA2 0.036 3.996 3.960 -0.000 0.000 0.227 373 G HA3 0.036 3.996 3.960 -0.000 0.000 0.227 373 G C 0.355 175.320 174.900 0.109 0.000 1.175 373 G CA 0.104 45.303 45.100 0.165 0.000 0.781 373 G HN 0.644 nan 8.290 nan 0.000 0.542 374 N N 0.991 119.727 118.700 0.061 0.000 2.411 374 N HA 0.075 4.815 4.740 -0.000 0.000 0.265 374 N C -1.247 174.322 175.510 0.100 0.000 1.266 374 N CA -1.064 52.044 53.050 0.095 0.000 0.889 374 N CB 1.477 40.018 38.487 0.089 0.000 1.069 374 N HN -0.104 nan 8.380 nan 0.000 0.476 375 P HA -0.161 nan 4.420 nan 0.000 0.218 375 P C 1.222 178.537 177.300 0.025 0.000 1.148 375 P CA 0.546 63.671 63.100 0.043 0.000 0.822 375 P CB 0.187 31.908 31.700 0.035 0.000 0.784 376 L N -1.807 119.440 121.223 0.040 0.000 2.201 376 L HA -0.040 4.300 4.340 -0.000 0.000 0.212 376 L C 2.068 178.956 176.870 0.030 0.000 1.105 376 L CA 1.461 56.315 54.840 0.023 0.000 0.775 376 L CB -1.156 40.917 42.059 0.024 0.000 0.913 376 L HN -0.104 nan 8.230 nan 0.000 0.440 377 F N -1.081 118.797 119.950 -0.119 0.000 2.206 377 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 377 F C 2.377 178.093 175.800 -0.140 0.000 1.090 377 F CA 1.248 59.156 58.000 -0.154 0.000 1.323 377 F CB 0.034 38.920 39.000 -0.189 0.000 1.028 377 F HN 0.023 nan 8.300 nan 0.000 0.492 378 S N 0.369 115.945 115.700 -0.207 0.000 2.382 378 S HA -0.234 4.236 4.470 -0.000 0.000 0.228 378 S C 1.931 176.366 174.600 -0.275 0.000 1.027 378 S CA 1.405 59.434 58.200 -0.286 0.000 0.991 378 S CB -0.339 62.782 63.200 -0.133 0.000 0.823 378 S HN 0.362 nan 8.310 nan 0.000 0.469 379 K N 1.250 121.541 120.400 -0.182 0.000 2.097 379 K HA -0.026 4.294 4.320 -0.000 0.000 0.205 379 K C 2.209 178.694 176.600 -0.192 0.000 1.050 379 K CA 1.062 57.264 56.287 -0.142 0.000 0.938 379 K CB -0.299 32.161 32.500 -0.068 0.000 0.718 379 K HN 0.296 nan 8.250 nan 0.000 0.442 380 A N 1.444 124.106 122.820 -0.262 0.000 1.877 380 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 380 A C 2.107 179.339 177.584 -0.586 0.000 1.186 380 A CA 1.314 53.129 52.037 -0.370 0.000 0.620 380 A CB -0.675 18.148 19.000 -0.296 0.000 0.822 380 A HN 0.301 nan 8.150 nan 0.000 0.443 381 L N -0.775 120.066 121.223 -0.637 0.000 2.012 381 L HA -0.243 4.096 4.340 -0.000 0.000 0.210 381 L C 3.133 179.831 176.870 -0.288 0.000 1.073 381 L CA 1.309 55.859 54.840 -0.482 0.000 0.748 381 L CB -0.675 41.073 42.059 -0.517 0.000 0.891 381 L HN 0.456 nan 8.230 nan 0.000 0.431 382 A N -0.168 122.498 122.820 -0.257 0.000 1.933 382 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 382 A C 1.952 179.448 177.584 -0.147 0.000 1.175 382 A CA 2.150 54.072 52.037 -0.192 0.000 0.628 382 A CB -0.662 18.230 19.000 -0.179 0.000 0.814 382 A HN 0.473 nan 8.150 nan 0.000 0.444 383 D N -0.390 119.929 120.400 -0.135 0.000 2.117 383 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 383 D C 1.829 