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 2vxo_1_A DATA FIRST_RESID 25 DATA SEQUENCE EGAVVILDAG XXYGKVIDRR VRELFVQSEI FPLETPAFAI KEQGFRAIII DATA SEQUENCE SGGPXXXXXX XAPWFDPAIF TIGKPVLGIC YGMQMMNKVF GGTVHKXXXX DATA SEQUENCE XXXVFNISVD NTCSLFRGLQ KEEVVLLTHG DSVDKVADGF KVVARSGNIV DATA SEQUENCE AGIANESKKL YGAQFHPEVG LTENGKVILK NFLYDIAGCS GTFTVQNREL DATA SEQUENCE ECIREIKERV GTSKVLVLLS GGVDSTVCTA LLNRALNQEQ VIAVHIDNGF DATA SEQUENCE MRKRESQSVE EALKKLGIQV KVINAAHSFY NGTTTLPXXX XXXXXXXRIS DATA SEQUENCE KTLNMTTSPE EKRKIIGDTF VKIANEVIGE MNLKPEEVFL AQGTLRPDLI DATA SEQUENCE ESASLVASGK AELIKTHHND TELIRKLREE GKVIEPLKDF HKDEVRILGR DATA SEQUENCE ELGLPEELVS RHPFPGPGLA IRVICAEEPY ICKDFPETNN ILKIVADFSA DATA SEQUENCE SVKKPHTLLQ RVKACTTEED QEKLMQITSL HSLNAFLLPI KTVGVQGDCR DATA SEQUENCE SYSYVCGISS KDEPDWESLI FLARLIPRMC HNVNRVVYIF GPPVKEPPTD DATA SEQUENCE VTPTFLTTGV LSTLRQADFE AHNILRESGY AGKISQMPVI LTPLHFDRDP DATA SEQUENCE LQKQPSCQRS VVIRTFITSD FMTGIPATPG NEIPVEVVLK MVTEIKKIPG DATA SEQUENCE ISRIMYDLTS KPPGTTEWE 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 25 E HA 0.000 nan 4.350 nan 0.000 0.291 25 E C 0.000 176.537 176.600 -0.104 0.000 1.382 25 E CA 0.000 56.288 56.400 -0.187 0.000 0.976 25 E CB 0.000 29.608 29.700 -0.154 0.000 0.812 26 G N -0.964 107.792 108.800 -0.074 0.000 2.175 26 G HA2 0.219 4.156 3.960 -0.037 0.000 0.244 26 G HA3 0.219 4.156 3.960 -0.037 0.000 0.244 26 G C 0.837 175.704 174.900 -0.056 0.000 0.982 26 G CA 0.967 46.038 45.100 -0.049 0.000 0.641 26 G HN 2.087 nan 8.290 nan 0.000 0.527 27 A N -1.077 121.720 122.820 -0.038 0.000 2.263 27 A HA 0.944 5.242 4.320 -0.037 0.000 0.318 27 A C -0.263 177.410 177.584 0.149 0.000 1.111 27 A CA -0.090 51.954 52.037 0.011 0.000 0.901 27 A CB 1.919 20.943 19.000 0.039 0.000 1.280 27 A HN 1.195 nan 8.150 nan 0.000 0.503 28 V N -0.108 119.847 119.914 0.068 0.000 2.638 28 V HA 0.453 4.551 4.120 -0.037 0.000 0.306 28 V C -0.532 175.332 176.094 -0.382 0.000 1.052 28 V CA -0.592 61.670 62.300 -0.062 0.000 0.885 28 V CB 1.597 33.391 31.823 -0.049 0.000 0.999 28 V HN 0.812 nan 8.190 nan 0.000 0.424 29 V N 6.865 126.328 119.914 -0.752 0.000 2.509 29 V HA 0.581 4.679 4.120 -0.037 0.000 0.284 29 V C -0.295 175.487 176.094 -0.521 0.000 1.047 29 V CA -0.145 61.520 62.300 -1.058 0.000 0.952 29 V CB 1.436 32.285 31.823 -1.622 0.000 0.988 29 V HN 0.718 nan 8.190 nan 0.000 0.469 30 I N 7.275 127.593 120.570 -0.421 0.000 2.354 30 I HA 0.410 4.558 4.170 -0.037 0.000 0.292 30 I C -0.644 175.375 176.117 -0.163 0.000 0.989 30 I CA -0.402 60.763 61.300 -0.225 0.000 1.188 30 I CB 1.529 39.445 38.000 -0.141 0.000 1.342 30 I HN 0.383 nan 8.210 nan 0.000 0.457 31 L N 5.746 126.896 121.223 -0.121 0.000 2.294 31 L HA 0.470 4.787 4.340 -0.037 0.000 0.283 31 L C -0.566 176.288 176.870 -0.027 0.000 1.015 31 L CA -0.441 54.364 54.840 -0.057 0.000 0.831 31 L CB 1.252 43.267 42.059 -0.073 0.000 1.217 31 L HN 0.531 nan 8.230 nan 0.000 0.420 32 D N 2.607 123.012 120.400 0.008 0.000 2.163 32 D HA 0.495 5.113 4.640 -0.037 0.000 0.248 32 D C -0.410 175.902 176.300 0.020 0.000 1.035 32 D CA -0.336 53.681 54.000 0.029 0.000 0.872 32 D CB 2.503 43.332 40.800 0.049 0.000 1.183 32 D HN 0.549 nan 8.370 nan 0.000 0.445 33 A N 2.455 125.277 122.820 0.003 0.000 3.257 33 A HA 0.664 4.961 4.320 -0.037 0.000 0.308 33 A C 0.366 177.902 177.584 -0.080 0.000 1.175 33 A CA 0.204 52.198 52.037 -0.073 0.000 1.018 33 A CB -0.201 18.671 19.000 -0.212 0.000 1.088 33 A HN 0.604 nan 8.150 nan 0.000 0.567 38 G N 1.208 110.083 108.800 0.124 0.000 2.529 38 G HA2 -0.301 3.636 3.960 -0.037 0.000 0.219 38 G HA3 -0.301 3.636 3.960 -0.037 0.000 0.219 38 G C 1.691 176.617 174.900 0.044 0.000 1.177 38 G CA 2.118 47.256 45.100 0.064 0.000 0.773 38 G HN 0.247 nan 8.290 nan 0.000 0.573 39 K N -0.087 120.333 120.400 0.033 0.000 2.063 39 K HA -0.049 4.249 4.320 -0.037 0.000 0.208 39 K C 2.756 179.371 176.600 0.024 0.000 1.048 39 K CA 1.208 57.510 56.287 0.025 0.000 0.928 39 K CB -1.075 31.432 32.500 0.012 0.000 0.713 39 K HN 0.313 nan 8.250 nan 0.000 0.442 40 V N 1.168 121.106 119.914 0.040 0.000 2.307 40 V HA -0.174 3.924 4.120 -0.037 0.000 0.245 40 V C 2.244 178.369 176.094 0.051 0.000 1.045 40 V CA 1.911 64.242 62.300 0.051 0.000 1.024 40 V CB -0.670 31.211 31.823 0.098 0.000 0.651 40 V HN 0.335 nan 8.190 nan 0.000 0.449 41 I N 0.552 121.160 120.570 0.064 0.000 2.226 41 I HA -0.260 3.887 4.170 -0.037 0.000 0.245 41 I C 2.343 178.465 176.117 0.008 0.000 1.100 41 I CA 2.047 63.365 61.300 0.031 0.000 1.374 41 I CB -0.508 37.500 38.000 0.015 0.000 1.057 41 I HN 0.354 nan 8.210 nan 0.000 0.413 42 D N 0.950 121.355 120.400 0.009 0.000 2.123 42 D HA -0.210 4.407 4.640 -0.037 0.000 0.196 42 D C 2.464 178.769 176.300 0.009 0.000 0.992 42 D CA 2.028 56.031 54.000 0.005 0.000 0.833 42 D CB 0.082 40.894 40.800 0.020 0.000 0.954 42 D HN 0.185 nan 8.370 nan 0.000 0.455 43 R N 0.736 121.233 120.500 -0.005 0.000 2.066 43 R HA -0.021 4.296 4.340 -0.037 0.000 0.232 43 R C 2.357 178.644 176.300 -0.022 0.000 1.131 43 R CA 1.569 57.650 56.100 -0.031 0.000 0.955 43 R CB -1.208 29.060 30.300 -0.053 0.000 0.851 43 R HN 0.161 nan 8.270 nan 0.000 0.432 44 R N 0.361 120.856 120.500 -0.009 0.000 2.081 44 R HA -0.041 4.277 4.340 -0.037 0.000 0.235 44 R C 2.376 178.665 176.300 -0.017 0.000 1.131 44 R CA 1.513 57.607 56.100 -0.010 0.000 0.960 44 R CB -1.063 29.245 30.300 0.013 0.000 0.856 44 R HN 0.377 nan 8.270 nan 0.000 0.436 45 V N 1.121 121.033 119.914 -0.005 0.000 2.343 45 V HA -0.222 3.876 4.120 -0.037 0.000 0.247 45 V C 2.649 178.748 176.094 0.008 0.000 1.051 45 V CA 1.761 64.059 62.300 -0.004 0.000 1.036 45 V CB -0.559 31.255 31.823 -0.016 0.000 0.654 45 V HN 0.287 nan 8.190 nan 0.000 0.451 46 R N 0.092 120.616 120.500 0.039 0.000 2.091 46 R HA -0.200 4.118 4.340 -0.037 0.000 0.238 46 R C 2.257 178.547 176.300 -0.016 0.000 1.136 46 R CA 1.923 58.098 56.100 0.126 0.000 0.959 46 R CB -0.202 30.190 30.300 0.153 0.000 0.856 46 R HN 0.606 nan 8.270 nan 0.000 0.437 47 E N -0.072 120.062 120.200 -0.110 0.000 2.333 47 E HA -0.144 4.183 4.350 -0.037 0.000 0.198 47 E C 1.150 177.390 176.600 -0.600 0.000 1.007 47 E CA 0.671 56.909 56.400 -0.269 0.000 0.845 47 E CB 0.116 29.727 29.700 -0.148 0.000 0.766 47 E HN 0.372 nan 8.360 nan 0.000 0.507 48 L N -0.096 120.895 121.223 -0.387 0.000 2.653 48 L HA 0.140 4.458 4.340 -0.037 0.000 0.231 48 L C -0.483 176.309 176.870 -0.130 0.000 1.153 48 L CA -0.328 54.317 54.840 -0.325 0.000 0.933 48 L CB 0.163 42.240 42.059 0.030 0.000 1.175 48 L HN 0.109 nan 8.230 nan 0.000 0.473 49 F N -2.095 117.987 119.950 0.221 0.000 3.043 49 F HA -0.207 4.297 4.527 -0.037 0.000 0.290 49 F C -0.103 175.849 175.800 0.254 0.000 0.844 49 F CA -0.101 58.050 58.000 0.252 0.000 1.184 49 F CB -2.377 36.755 39.000 0.219 0.000 1.246 49 F HN -0.160 nan 8.300 nan 0.000 0.536 50 V N 0.076 120.148 119.914 0.263 0.000 2.680 50 V HA 0.397 4.494 4.120 -0.037 0.000 0.309 50 V C 0.336 176.364 176.094 -0.110 0.000 1.052 50 V CA -1.188 61.156 62.300 0.073 0.000 0.908 50 V CB 2.016 33.784 31.823 -0.091 0.000 1.001 50 V HN 0.237 nan 8.190 nan 0.000 0.431 51 Q N 1.765 121.271 119.800 -0.490 0.000 2.313 51 Q HA 0.387 4.704 4.340 -0.037 0.000 0.266 51 Q C -0.425 175.309 176.000 -0.444 0.000 0.989 51 Q CA 0.193 55.358 55.803 -1.063 0.000 0.890 51 Q CB 0.955 28.974 28.738 -1.199 0.000 1.200 51 Q HN 0.764 nan 8.270 nan 0.000 0.396 52 S N 3.779 119.266 115.700 -0.354 0.000 2.789 52 S HA 0.233 4.681 4.470 -0.037 0.000 0.286 52 S C -1.506 173.003 174.600 -0.152 0.000 1.153 52 S CA -0.741 57.343 58.200 -0.193 0.000 1.084 52 S CB 0.681 63.809 63.200 -0.119 0.000 1.036 52 S HN 0.592 nan 8.310 nan 0.000 0.484 53 E N 3.818 123.901 120.200 -0.195 0.000 2.175 53 E HA 0.388 4.715 4.350 -0.037 0.000 0.278 53 E C -0.389 176.039 176.600 -0.287 0.000 0.969 53 E CA -0.549 55.750 56.400 -0.168 0.000 0.796 53 E CB 1.655 31.283 29.700 -0.120 0.000 1.104 53 E HN 0.568 nan 8.360 nan 0.000 0.395 54 I N 2.685 123.219 120.570 -0.060 0.000 2.365 54 I HA 0.266 4.414 4.170 -0.037 0.000 0.291 54 I C -0.232 176.060 176.117 0.291 0.000 1.004 54 I CA -0.352 60.948 61.300 -0.000 0.000 1.311 54 I CB 0.342 38.367 38.000 0.043 0.000 1.401 54 I HN 0.238 nan 8.210 nan 0.000 0.491 55 F N 5.555 125.448 119.950 -0.094 0.000 2.598 55 F HA 0.593 5.098 4.527 -0.038 0.000 0.327 55 F C -2.228 173.543 175.800 -0.050 0.000 1.057 55 F CA -3.161 54.796 58.000 -0.071 0.000 0.957 55 F CB 1.126 40.063 39.000 -0.106 0.000 1.278 55 F HN 0.179 nan 8.300 nan 0.000 0.484 56 P HA 0.144 nan 4.420 nan 0.000 0.274 56 P C 0.873 178.220 177.300 0.078 0.000 1.231 56 P CA -0.324 62.813 63.100 0.061 0.000 0.790 56 P CB 0.806 32.513 31.700 0.011 0.000 0.951 57 L N 2.110 123.379 121.223 0.077 0.000 2.189 57 L HA -0.186 4.132 4.340 -0.037 0.000 0.214 57 L C 1.508 178.466 176.870 0.147 0.000 1.097 57 L CA 1.930 56.830 54.840 0.101 0.000 0.764 57 L CB -0.844 41.285 42.059 0.117 0.000 0.900 57 L HN 0.384 nan 8.230 nan 0.000 0.436 58 E N -1.130 119.150 120.200 0.133 0.000 2.502 58 E HA 0.002 4.330 4.350 -0.037 0.000 0.194 58 E C 0.253 176.908 176.600 0.092 0.000 1.062 58 E CA 0.187 56.680 56.400 0.156 0.000 0.867 58 E CB -0.250 29.536 29.700 0.143 0.000 0.888 58 E HN 0.446 nan 8.360 nan 0.000 0.510 59 T N 4.476 119.063 114.554 0.054 0.000 2.866 59 T HA 0.026 4.354 4.350 -0.037 0.000 0.293 59 T C -2.039 172.647 174.700 -0.023 0.000 1.005 59 T CA -0.704 61.396 62.100 0.000 0.000 1.162 59 T CB 0.407 69.324 68.868 0.082 0.000 0.968 59 T HN 0.090 nan 8.240 nan 0.000 0.530 60 P HA 0.296 nan 4.420 nan 0.000 0.277 60 P C 0.420 177.585 177.300 -0.226 0.000 1.240 60 P CA -0.522 62.457 63.100 -0.201 0.000 0.798 60 P CB 0.823 32.252 31.700 -0.451 0.000 0.979 61 A N 2.446 125.225 122.820 -0.068 0.000 1.969 61 A HA -0.159 4.138 4.320 -0.037 0.000 0.218 61 A C 1.840 179.447 177.584 0.037 0.000 1.169 61 A CA 1.383 53.423 52.037 0.005 0.000 0.635 61 A CB -1.616 17.424 19.000 0.066 0.000 0.810 61 A HN 0.655 nan 8.150 nan 0.000 0.445 62 F N -0.054 119.943 119.950 0.079 0.000 2.171 62 F HA 0.070 4.575 4.527 -0.037 0.000 0.300 62 F C 2.218 178.074 175.800 0.093 0.000 1.090 62 F CA 0.666 58.710 58.000 0.073 0.000 1.293 62 F CB -1.068 37.965 39.000 0.055 0.000 1.013 62 F HN 0.161 nan 8.300 nan 0.000 0.486 63 A N 1.382 123.846 122.820 -0.593 0.000 1.933 63 A HA -0.082 4.215 4.320 -0.037 0.000 0.218 63 A C 2.292 179.926 177.584 0.084 0.000 1.175 63 A CA 2.047 53.935 52.037 -0.249 0.000 0.628 63 A CB -1.284 17.490 19.000 -0.376 0.000 0.814 63 A HN 0.556 nan 8.150 nan 0.000 0.444 64 I N -1.055 119.583 120.570 0.113 0.000 2.353 64 I HA -0.171 3.976 4.170 -0.037 0.000 0.248 64 I C 2.452 178.705 176.117 0.227 0.000 1.119 64 I CA 1.493 62.962 61.300 0.282 0.000 1.417 64 I CB -0.130 37.969 38.000 0.166 0.000 1.078 64 I HN 0.291 nan 8.210 nan 0.000 0.421 65 K N 1.156 121.644 120.400 0.147 0.000 2.057 65 K HA -0.199 4.099 4.320 -0.037 0.000 0.206 65 K C 2.338 178.993 176.600 0.091 0.000 1.050 65 K CA 1.734 58.093 56.287 0.120 0.000 0.935 65 K CB -0.071 32.505 32.500 0.126 0.000 0.715 65 K HN 0.336 nan 8.250 nan 0.000 0.439 66 E N 0.899 121.168 120.200 0.116 0.000 2.110 66 E HA -0.206 4.121 4.350 -0.037 0.000 0.193 66 E C 1.798 178.406 176.600 0.014 0.000 0.988 66 E CA 1.366 57.819 56.400 0.089 0.000 0.804 66 E CB -0.545 29.241 29.700 0.144 0.000 0.745 66 E HN 0.388 nan 8.360 nan 0.000 0.458 67 Q N -1.558 118.230 119.800 -0.019 0.000 2.435 67 Q HA 0.131 4.448 4.340 -0.037 0.000 0.207 67 Q C 1.448 177.221 176.000 -0.378 0.000 0.956 67 Q CA 0.762 56.440 55.803 -0.209 0.000 0.917 67 Q CB 0.708 29.280 28.738 -0.276 0.000 0.997 67 Q HN 0.812 nan 8.270 nan 0.000 0.497 68 G N 1.273 109.945 108.800 -0.213 0.000 2.160 68 G HA2 -0.256 3.682 3.960 -0.037 0.000 0.244 68 G HA3 -0.256 3.682 3.960 -0.037 0.000 0.244 68 G C -0.218 174.572 174.900 -0.183 0.000 1.022 68 G CA -0.192 44.810 45.100 -0.162 0.000 0.741 68 G HN 0.206 nan 8.290 nan 0.000 0.508 69 F N -0.046 119.872 119.950 -0.052 0.000 2.602 69 F HA 0.308 4.812 4.527 -0.037 0.000 0.367 69 F C 2.047 177.805 175.800 -0.070 0.000 1.126 69 F CA 0.182 58.130 58.000 -0.087 0.000 1.321 69 F CB 0.464 39.391 39.000 -0.123 0.000 1.094 69 F HN 0.025 nan 8.300 nan 0.000 0.594 70 R N 1.386 121.957 120.500 0.118 0.000 2.161 70 R HA 0.353 4.671 4.340 -0.037 0.000 0.213 70 R C 0.132 176.433 176.300 0.003 0.000 1.055 70 R CA 0.819 56.931 56.100 0.020 0.000 0.996 70 R CB 0.115 30.390 30.300 -0.042 0.000 0.901 70 R HN 0.682 nan 8.270 nan 0.000 0.456 71 A N 0.363 123.201 122.820 0.029 0.000 2.599 71 A HA 0.629 4.926 4.320 -0.037 0.000 0.290 71 A C -1.479 176.153 177.584 0.079 0.000 1.101 71 A CA -0.730 51.337 52.037 0.051 0.000 0.674 71 A CB 1.339 20.296 19.000 -0.073 0.000 1.277 71 A HN 0.045 nan 8.150 nan 0.000 0.419 72 I N 0.639 121.304 120.570 0.159 0.000 2.498 72 I HA 0.479 4.627 4.170 -0.037 0.000 0.290 72 I C -1.067 175.050 176.117 0.000 0.000 1.032 72 I CA -0.351 60.947 61.300 -0.003 0.000 1.073 72 I CB 1.956 39.914 38.000 -0.069 0.000 1.251 72 I HN 0.473 nan 8.210 nan 0.000 0.426 73 I N 6.702 127.200 120.570 -0.120 0.000 2.406 73 I HA 0.486 4.633 4.170 -0.037 0.000 0.290 73 I C -0.686 175.328 176.117 -0.171 0.000 0.999 73 I CA -0.490 60.687 61.300 -0.204 0.000 1.124 73 I CB 1.844 39.721 38.000 -0.205 0.000 1.289 73 I HN 0.353 nan 8.210 nan 0.000 0.441 74 I N 5.698 126.170 120.570 -0.164 0.000 2.436 74 I HA 0.435 4.583 4.170 -0.037 0.000 0.289 74 I C -0.087 175.973 176.117 -0.096 0.000 1.010 74 I CA -0.147 61.082 61.300 -0.118 0.000 1.098 74 I CB 1.920 39.851 38.000 -0.115 0.000 1.266 74 I HN 0.623 nan 8.210 nan 0.000 0.434 75 S N 3.748 119.421 115.700 -0.045 0.000 2.697 75 S HA 1.034 5.482 4.470 -0.037 0.000 0.289 75 S C -0.483 174.158 174.600 0.068 0.000 1.149 75 S CA -0.730 57.457 58.200 -0.022 0.000 0.850 75 S CB 2.521 65.710 63.200 -0.017 0.000 1.151 75 S HN 1.096 nan 8.310 nan 0.000 0.491 76 G N -0.959 107.905 108.800 0.105 0.000 2.384 76 G HA2 0.533 4.470 3.960 -0.037 0.000 0.300 76 G HA3 0.533 4.470 3.960 -0.037 0.000 0.300 76 G C -0.036 174.970 174.900 0.176 0.000 1.582 76 G CA -0.227 44.949 45.100 0.127 0.000 0.875 76 G HN 1.124 nan 8.290 nan 0.000 0.628 77 G N 0.329 109.239 108.800 0.182 0.000 2.441 77 G HA2 0.621 4.558 3.960 -0.037 0.000 0.258 77 G HA3 0.621 4.558 3.960 -0.037 0.000 0.258 77 G C -1.200 173.763 174.900 0.105 0.000 1.487 77 G CA 0.035 45.262 45.100 0.211 0.000 1.058 77 G HN 0.707 nan 8.290 nan 0.000 0.552 87 P HA 0.112 nan 4.420 nan 0.000 0.269 87 P C -0.432 177.126 177.300 0.430 0.000 1.215 87 P CA -0.147 63.163 63.100 0.350 0.000 0.780 87 P CB 0.496 32.347 31.700 0.251 0.000 0.898 88 W N 3.457 124.841 121.300 0.139 0.000 2.446 88 W HA 0.194 4.831 4.660 -0.038 0.000 0.316 88 W C -0.477 176.144 176.519 0.171 0.000 1.376 88 W CA -0.139 57.254 57.345 0.080 0.000 1.300 88 W CB 0.225 29.707 29.460 0.037 0.000 1.351 88 W HN 0.300 nan 8.180 nan 0.000 0.530 89 F N 2.279 122.271 119.950 0.069 0.000 2.603 89 F HA 0.365 4.870 4.527 -0.037 0.000 0.317 89 F C -0.609 175.189 175.800 -0.003 0.000 1.066 89 F CA -1.582 56.454 58.000 0.060 0.000 0.941 89 F CB 0.770 39.806 39.000 0.059 0.000 1.291 89 F HN -0.039 nan 8.300 nan 0.000 0.472 90 D N 3.853 124.341 120.400 0.147 0.000 2.336 90 D HA 0.271 4.889 4.640 -0.037 0.000 0.249 90 D C -1.593 174.798 176.300 0.152 0.000 1.213 90 D CA -2.618 51.407 54.000 0.043 0.000 0.870 90 D CB 1.410 42.257 40.800 0.078 0.000 1.076 90 D HN 0.334 nan 8.370 nan 0.000 0.483 91 P HA -0.095 nan 4.420 