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 2vze_1_A DATA FIRST_RESID 37 DATA SEQUENCE HQEVPAKFNF ASDVLDHWAD MEKAGKRPPS PALWWVNGKG KELMWNFREL DATA SEQUENCE SENSQQAANV LSGACGLQRG DRVAVVLPRV PEWWLVILGC IRAGLIFMPG DATA SEQUENCE TIQMKSTDIL YRLQMSKAKA IVAGDEVIQE VDTVASECPS LRIKLLVSEK DATA SEQUENCE SCDGWLNFKK LLNEASTTHH CVETGSQEAS AIYFTSGTSG LPKMAEHSYS DATA SEQUENCE SLGLKAKMDA GWTGLQASDI MWTISDTGWI LNILCSLMEP WALGACTFVH DATA SEQUENCE LLPKFDPLVI LKTLSSYPIK SMMGAPIVYR MLLQQDLSSY KFPHLQNCVT DATA SEQUENCE VGESLLPETL ENWRAQTGLD IRESYGQTET GLTCMVSKTM KIKPGYMGTA DATA SEQUENCE ASCYDVQIID DKGNVLPPGT EGDIGIRVKP IRPIGIFSGY VDNPDKTAAN DATA SEQUENCE IRGDFWLLGD RGIKDEDGYF QFMGRADDII NSSGYRIGPS EVENALMEHP DATA SEQUENCE AVVETAVISS PDPVRGEVVK AFVVLASQFL SHDPEQLTKE LQQHVKSVTA DATA SEQUENCE PYKYPRKIEF VLNLPKTVTG KIQRAKLRDK EWK 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 37 H HA 0.000 nan 4.556 nan 0.000 0.296 37 H C 0.000 175.306 175.328 -0.037 0.000 0.993 37 H CA 0.000 56.025 56.048 -0.038 0.000 1.023 37 H CB 0.000 29.744 29.762 -0.031 0.000 1.292 38 Q N 2.847 122.721 119.800 0.123 0.000 2.413 38 Q HA 0.376 4.720 4.340 0.006 0.000 0.276 38 Q C -0.784 175.227 176.000 0.019 0.000 1.099 38 Q CA -1.084 54.697 55.803 -0.036 0.000 0.814 38 Q CB 2.673 31.406 28.738 -0.007 0.000 1.379 38 Q HN 0.660 nan 8.270 nan 0.000 0.436 39 E N 1.615 121.789 120.200 -0.043 0.000 2.167 39 E HA 0.296 4.650 4.350 0.006 0.000 0.247 39 E C -0.624 175.979 176.600 0.006 0.000 0.961 39 E CA -0.292 56.112 56.400 0.007 0.000 0.797 39 E CB 0.867 30.556 29.700 -0.018 0.000 1.182 39 E HN 0.317 nan 8.360 nan 0.000 0.437 40 V N -0.478 119.450 119.914 0.024 0.000 3.074 40 V HA 0.658 4.781 4.120 0.006 0.000 0.314 40 V C -2.327 173.792 176.094 0.042 0.000 1.117 40 V CA -2.416 59.896 62.300 0.020 0.000 1.014 40 V CB 1.018 32.852 31.823 0.017 0.000 1.057 40 V HN 0.282 nan 8.190 nan 0.000 0.438 41 P HA 0.378 nan 4.420 nan 0.000 0.272 41 P C 0.750 178.097 177.300 0.079 0.000 1.230 41 P CA 0.147 63.290 63.100 0.072 0.000 0.788 41 P CB 0.969 32.733 31.700 0.106 0.000 0.949 42 A N 1.692 124.550 122.820 0.064 0.000 1.972 42 A HA -0.086 4.237 4.320 0.006 0.000 0.219 42 A C 0.881 178.510 177.584 0.075 0.000 1.169 42 A CA 1.349 53.420 52.037 0.057 0.000 0.635 42 A CB -0.348 18.673 19.000 0.036 0.000 0.810 42 A HN 0.540 nan 8.150 nan 0.000 0.446 43 K N -1.863 118.590 120.400 0.090 0.000 2.371 43 K HA 0.639 4.963 4.320 0.006 0.000 0.251 43 K C -1.913 174.802 176.600 0.192 0.000 0.934 43 K CA -0.412 55.930 56.287 0.092 0.000 0.798 43 K CB 2.182 34.696 32.500 0.024 0.000 1.204 43 K HN 0.209 nan 8.250 nan 0.000 0.427 44 F N 1.620 121.580 119.950 0.016 0.000 2.665 44 F HA 0.352 4.883 4.527 0.006 0.000 0.308 44 F C -1.629 174.195 175.800 0.041 0.000 1.112 44 F CA -0.616 57.415 58.000 0.052 0.000 0.972 44 F CB 1.923 40.991 39.000 0.114 0.000 1.295 44 F HN 0.462 nan 8.300 nan 0.000 0.440 45 N N 5.117 123.460 118.700 -0.595 0.000 2.503 45 N HA 0.109 4.853 4.740 0.006 0.000 0.287 45 N C -0.402 174.889 175.510 -0.364 0.000 1.096 45 N CA -0.337 52.572 53.050 -0.235 0.000 0.936 45 N CB 1.279 39.640 38.487 -0.211 0.000 1.570 45 N HN 0.728 nan 8.380 nan 0.000 0.504 46 F N 3.840 123.809 119.950 0.033 0.000 2.216 46 F HA -0.038 4.493 4.527 0.006 0.000 0.300 46 F C 2.085 177.940 175.800 0.091 0.000 1.085 46 F CA 2.064 60.152 58.000 0.147 0.000 1.326 46 F CB 0.266 39.499 39.000 0.388 0.000 1.027 46 F HN 0.696 nan 8.300 nan 0.000 0.497 47 A N -0.393 122.562 122.820 0.226 0.000 1.873 47 A HA -0.172 4.151 4.320 0.006 0.000 0.215 47 A C 2.334 179.914 177.584 -0.008 0.000 1.186 47 A CA 2.072 54.199 52.037 0.150 0.000 0.616 47 A CB -1.287 17.809 19.000 0.160 0.000 0.823 47 A HN 0.465 nan 8.150 nan 0.000 0.442 48 S N -0.474 115.184 115.700 -0.070 0.000 2.425 48 S HA -0.064 4.410 4.470 0.006 0.000 0.225 48 S C 1.097 175.590 174.600 -0.179 0.000 1.024 48 S CA 1.129 59.270 58.200 -0.099 0.000 0.951 48 S CB -0.271 62.876 63.200 -0.089 0.000 0.796 48 S HN 0.454 nan 8.310 nan 0.000 0.498 49 D N 0.762 120.975 120.400 -0.312 0.000 2.305 49 D HA 0.218 4.862 4.640 0.006 0.000 0.206 49 D C 1.701 177.797 176.300 -0.339 0.000 0.974 49 D CA 0.433 54.217 54.000 -0.360 0.000 0.871 49 D CB 0.429 40.875 40.800 -0.590 0.000 0.947 49 D HN 0.412 nan 8.370 nan 0.000 0.516 50 V N -0.023 119.658 119.914 -0.389 0.000 3.054 50 V HA 0.045 4.169 4.120 0.006 0.000 0.227 50 V C 1.932 177.905 176.094 -0.203 0.000 1.252 50 V CA -0.009 62.060 62.300 -0.385 0.000 1.279 50 V CB -0.147 31.262 31.823 -0.691 0.000 1.118 50 V HN 0.021 nan 8.190 nan 0.000 0.504 51 L N 0.839 121.980 121.223 -0.137 0.000 2.046 51 L HA -0.118 4.226 4.340 0.006 0.000 0.208 51 L C 1.877 178.797 176.870 0.083 0.000 1.077 51 L CA 2.193 57.102 54.840 0.116 0.000 0.747 51 L CB -0.656 41.495 42.059 0.154 0.000 0.896 51 L HN 0.308 nan 8.230 nan 0.000 0.432 52 D N -2.053 118.343 120.400 -0.006 0.000 2.269 52 D HA -0.167 4.477 4.640 0.006 0.000 0.208 52 D C 1.901 178.157 176.300 -0.074 0.000 0.963 52 D CA 1.078 55.070 54.000 -0.014 0.000 0.864 52 D CB -0.074 40.716 40.800 -0.018 0.000 0.936 52 D HN 0.575 nan 8.370 nan 0.000 0.505 53 H N -0.724 118.193 119.070 -0.255 0.000 2.319 53 H HA -0.172 4.387 4.556 0.006 0.000 0.297 53 H C 1.812 176.915 175.328 -0.374 0.000 1.097 53 H CA 2.021 57.831 56.048 -0.396 0.000 1.285 53 H CB -0.398 28.984 29.762 -0.633 0.000 1.368 53 H HN 0.196 nan 8.280 nan 0.000 0.495 54 W N 0.369 121.524 121.300 -0.241 0.000 2.388 54 W HA -0.031 4.633 4.660 0.007 0.000 0.294 54 W C 2.900 179.258 176.519 -0.268 0.000 1.212 54 W CA 0.766 57.861 57.345 -0.417 0.000 1.271 54 W CB -0.281 28.712 29.460 -0.779 0.000 1.126 54 W HN 0.346 nan 8.180 nan 0.000 0.535 55 A N 0.577 123.452 122.820 0.092 0.000 1.877 55 A HA -0.226 4.098 4.320 0.006 0.000 0.216 55 A C 1.625 179.209 177.584 -0.001 0.000 1.186 55 A CA 2.142 54.235 52.037 0.093 0.000 0.620 55 A CB -0.880 18.175 19.000 0.091 0.000 0.822 55 A HN 0.140 nan 8.150 nan 0.000 0.443 56 D N -0.385 119.966 120.400 -0.082 0.000 2.178 56 D HA -0.124 4.520 4.640 0.006 0.000 0.201 56 D C 1.985 178.207 176.300 -0.130 0.000 0.980 56 D CA 1.018 54.954 54.000 -0.106 0.000 0.842 56 D CB -0.299 40.422 40.800 -0.132 0.000 0.948 56 D HN 0.351 nan 8.370 nan 0.000 0.472 57 M N 0.332 119.810 119.600 -0.203 0.000 2.159 57 M HA -0.101 4.382 4.480 0.006 0.000 0.263 57 M C 1.921 178.198 176.300 -0.039 0.000 1.063 57 M CA 1.177 56.388 55.300 -0.148 0.000 1.110 57 M CB -0.608 31.897 32.600 -0.159 0.000 1.374 57 M HN 0.105 nan 8.290 nan 0.000 0.411 58 E N 0.435 120.635 120.200 -0.000 0.000 2.028 58 E HA -0.142 4.212 4.350 0.006 0.000 0.190 58 E C 2.082 178.690 176.600 0.014 0.000 0.984 58 E CA 0.969 57.388 56.400 0.032 0.000 0.800 58 E CB -0.006 29.739 29.700 0.075 0.000 0.758 58 E HN 0.451 nan 8.360 nan 0.000 0.448 59 K N 0.411 120.815 120.400 0.006 0.000 2.074 59 K HA -0.162 4.162 4.320 0.006 0.000 0.209 59 K C 1.916 178.512 176.600 -0.007 0.000 1.048 59 K CA 1.360 57.647 56.287 0.000 0.000 0.926 59 K CB -0.131 32.367 32.500 -0.004 0.000 0.713 59 K HN 0.050 nan 8.250 nan 0.000 0.444 60 A N -0.146 122.662 122.820 -0.019 0.000 2.251 60 A HA 0.223 4.547 4.320 0.006 0.000 0.209 60 A C 1.372 178.949 177.584 -0.012 0.000 1.187 60 A CA 0.812 52.837 52.037 -0.020 0.000 0.823 60 A CB -0.142 18.838 19.000 -0.033 0.000 0.846 60 A HN 0.450 nan 8.150 nan 0.000 0.486 61 G N -0.377 108.420 108.800 -0.005 0.000 2.176 61 G HA2 -0.306 3.658 3.960 0.006 0.000 0.253 61 G HA3 -0.306 3.658 3.960 0.006 0.000 0.253 61 G C 0.937 175.840 174.900 0.006 0.000 0.979 61 G CA 0.781 45.883 45.100 0.002 0.000 0.641 61 G HN 0.530 nan 8.290 nan 0.000 0.530 62 K N -0.550 119.850 120.400 0.000 0.000 2.366 62 K HA 0.136 4.460 4.320 0.006 0.000 0.198 62 K C 1.269 177.885 176.600 0.028 0.000 1.044 62 K CA 0.720 57.012 56.287 0.007 0.000 0.973 62 K CB 0.278 32.771 32.500 -0.012 0.000 0.767 62 K HN 0.401 nan 8.250 nan 0.000 0.475 63 R N 0.738 121.257 120.500 0.032 0.000 2.651 63 R HA 0.245 4.589 4.340 0.006 0.000 0.278 63 R C -2.954 173.374 176.300 0.047 0.000 1.010 63 R CA -2.081 54.051 56.100 0.053 0.000 0.896 63 R CB 1.665 32.015 30.300 0.083 0.000 1.211 63 R HN -0.230 nan 8.270 nan 0.000 0.456 64 P HA 0.146 nan 4.420 nan 0.000 0.269 64 P C -2.558 174.778 177.300 0.059 0.000 1.215 64 P CA -1.230 61.895 63.100 0.041 0.000 0.780 64 P CB 0.053 31.774 31.700 0.034 0.000 0.898 65 P HA -0.033 nan 4.420 nan 0.000 0.251 65 P C -0.581 176.766 177.300 0.079 0.000 1.154 65 P CA 1.083 64.222 63.100 0.066 0.000 0.805 65 P CB -0.248 31.468 31.700 0.027 0.000 0.759 66 S N 5.806 121.600 115.700 0.156 0.000 2.501 66 S HA 0.567 5.041 4.470 0.006 0.000 0.301 66 S C -2.499 172.186 174.600 0.141 0.000 1.096 66 S CA -1.659 56.644 58.200 0.171 0.000 1.063 66 S CB 1.081 64.420 63.200 0.230 0.000 1.042 66 S HN 0.228 nan 8.310 nan 0.000 0.494 67 P HA 0.317 nan 4.420 nan 0.000 0.271 67 P C -0.204 177.019 177.300 -0.128 0.000 1.216 67 P CA -0.187 62.897 63.100 -0.026 0.000 0.771 67 P CB 0.837 32.541 31.700 0.007 0.000 0.864 68 A N 3.618 126.211 122.820 -0.378 0.000 1.970 68 A HA 0.273 4.597 4.320 0.006 0.000 0.204 68 A C 0.186 177.813 177.584 0.071 0.000 1.325 68 A CA 0.778 52.400 52.037 -0.691 0.000 0.767 68 A CB -0.179 17.875 19.000 -1.576 0.000 0.949 68 A HN 0.482 nan 8.150 nan 0.000 0.481 69 L N -0.937 120.351 121.223 0.109 0.000 2.406 69 L HA 0.669 5.013 4.340 0.006 0.000 0.272 69 L C -2.072 174.988 176.870 0.315 0.000 0.980 69 L CA -0.576 54.391 54.840 0.211 0.000 0.831 69 L CB 1.862 43.969 42.059 0.081 0.000 1.253 69 L HN 0.343 nan 8.230 nan 0.000 0.406 70 W N 6.771 128.059 121.300 -0.021 0.000 2.424 70 W HA 0.448 5.112 4.660 0.007 0.000 0.318 70 W C -2.036 174.244 176.519 -0.399 0.000 1.016 70 W CA -1.671 55.616 57.345 -0.097 0.000 1.268 70 W CB 1.352 30.780 29.460 -0.053 0.000 1.297 70 W HN 0.680 nan 8.180 nan 0.000 0.428 71 W N 8.340 129.622 121.300 -0.029 0.000 2.666 71 W HA 0.624 5.289 4.660 0.008 0.000 0.334 71 W C -1.174 175.145 176.519 -0.332 0.000 1.051 71 W CA -0.870 56.272 57.345 -0.339 0.000 1.224 71 W CB 1.355 30.761 29.460 -0.090 0.000 1.405 71 W HN 0.315 nan 8.180 nan 0.000 0.513 72 V N 4.189 123.172 119.914 -1.552 0.000 2.925 72 V HA 0.529 4.653 4.120 0.006 0.000 0.311 72 V C -0.050 174.869 176.094 -1.958 0.000 1.104 72 V CA -0.681 60.704 62.300 -1.524 0.000 0.954 72 V CB 2.029 33.231 31.823 -1.036 0.000 1.022 72 V HN 0.789 nan 8.190 nan 0.000 0.427 73 N N 1.522 119.328 118.700 -1.490 0.000 2.254 73 N HA 0.281 5.025 4.740 0.006 0.000 0.190 73 N C 1.264 176.486 175.510 -0.480 0.000 1.107 73 N CA 0.922 53.458 53.050 -0.856 0.000 0.869 73 N CB 0.949 39.188 38.487 -0.412 0.000 0.983 73 N HN 2.007 nan 8.380 nan 0.000 0.487 74 G N 0.505 109.001 108.800 -0.506 0.000 2.195 74 G HA2 -0.300 3.664 3.960 0.006 0.000 0.246 74 G HA3 -0.300 3.664 3.960 0.006 0.000 0.246 74 G C 0.541 175.420 174.900 -0.036 0.000 0.984 74 G CA 0.427 45.449 45.100 -0.129 0.000 0.633 74 G HN 0.462 nan 8.290 nan 0.000 0.525 75 K N -0.082 120.274 120.400 -0.072 0.000 2.455 75 K HA 0.471 4.795 4.320 0.006 0.000 0.206 75 K C 1.537 178.124 176.600 -0.021 0.000 1.027 75 K CA 0.368 56.644 56.287 -0.019 0.000 1.113 75 K CB 0.702 33.204 32.500 0.004 0.000 0.850 75 K HN 1.201 nan 8.250 nan 0.000 0.503 76 G N 1.818 110.592 108.800 -0.043 0.000 2.179 76 G HA2 -0.256 3.708 3.960 0.006 0.000 0.220 76 G HA3 -0.256 3.708 3.960 0.006 0.000 0.220 76 G C -0.164 174.723 174.900 -0.022 0.000 0.990 76 G CA -0.204 44.885 45.100 -0.019 0.000 0.646 76 G HN 0.207 nan 8.290 nan 0.000 0.517 77 K N 1.348 121.708 120.400 -0.067 0.000 2.213 77 K HA 0.654 4.978 4.320 0.006 0.000 0.270 77 K C -0.064 176.461 176.600 -0.126 0.000 1.002 77 K CA -0.410 55.862 56.287 -0.024 0.000 0.868 77 K CB 0.677 33.224 32.500 0.080 0.000 1.093 77 K HN 0.357 nan 8.250 nan 0.000 0.454 78 E N 3.927 124.140 120.200 0.021 0.000 2.340 78 E HA 0.478 4.831 4.350 0.006 0.000 0.273 78 E C -1.081 175.634 176.600 0.190 0.000 0.891 78 E CA -0.963 55.481 56.400 0.072 0.000 0.757 78 E CB 2.105 31.899 29.700 0.157 0.000 1.231 78 E HN 0.329 nan 8.360 nan 0.000 0.439 79 L N 2.153 123.559 121.223 0.305 0.000 2.445 79 L HA 0.589 4.933 4.340 0.006 0.000 0.262 79 L C -0.993 175.943 176.870 0.110 0.000 0.974 79 L CA -0.761 54.154 54.840 0.126 0.000 0.822 79 L CB 2.378 44.539 42.059 0.170 0.000 1.339 79 L HN 0.433 nan 8.230 nan 0.000 0.409 80 M N 2.606 122.092 119.600 -0.191 0.000 2.386 80 M HA 0.421 4.905 4.480 0.006 0.000 0.293 80 M C -2.261 173.931 176.300 -0.181 0.000 1.120 80 M CA -0.240 55.010 55.300 -0.083 0.000 0.909 80 M CB 2.765 35.173 32.600 -0.319 0.000 1.661 80 M HN 0.568 nan 8.290 nan 0.000 0.452 81 W N 4.010 125.244 121.300 -0.110 0.000 2.587 81 W HA 0.279 4.943 4.660 0.006 0.000 0.324 81 W C -0.068 176.330 176.519 -0.202 0.000 1.040 81 W CA -0.655 56.611 57.345 -0.132 0.000 1.222 81 W CB 1.842 31.228 29.460 -0.124 0.000 1.381 81 W HN 0.708 nan 8.180 nan 0.000 0.483 82 N N 0.207 118.914 118.700 0.012 0.000 2.364 82 N HA 0.201 4.945 4.740 0.006 0.000 0.264 82 N C 0.368 175.826 175.510 -0.086 0.000 1.263 82 N CA -0.313 52.704 53.050 -0.055 0.000 0.959 82 N CB 0.304 38.802 38.487 0.018 0.000 1.204 82 N HN 0.204 nan 8.380 nan 0.000 0.550 83 F N -1.380 118.568 119.950 -0.003 0.000 2.234 83 F HA 0.099 4.630 4.527 0.007 0.000 0.299 83 F C 2.588 178.380 175.800 -0.013 0.000 1.087 83 F CA 0.871 58.844 58.000 -0.044 0.000 1.340 83 F CB -0.199 38.799 39.000 -0.003 0.000 1.031 83 F HN 0.531 nan 8.300 nan 0.000 0.500 84 R N 0.853 121.458 120.500 0.174 0.000 2.066 84 R HA -0.155 4.189 4.340 0.006 0.000 0.232 84 R C 1.968 178.320 176.300 0.087 0.000 1.131 84 R CA 1.840 58.004 56.100 0.106 0.000 0.955 84 R CB -0.289 30.058 30.300 0.079 0.000 0.851 84 R HN 0.280 nan 8.270 nan 0.000 0.432 85 E N 0.491 120.746 120.200 0.093 0.000 2.077 85 E HA -0.224 4.129 4.350 0.006 0.000 0.193 85 E C 1.997 178.742 176.600 0.242 0.000 0.989 85 E CA 1.302 57.787 56.400 0.142 0.000 0.800 85 E CB -0.151 29.613 29.700 0.107 0.000 0.746 85 E HN 0.203 nan 8.360 nan 0.000 0.452 86 L N 0.744 122.062 121.223 0.158 0.000 2.046 86 L HA -0.195 4.148 4.340 0.006 0.000 0.208 86 L C 2.402 179.257 176.870 -0.025 0.000 1.077 86 L CA 1.844 56.666 54.840 -0.029 0.000 0.747 86 L CB -0.604 41.270 42.059 -0.308 0.000 0.896 86 L HN 0.007 nan 8.230 nan 0.000 0.432 87 S N -0.786 114.923 115.700 0.015 0.000 2.348 87 S HA -0.233 4.241 4.470 0.006 0.000 0.221 87 S C 1.892 176.517 174.600 0.042 0.000 1.033 87 S CA 1.646 59.865 58.200 0.031 0.000 1.010 87 S CB -0.360 62.873 63.200 0.055 0.000 0.891 87 S HN 0.631 nan 8.310 nan 0.000 0.442 88 E N 0.775 121.010 120.200 0.059 0.000 2.058 88 E HA -0.165 4.188 4.350 0.006 0.000 0.194 88 E C 2.163 178.800 176.600 0.063 0.000 0.997 88 E CA 1.300 57.733 56.400 0.056 0.000 0.801 88 E CB -0.311 29.422 29.700 0.056 0.000 0.746 88 E HN 0.645 nan 8.360 nan 0.000 0.450 89 N N 0.060 118.822 118.700 0.103 0.000 2.270 89 N HA -0.118 4.626 4.740 0.006 0.000 0.181 89 N C 1.840 177.388 175.510 0.064 0.000 1.016 89 N CA 1.042 54.167 53.050 0.127 0.000 0.870 89 N CB 0.177 38.841 38.487 0.295 0.000 0.979 89 N HN 0.082 nan 8.380 nan 0.000 0.431 90 S N -0.117 115.599 115.700 0.027 0.000 2.436 90 S HA -0.038 4.436 4.470 0.006 0.000 0.228 90 S C 1.722 176.308 174.600 -0.024 0.000 1.014 90 S CA 0.442 58.643 58.200 0.002 0.000 0.950 90 S CB -0.064 63.130 63.200 -0.010 0.000 0.784 90 S HN 0.335 nan 8.310 nan 0.000 0.504 91 Q N 0.971 120.767 119.800 -0.006 0.000 2.123 91 Q HA -0.060 4.284 4.340 0.006 0.000 0.199 91 Q C 2.455 178.442 176.000 -0.022 0.000 0.966 91 Q CA 1.354 57.149 55.803 -0.012 0.000 0.845 91 Q CB -0.252 28.517 28.738 0.052 0.000 0.907 91 Q HN 0.696 nan 8.270 nan 0.000 0.439 92 Q N 0.167 119.963 119.800 -0.006 0.000 2.096 92 Q HA -0.172 4.172 4.340 0.006 0.000 0.204 92 Q C 2.122 178.095 176.000 -0.046 0.000 0.982 92 Q CA 1.342 57.131 55.803 -0.023 0.000 0.850 92 Q CB -0.202 28.524 28.738 -0.021 0.000 0.901 92 Q HN 0.367 nan 8.270 nan 0.000 0.422 93 A N 1.157 123.968 122.820 -0.014 0.000 1.877 93 A HA -0.158 4.166 4.320 0.006 0.000 0.216 93 A C 2.325 179.904 177.584 -0.009 0.000 1.186 93 A CA 1.658 53.725 52.037 0.051 0.000 0.620 93 A CB -0.891 18.188 19.000 0.131 0.000 0.822 93 A HN 0.413 nan 8.150 nan 0.000 0.443 94 A N 0.174 122.909 122.820 -0.142 0.000 1.940 94 A HA -0.222 4.102 4.320 0.006 0.000 0.219 94 A C 1.929 179.422 177.584 -0.151 0.000 1.176 94 A CA 1.898 53.744 52.037 -0.318 0.000 0.631 94 A CB -0.635 17.784 19.000 -0.969 0.000 0.814 94 A HN 0.559 nan 8.150 nan 0.000 0.446 95 N N 0.011 118.682 118.700 -0.047 0.000 2.188 95 N HA -0.091 4.653 4.740 0.006 0.000 0.184 95 N C 1.704 177.229 175.510 0.025 0.000 1.018 95 N CA 1.456 54.543 53.050 0.062 0.000 0.858 95 N CB -0.488 38.030 38.487 0.050 0.000 0.989 95 N HN 0.271 nan 8.380 nan 0.000 0.426 96 V N 1.631 121.540 119.914 -0.007 0.000 2.343 96 V HA -0.178 3.946 4.120 0.006 0.000 0.247 96 V C 2.347 178.470 176.094 0.049 0.000 1.051 96 V CA 1.279 63.577 62.300 -0.004 0.000 1.036 96 V CB -0.468 31.315 31.823 -0.066 0.000 0.654 96 V HN 0.190 nan 8.190 nan 0.000 0.451 97 L N 0.542 121.804 121.223 0.064 0.000 2.044 97 L HA -0.097 4.247 4.340 0.006 0.000 0.205 97 L C 2.560 179.466 176.870 0.061 0.000 1.075 97 L CA 1.905 56.789 54.840 0.072 0.000 0.747 97 L CB -0.598 41.498 42.059 0.062 0.000 0.903 97 L HN 0.508 nan 8.230 nan 0.000 0.435 98 S N -1.317 114.423 115.700 0.066 0.000 2.503 98 S HA 0.102 4.575 4.470 0.006 0.000 0.217 98 S C 1.627 176.271 174.600 0.072 0.000 0.999 98 S CA 0.311 58.561 58.200 0.085 0.000 0.914 98 S CB 0.163 63.449 63.200 0.143 0.000 0.782 98 S HN 0.369 nan 8.310 nan 0.000 0.520 99 G N 1.353 110.191 108.800 0.063 0.000 2.760 99 G HA2 0.456 4.420 3.960 0.006 0.000 0.214 99 G HA3 0.456 4.420 3.960 0.006 0.000 0.214 99 G C 1.592 176.510 174.900 0.030 0.000 1.212 99 G CA 0.287 45.413 45.100 0.045 0.000 0.858 99 G HN 0.577 nan 8.290 nan 0.000 0.611 100 A N 0.073 122.908 122.820 0.025 0.000 1.883 100 A HA -0.080 4.244 4.320 0.006 0.000 0.217 100 A C 2.328 179.927 177.584 0.026 0.000 1.186 100 A CA 2.060 54.108 52.037 0.018 0.000 0.624 100 A CB -0.951 18.054 19.000 0.009 0.000 0.822 100 A HN 0.446 nan 8.150 nan 0.000 0.444 101 C N -1.340 117.981 119.300 0.035 0.000 2.696 101 C HA 0.453 4.917 4.460 0.006 0.000 0.264 101 C C 1.912 176.921 174.990 0.030 0.000 1.288 101 C CA -0.162 58.878 59.018 0.036 0.000 1.717 101 C CB -1.040 26.730 27.740 0.050 0.000 1.893 101 C HN 1.079 nan 8.230 nan 0.000 0.577 102 G N 1.455 110.275 108.800 0.034 0.000 2.258 102 G HA2 -0.276 3.688 3.960 0.006 0.000 0.274 102 G HA3 -0.276 3.688 3.960 0.006 0.000 0.274 102 G C -0.028 174.892 174.900 0.034 0.000 1.021 102 G CA -0.001 45.118 45.100 0.032 0.000 0.798 102 G HN 0.600 nan 8.290 nan 0.000 0.507 103 L N 0.050 121.298 121.223 0.041 0.000 2.416 103 L HA 0.322 4.665 4.340 0.006 0.000 0.272 103 L C 0.724 177.624 176.870 0.050 0.000 1.161 103 L CA -0.243 54.622 54.840 0.042 0.000 0.845 103 L CB 0.732 42.818 42.059 0.045 0.000 1.119 103 L HN 0.184 nan 8.230 nan 0.000 0.464 104 Q N 2.886 122.713 119.800 0.045 0.000 2.257 104 Q HA 0.330 4.674 4.340 0.006 0.000 0.262 104 Q C -0.415 175.619 176.000 0.057 0.000 0.997 104 Q CA -0.951 54.880 55.803 0.048 0.000 0.873 104 Q CB 1.716 30.475 28.738 0.035 0.000 1.312 104 Q HN 0.432 nan 8.270 nan 0.000 0.450 105 R N -0.152 120.386 120.500 0.064 0.000 2.500 105 R HA 0.021 4.365 4.340 0.006 0.000 0.281 105 R C 0.805 177.144 176.300 0.064 0.000 0.953 105 R CA 1.757 57.901 56.100 0.074 0.000 1.108 105 R CB -0.300 30.039 30.300 0.065 0.000 0.901 105 R HN 0.942 nan 8.270 nan 0.000 0.410 106 G N 2.925 111.771 108.800 0.077 0.000 2.217 106 G HA2 -0.248 3.715 3.960 0.006 0.000 0.246 106 G HA3 -0.248 3.715 3.960 0.006 0.000 0.246 106 G C -0.308 174.613 174.900 0.035 0.000 0.990 106 G CA 0.229 45.362 45.100 0.055 0.000 0.627 106 G HN 0.678 nan 8.290 nan 0.000 0.522 107 D N 0.909 121.332 120.400 0.038 0.000 2.399 107 D HA 0.477 5.120 4.640 0.006 0.000 0.241 107 D C 1.008 177.321 176.300 0.021 0.000 1.133 107 D CA 0.177 54.193 54.000 0.026 0.000 0.890 107 D CB 0.443 41.261 40.800 0.030 0.000 1.201 107 D HN 0.433 nan 8.370 nan 0.000 0.432 108 R N 0.776 121.282 120.500 0.009 0.000 2.346 108 R HA 0.533 4.877 4.340 0.006 0.000 0.311 108 R C -0.901 175.408 176.300 0.014 0.000 0.983 108 R CA -0.810 55.291 56.100 0.001 0.000 0.880 108 R CB 1.432 31.728 30.300 -0.007 0.000 1.100 108 R HN 0.105 nan 8.270 nan 0.000 0.453 109 V N 2.751 122.677 119.914 0.019 0.000 2.349 109 V HA 0.358 4.482 4.120 0.006 0.000 0.284 109 V C 0.127 176.239 176.094 0.030 0.000 1.014 109 V CA -0.953 61.362 62.300 0.025 0.000 0.826 109 V CB 1.442 33.283 31.823 0.029 0.000 1.009 109 V HN 0.931 nan 8.190 nan 0.000 0.431 110 A N 4.869 127.711 122.820 0.037 0.000 2.440 110 A HA 0.648 4.972 4.320 0.006 0.000 0.251 110 A C -0.273 177.336 177.584 0.041 0.000 1.089 110 A CA -0.114 51.954 52.037 0.053 0.000 0.779 110 A CB 0.597 19.633 19.000 0.060 0.000 1.022 110 A HN 0.723 nan 8.150 nan 0.000 0.492 111 V N 3.569 123.511 119.914 0.046 0.000 2.443 111 V HA 0.398 4.522 4.120 0.006 0.000 0.293 111 V C -0.600 175.563 176.094 0.116 0.000 1.021 111 V CA -0.308 62.008 62.300 0.027 0.000 0.848 111 V CB 1.635 33.398 31.823 -0.101 0.000 0.998 111 V HN 0.632 nan 8.190 nan 0.000 0.424 112 V N 7.276 127.258 119.914 0.114 0.000 2.383 112 V HA 0.504 4.628 4.120 0.006 0.000 0.264 112 V C -0.432 175.735 176.094 0.122 0.000 1.001 112 V CA -0.148 62.231 62.300 0.132 0.000 0.828 112 V CB 0.960 32.846 31.823 0.106 0.000 1.069 112 V HN 0.640 nan 8.190 nan 0.000 0.451 113 L N 5.491 126.818 121.223 0.173 0.000 2.371 113 L HA 0.691 5.035 4.340 0.006 0.000 0.262 113 L C -2.230 174.708 176.870 0.114 0.000 1.006 113 L CA -1.834 53.095 54.840 0.147 0.000 0.818 113 L CB 3.503 45.684 42.059 0.203 0.000 1.354 113 L HN 0.287 nan 8.230 nan 0.000 0.415 114 P HA 0.143 nan 4.420 nan 0.000 0.297 114 P C -0.877 176.508 177.300 0.142 0.000 1.303 114 P CA -0.564 62.603 63.100 0.111 0.000 0.753 114 P CB 0.503 32.282 31.700 0.132 0.000 1.281 115 R N 0.081 120.708 120.500 0.212 0.000 3.688 115 R HA 0.238 4.582 4.340 0.006 0.000 0.194 115 R C -0.001 176.569 176.300 0.449 0.000 1.677 115 R CA -0.184 56.130 56.100 0.358 0.000 1.351 115 R CB -0.969 29.555 30.300 0.373 0.000 1.338 115 R HN 0.286 nan 8.270 nan 0.000 0.731 116 V N -1.439 118.676 119.914 0.335 0.000 2.864 116 V HA 0.423 4.547 4.120 0.006 0.000 0.314 116 V C -2.167 173.953 176.094 0.044 0.000 1.073 116 V CA -2.586 59.710 62.300 -0.006 0.000 0.956 116 V CB 2.177 33.966 31.823 -0.057 0.000 1.023 116 V HN 0.144 nan 8.190 nan 0.000 0.435 117 P HA -0.127 nan 4.420 nan 0.000 0.216 117 P C 1.279 178.607 177.300 0.046 0.000 1.150 117 P CA 1.512 64.483 63.100 -0.215 0.000 0.843 117 P CB 0.237 31.701 31.700 -0.393 0.000 0.787 118 E N -1.970 118.245 120.200 0.025 0.000 2.209 118 E HA -0.207 4.147 4.350 0.006 0.000 0.196 118 E C 1.651 178.255 176.600 0.006 0.000 0.993 118 E CA 0.961 57.372 56.400 0.018 0.000 0.819 118 E CB -0.934 28.730 29.700 -0.060 0.000 0.745 118 E HN 0.376 nan 8.360 nan 0.000 0.477 119 W N -0.070 121.207 121.300 -0.039 0.000 2.335 119 W HA -0.175 4.489 4.660 0.007 0.000 0.311 119 W C 1.630 178.003 176.519 -0.244 0.000 1.213 119 W CA 1.522 58.748 57.345 -0.198 0.000 1.274 119 W CB -0.230 29.015 29.460 -0.358 0.000 1.148 119 W HN 0.116 nan 8.180 nan 0.000 0.498 120 W N -0.189 121.210 121.300 0.166 0.000 2.388 120 W HA -0.130 4.534 4.660 0.006 0.000 0.294 120 W C 2.059 178.525 176.519 -0.088 0.000 1.212 120 W CA 0.957 58.361 57.345 0.098 0.000 1.271 120 W CB -1.061 28.507 29.460 0.180 0.000 1.126 120 W HN -0.040 nan 8.180 nan 0.000 0.535 121 L N -0.508 120.762 121.223 0.078 0.000 2.056 121 L HA -0.206 4.138 4.340 0.006 0.000 0.207 121 L C 2.271 179.103 176.870 -0.064 0.000 1.078 121 L CA 0.791 55.632 54.840 0.001 0.000 0.749 121 L CB -1.209 40.878 42.059 0.046 0.000 0.901 121 L HN -0.241 nan 8.230 nan 0.000 0.433 122 V N -0.277 119.520 119.914 -0.195 0.000 2.379 122 V HA -0.243 3.881 4.120 0.006 0.000 0.245 122 V C 2.421 178.278 176.094 -0.394 0.000 1.044 122 V CA 1.198 63.329 62.300 -0.283 0.000 1.036 122 V CB -0.283 31.279 31.823 -0.435 0.000 0.664 122 V HN 0.230 nan 8.190 nan 0.000 0.453 123 I N -0.160 120.003 120.570 -0.680 0.000 2.163 123 I HA -0.228 3.946 4.170 0.006 0.000 0.243 123 I C 2.360 178.164 176.117 -0.521 0.000 1.085 123 I CA 1.601 62.348 61.300 -0.920 0.000 1.347 123 I CB -1.230 35.918 38.000 -1.419 0.000 1.044 123 I HN 0.239 nan 8.210 nan 0.000 0.408 124 L N 0.212 121.275 121.223 -0.265 0.000 2.083 124 L HA -0.155 4.189 4.340 0.006 0.000 0.209 124 L C 2.572 179.412 176.870 -0.050 0.000 1.083 124 L CA 1.474 56.283 54.840 -0.050 0.000 0.752 124 L CB -1.058 41.040 42.059 0.065 0.000 0.899 124 L HN 0.327 nan 8.230 nan 0.000 0.433 125 G N -0.960 107.786 108.800 -0.090 0.000 2.418 125 G HA2 -0.236 3.728 3.960 0.006 0.000 0.217 125 G HA3 -0.236 3.728 3.960 0.006 0.000 0.217 125 G C 1.622 176.484 174.900 -0.063 0.000 1.158 125 G CA 0.889 45.937 45.100 -0.087 0.000 0.771 125 G HN 0.396 nan 8.290 nan 0.000 0.545 126 C N 0.409 119.682 119.300 -0.046 0.000 2.432 126 C HA 0.035 4.499 4.460 0.006 0.000 0.277 126 C C 2.836 177.926 174.990 0.167 0.000 1.249 126 C CA 0.491 59.545 59.018 0.060 0.000 1.725 126 C CB -1.012 26.787 27.740 0.099 0.000 2.028 126 C HN 0.478 nan 8.230 nan 0.000 0.477 127 I N 0.598 121.274 120.570 0.176 0.000 2.208 127 I HA -0.259 3.915 4.170 0.006 0.000 0.245 127 I C 2.794 179.064 176.117 0.255 0.000 1.097 127 I CA 1.658 63.165 61.300 0.346 0.000 1.363 127 I CB -0.523 37.668 38.000 0.319 0.000 1.051 127 I HN 0.358 nan 8.210 nan 0.000 0.413 128 R N 0.651 121.226 120.500 0.124 0.000 2.081 128 R HA -0.079 4.264 4.340 0.006 0.000 0.235 128 R C 2.147 178.547 176.300 0.166 0.000 1.131 128 R CA 1.510 57.668 56.100 0.097 0.000 0.960 128 R CB -0.373 29.899 30.300 -0.048 0.000 0.856 128 R HN 0.348 nan 8.270 nan 0.000 0.436 129 A N -0.007 122.871 122.820 0.096 0.000 2.251 129 A HA 0.241 4.565 4.320 0.006 0.000 0.209 129 A C 1.208 178.888 177.584 0.159 0.000 1.187 129 A CA 0.575 52.706 52.037 0.158 0.000 0.823 129 A CB -0.038 19.005 19.000 0.071 0.000 0.846 129 A HN 0.447 nan 8.150 nan 0.000 0.486 130 G N -0.612 108.297 108.800 0.182 0.000 2.198 130 G HA2 -0.216 3.748 3.960 0.006 0.000 0.257 130 G HA3 -0.216 3.748 3.960 0.006 0.000 0.257 130 G C -0.077 174.961 174.900 0.230 0.000 1.042 130 G CA 0.480 45.713 45.100 0.221 0.000 0.791 130 G HN 0.499 nan 8.290 nan 0.000 0.502 131 L N -0.309 121.041 121.223 0.211 0.000 2.322 131 L HA 0.602 4.946 4.340 0.006 0.000 0.279 131 L C 0.973 177.931 176.870 0.147 0.000 1.036 131 L CA -1.218 53.710 54.840 0.148 0.000 0.807 131 L CB 1.509 43.633 42.059 0.109 0.000 1.226 131 L HN 0.012 nan 8.230 nan 0.000 0.433 132 I N 3.240 123.842 120.570 0.054 0.000 2.363 132 I HA 0.103 4.276 4.170 0.006 0.000 0.292 132 I C -0.120 175.957 176.117 -0.066 0.000 1.075 132 I CA -0.205 61.054 61.300 -0.069 0.000 1.333 132 I CB 0.021 37.957 38.000 -0.107 0.000 1.415 132 I HN 0.355 nan 8.210 nan 0.000 0.502 133 F N 5.833 125.711 119.950 -0.120 0.000 2.384 133 F HA 0.682 5.213 4.527 0.006 0.000 0.338 133 F C -0.154 175.520 175.800 -0.210 0.000 1.103 133 F CA -0.982 56.915 58.000 -0.171 0.000 1.157 133 F CB 0.545 39.398 39.000 -0.244 0.000 1.167 133 F HN 0.233 nan 8.300 nan 0.000 0.529 134 M N 4.616 124.182 119.600 -0.057 0.000 1.986 134 M HA 0.326 4.810 4.480 0.006 0.000 0.247 134 M C -2.842 173.454 176.300 -0.007 0.000 0.851 134 M CA -1.566 53.669 55.300 -0.109 0.000 0.785 134 M CB 1.247 33.866 32.600 0.032 0.000 1.554 134 M HN 0.328 nan 8.290 nan 0.000 0.361 135 P HA 0.470 nan 4.420 nan 0.000 0.278 135 P C -0.056 177.358 177.300 0.190 0.000 1.238 135 P CA -0.060 63.129 63.100 0.147 0.000 0.794 135 P CB 1.192 33.102 31.700 0.351 0.000 0.955 136 G N -0.209 108.719 108.800 0.213 0.000 2.690 136 G HA2 0.470 4.434 3.960 0.006 0.000 0.293 136 G HA3 0.470 4.434 3.960 0.006 0.000 0.293 136 G C -1.181 173.822 174.900 0.173 0.000 1.399 136 G CA -0.484 44.731 45.100 0.192 0.000 0.890 136 G HN 0.456 nan 8.290 nan 0.000 0.485 137 T N 0.046 114.698 114.554 0.164 0.000 2.918 137 T HA 0.194 4.548 4.350 0.006 0.000 0.302 137 T C 2.018 176.786 174.700 0.113 0.000 1.045 137 T CA 0.119 62.304 62.100 0.141 0.000 1.114 137 T CB 0.162 69.134 68.868 0.172 0.000 0.965 137 T HN 0.678 nan 8.240 nan 0.000 0.540 138 I N 2.333 122.959 120.570 0.093 0.000 3.083 138 I HA -0.013 4.160 4.170 0.006 0.000 0.273 138 I C 2.097 178.247 176.117 0.056 0.000 1.297 138 I CA 0.780 62.123 61.300 0.072 0.000 1.452 138 I CB -0.388 37.652 38.000 0.066 0.000 1.078 138 I HN 0.629 nan 8.210 nan 0.000 0.484 139 Q N 0.928 120.769 119.800 0.068 0.000 2.291 139 Q HA 0.071 4.415 4.340 0.006 0.000 0.205 139 Q C 0.893 176.904 176.000 0.019 0.000 0.970 139 Q CA 0.541 56.371 55.803 0.044 0.000 0.876 139 Q CB -0.034 28.750 28.738 0.077 0.000 0.935 139 Q HN 0.573 nan 8.270 nan 0.000 0.455 140 M N 1.418 121.042 119.600 0.040 0.000 2.250 140 M HA -0.034 4.450 4.480 0.006 0.000 0.337 140 M C 0.178 176.469 176.300 -0.015 0.000 1.161 140 M CA 0.741 56.047 55.300 0.010 0.000 1.088 140 M CB 0.402 33.018 32.600 0.027 0.000 1.639 140 M HN -0.142 nan 8.290 nan 0.000 0.447 141 K N 0.833 121.207 120.400 -0.042 0.000 2.210 141 K HA 0.295 4.619 4.320 0.006 0.000 0.236 141 K C 1.132 177.718 176.600 -0.023 0.000 1.016 141 K CA -0.133 56.130 56.287 -0.040 0.000 0.913 141 K CB 0.920 33.378 32.500 -0.071 0.000 1.141 141 K HN 0.770 nan 8.250 nan 0.000 0.462 142 S N -0.201 115.491 115.700 -0.014 0.000 2.370 142 S HA -0.171 4.303 4.470 0.006 0.000 0.226 142 S C 1.674 176.275 174.600 0.002 0.000 1.033 142 S CA 2.110 60.313 58.200 0.004 0.000 1.011 142 S CB -0.626 62.580 63.200 0.010 0.000 0.852 142 S HN 0.586 nan 8.310 nan 0.000 0.457 143 T N 2.247 116.793 114.554 -0.013 0.000 2.867 143 T HA -0.063 4.290 4.350 0.006 0.000 0.268 143 T C 1.369 176.069 174.700 -0.001 0.000 1.057 143 T CA 1.418 63.514 62.100 -0.006 0.000 1.136 143 T CB -0.554 68.298 68.868 -0.027 0.000 0.874 143 T HN 0.475 nan 8.240 nan 0.000 0.466 144 D N 1.175 121.557 120.400 -0.030 0.000 2.117 144 D HA -0.015 4.629 4.640 0.006 0.000 0.197 144 D C 2.077 178.372 176.300 -0.008 0.000 0.987 144 D CA 0.882 54.861 54.000 -0.036 0.000 0.829 144 D CB -0.233 40.533 40.800 -0.058 0.000 0.961 144 D HN 0.389 nan 8.370 nan 0.000 0.460 145 I N 0.425 120.991 120.570 -0.006 0.000 2.233 145 I HA -0.202 3.972 4.170 0.006 0.000 0.243 145 I C 2.385 178.500 176.117 -0.002 0.000 1.093 145 I CA 0.262 61.556 61.300 -0.009 0.000 1.380 145 I CB -0.148 37.863 38.000 0.019 0.000 1.067 145 I HN -0.037 nan 8.210 nan 0.000 0.413 146 L N 0.618 121.854 121.223 0.022 0.000 1.990 146 L HA -0.308 4.036 4.340 0.006 0.000 0.213 146 L C 2.541 179.431 176.870 0.034 0.000 1.072 146 L CA 2.081 56.938 54.840 0.028 0.000 0.755 146 L CB -1.096 40.987 42.059 0.040 0.000 0.889 146 L HN 0.267 nan 8.230 nan 0.000 0.432 147 Y N 0.208 120.469 120.300 -0.065 0.000 2.128 147 Y HA -0.308 4.246 4.550 0.006 0.000 0.284 147 Y C 2.763 178.605 175.900 -0.096 0.000 1.154 147 Y CA 2.226 60.288 58.100 -0.064 0.000 1.149 147 Y CB -0.212 38.201 38.460 -0.078 0.000 0.976 147 Y HN 0.159 nan 8.280 nan 0.000 0.505 148 R N -0.207 120.170 120.500 -0.204 0.000 2.066 148 R HA -0.127 4.217 4.340 0.006 0.000 0.232 148 R C 2.344 178.577 176.300 -0.112 0.000 1.131 148 R CA 1.895 57.731 56.100 -0.440 0.000 0.955 148 R CB -0.521 29.370 30.300 -0.682 0.000 0.851 148 R HN 0.373 nan 8.270 nan 0.000 0.432 149 L N 0.465 121.646 121.223 -0.070 0.000 2.083 149 L HA -0.214 4.130 4.340 0.006 0.000 0.209 149 L C 2.497 179.354 176.870 -0.021 0.000 1.083 149 L CA 1.430 56.260 54.840 -0.017 0.000 0.752 149 L CB -0.417 41.633 42.059 -0.015 0.000 0.899 149 L HN 0.282 nan 8.230 nan 0.000 0.433 150 Q N -0.660 119.109 119.800 -0.052 0.000 2.083 150 Q HA -0.215 4.129 4.340 0.006 0.000 0.198 150 Q C 2.280 178.239 176.000 -0.069 0.000 0.969 150 Q CA 1.524 57.295 55.803 -0.053 0.000 0.838 150 Q CB -0.132 28.577 28.738 -0.049 0.000 0.900 150 Q HN 0.483 nan 8.270 nan 0.000 0.436 151 M N 0.694 120.214 119.600 -0.134 0.000 2.086 151 M HA -0.178 4.305 4.480 0.006 0.000 0.261 151 M C 2.062 178.359 176.300 -0.005 0.000 1.067 151 M CA 2.040 57.266 55.300 -0.123 0.000 1.116 151 M CB 0.017 32.459 32.600 -0.264 0.000 1.348 151 M HN 0.187 nan 8.290 nan 0.000 0.407 152 S N -0.806 114.939 115.700 0.076 0.000 2.496 152 S HA 0.058 4.532 4.470 0.006 0.000 0.224 152 S C 0.722 175.335 174.600 0.021 0.000 0.996 152 S CA 0.325 58.566 58.200 0.068 0.000 0.927 152 S CB -0.368 62.929 63.200 0.162 0.000 0.774 152 S HN 0.590 nan 8.310 nan 0.000 0.524 153 K N 1.181 121.586 120.400 0.010 0.000 3.148 153 K HA -0.152 4.172 4.320 0.006 0.000 0.267 153 K C 0.180 176.783 176.600 0.004 0.000 0.996 153 K CA 0.209 56.496 56.287 -0.001 0.000 0.737 153 K CB -2.532 29.964 32.500 -0.007 0.000 1.308 153 K HN 0.668 nan 8.250 nan 0.000 0.470 154 A N 1.108 123.937 122.820 0.015 0.000 2.565 154 A HA -0.048 4.276 4.320 0.006 0.000 0.237 154 A C 1.131 178.714 177.584 -0.002 0.000 1.053 154 A CA 0.595 52.640 52.037 0.014 0.000 0.755 154 A CB 0.249 19.263 19.000 0.024 0.000 0.980 154 A HN 0.446 nan 8.150 nan 0.000 0.506 155 K N 0.688 121.087 120.400 -0.001 0.000 2.356 155 K HA 0.320 4.644 4.320 0.006 0.000 0.195 155 K C 0.477 177.068 176.600 -0.015 0.000 1.037 155 K CA 1.032 57.314 56.287 -0.008 0.000 1.014 155 K CB 0.262 32.762 32.500 -0.000 0.000 0.815 155 K HN 0.837 nan 8.250 nan 0.000 0.507 156 A N 0.847 123.662 122.820 -0.008 0.000 2.587 156 A HA 0.663 4.987 4.320 0.006 0.000 0.293 156 A C -1.754 175.828 177.584 -0.003 0.000 1.087 156 A CA -0.697 51.332 52.037 -0.013 0.000 0.692 156 A CB 1.308 20.312 19.000 0.006 0.000 1.291 156 A HN 0.160 nan 8.150 nan 0.000 0.407 157 I N 0.961 121.527 120.570 -0.006 0.000 2.582 157 I HA 0.661 4.835 4.170 0.006 0.000 0.292 157 I C -1.614 174.561 176.117 0.096 0.000 1.066 157 I CA -0.864 60.460 61.300 0.041 0.000 1.053 157 I CB 2.081 40.112 38.000 0.051 0.000 1.241 157 I HN 0.370 nan 8.210 nan 0.000 0.421 158 V N 7.550 127.516 119.914 0.087 0.000 2.334 158 V HA 0.830 4.954 4.120 0.006 0.000 0.281 158 V C 0.131 176.282 176.094 0.095 0.000 1.016 158 V CA -0.211 62.132 62.300 0.071 0.000 0.832 158 V CB 0.772 32.545 31.823 -0.082 0.000 0.999 158 V HN 0.828 nan 8.190 nan 0.000 0.439 159 A N 3.788 126.710 122.820 0.169 0.000 2.485 159 A HA 1.019 5.342 4.320 0.006 0.000 0.292 159 A C 0.119 177.683 177.584 -0.033 0.000 1.147 159 A CA -0.127 51.966 52.037 0.093 0.000 0.750 159 A CB 1.916 21.017 19.000 0.168 0.000 1.331 159 A HN 0.932 nan 8.150 nan 0.000 0.419 160 G N -1.163 107.606 108.800 -0.052 0.000 2.820 160 G HA2 0.470 4.434 3.960 0.006 0.000 0.291 160 G HA3 0.470 4.434 3.960 0.006 0.000 0.291 160 G C -0.338 174.481 174.900 -0.136 0.000 1.323 160 G CA -0.189 44.864 45.100 -0.078 0.000 1.055 160 G HN 0.494 nan 8.290 nan 0.000 0.520 161 D N -0.337 120.000 120.400 -0.106 0.000 2.182 161 D HA -0.091 4.553 4.640 0.006 0.000 0.201 161 D C 2.212 178.464 176.300 -0.079 0.000 0.986 161 D CA 1.076 55.009 54.000 -0.112 0.000 0.847 161 D CB 0.130 40.894 40.800 -0.060 0.000 0.942 161 D HN 0.467 nan 8.370 nan 0.000 0.467 162 E N -0.070 120.107 120.200 -0.039 0.000 2.085 162 E HA -0.135 4.219 4.350 0.006 0.000 0.194 162 E C 2.062 178.651 176.600 -0.019 0.000 0.994 162 E CA 1.023 57.415 56.400 -0.014 0.000 0.801 162 E CB -0.037 29.671 29.700 0.014 0.000 0.743 162 E HN 0.356 nan 8.360 nan 0.000 0.453 163 V N -1.729 118.170 119.914 -0.026 0.000 3.528 163 V HA 0.266 4.390 4.120 0.006 0.000 0.294 163 V C 1.715 177.805 176.094 -0.006 0.000 1.404 163 V CA -0.176 62.123 62.300 -0.001 0.000 1.065 163 V CB -0.349 31.496 31.823 0.037 0.000 0.904 163 V HN 0.202 nan 8.190 nan 0.000 0.435 164 I N 0.893 121.395 120.570 -0.113 0.000 2.091 164 I HA -0.382 3.792 4.170 0.006 0.000 0.240 164 I C 2.588 178.734 176.117 0.048 0.000 1.046 164 I CA 2.813 64.005 61.300 -0.180 0.000 1.306 164 I CB 0.021 37.807 38.000 -0.357 0.000 1.018 164 I HN 0.533 nan 8.210 nan 0.000 0.404 165 Q N 0.056 119.866 119.800 0.017 0.000 2.167 165 Q HA -0.277 4.067 4.340 0.006 0.000 0.202 165 Q C 1.991 178.033 176.000 0.070 0.000 0.970 165 Q CA 1.713 57.547 55.803 0.052 0.000 0.855 165 Q CB 0.042 28.792 28.738 0.020 0.000 0.911 165 Q HN 0.510 nan 8.270 nan 0.000 0.438 166 E N -0.383 119.851 120.200 0.057 0.000 2.051 166 E HA -0.139 4.214 4.350 0.006 0.000 0.192 166 E C 1.939 178.590 176.600 0.086 0.000 0.991 166 E CA 1.361 57.794 56.400 0.054 0.000 0.799 166 E CB -0.092 29.630 29.700 0.037 0.000 0.748 166 E HN 0.191 nan 8.360 nan 0.000 0.449 167 V N 1.394 121.394 119.914 0.144 0.000 2.295 167 V HA -0.232 3.891 4.120 0.006 0.000 0.246 167 V C 1.480 177.677 176.094 0.171 0.000 1.049 167 V CA 1.999 64.413 62.300 0.189 0.000 1.024 167 V CB -0.476 31.566 31.823 0.365 0.000 0.648 167 V HN 0.209 nan 8.190 nan 0.000 0.447 168 D N -0.210 120.326 120.400 0.228 0.000 2.264 168 D HA -0.105 4.539 4.640 0.006 0.000 0.208 168 D C 2.223 178.580 176.300 0.096 0.000 0.966 168 D CA 1.360 55.467 54.000 0.178 0.000 0.864 168 D CB -0.234 40.711 40.800 0.242 0.000 0.933 168 D HN 0.383 nan 8.370 nan 