178.104 176.300 -0.041 0.000 0.987 383 D CA 1.166 55.167 54.000 0.001 0.000 0.829 383 D CB -0.178 40.687 40.800 0.109 0.000 0.961 383 D HN 0.406 nan 8.370 nan 0.000 0.460 384 L N -0.396 120.657 121.223 -0.284 0.000 1.994 384 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 384 L C 2.580 179.230 176.870 -0.367 0.000 1.071 384 L CA 0.788 55.396 54.840 -0.387 0.000 0.745 384 L CB -0.363 41.243 42.059 -0.755 0.000 0.892 384 L HN 0.050 nan 8.230 nan 0.000 0.431 385 V N -0.891 118.760 119.914 -0.437 0.000 2.295 385 V HA -0.340 3.780 4.120 -0.000 0.000 0.246 385 V C 2.457 178.524 176.094 -0.045 0.000 1.049 385 V CA 2.139 64.256 62.300 -0.305 0.000 1.024 385 V CB -0.794 30.880 31.823 -0.249 0.000 0.648 385 V HN 0.516 nan 8.190 nan 0.000 0.447 386 H N 0.869 119.861 119.070 -0.129 0.000 2.319 386 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 386 H C 2.422 177.731 175.328 -0.031 0.000 1.092 386 H CA 2.090 58.097 56.048 -0.068 0.000 1.302 386 H CB -0.343 29.375 29.762 -0.072 0.000 1.373 386 H HN 0.366 nan 8.280 nan 0.000 0.497 387 S N -0.892 114.739 115.700 -0.114 0.000 2.382 387 S HA -0.190 4.280 4.470 -0.000 0.000 0.228 387 S C 1.948 176.496 174.600 -0.087 0.000 1.027 387 S CA 1.314 59.427 58.200 -0.145 0.000 0.991 387 S CB -0.461 62.728 63.200 -0.018 0.000 0.823 387 S HN 0.681 nan 8.310 nan 0.000 0.469 388 H N 1.593 120.576 119.070 -0.146 0.000 2.321 388 H HA 0.057 4.613 4.556 -0.000 0.000 0.300 388 H C 1.808 177.081 175.328 -0.092 0.000 1.087 388 H CA 1.688 57.663 56.048 -0.122 0.000 1.319 388 H CB -0.398 29.258 29.762 -0.178 0.000 1.379 388 H HN 0.346 nan 8.280 nan 0.000 0.501 389 I N 0.240 120.739 120.570 -0.118 0.000 2.179 389 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 389 I C 2.400 178.422 176.117 -0.158 0.000 1.088 389 I CA 1.563 62.782 61.300 -0.136 0.000 1.357 389 I CB -0.383 37.623 38.000 0.009 0.000 1.051 389 I HN 0.423 nan 8.210 nan 0.000 0.409 390 Q N 0.289 119.977 119.800 -0.187 0.000 2.170 390 Q HA -0.170 4.170 4.340 -0.000 0.000 0.203 390 Q C 2.308 178.225 176.000 -0.138 0.000 0.976 390 Q CA 1.904 57.600 55.803 -0.177 0.000 0.858 390 Q CB -0.172 28.405 28.738 -0.268 0.000 0.907 390 Q HN 0.595 nan 8.270 nan 0.000 0.433 391 S N 0.010 115.623 115.700 -0.145 0.000 2.527 391 S HA -0.048 4.422 4.470 -0.000 0.000 0.222 391 S C 0.798 175.326 174.600 -0.119 0.000 0.985 391 S CA 0.281 58.415 58.200 -0.110 0.000 0.921 391 S CB 0.101 63.252 63.200 -0.080 0.000 0.772 391 S HN 0.330 nan 8.310 nan 0.000 0.529 392 N N 1.046 119.643 118.700 -0.172 0.000 2.778 392 N HA -0.148 4.592 4.740 -0.000 0.000 0.249 392 N C -0.746 174.673 175.510 -0.152 0.000 1.069 392 N CA 1.064 54.020 53.050 -0.158 0.000 0.831 392 N CB -1.434 36.999 38.487 -0.090 0.000 1.142 392 N HN 0.718 nan 8.380 nan 0.000 0.573 393 E N 0.249 120.339 120.200 -0.184 0.000 2.392 393 E HA 0.078 4.427 