nan 0.000 0.228 91 P C 0.871 178.296 177.300 0.208 0.000 1.151 91 P CA 0.431 63.675 63.100 0.241 0.000 0.770 91 P CB 0.176 31.886 31.700 0.017 0.000 0.786 92 A N 0.839 123.724 122.820 0.108 0.000 2.172 92 A HA -0.108 4.189 4.320 -0.037 0.000 0.216 92 A C 2.151 179.781 177.584 0.077 0.000 1.154 92 A CA 0.823 52.921 52.037 0.102 0.000 0.701 92 A CB -1.472 17.585 19.000 0.095 0.000 0.789 92 A HN 0.369 nan 8.150 nan 0.000 0.465 93 I N -4.613 115.953 120.570 -0.007 0.000 2.423 93 I HA -0.189 3.959 4.170 -0.037 0.000 0.254 93 I C 1.789 177.788 176.117 -0.197 0.000 1.151 93 I CA 1.591 62.796 61.300 -0.158 0.000 1.421 93 I CB -0.529 37.287 38.000 -0.307 0.000 1.079 93 I HN 0.141 nan 8.210 nan 0.000 0.431 94 F N 1.983 122.037 119.950 0.173 0.000 2.615 94 F HA 0.014 4.519 4.527 -0.038 0.000 0.297 94 F C 2.604 178.554 175.800 0.251 0.000 1.124 94 F CA 1.227 59.373 58.000 0.243 0.000 1.451 94 F CB -0.578 38.661 39.000 0.399 0.000 1.103 94 F HN 0.235 nan 8.300 nan 0.000 0.569 95 T N -2.362 112.377 114.554 0.308 0.000 3.001 95 T HA 0.107 4.435 4.350 -0.037 0.000 0.251 95 T C 1.539 176.335 174.700 0.160 0.000 1.040 95 T CA 0.223 62.469 62.100 0.243 0.000 0.985 95 T CB -0.807 68.160 68.868 0.165 0.000 1.011 95 T HN 0.385 nan 8.240 nan 0.000 0.509 96 I N -1.043 119.606 120.570 0.133 0.000 3.550 96 I HA 0.531 4.678 4.170 -0.037 0.000 0.295 96 I C 1.622 177.792 176.117 0.089 0.000 1.291 96 I CA 0.209 61.570 61.300 0.102 0.000 1.298 96 I CB -0.937 37.119 38.000 0.095 0.000 1.026 96 I HN 0.338 nan 8.210 nan 0.000 0.491 97 G N 1.446 110.304 108.800 0.097 0.000 2.141 97 G HA2 -0.265 3.672 3.960 -0.037 0.000 0.242 97 G HA3 -0.265 3.672 3.960 -0.037 0.000 0.242 97 G C 0.052 174.989 174.900 0.062 0.000 0.982 97 G CA -0.123 45.020 45.100 0.071 0.000 0.662 97 G HN 0.525 nan 8.290 nan 0.000 0.527 98 K N 0.892 121.338 120.400 0.077 0.000 2.156 98 K HA 0.510 4.807 4.320 -0.037 0.000 0.271 98 K C -2.355 174.303 176.600 0.097 0.000 0.995 98 K CA -2.125 54.203 56.287 0.069 0.000 0.890 98 K CB 1.398 33.939 32.500 0.069 0.000 1.073 98 K HN -0.037 nan 8.250 nan 0.000 0.454 99 P HA -0.041 nan 4.420 nan 0.000 0.264 99 P C -1.120 176.386 177.300 0.344 0.000 1.183 99 P CA -0.082 63.115 63.100 0.163 0.000 0.763 99 P CB 0.543 32.229 31.700 -0.024 0.000 0.807 100 V N 4.282 124.463 119.914 0.444 0.000 2.638 100 V HA 0.349 4.447 4.120 -0.037 0.000 0.306 100 V C -0.508 175.743 176.094 0.261 0.000 1.052 100 V CA -0.678 61.837 62.300 0.359 0.000 0.885 100 V CB 2.064 34.054 31.823 0.278 0.000 0.999 100 V HN 0.304 nan 8.190 nan 0.000 0.424 101 L N 4.320 125.420 121.223 -0.205 0.000 2.294 101 L HA 0.855 5.172 4.340 -0.037 0.000 0.283 101 L C 0.445 177.156 176.870 -0.265 0.000 1.015 101 L CA 0.060 54.615 54.840 -0.474 0.000 0.831 101 L CB 1.130 42.380 42.059 -1.348 0.000 1.217 101 L HN 0.734 nan 8.230 nan 0.000 0.420 102 G N 6.485 115.204 108.800 -0.136 0.000 2.404 102 G HA2 0.507 4.444 3.960 -0.037 0.000 0.316 102 G HA3 0.507 4.444 3.960 -0.037 0.000 0.316 102 G C -0.487 174.275 174.900 -0.230 0.000 1.074 102 G CA -0.369 44.655 45.100 -0.126 0.000 0.989 102 G HN 0.611 nan 8.290 nan 0.000 0.430 103 I N 2.590 123.001 120.570 -0.265 0.000 2.297 103 I HA 0.231 4.378 4.170 -0.037 0.000 0.291 103 I C 0.998 176.894 176.117 -0.367 0.000 1.033 103 I CA -0.220 60.851 61.300 -0.382 0.000 1.253 103 I CB 0.580 38.335 38.000 -0.409 0.000 1.396 103 I HN 0.670 nan 8.210 nan 0.000 0.476 104 C N 4.270 123.339 119.300 -0.385 0.000 4.624 104 C HA -0.366 4.071 4.460 -0.037 0.000 0.258 104 C C 1.930 176.846 174.990 -0.122 0.000 1.914 104 C CA 1.063 59.916 59.018 -0.275 0.000 1.753 104 C CB -1.711 25.835 27.740 -0.323 0.000 3.227 104 C HN 0.822 nan 8.230 nan 0.000 0.721 105 Y N 2.108 122.315 120.300 -0.154 0.000 2.224 105 Y HA 0.034 4.562 4.550 -0.037 0.000 0.289 105 Y C 2.062 177.885 175.900 -0.128 0.000 1.146 105 Y CA 2.890 60.926 58.100 -0.105 0.000 1.182 105 Y CB -0.845 37.583 38.460 -0.054 0.000 0.983 105 Y HN 0.630 nan 8.280 nan 0.000 0.524 106 G N 0.269 109.061 108.800 -0.015 0.000 2.440 106 G HA2 -0.358 3.580 3.960 -0.037 0.000 0.218 106 G HA3 -0.358 3.580 3.960 -0.037 0.000 0.218 106 G C 1.756 176.575 174.900 -0.136 0.000 1.154 106 G CA 1.063 46.121 45.100 -0.070 0.000 0.767 106 G HN 0.526 nan 8.290 nan 0.000 0.552 107 M N -0.109 119.378 119.600 -0.188 0.000 2.159 107 M HA -0.094 4.364 4.480 -0.037 0.000 0.263 107 M C 2.628 178.753 176.300 -0.291 0.000 1.063 107 M CA 1.433 56.595 55.300 -0.230 0.000 1.110 107 M CB -0.120 32.343 32.600 -0.228 0.000 1.374 107 M HN 0.131 nan 8.290 nan 0.000 0.411 108 Q N 0.282 119.898 119.800 -0.307 0.000 2.050 108 Q HA -0.159 4.158 4.340 -0.037 0.000 0.202 108 Q C 2.068 177.835 176.000 -0.388 0.000 0.980 108 Q CA 1.980 57.572 55.803 -0.352 0.000 0.840 108 Q CB -0.579 27.924 28.738 -0.392 0.000 0.898 108 Q HN 0.663 nan 8.270 nan 0.000 0.424 109 M N 0.005 119.335 119.600 -0.450 0.000 2.073 109 M HA -0.215 4.242 4.480 -0.037 0.000 0.258 109 M C 2.426 178.511 176.300 -0.358 0.000 1.070 109 M CA 1.591 56.685 55.300 -0.344 0.000 1.103 109 M CB -0.498 31.857 32.600 -0.409 0.000 1.321 109 M HN 0.231 nan 8.290 nan 0.000 0.405 110 M N 0.493 119.782 119.600 -0.518 0.000 2.073 110 M HA -0.296 4.161 4.480 -0.037 0.000 0.258 110 M C 1.796 177.732 176.300 -0.607 0.000 1.070 110 M CA 2.304 57.053 55.300 -0.919 0.000 1.103 110 M CB -0.344 31.872 32.600 -0.640 0.000 1.321 110 M HN 0.253 nan 8.290 nan 0.000 0.405 111 N N 0.358 118.739 118.700 -0.532 0.000 2.084 111 N HA -0.212 4.505 4.740 -0.037 0.000 0.190 111 N C 1.667 177.003 175.510 -0.291 0.000 1.030 111 N CA 1.861 54.622 53.050 -0.481 0.000 0.849 111 N CB -0.242 38.003 38.487 -0.403 0.000 1.012 111 N HN 0.343 nan 8.380 nan 0.000 0.423 112 K N -0.085 120.169 120.400 -0.244 0.000 2.032 112 K HA -0.087 4.210 4.320 -0.037 0.000 0.209 112 K C 1.704 178.221 176.600 -0.138 0.000 1.048 112 K CA 1.233 57.424 56.287 -0.160 0.000 0.927 112 K CB -0.207 32.217 32.500 -0.126 0.000 0.712 112 K HN 0.040 nan 8.250 nan 0.000 0.441 113 V N 0.672 120.493 119.914 -0.155 0.000 2.490 113 V HA -0.201 3.896 4.120 -0.037 0.000 0.250 113 V C 1.411 177.273 176.094 -0.386 0.000 1.061 113 V CA 1.548 63.717 62.300 -0.219 0.000 1.064 113 V CB -0.433 31.275 31.823 -0.191 0.000 0.670 113 V HN 0.242 nan 8.190 nan 0.000 0.461 114 F N -0.265 119.562 119.950 -0.204 0.000 2.645 114 F HA 0.498 5.002 4.527 -0.038 0.000 0.300 114 F C 1.628 177.369 175.800 -0.098 0.000 1.115 114 F CA 0.709 58.640 58.000 -0.115 0.000 1.355 114 F CB 0.520 39.487 39.000 -0.056 0.000 1.026 114 F HN 0.206 nan 8.300 nan 0.000 0.536 115 G N -0.356 108.427 108.800 -0.028 0.000 2.313 115 G HA2 -0.214 3.724 3.960 -0.037 0.000 0.215 115 G HA3 -0.214 3.724 3.960 -0.037 0.000 0.215 115 G C 0.930 175.794 174.900 -0.059 0.000 1.023 115 G CA -0.427 44.652 45.100 -0.034 0.000 0.626 115 G HN 0.675 nan 8.290 nan 0.000 0.503 116 G N 0.715 109.462 108.800 -0.087 0.000 2.647 116 G HA2 0.522 4.459 3.960 -0.037 0.000 0.234 116 G HA3 0.522 4.459 3.960 -0.037 0.000 0.234 116 G C 0.602 175.428 174.900 -0.123 0.000 1.252 116 G CA 1.798 46.826 45.100 -0.120 0.000 0.846 116 G HN 1.569 nan 8.290 nan 0.000 0.589 117 T N -2.809 111.670 114.554 -0.124 0.000 2.762 117 T HA 0.744 5.072 4.350 -0.037 0.000 0.272 117 T C -0.435 174.165 174.700 -0.166 0.000 0.982 117 T CA -0.794 61.235 62.100 -0.119 0.000 1.013 117 T CB 1.780 70.597 68.868 -0.085 0.000 1.309 117 T HN 0.651 nan 8.240 nan 0.000 0.572 118 V N 1.087 120.911 119.914 -0.150 0.000 3.130 118 V HA 0.598 4.696 4.120 -0.037 0.000 0.310 118 V C -0.440 175.578 176.094 -0.128 0.000 1.158 118 V CA -0.988 61.193 62.300 -0.198 0.000 1.029 118 V CB 1.968 33.721 31.823 -0.117 0.000 1.057 118 V HN 1.257 nan 8.190 nan 0.000 0.436 119 H N 0.701 119.758 119.070 -0.022 0.000 3.196 119 H HA 0.868 5.402 4.556 -0.038 0.000 0.303 119 H C 0.089 175.413 175.328 -0.006 0.000 1.605 119 H CA -0.269 55.771 56.048 -0.014 0.000 1.351 119 H CB 1.204 30.958 29.762 -0.014 0.000 1.860 119 H HN 0.914 nan 8.280 nan 0.000 0.697 129 F N 1.846 121.780 119.950 -0.028 0.000 2.603 129 F HA 0.589 5.094 4.527 -0.037 0.000 0.317 129 F C 0.223 175.974 175.800 -0.081 0.000 1.066 129 F CA -0.935 57.040 58.000 -0.042 0.000 0.941 129 F CB 1.934 40.917 39.000 -0.029 0.000 1.291 129 F HN 0.439 nan 8.300 nan 0.000 0.472 130 N N 2.692 121.461 118.700 0.114 0.000 2.437 130 N HA 0.438 5.156 4.740 -0.037 0.000 0.243 130 N C -0.947 174.565 175.510 0.002 0.000 1.041 130 N CA -0.324 52.734 53.050 0.014 0.000 0.940 130 N CB 0.221 38.708 38.487 0.000 0.000 1.133 130 N HN 0.591 nan 8.380 nan 0.000 0.506 131 I N 0.017 120.542 120.570 -0.075 0.000 2.947 131 I HA 0.662 4.810 4.170 -0.037 0.000 0.314 131 I C -0.102 175.938 176.117 -0.128 0.000 1.028 131 I CA -1.026 60.211 61.300 -0.105 0.000 1.077 131 I CB 1.821 39.719 38.000 -0.171 0.000 1.274 131 I HN 0.369 nan 8.210 nan 0.000 0.485 132 S N 2.629 118.266 115.700 -0.105 0.000 2.508 132 S HA 0.758 5.206 4.470 -0.037 0.000 0.284 132 S C -0.545 173.974 174.600 -0.136 0.000 1.192 132 S CA -0.617 57.523 58.200 -0.100 0.000 1.070 132 S CB 1.570 64.739 63.200 -0.052 0.000 1.004 132 S HN 0.575 nan 8.310 nan 0.000 0.493 133 V N 2.017 121.832 119.914 -0.165 0.000 2.789 133 V HA 0.412 4.509 4.120 -0.037 0.000 0.311 133 V C -1.012 175.037 176.094 -0.074 0.000 1.073 133 V CA -0.751 61.402 62.300 -0.244 0.000 0.921 133 V CB 2.116 33.623 31.823 -0.527 0.000 1.009 133 V HN 1.048 nan 8.190 nan 0.000 0.426 134 D N 2.988 123.421 120.400 0.054 0.000 2.411 134 D HA 0.141 4.758 4.640 -0.037 0.000 0.225 134 D C 0.888 177.316 176.300 0.213 0.000 1.156 134 D CA -0.373 53.706 54.000 0.131 0.000 0.874 134 D CB 0.648 41.540 40.800 0.154 0.000 1.034 134 D HN 0.597 nan 8.370 nan 0.000 0.502 135 N N 1.489 120.270 118.700 0.134 0.000 2.575 135 N HA -0.132 4.586 4.740 -0.037 0.000 0.192 135 N C 1.185 176.772 175.510 0.129 0.000 1.200 135 N CA 0.712 53.855 53.050 0.155 0.000 0.897 135 N CB -0.289 38.251 38.487 0.088 0.000 0.990 135 N HN 0.372 nan 8.380 nan 0.000 0.449 136 T N -3.959 110.666 114.554 0.118 0.000 3.054 136 T HA 0.039 4.367 4.350 -0.037 0.000 0.259 136 T C 1.015 175.769 174.700 0.091 0.000 1.092 136 T CA -0.289 61.863 62.100 0.086 0.000 1.121 136 T CB -0.899 68.008 68.868 0.065 0.000 0.912 136 T HN 0.333 nan 8.240 nan 0.000 0.489 137 C N 2.603 121.983 119.300 0.132 0.000 2.653 137 C HA 0.425 4.863 4.460 -0.037 0.000 0.421 137 C C 2.282 177.273 174.990 0.003 0.000 1.334 137 C CA 0.023 59.100 59.018 0.098 0.000 1.885 137 C CB -0.492 27.332 27.740 0.141 0.000 2.645 137 C HN 0.634 nan 8.230 nan 0.000 0.601 138 S N 2.992 118.676 115.700 -0.028 0.000 2.387 138 S HA -0.192 4.256 4.470 -0.037 0.000 0.230 138 S C 1.569 175.992 174.600 -0.296 0.000 1.035 138 S CA 1.678 59.802 58.200 -0.127 0.000 1.014 138 S CB -0.365 62.778 63.200 -0.095 0.000 0.836 138 S HN 0.851 nan 8.310 nan 0.000 0.466 139 L N 0.353 121.227 121.223 -0.583 0.000 2.191 139 L HA 0.109 4.427 4.340 -0.037 0.000 0.212 139 L C 0.944 177.578 176.870 -0.393 0.000 1.103 139 L CA 1.652 56.074 54.840 -0.696 0.000 0.769 139 L CB -0.387 41.005 42.059 -1.113 0.000 0.908 139 L HN 0.337 nan 8.230 nan 0.000 0.438 140 F N -1.425 118.522 119.950 -0.004 0.000 2.683 140 F HA 0.283 4.788 4.527 -0.037 0.000 0.306 140 F C 0.629 176.442 175.800 0.021 0.000 1.102 140 F CA -1.154 56.865 58.000 0.031 0.000 1.244 140 F CB 0.076 39.111 39.000 0.058 0.000 1.029 140 F HN -0.270 nan 8.300 nan 0.000 0.545 141 R N 1.001 121.580 120.500 0.132 0.000 2.522 141 R HA 0.211 4.529 4.340 -0.037 0.000 0.284 141 R C 1.171 177.519 176.300 0.081 0.000 1.032 141 R CA 0.266 56.418 56.100 0.087 0.000 1.049 141 R CB -0.430 29.895 30.300 0.042 0.000 0.956 141 R HN 0.506 nan 8.270 nan 0.000 0.422 142 G N 1.468 110.307 108.800 0.065 0.000 2.143 142 G HA2 -0.258 3.679 3.960 -0.037 0.000 0.249 142 G HA3 -0.258 3.679 3.960 -0.037 0.000 0.249 142 G C 0.015 174.945 174.900 0.049 0.000 0.981 142 G CA 0.031 45.160 45.100 0.048 0.000 0.665 142 G HN 0.412 nan 8.290 nan 0.000 0.528 143 L N 0.262 121.523 121.223 0.064 0.000 2.358 143 L HA 0.527 4.845 4.340 -0.037 0.000 0.268 143 L C 0.930 177.807 176.870 0.010 0.000 1.032 143 L CA -1.294 53.568 54.840 0.036 0.000 0.805 143 L CB 0.828 42.911 42.059 0.041 0.000 1.253 143 L HN 0.087 nan 8.230 nan 0.000 0.452 144 Q N 0.696 120.487 119.800 -0.016 0.000 2.417 144 Q HA 0.100 4.418 4.340 -0.037 0.000 0.241 144 Q C 0.548 176.521 176.000 -0.045 0.000 1.008 144 Q CA -0.248 55.539 55.803 -0.025 0.000 0.901 144 Q CB 0.759 29.476 28.738 -0.034 0.000 1.259 144 Q HN 0.474 nan 8.270 nan 0.000 0.489 145 K N 0.569 120.948 120.400 -0.037 0.000 2.211 145 K HA -0.122 4.176 4.320 -0.037 0.000 0.204 145 K C 0.201 176.753 176.600 -0.079 0.000 1.047 145 K CA 1.196 57.454 56.287 -0.048 0.000 0.935 145 K CB 0.167 32.650 32.500 -0.027 0.000 0.728 145 K HN 0.494 nan 8.250 nan 0.000 0.452 146 E N 1.031 121.185 120.200 -0.075 0.000 2.158 146 E HA 0.175 4.502 4.350 -0.037 0.000 0.271 146 E C -0.747 175.786 176.600 -0.112 0.000 0.911 146 E CA -0.390 55.957 56.400 -0.088 0.000 0.767 146 E CB 1.460 31.125 29.700 -0.058 0.000 1.120 146 E HN 0.020 nan 8.360 nan 0.000 0.405 147 E N 1.672 121.778 120.200 -0.157 0.000 2.314 147 E HA 0.260 4.588 4.350 -0.037 0.000 0.272 147 E C -0.953 175.538 176.600 -0.180 0.000 0.884 147 E CA -0.831 55.459 56.400 -0.184 0.000 0.753 147 E CB 2.500 32.031 29.700 -0.281 0.000 1.213 147 E HN 0.171 nan 8.360 nan 0.000 0.432 148 V N 2.739 122.571 119.914 -0.137 0.000 2.427 148 V HA 0.254 4.351 4.120 -0.037 0.000 0.268 148 V C 0.274 176.283 176.094 -0.141 0.000 1.046 148 V CA -0.339 61.897 62.300 -0.108 0.000 0.970 148 V CB 0.738 32.519 31.823 -0.069 0.000 1.001 148 V HN 0.465 nan 8.190 nan 0.000 0.476 149 V N 4.041 123.872 119.914 -0.140 0.000 3.007 149 V HA 0.688 4.785 4.120 -0.037 0.000 0.311 149 V C -0.785 175.336 176.094 0.046 0.000 1.120 149 V CA -1.283 60.931 62.300 -0.143 0.000 0.980 149 V CB 2.081 33.575 31.823 -0.547 0.000 1.033 149 V HN 0.595 nan 8.190 nan 0.000 0.429 150 L N 3.735 125.037 121.223 0.132 0.000 2.295 150 L HA 0.534 4.852 4.340 -0.037 0.000 0.288 150 L C -0.584 176.465 176.870 0.298 0.000 1.079 150 L CA 0.207 55.167 54.840 0.199 0.000 0.830 150 L CB 0.058 42.222 42.059 0.175 0.000 1.200 150 L HN 0.744 nan 8.230 nan 0.000 0.438 151 L N 5.065 126.489 121.223 0.334 0.000 2.275 151 L HA 0.489 4.807 4.340 -0.037 0.000 0.288 151 L C 0.157 177.194 176.870 0.277 0.000 1.046 151 L CA -0.500 54.520 54.840 0.300 0.000 0.805 151 L CB 1.550 43.749 42.059 0.234 0.000 1.193 151 L HN 0.676 nan 8.230 nan 0.000 0.426 152 T N -1.154 113.527 114.554 0.213 0.000 2.907 152 T HA 0.354 4.682 4.350 -0.037 0.000 0.284 152 T C -0.232 174.526 174.700 0.096 0.000 1.004 152 T CA -0.847 61.346 62.100 0.155 0.000 1.063 152 T CB 0.978 69.920 68.868 0.124 0.000 0.992 152 T HN 0.608 nan 8.240 nan 0.000 0.483 153 H N -0.105 119.043 119.070 0.130 0.000 2.815 153 H HA 0.621 5.154 4.556 -0.037 0.000 0.350 153 H C 0.645 176.026 175.328 0.088 0.000 1.080 153 H CA 0.219 56.325 56.048 0.096 0.000 1.433 153 H CB 0.059 29.875 29.762 0.091 0.000 1.432 153 H HN 1.165 nan 8.280 nan 0.000 0.592 154 G N 1.884 110.781 108.800 0.161 0.000 2.332 154 G HA2 -0.003 3.935 3.960 -0.037 0.000 0.265 154 G HA3 -0.003 3.935 3.960 -0.037 0.000 0.265 154 G C -1.266 173.685 174.900 0.085 0.000 1.329 154 G CA -0.558 44.609 45.100 0.112 0.000 0.949 154 G HN 0.707 nan 8.290 nan 0.000 0.476 155 D N 0.331 120.768 120.400 0.062 0.000 2.354 155 D HA 0.489 5.107 4.640 -0.037 0.000 