0.000 0.499 169 T N -0.157 114.445 114.554 0.080 0.000 2.915 169 T HA -0.077 4.277 4.350 0.006 0.000 0.269 169 T C 1.901 176.624 174.700 0.038 0.000 1.071 169 T CA 1.304 63.434 62.100 0.050 0.000 1.132 169 T CB 0.182 69.074 68.868 0.040 0.000 0.878 169 T HN 0.206 nan 8.240 nan 0.000 0.479 170 V N -1.958 117.980 119.914 0.039 0.000 3.502 170 V HA 0.643 4.767 4.120 0.006 0.000 0.288 170 V C 2.267 178.368 176.094 0.012 0.000 1.461 170 V CA 0.291 62.606 62.300 0.025 0.000 1.029 170 V CB -0.555 31.283 31.823 0.025 0.000 0.843 170 V HN 0.261 nan 8.190 nan 0.000 0.438 171 A N 2.367 125.192 122.820 0.008 0.000 1.948 171 A HA -0.193 4.131 4.320 0.006 0.000 0.220 171 A C 2.486 180.050 177.584 -0.034 0.000 1.177 171 A CA 2.669 54.689 52.037 -0.029 0.000 0.636 171 A CB -0.933 18.026 19.000 -0.067 0.000 0.815 171 A HN 1.104 nan 8.150 nan 0.000 0.449 172 S N -0.292 115.396 115.700 -0.020 0.000 2.474 172 S HA -0.087 4.387 4.470 0.006 0.000 0.235 172 S C 1.228 175.820 174.600 -0.013 0.000 0.997 172 S CA 1.137 59.325 58.200 -0.019 0.000 0.949 172 S CB -0.392 62.803 63.200 -0.009 0.000 0.766 172 S HN 0.672 nan 8.310 nan 0.000 0.517 173 E N -0.067 120.129 120.200 -0.007 0.000 2.494 173 E HA 0.122 4.476 4.350 0.006 0.000 0.193 173 E C -0.592 176.003 176.600 -0.008 0.000 1.074 173 E CA -0.157 56.241 56.400 -0.004 0.000 0.867 173 E CB 0.035 29.738 29.700 0.004 0.000 0.924 173 E HN 0.482 nan 8.360 nan 0.000 0.502 174 C N 2.246 121.536 119.300 -0.017 0.000 2.357 174 C HA 0.221 4.685 4.460 0.006 0.000 0.300 174 C C -1.133 173.842 174.990 -0.025 0.000 1.074 174 C CA -1.368 57.637 59.018 -0.021 0.000 1.566 174 C CB 0.372 28.096 27.740 -0.026 0.000 1.791 174 C HN 0.291 nan 8.230 nan 0.000 0.415 175 P HA -0.040 nan 4.420 nan 0.000 0.225 175 P C 1.250 178.538 177.300 -0.021 0.000 1.156 175 P CA 1.138 64.226 63.100 -0.020 0.000 0.787 175 P CB 0.251 31.943 31.700 -0.014 0.000 0.802 176 S N -0.329 115.359 115.700 -0.020 0.000 2.461 176 S HA 0.011 4.485 4.470 0.006 0.000 0.228 176 S C 0.900 175.485 174.600 -0.026 0.000 1.005 176 S CA -0.188 58.001 58.200 -0.019 0.000 0.942 176 S CB -0.685 62.507 63.200 -0.013 0.000 0.776 176 S HN 0.081 nan 8.310 nan 0.000 0.514 177 L N 2.981 124.183 121.223 -0.035 0.000 2.530 177 L HA 0.182 4.526 4.340 0.006 0.000 0.273 177 L C 1.081 177.914 176.870 -0.062 0.000 1.141 177 L CA 0.477 55.286 54.840 -0.052 0.000 0.905 177 L CB 0.198 42.215 42.059 -0.070 0.000 1.202 177 L HN -0.011 nan 8.230 nan 0.000 0.473 178 R N 4.205 124.671 120.500 -0.057 0.000 2.316 178 R HA 0.335 4.679 4.340 0.006 0.000 0.201 178 R C -0.331 175.928 176.300 -0.068 0.000 0.888 178 R CA -0.035 56.032 56.100 -0.054 0.000 1.041 178 R CB 0.607 30.889 30.300 -0.031 0.000 1.115 178 R HN 0.510 nan 8.270 nan 0.000 0.559 179 I N 2.091 122.617 120.570 -0.074 0.000 2.498 179 I HA 0.329 4.503 4.170 0.006 0.000 0.290 179 I C -1.051 174.987 176.117 -0.131 0.000 1.032 179 I CA -0.696 60.560 61.300 -0.074 0.000 1.073 179 I CB 1.973 39.963 38.000 -0.017 0.000 1.251 179 I HN 0.017 nan 8.210 nan 0.000 0.426 180 K N 7.135 127.412 120.400 -0.204 0.000 2.483 180 K HA 0.597 4.921 4.320 0.006 0.000 0.256 180 K C -1.108 175.503 176.600 0.019 0.000 0.961 180 K CA -0.632 55.447 56.287 -0.347 0.000 0.873 180 K CB 2.439 34.290 32.500 -1.081 0.000 1.107 180 K HN 0.424 nan 8.250 nan 0.000 0.432 181 L N 4.017 125.378 121.223 0.230 0.000 2.287 181 L HA 0.383 4.727 4.340 0.006 0.000 0.287 181 L C -0.761 176.394 176.870 0.475 0.000 1.022 181 L CA -1.080 53.967 54.840 0.345 0.000 0.814 181 L CB 1.113 43.322 42.059 0.252 0.000 1.217 181 L HN 0.367 nan 8.230 nan 0.000 0.420 182 L N 5.021 126.507 121.223 0.438 0.000 2.282 182 L HA 0.470 4.814 4.340 0.006 0.000 0.288 182 L C -0.508 176.440 176.870 0.129 0.000 1.033 182 L CA -0.201 54.734 54.840 0.159 0.000 0.807 182 L CB 1.711 43.734 42.059 -0.060 0.000 1.209 182 L HN 0.233 nan 8.230 nan 0.000 0.423 183 V N 4.914 124.851 119.914 0.039 0.000 2.348 183 V HA 0.715 4.839 4.120 0.006 0.000 0.270 183 V C 0.156 176.262 176.094 0.020 0.000 1.037 183 V CA -0.031 62.303 62.300 0.057 0.000 0.872 183 V CB 0.406 32.205 31.823 -0.039 0.000 1.002 183 V HN 0.873 nan 8.190 nan 0.000 0.464 184 S N 2.912 118.639 115.700 0.044 0.000 2.595 184 S HA 0.360 4.834 4.470 0.006 0.000 0.270 184 S C 0.232 174.851 174.600 0.031 0.000 1.145 184 S CA -0.550 57.658 58.200 0.013 0.000 0.825 184 S CB 2.000 65.178 63.200 -0.038 0.000 1.107 184 S HN 0.602 nan 8.310 nan 0.000 0.461 185 E N 1.197 121.411 120.200 0.024 0.000 2.358 185 E HA 0.140 4.494 4.350 0.006 0.000 0.195 185 E C -0.138 176.473 176.600 0.019 0.000 1.010 185 E CA 0.764 57.181 56.400 0.028 0.000 0.856 185 E CB 0.022 29.741 29.700 0.032 0.000 0.795 185 E HN 0.418 nan 8.360 nan 0.000 0.504 186 K N 0.521 120.924 120.400 0.005 0.000 2.130 186 K HA 0.340 4.663 4.320 0.006 0.000 0.268 186 K C 0.035 176.634 176.600 -0.001 0.000 0.983 186 K CA -0.289 55.997 56.287 -0.003 0.000 0.893 186 K CB 1.712 34.199 32.500 -0.021 0.000 1.066 186 K HN -0.205 nan 8.250 nan 0.000 0.450 187 S N 0.760 116.467 115.700 0.012 0.000 2.610 187 S HA 0.347 4.821 4.470 0.006 0.000 0.273 187 S C -0.865 173.745 174.600 0.017 0.000 1.274 187 S CA -0.681 57.535 58.200 0.026 0.000 1.023 187 S CB 0.791 64.015 63.200 0.041 0.000 0.962 187 S HN 0.675 nan 8.310 nan 0.000 0.523 188 C N 2.954 122.279 119.300 0.040 0.000 2.783 188 C HA 0.444 4.907 4.460 0.006 0.000 0.312 188 C C -1.140 173.948 174.990 0.164 0.000 1.182 188 C CA -0.991 58.057 59.018 0.051 0.000 1.432 188 C CB 0.861 28.558 27.740 -0.071 0.000 1.933 188 C HN 0.828 nan 8.230 nan 0.000 0.473 189 D N 1.956 122.448 120.400 0.153 0.000 2.455 189 D HA 0.420 5.064 4.640 0.006 0.000 0.241 189 D C 1.216 177.668 176.300 0.253 0.000 1.138 189 D CA 2.178 56.276 54.000 0.163 0.000 0.877 189 D CB 1.058 41.922 40.800 0.107 0.000 1.187 189 D HN 1.334 nan 8.370 nan 0.000 0.451 190 G N 1.697 110.601 108.800 0.174 0.000 2.195 190 G HA2 -0.259 3.705 3.960 0.006 0.000 0.246 190 G HA3 -0.259 3.705 3.960 0.006 0.000 0.246 190 G C -0.312 174.591 174.900 0.006 0.000 0.984 190 G CA -0.157 44.990 45.100 0.078 0.000 0.633 190 G HN 0.434 nan 8.290 nan 0.000 0.525 191 W N 0.558 121.875 121.300 0.028 0.000 2.656 191 W HA 0.748 5.413 4.660 0.007 0.000 0.327 191 W C 0.368 176.912 176.519 0.042 0.000 1.041 191 W CA -1.060 56.306 57.345 0.036 0.000 1.229 191 W CB 0.983 30.465 29.460 0.038 0.000 1.397 191 W HN 0.066 nan 8.180 nan 0.000 0.479 192 L N 3.683 125.067 121.223 0.268 0.000 2.416 192 L HA 0.133 4.477 4.340 0.006 0.000 0.272 192 L C 0.797 177.803 176.870 0.228 0.000 1.161 192 L CA -0.302 54.654 54.840 0.193 0.000 0.845 192 L CB 0.275 42.418 42.059 0.140 0.000 1.119 192 L HN 0.394 nan 8.230 nan 0.000 0.464 193 N N 2.443 121.240 118.700 0.160 0.000 2.402 193 N HA -0.043 4.700 4.740 0.006 0.000 0.252 193 N C 0.512 176.109 175.510 0.146 0.000 1.118 193 N CA 0.092 53.230 53.050 0.146 0.000 0.945 193 N CB 0.537 39.078 38.487 0.089 0.000 1.147 193 N HN 0.534 nan 8.380 nan 0.000 0.495 194 F N 5.135 125.124 119.950 0.066 0.000 2.113 194 F HA -0.055 4.476 4.527 0.006 0.000 0.297 194 F C 1.804 177.626 175.800 0.037 0.000 1.103 194 F CA 1.457 59.488 58.000 0.051 0.000 1.248 194 F CB 0.220 39.250 39.000 0.052 0.000 0.999 194 F HN 0.462 nan 8.300 nan 0.000 0.475 195 K N 0.039 120.496 120.400 0.095 0.000 2.057 195 K HA -0.194 4.130 4.320 0.006 0.000 0.207 195 K C 2.399 178.944 176.600 -0.092 0.000 1.049 195 K CA 1.616 57.900 56.287 -0.005 0.000 0.931 195 K CB -0.289 32.266 32.500 0.092 0.000 0.714 195 K HN 0.087 nan 8.250 nan 0.000 0.440 196 K N 1.251 121.621 120.400 -0.050 0.000 2.025 196 K HA -0.012 4.312 4.320 0.006 0.000 0.207 196 K C 2.091 178.637 176.600 -0.090 0.000 1.049 196 K CA 0.835 57.095 56.287 -0.046 0.000 0.933 196 K CB -0.522 31.973 32.500 -0.008 0.000 0.714 196 K HN 0.195 nan 8.250 nan 0.000 0.438 197 L N 0.328 121.476 121.223 -0.126 0.000 2.056 197 L HA -0.080 4.264 4.340 0.006 0.000 0.207 197 L C 2.584 179.322 176.870 -0.221 0.000 1.078 197 L CA 1.194 55.947 54.840 -0.145 0.000 0.749 197 L CB -0.524 41.460 42.059 -0.126 0.000 0.901 197 L HN 0.248 nan 8.230 nan 0.000 0.433 198 L N 0.425 121.410 121.223 -0.397 0.000 2.013 198 L HA -0.266 4.078 4.340 0.006 0.000 0.212 198 L C 2.015 178.780 176.870 -0.176 0.000 1.073 198 L CA 1.996 56.605 54.840 -0.384 0.000 0.753 198 L CB -0.687 41.039 42.059 -0.555 0.000 0.890 198 L HN 0.222 nan 8.230 nan 0.000 0.432 199 N N -0.489 118.132 118.700 -0.132 0.000 2.381 199 N HA -0.143 4.601 4.740 0.006 0.000 0.182 199 N C 1.556 177.032 175.510 -0.057 0.000 1.025 199 N CA 1.206 54.214 53.050 -0.070 0.000 0.888 199 N CB -0.022 38.436 38.487 -0.050 0.000 0.965 199 N HN 0.553 nan 8.380 nan 0.000 0.438 200 E N -0.272 119.888 120.200 -0.066 0.000 2.318 200 E HA 0.157 4.511 4.350 0.006 0.000 0.193 200 E C 0.319 176.894 176.600 -0.043 0.000 0.998 200 E CA -0.076 56.296 56.400 -0.047 0.000 0.859 200 E CB 0.226 29.900 29.700 -0.043 0.000 0.812 200 E HN 0.280 nan 8.360 nan 0.000 0.492 201 A N 1.452 124.237 122.820 -0.058 0.000 2.425 201 A HA 0.168 4.491 4.320 0.006 0.000 0.242 201 A C 0.371 177.938 177.584 -0.028 0.000 1.077 201 A CA -0.159 51.852 52.037 -0.044 0.000 0.781 201 A CB 0.708 19.671 19.000 -0.061 0.000 1.020 201 A HN 0.094 nan 8.150 nan 0.000 0.494 202 S N -0.231 115.458 115.700 -0.019 0.000 2.572 202 S HA 0.222 4.696 4.470 0.006 0.000 0.279 202 S C 1.468 176.063 174.600 -0.009 0.000 1.341 202 S CA 0.258 58.448 58.200 -0.017 0.000 1.043 202 S CB 0.317 63.502 63.200 -0.025 0.000 0.887 202 S HN 1.273 nan 8.310 nan 0.000 0.516 203 T N 1.025 115.575 114.554 -0.006 0.000 3.148 203 T HA 0.168 4.521 4.350 0.006 0.000 0.253 203 T C 0.386 175.089 174.700 0.006 0.000 1.134 203 T CA 0.003 62.106 62.100 0.006 0.000 1.051 203 T CB -0.374 68.500 68.868 0.010 0.000 0.959 203 T HN 0.469 nan 8.240 nan 0.000 0.525 204 T N 2.790 117.333 114.554 -0.019 0.000 2.772 204 T HA 0.345 4.699 4.350 0.006 0.000 0.288 204 T C -1.173 173.468 174.700 -0.100 0.000 0.994 204 T CA -0.625 61.438 62.100 -0.061 0.000 0.951 204 T CB 0.916 69.724 68.868 -0.101 0.000 0.933 204 T HN 0.408 nan 8.240 nan 0.000 0.447 205 H N 2.713 121.676 119.070 -0.178 0.000 2.667 205 H HA 0.300 4.860 4.556 0.007 0.000 0.353 205 H C -0.934 174.299 175.328 -0.159 0.000 1.072 205 H CA -0.567 55.368 56.048 -0.189 0.000 1.214 205 H CB 1.075 30.795 29.762 -0.070 0.000 1.600 205 H HN 0.720 nan 8.280 nan 0.000 0.527 206 H N 3.450 122.236 119.070 -0.474 0.000 2.782 206 H HA 0.119 4.678 4.556 0.006 0.000 0.285 206 H C 0.361 175.518 175.328 -0.285 0.000 1.093 206 H CA -0.373 55.509 56.048 -0.277 0.000 1.410 206 H CB 0.466 30.100 29.762 -0.212 0.000 1.439 206 H HN 0.432 nan 8.280 nan 0.000 0.469 207 C N 4.780 124.145 119.300 0.108 0.000 2.611 207 C HA 0.017 4.481 4.460 0.006 0.000 0.416 207 C C 0.803 175.832 174.990 0.064 0.000 1.366 207 C CA -0.491 58.621 59.018 0.157 0.000 1.761 207 C CB -0.869 26.931 27.740 0.102 0.000 2.619 207 C HN 0.592 nan 8.230 nan 0.000 0.606 208 V N 7.694 127.657 119.914 0.083 0.000 2.585 208 V HA 0.068 4.191 4.120 0.006 0.000 0.296 208 V C 0.855 176.916 176.094 -0.055 0.000 1.035 208 V CA 0.428 62.736 62.300 0.013 0.000 1.084 208 V CB 0.783 32.623 31.823 0.029 0.000 0.953 208 V HN 0.816 nan 8.190 nan 0.000 0.483 209 E N 3.492 123.656 120.200 -0.060 0.000 2.053 209 E HA 0.052 4.406 4.350 0.006 0.000 0.297 209 E C 0.547 177.079 176.600 -0.113 0.000 1.173 209 E CA -0.164 56.187 56.400 -0.082 0.000 1.219 209 E CB -0.286 29.380 29.700 -0.057 0.000 1.103 209 E HN 0.858 nan 8.360 nan 0.000 0.476 210 T N -1.203 113.221 114.554 -0.217 0.000 2.918 210 T HA 0.309 4.663 4.350 0.006 0.000 0.302 210 T C 0.795 175.389 174.700 -0.178 0.000 1.045 210 T CA -0.789 61.111 62.100 -0.333 0.000 1.114 210 T CB 1.648 69.930 68.868 -0.977 0.000 0.965 210 T HN 0.240 nan 8.240 nan 0.000 0.540 211 G N 0.905 109.676 108.800 -0.048 0.000 2.444 211 G HA2 0.376 4.340 3.960 0.006 0.000 0.268 211 G HA3 0.376 4.340 3.960 0.006 0.000 0.268 211 G C 0.930 175.938 174.900 0.180 0.000 1.203 211 G CA -0.743 44.395 45.100 0.065 0.000 0.835 211 G HN 0.726 nan 8.290 nan 0.000 0.543 212 S N 0.362 116.172 115.700 0.183 0.000 2.374 212 S HA -0.132 4.342 4.470 0.006 0.000 0.227 212 S C 2.215 176.926 174.600 0.186 0.000 1.037 212 S CA 1.277 59.607 58.200 0.217 0.000 1.024 212 S CB -0.047 63.236 63.200 0.138 0.000 0.861 212 S HN 0.608 nan 8.310 nan 0.000 0.456 213 Q N 0.604 120.482 119.800 0.130 0.000 2.360 213 Q HA 0.232 4.576 4.340 0.006 0.000 0.202 213 Q C 0.479 176.533 176.000 0.090 0.000 0.915 213 Q CA 0.038 55.887 55.803 0.077 0.000 0.943 213 Q CB -0.112 28.646 28.738 0.033 0.000 1.064 213 Q HN 0.640 nan 8.270 nan 0.000 0.511 214 E N 0.828 121.141 120.200 0.188 0.000 2.360 214 E HA 0.309 4.663 4.350 0.006 0.000 0.269 214 E C -0.620 176.081 176.600 0.168 0.000 1.022 214 E CA -0.264 56.263 56.400 0.212 0.000 0.887 214 E CB 0.724 30.607 29.700 0.305 0.000 0.990 214 E HN 0.170 nan 8.360 nan 0.000 0.426 215 A N 3.575 126.426 122.820 0.051 0.000 2.546 215 A HA 0.031 4.355 4.320 0.006 0.000 0.243 215 A C 0.763 178.219 177.584 -0.214 0.000 1.063 215 A CA 0.645 52.633 52.037 -0.082 0.000 0.757 215 A CB 0.668 19.623 19.000 -0.075 0.000 0.991 215 A HN 0.650 nan 8.150 nan 0.000 0.503 216 S N 0.913 116.334 115.700 -0.465 0.000 2.741 216 S HA 0.546 5.020 4.470 0.006 0.000 0.245 216 S C 0.531 174.720 174.600 -0.685 0.000 1.083 216 S CA 0.861 58.623 58.200 -0.730 0.000 0.873 216 S CB 0.014 62.527 63.200 -1.144 0.000 0.814 216 S HN 1.737 nan 8.310 nan 0.000 0.476 217 A N 0.717 123.156 122.820 -0.635 0.000 2.556 217 A HA 0.792 5.116 4.320 0.006 0.000 0.294 217 A C -1.571 175.777 177.584 -0.394 0.000 1.091 217 A CA -0.601 50.911 52.037 -0.875 0.000 0.704 217 A CB 1.126 19.443 19.000 -1.139 0.000 1.300 217 A HN 0.375 nan 8.150 nan 0.000 0.406 218 I N 1.159 121.493 120.570 -0.394 0.000 2.468 218 I HA 0.314 4.487 4.170 0.006 0.000 0.285 218 I C -1.662 174.319 176.117 -0.226 0.000 1.039 218 I CA -0.250 60.918 61.300 -0.220 0.000 1.074 218 I CB 1.680 39.534 38.000 -0.243 0.000 1.228 218 I HN 0.648 nan 8.210 nan 0.000 0.436 219 Y N 5.555 125.848 120.300 -0.012 0.000 2.331 219 Y HA 0.428 4.982 4.550 0.006 0.000 0.338 219 Y C -0.058 175.897 175.900 0.092 0.000 0.976 219 Y CA -0.404 57.764 58.100 0.114 0.000 1.137 219 Y CB 1.221 39.776 38.460 0.158 0.000 1.172 219 Y HN 0.331 nan 8.280 nan 0.000 0.478 220 F N 1.813 121.916 119.950 0.255 0.000 2.471 220 F HA 0.327 4.858 4.527 0.006 0.000 0.353 220 F C 0.805 176.751 175.800 0.244 0.000 1.113 220 F CA 0.507 58.646 58.000 0.232 0.000 1.262 220 F CB 0.962 40.089 39.000 0.212 0.000 1.146 220 F HN 0.264 nan 8.300 nan 0.000 0.578 221 T N 2.510 117.278 114.554 0.358 0.000 3.032 221 T HA 0.331 4.685 4.350 0.006 0.000 0.312 221 T C -0.660 174.148 174.700 0.181 0.000 1.078 221 T CA -0.642 61.610 62.100 0.253 0.000 1.028 221 T CB 0.776 69.778 68.868 0.222 0.000 1.091 221 T HN 0.523 nan 8.240 nan 0.000 0.457 222 S N 2.322 118.110 115.700 0.148 0.000 2.576 222 S HA 0.629 5.103 4.470 0.006 0.000 0.276 222 S C 0.678 175.312 174.600 0.057 0.000 1.339 222 S CA -0.333 57.926 58.200 0.099 0.000 1.039 222 S CB 0.966 64.223 63.200 0.095 0.000 0.902 222 S HN 0.927 nan 8.310 nan 0.000 0.516 223 G N 0.061 108.876 108.800 0.025 0.000 2.644 223 G HA2 0.428 4.392 3.960 0.006 0.000 0.307 223 G HA3 0.428 4.392 3.960 0.006 0.000 0.307 223 G C 0.660 175.563 174.900 0.004 0.000 1.250 223 G CA -0.405 44.696 45.100 0.001 0.000 0.996 223 G HN 0.581 nan 8.290 nan 0.000 0.489 224 T N -1.182 113.371 114.554 -0.002 0.000 2.962 224 T HA 0.106 4.460 4.350 0.006 0.000 0.270 224 T C 1.034 175.732 174.700 -0.004 0.000 1.088 224 T CA 1.711 63.810 62.100 -0.001 0.000 1.127 224 T CB -0.436 68.427 68.868 -0.008 0.000 0.883 224 T HN 1.145 nan 8.240 nan 0.000 0.493 225 S N -1.705 113.991 115.700 -0.007 0.000 2.570 225 S HA 0.641 5.115 4.470 0.006 0.000 0.270 225 S C 0.171 174.765 174.600 -0.009 0.000 1.149 225 S CA -0.029 58.167 58.200 -0.008 0.000 0.837 225 S CB 1.354 64.550 63.200 -0.006 0.000 1.124 225 S HN 0.966 nan 8.310 nan 0.000 0.465 226 G N 0.728 109.521 108.800 -0.011 0.000 2.645 226 G HA2 -0.097 3.866 3.960 0.006 0.000 0.239 226 G HA3 -0.097 3.866 3.960 0.006 0.000 0.239 226 G C -0.892 173.991 174.900 -0.027 0.000 1.331 226 G CA -0.115 44.979 45.100 -0.010 0.000 0.890 226 G HN 1.218 nan 8.290 nan 0.000 0.572 227 L N 0.844 122.055 121.223 -0.020 0.000 2.332 227 L HA 0.549 4.893 4.340 0.006 0.000 0.269 227 L C -1.916 174.990 176.870 0.059 0.000 1.016 227 L CA -2.100 52.682 54.840 -0.097 0.000 0.809 227 L CB 1.763 43.621 42.059 -0.335 0.000 1.280 227 L HN 0.385 nan 8.230 nan 0.000 0.447 228 P HA 0.061 nan 4.420 nan 0.000 0.265 228 P C -1.192 176.338 177.300 0.383 0.000 1.187 228 P CA 0.111 63.375 63.100 0.274 0.000 0.766 228 P CB 0.383 32.319 31.700 0.395 0.000 0.820 229 K N 2.087 122.588 120.400 0.168 0.000 2.106 229 K HA 0.490 4.814 4.320 0.006 0.000 0.246 229 K C 0.096 176.702 176.600 0.011 0.000 0.987 229 K CA -0.656 55.647 56.287 0.028 0.000 0.904 229 K CB 0.860 33.153 32.500 -0.345 0.000 1.071 229 K HN 0.420 nan 8.250 nan 0.000 0.453 230 M N 2.100 121.643 119.600 -0.095 0.000 2.069 230 M HA 0.228 4.712 4.480 0.006 0.000 0.349 230 M C -0.538 175.813 176.300 0.086 0.000 1.194 230 M CA -0.515 54.602 55.300 -0.304 0.000 1.081 230 M CB 1.316 33.650 32.600 -0.444 0.000 1.500 230 M HN 0.603 nan 8.290 nan 0.000 0.438 231 A N 3.760 126.681 122.820 0.169 0.000 2.279 231 A HA 0.301 4.625 4.320 0.006 0.000 0.306 231 A C -0.168 177.522 177.584 0.177 0.000 1.300 231 A CA -0.462 51.775 52.037 0.333 0.000 0.925 231 A CB 0.154 19.301 19.000 0.244 0.000 1.152 231 A HN 0.804 nan 8.150 nan 0.000 0.544 232 E N 2.569 122.809 120.200 0.065 0.000 2.227 232 E HA 0.293 4.647 4.350 0.006 0.000 0.282 232 E C -0.928 175.569 176.600 -0.171 0.000 1.015 232 E CA -0.414 55.930 56.400 -0.093 0.000 0.823 232 E CB 0.509 30.104 29.700 -0.176 0.000 1.081 232 E HN 0.789 nan 8.360 nan 0.000 0.396 233 H N 1.394 120.424 119.070 -0.067 0.000 2.569 233 H HA 0.247 4.807 4.556 0.006 0.000 0.357 233 H C -0.175 175.057 175.328 -0.160 0.000 1.153 233 H CA -0.532 55.472 56.048 -0.073 0.000 1.193 233 H CB 2.046 31.788 29.762 -0.033 0.000 1.602 233 H HN 0.631 nan 8.280 nan 0.000 0.523 234 S N 1.201 116.916 115.700 0.026 0.000 2.730 234 S HA 0.140 4.614 4.470 0.006 0.000 0.284 234 S C 0.932 175.504 174.600 -0.046 0.000 1.153 234 S CA -0.548 57.629 58.200 -0.038 0.000 0.995 234 S CB 0.632 63.851 63.200 0.032 0.000 1.058 234 S HN 0.545 nan 8.310 nan 0.000 0.552 235 Y N 1.040 121.431 120.300 0.152 0.000 2.207 235 Y HA -0.139 4.415 4.550 0.006 0.000 0.287 235 Y C 3.150 179.194 175.900 0.239 0.000 1.156 235 Y CA 1.883 60.142 58.100 0.264 0.000 1.182 235 Y CB -0.602 38.049 38.460 0.318 0.000 0.979 235 Y HN 0.836 nan 8.280 nan 0.000 0.521 236 S N -1.468 114.349 115.700 0.196 0.000 2.406 236 S HA -0.128 4.346 4.470 0.006 0.000 0.224 236 S C 2.124 176.682 174.600 -0.069 0.000 1.030 236 S CA 0.591 58.735 58.200 -0.093 0.000 0.958 236 S CB -0.902 62.241 63.200 -0.096 0.000 0.811 236 S HN 0.444 nan 8.310 nan 0.000 0.489 237 S N 1.709 117.425 115.700 0.027 0.000 2.447 237 S HA 0.106 4.579 4.470 0.006 0.000 0.233 237 S C 1.673 176.284 174.600 0.018 0.000 1.006 237 S CA 0.712 58.954 58.200 0.071 0.000 0.957 237 S CB -0.645 62.677 63.200 0.203 0.000 0.773 237 S HN 0.536 nan 8.310 nan 0.000 0.507 238 L N 0.297 121.516 121.223 -0.006 0.000 2.276 238 L HA 0.340 4.684 4.340 0.006 0.000 0.194 238 L C 3.004 179.886 176.870 0.020 0.000 1.099 238 L CA 0.813 55.616 54.840 -0.062 0.000 0.800 238 L CB -1.134 40.899 42.059 -0.042 0.000 0.994 238 L HN 0.448 nan 8.230 nan 0.000 0.475 239 G N -0.013 108.887 108.800 0.166 0.000 2.394 239 G HA2 -0.197 3.767 3.960 0.006 0.000 0.215 239 G HA3 -0.197 3.767 3.960 0.006 0.000 0.215 239 G C 1.501 176.550 174.900 0.247 0.000 1.165 239 G CA 0.406 45.792 45.100 0.477 0.000 0.784 239 G HN 0.118 nan 8.290 nan 0.000 0.535 240 L N 0.741 121.695 121.223 -0.449 0.000 2.072 240 L HA 0.171 4.515 4.340 0.006 0.000 0.205 240 L C 2.592 179.357 176.870 -0.175 0.000 1.079 240 L CA 2.029 56.507 54.840 -0.604 0.000 0.752 240 L CB -0.494 41.044 42.059 -0.870 0.000 0.906 240 L HN 0.180 nan 8.230 nan 0.000 0.436 241 K N 0.287 120.610 120.400 -0.128 0.000 2.032 241 K HA -0.100 4.224 4.320 0.006 0.000 0.209 241 K C 1.998 178.583 176.600 -0.024 0.000 1.048 241 K CA 1.864 58.098 56.287 -0.088 0.000 0.927 241 K CB -0.742 31.701 32.500 -0.095 0.000 0.712 241 K HN 0.369 nan 8.250 nan 0.000 0.441 242 A N 0.870 123.719 122.820 0.048 0.000 1.902 242 A HA -0.192 4.131 4.320 0.006 0.000 0.217 242 A C 2.187 179.906 177.584 0.225 0.000 1.181 242 A CA 1.985 54.106 52.037 0.140 0.000 0.623 242 A CB -0.611 18.492 19.000 0.171 0.000 0.818 242 A HN 0.443 nan 8.150 nan 0.000 0.443 243 K N -0.907 119.651 120.400 0.264 0.000 2.097 243 K HA -0.101 4.223 4.320 0.006 0.000 0.206 243 K C 2.046 178.737 176.600 0.150 0.000 1.049 243 K CA 1.675 58.113 56.287 0.252 0.000 0.933 243 K CB -0.235 32.420 32.500 0.258 0.000 0.717 243 K HN 0.536 nan 8.250 nan 0.000 0.442 244 M N 0.571 120.219 119.600 0.079 0.000 2.175 244 M HA -0.134 4.350 4.480 0.006 0.000 0.264 244 M C 0.995 177.324 176.300 0.048 0.000 1.063 244 M CA 1.330 56.652 55.300 0.036 0.000 1.119 244 M CB 0.018 32.603 32.600 -0.026 0.000 1.377 244 M HN 0.023 nan 8.290 nan 0.000 0.415 245 D N 0.872 121.308 120.400 0.059 0.000 2.355 245 D HA 0.140 4.783 4.640 0.006 0.000 0.218 245 D C 0.431 176.889 176.300 0.264 0.000 1.004 245 D CA 0.233 54.295 54.000 0.103 0.000 0.880 245 D CB -0.151 40.666 40.800 0.027 0.000 0.911 245 D HN 0.188 nan 8.370 nan 0.000 0.528 246 A N 0.128 123.083 122.820 0.225 0.000 2.573 246 A HA 0.369 4.693 4.320 0.006 0.000 0.250 246 A C 1.607 179.303 177.584 0.186 0.000 1.049 246 A CA 1.024 53.198 52.037 0.228 0.000 0.767 246 A CB -0.251 18.886 19.000 0.229 0.000 0.965 246 A HN 0.390 nan 8.150 nan 0.000 0.514 247 G N 1.793 110.672 108.800 0.131 0.000 2.213 247 G HA2 -0.288 3.676 3.960 0.006 0.000 0.226 247 G HA3 -0.288 3.676 3.960 0.006 0.000 0.226 247 G C 1.000 175.939 174.900 0.065 0.000 0.992 247 G CA 0.800 45.943 45.100 0.072 0.000 0.632 247 G HN 1.679 nan 8.290 nan 0.000 0.511 248 W N 1.994 123.310 121.300 0.026 0.000 2.331 248 W HA -0.136 4.528 4.660 0.007 0.000 0.291 248 W C 1.702 178.229 176.519 0.013 0.000 1.214 248 W CA 2.436 59.787 57.345 0.010 0.000 1.228 248 W CB -1.502 27.950 29.460 -0.012 0.000 1.135 248 W HN 0.725 nan 8.180 nan 0.000 0.537 249 T N -2.003 112.040 114.554 -0.850 0.000 3.113 249 T HA 0.258 4.612 4.350 0.006 0.000 0.263 249 T C 1.797 176.290 174.700 -0.344 0.000 1.143 249 T CA 1.469 63.022 62.100 -0.912 0.000 1.090 249 T CB -0.658 67.637 68.868 -0.955 0.000 0.922 249 T HN 0.665 nan 8.240 nan 0.000 0.521 250 G N 0.514 109.213 108.800 -0.170 0.000 2.195 250 G HA2 -0.218 3.746 3.960 0.006 0.000 0.246 250 G HA3 -0.218 3.746 3.960 0.006 0.000 0.246 250 G C -0.091 174.781 174.900 -0.047 0.000 0.984 250 G CA 0.028 45.090 45.100 -0.063 0.000 0.633 250 G HN 0.727 nan 8.290 nan 0.000 0.525 251 L N 1.230 122.403 121.223 -0.083 0.000 2.483 251 L HA 0.533 4.877 4.340 0.006 0.000 0.276 251 L C 0.608 177.484 176.870 0.009 0.000 1.213 251 L CA 0.722 55.541 54.840 -0.034 0.000 0.843 251 L CB 0.591 42.619 42.059 -0.051 0.000 1.107 251 L HN 0.457 nan 8.230 nan 0.000 0.487 252 Q N 2.599 122.416 119.800 0.029 0.000 2.496 252 Q HA 0.504 4.848 4.340 0.006 0.000 0.286 252 Q C 0.791 176.812 176.000 0.034 0.000 1.103 252 Q CA -0.344 55.483 55.803 0.040 0.000 0.813 252 Q CB 1.550 30.314 28.738 0.043 0.000 1.444 252 Q HN 0.773 nan 8.270 nan 0.000 0.443 253 A N 0.633 123.463 122.820 0.017 0.000 1.986 253 A HA -0.188 4.136 4.320 0.006 0.000 0.220 253 A C 1.588 179.158 177.584 -0.023 0.000 1.171 253 A CA 2.368 54.376 52.037 -0.049 0.000 0.640 253 A CB -0.513 18.445 19.000 -0.071 0.000 0.811 253 A HN 0.639 nan 8.150 nan 0.000 0.451 254 S N -0.829 114.885 115.700 0.023 0.000 2.561 254 S HA 0.283 4.757 4.470 0.006 0.000 0.245 254 S C -0.486 174.161 174.600 0.078 0.000 1.001 254 S CA -0.620 57.610 58.200 0.050 0.000 1.002 254 S CB -0.072 63.157 63.200 0.047 0.000 0.805 254 S HN 0.370 nan 8.310 nan 0.000 0.458 255 D N 1.287 121.737 120.400 0.083 0.000 2.442 255 D HA 0.562 5.206 4.640 0.006 0.000 0.254 255 D C -0.427 175.949 176.300 0.126 0.000 1.069 255 D CA -0.585 53.472 54.000 0.096 0.000 1.017 255 D CB 1.334 42.177 40.800 0.072 0.000 1.172 255 D HN 0.225 nan 8.370 nan 0.000 0.561 256 I N 0.870 121.514 120.570 0.123 0.000 2.406 256 I HA 0.332 4.506 4.170 0.006 0.000 0.290 256 I C -0.232 175.941 176.117 0.093 0.000 0.999 256 I CA -0.493 60.892 61.300 0.141 0.000 1.124 256 I CB 1.785 39.877 38.000 0.154 0.000 1.289 256 I HN 0.035 nan 8.210 nan 0.000 0.441 257 M N 6.090 125.755 119.600 0.108 0.000 2.364 257 M HA 0.398 4.881 4.480 0.006 0.000 0.334 257 M C -1.901 174.511 176.300 0.187 0.000 1.107 257 M CA -0.498 54.858 55.300 0.093 0.000 0.988 257 M CB 1.985 34.607 32.600 0.037 0.000 1.673 257 M HN 0.655 nan 8.290 nan 0.000 0.441 258 W N 5.209 126.470 121.300 -0.065 0.000 2.296 258 W HA 0.471 5.134 4.660 0.004 0.000 0.316 258 W C -1.321 175.159 176.519 -0.064 0.000 1.022 258 W CA -0.598 56.723 57.345 -0.040 0.000 1.324 258 W CB 1.165 30.550 29.460 -0.124 0.000 1.227 258 W HN 0.531 nan 8.180 nan 0.000 0.409 259 T N 7.678 122.308 114.554 0.126 0.000 2.744 259 T HA 0.461 4.815 4.350 0.006 0.000 0.291 259 T C 0.000 174.593 174.700 -0.178 0.000 0.957 259 T CA -0.242 61.802 62.100 -0.092 0.000 1.002 259 T CB 0.627 69.472 68.868 -0.039 0.000 0.919 259 T HN 0.185 nan 8.240 nan 0.000 0.468 260 I N 3.237 123.579 120.570 -0.379 0.000 2.306 260 I HA 0.460 4.634 4.170 0.006 0.000 0.288 260 I C 0.298 176.371 176.117 -0.073 0.000 1.036 260 I CA -0.137 60.957 61.300 -0.343 0.000 1.221 260 I CB 0.955 38.558 38.000 -0.661 0.000 1.385 260 I HN 0.509 nan 8.210 nan 0.000 0.472 261 S N 4.554 120.276 115.700 0.036 0.000 2.537 261 S HA 0.202 4.676 4.470 0.006 0.000 0.270 261 S C -1.146 173.478 174.600 0.039 0.000 1.142 261 S CA -0.803 57.437 58.200 0.066 0.000 0.870 261 S CB 1.657 64.858 63.200 0.001 0.000 1.112 261 S HN 0.606 nan 8.310 nan 0.000 0.466 262 D N 1.942 122.343 120.400 0.002 0.000 2.488 262 D HA 0.036 4.680 4.640 0.006 0.000 0.238 262 D C 1.642 177.896 176.300 -0.078 0.000 1.138 262 D CA 0.722 54.705 54.000 -0.029 0.000 0.873 262 D CB 1.440 42.201 40.800 -0.065 0.000 1.183 262 D HN 0.712 nan 8.370 nan 0.000 0.458 263 T N 0.328 114.758 114.554 -0.206 0.000 3.051 263 T HA 0.006 4.360 4.350 0.006 0.000 0.269 263 T C 1.599 176.207 174.700 -0.153 0.000 1.127 263 T CA 0.760 62.521 62.100 -0.565 0.000 1.107 263 T CB -0.055 68.224 68.868 -0.982 0.000 0.898 263 T HN 0.369 nan 8.240 nan 0.000 0.517 264 G N -0.508 108.344 108.800 0.087 0.000 2.880 264 G HA2 0.156 4.120 3.960 0.006 0.000 0.209 264 G HA3 0.156 4.120 3.960 0.006 0.000 0.209 264 G C -0.049 175.107 174.900 0.427 0.000 1.157 264 G CA -0.637 44.633 45.100 0.284 0.000 0.779 264 G HN 0.499 nan 8.290 nan 0.000 0.539 265 W N 0.803 122.126 121.300 0.038 0.000 2.315 265 W HA 0.464 5.128 4.660 0.006 0.000 0.316 265 W C 1.075 177.540 176.519 -0.089 0.000 1.211 265 W CA -2.211 55.096 57.345 -0.063 0.000 1.201 265 W CB 0.812 30.142 29.460 -0.217 0.000 1.184 265 W HN -0.038 nan 8.180 nan 0.000 0.544 266 I N 5.007 125.437 120.570 -0.235 0.000 2.423 266 I HA -0.309 3.865 4.170 0.006 0.000 0.254 266 I C 2.103 177.891 176.117 -0.549 0.000 1.151 266 I CA 1.127 62.012 61.300 -0.693 0.000 1.421 266 I CB -0.074 37.387 38.000 -0.898 0.000 1.079 266 I HN 0.514 nan 8.210 nan 0.000 0.431 267 L N 1.082 121.774 121.223 -0.885 0.000 2.089 267 L HA -0.340 4.004 4.340 0.006 0.000 0.213 267 L C 2.064 178.691 176.870 -0.406 0.000 1.079 267 L CA 2.134 56.483 54.840 -0.818 0.000 0.758 267 L CB -1.225 39.998 42.059 -1.393 0.000 0.891 267 L HN 0.373 nan 8.230 nan 0.000 0.433 268 N N -0.952 117.578 118.700 -0.283 0.000 2.188 268 N HA -0.204 4.539 4.740 0.006 0.000 0.184 268 N C 1.909 177.357 175.510 -0.104 0.000 1.018 268 N CA 1.364 54.278 53.050 -0.227 0.000 0.858 268 N CB -0.014 38.205 38.487 -0.447 0.000 0.989 268 N HN 0.403 nan 8.380 nan 0.000 0.426 269 I N 1.135 121.716 120.570 0.020 0.000 2.406 269 I HA -0.096 4.078 4.170 0.006 0.000 0.249 269 I C 2.002 178.072 176.117 -0.078 0.000 1.122 269 I CA 0.794 62.136 61.300 0.071 0.000 1.431 269 I CB -0.071 38.066 38.000 0.227 0.000 1.087 269 I HN 0.131 nan 8.210 nan 0.000 0.424 270 L N -1.091 120.052 121.223 -0.135 0.000 2.068 270 L HA -0.188 4.156 4.340 0.006 0.000 0.204 270 L C 2.288 179.115 176.870 -0.073 0.000 1.076 270 L CA 1.170 55.932 54.840 -0.131 0.000 0.753 270 L CB -0.432 41.517 42.059 -0.183 0.000 0.910 270 L HN 0.294 nan 8.230 nan 0.000 0.439 271 C N -2.806 116.438 119.300 -0.093 0.000 2.535 271 C HA 0.062 4.526 4.460 0.006 0.000 0.310 271 C C 3.068 178.016 174.990 -0.070 0.000 1.344 271 C CA 0.304 59.286 59.018 -0.060 0.000 1.831 271 C CB 0.304 27.999 27.740 -0.076 0.000 2.284 271 C HN 0.465 nan 8.230 nan 0.000 0.523 272 S N 0.108 115.777 115.700 -0.051 0.000 2.414 272 S HA 0.048 4.522 4.470 0.006 0.000 0.227 272 S C 1.551 176.116 174.600 -0.058 0.000 1.022 272 S CA 1.087 59.308 58.200 0.034 0.000 0.958 272 S CB -0.070 63.260 63.200 0.217 0.000 0.797 272 S HN 0.603 nan 8.310 nan 0.000 0.493 273 L N -0.611 120.536 121.223 -0.127 0.000 2.488 273 L HA 0.379 4.723 4.340 0.006 0.000 0.186 273 L C 2.243 178.890 176.870 -0.372 0.000 1.124 273 L CA 0.434 55.030 54.840 -0.406 0.000 0.838 273 L CB -0.129 41.841 42.059 -0.149 0.000 1.107 273 L HN 0.276 nan 8.230 nan 0.000 0.494 274 M N -0.386 119.098 119.600 -0.194 0.000 2.236 274 M HA -0.119 4.365 4.480 0.006 0.000 0.266 274 M C 1.956 178.389 176.300 0.221 0.000 1.070 274 M CA 1.315 56.565 55.300 -0.083 0.000 1.137 274 M CB -0.144 32.242 32.600 -0.356 0.000 1.378 274 M HN 0.254 nan 8.290 nan 0.000 0.426 275 E N 1.445 121.706 120.200 0.102 0.000 2.012 275 E HA -0.156 4.197 4.350 0.006 0.000 0.197 275 E C -0.857 175.848 176.600 0.175 0.000 1.007 275 E CA 1.924 58.410 56.400 0.144 0.000 0.816 275 E CB -1.339 28.393 29.700 0.052 0.000 0.762 275 E HN 0.204 nan 8.360 nan 0.000 0.451 276 P HA -0.144 nan 4.420 nan 0.000 0.218 276 P C 0.798 178.357 177.300 0.431 0.000 1.149 276 P CA 1.359 64.558 63.100 0.165 0.000 0.817 276 P CB -0.275 31.458 31.700 0.056 0.000 0.785 277 W N 0.169 121.690 121.300 0.369 0.000 2.584 277 W HA 0.283 4.947 4.660 0.006 0.000 0.264 277 W C 2.537 179.367 176.519 0.518 0.000 1.264 277 W CA 0.151 57.793 57.345 0.495 0.000 1.306 277 W CB -1.776 28.073 29.460 0.649 0.000 1.110 277 W HN -0.005 nan 8.180 nan 0.000 0.606 278 A N 0.373 123.636 122.820 0.738 0.000 1.940 278 A HA -0.151 4.173 4.320 0.006 0.000 0.219 278 A C 1.974 179.889 177.584 0.551 0.000 1.176 278 A CA 1.464 53.851 52.037 0.583 0.000 0.631 278 A CB -0.827 18.463 19.000 0.483 0.000 0.814 278 A HN 0.257 nan 8.150 nan 0.000 0.446 279 L N -1.659 119.777 121.223 0.356 0.000 2.567 279 L HA 0.254 4.597 4.340 0.006 0.000 0.225 279 L C 1.582 178.267 176.870 -0.307 0.000 1.119 279 L CA 0.447 55.398 54.840 0.185 0.000 0.871 279 L CB -0.114 42.018 42.059 0.122 0.000 1.036 279 L HN 0.557 nan 8.230 nan 0.000 0.459 280 G N 0.566 108.909 108.800 -0.760 0.000 2.147 280 G HA2 -0.246 3.718 3.960 0.006 0.000 0.244 280 G HA3 -0.246 3.718 3.960 0.006 0.000 0.244 280 G C 0.286 174.957 174.900 -0.382 0.000 1.005 280 G CA 0.149 44.245 45.100 -1.674 0.000 0.713 280 G HN 0.499 nan 8.290 nan 0.000 0.515 281 A N -1.197 121.669 122.820 0.076 0.000 2.264 281 A HA 0.727 5.051 4.320 0.006 0.000 0.304 281 A C 0.875 178.698 177.584 0.398 0.000 1.100 281 A CA 0.236 52.398 52.037 0.208 0.000 0.839 281 A CB 1.076 20.160 19.000 0.140 0.000 1.121 281 A HN 1.513 nan 8.150 nan 0.000 0.496 282 C N 0.535 120.010 119.300 0.291 0.000 2.435 282 C HA 0.642 5.106 4.460 0.006 0.000 0.375 282 C C 0.905 176.054 174.990 0.265 0.000 1.281 282 C CA 0.111 59.309 59.018 0.299 0.000 1.963 282 C CB -0.331 27.583 27.740 0.291 0.000 2.490 282 C HN 0.846 nan 8.230 nan 0.000 0.557 283 T N 4.824 119.529 114.554 0.251 0.000 2.867 283 T HA 0.520 4.874 4.350 0.006 0.000 0.282 283 T C -0.973 173.787 174.700 0.100 0.000 1.000 283 T CA -0.223 61.932 62.100 0.092 0.000 1.042 283 T CB 0.366 69.146 68.868 -0.147 0.000 0.973 283 T HN 0.548 nan 8.240 nan 0.000 0.465 284 F N 5.105 125.004 119.950 -0.085 0.000 2.436 284 F HA 0.674 5.205 4.527 0.006 0.000 0.340 284 F C -0.907 174.738 175.800 -0.259 0.000 1.113 284 F CA -0.533 57.304 58.000 -0.272 0.000 1.022 284 F CB 1.155 39.849 39.000 -0.510 0.000 1.128 284 F HN 0.272 nan 8.300 nan 0.000 0.466 285 V N 5.712 125.209 119.914 -0.695 0.000 2.531 285 V HA 0.292 4.416 4.120 0.006 0.000 0.301 285 V C -0.930 174.827 176.094 -0.562 0.000 1.034 285 V CA -0.771 61.316 62.300 -0.355 0.000 0.865 285 V CB 1.421 33.021 31.823 -0.372 0.000 0.995 285 V HN 0.682 nan 8.190 nan 0.000 0.424 286 H N 3.867 122.786 119.070 -0.252 0.000 2.481 286 H HA 0.378 4.937 4.556 0.006 0.000 0.333 286 H C 0.490 175.826 175.328 0.013 0.000 1.066 286 H CA -0.608 55.270 56.048 -0.284 0.000 1.209 286 H CB 2.175 31.870 29.762 -0.112 0.000 1.445 286 H HN 0.619 nan 8.280 nan 0.000 0.488 287 L N 5.572 126.858 121.223 0.106 0.000 2.051 287 L HA -0.152 4.192 4.340 0.006 0.000 0.214 287 L C 1.142 178.228 176.870 0.361 0.000 1.076 287 L CA 1.342 56.377 54.840 0.325 0.000 0.758 287 L CB -0.543 41.667 42.059 0.251 0.000 0.890 287 L HN 0.855 nan 8.230 nan 0.000 0.433 288 L N 0.151 121.655 121.223 0.468 0.000 3.965 288 L HA -0.233 4.111 4.340 0.006 0.000 0.499 288 L C -1.210 175.800 176.870 0.233 0.000 1.194 288 L CA -0.049 54.938 54.840 0.246 0.000 0.707 288 L CB -1.275 40.896 42.059 0.187 0.000 1.414 288 L HN 0.341 nan 8.230 nan 0.000 0.802 289 P HA -0.160 nan 4.420 nan 0.000 0.218 289 P C 0.999 178.394 177.300 0.158 0.000 1.149 289 P CA 1.428 64.632 63.100 0.173 0.000 0.817 289 P CB 0.197 31.982 31.700 0.142 0.000 0.785 290 K N -2.635 117.856 120.400 0.152 0.000 2.402 290 K HA 0.152 4.476 4.320 0.006 0.000 0.204 290 K C -0.192 176.538 176.600 0.218 0.000 1.056 290 K CA -0.585 55.789 56.287 0.145 0.000 1.069 290 K CB 0.127 32.684 32.500 0.095 0.000 0.888 290 K HN -0.199 nan 8.250 nan 0.000 0.546 291 F N 2.700 122.663 119.950 0.022 0.000 2.891 291 F HA -0.245 4.286 4.527 0.007 0.000 0.272 291 F C -0.575 175.215 175.800 -0.016 0.000 1.004 291 F CA 0.252 58.252 58.000 -0.001 0.000 0.938 291 F CB -0.863 38.145 39.000 0.012 0.000 0.939 291 F HN 0.069 nan 8.300 nan 0.000 0.833 292 D N 3.136 123.476 120.400 -0.100 0.000 2.317 292 D HA 0.279 4.923 4.640 0.006 0.000 0.234 292 D C -1.295 174.893 176.300 -0.187 0.000 1.112 292 D CA -1.984 51.963 54.000 -0.088 0.000 0.840 292 D CB 1.418 42.191 40.800 -0.046 0.000 1.078 292 D HN 0.057 nan 8.370 nan 0.000 0.486 293 P HA -0.179 nan 4.420 nan 0.000 0.216 293 P C 1.588 178.815 177.300 -0.121 0.000 1.150 293 P CA 0.327 63.331 63.100 -0.160 0.000 0.837 293 P CB 0.426 32.083 31.700 -0.072 0.000 0.786 294 L N -0.238 120.930 121.223 -0.091 0.000 2.141 294 L HA -0.077 4.267 4.340 0.006 0.000 0.209 294 L C 2.329 179.103 176.870 -0.159 0.000 1.094 294 L CA 1.554 56.330 54.840 -0.107 0.000 0.763 294 L CB -1.320 40.698 42.059 -0.068 0.000 0.908 294 L HN -0.218 nan 8.230 nan 0.000 0.437 295 V N -0.347 119.482 119.914 -0.143 0.000 2.358 295 V HA -0.281 3.843 4.120 0.006 0.000 0.246 295 V C 2.534 178.532 176.094 -0.161 0.000 1.047 295 V CA 1.933 64.139 62.300 -0.156 0.000 1.035 295 V CB -0.401 31.315 31.823 -0.178 0.000 0.658 295 V HN 0.370 nan 8.190 nan 0.000 0.452 296 I N -0.490 119.985 120.570 -0.159 0.000 2.208 296 I HA -0.288 3.886 4.170 0.006 0.000 0.245 296 I C 2.416 178.543 176.117 0.017 0.000 1.097 296 I CA 1.591 62.870 61.300 -0.036 0.000 1.363 296 I CB -0.348 37.507 38.000 -0.242 0.000 1.051 296 I HN 0.306 nan 8.210 nan 0.000 0.413 297 L N 0.917 122.106 121.223 -0.058 0.000 2.027 297 L HA -0.194 4.149 4.340 0.006 0.000 0.206 297 L C 2.395 179.231 176.870 -0.057 0.000 1.074 297 L CA 1.908 56.743 54.840 -0.008 0.000 0.745 297 L CB -0.474 41.576 42.059 -0.015 0.000 0.898 297 L HN 0.039 nan 8.230 nan 0.000 0.433 298 K N -1.443 118.812 120.400 -0.242 0.000 2.147 298 K HA -0.111 4.213 4.320 0.006 0.000 0.205 298 K C 1.854 178.448 176.600 -0.011 0.000 1.049 298 K CA 1.723 57.854 56.287 -0.261 0.000 0.936 298 K CB -0.263 32.055 32.500 -0.303 0.000 0.722 298 K HN 0.385 nan 8.250 nan 0.000 0.446 299 T N 1.725 116.291 114.554 0.019 0.000 2.737 299 T HA -0.075 4.279 4.350 0.006 0.000 0.265 299 T C 1.790 176.499 174.700 0.015 0.000 1.038 299 T CA 0.922 63.049 62.100 0.045 0.000 1.144 299 T CB -0.182 68.586 68.868 -0.167 0.000 0.866 299 T HN 0.099 nan 8.240 nan 0.000 0.434 300 L N 0.841 122.103 121.223 0.064 0.000 2.079 300 L HA -0.139 4.205 4.340 0.006 0.000 0.210 300 L C 2.853 179.878 176.870 0.258 0.000 1.081 300 L CA 1.133 56.008 54.840 0.058 0.000 0.752 300 L CB -0.536 41.427 42.059 -0.161 0.000 0.896 300 L HN 0.288 nan 8.230 nan 0.000 0.433 301 S N -1.136 114.747 115.700 0.305 0.000 2.387 301 S HA -0.104 4.370 4.470 0.006 0.000 0.226 301 S C 2.041 176.797 174.600 0.260 0.000 1.026 301 S CA 1.477 59.915 58.200 0.396 0.000 0.972 301 S CB 0.081 