4.350 -0.000 0.000 0.264 393 E C 1.364 177.945 176.600 -0.032 0.000 1.024 393 E CA -0.042 56.314 56.400 -0.073 0.000 0.903 393 E CB 0.661 30.369 29.700 0.012 0.000 0.963 393 E HN 0.230 nan 8.360 nan 0.000 0.432 394 L N 1.871 123.147 121.223 0.087 0.000 2.416 394 L HA 0.140 4.480 4.340 -0.000 0.000 0.216 394 L C 0.704 177.731 176.870 0.262 0.000 1.098 394 L CA 0.094 55.048 54.840 0.191 0.000 0.840 394 L CB 0.119 42.275 42.059 0.161 0.000 0.981 394 L HN 0.673 nan 8.230 nan 0.000 0.462 395 C N -4.077 115.334 119.300 0.186 0.000 3.216 395 C HA 0.464 4.924 4.460 -0.000 0.000 0.346 395 C C 0.240 175.283 174.990 0.090 0.000 1.384 395 C CA -1.132 57.957 59.018 0.118 0.000 1.208 395 C CB 0.817 28.600 27.740 0.073 0.000 1.483 395 C HN 0.223 nan 8.230 nan 0.000 0.453 396 S N 0.636 116.369 115.700 0.054 0.000 2.600 396 S HA 0.342 4.812 4.470 -0.000 0.000 0.265 396 S C 0.829 175.441 174.600 0.021 0.000 1.325 396 S CA 0.540 58.768 58.200 0.046 0.000 1.002 396 S CB 1.059 64.281 63.200 0.036 0.000 0.921 396 S HN 1.171 nan 8.310 nan 0.000 0.554 397 K N 0.462 120.874 120.400 0.020 0.000 2.148 397 K HA -0.034 4.285 4.320 -0.000 0.000 0.204 397 K C 2.145 178.736 176.600 -0.015 0.000 1.050 397 K CA 1.393 57.686 56.287 0.009 0.000 0.942 397 K CB -0.433 32.075 32.500 0.014 0.000 0.724 397 K HN 0.590 nan 8.250 nan 0.000 0.446 398 Q N 0.125 119.906 119.800 -0.032 0.000 2.135 398 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 398 Q C 1.924 177.840 176.000 -0.139 0.000 0.981 398 Q CA 1.067 56.823 55.803 -0.077 0.000 0.856 398 Q CB -0.371 28.312 28.738 -0.091 0.000 0.902 398 Q HN 0.296 nan 8.270 nan 0.000 0.425 399 L N 1.073 122.209 121.223 -0.146 0.000 2.275 399 L HA -0.104 4.236 4.340 -0.000 0.000 0.215 399 L C 2.009 178.840 176.870 -0.064 0.000 1.119 399 L CA 1.873 56.615 54.840 -0.164 0.000 0.790 399 L CB -0.610 41.386 42.059 -0.105 0.000 0.919 399 L HN 0.290 nan 8.230 nan 0.000 0.443 400 T N -3.133 111.402 114.554 -0.031 0.000 3.160 400 T HA 0.057 4.407 4.350 -0.000 0.000 0.257 400 T C 0.387 175.081 174.700 -0.011 0.000 1.147 400 T CA -0.031 62.067 62.100 -0.003 0.000 1.064 400 T CB -0.337 68.536 68.868 0.009 0.000 0.949 400 T HN 0.064 nan 8.240 nan 0.000 0.526 401 L N 1.568 122.773 121.223 -0.031 0.000 2.377 401 L HA 0.623 4.963 4.340 -0.000 0.000 0.270 401 L C -0.538 176.315 176.870 -0.027 0.000 0.991 401 L CA -0.635 54.191 54.840 -0.023 0.000 0.851 401 L CB 1.765 43.810 42.059 -0.022 0.000 1.218 401 L HN 0.020 nan 8.230 nan 0.000 0.420 402 S N 2.412 118.108 115.700 -0.007 0.000 2.614 402 S HA 0.337 4.807 4.470 -0.000 0.000 0.265 402 S C -0.017 174.591 174.600 0.012 0.000 1.303 402 S CA -0.562 57.643 58.200 0.007 0.000 1.000 402 S CB 0.594 63.803 63.200 0.015 0.000 0.935 402 S HN 0.797 nan 8.310 nan 0.000 0.551 403 C N 3.175 122.491 119.300 0.027 0.000 2.563 403 C HA 0.073 4.533 4.460 -0.000 0.000 0.411 403 C C -0.709 174.288 174.990 0.013 0.000 1.386 403 C CA -0.770 58.263 59.018 0.024 0.000 1.703 403 C CB -0.696 27.061 27.740 0.029 0.000 2.596 403 C HN 0.713 nan 8.230 nan 0.000 0.605 404 P HA -0.082 nan 4.420 nan 0.000 0.217 404 P C 0.648 177.950 177.300 0.003 0.000 1.148 404 P CA 1.414 64.517 63.100 0.005 0.000 0.828 404 P CB 0.081 31.783 31.700 0.004 0.000 0.783 405 L N -2.038 119.186 121.223 0.002 0.000 3.017 405 L HA 0.209 4.549 4.340 -0.000 0.000 0.255 405 L C 0.416 177.284 176.870 -0.002 0.000 1.247 405 L CA -0.734 54.105 54.840 -0.002 0.000 1.038 405 L CB -0.088 41.967 42.059 -0.007 0.000 1.380 405 L HN -0.042 nan 8.230 nan 0.000 0.548 406 C N 1.172 120.475 119.300 0.004 0.000 2.634 406 C HA 0.159 4.619 4.460 -0.000 0.000 0.418 406 C C 1.830 176.822 174.990 0.003 0.000 1.373 406 C CA 0.020 59.042 59.018 0.007 0.000 1.756 406 C CB 0.220 27.969 27.740 0.014 0.000 2.589 406 C HN 0.465 nan 8.230 nan 0.000 0.602 407 V N 3.410 123.325 119.914 0.001 0.000 3.346 407 V HA 0.323 4.443 4.120 -0.000 0.000 0.309 407 V C 0.535 176.632 176.094 0.004 0.000 1.457 407 V CA 0.083 62.383 62.300 0.001 0.000 1.069 407 V CB -0.824 30.996 31.823 -0.004 0.000 0.944 407 V HN 0.852 nan 8.190 nan 0.000 0.449 408 N N 2.328 121.033 118.700 0.008 0.000 2.439 408 N HA 0.406 5.146 4.740 -0.000 0.000 0.249 408 N C -1.739 173.780 175.510 0.014 0.000 1.003 408 N CA -1.793 51.265 53.050 0.013 0.000 0.942 408 N CB 2.028 40.525 38.487 0.017 0.000 1.115 408 N HN 0.083 nan 8.380 nan 0.000 0.505 409 P HA -0.147 nan 4.420 nan 0.000 0.218 409 P C 1.442 178.743 177.300 0.002 0.000 1.148 409 P CA 0.533 63.640 63.100 0.012 0.000 0.822 409 P CB 0.510 32.223 31.700 0.022 0.000 0.784 410 V N -0.924 119.000 119.914 0.017 0.000 2.427 410 V HA -0.260 3.859 4.120 -0.000 0.000 0.248 410 V C 2.109 178.166 176.094 -0.062 0.000 1.051 410 V CA 1.850 64.150 62.300 -0.000 0.000 1.048 410 V CB -1.163 30.707 31.823 0.079 0.000 0.666 410 V HN 0.201 nan 8.190 nan 0.000 0.456 411 C N -0.069 119.225 119.300 -0.009 0.000 2.376 411 C HA -0.243 4.217 4.460 -0.000 0.000 0.275 411 C C 2.804 177.782 174.990 -0.021 0.000 1.200 411 C CA 2.014 61.037 59.018 0.010 0.000 1.756 411 C CB -1.414 26.345 27.740 0.031 0.000 2.050 411 C HN 0.643 nan 8.230 nan 0.000 0.460 412 R N 0.465 120.943 120.500 -0.038 0.000 2.092 412 R HA -0.109 4.231 4.340 -0.000 0.000 0.231 412 R C 2.149 178.387 176.300 -0.104 0.000 1.119 412 R CA 1.282 57.356 56.100 -0.043 0.000 0.970 412 R CB -0.153 30.129 30.300 -0.029 0.000 0.864 412 R HN 0.529 nan 8.270 nan 0.000 0.440 413 E N -0.246 119.823 120.200 -0.219 0.000 2.072 413 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 413 E C 1.944 178.187 176.600 -0.595 0.000 0.985 413 E CA 1.620 57.742 56.400 -0.462 0.000 0.801 413 E CB -0.409 28.854 29.700 -0.727 0.000 0.750 413 E HN 0.328 nan 8.360 