0.238 155 D C 0.636 176.940 176.300 0.007 0.000 1.250 155 D CA 1.441 55.463 54.000 0.036 0.000 0.911 155 D CB 1.163 41.969 40.800 0.010 0.000 1.163 155 D HN 1.048 nan 8.370 nan 0.000 0.456 156 S N -1.364 114.324 115.700 -0.020 0.000 2.535 156 S HA 0.311 4.759 4.470 -0.037 0.000 0.272 156 S C -0.782 173.692 174.600 -0.210 0.000 1.149 156 S CA -1.056 57.111 58.200 -0.055 0.000 0.888 156 S CB 0.815 64.046 63.200 0.051 0.000 1.110 156 S HN 0.125 nan 8.310 nan 0.000 0.463 157 V N 3.122 122.910 119.914 -0.209 0.000 2.673 157 V HA 0.133 4.230 4.120 -0.037 0.000 0.303 157 V C 0.980 176.823 176.094 -0.419 0.000 1.046 157 V CA 0.538 62.676 62.300 -0.269 0.000 1.126 157 V CB 0.804 32.515 31.823 -0.186 0.000 0.934 157 V HN 1.085 nan 8.190 nan 0.000 0.487 158 D N 3.031 123.177 120.400 -0.423 0.000 2.818 158 D HA 0.074 4.691 4.640 -0.037 0.000 0.250 158 D C 0.841 177.052 176.300 -0.149 0.000 1.496 158 D CA -0.253 53.527 54.000 -0.368 0.000 1.192 158 D CB 0.475 41.079 40.800 -0.326 0.000 0.963 158 D HN 0.463 nan 8.370 nan 0.000 0.259 159 K N 1.603 121.936 120.400 -0.112 0.000 2.383 159 K HA 0.187 4.484 4.320 -0.037 0.000 0.286 159 K C -0.733 175.813 176.600 -0.091 0.000 1.051 159 K CA -0.200 56.044 56.287 -0.071 0.000 0.974 159 K CB 0.825 33.294 32.500 -0.052 0.000 0.968 159 K HN -0.044 nan 8.250 nan 0.000 0.475 160 V N 4.379 124.254 119.914 -0.065 0.000 2.461 160 V HA 0.146 4.243 4.120 -0.037 0.000 0.275 160 V C 0.526 176.591 176.094 -0.047 0.000 1.047 160 V CA -0.636 61.620 62.300 -0.073 0.000 0.955 160 V CB 0.781 32.586 31.823 -0.029 0.000 0.988 160 V HN 0.969 nan 8.190 nan 0.000 0.471 161 A N 4.172 126.926 122.820 -0.111 0.000 2.587 161 A HA 0.056 4.354 4.320 -0.037 0.000 0.233 161 A C 0.236 177.899 177.584 0.131 0.000 1.049 161 A CA -0.096 51.920 52.037 -0.035 0.000 0.754 161 A CB -0.281 18.604 19.000 -0.192 0.000 0.977 161 A HN 0.914 nan 8.150 nan 0.000 0.509 162 D N 0.632 121.118 120.400 0.144 0.000 2.455 162 D HA 0.406 5.024 4.640 -0.037 0.000 0.241 162 D C 1.315 177.711 176.300 0.160 0.000 1.138 162 D CA 1.864 55.942 54.000 0.130 0.000 0.877 162 D CB 0.466 41.322 40.800 0.095 0.000 1.187 162 D HN 1.078 nan 8.370 nan 0.000 0.451 163 G N 1.135 109.969 108.800 0.056 0.000 2.195 163 G HA2 -0.277 3.661 3.960 -0.037 0.000 0.246 163 G HA3 -0.277 3.661 3.960 -0.037 0.000 0.246 163 G C 0.141 174.904 174.900 -0.228 0.000 0.984 163 G CA -0.429 44.620 45.100 -0.085 0.000 0.633 163 G HN 0.418 nan 8.290 nan 0.000 0.525 164 F N 0.830 120.692 119.950 -0.146 0.000 2.440 164 F HA 0.723 5.228 4.527 -0.037 0.000 0.328 164 F C 0.594 176.336 175.800 -0.097 0.000 1.070 164 F CA -0.331 57.572 58.000 -0.161 0.000 1.011 164 F CB 1.727 40.615 39.000 -0.188 0.000 1.226 164 F HN 0.039 nan 8.300 nan 0.000 0.491 165 K N 1.321 121.789 120.400 0.113 0.000 2.422 165 K HA 0.594 4.891 4.320 -0.037 0.000 0.251 165 K C -1.765 174.894 176.600 0.099 0.000 0.933 165 K CA -0.682 55.647 56.287 0.069 0.000 0.798 165 K CB 2.034 34.547 32.500 0.020 0.000 1.238 165 K HN 0.436 nan 8.250 nan 0.000 0.428 166 V N 4.215 124.177 119.914 0.080 0.000 2.555 166 V HA 0.068 4.165 4.120 -0.037 0.000 0.286 166 V C 0.878 177.043 176.094 0.118 0.000 1.044 166 V CA -0.094 62.259 62.300 0.088 0.000 1.026 166 V CB 1.028 32.886 31.823 0.058 0.000 0.981 166 V HN 0.713 nan 8.190 nan 0.000 0.480 167 V N 1.298 121.318 119.914 0.178 0.000 3.382 167 V HA 0.822 4.919 4.120 -0.037 0.000 0.296 167 V C 0.285 176.550 176.094 0.285 0.000 1.529 167 V CA 0.412 62.866 62.300 0.256 0.000 1.048 167 V CB 0.188 32.215 31.823 0.339 0.000 0.878 167 V HN 0.948 nan 8.190 nan 0.000 0.442 168 A N 0.423 123.363 122.820 0.201 0.000 2.547 168 A HA 0.909 5.206 4.320 -0.037 0.000 0.297 168 A C -0.839 176.790 177.584 0.074 0.000 1.056 168 A CA -0.723 51.377 52.037 0.106 0.000 0.688 168 A CB 2.147 21.249 19.000 0.170 0.000 1.282 168 A HN 0.329 nan 8.150 nan 0.000 0.400 169 R N 0.259 120.769 120.500 0.017 0.000 2.604 169 R HA 0.656 4.974 4.340 -0.037 0.000 0.281 169 R C -1.143 175.141 176.300 -0.026 0.000 1.020 169 R CA -0.169 55.934 56.100 0.006 0.000 0.899 169 R CB 2.212 32.515 30.300 0.004 0.000 1.205 169 R HN 0.747 nan 8.270 nan 0.000 0.450 170 S N 2.322 118.001 115.700 -0.036 0.000 2.653 170 S HA 0.519 4.967 4.470 -0.037 0.000 0.272 170 S C 0.506 175.058 174.600 -0.079 0.000 1.221 170 S CA 0.463 58.617 58.200 -0.077 0.000 1.149 170 S CB 0.659 63.777 63.200 -0.138 0.000 1.029 170 S HN 0.960 nan 8.310 nan 0.000 0.481 171 G N 5.556 114.325 108.800 -0.051 0.000 2.602 171 G HA2 -0.356 3.581 3.960 -0.037 0.000 0.310 171 G HA3 -0.356 3.581 3.960 -0.037 0.000 0.310 171 G C 0.762 175.649 174.900 -0.023 0.000 1.183 171 G CA 0.678 45.757 45.100 -0.036 0.000 0.979 171 G HN 0.620 nan 8.290 nan 0.000 0.545 172 N N 0.580 119.268 118.700 -0.020 0.000 2.432 172 N HA 0.137 4.854 4.740 -0.037 0.000 0.174 172 N C 1.305 176.824 175.510 0.015 0.000 1.037 172 N CA 0.385 53.436 53.050 0.001 0.000 0.892 172 N CB 0.294 38.783 38.487 0.003 0.000 1.049 172 N HN 0.602 nan 8.380 nan 0.000 0.442 173 I N 2.457 123.027 120.570 0.001 0.000 2.919 173 I HA -0.121 4.026 4.170 -0.037 0.000 0.299 173 I C 0.242 176.363 176.117 0.007 0.000 1.221 173 I CA 0.146 61.453 61.300 0.011 0.000 1.424 173 I CB 0.243 38.225 38.000 -0.030 0.000 1.358 173 I HN -0.235 nan 8.210 nan 0.000 0.551 174 V N 7.633 127.555 119.914 0.012 0.000 2.493 174 V HA -0.000 4.097 4.120 -0.037 0.000 0.292 174 V C 1.116 177.223 176.094 0.021 0.000 1.016 174 V CA 0.759 63.066 62.300 0.010 0.000 1.097 174 V CB 0.857 32.669 31.823 -0.018 0.000 0.947 174 V HN 0.983 nan 8.190 nan 0.000 0.479 175 A N 4.111 126.972 122.820 0.068 0.000 2.343 175 A HA 0.668 4.966 4.320 -0.037 0.000 0.223 175 A C 0.928 178.624 177.584 0.188 0.000 1.214 175 A CA 0.580 52.703 52.037 0.143 0.000 0.900 175 A CB 0.419 19.536 19.000 0.195 0.000 0.942 175 A HN 1.047 nan 8.150 nan 0.000 0.507 176 G N 0.060 108.956 108.800 0.160 0.000 2.768 176 G HA2 0.543 4.480 3.960 -0.037 0.000 0.297 176 G HA3 0.543 4.480 3.960 -0.037 0.000 0.297 176 G C -0.913 174.079 174.900 0.152 0.000 1.430 176 G CA -0.223 45.000 45.100 0.205 0.000 1.030 176 G HN 0.745 nan 8.290 nan 0.000 0.553 177 I N -0.948 119.689 120.570 0.111 0.000 2.934 177 I HA 0.996 5.144 4.170 -0.037 0.000 0.306 177 I C -0.326 175.911 176.117 0.201 0.000 1.110 177 I CA -1.557 59.822 61.300 0.131 0.000 1.019 177 I CB 2.639 40.649 38.000 0.016 0.000 1.227 177 I HN 0.980 nan 8.210 nan 0.000 0.434 178 A N 2.860 125.819 122.820 0.232 0.000 2.540 178 A HA 0.582 4.879 4.320 -0.037 0.000 0.297 178 A C -1.865 175.493 177.584 -0.376 0.000 1.056 178 A CA -0.565 51.458 52.037 -0.024 0.000 0.700 178 A CB 1.521 20.553 19.000 0.055 0.000 1.280 178 A HN 0.731 nan 8.150 nan 0.000 0.398 179 N N 1.640 119.799 118.700 -0.902 0.000 2.518 179 N HA 0.218 4.935 4.740 -0.037 0.000 0.254 179 N C 0.423 175.524 175.510 -0.683 0.000 0.979 179 N CA -0.364 52.101 53.050 -0.974 0.000 0.930 179 N CB 1.257 38.788 38.487 -1.594 0.000 1.152 179 N HN 0.621 nan 8.380 nan 0.000 0.505 180 E N 1.326 121.284 120.200 -0.402 0.000 2.072 180 E HA -0.115 4.213 4.350 -0.037 0.000 0.191 180 E C 1.435 177.915 176.600 -0.200 0.000 0.985 180 E CA 1.200 57.462 56.400 -0.230 0.000 0.801 180 E CB -0.054 29.599 29.700 -0.080 0.000 0.750 180 E HN 0.739 nan 8.360 nan 0.000 0.452 181 S N 1.312 116.888 115.700 -0.206 0.000 2.382 181 S HA -0.089 4.359 4.470 -0.037 0.000 0.228 181 S C 1.744 176.250 174.600 -0.156 0.000 1.027 181 S CA 0.941 59.052 58.200 -0.148 0.000 0.991 181 S CB -0.199 62.925 63.200 -0.128 0.000 0.823 181 S HN 0.153 nan 8.310 nan 0.000 0.469 182 K N 0.968 121.219 120.400 -0.249 0.000 2.404 182 K HA 0.197 4.494 4.320 -0.037 0.000 0.194 182 K C -0.245 176.240 176.600 -0.192 0.000 1.023 182 K CA -0.040 56.124 56.287 -0.206 0.000 1.094 182 K CB -0.010 32.331 32.500 -0.265 0.000 0.841 182 K HN 0.275 nan 8.250 nan 0.000 0.523 183 K N 1.178 121.418 120.400 -0.267 0.000 3.077 183 K HA -0.174 4.123 4.320 -0.037 0.000 0.264 183 K C -0.925 175.492 176.600 -0.306 0.000 1.008 183 K CA 0.435 56.590 56.287 -0.221 0.000 0.740 183 K CB -1.753 30.778 32.500 0.052 0.000 1.273 183 K HN 0.195 nan 8.250 nan 0.000 0.477 184 L N 0.951 121.808 121.223 -0.610 0.000 2.322 184 L HA 0.529 4.847 4.340 -0.037 0.000 0.281 184 L C -0.292 176.238 176.870 -0.567 0.000 1.014 184 L CA -0.952 53.686 54.840 -0.338 0.000 0.815 184 L CB 0.753 42.736 42.059 -0.126 0.000 1.247 184 L HN -0.032 nan 8.230 nan 0.000 0.421 185 Y N 0.736 121.081 120.300 0.074 0.000 2.406 185 Y HA 0.687 5.215 4.550 -0.037 0.000 0.340 185 Y C 0.475 176.332 175.900 -0.071 0.000 0.975 185 Y CA -0.903 57.191 58.100 -0.010 0.000 1.056 185 Y CB 2.421 40.831 38.460 -0.082 0.000 1.210 185 Y HN 0.555 nan 8.280 nan 0.000 0.448 186 G N 1.003 109.835 108.800 0.053 0.000 2.513 186 G HA2 0.727 4.665 3.960 -0.037 0.000 0.317 186 G HA3 0.727 4.665 3.960 -0.037 0.000 0.317 186 G C -1.519 173.309 174.900 -0.121 0.000 1.277 186 G CA -0.916 44.134 45.100 -0.083 0.000 0.955 186 G HN 0.797 nan 8.290 nan 0.000 0.484 187 A N 1.901 124.555 122.820 -0.277 0.000 2.356 187 A HA 0.607 4.904 4.320 -0.037 0.000 0.310 187 A C 0.599 177.861 177.584 -0.537 0.000 1.075 187 A CA -0.608 51.126 52.037 -0.506 0.000 0.746 187 A CB 2.044 20.512 19.000 -0.887 0.000 1.221 187 A HN 0.571 nan 8.150 nan 0.000 0.443 188 Q N 1.410 120.976 119.800 -0.390 0.000 2.123 188 Q HA 0.052 4.370 4.340 -0.037 0.000 0.199 188 Q C 0.383 176.245 176.000 -0.229 0.000 0.966 188 Q CA 1.634 57.306 55.803 -0.219 0.000 0.845 188 Q CB -0.498 28.223 28.738 -0.028 0.000 0.907 188 Q HN 0.794 nan 8.270 nan 0.000 0.439 189 F N -0.991 118.892 119.950 -0.112 0.000 2.368 189 F HA 0.388 4.892 4.527 -0.038 0.000 0.308 189 F C 0.257 175.913 175.800 -0.239 0.000 1.198 189 F CA -0.848 57.098 58.000 -0.091 0.000 1.130 189 F CB 0.253 39.254 39.000 0.002 0.000 1.300 189 F HN -0.091 nan 8.300 nan 0.000 0.537 190 H N 1.814 120.956 119.070 0.119 0.000 2.641 190 H HA 0.191 4.725 4.556 -0.037 0.000 0.295 190 H C -1.856 173.551 175.328 0.131 0.000 1.070 190 H CA -1.523 54.512 56.048 -0.022 0.000 1.257 190 H CB 1.305 30.995 29.762 -0.119 0.000 1.393 190 H HN 0.409 nan 8.280 nan 0.000 0.464 191 P HA -0.096 nan 4.420 nan 0.000 0.236 191 P C 1.195 178.580 177.300 0.140 0.000 1.177 191 P CA 0.631 63.861 63.100 0.215 0.000 0.773 191 P CB 0.449 32.253 31.700 0.173 0.000 0.878 192 E N 0.862 121.134 120.200 0.119 0.000 2.427 192 E HA -0.005 4.323 4.350 -0.037 0.000 0.196 192 E C 0.874 177.538 176.600 0.105 0.000 1.028 192 E CA 0.343 56.802 56.400 0.099 0.000 0.864 192 E CB -0.870 28.886 29.700 0.095 0.000 0.813 192 E HN 0.132 nan 8.360 nan 0.000 0.514 193 V N -1.926 118.064 119.914 0.127 0.000 3.036 193 V HA 0.590 4.688 4.120 -0.037 0.000 0.308 193 V C 1.486 177.625 176.094 0.076 0.000 1.070 193 V CA -0.124 62.235 62.300 0.098 0.000 1.056 193 V CB 1.369 33.254 31.823 0.104 0.000 1.084 193 V HN -0.008 nan 8.190 nan 0.000 0.471 194 G N 0.442 109.273 108.800 0.052 0.000 2.572 194 G HA2 -0.004 3.933 3.960 -0.037 0.000 0.216 194 G HA3 -0.004 3.933 3.960 -0.037 0.000 0.216 194 G C 1.042 175.962 174.900 0.033 0.000 1.133 194 G CA 0.476 45.598 45.100 0.037 0.000 0.791 194 G HN 0.744 nan 8.290 nan 0.000 0.538 195 L N 0.682 121.929 121.223 0.039 0.000 2.201 195 L HA 0.036 4.354 4.340 -0.037 0.000 0.212 195 L C 1.036 177.925 176.870 0.032 0.000 1.105 195 L CA 0.523 55.380 54.840 0.030 0.000 0.775 195 L CB -0.614 41.466 42.059 0.034 0.000 0.913 195 L HN -0.047 nan 8.230 nan 0.000 0.440 196 T N 0.592 115.182 114.554 0.059 0.000 2.776 196 T HA 0.001 4.328 4.350 -0.037 0.000 0.292 196 T C 1.169 175.890 174.700 0.034 0.000 0.921 196 T CA -0.029 62.101 62.100 0.050 0.000 1.038 196 T CB 1.040 69.983 68.868 0.126 0.000 0.910 196 T HN 0.223 nan 8.240 nan 0.000 0.536 197 E N 3.307 123.508 120.200 0.002 0.000 2.085 197 E HA -0.168 4.159 4.350 -0.037 0.000 0.194 197 E C 0.843 177.451 176.600 0.013 0.000 0.994 197 E CA 0.965 57.366 56.400 0.002 0.000 0.801 197 E CB 0.178 29.868 29.700 -0.016 0.000 0.743 197 E HN 0.418 nan 8.360 nan 0.000 0.453 198 N N -0.317 118.391 118.700 0.013 0.000 2.321 198 N HA 0.074 4.791 4.740 -0.037 0.000 0.242 198 N C 0.844 176.399 175.510 0.075 0.000 1.141 198 N CA 0.373 53.443 53.050 0.034 0.000 0.864 198 N CB 0.954 39.453 38.487 0.019 0.000 1.100 198 N HN 0.170 nan 8.380 nan 0.000 0.510 199 G N 0.806 109.658 108.800 0.087 0.000 2.432 199 G HA2 -0.254 3.684 3.960 -0.037 0.000 0.219 199 G HA3 -0.254 3.684 3.960 -0.037 0.000 0.219 199 G C 1.587 176.553 174.900 0.110 0.000 1.135 199 G CA 0.532 45.710 45.100 0.129 0.000 0.767 199 G HN 0.277 nan 8.290 nan 0.000 0.550 200 K N -0.075 120.373 120.400 0.080 0.000 2.097 200 K HA -0.007 4.291 4.320 -0.037 0.000 0.206 200 K C 2.550 179.200 176.600 0.084 0.000 1.049 200 K CA 0.880 57.209 56.287 0.070 0.000 0.933 200 K CB -0.114 32.413 32.500 0.045 0.000 0.717 200 K HN 0.200 nan 8.250 nan 0.000 0.442 201 V N 1.331 121.296 119.914 0.085 0.000 2.295 201 V HA -0.262 3.836 4.120 -0.037 0.000 0.246 201 V C 2.175 178.341 176.094 0.121 0.000 1.049 201 V CA 1.697 64.051 62.300 0.091 0.000 1.024 201 V CB -0.325 31.546 31.823 0.080 0.000 0.648 201 V HN 0.303 nan 8.190 nan 0.000 0.447 202 I N -0.379 120.285 120.570 0.156 0.000 2.127 202 I HA -0.294 3.854 4.170 -0.037 0.000 0.241 202 I C 2.365 178.558 176.117 0.127 0.000 1.075 202 I CA 1.759 63.164 61.300 0.175 0.000 1.334 202 I CB -0.346 37.818 38.000 0.272 0.000 1.040 202 I HN 0.244 nan 8.210 nan 0.000 0.405 203 L N 0.249 121.547 121.223 0.125 0.000 2.079 203 L HA -0.259 4.059 4.340 -0.037 0.000 0.210 203 L C 2.594 179.577 176.870 0.188 0.000 1.081 203 L CA 1.431 56.352 54.840 0.135 0.000 0.752 203 L CB -0.574 41.543 42.059 0.097 0.000 0.896 203 L HN 0.231 nan 8.230 nan 0.000 0.433 204 K N 0.089 120.603 120.400 0.190 0.000 2.026 204 K HA -0.177 4.121 4.320 -0.037 0.000 0.208 204 K C 1.983 178.733 176.600 0.250 0.000 1.048 204 K CA 1.519 57.975 56.287 0.281 0.000 0.929 204 K CB 0.019 32.618 32.500 0.165 0.000 0.713 204 K HN 0.263 nan 8.250 nan 0.000 0.439 205 N N 0.382 119.164 118.700 0.136 0.000 2.094 205 N HA -0.206 4.512 4.740 -0.037 0.000 0.191 205 N C 1.590 177.112 175.510 0.020 0.000 1.023 205 N CA 1.193 54.278 53.050 0.058 0.000 0.857 205 N CB -0.438 38.049 38.487 -0.001 0.000 1.013 205 N HN 0.154 nan 8.380 nan 0.000 0.426 206 F N 1.446 121.338 119.950 -0.096 0.000 2.084 206 F HA -0.010 4.495 4.527 -0.037 0.000 0.296 206 F C 2.104 177.857 175.800 -0.079 0.000 1.111 206 F CA 1.068 58.988 58.000 -0.132 0.000 1.224 206 F CB -0.371 38.552 39.000 -0.129 0.000 0.991 206 F HN -0.077 nan 8.300 nan 0.000 0.471 207 L N -1.462 119.723 121.223 -0.064 0.000 2.027 207 L HA -0.214 4.104 4.340 -0.037 0.000 0.206 207 L C 2.223 178.878 176.870 -0.358 0.000 1.074 207 L CA 1.426 56.102 54.840 -0.274 0.000 0.745 207 L CB -0.929 40.979 42.059 -0.251 0.000 0.898 207 L HN 0.159 nan 8.230 nan 0.000 0.433 208 Y N -0.155 120.099 120.300 -0.076 0.000 2.190 208 Y HA -0.107 4.421 4.550 -0.038 0.000 0.290 208 Y C 2.393 178.245 175.900 -0.080 0.000 1.115 208 Y CA 0.896 58.964 58.100 -0.053 0.000 1.107 208 Y CB -0.418 38.039 38.460 -0.006 0.000 1.033 208 Y HN 0.071 nan 8.280 nan 0.000 0.502 209 D N 0.221 120.678 120.400 0.094 0.000 2.097 209 D HA -0.142 4.476 4.640 -0.037 0.000 0.195 209 D C 1.971 178.239 176.300 -0.053 0.000 0.989 209 D CA 1.701 55.710 54.000 0.015 0.000 0.827 209 D CB -0.211 40.588 40.800 -0.002 0.000 0.966 209 D HN 0.263 nan 8.370 nan 0.000 0.456 210 I N 0.286 120.775 120.570 -0.135 0.000 