63.525 63.200 0.406 0.000 0.814 301 S HN 0.399 nan 8.310 nan 0.000 0.477 302 S N -0.515 115.236 115.700 0.085 0.000 2.486 302 S HA 0.283 4.757 4.470 0.006 0.000 0.220 302 S C -0.363 173.996 174.600 -0.402 0.000 1.011 302 S CA 0.040 58.144 58.200 -0.160 0.000 0.921 302 S CB 0.016 63.054 63.200 -0.269 0.000 0.785 302 S HN 0.535 nan 8.310 nan 0.000 0.517 303 Y N 1.239 121.393 120.300 -0.243 0.000 2.468 303 Y HA 0.407 4.961 4.550 0.006 0.000 0.342 303 Y C -2.525 173.076 175.900 -0.499 0.000 1.021 303 Y CA -2.624 55.221 58.100 -0.425 0.000 1.079 303 Y CB 1.168 39.149 38.460 -0.798 0.000 1.226 303 Y HN -0.128 nan 8.280 nan 0.000 0.460 304 P HA 0.095 nan 4.420 nan 0.000 0.220 304 P C -0.625 176.614 177.300 -0.101 0.000 1.806 304 P CA 0.188 63.081 63.100 -0.344 0.000 0.976 304 P CB -0.477 31.143 31.700 -0.132 0.000 1.952 305 I N 1.816 122.344 120.570 -0.071 0.000 2.452 305 I HA 0.105 4.278 4.170 0.006 0.000 0.287 305 I C 1.563 177.756 176.117 0.126 0.000 1.079 305 I CA 0.052 61.320 61.300 -0.053 0.000 1.387 305 I CB 0.964 38.871 38.000 -0.154 0.000 1.404 305 I HN 0.073 nan 8.210 nan 0.000 0.522 306 K N 4.241 124.696 120.400 0.091 0.000 2.202 306 K HA 0.131 4.455 4.320 0.006 0.000 0.201 306 K C 0.355 176.994 176.600 0.066 0.000 1.051 306 K CA 0.831 57.178 56.287 0.101 0.000 0.977 306 K CB 0.422 32.974 32.500 0.087 0.000 0.792 306 K HN 0.593 nan 8.250 nan 0.000 0.469 307 S N 0.377 116.103 115.700 0.042 0.000 2.536 307 S HA 0.603 5.077 4.470 0.006 0.000 0.298 307 S C -0.711 173.897 174.600 0.013 0.000 1.083 307 S CA -0.932 57.273 58.200 0.008 0.000 0.995 307 S CB 1.607 64.785 63.200 -0.038 0.000 1.058 307 S HN 0.349 nan 8.310 nan 0.000 0.488 308 M N 1.484 121.074 119.600 -0.017 0.000 2.501 308 M HA 0.842 5.326 4.480 0.006 0.000 0.293 308 M C -1.346 174.891 176.300 -0.106 0.000 1.192 308 M CA -0.875 54.388 55.300 -0.061 0.000 0.886 308 M CB 2.051 34.590 32.600 -0.101 0.000 1.710 308 M HN 0.593 nan 8.290 nan 0.000 0.457 309 M N 2.569 122.065 119.600 -0.175 0.000 2.393 309 M HA 0.948 5.431 4.480 0.006 0.000 0.299 309 M C -1.201 174.953 176.300 -0.244 0.000 1.103 309 M CA 0.108 55.315 55.300 -0.154 0.000 0.910 309 M CB 2.402 34.919 32.600 -0.140 0.000 1.659 309 M HN 1.001 nan 8.290 nan 0.000 0.445 310 G N 2.147 110.841 108.800 -0.177 0.000 2.601 310 G HA2 0.718 4.682 3.960 0.006 0.000 0.291 310 G HA3 0.718 4.682 3.960 0.006 0.000 0.291 310 G C -1.757 173.123 174.900 -0.034 0.000 1.456 310 G CA -0.414 44.566 45.100 -0.199 0.000 0.804 310 G HN 1.070 nan 8.290 nan 0.000 0.499 311 A N 0.718 123.564 122.820 0.043 0.000 2.466 311 A HA 0.594 4.917 4.320 0.006 0.000 0.238 311 A C -0.833 176.795 177.584 0.074 0.000 1.074 311 A CA -0.468 51.632 52.037 0.105 0.000 0.774 311 A CB 0.178 19.236 19.000 0.096 0.000 1.015 311 A HN 0.374 nan 8.150 nan 0.000 0.498 312 P HA -0.200 nan 4.420 nan 0.000 0.217 312 P C 1.358 178.714 177.300 0.093 0.000 1.148 312 P CA 1.085 64.266 63.100 0.136 0.000 0.834 312 P CB -0.006 31.738 31.700 0.074 0.000 0.783 313 I N -0.897 119.704 120.570 0.052 0.000 2.335 313 I HA -0.201 3.973 4.170 0.006 0.000 0.251 313 I C 1.933 178.067 176.117 0.029 0.000 1.129 313 I CA 1.419 62.751 61.300 0.053 0.000 1.402 313 I CB -0.626 37.407 38.000 0.056 0.000 1.069 313 I HN -0.218 nan 8.210 nan 0.000 0.424 314 V N -0.175 119.704 119.914 -0.058 0.000 2.295 314 V HA -0.318 3.806 4.120 0.006 0.000 0.246 314 V C 2.239 178.139 176.094 -0.323 0.000 1.049 314 V CA 2.054 64.207 62.300 -0.244 0.000 1.024 314 V CB -1.047 30.494 31.823 -0.471 0.000 0.648 314 V HN 0.372 nan 8.190 nan 0.000 0.447 315 Y N 0.571 120.742 120.300 -0.214 0.000 2.181 315 Y HA -0.157 4.397 4.550 0.006 0.000 0.288 315 Y C 2.691 178.561 175.900 -0.049 0.000 1.146 315 Y CA 1.436 59.364 58.100 -0.287 0.000 1.164 315 Y CB -0.486 37.689 38.460 -0.474 0.000 0.982 315 Y HN 0.116 nan 8.280 nan 0.000 0.515 316 R N -0.613 119.962 120.500 0.125 0.000 2.096 316 R HA -0.160 4.184 4.340 0.006 0.000 0.235 316 R C 2.158 178.521 176.300 0.104 0.000 1.127 316 R CA 1.715 57.888 56.100 0.122 0.000 0.968 316 R CB -0.394 29.961 30.300 0.091 0.000 0.861 316 R HN 0.387 nan 8.270 nan 0.000 0.440 317 M N 0.364 120.003 119.600 0.064 0.000 2.132 317 M HA -0.133 4.351 4.480 0.006 0.000 0.263 317 M C 2.140 178.480 176.300 0.067 0.000 1.065 317 M CA 1.570 56.899 55.300 0.049 0.000 1.122 317 M CB -0.192 32.415 32.600 0.010 0.000 1.365 317 M HN 0.098 nan 8.290 nan 0.000 0.411 318 L N -0.236 121.038 121.223 0.085 0.000 2.083 318 L HA -0.196 4.147 4.340 0.006 0.000 0.209 318 L C 2.243 179.260 176.870 0.246 0.000 1.083 318 L CA 1.001 55.947 54.840 0.177 0.000 0.752 318 L CB -0.634 41.602 42.059 0.295 0.000 0.899 318 L HN 0.318 nan 8.230 nan 0.000 0.433 319 L N -0.679 120.711 121.223 0.277 0.000 2.275 319 L HA -0.159 4.185 4.340 0.006 0.000 0.215 319 L C 2.500 179.458 176.870 0.146 0.000 1.119 319 L CA 0.606 55.592 54.840 0.244 0.000 0.790 319 L CB -0.283 41.936 42.059 0.266 0.000 0.919 319 L HN 0.318 nan 8.230 nan 0.000 0.443 320 Q N -0.582 119.290 119.800 0.120 0.000 2.432 320 Q HA 0.038 4.382 4.340 0.006 0.000 0.205 320 Q C 0.711 176.758 176.000 0.079 0.000 0.945 320 Q CA 0.547 56.401 55.803 0.086 0.000 0.924 320 Q CB 0.126 28.907 28.738 0.071 0.000 1.016 320 Q HN 0.476 nan 8.270 nan 0.000 0.503 321 Q N 0.434 120.290 119.800 0.093 0.000 2.222 321 Q HA 0.096 4.440 4.340 0.006 0.000 0.211 321 Q C -0.290 175.768 176.000 0.097 0.000 1.013 321 Q CA -0.188 55.670 55.803 0.091 0.000 0.993 321 Q CB 0.275 29.069 28.738 0.093 0.000 1.151 321 Q HN -0.039 nan 8.270 nan 0.000 0.544 322 D N 1.100 121.567 120.400 0.112 0.000 2.453 322 D HA 0.118 4.762 4.640 0.006 0.000 0.223 322 D C 0.816 177.185 176.300 0.115 0.000 1.183 322 D CA 0.086 54.144 54.000 0.097 0.000 0.933 322 D CB -0.038 40.818 40.800 0.093 0.000 1.038 322 D HN 0.376 nan 8.370 nan 0.000 0.513 323 L N 1.996 123.257 121.223 0.063 0.000 2.141 323 L HA -0.153 4.190 4.340 0.006 0.000 0.209 323 L C 2.430 179.254 176.870 -0.078 0.000 1.094 323 L CA 0.961 55.809 54.840 0.012 0.000 0.763 323 L CB -0.414 41.615 42.059 -0.049 0.000 0.908 323 L HN 0.362 nan 8.230 nan 0.000 0.437 324 S N -1.356 114.301 115.700 -0.073 0.000 2.399 324 S HA -0.172 4.302 4.470 0.006 0.000 0.231 324 S C 2.057 176.582 174.600 -0.125 0.000 1.022 324 S CA 1.561 59.697 58.200 -0.107 0.000 0.983 324 S CB -0.251 62.900 63.200 -0.081 0.000 0.803 324 S HN 0.314 nan 8.310 nan 0.000 0.480 325 S N -0.118 115.520 115.700 -0.103 0.000 2.414 325 S HA 0.191 4.665 4.470 0.006 0.000 0.227 325 S C -0.401 173.938 174.600 -0.435 0.000 1.022 325 S CA 0.433 58.484 58.200 -0.249 0.000 0.958 325 S CB -0.225 62.841 63.200 -0.223 0.000 0.797 325 S HN 0.694 nan 8.310 nan 0.000 0.493 326 Y N 1.843 122.114 120.300 -0.048 0.000 2.646 326 Y HA 0.399 4.951 4.550 0.003 0.000 0.334 326 Y C -0.115 175.710 175.900 -0.124 0.000 1.004 326 Y CA -1.057 57.035 58.100 -0.014 0.000 1.301 326 Y CB 0.618 39.125 38.460 0.078 0.000 1.093 326 Y HN -0.223 nan 8.280 nan 0.000 0.530 327 K N 2.659 122.996 120.400 -0.106 0.000 2.154 327 K HA 0.396 4.720 4.320 0.006 0.000 0.264 327 K C -0.576 175.889 176.600 -0.225 0.000 1.008 327 K CA -0.496 55.581 56.287 -0.351 0.000 0.937 327 K CB 0.742 33.097 32.500 -0.241 0.000 1.002 327 K HN 0.578 nan 8.250 nan 0.000 0.469 328 F N -0.308 119.569 119.950 -0.122 0.000 2.593 328 F HA 0.311 4.841 4.527 0.006 0.000 0.336 328 F C -1.910 173.564 175.800 -0.543 0.000 1.491 328 F CA -2.193 55.584 58.000 -0.371 0.000 1.114 328 F CB 0.580 39.402 39.000 -0.297 0.000 1.468 328 F HN 0.304 nan 8.300 nan 0.000 0.579 329 P HA -0.211 nan 4.420 nan 0.000 0.225 329 P C 1.292 178.566 177.300 -0.043 0.000 1.148 329 P CA 1.685 64.728 63.100 -0.096 0.000 0.779 329 P CB -0.255 31.431 31.700 -0.023 0.000 0.780 330 H N -1.192 117.945 119.070 0.113 0.000 2.495 330 H HA 0.057 4.616 4.556 0.006 0.000 0.287 330 H C 0.905 176.299 175.328 0.110 0.000 1.033 330 H CA -0.177 55.927 56.048 0.095 0.000 1.307 330 H CB -0.922 28.886 29.762 0.077 0.000 1.401 330 H HN 0.099 nan 8.280 nan 0.000 0.555 331 L N 2.332 123.497 121.223 -0.097 0.000 2.477 331 L HA 0.191 4.534 4.340 0.006 0.000 0.272 331 L C 1.132 178.061 176.870 0.098 0.000 1.157 331 L CA 0.954 55.826 54.840 0.053 0.000 0.889 331 L CB 0.889 42.972 42.059 0.041 0.000 1.158 331 L HN 0.452 nan 8.230 nan 0.000 0.473 332 Q N 3.407 123.264 119.800 0.095 0.000 2.532 332 Q HA 0.273 4.616 4.340 0.006 0.000 0.247 332 Q C 0.283 176.334 176.000 0.084 0.000 0.872 332 Q CA 0.514 56.368 55.803 0.086 0.000 0.963 332 Q CB -0.074 28.706 28.738 0.070 0.000 1.159 332 Q HN 0.732 nan 8.270 nan 0.000 0.598 333 N N 0.035 118.774 118.700 0.065 0.000 2.443 333 N HA 0.446 5.190 4.740 0.006 0.000 0.269 333 N C -1.607 173.926 175.510 0.038 0.000 0.985 333 N CA -0.304 52.766 53.050 0.033 0.000 0.921 333 N CB 1.549 40.020 38.487 -0.026 0.000 1.195 333 N HN 0.404 nan 8.380 nan 0.000 0.492 334 C N 2.352 121.685 119.300 0.056 0.000 2.291 334 C HA 0.530 4.993 4.460 0.006 0.000 0.322 334 C C 0.815 175.782 174.990 -0.039 0.000 1.205 334 C CA -0.925 58.124 59.018 0.053 0.000 1.495 334 C CB -0.470 27.323 27.740 0.088 0.000 2.127 334 C HN 0.519 nan 8.230 nan 0.000 0.452 335 V N 1.422 121.323 119.914 -0.022 0.000 2.994 335 V HA 0.973 5.097 4.120 0.006 0.000 0.318 335 V C -0.281 175.852 176.094 0.066 0.000 1.085 335 V CA -0.163 62.126 62.300 -0.019 0.000 0.998 335 V CB 1.877 33.631 31.823 -0.115 0.000 1.063 335 V HN 0.690 nan 8.190 nan 0.000 0.447 336 T N 0.484 115.095 114.554 0.094 0.000 2.853 336 T HA 0.727 5.081 4.350 0.006 0.000 0.311 336 T C -1.564 173.202 174.700 0.110 0.000 1.307 336 T CA 0.094 62.265 62.100 0.118 0.000 1.019 336 T CB 1.745 70.668 68.868 0.093 0.000 1.264 336 T HN 1.665 nan 8.240 nan 0.000 0.497 337 V N 1.412 121.378 119.914 0.087 0.000 3.282 337 V HA 0.708 4.831 4.120 0.006 0.000 0.295 337 V C 0.649 176.836 176.094 0.155 0.000 1.451 337 V CA 0.913 63.253 62.300 0.066 0.000 1.062 337 V CB 1.542 33.347 31.823 -0.031 0.000 1.128 337 V HN 1.597 nan 8.190 nan 0.000 0.456 338 G N 2.884 111.785 108.800 0.168 0.000 2.339 338 G HA2 -0.100 3.864 3.960 0.006 0.000 0.209 338 G HA3 -0.100 3.864 3.960 0.006 0.000 0.209 338 G C -0.094 174.843 174.900 0.062 0.000 1.015 338 G CA 0.495 45.779 45.100 0.307 0.000 0.635 338 G HN 1.180 nan 8.290 nan 0.000 0.499 339 E N -0.388 119.816 120.200 0.008 0.000 2.458 339 E HA 0.600 4.953 4.350 0.006 0.000 0.278 339 E C -0.835 175.704 176.600 -0.101 0.000 1.004 339 E CA -0.481 55.872 56.400 -0.078 0.000 0.823 339 E CB 1.161 30.842 29.700 -0.032 0.000 1.396 339 E HN 0.305 nan 8.360 nan 0.000 0.463 340 S N 0.799 116.410 115.700 -0.148 0.000 2.505 340 S HA 0.191 4.665 4.470 0.006 0.000 0.276 340 S C -0.424 174.178 174.600 0.002 0.000 1.274 340 S CA -0.665 57.475 58.200 -0.099 0.000 1.053 340 S CB 0.043 63.220 63.200 -0.038 0.000 0.919 340 S HN 0.419 nan 8.310 nan 0.000 0.490 341 L N 7.635 128.865 121.223 0.013 0.000 2.325 341 L HA 0.436 4.780 4.340 0.006 0.000 0.284 341 L C -0.600 176.292 176.870 0.037 0.000 1.089 341 L CA 0.048 54.899 54.840 0.019 0.000 0.836 341 L CB 0.030 42.086 42.059 -0.005 0.000 1.184 341 L HN 0.648 nan 8.230 nan 0.000 0.444 342 L N 7.896 129.148 121.223 0.047 0.000 2.426 342 L HA 0.199 4.543 4.340 0.006 0.000 0.271 342 L C -1.116 175.787 176.870 0.054 0.000 1.169 342 L CA -1.443 53.433 54.840 0.060 0.000 0.836 342 L CB 0.253 42.353 42.059 0.068 0.000 1.112 342 L HN 0.503 nan 8.230 nan 0.000 0.465 343 P HA -0.204 nan 4.420 nan 0.000 0.217 343 P C 1.003 178.339 177.300 0.061 0.000 1.151 343 P CA 1.189 64.326 63.100 0.062 0.000 0.849 343 P CB 0.290 32.027 31.700 0.062 0.000 0.787 344 E N -1.158 119.078 120.200 0.060 0.000 2.070 344 E HA -0.154 4.200 4.350 0.006 0.000 0.197 344 E C 1.994 178.640 176.600 0.077 0.000 1.004 344 E CA 1.920 58.358 56.400 0.063 0.000 0.805 344 E CB -1.339 28.396 29.700 0.058 0.000 0.744 344 E HN 0.266 nan 8.360 nan 0.000 0.451 345 T N 1.024 115.623 114.554 0.075 0.000 2.737 345 T HA -0.117 4.237 4.350 0.006 0.000 0.265 345 T C 1.780 176.541 174.700 0.101 0.000 1.038 345 T CA 0.960 63.114 62.100 0.090 0.000 1.144 345 T CB -0.368 68.535 68.868 0.057 0.000 0.866 345 T HN 0.032 nan 8.240 nan 0.000 0.434 346 L N 1.495 122.752 121.223 0.057 0.000 2.013 346 L HA -0.112 4.232 4.340 0.006 0.000 0.212 346 L C 2.420 179.362 176.870 0.121 0.000 1.073 346 L CA 1.974 56.852 54.840 0.064 0.000 0.753 346 L CB -0.720 41.365 42.059 0.044 0.000 0.890 346 L HN 0.283 nan 8.230 nan 0.000 0.432 347 E N -0.999 119.259 120.200 0.097 0.000 2.051 347 E HA -0.279 4.075 4.350 0.006 0.000 0.192 347 E C 2.019 178.678 176.600 0.099 0.000 0.991 347 E CA 1.306 57.758 56.400 0.086 0.000 0.799 347 E CB -0.146 29.593 29.700 0.065 0.000 0.748 347 E HN 0.543 nan 8.360 nan 0.000 0.449 348 N N 0.366 119.139 118.700 0.121 0.000 2.142 348 N HA -0.178 4.566 4.740 0.006 0.000 0.186 348 N C 1.437 177.046 175.510 0.166 0.000 1.023 348 N CA 1.075 54.200 53.050 0.125 0.000 0.852 348 N CB -0.466 38.102 38.487 0.134 0.000 0.998 348 N HN 0.397 nan 8.380 nan 0.000 0.424 349 W N 1.676 122.995 121.300 0.031 0.000 2.358 349 W HA -0.149 4.514 4.660 0.006 0.000 0.303 349 W C 1.929 178.470 176.519 0.036 0.000 1.208 349 W CA 1.083 58.454 57.345 0.042 0.000 1.274 349 W CB -0.183 29.274 29.460 -0.005 0.000 1.138 349 W HN 0.131 nan 8.180 nan 0.000 0.515 350 R N 0.221 120.806 120.500 0.142 0.000 2.080 350 R HA -0.169 4.175 4.340 0.006 0.000 0.236 350 R C 2.608 178.889 176.300 -0.032 0.000 1.137 350 R CA 2.318 58.443 56.100 0.042 0.000 0.943 350 R CB -0.978 29.363 30.300 0.069 0.000 0.846 350 R HN 0.124 nan 8.270 nan 0.000 0.431 351 A N 0.638 123.452 122.820 -0.011 0.000 1.908 351 A HA -0.223 4.101 4.320 0.006 0.000 0.218 351 A C 1.972 179.508 177.584 -0.079 0.000 1.181 351 A CA 1.461 53.480 52.037 -0.030 0.000 0.627 351 A CB -0.355 18.643 19.000 -0.004 0.000 0.818 351 A HN 0.371 nan 8.150 nan 0.000 0.445 352 Q N -1.506 118.224 119.800 -0.117 0.000 2.302 352 Q HA -0.043 4.301 4.340 0.006 0.000 0.202 352 Q C 1.930 177.759 176.000 -0.286 0.000 0.936 352 Q CA 1.565 57.265 55.803 -0.172 0.000 0.886 352 Q CB 0.027 28.681 28.738 -0.140 0.000 0.986 352 Q HN 0.857 nan 8.270 nan 0.000 0.487 353 T N -4.676 109.643 114.554 -0.392 0.000 2.971 353 T HA 0.298 4.651 4.350 0.006 0.000 0.252 353 T C 1.399 175.948 174.700 -0.252 0.000 1.022 353 T CA 0.626 62.462 62.100 -0.439 0.000 0.980 353 T CB 0.821 69.243 68.868 -0.743 0.000 1.044 353 T HN 0.350 nan 8.240 nan 0.000 0.501 354 G N 1.512 110.207 108.800 -0.174 0.000 2.189 354 G HA2 -0.213 3.751 3.960 0.006 0.000 0.267 354 G HA3 -0.213 3.751 3.960 0.006 0.000 0.267 354 G C -0.090 174.797 174.900 -0.023 0.000 0.975 354 G CA 0.549 45.600 45.100 -0.081 0.000 0.644 354 G HN 0.657 nan 8.290 nan 0.000 0.537 355 L N 0.474 121.689 121.223 -0.014 0.000 2.334 355 L HA 0.541 4.885 4.340 0.006 0.000 0.272 355 L C -0.218 176.789 176.870 0.229 0.000 1.020 355 L CA -1.246 53.672 54.840 0.129 0.000 0.812 355 L CB 1.135 43.350 42.059 0.260 0.000 1.264 355 L HN -0.065 nan 8.230 nan 0.000 0.439 356 D N 1.901 122.416 120.400 0.191 0.000 2.304 356 D HA 0.409 5.052 4.640 0.006 0.000 0.247 356 D C -0.242 176.134 176.300 0.127 0.000 1.089 356 D CA 0.053 54.147 54.000 0.157 0.000 0.910 356 D CB 1.935 42.794 40.800 0.098 0.000 1.199 356 D HN 0.221 nan 8.370 nan 0.000 0.426 357 I N 2.040 122.611 120.570 0.002 0.000 2.330 357 I HA 0.241 4.415 4.170 0.006 0.000 0.289 357 I C 0.541 176.608 176.117 -0.082 0.000 1.001 357 I CA -0.581 60.590 61.300 -0.217 0.000 1.193 357 I CB 0.966 38.633 38.000 -0.554 0.000 1.345 357 I HN -0.050 nan 8.210 nan 0.000 0.461 358 R N 5.462 125.943 120.500 -0.032 0.000 2.198 358 R HA 0.268 4.611 4.340 0.006 0.000 0.339 358 R C -0.162 176.195 176.300 0.095 0.000 1.020 358 R CA -0.528 55.610 56.100 0.063 0.000 0.864 358 R CB 1.322 31.684 30.300 0.104 0.000 1.105 358 R HN 0.596 nan 8.270 nan 0.000 0.463 359 E N 1.929 122.190 120.200 0.101 0.000 2.373 359 E HA 0.119 4.473 4.350 0.006 0.000 0.263 359 E C -0.577 176.117 176.600 0.156 0.000 1.073 359 E CA -0.151 56.315 56.400 0.109 0.000 0.894 359 E CB 0.857 30.614 29.700 0.096 0.000 1.008 359 E HN 0.638 nan 8.360 nan 0.000 0.420 360 S N 2.580 118.363 115.700 0.138 0.000 2.661 360 S HA 0.537 5.011 4.470 0.006 0.000 0.285 360 S C -1.381 173.268 174.600 0.081 0.000 1.138 360 S CA -0.874 57.360 58.200 0.058 0.000 0.855 360 S CB 1.328 64.503 63.200 -0.041 0.000 1.136 360 S HN 0.584 nan 8.310 nan 0.000 0.484 361 Y N -0.398 119.827 120.300 -0.125 0.000 2.534 361 Y HA 0.739 5.293 4.550 0.006 0.000 0.345 361 Y C -0.320 175.505 175.900 -0.124 0.000 1.031 361 Y CA 0.303 58.339 58.100 -0.107 0.000 1.022 361 Y CB 1.481 39.892 38.460 -0.082 0.000 1.292 361 Y HN 1.375 nan 8.280 nan 0.000 0.459 362 G N 3.671 111.946 108.800 -0.875 0.000 2.342 362 G HA2 0.500 4.464 3.960 0.006 0.000 0.297 362 G HA3 0.500 4.464 3.960 0.006 0.000 0.297 362 G C -2.313 172.273 174.900 -0.523 0.000 1.313 362 G CA -0.702 43.982 45.100 -0.693 0.000 0.830 362 G HN 0.917 nan 8.290 nan 0.000 0.506 363 Q N -1.974 117.641 119.800 -0.309 0.000 2.626 363 Q HA 0.621 4.964 4.340 0.006 0.000 0.300 363 Q C 0.365 176.289 176.000 -0.128 0.000 0.988 363 Q CA -0.287 55.423 55.803 -0.155 0.000 0.761 363 Q CB 1.106 29.789 28.738 -0.093 0.000 1.494 363 Q HN 0.315 nan 8.270 nan 0.000 0.439 364 T N 0.445 114.958 114.554 -0.069 0.000 2.737 364 T HA -0.184 4.170 4.350 0.006 0.000 0.269 364 T C 0.927 175.567 174.700 -0.101 0.000 1.040 364 T CA 2.302 64.353 62.100 -0.081 0.000 1.142 364 T CB -0.164 68.706 68.868 0.003 0.000 0.861 364 T HN 0.601 nan 8.240 nan 0.000 0.456 365 E N 0.620 120.624 120.200 -0.326 0.000 2.274 365 E HA -0.026 4.328 4.350 0.006 0.000 0.194 365 E C 2.238 178.511 176.600 -0.545 0.000 0.996 365 E CA 1.284 57.139 56.400 -0.908 0.000 0.840 365 E CB -0.048 28.868 29.700 -1.306 0.000 0.772 365 E HN 0.698 nan 8.360 nan 0.000 0.491 366 T N -4.031 110.388 114.554 -0.226 0.000 3.004 366 T HA 0.437 4.791 4.350 0.006 0.000 0.266 366 T C 1.193 175.914 174.700 0.036 0.000 0.986 366 T CA 0.007 62.040 62.100 -0.112 0.000 0.902 366 T CB 0.285 69.073 68.868 -0.133 0.000 1.118 366 T HN 0.223 nan 8.240 nan 0.000 0.522 367 G N 2.185 110.951 108.800 -0.056 0.000 2.578 367 G HA2 -0.234 3.730 3.960 0.006 0.000 0.275 367 G HA3 -0.234 3.730 3.960 0.006 0.000 0.275 367 G C -0.281 174.522 174.900 -0.161 0.000 1.271 367 G CA -0.117 44.898 45.100 -0.142 0.000 0.941 367 G HN 0.832 nan 8.290 nan 0.000 0.564 368 L N 1.215 122.302 121.223 -0.226 0.000 2.530 368 L HA 0.465 4.809 4.340 0.006 0.000 0.273 368 L C 1.689 178.418 176.870 -0.234 0.000 1.141 368 L CA 1.483 56.130 54.840 -0.322 0.000 0.905 368 L CB 0.806 42.570 42.059 -0.492 0.000 1.202 368 L HN 0.688 nan 8.230 nan 0.000 0.473 369 T N 2.058 116.529 114.554 -0.138 0.000 3.056 369 T HA 0.188 4.542 4.350 0.006 0.000 0.241 369 T C 0.137 174.859 174.700 0.036 0.000 1.006 369 T CA 0.179 62.338 62.100 0.099 0.000 1.115 369 T CB 0.199 69.099 68.868 0.053 0.000 0.939 369 T HN 0.545 nan 8.240 nan 0.000 0.462 370 C N 2.644 121.942 119.300 -0.002 0.000 2.898 370 C HA 0.928 5.392 4.460 0.006 0.000 0.304 370 C C -0.611 174.315 174.990 -0.107 0.000 1.237 370 C CA -1.154 57.849 59.018 -0.025 0.000 1.529 370 C CB 1.761 29.524 27.740 0.038 0.000 2.021 370 C HN 0.615 nan 8.230 nan 0.000 0.474 371 M N 0.397 119.926 119.600 -0.118 0.000 2.732 371 M HA 0.566 5.050 4.480 0.006 0.000 0.272 371 M C -2.206 174.080 176.300 -0.022 0.000 1.203 371 M CA -0.434 54.806 55.300 -0.101 0.000 0.841 371 M CB 1.124 33.520 32.600 -0.339 0.000 1.685 371 M HN 0.313 nan 8.290 nan 0.000 0.492 372 V N 3.061 123.027 119.914 0.086 0.000 2.353 372 V HA 0.381 4.505 4.120 0.006 0.000 0.264 372 V C 0.860 177.073 176.094 0.199 0.000 1.049 372 V CA -0.089 62.279 62.300 0.114 0.000 0.896 372 V CB 0.329 32.253 31.823 0.168 0.000 1.025 372 V HN 0.961 nan 8.190 nan 0.000 0.475 373 S N 4.530 120.327 115.700 0.162 0.000 2.641 373 S HA 0.268 4.742 4.470 0.006 0.000 0.261 373 S C 1.197 175.887 174.600 0.150 0.000 1.257 373 S CA -0.314 58.011 58.200 0.209 0.000 0.983 373 S CB 0.936 64.231 63.200 0.159 0.000 0.990 373 S HN 0.646 nan 8.310 nan 0.000 0.572 374 K N 0.018 120.492 120.400 0.123 0.000 2.097 374 K HA -0.107 4.216 4.320 0.006 0.000 0.206 374 K C 1.877 178.527 176.600 0.082 0.000 1.049 374 K CA 1.790 58.128 56.287 0.086 0.000 0.933 374 K CB -0.808 31.727 32.500 0.060 0.000 0.717 374 K HN 0.897 nan 8.250 nan 0.000 0.442 375 T N -1.640 112.963 114.554 0.083 0.000 3.107 375 T HA 0.208 4.562 4.350 0.006 0.000 0.249 375 T C 0.729 175.480 174.700 0.085 0.000 1.096 375 T CA -0.251 61.894 62.100 0.075 0.000 1.012 375 T CB -0.009 68.898 68.868 0.065 0.000 0.977 375 T HN -0.036 nan 8.240 nan 0.000 0.527 376 M N 1.997 121.659 119.600 0.104 0.000 2.249 376 M HA 0.340 4.824 4.480 0.006 0.000 0.351 376 M C 0.328 176.724 176.300 0.160 0.000 1.180 376 M CA -0.629 54.755 55.300 0.139 0.000 1.127 376 M CB 1.253 33.936 32.600 0.139 0.000 1.546 376 M HN 0.021 nan 8.290 nan 0.000 0.461 377 K N 2.951 123.455 120.400 0.174 0.000 2.448 377 K HA 0.175 4.499 4.320 0.006 0.000 0.278 377 K C -0.858 175.836 176.600 0.156 0.000 1.009 377 K CA 0.050 56.406 56.287 0.116 0.000 0.995 377 K CB 0.466 32.990 32.500 0.040 0.000 0.917 377 K HN 0.585 nan 8.250 nan 0.000 0.481 378 I N 4.816 125.445 120.570 0.097 0.000 2.365 378 I HA 0.131 4.305 4.170 0.006 0.000 0.291 378 I C 0.035 176.168 176.117 0.026 0.000 1.004 378 I CA -0.325 61.044 61.300 0.114 0.000 1.311 378 I CB 1.213 39.271 38.000 0.097 0.000 1.401 378 I HN 0.496 nan 8.210 nan 0.000 0.491 379 K N 7.299 127.720 120.400 0.035 0.000 2.425 379 K HA 0.396 4.720 4.320 0.006 0.000 0.259 379 K C -2.543 174.161 176.600 0.174 0.000 0.978 379 K CA -1.753 54.512 56.287 -0.037 0.000 0.883 379 K CB 1.535 33.796 32.500 -0.397 0.000 1.110 379 K HN 0.236 nan 8.250 nan 0.000 0.436 380 P HA -0.089 nan 4.420 nan 0.000 0.261 380 P C 0.776 178.213 177.300 0.229 0.000 1.183 380 P CA 1.055 64.249 63.100 0.156 0.000 0.761 380 P CB 0.513 32.276 31.700 0.105 0.000 0.785 381 G N 1.577 110.470 108.800 0.155 0.000 2.195 381 G HA2 -0.240 3.724 3.960 0.006 0.000 0.246 381 G HA3 -0.240 3.724 3.960 0.006 0.000 0.246 381 G C -0.386 174.480 174.900 -0.057 0.000 0.984 381 G CA -0.437 44.684 45.100 0.034 0.000 0.633 381 G HN 0.474 nan 8.290 nan 0.000 0.525 382 Y N 0.245 120.611 120.300 0.111 0.000 2.377 382 Y HA 0.598 5.152 4.550 0.006 0.000 0.339 382 Y C 1.364 177.379 175.900 0.192 0.000 1.011 382 Y CA -0.548 57.654 58.100 0.169 0.000 1.093 382 Y CB 1.549 40.137 38.460 0.214 0.000 1.201 382 Y HN 0.164 nan 8.280 nan 0.000 0.455 383 M N 1.489 121.265 119.600 0.293 0.000 2.475 383 M HA 0.595 5.079 4.480 0.006 0.000 0.261 383 M C 0.387 176.801 176.300 0.190 0.000 1.177 383 M CA 0.434 55.852 55.300 0.196 0.000 0.979 383 M CB -0.104 32.556 32.600 0.099 0.000 1.482 383 M HN 0.788 nan 8.290 nan 0.000 0.484 384 G N 1.432 110.372 108.800 0.234 0.000 2.549 384 G HA2 -0.133 3.831 3.960 0.006 0.000 0.404 384 G HA3 -0.133 3.831 3.960 0.006 0.000 0.404 384 G C -0.571 174.299 174.900 -0.050 0.000 1.292 384 G CA -0.410 44.678 45.100 -0.021 0.000 0.935 384 G HN 0.690 nan 8.290 nan 0.000 0.512 385 T N -1.613 112.831 114.554 -0.183 0.000 2.937 385 T HA 0.881 5.235 4.350 0.006 0.000 0.283 385 T C 0.846 175.593 174.700 0.078 0.000 1.012 385 T CA 0.656 62.748 62.100 -0.013 0.000 0.997 385 T CB 1.474 70.236 68.868 -0.176 0.000 1.136 385 T HN 2.401 nan 8.240 nan 0.000 0.551 386 A N 0.786 123.710 122.820 0.173 0.000 2.567 386 A HA 0.514 4.838 4.320 0.006 0.000 0.240 386 A C 0.974 178.554 177.584 -0.008 0.000 1.053 386 A CA -0.111 51.991 52.037 0.109 0.000 0.755 386 A CB -1.145 17.961 19.000 0.176 0.000 0.978 386 A HN 1.439 nan 8.150 nan 0.000 0.507 387 A N 2.492 125.260 122.820 -0.085 0.000 2.466 387 A HA 0.402 4.726 4.320 0.006 0.000 0.238 387 A C 1.700 179.161 177.584 -0.204 0.000 1.074 387 A CA 0.456 52.350 52.037 -0.238 0.000 0.774 387 A CB -0.071 18.660 19.000 -0.449 0.000 1.015 387 A HN 2.068 nan 8.150 nan 0.000 0.498 388 S N 0.625 116.211 115.700 -0.191 0.000 2.399 388 S HA -0.169 4.305 4.470 0.006 0.000 0.231 388 S C 1.657 176.195 174.600 -0.102 0.000 1.022 388 S CA 1.849 59.986 58.200 -0.104 0.000 0.983 388 S CB -0.866 62.291 63.200 -0.072 0.000 0.803 388 S HN 0.714 nan 8.310 nan 0.000 0.480 389 C N 0.542 119.710 119.300 -0.220 0.000 2.432 389 C HA 0.213 4.677 4.460 0.006 0.000 0.282 389 C C 0.292 175.354 174.990 0.120 0.000 1.388 389 C CA -0.132 58.803 59.018 -0.139 0.000 1.777 389 C CB -1.382 26.171 27.740 -0.312 0.000 1.882 389 C HN 0.594 nan 8.230 nan 0.000 0.520 390 Y N 0.151 120.433 120.300 -0.031 0.000 2.377 390 Y HA 0.400 4.954 4.550 0.006 0.000 0.339 390 Y C -0.202 175.713 175.900 0.024 0.000 1.011 390 Y CA -1.968 56.123 58.100 -0.015 0.000 1.093 390 Y CB 0.336 38.780 38.460 -0.027 0.000 1.201 390 Y HN -0.024 nan 8.280 nan 0.000 0.455 391 D N 2.704 123.213 120.400 0.181 0.000 2.479 391 D HA 0.331 4.975 4.640 0.006 0.000 0.218 391 D C -1.056 175.377 176.300 0.222 0.000 1.131 391 D CA -0.034 54.068 54.000 0.170 0.000 0.916 391 D CB 0.304 41.172 40.800 0.112 0.000 1.022 391 D HN 0.177 nan 8.370 nan 0.000 0.515 392 V N 4.511 124.573 119.914 0.247 0.000 2.439 392 V HA 0.389 4.513 4.120 0.006 0.000 0.282 392 V C 0.320 176.662 176.094 0.413 0.000 1.039 392 V CA -0.513 61.916 62.300 0.216 0.000 0.913 392 V CB 1.346 33.152 31.823 -0.028 0.000 0.983 392 V HN 0.447 nan 8.190 nan 0.000 0.460 393 Q N 3.167 123.174 119.800 0.345 0.000 2.544 393 Q HA 0.586 4.930 4.340 0.006 0.000 0.291 393 Q C -1.226 174.883 176.000 0.181 0.000 1.068 393 Q CA -0.833 55.141 55.803 0.284 0.000 0.785 393 Q CB 2.931 31.732 28.738 0.106 0.000 1.481 393 Q HN 0.456 nan 8.270 nan 0.000 0.430 394 I N 2.479 123.114 120.570 0.110 0.000 2.353 394 I HA 0.468 4.642 4.170 0.006 0.000 0.293 394 I C 0.407 176.445 176.117 -0.133 0.000 0.992 394 I CA -0.547 60.761 61.300 0.013 0.000 1.268 394 I CB 0.515 38.533 38.000 0.029 0.000 1.387 394 I HN 0.567 nan 8.210 nan 0.000 0.478 395 I N 2.576 123.035 120.570 -0.185 0.000 2.828 395 I HA 0.637 4.811 4.170 0.006 0.000 0.302 395 I C -0.646 175.375 176.117 -0.161 0.000 1.101 395 I CA -0.854 60.290 61.300 -0.259 0.000 1.031 395 I CB 2.349 40.049 38.000 -0.500 0.000 1.231 395 I HN 0.479 nan 8.210 nan 0.000 0.427 396 D N 2.569 122.890 120.400 -0.132 0.000 2.478 396 D HA 0.124 4.768 4.640 0.006 0.000 0.269 396 D C 0.636 176.890 176.300 -0.076 0.000 1.232 396 D CA -0.109 53.839 54.000 -0.088 0.000 1.059 396 D CB 0.442 41.203 40.800 -0.064 0.000 1.104 396 D HN 0.746 nan 8.370 nan 0.000 0.566 397 D N -1.327 119.039 120.400 -0.057 0.000 2.309 397 D HA -0.157 4.487 4.640 0.006 0.000 0.212 397 D C 0.908 177.188 176.300 -0.033 0.000 0.968 397 D CA 0.881 54.853 54.000 -0.046 0.000 0.882 397 D CB -0.324 40.452 40.800 -0.039 0.000 0.918 397 D HN 0.167 nan 8.370 nan 0.000 0.503 398 K N -1.116 119.267 120.400 -0.028 0.000 2.397 398 K HA 0.471 4.795 4.320 0.006 0.000 0.202 398 K C 1.462 178.063 176.600 0.002 0.000 1.022 398 K CA 0.319 56.600 56.287 -0.010 0.000 1.141 398 K CB 0.085 32.582 32.500 -0.005 0.000 0.857 398 K HN 0.514 nan 8.250 nan 0.000 0.514 399 G N 1.168 109.958 108.800 -0.017 0.000 2.176 399 G HA2 -0.281 3.683 3.960 0.006 0.000 0.253 399 G HA3 -0.281 3.683 3.960 0.006 0.000 0.253 399 G C -0.128 174.759 174.900 -0.022 0.000 0.979 399 G CA 0.149 45.253 45.100 0.007 0.000 0.641 399 G HN 0.564 nan 8.290 nan 0.000 0.530 400 N N -0.458 118.213 118.700 -0.047 0.000 2.515 400 N HA 0.495 5.239 4.740 0.006 0.000 0.279 400 N C 0.334 175.764 175.510 -0.133 0.000 1.164 400 N CA -0.501 52.525 53.050 -0.041 0.000 0.982 400 N CB 1.714 40.195 38.487 -0.010 0.000 1.170 400 N HN 0.073 nan 8.380 nan 0.000 0.474 401 V N 2.212 122.074 119.914 -0.086 0.000 2.637 401 V HA 0.102 4.225 4.120 0.006 0.000 0.296 401 V C 0.358 176.416 176.094 -0.061 0.000 1.046 401 V CA -0.035 62.206 62.300 -0.099 0.000 1.066 401 V CB 0.138 31.964 31.823 0.005 0.000 0.968 401 V HN 0.437 nan 8.190 nan 0.000 0.483 402 L N 6.664 127.845 121.223 -0.069 0.000 2.334 402 L HA 0.573 4.917 4.340 0.006 0.000 0.270 402 L C -2.019 174.830 176.870 -0.035 0.000 1.018 402 L CA -1.773 53.037 54.840 -0.050 0.000 0.811 402 L CB 1.916 43.940 42.059 -0.058 0.000 1.271 402 L HN 0.484 nan 8.230 nan 0.000 0.443 403 P HA 0.257 nan 4.420 nan 0.000 0.276 403 P C -2.693 174.585 177.300 -0.036 0.000 1.252 403 P CA -1.684 61.400 63.100 -0.027 0.000 0.802 403 P CB -0.354 31.334 31.700 -0.021 0.000 1.035 404 P HA -0.020 nan 4.420 nan 0.000 0.266 404 P C 0.894 178.175 177.300 -0.032 0.000 1.193 404 P CA 1.047 64.119 63.100 -0.046 0.000 0.770 404 P CB -0.065 31.609 31.700 -0.043 0.000 0.836 405 G N 1.449 110.234 108.800 -0.026 0.000 2.176 405 G HA2 -0.192 3.772 3.960 0.006 0.000 0.253 405 G HA3 -0.192 3.772 3.960 0.006 0.000 0.253 405 G C 0.109 174.995 174.900 -0.023 0.000 0.979 405 G CA 0.310 45.401 45.100 -0.015 0.000 0.641 405 G HN 0.706 nan 8.290 nan 0.000 0.530 406 T N 0.786 115.321 114.554 -0.032 0.000 2.794 406 T HA 0.535 4.889 4.350 0.006 0.000 0.280 406 T C -0.070 174.604 174.700 -0.044 0.000 0.987 406 T CA -0.339 61.739 62.100 -0.037 0.000 0.993 406 T CB 2.369 71.214 68.868 -0.037 0.000 0.939 406 T HN 0.385 nan 8.240 nan 0.000 0.449 407 E N 1.473 121.642 120.200 -0.052 0.000 2.354 407 E HA 0.525 4.879 4.350 0.006 0.000 0.269 407 E C 0.291 176.850 176.600 -0.067 0.000 1.036 407 E CA -0.240 56.121 56.400 -0.065 0.000 0.876 407 E CB 0.460 30.111 29.700 -0.082 0.000 1.009 407 E HN 0.868 nan 8.360 nan 0.000 0.416 408 G N 3.223 111.981 108.800 -0.071 0.000 2.588 408 G HA2 0.096 4.059 3.960 0.006 0.000 0.281 408 G HA3 0.096 4.059 3.960 0.006 0.000 0.281 408 G C -1.422 173.430 174.900 -0.080 0.000 1.223 408 G CA -0.663 44.390 45.100 -0.078 0.000 0.871 408 G HN 0.540 nan 8.290 nan 0.000 0.492 409 D N 0.915 121.264 120.400 -0.086 0.000 2.232 409 D HA 0.397 5.041 4.640 0.006 0.000 0.242 409 D C 0.208 176.470 176.300 -0.064 0.000 1.093 409 D CA 0.006 53.957 54.000 -0.082 0.000 0.845 409 D CB 2.147 42.889 40.800 -0.096 0.000 1.124 409 D HN 0.241 nan 8.370 nan 0.000 0.467 410 I N 1.662 122.217 120.570 -0.026 0.000 2.556 410 I HA 0.281 4.455 4.170 0.006 0.000 0.284 410 I C 1.189 177.309 176.117 0.005 0.000 1.114 410 I CA 0.289 61.591 61.300 0.004 0.000 1.418 410 I CB 0.842 38.844 38.000 0.003 0.000 1.394 410 I HN 0.274 nan 8.210 nan 0.000 0.552 411 G N 6.484 115.300 108.800 0.027 0.000 2.694 411 G HA2 0.773 4.737 3.960 0.006 0.000 0.290 411 G HA3 0.773 4.737 3.960 0.006 0.000 0.290 411 G C -1.210 173.861 174.900 0.284 0.000 1.386 411 G CA -0.617 44.572 45.100 0.147 0.000 0.872 411 G HN 0.447 nan 8.290 nan 0.000 0.475 412 I N 0.236 120.996 120.570 0.316 0.000 2.509 412 I HA 0.440 4.613 4.170 0.006 0.000 0.293 412 I C 0.367 176.518 176.117 0.057 0.000 1.020 412 I CA -0.858 60.524 61.300 0.137 0.000 1.088 412 I CB 2.338 40.216 38.000 -0.203 0.000 1.267 412 I HN 0.343 nan 8.210 nan 0.000 0.430 413 R N 4.265 124.657 120.500 -0.180 0.000 2.401 413 R HA 0.250 4.594 4.340 0.006 0.000 0.299 413 R C 0.469 176.582 176.300 -0.311 0.000 1.064 413 R CA 0.033 55.771 56.100 -0.603 0.000 1.000 413 R CB 0.748 30.714 30.300 -0.556 0.000 0.973 413 R HN 0.678 nan 8.270 nan 0.000 0.438 414 V N 0.215 119.966 119.914 -0.272 0.000 3.451 414 V HA 0.342 4.465 4.120 0.006 0.000 0.288 414 V C -0.048 175.966 176.094 -0.134 0.000 1.502 414 V CA -0.061 62.144 62.300 -0.157 0.000 1.026 414 V CB 0.095 31.870 31.823 -0.080 0.000 0.840 414 V HN 0.522 nan 8.190 nan 0.000 0.437 415 K N 1.833 122.138 120.400 -0.159 0.000 2.259 415 K HA 0.547 4.871 4.320 0.006 0.000 0.249 415 K C -2.131 174.397 176.600 -0.121 0.000 0.942 415 K CA -1.610 54.613 56.287 -0.107 0.000 0.816 415 K CB 2.450 34.908 32.500 -0.069 0.000 1.155 415 K HN -0.084 nan 8.250 nan 0.000 0.428 416 P HA 0.034 nan 4.420 nan 0.000 0.236 416 P C -0.144 177.119 177.300 -0.061 0.000 1.177 416 P CA 0.745 63.826 63.100 -0.032 0.000 0.773 416 P CB 0.458 32.163 31.700 0.008 0.000 0.878 417 I N 0.458 120.946 120.570 -0.136 0.000 2.389 417 I HA 0.319 4.493 4.170 0.006 0.000 0.288 417 I C 0.573 176.589 176.117 -0.168 0.000 0.999 417 I CA -1.137 60.023 61.300 -0.234 0.000 1.129 417 I CB 2.223 40.051 38.000 -0.286 0.000 1.288 417 I HN -0.270 nan 8.210 nan 0.000 0.444 418 R N 8.411 128.819 120.500 -0.152 0.000 2.234 418 R HA 0.368 4.712 4.340 0.006 0.000 0.324 418 R C -2.400 173.844 176.300 -0.093 0.000 1.054 418 R CA -1.354 54.673 56.100 -0.121 0.000 0.912 418 R CB 0.847 31.081 30.300 -0.111 0.000 1.030 418 R HN 0.262 nan 8.270 nan 0.000 0.455 419 P HA 0.036 nan 4.420 nan 0.000 0.275 419 P C -0.147 177.194 177.300 0.069 0.000 1.228 419 P CA -0.114 63.006 63.100 0.034 0.000 0.786 419 P CB 0.716 32.516 31.700 0.166 0.000 0.927 420 I N 1.569 122.164 120.570 0.042 0.000 2.828 420 I HA 0.025 4.199 4.170 0.006 0.000 0.292 420 I C 1.718 177.886 176.117 0.085 0.000 1.206 420 I CA 1.693 63.003 61.300 0.018 0.000 1.420 420 I CB -0.759 37.217 38.000 -0.040 0.000 1.368 420 I HN 0.806 nan 8.210 nan 0.000 0.556 421 G N 5.874 114.726 108.800 0.087 0.000 2.380 421 G HA2 -0.164 3.799 3.960 0.006 0.000 0.197 421 G HA3 -0.164 3.799 3.960 0.006 0.000 0.197 421 G C 0.213 175.239 174.900 0.210 0.000 1.001 421 G CA -0.719 44.466 45.100 0.142 0.000 0.668 421 G HN 0.383 nan 8.290 nan 0.000 0.483 422 I N 3.049 123.685 120.570 0.110 0.000 2.696 422 I HA 0.389 4.563 4.170 0.006 0.000 0.284 422 I C 1.467 177.558 176.117 -0.042 0.000 1.129 422 I CA -1.206 60.062 61.300 -0.053 0.000 1.410 422 I CB -0.235 37.633 38.000 -0.220 0.000 1.399 422 I HN 0.337 nan 8.210 nan 0.000 0.579 423 F N 3.044 122.685 119.950 -0.516 0.000 2.426 423 F HA 0.231 4.763 4.527 0.007 0.000 0.309 423 F C 1.205 176.681 175.800 -0.539 0.000 1.246 423 F CA -0.552 56.995 58.000 -0.754 0.000 1.229 423 F CB 0.310 38.639 39.000 -1.118 0.000 1.255 423 F HN 0.372 nan 8.300 nan 0.000 0.558 424 S N 0.273 115.510 115.700 -0.771 0.000 2.528 424 S HA 0.415 4.889 4.470 0.006 0.000 0.219 424 S C 0.432 174.454 174.600 -0.963 0.000 0.985 424 S CA 0.489 58.282 58.200 -0.678 0.000 0.914 424 S CB -0.388 62.580 63.200 -0.387 0.000 0.776 424 S HN 1.259 nan 8.310 nan 0.000 0.526 425 G N 0.396 108.093 108.800 -1.840 0.000 2.392 425 G HA2 0.017 3.981 3.960 0.006 0.000 0.677 425 G HA3 0.017 3.981 3.960 0.006 0.000 0.677 425 G C -1.537 172.892 174.900 -0.785 0.000 1.334 425 G CA -1.200 43.012 45.100 -1.481 0.000 0.961 425 G HN 0.093 nan 8.290 nan 0.000 0.616 426 Y N -0.259 119.948 120.300 -0.156 0.000 2.359 426 Y HA 0.463 5.017 4.550 0.006 0.000 0.334 426 Y C 1.357 177.224 175.900 -0.055 0.000 1.058 426 Y CA -0.641 57.483 58.100 0.040 0.000 1.244 426 Y CB 1.248 39.800 38.460 0.153 0.000 1.187 426 Y HN 0.422 nan 8.280 nan 0.000 0.510 427 V N 4.387 124.347 119.914 0.077 0.000 2.740 427 V HA -0.035 4.089 4.120 0.006 0.000 0.303 427 V C 0.240 176.339 176.094 0.009 0.000 1.054 427 V CA -0.109 62.182 62.300 -0.015 0.000 1.106 427 V CB 0.493 32.275 31.823 -0.068 0.000 0.957 427 V HN 0.917 nan 8.190 nan 0.000 0.486 428 D N 2.691 123.087 120.400 -0.007 0.000 2.983 428 D HA -0.192 4.452 4.640 0.006 0.000 0.225 428 D C 0.342 176.658 176.300 0.028 0.000 1.174 428 D CA 1.212 55.214 54.000 0.003 0.000 0.831 428 D CB -1.100 39.698 40.800 -0.003 0.000 1.104 428 D HN 0.799 nan 8.370 nan 0.000 0.421 429 N N -0.667 118.065 118.700 0.053 0.000 2.673 429 N HA 0.101 4.845 4.740 0.006 0.000 0.265 429 N C -2.229 173.346 175.510 0.109 0.000 1.709 429 N CA -0.725 52.377 53.050 0.088 0.000 0.792 429 N CB 1.593 40.153 38.487 0.121 0.000 1.286 429 N HN -0.029 nan 8.380 nan 0.000 0.506 430 P HA -0.027 nan 4.420 nan 0.000 0.223 430 P C 0.776 178.125 177.300 0.082 0.000 1.151 430 P CA 0.977 64.108 63.100 0.051 0.000 0.787 430 P CB 0.573 32.283 31.700 0.017 0.000 0.788 431 D N 0.244 120.692 120.400 0.080 0.000 2.097 431 D HA -0.121 4.523 4.640 0.006 0.000 0.195 431 D C 1.716 178.088 176.300 0.119 0.000 0.989 431 D CA 1.280 55.328 54.000 0.080 0.000 0.827 431 D CB -0.379 40.455 40.800 0.057 0.000 0.966 431 D HN 0.183 nan 8.370 nan 0.000 0.456 432 K N -0.260 120.236 120.400 0.160 0.000 2.365 432 K HA 0.009 4.333 4.320 0.006 0.000 0.199 432 K C 1.900 178.748 176.600 0.413 0.000 1.045 432 K CA 0.785 57.203 56.287 0.220 0.000 0.962 432 K CB 0.169 32.759 32.500 0.150 0.000 0.759 432 K HN 0.071 nan 8.250 nan 0.000 0.469 433 T N 0.594 115.398 114.554 0.416 0.000 2.851 433 T HA -0.057 4.297 4.350 0.006 0.000 0.262 433 T C 2.026 176.917 174.700 0.319 0.000 1.043 433 T CA 1.075 63.428 62.100 0.421 0.000 1.140 433 T CB -0.171 68.791 68.868 0.157 0.000 0.872 433 T HN 0.254 nan 8.240 nan 0.000 0.446 434 A N 1.883 124.815 122.820 0.186 0.000 1.883 434 A HA 0.070 4.394 4.320 0.006 0.000 0.217 434 A C 2.667 180.308 177.584 0.096 0.000 1.186 434 A CA 1.924 54.035 52.037 0.124 0.000 0.624 434 A CB -1.229 17.819 19.000 0.080 0.000 0.822 434 A HN 0.514 nan 8.150 nan 0.000 0.444 435 A N -0.205 122.670 122.820 0.091 0.000 2.024 435 A HA -0.170 4.154 4.320 0.006 0.000 0.220 435 A C 1.560 179.128 177.584 -0.027 0.000 1.164 435 A CA 1.785 53.845 52.037 0.038 0.000 0.643 435 A CB -0.511 18.515 19.000 0.044 0.000 0.806 435 A HN 0.529 nan 8.150 nan 0.000 0.451 436 N N -0.699 117.958 118.700 -0.072 0.000 2.322 436 N HA 