nan 0.000 0.452 414 T N 2.068 116.337 114.554 -0.475 0.000 2.708 414 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 414 T C 1.924 176.728 174.700 0.172 0.000 1.037 414 T CA 2.057 64.068 62.100 -0.149 0.000 1.146 414 T CB -0.153 68.737 68.868 0.038 0.000 0.865 414 T HN 0.335 nan 8.240 nan 0.000 0.435 415 K N 1.181 121.654 120.400 0.122 0.000 2.057 415 K HA -0.021 4.299 4.320 -0.000 0.000 0.207 415 K C 2.405 179.110 176.600 0.176 0.000 1.049 415 K CA 1.732 58.132 56.287 0.188 0.000 0.931 415 K CB -0.403 32.152 32.500 0.091 0.000 0.714 415 K HN 0.077 nan 8.250 nan 0.000 0.440 416 S N 0.530 116.274 115.700 0.073 0.000 2.382 416 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 416 S C 1.458 176.093 174.600 0.059 0.000 1.027 416 S CA 1.143 59.372 58.200 0.048 0.000 0.991 416 S CB -0.504 62.698 63.200 0.002 0.000 0.823 416 S HN 0.436 nan 8.310 nan 0.000 0.469 417 F N 1.426 121.319 119.950 -0.095 0.000 2.120 417 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 417 F C 1.591 177.237 175.800 -0.256 0.000 1.095 417 F CA 1.500 59.391 58.000 -0.181 0.000 1.249 417 F CB -0.363 38.489 39.000 -0.247 0.000 0.995 417 F HN 0.179 nan 8.300 nan 0.000 0.480 418 F N -0.043 119.985 119.950 0.129 0.000 2.219 418 F HA -0.073 4.453 4.527 -0.000 0.000 0.294 418 F C 2.768 178.577 175.800 0.014 0.000 1.086 418 F CA 1.459 59.500 58.000 0.068 0.000 1.330 418 F CB -1.172 37.941 39.000 0.189 0.000 1.047 418 F HN -0.010 nan 8.300 nan 0.000 0.495 419 T N -3.450 111.219 114.554 0.191 0.000 2.962 419 T HA -0.103 4.247 4.350 -0.000 0.000 0.270 419 T C 1.710 176.428 174.700 0.031 0.000 1.088 419 T CA 1.478 63.641 62.100 0.104 0.000 1.127 419 T CB -0.514 68.402 68.868 0.080 0.000 0.883 419 T HN 0.090 nan 8.240 nan 0.000 0.493 420 S N 0.810 116.497 115.700 -0.021 0.000 2.575 420 S HA 0.165 4.635 4.470 -0.000 0.000 0.215 420 S C 0.665 175.202 174.600 -0.105 0.000 0.966 420 S CA -0.345 57.819 58.200 -0.060 0.000 0.911 420 S CB -0.107 63.053 63.200 -0.067 0.000 0.780 420 S HN 0.487 nan 8.310 nan 0.000 0.514 421 Q N 2.196 121.914 119.800 -0.136 0.000 2.304 421 Q HA -0.003 4.337 4.340 -0.000 0.000 0.301 421 Q C 0.293 176.249 176.000 -0.074 0.000 1.063 421 Q CA 0.387 56.101 55.803 -0.148 0.000 0.947 421 Q CB 0.188 28.868 28.738 -0.095 0.000 1.201 421 Q HN 0.507 nan 8.270 nan 0.000 0.389 422 Q N 2.468 122.222 119.800 -0.077 0.000 2.330 422 Q HA 0.185 4.525 4.340 -0.000 0.000 0.279 422 Q C -0.670 175.310 176.000 -0.033 0.000 1.024 422 Q CA -0.228 55.545 55.803 -0.049 0.000 0.900 422 Q CB 0.376 29.085 28.738 -0.049 0.000 1.221 422 Q HN 0.414 nan 8.270 nan 0.000 0.396 423 L N 0.000 121.207 121.223 -0.027 0.000 2.949 423 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 423 L CA 0.000 54.825 54.840 -0.025 0.000 0.813 423 L CB 0.000 42.043 42.059 -0.027 0.000 0.961 423 L HN 0.000 nan 8.230 nan 0.000 0.502