2.364 210 I HA -0.041 4.106 4.170 -0.037 0.000 0.241 210 I C 2.223 178.206 176.117 -0.223 0.000 1.082 210 I CA 0.796 61.992 61.300 -0.173 0.000 1.401 210 I CB -0.096 37.756 38.000 -0.247 0.000 1.126 210 I HN -0.058 nan 8.210 nan 0.000 0.429 211 A N 0.159 122.752 122.820 -0.379 0.000 2.072 211 A HA 0.243 4.541 4.320 -0.037 0.000 0.216 211 A C 1.893 179.358 177.584 -0.199 0.000 1.156 211 A CA 0.884 52.708 52.037 -0.355 0.000 0.701 211 A CB -0.685 17.986 19.000 -0.549 0.000 0.816 211 A HN 0.596 nan 8.150 nan 0.000 0.458 212 G N -1.433 107.275 108.800 -0.152 0.000 2.160 212 G HA2 -0.282 3.656 3.960 -0.037 0.000 0.251 212 G HA3 -0.282 3.656 3.960 -0.037 0.000 0.251 212 G C 0.234 175.083 174.900 -0.086 0.000 1.008 212 G CA 0.089 45.144 45.100 -0.075 0.000 0.724 212 G HN 0.670 nan 8.290 nan 0.000 0.514 213 C N 1.180 120.370 119.300 -0.183 0.000 2.642 213 C HA 0.469 4.906 4.460 -0.037 0.000 0.420 213 C C 2.111 177.017 174.990 -0.140 0.000 1.349 213 C CA 0.427 59.320 59.018 -0.209 0.000 1.821 213 C CB 0.824 28.356 27.740 -0.346 0.000 2.637 213 C HN 0.899 nan 8.230 nan 0.000 0.605 214 S N 0.898 116.596 115.700 -0.004 0.000 2.575 214 S HA 0.292 4.740 4.470 -0.037 0.000 0.215 214 S C 1.230 175.995 174.600 0.275 0.000 0.966 214 S CA 0.464 58.749 58.200 0.141 0.000 0.911 214 S CB -0.123 63.132 63.200 0.092 0.000 0.780 214 S HN 1.932 nan 8.310 nan 0.000 0.514 215 G N 1.876 110.825 108.800 0.248 0.000 2.256 215 G HA2 -0.249 3.689 3.960 -0.037 0.000 0.272 215 G HA3 -0.249 3.689 3.960 -0.037 0.000 0.272 215 G C 0.421 175.493 174.900 0.286 0.000 1.076 215 G CA 0.442 45.797 45.100 0.426 0.000 0.882 215 G HN 1.004 nan 8.290 nan 0.000 0.497 216 T N -3.205 111.482 114.554 0.222 0.000 3.054 216 T HA 0.389 4.717 4.350 -0.037 0.000 0.255 216 T C 0.810 175.643 174.700 0.221 0.000 1.035 216 T CA -0.023 62.174 62.100 0.161 0.000 0.941 216 T CB 0.214 69.150 68.868 0.114 0.000 1.026 216 T HN 0.650 nan 8.240 nan 0.000 0.533 217 F N 4.842 124.879 119.950 0.145 0.000 2.661 217 F HA 0.370 4.874 4.527 -0.038 0.000 0.356 217 F C 0.642 176.584 175.800 0.236 0.000 1.244 217 F CA -0.806 57.285 58.000 0.151 0.000 1.290 217 F CB -0.706 38.370 39.000 0.127 0.000 1.677 217 F HN 0.207 nan 8.300 nan 0.000 0.649 218 T N -1.091 113.459 114.554 -0.006 0.000 2.948 218 T HA 0.346 4.673 4.350 -0.037 0.000 0.285 218 T C 1.220 175.861 174.700 -0.098 0.000 1.019 218 T CA -0.678 61.417 62.100 -0.009 0.000 1.013 218 T CB 1.435 70.236 68.868 -0.112 0.000 1.117 218 T HN -0.006 nan 8.240 nan 0.000 0.533 219 V N 0.979 120.896 119.914 0.005 0.000 2.407 219 V HA -0.168 3.930 4.120 -0.037 0.000 0.248 219 V C 2.975 179.089 176.094 0.033 0.000 1.055 219 V CA 2.243 64.580 62.300 0.062 0.000 1.049 219 V CB -1.134 30.746 31.823 0.095 0.000 0.662 219 V HN 0.981 nan 8.190 nan 0.000 0.455 220 Q N 1.079 120.872 119.800 -0.011 0.000 2.061 220 Q HA -0.204 4.113 4.340 -0.037 0.000 0.204 220 Q C 1.980 177.977 176.000 -0.006 0.000 0.984 220 Q CA 2.247 58.040 55.803 -0.017 0.000 0.846 220 Q CB -0.381 28.335 28.738 -0.036 0.000 0.902 220 Q HN 0.634 nan 8.270 nan 0.000 0.421 221 N N -0.142 118.547 118.700 -0.019 0.000 2.216 221 N HA -0.060 4.657 4.740 -0.037 0.000 0.183 221 N C 1.665 177.179 175.510 0.006 0.000 1.017 221 N CA 1.198 54.246 53.050 -0.003 0.000 0.861 221 N CB -0.184 38.308 38.487 0.009 0.000 0.986 221 N HN 0.303 nan 8.380 nan 0.000 0.428 222 R N 1.074 121.549 120.500 -0.042 0.000 2.096 222 R HA -0.060 4.258 4.340 -0.037 0.000 0.235 222 R C 2.023 178.426 176.300 0.171 0.000 1.127 222 R CA 0.884 56.975 56.100 -0.015 0.000 0.968 222 R CB -0.162 30.029 30.300 -0.182 0.000 0.861 222 R HN 0.400 nan 8.270 nan 0.000 0.440 223 E N 1.253 121.563 120.200 0.183 0.000 2.085 223 E HA -0.202 4.125 4.350 -0.037 0.000 0.194 223 E C 1.866 178.515 176.600 0.083 0.000 0.994 223 E CA 1.128 57.612 56.400 0.141 0.000 0.801 223 E CB 0.027 29.739 29.700 0.020 0.000 0.743 223 E HN 0.332 nan 8.360 nan 0.000 0.453 224 L N 0.554 121.808 121.223 0.053 0.000 2.156 224 L HA -0.138 4.180 4.340 -0.037 0.000 0.208 224 L C 2.640 179.536 176.870 0.044 0.000 1.095 224 L CA 1.177 56.038 54.840 0.036 0.000 0.770 224 L CB -0.287 41.786 42.059 0.023 0.000 0.914 224 L HN 0.152 nan 8.230 nan 0.000 0.439 225 E N -0.155 120.079 120.200 0.057 0.000 2.072 225 E HA -0.239 4.088 4.350 -0.037 0.000 0.191 225 E C 2.256 178.893 176.600 0.063 0.000 0.985 225 E CA 1.633 58.067 56.400 0.057 0.000 0.801 225 E CB -0.613 29.127 29.700 0.066 0.000 0.750 225 E HN 0.390 nan 8.360 nan 0.000 0.452 226 C N -0.154 119.204 119.300 0.097 0.000 2.413 226 C HA -0.071 4.367 4.460 -0.037 0.000 0.276 226 C C 2.584 177.613 174.990 0.066 0.000 1.248 226 C CA 0.950 60.037 59.018 0.114 0.000 1.742 226 C CB -1.230 26.655 27.740 0.242 0.000 2.017 226 C HN 0.595 nan 8.230 nan 0.000 0.481 227 I N 0.309 120.908 120.570 0.049 0.000 2.179 227 I HA -0.189 3.958 4.170 -0.037 0.000 0.242 227 I C 2.880 179.002 176.117 0.009 0.000 1.088 227 I CA 1.852 63.164 61.300 0.019 0.000 1.357 227 I CB -0.609 37.397 38.000 0.011 0.000 1.051 227 I HN 0.338 nan 8.210 nan 0.000 0.409 228 R N 0.931 121.441 120.500 0.016 0.000 2.083 228 R HA -0.229 4.088 4.340 -0.037 0.000 0.237 228 R C 2.168 178.470 176.300 0.004 0.000 1.137 228 R CA 1.955 58.061 56.100 0.010 0.000 0.951 228 R CB -0.168 30.142 30.300 0.017 0.000 0.851 228 R HN 0.406 nan 8.270 nan 0.000 0.434 229 E N 0.062 120.269 120.200 0.011 0.000 2.110 229 E HA -0.197 4.131 4.350 -0.037 0.000 0.193 229 E C 2.044 178.630 176.600 -0.024 0.000 0.988 229 E CA 1.493 57.895 56.400 0.003 0.000 0.804 229 E CB -0.113 29.598 29.700 0.018 0.000 0.745 229 E HN 0.418 nan 8.360 nan 0.000 0.458 230 I N 1.189 121.743 120.570 -0.028 0.000 2.179 230 I HA -0.300 3.847 4.170 -0.037 0.000 0.242 230 I C 2.352 178.415 176.117 -0.091 0.000 1.088 230 I CA 1.217 62.474 61.300 -0.072 0.000 1.357 230 I CB -0.217 37.750 38.000 -0.054 0.000 1.051 230 I HN 0.017 nan 8.210 nan 0.000 0.409 231 K N 0.291 120.659 120.400 -0.053 0.000 2.063 231 K HA -0.272 4.026 4.320 -0.037 0.000 0.208 231 K C 2.103 178.676 176.600 -0.045 0.000 1.048 231 K CA 1.817 58.077 56.287 -0.045 0.000 0.928 231 K CB -0.168 32.320 32.500 -0.021 0.000 0.713 231 K HN 0.160 nan 8.250 nan 0.000 0.442 232 E N 0.952 121.131 120.200 -0.035 0.000 2.106 232 E HA -0.178 4.150 4.350 -0.037 0.000 0.192 232 E C 1.929 178.510 176.600 -0.031 0.000 0.984 232 E CA 1.274 57.661 56.400 -0.021 0.000 0.806 232 E CB 0.029 29.725 29.700 -0.006 0.000 0.750 232 E HN 0.050 nan 8.360 nan 0.000 0.458 233 R N -0.536 119.919 120.500 -0.074 0.000 2.062 233 R HA 0.031 4.349 4.340 -0.037 0.000 0.229 233 R C 2.046 178.229 176.300 -0.195 0.000 1.128 233 R CA 1.614 57.651 56.100 -0.105 0.000 0.960 233 R CB -0.536 29.672 30.300 -0.153 0.000 0.855 233 R HN 0.163 nan 8.270 nan 0.000 0.432 234 V N -0.042 119.676 119.914 -0.327 0.000 2.599 234 V HA 0.212 4.310 4.120 -0.037 0.000 0.245 234 V C 1.763 177.825 176.094 -0.053 0.000 1.046 234 V CA 1.095 63.148 62.300 -0.411 0.000 1.065 234 V CB -0.772 30.789 31.823 -0.437 0.000 0.703 234 V HN 0.708 nan 8.190 nan 0.000 0.464 235 G N 1.522 110.300 108.800 -0.038 0.000 2.634 235 G HA2 -0.462 3.476 3.960 -0.037 0.000 0.318 235 G HA3 -0.462 3.476 3.960 -0.037 0.000 0.318 235 G C 1.066 175.978 174.900 0.021 0.000 1.207 235 G CA 1.602 46.709 45.100 0.011 0.000 0.987 235 G HN 0.843 nan 8.290 nan 0.000 0.547 236 T N -1.546 113.038 114.554 0.049 0.000 3.069 236 T HA 0.557 4.884 4.350 -0.037 0.000 0.252 236 T C 1.188 175.931 174.700 0.072 0.000 1.053 236 T CA 1.147 63.275 62.100 0.048 0.000 0.964 236 T CB 0.124 69.016 68.868 0.040 0.000 1.005 236 T HN 0.768 nan 8.240 nan 0.000 0.532 237 S N 2.265 118.038 115.700 0.122 0.000 2.584 237 S HA 0.296 4.743 4.470 -0.037 0.000 0.270 237 S C 0.407 175.099 174.600 0.153 0.000 1.346 237 S CA -0.543 57.764 58.200 0.179 0.000 1.018 237 S CB 0.452 63.877 63.200 0.376 0.000 0.899 237 S HN 0.320 nan 8.310 nan 0.000 0.542 238 K N 1.164 121.650 120.400 0.143 0.000 2.126 238 K HA 0.467 4.764 4.320 -0.037 0.000 0.257 238 K C -0.753 175.948 176.600 0.168 0.000 1.007 238 K CA -0.428 55.928 56.287 0.114 0.000 0.928 238 K CB 0.839 33.384 32.500 0.076 0.000 1.013 238 K HN 0.325 nan 8.250 nan 0.000 0.473 239 V N 3.070 123.056 119.914 0.121 0.000 2.443 239 V HA 0.302 4.399 4.120 -0.037 0.000 0.293 239 V C -0.325 175.828 176.094 0.097 0.000 1.021 239 V CA -0.907 61.475 62.300 0.136 0.000 0.848 239 V CB 1.623 33.493 31.823 0.080 0.000 0.998 239 V HN 0.575 nan 8.190 nan 0.000 0.424 240 L N 5.205 126.491 121.223 0.105 0.000 2.312 240 L HA 0.740 5.057 4.340 -0.037 0.000 0.281 240 L C -0.407 176.514 176.870 0.085 0.000 1.070 240 L CA -0.259 54.628 54.840 0.078 0.000 0.805 240 L CB 1.694 43.791 42.059 0.062 0.000 1.174 240 L HN 0.552 nan 8.230 nan 0.000 0.434 241 V N 6.648 126.609 119.914 0.078 0.000 2.540 241 V HA 0.432 4.529 4.120 -0.037 0.000 0.302 241 V C -0.486 175.670 176.094 0.104 0.000 1.035 241 V CA -0.618 61.734 62.300 0.087 0.000 0.873 241 V CB 1.912 33.778 31.823 0.072 0.000 0.992 241 V HN 0.616 nan 8.190 nan 0.000 0.428 242 L N 7.397 128.700 121.223 0.133 0.000 2.328 242 L HA 0.384 4.702 4.340 -0.037 0.000 0.280 242 L C -0.347 176.635 176.870 0.187 0.000 1.111 242 L CA -0.453 54.499 54.840 0.187 0.000 0.909 242 L CB 1.058 43.288 42.059 0.285 0.000 1.277 242 L HN 0.552 nan 8.230 nan 0.000 0.433 243 L N 3.149 124.482 121.223 0.182 0.000 2.278 243 L HA 0.181 4.499 4.340 -0.037 0.000 0.287 243 L C 1.266 178.307 176.870 0.286 0.000 1.072 243 L CA 0.518 55.463 54.840 0.175 0.000 0.819 243 L CB 1.404 43.542 42.059 0.131 0.000 1.176 243 L HN 0.567 nan 8.230 nan 0.000 0.435 244 S N 2.436 118.261 115.700 0.208 0.000 2.501 244 S HA 0.299 4.747 4.470 -0.037 0.000 0.220 244 S C 1.301 176.028 174.600 0.212 0.000 0.997 244 S CA 0.296 58.635 58.200 0.233 0.000 0.919 244 S CB -0.082 63.172 63.200 0.090 0.000 0.778 244 S HN 1.478 nan 8.310 nan 0.000 0.523 245 G N 0.344 109.190 108.800 0.077 0.000 2.213 245 G HA2 -0.089 3.849 3.960 -0.037 0.000 0.226 245 G HA3 -0.089 3.849 3.960 -0.037 0.000 0.226 245 G C 0.523 175.422 174.900 -0.002 0.000 0.992 245 G CA -0.120 44.959 45.100 -0.035 0.000 0.632 245 G HN 1.055 nan 8.290 nan 0.000 0.511 246 G N -0.363 108.466 108.800 0.047 0.000 2.684 246 G HA2 0.508 4.445 3.960 -0.037 0.000 0.255 246 G HA3 0.508 4.445 3.960 -0.037 0.000 0.255 246 G C 1.342 176.257 174.900 0.025 0.000 1.219 246 G CA 0.446 45.575 45.100 0.049 0.000 0.901 246 G HN 0.759 nan 8.290 nan 0.000 0.548 247 V N 0.583 120.513 119.914 0.027 0.000 2.255 247 V HA -0.165 3.932 4.120 -0.037 0.000 0.247 247 V C 2.586 178.686 176.094 0.010 0.000 1.051 247 V CA 2.369 64.677 62.300 0.014 0.000 1.018 247 V CB -0.523 31.314 31.823 0.023 0.000 0.641 247 V HN 0.645 nan 8.190 nan 0.000 0.445 248 D N -0.369 120.043 120.400 0.021 0.000 2.117 248 D HA -0.150 4.467 4.640 -0.037 0.000 0.197 248 D C 2.399 178.708 176.300 0.016 0.000 0.987 248 D CA 1.757 55.768 54.000 0.018 0.000 0.829 248 D CB -0.374 40.445 40.800 0.031 0.000 0.961 248 D HN 0.373 nan 8.370 nan 0.000 0.460 249 S N -0.594 115.121 115.700 0.026 0.000 2.383 249 S HA -0.110 4.338 4.470 -0.037 0.000 0.227 249 S C 1.958 176.571 174.600 0.022 0.000 1.026 249 S CA 1.501 59.721 58.200 0.034 0.000 0.981 249 S CB -0.202 63.029 63.200 0.051 0.000 0.818 249 S HN 0.257 nan 8.310 nan 0.000 0.472 250 T N 1.282 115.840 114.554 0.008 0.000 2.812 250 T HA -0.011 4.316 4.350 -0.037 0.000 0.264 250 T C 1.859 176.548 174.700 -0.018 0.000 1.042 250 T CA 1.288 63.383 62.100 -0.007 0.000 1.140 250 T CB -0.395 68.462 68.868 -0.019 0.000 0.870 250 T HN 0.231 nan 8.240 nan 0.000 0.445 251 V N 0.966 120.864 119.914 -0.026 0.000 2.343 251 V HA -0.202 3.895 4.120 -0.037 0.000 0.247 251 V C 2.834 178.899 176.094 -0.048 0.000 1.051 251 V CA 1.388 63.658 62.300 -0.050 0.000 1.036 251 V CB -0.823 30.957 31.823 -0.072 0.000 0.654 251 V HN 0.674 nan 8.190 nan 0.000 0.451 252 C N 0.312 119.596 119.300 -0.026 0.000 2.413 252 C HA -0.228 4.210 4.460 -0.037 0.000 0.277 252 C C 3.074 178.061 174.990 -0.005 0.000 1.228 252 C CA 2.253 61.264 59.018 -0.011 0.000 1.731 252 C CB -1.220 26.529 27.740 0.016 0.000 2.042 252 C HN 0.662 nan 8.230 nan 0.000 0.468 253 T N 0.851 115.408 114.554 0.004 0.000 2.720 253 T HA -0.142 4.186 4.350 -0.037 0.000 0.268 253 T C 2.039 176.735 174.700 -0.007 0.000 1.037 253 T CA 1.905 64.010 62.100 0.007 0.000 1.144 253 T CB -0.567 68.309 68.868 0.014 0.000 0.864 253 T HN 0.725 nan 8.240 nan 0.000 0.444 254 A N 0.963 123.772 122.820 -0.019 0.000 1.929 254 A HA 0.082 4.379 4.320 -0.037 0.000 0.216 254 A C 2.228 179.793 177.584 -0.032 0.000 1.176 254 A CA 1.005 53.027 52.037 -0.026 0.000 0.628 254 A CB -0.676 18.304 19.000 -0.034 0.000 0.816 254 A HN 0.400 nan 8.150 nan 0.000 0.444 255 L N -0.223 120.976 121.223 -0.041 0.000 2.046 255 L HA -0.074 4.243 4.340 -0.037 0.000 0.208 255 L C 2.230 179.084 176.870 -0.026 0.000 1.077 255 L CA 1.634 56.447 54.840 -0.045 0.000 0.747 255 L CB -0.486 41.535 42.059 -0.063 0.000 0.896 255 L HN 0.385 nan 8.230 nan 0.000 0.432 256 L N -0.374 120.838 121.223 -0.018 0.000 2.046 256 L HA -0.227 4.091 4.340 -0.037 0.000 0.208 256 L C 2.506 179.368 176.870 -0.013 0.000 1.077 256 L CA 1.662 56.493 54.840 -0.014 0.000 0.747 256 L CB -0.814 41.243 42.059 -0.004 0.000 0.896 256 L HN 0.482 nan 8.230 nan 0.000 0.432 257 N N 0.341 119.035 118.700 -0.010 0.000 2.166 257 N HA -0.240 4.478 4.740 -0.037 0.000 0.186 257 N C 2.076 177.579 175.510 -0.012 0.000 1.019 257 N CA 1.127 54.172 53.050 -0.008 0.000 0.856 257 N CB 0.147 38.630 38.487 -0.006 0.000 0.993 257 N HN 0.127 nan 8.380 nan 0.000 0.426 258 R N 1.097 121.587 120.500 -0.016 0.000 2.092 258 R HA 0.066 4.384 4.340 -0.037 0.000 0.231 258 R C 1.920 178.211 176.300 -0.015 0.000 1.119 258 R CA 1.614 57.704 56.100 -0.017 0.000 0.970 258 R CB -0.762 29.524 30.300 -0.023 0.000 0.864 258 R HN 0.209 nan 8.270 nan 0.000 0.440 259 A N -0.085 122.726 122.820 -0.016 0.000 1.968 259 A HA 0.195 4.493 4.320 -0.037 0.000 0.217 259 A C 0.750 178.323 177.584 -0.017 0.000 1.169 259 A CA 0.754 52.781 52.037 -0.016 0.000 0.638 259 A CB -0.077 18.911 19.000 -0.021 0.000 0.812 259 A HN 0.258 nan 8.150 nan 0.000 0.446 260 L N -1.472 119.741 121.223 -0.016 0.000 2.235 260 L HA 0.362 4.680 4.340 -0.037 0.000 0.260 260 L C -0.397 176.469 176.870 -0.006 0.000 1.025 260 L CA -1.390 53.442 54.840 -0.013 0.000 0.836 260 L CB 0.616 42.664 42.059 -0.017 0.000 1.395 260 L HN 0.025 nan 8.230 nan 0.000 0.443 261 N N 0.468 119.167 118.700 -0.001 0.000 2.381 261 N HA -0.032 4.685 4.740 -0.037 0.000 0.241 261 N C 0.454 175.967 175.510 0.004 0.000 1.279 261 N CA 0.080 53.131 53.050 0.002 0.000 0.896 261 N CB 0.676 39.166 38.487 0.005 0.000 1.118 261 N HN 0.591 nan 8.380 nan 0.000 0.438 262 Q N 0.633 120.436 119.800 0.004 0.000 2.124 262 Q HA -0.118 4.199 4.340 -0.037 0.000 0.202 262 Q C 0.815 176.820 176.000 0.009 0.000 0.977 262 Q CA 1.347 57.153 55.803 0.005 0.000 0.850 262 Q CB 0.142 28.882 28.738 0.003 0.000 0.901 262 Q HN 0.562 nan 8.270 nan 0.000 0.429 263 E N -0.382 119.824 120.200 0.010 0.000 2.427 263 E HA -0.134 4.193 4.350 -0.037 0.000 0.196 263 E C 1.581 178.193 176.600 0.019 0.000 1.028 263 E CA 0.332 56.740 56.400 0.014 0.000 0.864 263 E CB 0.224 29.931 29.700 0.013 0.000 0.813 263 E HN 0.429 nan 8.360 nan 0.000 0.514 264 Q N -0.098 119.714 119.800 0.019 0.000 2.398 264 Q HA 0.031 4.349 4.340 -0.037 0.000 0.204 264 Q C -0.129 175.890 176.000 0.032 0.000 0.932 264 Q CA 0.293 56.112 55.803 0.027 