0.242 4.986 4.740 0.006 0.000 0.194 436 N C -0.397 174.920 175.510 -0.320 0.000 1.126 436 N CA 0.201 53.031 53.050 -0.368 0.000 0.845 436 N CB 0.166 38.088 38.487 -0.941 0.000 0.976 436 N HN 0.465 nan 8.380 nan 0.000 0.475 437 I N 0.660 121.205 120.570 -0.042 0.000 2.354 437 I HA 0.274 4.448 4.170 0.006 0.000 0.292 437 I C 0.177 176.317 176.117 0.038 0.000 0.989 437 I CA -0.633 60.704 61.300 0.062 0.000 1.188 437 I CB 1.454 39.542 38.000 0.148 0.000 1.342 437 I HN -0.237 nan 8.210 nan 0.000 0.457 438 R N 5.110 125.648 120.500 0.063 0.000 2.451 438 R HA 0.517 4.861 4.340 0.006 0.000 0.307 438 R C 0.465 176.846 176.300 0.133 0.000 0.965 438 R CA 0.290 56.429 56.100 0.064 0.000 0.865 438 R CB 1.385 31.699 30.300 0.023 0.000 1.174 438 R HN 0.880 nan 8.270 nan 0.000 0.455 439 G N 3.892 112.755 108.800 0.105 0.000 2.634 439 G HA2 -0.375 3.588 3.960 0.006 0.000 0.318 439 G HA3 -0.375 3.588 3.960 0.006 0.000 0.318 439 G C 0.158 175.125 174.900 0.112 0.000 1.207 439 G CA 0.700 45.874 45.100 0.124 0.000 0.987 439 G HN 0.676 nan 8.290 nan 0.000 0.547 440 D N 0.690 121.168 120.400 0.130 0.000 2.369 440 D HA 0.363 5.007 4.640 0.006 0.000 0.211 440 D C 0.323 176.467 176.300 -0.259 0.000 1.077 440 D CA 0.177 54.126 54.000 -0.086 0.000 0.842 440 D CB 0.122 40.802 40.800 -0.200 0.000 0.947 440 D HN 0.184 nan 8.370 nan 0.000 0.509 441 F N 0.213 120.189 119.950 0.042 0.000 2.450 441 F HA 0.296 4.826 4.527 0.006 0.000 0.332 441 F C 0.328 176.187 175.800 0.099 0.000 1.093 441 F CA -1.344 56.690 58.000 0.056 0.000 1.003 441 F CB 1.504 40.519 39.000 0.026 0.000 1.151 441 F HN -0.116 nan 8.300 nan 0.000 0.474 442 W N 6.211 127.568 121.300 0.095 0.000 2.322 442 W HA 0.462 5.126 4.660 0.006 0.000 0.307 442 W C -1.595 174.971 176.519 0.078 0.000 1.220 442 W CA -0.809 56.567 57.345 0.051 0.000 1.210 442 W CB 0.748 30.195 29.460 -0.022 0.000 1.223 442 W HN 0.373 nan 8.180 nan 0.000 0.511 443 L N 7.342 128.217 121.223 -0.579 0.000 2.290 443 L HA 0.037 4.381 4.340 0.006 0.000 0.284 443 L C 1.049 177.559 176.870 -0.600 0.000 1.078 443 L CA -0.563 54.008 54.840 -0.448 0.000 0.815 443 L CB 1.201 43.040 42.059 -0.366 0.000 1.162 443 L HN 0.486 nan 8.230 nan 0.000 0.435 444 L N 2.931 124.040 121.223 -0.189 0.000 2.492 444 L HA 0.107 4.451 4.340 0.006 0.000 0.223 444 L C 1.684 178.540 176.870 -0.024 0.000 1.132 444 L CA 1.100 55.924 54.840 -0.026 0.000 0.850 444 L CB -0.362 41.786 42.059 0.149 0.000 0.966 444 L HN 0.994 nan 8.230 nan 0.000 0.454 445 G N -1.081 107.675 108.800 -0.073 0.000 2.148 445 G HA2 -0.239 3.725 3.960 0.006 0.000 0.254 445 G HA3 -0.239 3.725 3.960 0.006 0.000 0.254 445 G C -0.062 174.852 174.900 0.023 0.000 0.981 445 G CA 0.188 45.263 45.100 -0.042 0.000 0.670 445 G HN 0.345 nan 8.290 nan 0.000 0.528 446 D N 0.307 120.756 120.400 0.082 0.000 2.192 446 D HA 0.450 5.094 4.640 0.006 0.000 0.246 446 D C 0.668 176.947 176.300 -0.034 0.000 1.042 446 D CA -0.611 53.457 54.000 0.113 0.000 0.847 446 D CB 1.026 42.060 40.800 0.391 0.000 1.186 446 D HN 0.049 nan 8.370 nan 0.000 0.461 447 R N 0.632 121.023 120.500 -0.182 0.000 2.582 447 R HA 0.673 5.017 4.340 0.006 0.000 0.271 447 R C 0.534 176.700 176.300 -0.223 0.000 1.078 447 R CA -0.411 55.564 56.100 -0.208 0.000 1.127 447 R CB 0.910 31.049 30.300 -0.269 0.000 1.038 447 R HN 0.633 nan 8.270 nan 0.000 0.500 448 G N 0.497 109.220 108.800 -0.129 0.000 2.608 448 G HA2 0.579 4.543 3.960 0.006 0.000 0.291 448 G HA3 0.579 4.543 3.960 0.006 0.000 0.291 448 G C -1.296 173.588 174.900 -0.026 0.000 1.425 448 G CA -0.694 44.364 45.100 -0.070 0.000 0.787 448 G HN 0.375 nan 8.290 nan 0.000 0.484 449 I N 0.109 120.675 120.570 -0.006 0.000 2.608 449 I HA 0.471 4.644 4.170 0.006 0.000 0.295 449 I C -0.292 175.814 176.117 -0.020 0.000 1.049 449 I CA -0.851 60.439 61.300 -0.016 0.000 1.063 449 I CB 2.664 40.645 38.000 -0.033 0.000 1.248 449 I HN 0.366 nan 8.210 nan 0.000 0.424 450 K N 4.229 124.566 120.400 -0.105 0.000 2.182 450 K HA 0.315 4.639 4.320 0.006 0.000 0.262 450 K C -0.985 175.552 176.600 -0.104 0.000 0.957 450 K CA -0.631 55.488 56.287 -0.281 0.000 0.842 450 K CB 1.318 33.542 32.500 -0.461 0.000 1.099 450 K HN 0.652 nan 8.250 nan 0.000 0.438 451 D N 1.863 122.233 120.400 -0.049 0.000 2.529 451 D HA -0.041 4.603 4.640 0.006 0.000 0.273 451 D C 0.718 176.979 176.300 -0.065 0.000 1.197 451 D CA -0.275 53.707 54.000 -0.030 0.000 1.070 451 D CB 0.560 41.312 40.800 -0.080 0.000 1.134 451 D HN 0.702 nan 8.370 nan 0.000 0.590 452 E N -0.928 119.231 120.200 -0.068 0.000 2.333 452 E HA -0.179 4.175 4.350 0.006 0.000 0.198 452 E C -0.017 176.566 176.600 -0.028 0.000 1.007 452 E CA 0.959 57.329 56.400 -0.050 0.000 0.845 452 E CB -0.233 29.436 29.700 -0.052 0.000 0.766 452 E HN 0.334 nan 8.360 nan 0.000 0.507 453 D N -0.253 120.144 120.400 -0.006 0.000 2.398 453 D HA 0.126 4.770 4.640 0.006 0.000 0.210 453 D C 0.973 177.344 176.300 0.118 0.000 1.094 453 D CA 0.641 54.689 54.000 0.080 0.000 0.839 453 D CB 1.158 42.041 40.800 0.140 0.000 0.963 453 D HN 0.382 nan 8.370 nan 0.000 0.506 454 G N 0.832 109.646 108.800 0.024 0.000 2.141 454 G HA2 -0.278 3.686 3.960 0.006 0.000 0.231 454 G HA3 -0.278 3.686 3.960 0.006 0.000 0.231 454 G C -0.075 174.736 174.900 -0.148 0.000 0.984 454 G CA -0.463 44.579 45.100 -0.097 0.000 0.660 454 G HN 0.330 nan 8.290 nan 0.000 0.525 455 Y N -0.332 119.862 120.300 -0.177 0.000 2.319 455 Y HA 0.553 5.107 4.550 0.006 0.000 0.328 455 Y C 0.854 176.733 175.900 -0.036 0.000 1.133 455 Y CA -0.553 57.530 58.100 -0.028 0.000 1.265 455 Y CB 0.495 38.918 38.460 -0.062 0.000 1.218 455 Y HN 0.096 nan 8.280 nan 0.000 0.508 456 F N 2.192 122.308 119.950 0.277 0.000 2.404 456 F HA 0.262 4.793 4.527 0.006 0.000 0.345 456 F C 0.205 176.092 175.800 0.145 0.000 1.110 456 F CA -0.584 57.512 58.000 0.161 0.000 1.130 456 F CB 1.066 40.062 39.000 -0.006 0.000 1.129 456 F HN 0.360 nan 8.300 nan 0.000 0.500 457 Q N 4.312 124.187 119.800 0.125 0.000 2.347 457 Q HA 0.277 4.621 4.340 0.006 0.000 0.262 457 Q C -1.095 174.877 176.000 -0.045 0.000 0.980 457 Q CA -0.922 54.779 55.803 -0.169 0.000 0.867 457 Q CB 0.890 29.298 28.738 -0.550 0.000 1.242 457 Q HN 0.627 nan 8.270 nan 0.000 0.453 458 F N 5.126 124.972 119.950 -0.173 0.000 2.578 458 F HA 0.054 4.585 4.527 0.007 0.000 0.381 458 F C 0.119 175.836 175.800 -0.139 0.000 1.069 458 F CA 0.454 58.355 58.000 -0.164 0.000 1.231 458 F CB 0.631 39.548 39.000 -0.138 0.000 1.086 458 F HN 0.639 nan 8.300 nan 0.000 0.564 459 M N 5.875 125.035 119.600 -0.733 0.000 2.685 459 M HA 0.324 4.808 4.480 0.006 0.000 0.355 459 M C 0.338 176.116 176.300 -0.869 0.000 1.197 459 M CA 0.273 55.196 55.300 -0.628 0.000 0.947 459 M CB -0.557 31.831 32.600 -0.353 0.000 1.346 459 M HN 0.770 nan 8.290 nan 0.000 0.516 460 G N 1.266 109.042 108.800 -1.708 0.000 2.587 460 G HA2 -0.097 3.866 3.960 0.006 0.000 0.686 460 G HA3 -0.097 3.866 3.960 0.006 0.000 0.686 460 G C -0.813 173.719 174.900 -0.613 0.000 1.236 460 G CA -1.122 43.353 45.100 -1.041 0.000 0.820 460 G HN 0.233 nan 8.290 nan 0.000 0.645 461 R N 0.353 120.742 120.500 -0.185 0.000 2.537 461 R HA 0.499 4.843 4.340 0.006 0.000 0.280 461 R C 1.590 177.815 176.300 -0.124 0.000 1.058 461 R CA 0.397 56.471 56.100 -0.043 0.000 1.057 461 R CB 0.788 31.101 30.300 0.022 0.000 0.973 461 R HN 1.245 nan 8.270 nan 0.000 0.438 462 A N 2.435 125.200 122.820 -0.091 0.000 2.206 462 A HA -0.063 4.261 4.320 0.006 0.000 0.211 462 A C 0.348 177.887 177.584 -0.075 0.000 1.158 462 A CA 1.092 53.070 52.037 -0.099 0.000 0.761 462 A CB -0.226 18.720 19.000 -0.090 0.000 0.801 462 A HN 0.782 nan 8.150 nan 0.000 0.473 463 D N -2.578 117.790 120.400 -0.053 0.000 2.898 463 D HA 0.249 4.893 4.640 0.006 0.000 0.266 463 D C -0.571 175.713 176.300 -0.026 0.000 1.173 463 D CA -0.375 53.602 54.000 -0.038 0.000 1.078 463 D CB -0.254 40.529 40.800 -0.029 0.000 1.326 463 D HN -0.154 nan 8.370 nan 0.000 0.622 464 D N -0.634 119.759 120.400 -0.011 0.000 2.328 464 D HA 0.233 4.877 4.640 0.006 0.000 0.221 464 D C 0.322 176.632 176.300 0.017 0.000 1.072 464 D CA -0.119 53.883 54.000 0.003 0.000 0.850 464 D CB 0.064 40.867 40.800 0.005 0.000 0.922 464 D HN 0.340 nan 8.370 nan 0.000 0.516 465 I N 1.214 121.796 120.570 0.020 0.000 2.692 465 I HA 0.007 4.181 4.170 0.006 0.000 0.284 465 I C 0.620 176.764 176.117 0.046 0.000 1.159 465 I CA 0.098 61.419 61.300 0.034 0.000 1.423 465 I CB 0.730 38.755 38.000 0.041 0.000 1.380 465 I HN -0.290 nan 8.210 nan 0.000 0.580 466 I N 5.726 126.328 120.570 0.052 0.000 2.460 466 I HA 0.253 4.427 4.170 0.006 0.000 0.298 466 I C -0.018 176.136 176.117 0.061 0.000 0.989 466 I CA -0.487 60.852 61.300 0.065 0.000 1.173 466 I CB 1.463 39.498 38.000 0.057 0.000 1.338 466 I HN 0.493 nan 8.210 nan 0.000 0.456 467 N N 3.683 122.425 118.700 0.071 0.000 2.524 467 N HA 0.233 4.977 4.740 0.006 0.000 0.261 467 N C -1.388 174.150 175.510 0.047 0.000 0.998 467 N CA -0.080 52.994 53.050 0.040 0.000 0.915 467 N CB 1.554 40.060 38.487 0.031 0.000 1.187 467 N HN 0.495 nan 8.380 nan 0.000 0.507 468 S N 2.525 118.246 115.700 0.035 0.000 2.520 468 S HA 0.572 5.045 4.470 0.006 0.000 0.324 468 S C 0.128 174.746 174.600 0.029 0.000 1.069 468 S CA -0.073 58.147 58.200 0.034 0.000 1.121 468 S CB -0.212 63.002 63.200 0.023 0.000 0.971 468 S HN 0.686 nan 8.310 nan 0.000 0.463 469 S N 3.670 119.372 115.700 0.004 0.000 3.949 469 S HA -0.249 4.225 4.470 0.006 0.000 0.626 469 S C 1.514 176.021 174.600 -0.154 0.000 2.168 469 S CA 0.907 59.090 58.200 -0.029 0.000 4.124 469 S CB -1.693 61.514 63.200 0.011 0.000 0.220 469 S HN 1.206 nan 8.310 nan 0.000 0.750 470 G N 0.692 109.298 108.800 -0.323 0.000 2.553 470 G HA2 -0.141 3.823 3.960 0.006 0.000 0.218 470 G HA3 -0.141 3.823 3.960 0.006 0.000 0.218 470 G C 0.371 174.748 174.900 -0.871 0.000 1.195 470 G CA 1.728 46.338 45.100 -0.817 0.000 0.779 470 G HN 0.592 nan 8.290 nan 0.000 0.577 471 Y N 0.148 120.094 120.300 -0.590 0.000 2.411 471 Y HA 0.351 4.905 4.550 0.006 0.000 0.333 471 Y C 1.007 176.707 175.900 -0.333 0.000 1.186 471 Y CA -0.555 57.179 58.100 -0.610 0.000 1.381 471 Y CB 0.695 38.773 38.460 -0.637 0.000 1.273 471 Y HN 0.050 nan 8.280 nan 0.000 0.546 472 R N 4.180 124.592 120.500 -0.147 0.000 2.229 472 R HA 0.561 4.905 4.340 0.006 0.000 0.328 472 R C -1.614 174.738 176.300 0.087 0.000 1.009 472 R CA -0.224 55.865 56.100 -0.019 0.000 0.864 472 R CB 0.112 30.399 30.300 -0.021 0.000 1.085 472 R HN 0.788 nan 8.270 nan 0.000 0.453 473 I N 3.276 123.903 120.570 0.094 0.000 2.498 473 I HA 0.332 4.506 4.170 0.006 0.000 0.290 473 I C 0.315 176.469 176.117 0.061 0.000 1.032 473 I CA -0.935 60.432 61.300 0.112 0.000 1.073 473 I CB 2.305 40.364 38.000 0.099 0.000 1.251 473 I HN 0.751 nan 8.210 nan 0.000 0.426 474 G N 6.242 115.068 108.800 0.043 0.000 2.325 474 G HA2 0.387 4.351 3.960 0.006 0.000 0.298 474 G HA3 0.387 4.351 3.960 0.006 0.000 0.298 474 G C -1.699 173.200 174.900 -0.001 0.000 1.134 474 G CA -1.186 43.925 45.100 0.019 0.000 0.876 474 G HN 0.386 nan 8.290 nan 0.000 0.452 475 P HA -0.141 nan 4.420 nan 0.000 0.215 475 P C 1.875 179.167 177.300 -0.012 0.000 1.153 475 P CA 1.125 64.225 63.100 0.001 0.000 0.853 475 P CB 0.284 31.991 31.700 0.012 0.000 0.788 476 S N 0.285 115.975 115.700 -0.017 0.000 2.400 476 S HA -0.177 4.297 4.470 0.006 0.000 0.232 476 S C 1.857 176.429 174.600 -0.047 0.000 1.025 476 S CA 1.350 59.535 58.200 -0.026 0.000 0.993 476 S CB -0.738 62.446 63.200 -0.027 0.000 0.808 476 S HN 0.389 nan 8.310 nan 0.000 0.478 477 E N 0.607 120.770 120.200 -0.062 0.000 2.031 477 E HA -0.115 4.239 4.350 0.006 0.000 0.193 477 E C 2.130 178.680 176.600 -0.082 0.000 0.994 477 E CA 1.433 57.777 56.400 -0.094 0.000 0.800 477 E CB -0.237 29.399 29.700 -0.106 0.000 0.752 477 E HN 0.320 nan 8.360 nan 0.000 0.447 478 V N 1.297 121.171 119.914 -0.066 0.000 2.379 478 V HA -0.218 3.906 4.120 0.006 0.000 0.245 478 V C 1.999 178.077 176.094 -0.026 0.000 1.044 478 V CA 1.785 64.051 62.300 -0.056 0.000 1.036 478 V CB -0.541 31.250 31.823 -0.054 0.000 0.664 478 V HN 0.197 nan 8.190 nan 0.000 0.453 479 E N 0.652 120.841 120.200 -0.018 0.000 2.058 479 E HA -0.225 4.129 4.350 0.006 0.000 0.194 479 E C 2.185 178.786 176.600 0.002 0.000 0.997 479 E CA 1.560 57.958 56.400 -0.003 0.000 0.801 479 E CB -0.243 29.457 29.700 0.000 0.000 0.746 479 E HN 0.570 nan 8.360 nan 0.000 0.450 480 N N 0.799 119.492 118.700 -0.012 0.000 2.043 480 N HA -0.194 4.550 4.740 0.006 0.000 0.193 480 N C 1.725 177.247 175.510 0.020 0.000 1.037 480 N CA 1.445 54.491 53.050 -0.007 0.000 0.851 480 N CB -0.662 37.806 38.487 -0.032 0.000 1.027 480 N HN 0.170 nan 8.380 nan 0.000 0.422 481 A N 1.547 124.373 122.820 0.010 0.000 1.859 481 A HA -0.150 4.174 4.320 0.006 0.000 0.217 481 A C 2.438 180.137 177.584 0.192 0.000 1.198 481 A CA 1.390 53.459 52.037 0.054 0.000 0.629 481 A CB -1.075 17.913 19.000 -0.020 0.000 0.830 481 A HN 0.266 nan 8.150 nan 0.000 0.446 482 L N -1.130 120.161 121.223 0.114 0.000 2.042 482 L HA -0.231 4.113 4.340 0.006 0.000 0.210 482 L C 2.729 179.624 176.870 0.041 0.000 1.076 482 L CA 1.279 56.170 54.840 0.086 0.000 0.749 482 L CB -0.422 41.652 42.059 0.025 0.000 0.893 482 L HN 0.390 nan 8.230 nan 0.000 0.432 483 M N -0.842 118.782 119.600 0.040 0.000 2.460 483 M HA -0.152 4.332 4.480 0.006 0.000 0.263 483 M C 1.902 178.210 176.300 0.014 0.000 1.071 483 M CA 1.372 56.681 55.300 0.015 0.000 1.096 483 M CB -0.797 31.811 32.600 0.013 0.000 1.408 483 M HN 0.316 nan 8.290 nan 0.000 0.463 484 E N -1.085 119.153 120.200 0.064 0.000 2.274 484 E HA -0.092 4.262 4.350 0.006 0.000 0.194 484 E C 0.860 177.433 176.600 -0.044 0.000 0.996 484 E CA 0.195 56.635 56.400 0.066 0.000 0.840 484 E CB -0.005 29.807 29.700 0.186 0.000 0.772 484 E HN 0.433 nan 8.360 nan 0.000 0.491 485 H N 0.786 119.671 119.070 -0.308 0.000 2.610 485 H HA 0.044 4.604 4.556 0.007 0.000 0.336 485 H C -1.850 173.311 175.328 -0.278 0.000 1.087 485 H CA -1.808 53.969 56.048 -0.452 0.000 1.405 485 H CB 1.502 30.840 29.762 -0.706 0.000 1.460 485 H HN -0.137 nan 8.280 nan 0.000 0.538 486 P HA 0.026 nan 4.420 nan 0.000 0.233 486 P C 0.765 177.915 177.300 -0.251 0.000 1.167 486 P CA 0.784 63.740 63.100 -0.240 0.000 0.770 486 P CB 0.218 31.800 31.700 -0.196 0.000 0.837 487 A N -0.723 121.855 122.820 -0.403 0.000 2.167 487 A HA 0.080 4.404 4.320 0.006 0.000 0.214 487 A C 0.879 178.235 177.584 -0.380 0.000 1.151 487 A CA 0.576 52.070 52.037 -0.906 0.000 0.735 487 A CB -0.516 17.555 19.000 -1.549 0.000 0.802 487 A HN 0.061 nan 8.150 nan 0.000 0.467 488 V N 1.349 121.155 119.914 -0.180 0.000 2.328 488 V HA 0.210 4.333 4.120 0.006 0.000 0.278 488 V C 1.337 177.401 176.094 -0.050 0.000 1.021 488 V CA 0.113 62.361 62.300 -0.085 0.000 0.838 488 V CB 1.083 32.872 31.823 -0.056 0.000 0.999 488 V HN 0.350 nan 8.190 nan 0.000 0.447 489 V N 1.439 121.338 119.914 -0.025 0.000 2.825 489 V HA 0.379 4.503 4.120 0.006 0.000 0.246 489 V C 0.559 176.655 176.094 0.002 0.000 1.068 489 V CA 0.855 63.149 62.300 -0.009 0.000 1.088 489 V CB 0.140 31.964 31.823 0.001 0.000 0.733 489 V HN 0.810 nan 8.190 nan 0.000 0.468 490 E N -1.115 119.092 120.200 0.012 0.000 2.372 490 E HA 0.571 4.925 4.350 0.006 0.000 0.279 490 E C -1.377 175.243 176.600 0.034 0.000 0.946 490 E CA -0.211 56.200 56.400 0.019 0.000 0.769 490 E CB 2.490 32.201 29.700 0.019 0.000 1.230 490 E HN 0.292 nan 8.360 nan 0.000 0.442 491 T N 0.732 115.306 114.554 0.034 0.000 2.885 491 T HA 0.751 5.105 4.350 0.006 0.000 0.322 491 T C -2.073 172.660 174.700 0.054 0.000 1.387 491 T CA -0.104 62.027 62.100 0.051 0.000 1.041 491 T CB 1.430 70.319 68.868 0.034 0.000 1.287 491 T HN 0.534 nan 8.240 nan 0.000 0.491 492 A N 3.005 125.882 122.820 0.094 0.000 2.375 492 A HA 0.738 5.062 4.320 0.006 0.000 0.295 492 A C -1.054 176.616 177.584 0.144 0.000 1.066 492 A CA -0.513 51.582 52.037 0.096 0.000 0.722 492 A CB 1.484 20.527 19.000 0.072 0.000 1.206 492 A HN 0.753 nan 8.150 nan 0.000 0.435 493 V N 3.918 123.882 119.914 0.084 0.000 2.472 493 V HA 0.697 4.820 4.120 0.006 0.000 0.290 493 V C 0.098 176.242 176.094 0.083 0.000 1.037 493 V CA 0.020 62.358 62.300 0.062 0.000 0.908 493 V CB 1.005 32.835 31.823 0.011 0.000 0.985 493 V HN 0.933 nan 8.190 nan 0.000 0.454 494 I N 1.603 122.231 120.570 0.096 0.000 3.352 494 I HA 0.807 4.981 4.170 0.006 0.000 0.316 494 I C -0.168 176.021 176.117 0.120 0.000 1.214 494 I CA -0.769 60.607 61.300 0.127 0.000 0.934 494 I CB 2.338 40.463 38.000 0.208 0.000 1.310 494 I HN 0.540 nan 8.210 nan 0.000 0.475 495 S N 1.146 116.961 115.700 0.191 0.000 2.616 495 S HA 0.758 5.232 4.470 0.006 0.000 0.277 495 S C -0.302 174.524 174.600 0.377 0.000 1.234 495 S CA -0.332 58.026 58.200 0.262 0.000 1.028 495 S CB 1.380 64.767 63.200 0.311 0.000 0.988 495 S HN 0.958 nan 8.310 nan 0.000 0.522 496 S N 2.279 118.103 115.700 0.207 0.000 2.548 496 S HA 0.631 5.105 4.470 0.006 0.000 0.276 496 S C -3.147 171.235 174.600 -0.364 0.000 1.129 496 S CA -1.483 56.650 58.200 -0.111 0.000 0.931 496 S CB 1.564 64.670 63.200 -0.157 0.000 1.068 496 S HN 0.676 nan 8.310 nan 0.000 0.480 497 P HA 0.322 nan 4.420 nan 0.000 0.271 497 P C -1.228 175.823 177.300 -0.415 0.000 1.216 497 P CA 0.091 62.658 63.100 -0.888 0.000 0.776 497 P CB 0.535 31.492 31.700 -1.239 0.000 0.881 498 D N 2.429 122.680 120.400 -0.248 0.000 2.964 498 D HA 0.320 4.964 4.640 0.006 0.000 0.234 498 D C -1.876 174.365 176.300 -0.099 0.000 1.223 498 D CA -2.060 51.847 54.000 -0.153 0.000 0.889 498 D CB 1.450 42.183 40.800 -0.110 0.000 1.609 498 D HN 0.020 nan 8.370 nan 0.000 0.523 499 P HA -0.029 nan 4.420 nan 0.000 0.226 499 P C 0.881 178.172 177.300 -0.016 0.000 1.153 499 P CA 0.300 63.373 63.100 -0.045 0.000 0.777 499 P CB 0.440 32.116 31.700 -0.041 0.000 0.794 500 V N -0.769 119.136 119.914 -0.015 0.000 3.048 500 V HA 0.125 4.248 4.120 0.006 0.000 0.241 500 V C 2.235 178.339 176.094 0.015 0.000 1.129 500 V CA 0.986 63.290 62.300 0.006 0.000 1.128 500 V CB -0.261 31.566 31.823 0.006 0.000 0.849 500 V HN -0.024 nan 8.190 nan 0.000 0.475 501 R N -0.731 119.770 120.500 0.003 0.000 2.282 501 R HA 0.360 4.703 4.340 0.006 0.000 0.195 501 R C 1.642 177.956 176.300 0.023 0.000 0.909 501 R CA 0.825 56.933 56.100 0.013 0.000 1.039 501 R CB 0.742 31.041 30.300 -0.002 0.000 1.015 501 R HN 0.528 nan 8.270 nan 0.000 0.513 502 G N 1.261 110.071 108.800 0.016 0.000 4.686 502 G HA2 -0.311 3.653 3.960 0.006 0.000 0.235 502 G HA3 -0.311 3.653 3.960 0.006 0.000 0.235 502 G C -0.124 174.813 174.900 0.062 0.000 1.589 502 G CA 0.101 45.231 45.100 0.051 0.000 1.172 502 G HN 0.335 nan 8.290 nan 0.000 0.660 503 E N -0.101 120.148 