0.000 0.916 264 Q CB 0.950 29.701 28.738 0.021 0.000 1.024 264 Q HN -0.008 nan 8.270 nan 0.000 0.504 265 V N 1.837 121.766 119.914 0.025 0.000 2.357 265 V HA 0.301 4.398 4.120 -0.037 0.000 0.284 265 V C -0.589 175.524 176.094 0.030 0.000 1.018 265 V CA -0.532 61.784 62.300 0.028 0.000 0.841 265 V CB 1.277 33.111 31.823 0.018 0.000 0.991 265 V HN 0.088 nan 8.190 nan 0.000 0.437 266 I N 4.481 125.075 120.570 0.039 0.000 2.328 266 I HA 0.640 4.787 4.170 -0.037 0.000 0.287 266 I C 0.573 176.716 176.117 0.045 0.000 1.012 266 I CA -0.162 61.160 61.300 0.037 0.000 1.195 266 I CB 1.617 39.638 38.000 0.035 0.000 1.350 266 I HN 0.624 nan 8.210 nan 0.000 0.464 267 A N 6.491 129.337 122.820 0.043 0.000 2.289 267 A HA 0.762 5.059 4.320 -0.037 0.000 0.298 267 A C -0.401 177.224 177.584 0.068 0.000 1.208 267 A CA -0.427 51.644 52.037 0.056 0.000 0.845 267 A CB 0.563 19.591 19.000 0.047 0.000 1.125 267 A HN 0.476 nan 8.150 nan 0.000 0.517 268 V N 3.860 123.827 119.914 0.088 0.000 2.443 268 V HA 0.245 4.343 4.120 -0.037 0.000 0.293 268 V C -0.665 175.520 176.094 0.152 0.000 1.021 268 V CA -0.440 61.917 62.300 0.093 0.000 0.848 268 V CB 1.266 33.121 31.823 0.053 0.000 0.998 268 V HN 0.979 nan 8.190 nan 0.000 0.424 269 H N 5.276 124.380 119.070 0.057 0.000 2.556 269 H HA 0.597 5.130 4.556 -0.038 0.000 0.310 269 H C -0.614 174.762 175.328 0.080 0.000 1.057 269 H CA -0.489 55.602 56.048 0.072 0.000 1.264 269 H CB 0.956 30.745 29.762 0.044 0.000 1.404 269 H HN 0.598 nan 8.280 nan 0.000 0.462 270 I N 4.811 125.198 120.570 -0.304 0.000 2.297 270 I HA 0.075 4.222 4.170 -0.037 0.000 0.291 270 I C -0.099 175.723 176.117 -0.491 0.000 1.033 270 I CA -0.441 60.725 61.300 -0.223 0.000 1.253 270 I CB 0.662 38.695 38.000 0.056 0.000 1.396 270 I HN 0.658 nan 8.210 nan 0.000 0.476 271 D N 5.561 125.712 120.400 -0.415 0.000 2.316 271 D HA 0.038 4.655 4.640 -0.037 0.000 0.245 271 D C 0.911 177.022 176.300 -0.315 0.000 1.171 271 D CA -0.356 53.458 54.000 -0.310 0.000 0.856 271 D CB 0.731 41.486 40.800 -0.074 0.000 1.090 271 D HN 0.491 nan 8.370 nan 0.000 0.476 272 N N 3.399 121.790 118.700 -0.515 0.000 2.398 272 N HA 0.089 4.806 4.740 -0.037 0.000 0.188 272 N C 1.424 176.443 175.510 -0.819 0.000 1.122 272 N CA 0.381 52.784 53.050 -1.078 0.000 0.866 272 N CB 0.172 37.827 38.487 -1.387 0.000 0.970 272 N HN 0.593 nan 8.380 nan 0.000 0.462 273 G N -0.628 107.839 108.800 -0.556 0.000 2.184 273 G HA2 -0.304 3.634 3.960 -0.037 0.000 0.264 273 G HA3 -0.304 3.634 3.960 -0.037 0.000 0.264 273 G C 0.142 174.710 174.900 -0.554 0.000 0.975 273 G CA 0.463 45.200 45.100 -0.605 0.000 0.642 273 G HN 0.430 nan 8.290 nan 0.000 0.536 274 F N -0.692 119.261 119.950 0.004 0.000 2.698 274 F HA 0.602 5.107 4.527 -0.037 0.000 0.304 274 F C 1.096 177.009 175.800 0.189 0.000 1.108 274 F CA -0.632 57.427 58.000 0.098 0.000 1.263 274 F CB 0.487 39.513 39.000 0.044 0.000 1.013 274 F HN 0.199 nan 8.300 nan 0.000 0.532 275 M N 1.143 120.887 119.600 0.241 0.000 2.247 275 M HA 0.352 4.810 4.480 -0.037 0.000 0.326 275 M C 0.473 176.814 176.300 0.068 0.000 1.134 275 M CA -0.406 55.015 55.300 0.202 0.000 1.136 275 M CB 0.649 33.312 32.600 0.106 0.000 1.454 275 M HN 0.054 nan 8.290 nan 0.000 0.467 276 R N 1.275 121.677 120.500 -0.165 0.000 2.738 276 R HA 0.205 4.523 4.340 -0.037 0.000 0.275 276 R C -0.337 175.908 176.300 -0.092 0.000 1.121 276 R CA -0.466 55.541 56.100 -0.155 0.000 1.207 276 R CB 0.255 30.337 30.300 -0.365 0.000 1.141 276 R HN 0.559 nan 8.270 nan 0.000 0.571 277 K N 1.283 121.652 120.400 -0.052 0.000 2.412 277 K HA -0.053 4.244 4.320 -0.037 0.000 0.284 277 K C 0.619 177.167 176.600 -0.088 0.000 1.046 277 K CA 1.215 57.435 56.287 -0.112 0.000 0.999 277 K CB 0.411 32.747 32.500 -0.274 0.000 0.941 277 K HN 0.708 nan 8.250 nan 0.000 0.474 278 R N 2.519 122.959 120.500 -0.101 0.000 3.977 278 R HA -0.230 4.087 4.340 -0.037 0.000 0.428 278 R C 0.833 177.099 176.300 -0.058 0.000 1.079 278 R CA 2.118 58.175 56.100 -0.071 0.000 1.269 278 R CB -2.807 27.460 30.300 -0.056 0.000 1.856 278 R HN 0.905 nan 8.270 nan 0.000 0.551 279 E N 0.246 120.397 120.200 -0.081 0.000 2.442 279 E HA -0.027 4.301 4.350 -0.037 0.000 0.195 279 E C 2.228 178.749 176.600 -0.132 0.000 1.030 279 E CA 0.899 57.233 56.400 -0.110 0.000 0.869 279 E CB 0.174 29.774 29.700 -0.167 0.000 0.857 279 E HN 0.892 nan 8.360 nan 0.000 0.505 280 S N 0.753 116.378 115.700 -0.125 0.000 2.345 280 S HA -0.220 4.227 4.470 -0.037 0.000 0.219 280 S C 2.397 176.911 174.600 -0.144 0.000 1.031 280 S CA 1.449 59.546 58.200 -0.172 0.000 0.984 280 S CB -0.453 62.687 63.200 -0.100 0.000 0.874 280 S HN 0.269 nan 8.310 nan 0.000 0.451 281 Q N 1.560 121.307 119.800 -0.089 0.000 2.096 281 Q HA -0.095 4.222 4.340 -0.037 0.000 0.204 281 Q C 2.464 178.426 176.000 -0.064 0.000 0.982 281 Q CA 2.528 58.292 55.803 -0.065 0.000 0.850 281 Q CB -1.728 26.982 28.738 -0.047 0.000 0.901 281 Q HN 1.056 nan 8.270 nan 0.000 0.422 282 S N -1.114 114.547 115.700 -0.064 0.000 2.489 282 S HA 0.001 4.449 4.470 -0.037 0.000 0.228 282 S C 2.011 176.573 174.600 -0.064 0.000 0.995 282 S CA 1.037 59.205 58.200 -0.053 0.000 0.934 282 S CB 0.011 63.186 63.200 -0.042 0.000 0.771 282 S HN 0.434 nan 8.310 nan 0.000 0.522 283 V N 2.050 121.910 119.914 -0.090 0.000 2.407 283 V HA -0.073 4.025 4.120 -0.037 0.000 0.245 283 V C 2.597 178.642 176.094 -0.081 0.000 1.041 283 V CA 1.850 64.094 62.300 -0.093 0.000 1.040 283 V CB -0.669 31.077 31.823 -0.128 0.000 0.671 283 V HN 0.511 nan 8.190 nan 0.000 0.455 284 E N 0.150 120.294 120.200 -0.092 0.000 2.058 284 E HA -0.287 4.041 4.350 -0.037 0.000 0.194 284 E C 2.172 178.747 176.600 -0.042 0.000 0.997 284 E CA 1.789 58.152 56.400 -0.062 0.000 0.801 284 E CB -0.188 29.478 29.700 -0.058 0.000 0.746 284 E HN 0.656 nan 8.360 nan 0.000 0.450 285 E N 0.447 120.622 120.200 -0.041 0.000 2.085 285 E HA -0.204 4.124 4.350 -0.037 0.000 0.194 285 E C 2.053 178.637 176.600 -0.028 0.000 0.994 285 E CA 1.006 57.388 56.400 -0.030 0.000 0.801 285 E CB -0.127 29.556 29.700 -0.028 0.000 0.743 285 E HN 0.280 nan 8.360 nan 0.000 0.453 286 A N 0.820 123.620 122.820 -0.033 0.000 1.898 286 A HA -0.123 4.175 4.320 -0.037 0.000 0.216 286 A C 2.153 179.721 177.584 -0.027 0.000 1.181 286 A CA 0.941 52.960 52.037 -0.030 0.000 0.620 286 A CB -0.518 18.461 19.000 -0.035 0.000 0.819 286 A HN 0.133 nan 8.150 nan 0.000 0.442 287 L N -0.761 120.445 121.223 -0.029 0.000 2.093 287 L HA -0.144 4.174 4.340 -0.037 0.000 0.208 287 L C 2.651 179.511 176.870 -0.017 0.000 1.085 287 L CA 1.279 56.106 54.840 -0.022 0.000 0.755 287 L CB -0.347 41.699 42.059 -0.022 0.000 0.904 287 L HN 0.344 nan 8.230 nan 0.000 0.435 288 K N 0.915 121.305 120.400 -0.017 0.000 2.026 288 K HA -0.241 4.056 4.320 -0.037 0.000 0.208 288 K C 2.442 179.035 176.600 -0.012 0.000 1.048 288 K CA 2.034 58.313 56.287 -0.013 0.000 0.929 288 K CB -0.114 32.378 32.500 -0.014 0.000 0.713 288 K HN 0.222 nan 8.250 nan 0.000 0.439 289 K N 1.187 121.578 120.400 -0.015 0.000 2.160 289 K HA -0.122 4.175 4.320 -0.037 0.000 0.206 289 K C 1.899 178.491 176.600 -0.013 0.000 1.047 289 K CA 1.784 58.062 56.287 -0.014 0.000 0.930 289 K CB -0.891 31.599 32.500 -0.016 0.000 0.720 289 K HN 0.274 nan 8.250 nan 0.000 0.450 290 L N -0.263 120.952 121.223 -0.015 0.000 2.653 290 L HA 0.269 4.587 4.340 -0.037 0.000 0.232 290 L C 1.457 178.320 176.870 -0.011 0.000 1.169 290 L CA 0.270 55.102 54.840 -0.014 0.000 0.951 290 L CB -0.442 41.607 42.059 -0.017 0.000 1.181 290 L HN 0.579 nan 8.230 nan 0.000 0.460 291 G N 1.316 110.110 108.800 -0.009 0.000 2.160 291 G HA2 -0.293 3.644 3.960 -0.037 0.000 0.251 291 G HA3 -0.293 3.644 3.960 -0.037 0.000 0.251 291 G C 0.048 174.946 174.900 -0.004 0.000 1.008 291 G CA 0.044 45.140 45.100 -0.006 0.000 0.724 291 G HN 0.397 nan 8.290 nan 0.000 0.514 292 I N 0.176 120.743 120.570 -0.005 0.000 2.362 292 I HA 0.440 4.588 4.170 -0.037 0.000 0.289 292 I C 0.189 176.306 176.117 -0.000 0.000 0.994 292 I CA -0.892 60.407 61.300 -0.002 0.000 1.158 292 I CB 1.764 39.761 38.000 -0.003 0.000 1.315 292 I HN 0.108 nan 8.210 nan 0.000 0.451 293 Q N 5.089 124.891 119.800 0.004 0.000 2.230 293 Q HA 0.564 4.881 4.340 -0.037 0.000 0.253 293 Q C -1.343 174.666 176.000 0.014 0.000 0.919 293 Q CA -0.422 55.385 55.803 0.007 0.000 0.908 293 Q CB 1.902 30.644 28.738 0.007 0.000 1.245 293 Q HN 0.511 nan 8.270 nan 0.000 0.437 294 V N 4.360 124.283 119.914 0.016 0.000 2.409 294 V HA 0.360 4.458 4.120 -0.037 0.000 0.291 294 V C -0.446 175.671 176.094 0.040 0.000 1.020 294 V CA -0.866 61.452 62.300 0.031 0.000 0.848 294 V CB 1.593 33.430 31.823 0.024 0.000 0.990 294 V HN 0.724 nan 8.190 nan 0.000 0.430 295 K N 3.824 124.253 120.400 0.048 0.000 2.316 295 K HA 0.478 4.775 4.320 -0.037 0.000 0.289 295 K C -0.865 175.779 176.600 0.073 0.000 1.070 295 K CA -0.271 56.044 56.287 0.047 0.000 0.928 295 K CB 1.100 33.620 32.500 0.033 0.000 1.039 295 K HN 0.508 nan 8.250 nan 0.000 0.480 296 V N 6.510 126.467 119.914 0.071 0.000 2.407 296 V HA 0.238 4.336 4.120 -0.037 0.000 0.278 296 V C 0.043 176.167 176.094 0.050 0.000 1.037 296 V CA -0.768 61.591 62.300 0.098 0.000 0.900 296 V CB 1.239 33.125 31.823 0.106 0.000 0.983 296 V HN 0.631 nan 8.190 nan 0.000 0.459 297 I N 5.105 125.692 120.570 0.028 0.000 2.307 297 I HA 0.331 4.479 4.170 -0.037 0.000 0.289 297 I C 0.143 176.261 176.117 0.002 0.000 1.021 297 I CA -0.570 60.734 61.300 0.006 0.000 1.224 297 I CB 1.114 39.110 38.000 -0.007 0.000 1.376 297 I HN 0.533 nan 8.210 nan 0.000 0.470 298 N N 6.179 124.885 118.700 0.010 0.000 2.549 298 N HA 0.210 4.927 4.740 -0.037 0.000 0.267 298 N C 0.783 176.301 175.510 0.014 0.000 1.182 298 N CA -0.004 53.049 53.050 0.005 0.000 1.019 298 N CB 1.299 39.791 38.487 0.008 0.000 1.380 298 N HN 0.689 nan 8.380 nan 0.000 0.505 299 A N 0.726 123.567 122.820 0.035 0.000 2.465 299 A HA 0.378 4.676 4.320 -0.037 0.000 0.255 299 A C 1.896 179.564 177.584 0.139 0.000 1.274 299 A CA 0.143 52.249 52.037 0.115 0.000 0.920 299 A CB 0.063 19.204 19.000 0.235 0.000 1.033 299 A HN 0.512 nan 8.150 nan 0.000 0.516 300 A N 0.160 122.939 122.820 -0.068 0.000 1.896 300 A HA -0.316 3.981 4.320 -0.037 0.000 0.220 300 A C 1.925 179.225 177.584 -0.473 0.000 1.206 300 A CA 2.359 54.137 52.037 -0.432 0.000 0.647 300 A CB -1.055 17.692 19.000 -0.422 0.000 0.828 300 A HN 0.800 nan 8.150 nan 0.000 0.455 301 H N -0.048 118.921 119.070 -0.168 0.000 2.353 301 H HA -0.100 4.434 4.556 -0.037 0.000 0.298 301 H C 2.176 177.501 175.328 -0.006 0.000 1.103 301 H CA 2.071 58.119 56.048 0.001 0.000 1.293 301 H CB -0.042 29.743 29.762 0.038 0.000 1.372 301 H HN 0.450 nan 8.280 nan 0.000 0.501 302 S N -0.688 115.048 115.700 0.060 0.000 2.453 302 S HA -0.056 4.392 4.470 -0.037 0.000 0.231 302 S C 1.568 176.051 174.600 -0.195 0.000 1.005 302 S CA 0.858 59.020 58.200 -0.064 0.000 0.949 302 S CB -0.160 62.964 63.200 -0.126 0.000 0.774 302 S HN 0.333 nan 8.310 nan 0.000 0.510 303 F N 0.227 120.098 119.950 -0.131 0.000 2.179 303 F HA 0.094 4.598 4.527 -0.038 0.000 0.292 303 F C 2.061 177.902 175.800 0.068 0.000 1.089 303 F CA 0.579 58.555 58.000 -0.040 0.000 1.295 303 F CB -0.669 38.296 39.000 -0.058 0.000 1.041 303 F HN 0.101 nan 8.300 nan 0.000 0.487 304 Y N 0.299 120.705 120.300 0.177 0.000 2.114 304 Y HA -0.226 4.302 4.550 -0.038 0.000 0.282 304 Y C 1.902 177.805 175.900 0.005 0.000 1.165 304 Y CA 1.014 59.166 58.100 0.087 0.000 1.148 304 Y CB -1.330 37.104 38.460 -0.044 0.000 0.972 304 Y HN 0.105 nan 8.280 nan 0.000 0.504 305 N N 0.261 118.983 118.700 0.036 0.000 2.314 305 N HA 0.083 4.801 4.740 -0.037 0.000 0.200 305 N C 0.750 176.249 175.510 -0.019 0.000 1.135 305 N CA 0.393 53.415 53.050 -0.047 0.000 0.835 305 N CB 0.141 38.509 38.487 -0.199 0.000 0.989 305 N HN 0.191 nan 8.380 nan 0.000 0.478 306 G N 0.330 109.137 108.800 0.013 0.000 2.432 306 G HA2 0.211 4.149 3.960 -0.037 0.000 0.239 306 G HA3 0.211 4.149 3.960 -0.037 0.000 0.239 306 G C -0.150 174.752 174.900 0.004 0.000 1.291 306 G CA 0.382 45.468 45.100 -0.023 0.000 0.863 306 G HN 0.067 nan 8.290 nan 0.000 0.560 307 T N -0.738 113.804 114.554 -0.019 0.000 2.932 307 T HA 0.631 4.959 4.350 -0.037 0.000 0.318 307 T C -0.667 174.027 174.700 -0.010 0.000 1.265 307 T CA -0.282 61.816 62.100 -0.004 0.000 1.036 307 T CB 2.063 70.928 68.868 -0.004 0.000 1.209 307 T HN 0.799 nan 8.240 nan 0.000 0.484 308 T N 1.573 116.129 114.554 0.003 0.000 2.787 308 T HA 0.620 4.947 4.350 -0.037 0.000 0.297 308 T C -0.766 173.942 174.700 0.014 0.000 1.221 308 T CA -0.323 61.781 62.100 0.007 0.000 1.006 308 T CB 1.705 70.583 68.868 0.017 0.000 1.328 308 T HN 0.719 nan 8.240 nan 0.000 0.509 309 T N 2.805 117.371 114.554 0.019 0.000 2.884 309 T HA 0.500 4.828 4.350 -0.037 0.000 0.298 309 T C -0.214 174.502 174.700 0.026 0.000 0.998 309 T CA -0.150 61.962 62.100 0.021 0.000 1.124 309 T CB -0.054 68.829 68.868 0.025 0.000 0.931 309 T HN 0.312 nan 8.240 nan 0.000 0.531 310 L N 5.388 126.623 121.223 0.019 0.000 2.325 310 L HA 0.455 4.773 4.340 -0.037 0.000 0.278 310 L C -1.359 175.520 176.870 0.016 0.000 1.023 310 L CA -2.168 52.682 54.840 0.018 0.000 0.811 310 L CB 1.025 43.090 42.059 0.011 0.000 1.249 310 L HN 0.489 nan 8.230 nan 0.000 0.431 323 I N 2.422 122.995 120.570 0.006 0.000 2.378 323 I HA 0.424 4.572 4.170 -0.037 0.000 0.291 323 I C 0.902 177.022 176.117 0.006 0.000 0.992 323 I CA -0.474 60.830 61.300 0.006 0.000 1.154 323 I CB 2.086 40.088 38.000 0.003 0.000 1.315 323 I HN 0.865 nan 8.210 nan 0.000 0.448 324 S N 5.930 121.635 115.700 0.009 0.000 2.584 324 S HA 0.295 4.743 4.470 -0.037 0.000 0.270 324 S C 0.069 174.675 174.600 0.010 0.000 1.346 324 S CA -0.560 57.646 58.200 0.011 0.000 1.018 324 S CB 0.713 63.922 63.200 0.016 0.000 0.899 324 S HN 0.506 nan 8.310 nan 0.000 0.542 325 K N 0.986 121.394 120.400 0.014 0.000 2.149 325 K HA 0.264 4.562 4.320 -0.037 0.000 0.245 325 K C 0.642 177.253 176.600 0.018 0.000 1.024 325 K CA -0.132 56.162 56.287 0.011 0.000 0.899 325 K CB 0.046 32.556 32.500 0.017 0.000 1.038 325 K HN 0.852 nan 8.250 nan 0.000 0.496 326 T N -0.850 113.711 114.554 0.010 0.000 2.900 326 T HA 0.007 4.334 4.350 -0.037 0.000 0.307 326 T C 1.143 175.879 174.700 0.060 0.000 1.065 326 T CA -0.680 61.434 62.100 0.024 0.000 1.105 326 T CB 0.537 69.408 68.868 0.004 0.000 0.979 326 T HN 0.464 nan 8.240 nan 0.000 0.544 327 L N 1.966 123.251 121.223 0.102 0.000 2.079 327 L HA -0.094 4.223 4.340 -0.037 0.000 0.210 327 L C 2.138 179.121 176.870 0.187 0.000 1.081 327 L CA 2.056 56.992 54.840 0.159 0.000 0.752 327 L CB -1.157 41.050 42.059 0.248 0.000 0.896 327 L HN 0.931 nan 8.230 nan 0.000 0.433 328 N N -1.325 117.475 118.700 0.167 0.000 2.571 328 N HA -0.145 4.573 4.740 -0.037 0.000 0.189 328 N C 1.008 176.566 175.510 0.080 0.000 1.154 328 N CA 1.030 54.164 53.050 0.140 0.000 0.907 328 N CB -0.409 38.115 38.487 0.061 0.000 0.977 328 N HN 0.462 nan 8.380 nan 0.000 0.449 329 M N -0.979 118.656 119.600 0.058 0.000 2.414 329 M HA 0.193 4.651 4.480 -0.037 0.000 0.357 329 M C -0.534 175.889 176.300 0.204 0.000 1.059 329 M CA -0.131 55.137 55.300 -0.054 0.000 0.959 329 M CB 1.039 33.512 32.600 -0.212 0.000 1.522 329 M HN -0.158 nan 8.290 nan 0.000 0.551 330 T N 0.267 114.960 114.554 0.232 0.000 2.889 330 T HA 0.238 4.565 4.350 -0.037 0.000 0.291 330 T C 1.299 176.107 174.700 0.178 0.000 0.995 330 T CA -0.043 62.159 62.100 0.170 0.000 1.092 330 T CB 1.427 70.351 68.868 0.093 0.000 0.954 330 T HN 0.395 nan 8.240 nan 0.000 0.506 331 T N -1.586 113.021 114.554 0.088 0.000 3.000 331 T HA 0.167 4.495 4.350 -0.037 0.000 0.248 331 T C 1.207 175.862 174.700 -0.074 0.000 1.034 331 T CA -0.187 61.903 62.100 -0.017 0.000 1.060 331 T CB 0.161 69.003 68.868 -0.043 0.000 0.983 331 T HN 0.449 nan 8.240 nan 0.000 0.482 332 S N 3.106 118.761 115.700 -0.075 0.000 2.465 332 S HA 0.271 4.719 4.470 -0.037 0.000 0.280 332 S C -1.628 172.898 174.600 -0.125 0.000 1.232 332 S CA -1.310 56.803 58.200 -0.145 0.000 1.066 332 S CB 0.931 64.057 63.200 -0.122 0.000 0.929 332 S HN 0.055 nan 8.310 nan 0.000 0.494 333 P HA -0.104 nan 4.420 nan 0.000 0.216 333 P C 1.165 178.436 177.300 -0.048 0.000 1.150 333 P CA 1.139 64.193 63.100 -0.078 0.000 0.837 333 P CB 0.136 31.833 31.700 -0.005 0.000 0.786 334 E N -0.085 120.073 120.200 -0.071 0.000 2.058 334 E HA -0.216 4.111 4.350 -0.037 0.000 0.194 334 E C 1.975 178.562 176.600 -0.022 0.000 0.997 334 E CA 1.178 57.561 56.400 -0.029 0.000 0.801 334 E CB -0.380 29.298 29.700 -0.037 0.000 0.746 334 E HN 0.446 nan 8.360 nan 0.000 0.450 335 E N 0.907 121.086 120.200 -0.035 0.000 2.077 335 E HA -0.176 4.151 4.350 -0.037 0.000 0.193 335 E C 2.031 178.632 176.600 0.001 0.000 0.989 335 E CA 0.916 57.310 56.400 -0.011 0.000 0.800 335 E CB -0.009 29.684 29.700 -0.012 0.000 0.746 335 E HN 0.160 nan 8.360 nan 0.000 0.452 336 K N 0.628 121.019 120.400 -0.015 0.000 2.063 336 K HA -0.166 4.132 4.320 -0.037 0.000 0.208 336 K C 2.238 178.829 176.600 -0.015 0.000 1.048 336 K CA 1.189 57.463 56.287 -0.021 0.000 0.928 336 K CB -0.149 32.311 32.500 -0.067 0.000 0.713 336 K HN 0.032 nan 8.250 nan 0.000 0.442 337 R N 0.915 121.405 120.500 -0.016 0.000 2.073 337 R HA -0.069 4.248 4.340 -0.037 0.000 0.229 337 R C 2.379 178.699 176.300 0.032 0.000 1.120 337 R CA 1.144 57.240 56.100 -0.007 0.000 0.967 337 R CB -0.083 30.210 30.300 -0.012 0.000 0.862 337 R HN 0.120 nan 8.270 nan 0.000 0.436 338 K N 0.946 121.369 120.400 0.038 0.000 2.026 338 K HA -0.120 4.177 4.320 -0.037 0.000 0.208 338 K C 2.038 178.679 176.600 0.069 0.000 1.048 338 K CA 1.310 57.633 56.287 0.061 0.000 0.929 338 K CB -0.066 32.464 32.500 0.049 0.000 0.713 338 K HN 0.059 nan 8.250 nan 0.000 0.439 339 I N 1.040 121.646 120.570 0.058 0.000 2.118 339 I HA -0.343 3.805 4.170 -0.037 0.000 0.241 339 I C 2.260 178.437 176.117 0.099 0.000 1.070 339 I CA 1.459 62.797 61.300 0.063 0.000 1.327 339 I CB -0.269 37.773 38.000 0.069 0.000 1.034 339 I HN 0.193 nan 8.210 nan 0.000 0.405 340 I N 0.474 121.137 120.570 0.155 0.000 2.226 340 I HA -0.215 3.933 4.170 -0.037 0.000 0.245 340 I C 2.681 178.960 176.117 0.269 0.000 1.100 340 I CA 1.611 63.089 61.300 0.298 0.000 1.374 340 I CB -0.971 37.158 38.000 0.214 0.000 1.057 340 I HN 0.293 nan 8.210 nan 0.000 0.413 341 G N 0.613 109.505 108.800 0.154 0.000 2.459 341 G HA2 -0.258 3.680 3.960 -0.037 0.000 0.217 341 G HA3 -0.258 3.680 3.960 -0.037 0.000 0.217 341 G C 1.244 176.203 174.900 0.099 0.000 1.183 341 G CA 1.082 46.270 45.100 0.147 0.000 0.776 341 G HN 0.277 nan 8.290 nan 0.000 0.552 342 D N 0.013 120.441 120.400 0.047 0.000 2.144 342 D HA -0.046 4.572 4.640 -0.037 0.000 0.199 342 D C 2.735 178.964 176.300 -0.118 0.000 0.984 342 D CA 1.361 55.320 54.000 -0.068 0.000 0.834 342 D CB -0.465 40.341 40.800 0.009 0.000 0.955 342 D HN 0.250 nan 8.370 nan 0.000 0.465 343 T N 0.246 114.746 114.554 -0.091 0.000 2.812 343 T HA -0.097 4.231 4.350 -0.037 0.000 0.264 343 T C 1.691 176.245 174.700 -0.244 0.000 1.042 343 T CA 0.468 62.406 62.100 -0.270 0.000 1.140 343 T CB -0.410 68.142 68.868 -0.526 0.000 0.870 343 T HN 0.146 nan 8.240 nan 0.000 0.445 344 F N 2.098 121.996 119.950 -0.085 0.000 2.095 344 F HA -0.142 4.362 4.527 -0.037 0.000 0.298 344 F C 2.147 177.921 175.800 -0.044 0.000 1.104 344 F CA 0.994 59.054 58.000 0.099 0.000 1.232 344 F CB -0.590 38.539 39.000 0.215 0.000 0.987 344 F HN -0.095 nan 8.300 nan 0.000 0.475 345 V N 0.849 120.684 119.914 -0.133 0.000 2.358 345 V HA -0.270 3.828 4.120 -0.037 0.000 0.246 345 V C 2.374 178.284 176.094 -0.308 0.000 1.047 345 V CA 2.125 64.251 62.300 -0.291 0.000 1.035 345 V CB -0.695 30.901 31.823 -0.379 0.000 0.658 345 V HN 0.293 nan 8.190 nan 0.000 0.452 346 K N -0.088 120.153 120.400 -0.265 0.000 2.032 346 K HA -0.138 4.160 4.320 -0.037 0.000 0.209 346 K C 2.040 178.509 176.600 -0.218 0.000 1.048 346 K CA 1.708 57.868 56.287 -0.212 0.000 0.927 346 K CB -0.325 32.066 32.500 -0.182 0.000 0.712 346 K HN 0.393 nan 8.250 nan 0.000 0.441 347 I N 0.918 121.331 120.570 -0.263 0.000 2.252 347 I HA -0.264 3.884 4.170 -0.037 0.000 0.245 347 I C 2.550 178.507 176.117 -0.268 0.000 1.102 347 I CA 1.037 62.193 61.300 -0.239 0.000 1.385 347 I CB -0.411 37.459 38.000 -0.217 0.000 1.064 347 I HN 0.147 nan 8.210 nan 0.000 0.414 348 A N 1.070 123.633 122.820 -0.427 0.000 1.865 348 A HA -0.309 3.989 4.320 -0.037 0.000 0.217 348 A C 2.073 179.521 177.584 -0.226 0.000 1.191 348 A CA 2.535 54.331 52.037 -0.403 0.000 0.623 348 A CB -1.134 17.488 19.000 -0.630 0.000 0.826 348 A HN 0.521 nan 8.150 nan 0.000 0.444 349 N N -0.498 118.080 118.700 -0.204 0.000 2.104 349 N HA -0.248 4.470 4.740 -0.037 0.000 0.190 349 N C 1.744 177.192 175.510 -0.104 0.000 1.024 349 N CA 1.946 54.918 53.050 -0.130 0.000 0.853 349 N CB -0.203 38.214 38.487 -0.118 0.000 1.008 349 N HN 0.510 nan 8.380 nan 0.000 0.424 350 E N -0.106 120.026 120.200 -0.114 0.000 2.051 350 E HA -0.104 4.224 4.350 -0.037 0.000 0.192 350 E C 1.817 178.371 176.600 -0.076 0.000 0.991 350 E CA 1.276 57.623 56.400 -0.089 0.000 0.799 350 E CB -0.384 29.261 29.700 -0.093 0.000 0.748 350 E HN 0.255 nan 8.360 nan 0.000 0.449 351 V N 1.036 120.897 119.914 -0.089 0.000 2.407 351 V HA -0.240 3.857 4.120 -0.037 0.000 0.248 351 V C 2.416 178.479 176.094 -0.052 0.000 1.055 351 V CA 1.804 64.063 62.300 -0.068 0.000 1.049 351 V CB -0.532 31.246 31.823 -0.075 0.000 0.662 351 V HN 0.322 nan 8.190 nan 0.000 0.455 352 I N 0.948 121.482 120.570 -0.059 0.000 2.179 352 I HA -0.164 3.983 4.170 -0.037 0.000 0.242 352 I C 2.701 178.797 176.117 -0.035 0.000 1.088 352 I CA 1.728 63.003 61.300 -0.041 0.000 1.357 352 I CB -1.198 36.776 38.000 -0.042 0.000 1.051 352 I HN 0.407 nan 8.210 nan 0.000 0.409 353 G N 0.643 109.418 108.800 -0.042 0.000 2.476 353 G HA2 -0.286 3.651 3.960 -0.037 0.000 0.218 353 G HA3 -0.286 3.651 3.960 -0.037 0.000 0.218 353 G C 1.506 176.389 174.900 -0.029 0.000 1.164 353 G CA 0.864 45.943 45.100 -0.036 0.000 0.768 353 G HN 0.421 nan 8.290 nan 0.000 0.560 354 E N -0.512 119.669 120.200 -0.031 0.000 2.401 354 E HA 0.071 4.399 4.350 -0.037 0.000 0.199 354 E C 2.227 178.816 176.600 -0.018 0.000 1.023 354 E CA 0.314 56.699 56.400 -0.025 0.000 0.859 354 E CB -0.082 29.601 29.700 -0.028 0.000 0.780 354 E HN 0.440 nan 8.360 nan 0.000 0.523 355 M N -0.643 118.947 119.600 -0.016 0.000 2.495 355 M HA 0.058 4.516 4.480 -0.037 0.000 0.237 355 M C 0.836 177.132 176.300 -0.006 0.000 1.131 355 M CA 0.573 55.868 55.300 -0.009 0.000 1.032 355 M CB -0.144 32.453 32.600 -0.005 0.000 1.513 355 M HN 0.240 nan 8.290 nan 0.000 0.488 356 N N 1.541 120.236 118.700 -0.009 0.000 2.721 356 N HA -0.168 4.550 4.740 -0.037 0.000 0.249 356 N C -0.301 175.207 175.510 -0.004 0.000 1.072 356 N CA 0.822 53.868 53.050 -0.008 0.000 0.710 356 N CB -2.719 35.764 38.487 -0.006 0.000 0.993 356 N HN 0.435 nan 8.380 nan 0.000 0.547 357 L N -0.716 120.504 121.223 -0.004 0.000 2.357 357 L HA 0.413 4.731 4.340 -0.037 0.000 0.273 357 L C 1.141 178.008 176.870 -0.005 0.000 1.080 357 L CA -0.974 53.866 54.840 -0.000 0.000 0.803 357 L CB 1.565 43.626 42.059 0.003 0.000 1.174 357 L HN 0.271 nan 8.230 nan 0.000 0.443 358 K N 3.524 123.923 120.400 -0.002 0.000 2.351 358 K HA 0.119 4.416 4.320 -0.037 0.000 0.287 358 K C -1.885 174.705 176.600 -0.018 0.000 1.068 358 K CA -1.022 55.261 56.287 -0.008 0.000 0.998 358 K CB 0.407 32.906 32.500 -0.002 0.000 0.968 358 K HN 0.433 nan 8.250 nan 0.000 0.464 359 P HA 0.000 nan 4.420 nan 0.000 0.237 359 P C 0.244 177.504 177.300 -0.067 0.000 1.178 359 P CA 0.826 63.901 63.100 -0.042 0.000 0.766 359 P CB 0.196 31.874 31.700 -0.037 0.000 0.876 360 E N -0.156 120.008 120.200 -0.059 0.000 2.465 360 E HA 0.030 4.357 4.350 -0.037 0.000 0.191 360 E C 0.309 176.858 176.600 -0.085 0.000 1.053 360 E CA 0.169 56.522 56.400 -0.080 0.000 0.869 360 E CB 0.078 29.748 29.700 -0.051 0.000 0.977 360 E HN 0.408 nan 8.360 nan 0.000 0.483 361 E N 0.514 120.679 120.200 -0.059 0.000 3.157 361 E HA 0.155 4.482 4.350 -0.037 0.000 0.203 361 E C -1.044 175.561 176.600 0.007 0.000 0.982 361 E CA -0.123 56.269 56.400 -0.014 0.000 1.217 361 E CB 1.471 31.187 29.700 0.026 0.000 1.123 361 E HN -0.109 nan 8.360 nan 0.000 0.457 362 V N 1.151 121.015 119.914 -0.083 0.000 2.588 362 V HA 0.455 4.552 4.120 -0.037 0.000 0.304 362 V C -0.686 175.323 176.094 -0.141 0.000 1.042 362 V CA -0.757 61.530 62.300 -0.022 0.000 0.877 362 V CB 1.238 33.047 31.823 -0.022 0.000 0.996 362 V HN 0.129 nan 8.190 nan 0.000 0.425 363 F N 3.798 123.759 119.950 0.018 0.000 2.507 363 F HA 0.727 5.231 4.527 -0.038 0.000 0.327 363 F C -0.240 175.576 175.800 0.026 0.000 1.068 363 F CA -0.832 57.182 58.000 0.023 0.000 0.965 363 F CB 1.904 40.920 39.000 0.026 0.000 1.192 363 F HN 0.312 nan 8.300 nan 0.000 0.476 364 L N 2.639 123.992 121.223 0.217 0.000 2.325 364 L HA 0.830 5.148 4.340 -0.037 0.000 0.281 364 L C -0.815 176.151 176.870 0.160 0.000 1.004 364 L CA -0.555 54.375 54.840 0.150 0.000 0.823 364 L CB 0.819 42.936 42.059 0.097 0.000 1.236 364 L HN 0.627 nan 8.230 nan 0.000 0.415 365 A N 5.103 128.002 122.820 0.131 0.000 2.330 365 A HA 0.817 5.114 4.320 -0.037 0.000 0.327 365 A C -0.798 176.843 177.584 0.096 0.000 1.155 365 A CA -0.551 51.550 52.037 0.106 0.000 0.803 365 A CB 1.041 20.089 19.000 0.080 0.000 1.208 365 A HN 0.741 nan 8.150 nan 0.000 0.477 366 Q N 0.527 120.380 119.800 0.088 0.000 2.399 366 Q HA 0.501 4.818 4.340 -0.037 0.000 0.276 366 Q C 0.576 176.616 176.000 0.067 0.000 1.098 366 Q CA -0.463 55.389 55.803 0.082 0.000 0.827 366 Q CB 2.178 30.968 28.738 0.085 0.000 1.386 366 Q HN 0.864 nan 8.270 nan 0.000 0.443 367 G N 0.749 109.584 108.800 0.058 0.000 3.262 367 G HA2 0.021 3.958 3.960 -0.037 0.000 0.228 367 G HA3 0.021 3.958 3.960 -0.037 0.000 0.228 367 G C 0.162 175.092 174.900 0.049 0.000 1.197 367 G CA -0.083 45.046 45.100 0.048 0.000 0.819 367 G HN 0.417 nan 8.290 nan 0.000 0.531 368 T N 1.282 115.867 114.554 0.052 0.000 2.916 368 T HA 0.158 4.486 4.350 -0.037 0.000 0.303 368 T C 1.580 176.313 174.700 0.056 0.000 1.025 368 T CA -0.135 61.994 62.100 0.048 0.000 1.142 368 T CB 1.651 70.547 68.868 0.048 0.000 0.947 368 T HN 0.030 nan 8.240 nan 0.000 0.544 369 L N 1.882 123.137 121.223 0.054 0.000 2.307 369 L HA 0.184 4.501 4.340 -0.037 0.000 0.211 369 L C 1.410 178.304 176.870 0.041 0.000 1.099 369 L CA 0.830 55.705 54.840 0.057 0.000 0.816 369 L CB -0.095 42.002 42.059 0.064 0.000 0.952 369 L HN 0.449 nan 8.230 nan 0.000 0.455 370 R N 1.214 121.738 120.500 0.040 0.000 2.724 370 R HA 0.287 4.605 4.340 -0.037 0.000 0.284 370 R C -2.404 173.917 176.300 0.035 0.000 1.481 370 R CA -1.467 54.654 56.100 0.034 0.000 1.652 370 R CB 0.521 30.843 30.300 0.036 0.000 1.175 370 R HN 0.017 nan 8.270 nan 0.000 0.613 371 P HA 0.082 nan 4.420 nan 0.000 0.274 371 P C -0.936 176.387 177.300 0.038 0.000 1.237 371 P CA -0.242 62.883 63.100 0.042 0.000 0.793 371 P CB 0.913 32.643 31.700 0.049 0.000 0.977 372 D N -0.300 120.123 120.400 0.038 0.000 2.419 372 D HA 0.280 4.898 4.640 -0.037 0.000 0.234 372 D C 0.920 177.243 176.300 0.038 0.000 1.014 372 D CA -0.855 53.166 54.000 0.034 0.000 0.919 372 D CB 0.881 41.699 40.800 0.029 0.000 1.366 372 D HN 0.077 nan 8.370 nan 0.000 0.490 373 L N -0.669 120.574 121.223 0.033 0.000 2.068 373 L HA 0.234 4.551 4.340 -0.037 0.000 0.204 373 L C 0.442 177.332 176.870 0.033 0.000 1.076 373 L CA 0.749 55.609 54.840 0.034 0.000 0.753 373 L CB -0.084 41.992 42.059 0.029 0.000 0.910 373 L HN 0.401 nan 8.230 nan 0.000 0.439 374 I N -0.616 119.970 120.570 0.026 0.000 2.447 374 I HA 0.198 4.346 4.170 -0.037 0.000 0.287 374 I C -0.424 175.705 176.117 0.020 0.000 1.023 374 I CA -0.533 60.780 61.300 0.023 0.000 1.083 374 I CB 2.192 40.200 38.000 0.015 0.000 1.245 374 I HN -0.107 nan 8.210 nan 0.000 0.434 375 E N 4.151 124.363 120.200 0.021 0.000 2.283 375 E HA 0.502 4.829 4.350 -0.037 0.000 0.267 375 E C -0.535 176.069 176.600 0.006 0.000 1.045 375 E CA -0.424 55.986 56.400 0.017 0.000 0.884 375 E CB 1.345 31.061 29.700 0.026 0.000 1.106 375 E HN 0.541 nan 8.360 nan 0.000 0.408 376 S N 1.517 117.220 115.700 0.005 0.000 2.525 376 S HA 0.625 5.073 4.470 -0.037 0.000 0.290 376 S C 0.657 175.256 174.600 -0.001 0.000 1.152 376 S CA -0.202 57.998 58.200 -0.001 0.000 1.072 376 S CB 1.719 64.919 63.200 0.000 0.000 1.027 376 S HN 0.595 nan 8.310 nan 0.000 0.500 377 A N 2.899 125.715 122.820 -0.006 0.000 2.014 377 A HA 0.062 4.360 4.320 -0.037 0.000 0.218 377 A C 2.180 179.769 177.584 0.008 0.000 1.163 377 A CA 1.427 53.463 52.037 -0.002 0.000 0.652 377 A CB -1.310 17.686 19.000 -0.007 0.000 0.808 377 A HN 0.875 nan 8.150 nan 0.000 0.449 378 S N -0.160 115.543 115.700 0.005 0.000 2.365 378 S HA -0.188 4.260 4.470 -0.037 0.000 0.225 378 S C 1.812 176.416 174.600 0.008 0.000 1.039 378 S CA 1.631 59.835 58.200 0.007 0.000 1.033 378 S CB -0.412 62.790 63.200 0.004 0.000 0.887 378 S HN 0.443 nan 8.310 nan 0.000 0.447 379 L N 1.805 123.032 121.223 0.006 0.000 2.056 379 L HA 0.015 4.333 4.340 -0.037 0.000 0.207 379 L C 2.248 179.121 176.870 0.004 0.000 1.078 379 L CA 1.280 56.122 54.840 0.003 0.000 0.749 379 L CB -0.758 41.303 42.059 0.003 0.000 0.901 379 L HN 0.132 nan 8.230 nan 0.000 0.433 380 V N -0.011 119.911 119.914 0.013 0.000 2.324 380 V HA -0.342 3.756 4.120 -0.037 0.000 0.250 380 V C 2.740 178.845 176.094 0.018 0.000 1.060 380 V CA 1.720 64.034 62.300 0.023 0.000 1.042 380 V CB -1.502 30.352 31.823 0.052 0.000 0.650 380 V HN 0.571 nan 8.190 nan 0.000 0.450 381 A N 0.232 123.064 122.820 0.020 0.000 2.019 381 A HA -0.163 4.134 4.320 -0.037 0.000 0.219 381 A C 2.373 179.967 177.584 0.017 0.000 1.164 381 A CA 2.277 54.325 52.037 0.020 0.000 0.644 381 A CB -0.382 18.630 19.000 0.020 0.000 0.805 381 A HN 0.729 nan 8.150 nan 0.000 0.449 382 S N -3.472 112.234 115.700 0.010 0.000 2.549 382 S HA 0.537 4.984 4.470 -0.037 0.000 0.225 382 S C 0.862 175.452 174.600 -0.016 0.000 1.039 382 S CA 0.740 58.946 58.200 0.010 0.000 0.942 382 S CB 0.347 63.553 63.200 0.010 0.000 0.881 382 S HN 1.207 nan 8.310 nan 0.000 0.503 383 G N 1.007 109.791 108.800 -0.028 0.000 2.529 383 G HA2 0.385 4.323 3.960 -0.037 0.000 0.238 383 G HA3 0.385 4.323 3.960 -0.037 0.000 0.238 383 G C -1.720 173.145 174.900 -0.059 0.000 1.207 383 G CA -0.875 44.193 45.100 -0.053 0.000 0.928 383 G HN 0.311 nan 8.290 nan 0.000 0.495 384 K N 0.354 120.709 120.400 -0.075 0.000 2.436 384 K HA 0.533 4.830 4.320 -0.037 0.000 0.275 384 K C -0.201 176.374 176.600 -0.041 0.000 0.999 384 K CA 0.694 56.936 56.287 -0.074 0.000 0.980 384 K CB 0.540 32.985 32.500 -0.091 0.000 0.919 384 K HN 1.230 nan 8.250 nan 0.000 0.484 385 A N 3.378 126.178 122.820 -0.032 0.000 2.583 385 A HA 0.190 4.487 4.320 -0.037 0.000 0.292 385 A C -1.552 176.033 177.584 0.002 0.000 1.045 385 A CA -0.788 51.245 52.037 -0.007 0.000 0.672 385 A CB 0.972 19.975 19.000 0.005 0.000 1.283 385 A HN 0.770 nan 8.150 nan 0.000 0.419 386 E N 1.544 121.759 120.200 0.024 0.000 1.996 386 E HA 0.307 4.635 4.350 -0.037 0.000 0.280 386 E C 0.647 177.295 176.600 0.081 0.000 1.092 386 E