120.200 0.082 0.000 2.290 503 E HA 0.557 4.910 4.350 0.006 0.000 0.274 503 E C -0.542 176.089 176.600 0.051 0.000 0.889 503 E CA -0.384 56.093 56.400 0.128 0.000 0.760 503 E CB 2.405 32.268 29.700 0.272 0.000 1.206 503 E HN 1.222 nan 8.360 nan 0.000 0.419 504 V N 0.431 120.352 119.914 0.012 0.000 3.102 504 V HA 0.618 4.742 4.120 0.006 0.000 0.312 504 V C -0.602 175.458 176.094 -0.056 0.000 1.135 504 V CA -0.948 61.319 62.300 -0.054 0.000 1.022 504 V CB 1.640 33.390 31.823 -0.121 0.000 1.056 504 V HN 0.424 nan 8.190 nan 0.000 0.436 505 V N 2.393 122.237 119.914 -0.118 0.000 2.508 505 V HA 0.385 4.508 4.120 0.006 0.000 0.281 505 V C 0.248 176.243 176.094 -0.165 0.000 1.041 505 V CA 0.056 62.285 62.300 -0.118 0.000 1.016 505 V CB 0.815 32.544 31.823 -0.156 0.000 0.984 505 V HN 1.034 nan 8.190 nan 0.000 0.478 506 K N 3.872 124.193 120.400 -0.131 0.000 2.324 506 K HA 0.794 5.118 4.320 0.006 0.000 0.253 506 K C -0.804 175.675 176.600 -0.202 0.000 0.932 506 K CA -0.632 55.524 56.287 -0.218 0.000 0.799 506 K CB 1.925 34.260 32.500 -0.274 0.000 1.154 506 K HN 0.749 nan 8.250 nan 0.000 0.425 507 A N 4.201 126.857 122.820 -0.274 0.000 2.303 507 A HA 0.592 4.916 4.320 0.006 0.000 0.320 507 A C -1.383 176.016 177.584 -0.308 0.000 1.192 507 A CA -0.647 51.276 52.037 -0.188 0.000 0.821 507 A CB 0.171 19.083 19.000 -0.147 0.000 1.188 507 A HN 0.613 nan 8.150 nan 0.000 0.492 508 F N 2.014 121.910 119.950 -0.090 0.000 2.410 508 F HA 0.519 5.050 4.527 0.007 0.000 0.349 508 F C 0.223 175.987 175.800 -0.060 0.000 1.117 508 F CA -0.187 57.761 58.000 -0.087 0.000 1.104 508 F CB 1.960 40.932 39.000 -0.046 0.000 1.122 508 F HN 0.266 nan 8.300 nan 0.000 0.483 509 V N 4.478 124.462 119.914 0.116 0.000 2.588 509 V HA 0.399 4.523 4.120 0.006 0.000 0.304 509 V C -0.671 175.546 176.094 0.206 0.000 1.042 509 V CA -0.930 61.449 62.300 0.132 0.000 0.877 509 V CB 2.113 34.009 31.823 0.122 0.000 0.996 509 V HN 0.427 nan 8.190 nan 0.000 0.425 510 V N 6.392 126.387 119.914 0.135 0.000 2.406 510 V HA 0.397 4.521 4.120 0.006 0.000 0.272 510 V C 0.110 176.248 176.094 0.074 0.000 1.043 510 V CA -0.385 61.980 62.300 0.109 0.000 0.915 510 V CB 1.193 33.054 31.823 0.064 0.000 0.988 510 V HN 0.603 nan 8.190 nan 0.000 0.466 511 L N 4.041 125.301 121.223 0.061 0.000 2.375 511 L HA 0.587 4.931 4.340 0.006 0.000 0.271 511 L C 0.986 177.861 176.870 0.008 0.000 1.107 511 L CA -0.290 54.541 54.840 -0.014 0.000 0.806 511 L CB 1.041 43.051 42.059 -0.082 0.000 1.146 511 L HN 0.761 nan 8.230 nan 0.000 0.447 512 A N 1.671 124.493 122.820 0.005 0.000 2.531 512 A HA 0.115 4.439 4.320 0.006 0.000 0.236 512 A C 1.390 179.038 177.584 0.106 0.000 1.062 512 A CA 0.343 52.420 52.037 0.067 0.000 0.760 512 A CB 0.233 19.300 19.000 0.112 0.000 0.995 512 A HN 0.969 nan 8.150 nan 0.000 0.501 513 S N 1.815 117.556 115.700 0.069 0.000 2.400 513 S HA -0.319 4.155 4.470 0.006 0.000 0.234 513 S C 1.326 175.956 174.600 0.050 0.000 1.049 513 S CA 2.098 60.328 58.200 0.049 0.000 1.039 513 S CB -0.514 62.704 63.200 0.030 0.000 0.856 513 S HN 0.784 nan 8.310 nan 0.000 0.465 514 Q N -0.012 119.828 119.800 0.066 0.000 2.488 514 Q HA 0.313 4.657 4.340 0.006 0.000 0.211 514 Q C 0.853 176.757 176.000 -0.161 0.000 0.967 514 Q CA 0.694 56.477 55.803 -0.033 0.000 0.926 514 Q CB -0.410 28.292 28.738 -0.060 0.000 0.992 514 Q HN 0.755 nan 8.270 nan 0.000 0.506 515 F N -1.168 118.710 119.950 -0.120 0.000 2.664 515 F HA 0.207 4.738 4.527 0.006 0.000 0.303 515 F C 1.077 176.777 175.800 -0.166 0.000 1.092 515 F CA -0.083 57.763 58.000 -0.258 0.000 1.305 515 F CB 0.386 39.144 39.000 -0.404 0.000 1.054 515 F HN 0.011 nan 8.300 nan 0.000 0.565 516 L N -0.357 120.887 121.223 0.035 0.000 2.376 516 L HA -0.110 4.234 4.340 0.006 0.000 0.219 516 L C 1.650 178.520 176.870 -0.000 0.000 1.133 516 L CA 1.157 55.993 54.840 -0.006 0.000 0.816 516 L CB -0.215 41.847 42.059 0.005 0.000 0.933 516 L HN 0.176 nan 8.230 nan 0.000 0.449 517 S N -3.528 112.193 115.700 0.036 0.000 2.754 517 S HA 0.176 4.650 4.470 0.006 0.000 0.247 517 S C 0.412 175.046 174.600 0.058 0.000 1.031 517 S CA -0.693 57.525 58.200 0.029 0.000 1.014 517 S CB -0.284 62.918 63.200 0.003 0.000 0.918 517 S HN 0.263 nan 8.310 nan 0.000 0.519 518 H N 1.828 120.856 119.070 -0.070 0.000 2.745 518 H HA 0.100 4.659 4.556 0.006 0.000 0.373 518 H C -0.230 175.079 175.328 -0.032 0.000 1.226 518 H CA 0.106 56.126 56.048 -0.046 0.000 1.435 518 H CB 0.481 30.250 29.762 0.012 0.000 1.461 518 H HN 0.295 nan 8.280 nan 0.000 0.616 519 D N 2.345 122.785 120.400 0.066 0.000 2.389 519 D HA -0.013 4.631 4.640 0.006 0.000 0.263 519 D C -1.690 174.674 176.300 0.107 0.000 1.255 519 D CA -1.652 52.386 54.000 0.063 0.000 0.914 519 D CB 0.934 41.759 40.800 0.041 0.000 1.116 519 D HN 0.266 nan 8.370 nan 0.000 0.502 520 P HA -0.162 nan 4.420 nan 0.000 0.216 520 P C 1.058 178.514 177.300 0.260 0.000 1.150 520 P CA 1.029 64.261 63.100 0.221 0.000 0.843 520 P CB 0.361 32.213 31.700 0.254 0.000 0.787 521 E N -0.356 119.935 120.200 0.152 0.000 2.047 521 E HA -0.222 4.132 4.350 0.006 0.000 0.191 521 E C 2.126 178.792 176.600 0.110 0.000 0.987 521 E CA 1.152 57.619 56.400 0.111 0.000 0.799 521 E CB -0.707 29.034 29.700 0.069 0.000 0.752 521 E HN 0.416 nan 8.360 nan 0.000 0.449 522 Q N 0.258 120.122 119.800 0.106 0.000 2.119 522 Q HA -0.129 4.214 4.340 0.006 0.000 0.201 522 Q C 2.228 178.308 176.000 0.133 0.000 0.972 522 Q CA 0.710 56.574 55.803 0.101 0.000 0.847 522 Q CB -0.007 28.782 28.738 0.085 0.000 0.903 522 Q HN 0.117 nan 8.270 nan 0.000 0.433 523 L N 0.261 121.590 121.223 0.177 0.000 2.093 523 L HA -0.110 4.234 4.340 0.006 0.000 0.208 523 L C 2.057 179.034 176.870 0.179 0.000 1.085 523 L CA 1.931 56.880 54.840 0.182 0.000 0.755 523 L CB -0.741 41.400 42.059 0.137 0.000 0.904 523 L HN 0.174 nan 8.230 nan 0.000 0.435 524 T N -0.390 114.304 114.554 0.234 0.000 2.674 524 T HA -0.222 4.132 4.350 0.006 0.000 0.265 524 T C 1.881 176.620 174.700 0.066 0.000 1.039 524 T CA 1.857 64.037 62.100 0.134 0.000 1.150 524 T CB -0.162 68.745 68.868 0.065 0.000 0.864 524 T HN 0.310 nan 8.240 nan 0.000 0.427 525 K N 0.843 121.284 120.400 0.067 0.000 2.044 525 K HA -0.172 4.152 4.320 0.006 0.000 0.210 525 K C 2.439 179.058 176.600 0.032 0.000 1.049 525 K CA 1.541 57.855 56.287 0.045 0.000 0.927 525 K CB -0.179 32.346 32.500 0.042 0.000 0.713 525 K HN 0.442 nan 8.250 nan 0.000 0.443 526 E N 0.981 121.206 120.200 0.042 0.000 2.070 526 E HA -0.224 4.130 4.350 0.006 0.000 0.197 526 E C 1.982 178.566 176.600 -0.027 0.000 1.004 526 E CA 1.238 57.656 56.400 0.030 0.000 0.805 526 E CB -0.019 29.716 29.700 0.057 0.000 0.744 526 E HN 0.244 nan 8.360 nan 0.000 0.451 527 L N 0.275 121.444 121.223 -0.091 0.000 2.093 527 L HA -0.183 4.160 4.340 0.006 0.000 0.208 527 L C 2.713 179.593 176.870 0.016 0.000 1.085 527 L CA 1.016 55.772 54.840 -0.140 0.000 0.755 527 L CB -0.311 41.649 42.059 -0.165 0.000 0.904 527 L HN 0.208 nan 8.230 nan 0.000 0.435 528 Q N -0.548 119.273 119.800 0.034 0.000 2.020 528 Q HA -0.280 4.064 4.340 0.006 0.000 0.202 528 Q C 2.237 178.226 176.000 -0.018 0.000 0.982 528 Q CA 1.602 57.457 55.803 0.086 0.000 0.838 528 Q CB -0.140 28.683 28.738 0.142 0.000 0.899 528 Q HN 0.283 nan 8.270 nan 0.000 0.423 529 Q N 0.271 120.046 119.800 -0.041 0.000 2.096 529 Q HA -0.239 4.105 4.340 0.006 0.000 0.204 529 Q C 1.731 177.717 176.000 -0.023 0.000 0.982 529 Q CA 2.124 57.887 55.803 -0.066 0.000 0.850 529 Q CB -0.400 28.320 28.738 -0.030 0.000 0.901 529 Q HN 0.544 nan 8.270 nan 0.000 0.422 530 H N -1.019 118.028 119.070 -0.039 0.000 2.319 530 H HA -0.110 4.450 4.556 0.006 0.000 0.297 530 H C 1.670 176.982 175.328 -0.027 0.000 1.097 530 H CA 2.315 58.359 56.048 -0.006 0.000 1.285 530 H CB -0.195 29.585 29.762 0.030 0.000 1.368 530 H HN 0.142 nan 8.280 nan 0.000 0.495 531 V N 0.984 120.850 119.914 -0.079 0.000 2.358 531 V HA -0.225 3.899 4.120 0.006 0.000 0.246 531 V C 2.318 178.303 176.094 -0.182 0.000 1.047 531 V CA 2.195 64.414 62.300 -0.135 0.000 1.035 531 V CB -0.443 31.381 31.823 0.002 0.000 0.658 531 V HN 0.444 nan 8.190 nan 0.000 0.452 532 K N 0.960 121.261 120.400 -0.164 0.000 2.152 532 K HA -0.161 4.163 4.320 0.006 0.000 0.206 532 K C 2.339 178.831 176.600 -0.180 0.000 1.048 532 K CA 1.750 57.919 56.287 -0.197 0.000 0.933 532 K CB -0.331 32.012 32.500 -0.261 0.000 0.721 532 K HN 0.651 nan 8.250 nan 0.000 0.447 533 S N 0.481 116.072 115.700 -0.182 0.000 2.461 533 S HA -0.062 4.412 4.470 0.006 0.000 0.228 533 S C 2.003 176.495 174.600 -0.180 0.000 1.005 533 S CA 0.817 58.923 58.200 -0.158 0.000 0.942 533 S CB -0.208 62.917 63.200 -0.124 0.000 0.776 533 S HN 0.200 nan 8.310 nan 0.000 0.514 534 V N -2.481 117.283 119.914 -0.250 0.000 3.565 534 V HA 0.423 4.547 4.120 0.006 0.000 0.260 534 V C 0.610 176.602 176.094 -0.170 0.000 1.231 534 V CA 0.643 62.813 62.300 -0.217 0.000 1.100 534 V CB -0.147 31.506 31.823 -0.283 0.000 0.807 534 V HN 0.475 nan 8.190 nan 0.000 0.454 535 T N -0.061 114.381 114.554 -0.186 0.000 2.821 535 T HA 0.682 5.035 4.350 0.006 0.000 0.306 535 T C -0.424 174.135 174.700 -0.235 0.000 1.313 535 T CA 0.076 62.060 62.100 -0.194 0.000 1.012 535 T CB 1.505 70.248 68.868 -0.209 0.000 1.298 535 T HN 1.045 nan 8.240 nan 0.000 0.502 536 A N 3.325 125.977 122.820 -0.280 0.000 2.573 536 A HA 0.312 4.636 4.320 0.006 0.000 0.250 536 A C -1.591 175.717 177.584 -0.460 0.000 1.049 536 A CA -0.386 51.452 52.037 -0.332 0.000 0.767 536 A CB -0.390 18.401 19.000 -0.350 0.000 0.965 536 A HN 0.681 nan 8.150 nan 0.000 0.514 537 P HA -0.177 nan 4.420 nan 0.000 0.223 537 P C 0.948 178.166 177.300 -0.135 0.000 1.144 537 P CA 1.571 64.552 63.100 -0.198 0.000 0.783 537 P CB -0.196 31.410 31.700 -0.156 0.000 0.771 538 Y N 1.306 121.458 120.300 -0.247 0.000 2.315 538 Y HA -0.155 4.398 4.550 0.006 0.000 0.288 538 Y C 1.568 177.329 175.900 -0.232 0.000 1.154 538 Y CA 0.969 58.834 58.100 -0.391 0.000 1.229 538 Y CB -1.577 36.238 38.460 -1.074 0.000 0.980 538 Y HN 0.033 nan 8.280 nan 0.000 0.540 539 K N 0.792 120.919 120.400 -0.456 0.000 2.417 539 K HA 0.054 4.377 4.320 0.006 0.000 0.196 539 K C -0.134 176.378 176.600 -0.147 0.000 1.023 539 K CA -0.364 55.764 56.287 -0.264 0.000 1.122 539 K CB -0.779 31.495 32.500 -0.377 0.000 0.850 539 K HN 0.491 nan 8.250 nan 0.000 0.521 540 Y N 1.916 122.095 120.300 -0.202 0.000 2.578 540 Y HA 0.218 4.772 4.550 0.006 0.000 0.339 540 Y C -2.416 173.418 175.900 -0.110 0.000 1.231 540 Y CA -2.650 55.362 58.100 -0.147 0.000 1.461 540 Y CB 0.014 38.394 38.460 -0.134 0.000 1.323 540 Y HN -0.060 nan 8.280 nan 0.000 0.590 541 P HA 0.197 nan 4.420 nan 0.000 0.279 541 P C -0.624 176.437 177.300 -0.399 0.000 1.318 541 P CA -0.141 62.792 63.100 -0.279 0.000 0.819 541 P CB 0.944 32.557 31.700 -0.145 0.000 0.927 542 R N 2.078 122.240 120.500 -0.563 0.000 2.276 542 R HA 0.084 4.428 4.340 0.006 0.000 0.203 542 R C 0.603 176.764 176.300 -0.233 0.000 1.017 542 R CA 0.698 56.519 56.100 -0.465 0.000 1.010 542 R CB 0.101 30.136 30.300 -0.442 0.000 0.900 542 R HN 0.456 nan 8.270 nan 0.000 0.469 543 K N 0.786 121.039 120.400 -0.246 0.000 2.468 543 K HA 0.469 4.793 4.320 0.006 0.000 0.252 543 K C -1.020 175.400 176.600 -0.300 0.000 0.932 543 K CA -0.477 55.665 56.287 -0.242 0.000 0.794 543 K CB 2.586 34.932 32.500 -0.256 0.000 1.241 543 K HN -0.116 nan 8.250 nan 0.000 0.428 544 I N 1.617 121.983 120.570 -0.341 0.000 2.608 544 I HA 0.315 4.489 4.170 0.006 0.000 0.295 544 I C -0.760 174.997 176.117 -0.601 0.000 1.049 544 I CA -0.731 60.277 61.300 -0.486 0.000 1.063 544 I CB 2.337 40.026 38.000 -0.518 0.000 1.248 544 I HN 0.640 nan 8.210 nan 0.000 0.424 545 E N 5.186 124.990 120.200 -0.660 0.000 2.234 545 E HA 0.487 4.841 4.350 0.006 0.000 0.266 545 E C -1.742 174.620 176.600 -0.397 0.000 0.877 545 E CA -0.581 55.516 56.400 -0.505 0.000 0.758 545 E CB 1.564 31.041 29.700 -0.371 0.000 1.170 545 E HN 0.283 nan 8.360 nan 0.000 0.415 546 F N 3.479 123.439 119.950 0.016 0.000 2.394 546 F HA 0.411 4.941 4.527 0.006 0.000 0.340 546 F C 0.245 176.095 175.800 0.084 0.000 1.105 546 F CA -0.501 57.526 58.000 0.045 0.000 1.124 546 F CB 1.417 40.432 39.000 0.025 0.000 1.145 546 F HN 0.259 nan 8.300 nan 0.000 0.505 547 V N 1.457 121.531 119.914 0.268 0.000 3.114 547 V HA 0.450 4.574 4.120 0.006 0.000 0.308 547 V C -0.098 176.072 176.094 0.126 0.000 1.168 547 V CA -1.049 61.358 62.300 0.178 0.000 1.015 547 V CB 1.982 33.903 31.823 0.163 0.000 1.050 547 V HN 0.749 nan 8.190 nan 0.000 0.433 548 L N 1.214 122.486 121.223 0.083 0.000 2.341 548 L HA 0.250 4.594 4.340 0.006 0.000 0.214 548 L C 0.560 177.454 176.870 0.040 0.000 1.115 548 L CA 1.095 55.969 54.840 0.057 0.000 0.820 548 L CB -0.418 41.666 42.059 0.042 0.000 0.944 548 L HN 1.041 nan 8.230 nan 0.000 0.452 549 N N -1.263 117.455 118.700 0.030 0.000 3.046 549 N HA 0.505 5.249 4.740 0.006 0.000 0.243 549 N C -1.314 174.185 175.510 -0.019 0.000 1.452 549 N CA -0.737 52.318 53.050 0.008 0.000 0.882 549 N CB 1.146 39.633 38.487 -0.001 0.000 1.425 549 N HN -0.171 nan 8.380 nan 0.000 0.517 550 L N -0.452 120.750 121.223 -0.036 0.000 2.319 550 L HA 0.734 5.078 4.340 0.006 0.000 0.267 550 L C -2.208 174.616 176.870 -0.078 0.000 1.011 550 L CA -1.948 52.843 54.840 -0.083 0.000 0.818 550 L CB 2.113 44.132 42.059 -0.066 0.000 1.316 550 L HN 0.547 nan 8.230 nan 0.000 0.432 551 P HA 0.291 nan 4.420 nan 0.000 0.279 551 P C -1.524 175.740 177.300 -0.059 0.000 1.239 551 P CA -0.446 62.607 63.100 -0.078 0.000 0.789 551 P CB 0.972 32.616 31.700 -0.093 0.000 0.933 552 K N 0.823 121.197 120.400 -0.042 0.000 2.435 552 K HA 0.419 4.743 4.320 0.006 0.000 0.251 552 K C 0.434 177.017 176.600 -0.027 0.000 0.954 552 K CA -0.582 55.686 56.287 -0.032 0.000 0.820 552 K CB 1.987 34.473 32.500 -0.024 0.000 1.292 552 K HN 0.508 nan 8.250 nan 0.000 0.436 553 T N -2.646 111.894 114.554 -0.023 0.000 2.726 553 T HA 0.031 4.384 4.350 0.006 0.000 0.294 553 T C 1.622 176.312 174.700 -0.016 0.000 1.013 553 T CA -0.220 61.868 62.100 -0.020 0.000 0.996 553 T CB 0.353 69.210 68.868 -0.018 0.000 1.016 553 T HN 0.389 nan 8.240 nan 0.000 0.529 554 V N -1.299 118.606 119.914 -0.015 0.000 2.867 554 V HA -0.000 4.123 4.120 0.006 0.000 0.260 554 V C 2.033 178.122 176.094 -0.010 0.000 1.099 554 V CA 1.682 63.974 62.300 -0.012 0.000 1.122 554 V CB -2.003 29.813 31.823 -0.011 0.000 0.708 554 V HN 1.115 nan 8.190 nan 0.000 0.490 555 T N -3.349 111.199 114.554 -0.010 0.000 3.145 555 T HA 0.524 4.877 4.350 0.006 0.000 0.255 555 T C 1.494 176.190 174.700 -0.008 0.000 1.039 555 T CA 0.612 62.707 62.100 -0.008 0.000 0.928 555 T CB 0.146 69.010 68.868 -0.007 0.000 1.029 555 T HN 1.553 nan 8.240 nan 0.000 0.554 556 G N 1.583 110.377 108.800 -0.010 0.000 2.157 556 G HA2 -0.207 3.757 3.960 0.006 0.000 0.248 556 G HA3 -0.207 3.757 3.960 0.006 0.000 0.248 556 G C -0.030 174.863 174.900 -0.011 0.000 0.979 556 G CA -0.286 44.808 45.100 -0.010 0.000 0.650 556 G HN 0.574 nan 8.290 nan 0.000 0.529 557 K N 0.497 120.890 120.400 -0.013 0.000 2.249 557 K HA 0.486 4.809 4.320 0.006 0.000 0.280 557 K C 0.848 177.437 176.600 -0.019 0.000 1.033 557 K CA -0.628 55.651 56.287 -0.013 0.000 0.946 557 K CB 1.385 33.878 32.500 -0.012 0.000 1.005 557 K HN 0.321 nan 8.250 nan 0.000 0.469 558 I N 2.541 123.100 120.570 -0.019 0.000 2.618 558 I HA -0.086 4.088 4.170 0.006 0.000 0.284 558 I C 0.811 176.909 176.117 -0.031 0.000 1.146 558 I CA 0.388 61.672 61.300 -0.027 0.000 1.425 558 I CB 0.198 38.185 38.000 -0.022 0.000 1.383 558 I HN 0.248 nan 8.210 nan 0.000 0.562 559 Q N 6.389 126.162 119.800 -0.044 0.000 2.566 559 Q HA 0.238 4.582 4.340 0.006 0.000 0.221 559 Q C 0.761 176.731 176.000 -0.051 0.000 1.195 559 Q CA -0.232 55.544 55.803 -0.045 0.000 0.967 559 Q CB 0.757 29.466 28.738 -0.048 0.000 1.337 559 Q HN 0.493 nan 8.270 nan 0.000 0.553 560 R N 0.943 121.424 120.500 -0.031 0.000 2.092 560 R HA -0.123 4.221 4.340 0.006 0.000 0.231 560 R C 2.036 178.330 176.300 -0.010 0.000 1.119 560 R CA 1.236 57.328 56.100 -0.014 0.000 0.970 560 R CB -0.142 30.163 30.300 0.008 0.000 0.864 560 R HN 0.559 nan 8.270 nan 0.000 0.440 561 A N 1.763 124.571 122.820 -0.021 0.000 1.892 561 A HA -0.277 4.047 4.320 0.006 0.000 0.218 561 A C 2.075 179.646 177.584 -0.021 0.000 1.188 561 A CA 1.804 53.825 52.037 -0.025 0.000 0.631 561 A CB -0.449 18.530 19.000 -0.036 0.000 0.822 561 A HN 0.251 nan 8.150 nan 0.000 0.447 562 K N -0.452 119.928 120.400 -0.034 0.000 2.032 562 K HA -0.110 4.214 4.320 0.006 0.000 0.209 562 K C 1.931 178.508 176.600 -0.038 0.000 1.048 562 K CA 1.612 57.876 56.287 -0.039 0.000 0.927 562 K CB -0.342 32.124 32.500 -0.056 0.000 0.712 562 K HN 0.491 nan 8.250 nan 0.000 0.441 563 L N 0.366 121.547 121.223 -0.070 0.000 2.017 563 L HA -0.181 4.163 4.340 0.006 0.000 0.208 563 L C 2.824 179.749 176.870 0.091 0.000 1.073 563 L CA 1.453 56.241 54.840 -0.087 0.000 0.745 563 L CB -0.521 41.388 42.059 -0.250 0.000 0.894 563 L HN 0.272 nan 8.230 nan 0.000 0.432 564 R N 0.529 121.098 120.500 0.115 0.000 2.097 564 R HA -0.223 4.121 4.340 0.006 0.000 0.236 564 R C 1.950 178.386 176.300 0.226 0.000 1.135 564 R CA 2.358 58.577 56.100 0.199 0.000 0.934 564 R CB -0.318 30.037 30.300 0.091 0.000 0.846 564 R HN 0.260 nan 8.270 nan 0.000 0.431 565 D N 0.172 120.632 120.400 0.101 0.000 2.149 565 D HA -0.217 4.427 4.640 0.006 0.000 0.194 565 D C 1.738 178.122 176.300 0.138 0.000 1.001 565 D CA 1.539 55.593 54.000 0.090 0.000 0.849 565 D CB -0.193 40.623 40.800 0.025 0.000 0.939 565 D HN 0.166 nan 8.370 nan 0.000 0.449 566 K N 0.950 121.418 120.400 0.114 0.000 2.002 566 K HA -0.159 4.165 4.320 0.006 0.000 0.209 566 K C 1.874 178.557 176.600 0.138 0.000 1.048 566 K CA 1.368 57.715 56.287 0.099 0.000 0.930 566 K CB -0.406 32.132 32.500 0.062 0.000 0.714 566 K HN -0.106 nan 8.250 nan 0.000 0.438 567 E N -0.790 119.526 120.200 0.194 0.000 2.273 567 E HA -0.143 4.211 4.350 0.006 0.000 0.198 567 E C -0.537 176.080 176.600 0.027 0.000 1.002 567 E CA 1.020 57.503 56.400 0.139 0.000 0.828 567 E CB -0.040 29.789 29.700 0.215 0.000 0.747 567 E HN 0.336 nan 8.360 nan 0.000 0.491 568 W N 1.998 123.312 121.300 0.023 0.000 2.347 568 W HA 0.342 5.006 4.660 0.007 0.000 0.321 568 W C -0.042 176.480 176.519 0.005 0.000 0.971 568 W CA -0.905 56.447 57.345 0.011 0.000 1.508 568 W CB 0.337 29.801 29.460 0.007 0.000 1.299 568 W HN -0.227 nan 8.180 nan 0.000 0.399 569 K N 0.000 120.475 120.400 0.125 0.000 2.780 569 K HA 0.000 4.324 4.320 0.006 0.000 0.191 569 K CA 0.000 56.337 56.287 0.083 0.000 0.838 569 K CB 0.000 32.534 32.500 0.057 0.000 1.064 569 K HN 0.000 nan 8.250 nan 0.000 0.543