CA -0.308 56.119 56.400 0.044 0.000 0.862 386 E CB 0.382 30.113 29.700 0.051 0.000 1.066 386 E HN 0.587 nan 8.360 nan 0.000 0.396 387 L N 3.843 125.125 121.223 0.098 0.000 2.042 387 L HA -0.230 4.088 4.340 -0.037 0.000 0.210 387 L C 2.285 179.313 176.870 0.262 0.000 1.076 387 L CA 1.331 56.289 54.840 0.198 0.000 0.749 387 L CB -0.477 41.703 42.059 0.201 0.000 0.893 387 L HN 0.674 nan 8.230 nan 0.000 0.432 388 I N -3.573 117.124 120.570 0.210 0.000 3.176 388 I HA -0.110 4.037 4.170 -0.037 0.000 0.275 388 I C 1.799 178.001 176.117 0.140 0.000 1.298 388 I CA 1.063 62.476 61.300 0.189 0.000 1.445 388 I CB -0.193 37.903 38.000 0.160 0.000 1.075 388 I HN 0.016 nan 8.210 nan 0.000 0.482 389 K N 1.041 121.510 120.400 0.115 0.000 2.374 389 K HA 0.239 4.537 4.320 -0.037 0.000 0.196 389 K C 0.773 177.406 176.600 0.054 0.000 1.023 389 K CA 0.229 56.563 56.287 0.077 0.000 1.103 389 K CB 0.056 32.593 32.500 0.063 0.000 0.848 389 K HN 0.387 nan 8.250 nan 0.000 0.528 390 T N -0.076 114.503 114.554 0.043 0.000 2.943 390 T HA 0.115 4.443 4.350 -0.037 0.000 0.284 390 T C -0.626 173.980 174.700 -0.157 0.000 1.015 390 T CA -0.577 61.489 62.100 -0.057 0.000 1.042 390 T CB 0.960 69.767 68.868 -0.102 0.000 1.055 390 T HN 0.187 nan 8.240 nan 0.000 0.500 391 H N 3.378 122.299 119.070 -0.248 0.000 2.646 391 H HA 0.276 4.809 4.556 -0.038 0.000 0.325 391 H C -0.542 174.572 175.328 -0.358 0.000 1.075 391 H CA 0.095 56.026 56.048 -0.196 0.000 1.421 391 H CB 0.251 29.952 29.762 -0.102 0.000 1.461 391 H HN 0.638 nan 8.280 nan 0.000 0.525 392 H N 3.105 121.862 119.070 -0.521 0.000 2.908 392 H HA 0.231 4.764 4.556 -0.038 0.000 0.350 392 H C -0.297 174.785 175.328 -0.410 0.000 1.217 392 H CA -0.953 54.903 56.048 -0.319 0.000 1.168 392 H CB 1.489 31.163 29.762 -0.145 0.000 1.891 392 H HN 0.613 nan 8.280 nan 0.000 0.566 393 N N 0.992 119.681 118.700 -0.018 0.000 2.443 393 N HA 0.114 4.831 4.740 -0.037 0.000 0.295 393 N C -0.722 174.767 175.510 -0.035 0.000 1.076 393 N CA -0.225 52.805 53.050 -0.034 0.000 0.919 393 N CB 0.699 39.194 38.487 0.012 0.000 1.176 393 N HN 0.535 nan 8.380 nan 0.000 0.487 394 D N -0.504 119.871 120.400 -0.043 0.000 2.746 394 D HA -0.135 4.482 4.640 -0.037 0.000 0.236 394 D C -0.443 175.817 176.300 -0.066 0.000 1.129 394 D CA 1.194 55.163 54.000 -0.051 0.000 0.691 394 D CB -1.502 39.265 40.800 -0.054 0.000 1.077 394 D HN 0.640 nan 8.370 nan 0.000 0.432 395 T N -3.533 110.984 114.554 -0.062 0.000 3.697 395 T HA 0.409 4.737 4.350 -0.037 0.000 0.260 395 T C 1.001 175.675 174.700 -0.044 0.000 0.998 395 T CA -0.508 61.556 62.100 -0.060 0.000 1.128 395 T CB 1.175 70.017 68.868 -0.044 0.000 1.082 395 T HN -0.100 nan 8.240 nan 0.000 0.541 396 E N 1.575 121.752 120.200 -0.040 0.000 2.051 396 E HA -0.044 4.284 4.350 -0.037 0.000 0.192 396 E C 1.878 178.463 176.600 -0.024 0.000 0.991 396 E CA 1.105 57.489 56.400 -0.027 0.000 0.799 396 E CB -0.377 29.309 29.700 -0.022 0.000 0.748 396 E HN 0.482 nan 8.360 nan 0.000 0.449 397 L N 0.370 121.574 121.223 -0.032 0.000 2.013 397 L HA -0.210 4.108 4.340 -0.037 0.000 0.212 397 L C 2.548 179.402 176.870 -0.026 0.000 1.073 397 L CA 1.665 56.486 54.840 -0.032 0.000 0.753 397 L CB -1.080 40.956 42.059 -0.039 0.000 0.890 397 L HN 0.283 nan 8.230 nan 0.000 0.432 398 I N -0.753 119.803 120.570 -0.023 0.000 2.226 398 I HA -0.298 3.850 4.170 -0.037 0.000 0.245 398 I C 2.894 179.016 176.117 0.009 0.000 1.100 398 I CA 0.991 62.288 61.300 -0.004 0.000 1.374 398 I CB -0.387 37.614 38.000 0.002 0.000 1.057 398 I HN 0.287 nan 8.210 nan 0.000 0.413 399 R N 1.509 122.012 120.500 0.005 0.000 2.083 399 R HA -0.219 4.099 4.340 -0.037 0.000 0.237 399 R C 2.276 178.580 176.300 0.008 0.000 1.137 399 R CA 1.781 57.890 56.100 0.014 0.000 0.951 399 R CB -0.081 30.226 30.300 0.011 0.000 0.851 399 R HN 0.291 nan 8.270 nan 0.000 0.434 400 K N 0.229 120.625 120.400 -0.006 0.000 2.026 400 K HA -0.111 4.186 4.320 -0.037 0.000 0.208 400 K C 2.178 178.760 176.600 -0.029 0.000 1.048 400 K CA 1.469 57.746 56.287 -0.017 0.000 0.929 400 K CB -0.162 32.323 32.500 -0.025 0.000 0.713 400 K HN 0.176 nan 8.250 nan 0.000 0.439 401 L N 0.447 121.651 121.223 -0.032 0.000 2.042 401 L HA -0.213 4.104 4.340 -0.037 0.000 0.210 401 L C 2.716 179.573 176.870 -0.022 0.000 1.076 401 L CA 1.305 56.117 54.840 -0.047 0.000 0.749 401 L CB -0.400 41.639 42.059 -0.033 0.000 0.893 401 L HN 0.201 nan 8.230 nan 0.000 0.432 402 R N 0.129 120.632 120.500 0.006 0.000 2.066 402 R HA -0.143 4.175 4.340 -0.037 0.000 0.232 402 R C 2.130 178.441 176.300 0.018 0.000 1.131 402 R CA 1.373 57.488 56.100 0.025 0.000 0.955 402 R CB 0.017 30.341 30.300 0.040 0.000 0.851 402 R HN 0.327 nan 8.270 nan 0.000 0.432 403 E N 0.270 120.477 120.200 0.011 0.000 2.358 403 E HA -0.135 4.193 4.350 -0.037 0.000 0.195 403 E C 1.228 177.827 176.600 -0.003 0.000 1.010 403 E CA 0.758 57.164 56.400 0.010 0.000 0.856 403 E CB 0.148 29.855 29.700 0.012 0.000 0.795 403 E HN 0.527 nan 8.360 nan 0.000 0.504 404 E N 0.007 120.194 120.200 -0.021 0.000 2.489 404 E HA 0.076 4.403 4.350 -0.037 0.000 0.193 404 E C 0.633 177.209 176.600 -0.039 0.000 1.057 404 E CA 0.247 56.623 56.400 -0.041 0.000 0.866 404 E CB 0.258 29.911 29.700 -0.078 0.000 0.916 404 E HN 0.301 nan 8.360 nan 0.000 0.500 405 G N 2.230 111.024 108.800 -0.010 0.000 2.176 405 G HA2 -0.261 3.677 3.960 -0.037 0.000 0.252 405 G HA3 -0.261 3.677 3.960 -0.037 0.000 0.252 405 G C 0.687 175.610 174.900 0.038 0.000 1.024 405 G CA 0.185 45.302 45.100 0.029 0.000 0.755 405 G HN 0.076 nan 8.290 nan 0.000 0.507 406 K N -0.355 120.019 120.400 -0.043 0.000 2.387 406 K HA 0.294 4.591 4.320 -0.037 0.000 0.198 406 K C 0.813 177.490 176.600 0.129 0.000 1.022 406 K CA 0.043 56.243 56.287 -0.144 0.000 1.128 406 K CB 1.083 33.325 32.500 -0.430 0.000 0.853 406 K HN 0.359 nan 8.250 nan 0.000 0.523 407 V N 3.855 123.851 119.914 0.136 0.000 2.364 407 V HA 0.325 4.422 4.120 -0.037 0.000 0.272 407 V C 0.258 176.457 176.094 0.174 0.000 1.036 407 V CA -0.828 61.562 62.300 0.150 0.000 0.880 407 V CB 0.665 32.548 31.823 0.100 0.000 0.991 407 V HN 0.119 nan 8.190 nan 0.000 0.460 408 I N 1.751 122.429 120.570 0.180 0.000 2.530 408 I HA 0.780 4.927 4.170 -0.037 0.000 0.297 408 I C -0.483 175.689 176.117 0.091 0.000 1.011 408 I CA -0.765 60.610 61.300 0.126 0.000 1.107 408 I CB 2.187 40.239 38.000 0.086 0.000 1.285 408 I HN 0.383 nan 8.210 nan 0.000 0.436 409 E N 5.739 125.986 120.200 0.078 0.000 2.683 409 E HA 0.335 4.662 4.350 -0.037 0.000 0.224 409 E C -2.109 174.538 176.600 0.079 0.000 1.046 409 E CA -1.487 54.957 56.400 0.074 0.000 0.811 409 E CB 1.374 31.116 29.700 0.071 0.000 1.296 409 E HN 0.498 nan 8.360 nan 0.000 0.421 410 P HA -0.148 nan 4.420 nan 0.000 0.219 410 P C 0.572 177.981 177.300 0.182 0.000 1.146 410 P CA 0.988 64.147 63.100 0.099 0.000 0.808 410 P CB 0.296 32.034 31.700 0.064 0.000 0.779 411 L N -0.326 120.996 121.223 0.165 0.000 2.591 411 L HA 0.077 4.395 4.340 -0.037 0.000 0.228 411 L C 2.171 179.189 176.870 0.247 0.000 1.133 411 L CA 0.303 55.299 54.840 0.259 0.000 0.880 411 L CB -0.753 41.380 42.059 0.123 0.000 1.033 411 L HN 0.111 nan 8.230 nan 0.000 0.450 412 K N -0.630 119.855 120.400 0.141 0.000 2.209 412 K HA -0.149 4.149 4.320 -0.037 0.000 0.204 412 K C 0.663 177.258 176.600 -0.008 0.000 1.048 412 K CA 1.306 57.630 56.287 0.062 0.000 0.940 412 K CB -0.085 32.442 32.500 0.044 0.000 0.729 412 K HN 0.228 nan 8.250 nan 0.000 0.451 413 D N -0.007 120.361 120.400 -0.053 0.000 2.319 413 D HA 0.103 4.720 4.640 -0.037 0.000 0.230 413 D C -0.757 175.228 176.300 -0.525 0.000 1.094 413 D CA 0.322 54.160 54.000 -0.269 0.000 0.856 413 D CB 0.055 40.667 40.800 -0.314 0.000 0.915 413 D HN 0.101 nan 8.370 nan 0.000 0.517 414 F N 0.456 120.360 119.950 -0.078 0.000 2.520 414 F HA 0.248 4.752 4.527 -0.038 0.000 0.322 414 F C 1.079 176.805 175.800 -0.123 0.000 1.103 414 F CA -0.975 56.989 58.000 -0.060 0.000 0.926 414 F CB 1.294 40.292 39.000 -0.003 0.000 1.154 414 F HN -0.138 nan 8.300 nan 0.000 0.453 415 H N 1.168 120.373 119.070 0.226 0.000 2.603 415 H HA 0.106 4.639 4.556 -0.038 0.000 0.370 415 H C 0.954 176.377 175.328 0.159 0.000 1.225 415 H CA -0.251 55.893 56.048 0.161 0.000 1.410 415 H CB 1.136 30.973 29.762 0.125 0.000 1.495 415 H HN 0.476 nan 8.280 nan 0.000 0.602 416 K N 1.089 121.642 120.400 0.254 0.000 2.097 416 K HA -0.145 4.152 4.320 -0.037 0.000 0.206 416 K C 1.369 178.057 176.600 0.147 0.000 1.049 416 K CA 1.889 58.279 56.287 0.172 0.000 0.933 416 K CB -0.365 32.231 32.500 0.160 0.000 0.717 416 K HN 0.681 nan 8.250 nan 0.000 0.442 417 D N -0.115 120.379 120.400 0.156 0.000 2.178 417 D HA -0.180 4.437 4.640 -0.037 0.000 0.202 417 D C 1.286 177.656 176.300 0.117 0.000 0.974 417 D CA 1.121 55.191 54.000 0.118 0.000 0.841 417 D CB -0.323 40.538 40.800 0.102 0.000 0.953 417 D HN 0.441 nan 8.370 nan 0.000 0.478 418 E N 0.473 120.777 120.200 0.173 0.000 2.106 418 E HA -0.083 4.244 4.350 -0.037 0.000 0.192 418 E C 2.438 179.071 176.600 0.055 0.000 0.984 418 E CA 0.639 57.147 56.400 0.180 0.000 0.806 418 E CB 0.079 29.997 29.700 0.363 0.000 0.750 418 E HN 0.101 nan 8.360 nan 0.000 0.458 419 V N 1.510 121.448 119.914 0.041 0.000 2.324 419 V HA -0.322 3.776 4.120 -0.037 0.000 0.250 419 V C 2.221 178.279 176.094 -0.059 0.000 1.060 419 V CA 1.963 64.223 62.300 -0.066 0.000 1.042 419 V CB -0.543 31.277 31.823 -0.005 0.000 0.650 419 V HN 0.230 nan 8.190 nan 0.000 0.450 420 R N -0.302 120.195 120.500 -0.004 0.000 2.073 420 R HA -0.114 4.204 4.340 -0.037 0.000 0.234 420 R C 2.258 178.547 176.300 -0.019 0.000 1.134 420 R CA 1.815 57.911 56.100 -0.005 0.000 0.952 420 R CB -0.493 29.819 30.300 0.020 0.000 0.850 420 R HN 0.430 nan 8.270 nan 0.000 0.433 421 I N 0.624 121.190 120.570 -0.007 0.000 2.286 421 I HA -0.267 3.880 4.170 -0.037 0.000 0.248 421 I C 2.278 178.364 176.117 -0.051 0.000 1.115 421 I CA 0.715 62.009 61.300 -0.010 0.000 1.392 421 I CB -0.237 37.779 38.000 0.027 0.000 1.065 421 I HN 0.115 nan 8.210 nan 0.000 0.418 422 L N 1.161 122.320 121.223 -0.107 0.000 2.012 422 L HA -0.130 4.188 4.340 -0.037 0.000 0.210 422 L C 2.383 179.176 176.870 -0.129 0.000 1.073 422 L CA 2.284 57.014 54.840 -0.183 0.000 0.748 422 L CB -1.478 40.356 42.059 -0.375 0.000 0.891 422 L HN 0.232 nan 8.230 nan 0.000 0.431 423 G N -1.067 107.672 108.800 -0.102 0.000 2.418 423 G HA2 -0.237 3.701 3.960 -0.037 0.000 0.217 423 G HA3 -0.237 3.701 3.960 -0.037 0.000 0.217 423 G C 1.749 176.617 174.900 -0.053 0.000 1.158 423 G CA 0.507 45.564 45.100 -0.071 0.000 0.771 423 G HN 0.312 nan 8.290 nan 0.000 0.545 424 R N 0.333 120.807 120.500 -0.044 0.000 2.083 424 R HA -0.075 4.242 4.340 -0.037 0.000 0.237 424 R C 2.485 178.763 176.300 -0.036 0.000 1.137 424 R CA 1.509 57.588 56.100 -0.034 0.000 0.951 424 R CB -0.452 29.833 30.300 -0.024 0.000 0.851 424 R HN 0.468 nan 8.270 nan 0.000 0.434 425 E N 0.565 120.739 120.200 -0.044 0.000 2.110 425 E HA -0.147 4.181 4.350 -0.037 0.000 0.193 425 E C 1.867 178.441 176.600 -0.044 0.000 0.988 425 E CA 0.919 57.293 56.400 -0.043 0.000 0.804 425 E CB -0.059 29.612 29.700 -0.049 0.000 0.745 425 E HN 0.227 nan 8.360 nan 0.000 0.458 426 L N -0.746 120.445 121.223 -0.053 0.000 2.622 426 L HA 0.049 4.367 4.340 -0.037 0.000 0.233 426 L C 1.303 178.151 176.870 -0.037 0.000 1.156 426 L CA 0.542 55.354 54.840 -0.047 0.000 0.866 426 L CB 0.051 42.075 42.059 -0.058 0.000 0.980 426 L HN 0.329 nan 8.230 nan 0.000 0.448 427 G N -0.190 108.590 108.800 -0.034 0.000 2.134 427 G HA2 -0.229 3.708 3.960 -0.037 0.000 0.209 427 G HA3 -0.229 3.708 3.960 -0.037 0.000 0.209 427 G C 0.050 174.933 174.900 -0.028 0.000 0.993 427 G CA -0.469 44.614 45.100 -0.028 0.000 0.669 427 G HN 0.168 nan 8.290 nan 0.000 0.519 428 L N 0.979 122.183 121.223 -0.032 0.000 2.375 428 L HA 0.466 4.783 4.340 -0.037 0.000 0.271 428 L C -1.595 175.258 176.870 -0.029 0.000 1.107 428 L CA -2.171 52.651 54.840 -0.031 0.000 0.806 428 L CB 0.921 42.959 42.059 -0.035 0.000 1.146 428 L HN -0.085 nan 8.230 nan 0.000 0.447 429 P HA 0.026 nan 4.420 nan 0.000 0.271 429 P C 0.147 177.431 177.300 -0.028 0.000 1.218 429 P CA -0.258 62.827 63.100 -0.026 0.000 0.780 429 P CB 0.791 32.475 31.700 -0.026 0.000 0.901 430 E N 2.227 122.412 120.200 -0.026 0.000 2.118 430 E HA -0.260 4.068 4.350 -0.037 0.000 0.195 430 E C 1.200 177.781 176.600 -0.032 0.000 0.992 430 E CA 1.837 58.221 56.400 -0.026 0.000 0.804 430 E CB -0.410 29.276 29.700 -0.022 0.000 0.741 430 E HN 0.425 nan 8.360 nan 0.000 0.458 431 E N 0.329 120.509 120.200 -0.034 0.000 2.085 431 E HA -0.179 4.149 4.350 -0.037 0.000 0.194 431 E C 2.152 178.723 176.600 -0.048 0.000 0.994 431 E CA 1.359 57.734 56.400 -0.042 0.000 0.801 431 E CB -0.421 29.257 29.700 -0.036 0.000 0.743 431 E HN 0.346 nan 8.360 nan 0.000 0.453 432 L N 0.635 121.833 121.223 -0.042 0.000 2.072 432 L HA -0.101 4.217 4.340 -0.037 0.000 0.205 432 L C 2.193 179.040 176.870 -0.038 0.000 1.079 432 L CA 1.059 55.873 54.840 -0.043 0.000 0.752 432 L CB -0.069 41.966 42.059 -0.040 0.000 0.906 432 L HN 0.235 nan 8.230 nan 0.000 0.436 433 V N -4.725 115.169 119.914 -0.032 0.000 3.217 433 V HA -0.000 4.097 4.120 -0.037 0.000 0.264 433 V C 1.675 177.759 176.094 -0.017 0.000 1.135 433 V CA 1.461 63.748 62.300 -0.023 0.000 1.142 433 V CB -0.062 31.748 31.823 -0.022 0.000 0.754 433 V HN 0.384 nan 8.190 nan 0.000 0.484 434 S N -0.453 115.227 115.700 -0.033 0.000 2.556 434 S HA 0.330 4.777 4.470 -0.037 0.000 0.216 434 S C 0.813 175.359 174.600 -0.089 0.000 0.970 434 S CA -0.444 57.731 58.200 -0.041 0.000 0.912 434 S CB -0.180 62.991 63.200 -0.050 0.000 0.790 434 S HN 0.598 nan 8.310 nan 0.000 0.504 435 R N 1.630 122.081 120.500 -0.083 0.000 2.698 435 R HA 0.136 4.453 4.340 -0.037 0.000 0.266 435 R C -0.171 176.106 176.300 -0.039 0.000 1.026 435 R CA 0.198 56.230 56.100 -0.115 0.000 1.102 435 R CB 0.204 30.468 30.300 -0.062 0.000 0.978 435 R HN 0.513 nan 8.270 nan 0.000 0.436 436 H N 1.985 121.116 119.070 0.100 0.000 2.757 436 H HA 0.082 4.616 4.556 -0.036 0.000 0.370 436 H C -1.767 173.648 175.328 0.146 0.000 1.172 436 H CA -1.374 54.765 56.048 0.152 0.000 1.426 436 H CB 0.145 30.027 29.762 0.200 0.000 1.438 436 H HN 0.410 nan 8.280 nan 0.000 0.612 437 P HA 0.009 nan 4.420 nan 0.000 0.269 437 P C -1.178 176.259 177.300 0.228 0.000 1.209 437 P CA 0.135 63.339 63.100 0.174 0.000 0.776 437 P CB 0.431 32.154 31.700 0.040 0.000 0.876 438 F N 3.492 123.442 119.950 -0.000 0.000 2.539 438 F HA 0.453 4.957 4.527 -0.037 0.000 0.318 438 F C -2.366 173.409 175.800 -0.042 0.000 1.135 438 F CA -2.684 55.308 58.000 -0.014 0.000 0.915 438 F CB 1.353 40.346 39.000 -0.011 0.000 1.176 438 F HN 0.206 nan 8.300 nan 0.000 0.440 439 P HA 0.222 nan 4.420 nan 0.000 0.271 439 P C 0.698 177.759 177.300 -0.398 0.000 1.218 439 P CA -0.008 62.844 63.100 -0.412 0.000 0.780 439 P CB 1.185 32.644 31.700 -0.401 0.000 0.901 440 G N 3.472 112.131 108.800 -0.236 0.000 2.574 440 G HA2 -0.230 3.707 3.960 -0.037 0.000 0.220 440 G HA3 -0.230 3.707 3.960 -0.037 0.000 0.220 440 G C -0.999 173.780 174.900 -0.202 0.000 1.173 440 G CA 0.833 45.813 45.100 -0.200 0.000 0.772 440 G HN 0.479 nan 8.290 nan 0.000 0.585 441 P HA 0.146 nan 4.420 nan 0.000 0.242 441 P C 1.520 178.661 177.300 -0.265 0.000 1.197 441 P CA 0.799 63.766 63.100 -0.221 0.000 0.765 441 P CB -0.238 31.328 31.700 -0.224 0.000 0.936 442 G N 1.236 109.831 108.800 -0.340 0.000 2.627 442 G HA2 -0.353 3.585 3.960 -0.037 0.000 0.312 442 G HA3 -0.353 3.585 3.960 -0.037 0.000 0.312 442 G C 0.880 175.639 174.900 -0.235 0.000 1.299 442 G CA 0.404 45.258 45.100 -0.411 0.000 0.989 442 G HN 0.298 nan 8.290 nan 0.000 0.547 443 L N 1.377 122.669 121.223 0.115 0.000 2.549 443 L HA 0.084 4.402 4.340 -0.037 0.000 0.230 443 L C 3.296 180.150 176.870 -0.025 0.000 1.162 443 L CA 1.243 56.161 54.840 0.129 0.000 0.834 443 L CB -0.777 41.460 42.059 0.298 0.000 0.947 443 L HN 0.709 nan 8.230 nan 0.000 0.452 444 A N 1.373 123.983 122.820 -0.349 0.000 1.972 444 A HA -0.157 4.140 4.320 -0.037 0.000 0.219 444 A C 2.002 179.429 177.584 -0.262 0.000 1.169 444 A CA 1.610 53.297 52.037 -0.584 0.000 0.635 444 A CB -0.602 17.679 19.000 -1.199 0.000 0.810 444 A HN 0.614 nan 8.150 nan 0.000 0.446 445 I N -5.093 115.354 120.570 -0.205 0.000 3.861 445 I HA 0.270 4.418 4.170 -0.037 0.000 0.329 445 I C 1.158 177.247 176.117 -0.046 0.000 1.321 445 I CA 0.094 61.329 61.300 -0.109 0.000 1.126 445 I CB 0.190 38.123 38.000 -0.111 0.000 1.018 445 I HN 0.024 nan 8.210 nan 0.000 0.407 446 R N 0.555 121.027 120.500 -0.046 0.000 2.508 446 R HA 0.403 4.720 4.340 -0.037 0.000 0.300 446 R C -0.499 175.791 176.300 -0.016 0.000 0.970 446 R CA -0.096 55.991 56.100 -0.022 0.000 1.102 446 R CB 1.531 31.827 30.300 -0.008 0.000 1.246 446 R HN 0.190 nan 8.270 nan 0.000 0.539 447 V N 2.215 122.126 119.914 -0.004 0.000 2.378 447 V HA 0.281 4.378 4.120 -0.037 0.000 0.288 447 V C -0.150 175.945 176.094 0.001 0.000 1.016 447 V CA -0.916 61.385 62.300 0.002 0.000 0.840 447 V CB 1.701 33.537 31.823 0.021 0.000 0.994 447 V HN 0.068 nan 8.190 nan 0.000 0.431 448 I N 4.986 125.565 120.570 0.016 0.000 2.494 448 I HA 0.117 4.264 4.170 -0.037 0.000 0.289 448 I C 0.415 176.501 176.117 -0.053 0.000 1.106 448 I CA 0.817 62.133 61.300 0.026 0.000 1.369 448 I CB 0.170 38.231 38.000 0.103 0.000 1.410 448 I HN 0.568 nan 8.210 nan 0.000 0.523 449 C N 6.209 125.447 119.300 -0.104 0.000 2.350 449 C HA 0.919 5.357 4.460 -0.037 0.000 0.348 449 C C 0.477 175.290 174.990 -0.295 0.000 1.260 449 C CA -0.397 58.472 59.018 -0.248 0.000 1.966 449 C CB -0.218 27.390 27.740 -0.221 0.000 2.380 449 C HN 0.904 nan 8.230 nan 0.000 0.535 450 A N 2.701 125.247 122.820 -0.456 0.000 2.605 450 A HA 0.624 4.922 4.320 -0.037 0.000 0.294 450 A C -0.216 177.152 177.584 -0.361 0.000 1.062 450 A CA -0.307 51.541 52.037 -0.316 0.000 0.682 450 A CB 0.936 19.858 19.000 -0.131 0.000 1.278 450 A HN 0.781 nan 8.150 nan 0.000 0.410 451 E N -0.209 119.911 120.200 -0.133 0.000 2.306 451 E HA 0.132 4.459 4.350 -0.037 0.000 0.201 451 E C -0.175 176.438 176.600 0.021 0.000 0.874 451 E CA 0.246 56.663 56.400 0.027 0.000 0.972 451 E CB 0.246 30.052 29.700 0.177 0.000 0.957 451 E HN 0.658 nan 8.360 nan 0.000 0.492 452 E N 1.284 121.491 120.200 0.011 0.000 2.221 452 E HA 0.304 4.631 4.350 -0.037 0.000 0.268 452 E C -2.462 174.144 176.600 0.011 0.000 0.933 452 E CA -2.449 53.957 56.400 0.011 0.000 0.809 452 E CB 1.146 30.856 29.700 0.017 0.000 1.190 452 E HN 0.070 nan 8.360 nan 0.000 0.406 453 P HA -0.026 nan 4.420 nan 0.000 0.268 453 P C -0.579 176.743 177.300 0.037 0.000 1.205 453 P CA 0.003 63.103 63.100 -0.001 0.000 0.771 453 P CB 0.214 31.869 31.700 -0.074 0.000 0.858 454 Y N 3.952 124.230 120.300 -0.036 0.000 2.600 454 Y HA 0.416 4.942 4.550 -0.040 0.000 0.351 454 Y C -0.355 175.545 175.900 0.001 0.000 1.042 454 Y CA -0.276 57.806 58.100 -0.030 0.000 1.333 454 Y CB -0.385 38.059 38.460 -0.026 0.000 1.172 454 Y HN 0.173 nan 8.280 nan 0.000 0.517 455 I N 6.378 126.698 120.570 -0.417 0.000 2.468 455 I HA 0.276 4.424 4.170 -0.037 0.000 0.284 455 I C -0.683 175.233 176.117 -0.334 0.000 1.038 455 I CA -0.418 60.611 61.300 -0.451 0.000 1.083 455 I CB 0.826 38.462 38.000 -0.606 0.000 1.223 455 I HN 0.497 nan 8.210 nan 0.000 0.443 456 C N 3.815 123.007 119.300 -0.180 0.000 2.354 456 C HA 0.299 4.736 4.460 -0.037 0.000 0.381 456 C C 1.918 176.949 174.990 0.068 0.000 1.240 456 C CA -0.751 58.217 59.018 -0.083 0.000 2.089 456 C CB 1.337 29.017 27.740 -0.101 0.000 2.234 456 C HN 0.764 nan 8.230 nan 0.000 0.544 457 K N 0.764 121.196 120.400 0.052 0.000 2.360 457 K HA -0.133 4.165 4.320 -0.037 0.000 0.201 457 K C 1.195 177.855 176.600 0.101 0.000 1.046 457 K CA 1.629 57.956 56.287 0.067 0.000 0.945 457 K CB -0.116 32.408 32.500 0.040 0.000 0.750 457 K HN 0.749 nan 8.250 nan 0.000 0.464 458 D N -0.033 120.449 120.400 0.136 0.000 2.347 458 D HA -0.151 4.466 4.640 -0.037 0.000 0.213 458 D C 1.553 177.913 176.300 0.099 0.000 0.985 458 D CA 0.233 54.305 54.000 0.120 0.000 0.879 458 D CB -0.387 40.502 40.800 0.149 0.000 0.919 458 D HN 0.089 nan 8.370 nan 0.000 0.526 459 F N 2.330 122.267 119.950 -0.022 0.000 2.043 459 F HA -0.134 4.373 4.527 -0.033 0.000 0.297 459 F C -0.802 174.932 175.800 -0.111 0.000 1.118 459 F CA 1.685 59.602 58.000 -0.137 0.000 1.202 459 F CB -1.232 37.722 39.000 -0.075 0.000 0.965 459 F HN 0.007 nan 8.300 nan 0.000 0.482 460 P HA -0.201 nan 4.420 nan 0.000 0.215 460 P C 1.472 178.712 177.300 -0.100 0.000 1.157 460 P CA 2.058 65.133 63.100 -0.041 0.000 0.863 460 P CB -0.204 31.525 31.700 0.047 0.000 0.787 461 E N -0.696 119.468 120.200 -0.060 0.000 2.058 461 E HA -0.160 4.167 4.350 -0.037 0.000 0.194 461 E C 1.593 178.133 176.600 -0.100 0.000 0.997 461 E CA 1.883 58.248 56.400 -0.058 0.000 0.801 461 E CB -0.452 29.232 29.700 -0.025 0.000 0.746 461 E HN 0.131 nan 8.360 nan 0.000 0.450 462 T N 1.256 115.723 114.554 -0.146 0.000 2.746 462 T HA -0.130 4.198 4.350 -0.037 0.000 0.267 462 T C 1.633 176.200 174.700 -0.222 0.000 1.039 462 T CA 1.203 63.194 62.100 -0.182 0.000 1.142 462 T CB -0.314 68.413 68.868 -0.236 0.000 0.866 462 T HN 0.168 nan 8.240 nan 0.000 0.444 463 N N 1.443 119.950 118.700 -0.321 0.000 2.166 463 N HA -0.061 4.657 4.740 -0.037 0.000 0.186 463 N C 1.812 177.243 175.510 -0.131 0.000 1.019 463 N CA 0.823 53.712 53.050 -0.268 0.000 0.856 463 N CB -0.455 37.806 38.487 -0.377 0.000 0.993 463 N HN 0.329 nan 8.380 nan 0.000 0.426 464 N N 1.250 119.886 118.700 -0.107 0.000 2.084 464 N HA -0.049 4.669 4.740 -0.037 0.000 0.190 464 N C 1.968 177.460 175.510 -0.030 0.000 1.030 464 N CA 0.535 53.555 53.050 -0.051 0.000 0.849 464 N CB -0.413 38.050 38.487 -0.040 0.000 1.012 464 N HN 0.294 nan 8.380 nan 0.000 0.423 465 I N 1.032 121.575 120.570 -0.046 0.000 2.151 465 I HA -0.274 3.873 4.170 -0.037 0.000 0.243 465 I C 2.069 178.169 176.117 -0.028 0.000 1.080 465 I CA 0.976 62.257 61.300 -0.032 0.000 1.339 465 I CB -0.219 37.750 38.000 -0.051 0.000 1.039 465 I HN 0.085 nan 8.210 nan 0.000 0.409 466 L N 0.386 121.577 121.223 -0.054 0.000 2.056 466 L HA -0.233 4.084 4.340 -0.037 0.000 0.207 466 L C 2.619 179.488 176.870 -0.001 0.000 1.078 466 L CA 1.377 56.188 54.840 -0.048 0.000 0.749 466 L CB -0.609 41.401 42.059 -0.082 0.000 0.901 466 L HN 0.228 nan 8.230 nan 0.000 0.433 467 K N 0.968 121.377 120.400 0.014 0.000 2.074 467 K HA -0.223 4.075 4.320 -0.037 0.000 0.209 467 K C 2.067 178.708 176.600 0.068 0.000 1.048 467 K CA 1.631 57.945 56.287 0.046 0.000 0.926 467 K CB -0.160 32.362 32.500 0.037 0.000 0.713 467 K HN 0.210 nan 8.250 nan 0.000 0.444 468 I N 0.542 121.156 120.570 0.073 0.000 2.226 468 I HA -0.276 3.871 4.170 -0.037 0.000 0.245 468 I C 2.191 178.420 176.117 0.185 0.000 1.100 468 I CA 0.930 62.307 61.300 0.129 0.000 1.374 468 I CB -0.111 37.967 38.000 0.131 0.000 1.057 468 I HN 0.023 nan 8.210 nan 0.000 0.413 469 V N 0.929 120.902 119.914 0.098 0.000 2.295 469 V HA -0.305 3.793 4.120 -0.037 0.000 0.246 469 V C 2.629 178.782 176.094 0.097 0.000 1.049 469 V CA 2.096 64.426 62.300 0.051 0.000 1.024 469 V CB -1.026 30.775 31.823 -0.037 0.000 0.648 469 V HN 0.512 nan 8.190 nan 0.000 0.447 470 A N -0.670 122.197 122.820 0.079 0.000 2.015 470 A HA -0.170 4.128 4.320 -0.037 0.000 0.219 470 A C 1.681 179.334 177.584 0.115 0.000 1.163 470 A CA 1.772 53.859 52.037 0.083 0.000 0.646 470 A CB -0.303 18.734 19.000 0.061 0.000 0.806 470 A HN 0.541 nan 8.150 nan 0.000 0.448 471 D N -1.937 118.541 120.400 0.130 0.000 2.772 471 D HA 0.232 4.850 4.640 -0.037 0.000 0.272 471 D C 0.600 176.985 176.300 0.142 0.000 1.314 471 D CA -0.573 53.495 54.000 0.114 0.000 0.835 471 D CB -0.376 40.471 40.800 0.078 0.000 1.080 471 D HN 0.187 nan 8.370 nan 0.000 0.482 472 F N 1.089 121.054 119.950 0.025 0.000 2.095 472 F HA -0.193 4.330 4.527 -0.006 0.000 0.298 472 F C 2.398 178.204 175.800 0.010 0.000 1.104 472 F CA 1.962 59.974 58.000 0.021 0.000 1.232 472 F CB -0.373 38.646 39.000 0.032 0.000 0.987 472 F HN 0.139 nan 8.300 nan 0.000 0.475 473 S N 0.248 115.929 115.700 -0.031 0.000 2.383 473 S HA -0.093 4.355 4.470 -0.037 0.000 0.227 473 S C 2.244 176.752 174.600 -0.154 0.000 1.026 473 S CA 0.791 58.902 58.200 -0.148 0.000 0.981 473 S CB -1.123 62.052 63.200 -0.040 0.000 0.818 473 S HN 0.402 nan 8.310 nan 0.000 0.472 474 A N 1.558 124.328 122.820 -0.082 0.000 1.897 474 A HA 0.047 4.344 4.320 -0.037 0.000 0.215 474 A C 2.438 179.965 177.584 -0.095 0.000 1.181 474 A CA 1.714 53.710 52.037 -0.069 0.000 0.620 474 A CB -1.372 17.614 19.000 -0.023 0.000 0.821 474 A HN 0.599 nan 8.150 nan 0.000 0.443 475 S N -0.512 115.130 115.700 -0.097 0.000 2.399 475 S HA -0.109 4.338 4.470 -0.037 0.000 0.231 475 S C 1.810 176.301 174.600 -0.182 0.000 1.022 475 S CA 1.465 59.611 58.200 -0.089 0.000 0.983 475 S CB -0.457 62.737 63.200 -0.009 0.000 0.803 475 S HN 0.268 nan 8.310 nan 0.000 0.480 476 V N 1.480 121.198 119.914 -0.327 0.000 2.594 476 V HA -0.084 4.013 4.120 -0.037 0.000 0.253 476 V C 2.124 178.089 176.094 -0.215 0.000 1.069 476 V CA 1.733 63.826 62.300 -0.345 0.000 1.082 476 V CB -0.516 30.995 31.823 -0.521 0.000 0.680 476 V HN 0.490 nan 8.190 nan 0.000 0.469 477 K N 0.800 121.095 120.400 -0.175 0.000 2.459 477 K HA 0.016 4.314 4.320 -0.037 0.000 0.193 477 K C 0.737 177.261 176.600 -0.128 0.000 1.030 477 K CA 0.403 56.613 56.287 -0.129 0.000 1.026 477 K CB 0.071 32.512 32.500 -0.099 0.000 0.809 477 K HN 0.545 nan 8.250 nan 0.000 0.504 478 K N 0.784 121.089 120.400 -0.158 0.000 3.029 478 K HA 0.249 4.547 4.320 -0.037 0.000 0.169 478 K C -2.939 173.415 176.600 -0.410 0.000 1.090 478 K CA -1.491 54.664 56.287 -0.220 0.000 0.883 478 K CB 0.789 33.216 32.500 -0.122 0.000 1.080 478 K HN -0.218 nan 8.250 nan 0.000 0.613 479 P HA 0.050 nan 4.420 nan 0.000 0.268 479 P C -0.699 176.291 177.300 -0.517 0.000 1.204 479 P CA 0.392 63.304 63.100 -0.314 0.000 0.768 479 P CB 0.626 32.220 31.700 -0.176 0.000 0.842 480 H N 0.520 119.585 119.070 -0.007 0.000 2.960 480 H HA 0.233 4.766 4.556 -0.039 0.000 0.303 480 H C 1.409 176.740 175.328 0.005 0.000 1.412 480 H CA -0.459 55.588 56.048 -0.002 0.000 1.227 480 H CB 0.628 30.389 29.762 -0.001 0.000 1.912 480 H HN 0.210 nan 8.280 nan 0.000 0.583 481 T N 0.822 115.470 114.554 0.156 0.000 2.665 481 T HA -0.160 4.167 4.350 -0.037 0.000 0.268 481 T C 1.952 176.693 174.700 0.068 0.000 1.035 481 T CA 1.539 63.687 62.100 0.080 0.000 1.151 481 T CB -0.112 68.788 68.868 0.053 0.000 0.862 481 T HN 0.177 nan 8.240 nan 0.000 0.438 482 L N 0.495 121.765 121.223 0.078 0.000 2.179 482 L HA 0.262 4.580 4.340 -0.037 0.000 0.208 482 L C 2.113 179.027 176.870 0.074 0.000 1.096 482 L CA 1.007 55.883 54.840 0.059 0.000 0.779 482 L CB -0.671 41.416 42.059 0.047 0.000 0.922 482 L HN 0.175 nan 8.230 nan 0.000 0.443 483 L N -0.793 120.487 121.223 0.095 0.000 2.046 483 L HA -0.251 4.067 4.340 -0.037 0.000 0.208 483 L C 2.450 179.378 176.870 0.097 0.000 1.077 483 L CA 1.692 56.596 54.840 0.107 0.000 0.747 483 L CB -0.380 41.718 42.059 0.065 0.000 0.896 483 L HN 0.313 nan 8.230 nan 0.000 0.432 484 Q N -0.616 119.223 119.800 0.065 0.000 2.124 484 Q HA -0.176 4.142 4.340 -0.037 0.000 0.202 484 Q C 2.313 178.342 176.000 0.048 0.000 0.977 484 Q CA 1.767 57.601 55.803 0.052 0.000 0.850 484 Q CB -0.049 28.710 28.738 0.035 0.000 0.901 484 Q HN 0.454 nan 8.270 nan 0.000 0.429 485 R N -0.914 119.611 120.500 0.042 0.000 2.075 485 R HA -0.092 4.225 4.340 -0.037 0.000 0.232 485 R C 2.222 178.536 176.300 0.023 0.000 1.126 485 R CA 1.360 57.475 56.100 0.025 0.000 0.963 485 R CB -0.424 29.885 30.300 0.016 0.000 0.858 485 R HN 0.121 nan 8.270 nan 0.000 0.435 486 V N 1.710 121.650 119.914 0.042 0.000 2.287 486 V HA -0.292 3.806 4.120 -0.037 0.000 0.248 486 V C 2.307 178.425 176.094 0.040 0.000 1.053 486 V CA 1.739 64.060 62.300 0.034 0.000 1.027 486 V CB -0.426 31.445 31.823 0.080 0.000 0.646 486 V HN 0.300 nan 8.190 nan 0.000 0.447 487 K N -0.066 120.393 120.400 0.098 0.000 2.063 487 K HA -0.176 4.122 4.320 -0.037 0.000 0.208 487 K C 2.164 178.793 176.600 0.048 0.000 1.048 487 K CA 1.639 57.986 56.287 0.101 0.000 0.928 487 K CB -0.402 32.167 32.500 0.114 0.000 0.713 487 K HN 0.497 nan 8.250 nan 0.000 0.442 488 A N 0.070 122.909 122.820 0.033 0.000 2.119 488 A HA -0.101 4.197 4.320 -0.037 0.000 0.217 488 A C 1.994 179.579 177.584 0.002 0.000 1.153 488 A CA 0.979 53.026 52.037 0.017 0.000 0.692 488 A CB -0.249 18.759 19.000 0.014 0.000 0.799 488 A HN 0.384 nan 8.150 nan 0.000 0.458 489 C N -0.539 118.756 119.300 -0.009 0.000 3.070 489 C HA 0.254 4.691 4.460 -0.037 0.000 0.280 489 C C 1.156 176.123 174.990 -0.037 0.000 1.264 489 C CA 0.428 59.428 59.018 -0.030 0.000 1.690 489 C CB -0.986 26.724 27.740 -0.050 0.000 2.049 489 C HN 0.648 nan 8.230 nan 0.000 0.636 490 T N -0.671 113.865 114.554 -0.031 0.000 2.888 490 T HA 0.521 4.849 4.350 -0.037 0.000 0.284 490 T C -0.008 174.687 174.700 -0.008 0.000 1.017 490 T CA -0.146 61.931 62.100 -0.040 0.000 1.022 490 T CB 1.363 70.178 68.868 -0.087 0.000 1.013 490 T HN 0.316 nan 8.240 nan 0.000 0.465 491 T N -0.244 114.311 114.554 0.002 0.000 2.900 491 T HA 0.181 4.509 4.350 -0.037 0.000 0.307 491 T C 1.189 175.907 174.700 0.030 0.000 1.065 491 T CA -0.547 61.565 62.100 0.019 0.000 1.105 491 T CB 0.787 69.671 68.868 0.027 0.000 0.979 491 T HN 0.742 nan 8.240 nan 0.000 0.544 492 E N 1.070 121.290 120.200 0.033 0.000 2.097 492 E HA -0.229 4.099 4.350 -0.037 0.000 0.196 492 E C 1.789 178.413 176.600 0.041 0.000 1.000 492 E CA 1.832 58.256 56.400 0.041 0.000 0.804 492 E CB -0.132 29.587 29.700 0.031 0.000 0.740 492 E HN 0.878 nan 8.360 nan 0.000 0.454 493 E N -0.075 120.146 120.200 0.035 0.000 2.072 493 E HA -0.162 4.166 4.350 -0.037 0.000 0.191 493 E C 1.854 178.479 176.600 0.041 0.000 0.985 493 E CA 1.101 57.519 56.400 0.030 0.000 0.801 493 E CB -0.015 29.703 29.700 0.029 0.000 0.750 493 E HN 0.272 nan 8.360 nan 0.000 0.452 494 D N 0.677 121.125 120.400 0.080 0.000 2.097 494 D HA -0.146 4.471 4.640 -0.037 0.000 0.197 494 D C 1.994 178.342 176.300 0.080 0.000 0.984 494 D CA 0.953 55.051 54.000 0.163 0.000 0.826 494 D CB -0.216 40.679 40.800 0.158 0.000 0.973 494 D HN 0.190 nan 8.370 nan 0.000 0.460 495 Q N 0.158 119.971 119.800 0.022 0.000 2.061 495 Q HA -0.211 4.107 4.340 -0.037 0.000 0.204 495 Q C 2.032 178.120 176.000 0.147 0.000 0.984 495 Q CA 1.409 57.230 55.803 0.030 0.000 0.846 495 Q CB -0.033 28.789 28.738 0.140 0.000 0.902 495 Q HN 0.123 nan 8.270 nan 0.000 0.421 496 E N 0.944 121.198 120.200 0.091 0.000 2.072 496 E HA -0.174 4.153 4.350 -0.037 0.000 0.191 496 E C 1.688 178.295 176.600 0.012 0.000 0.985 496 E CA 1.296 57.736 56.400 0.067 0.000 0.801 496 E CB 0.020 29.738 29.700 0.029 0.000 0.750 496 E HN 0.152 nan 8.360 nan 0.000 0.452 497 K N -0.479 119.880 120.400 -0.069 0.000 2.097 497 K HA -0.121 4.177 4.320 -0.037 0.000 0.205 497 K C 2.005 178.501 176.600 -0.175 0.000 1.050 497 K CA 0.973 57.127 56.287 -0.221 0.000 0.938 497 K CB -0.180 32.019 32.500 -0.501 0.000 0.718 497 K HN 0.149 nan 8.250 nan 0.000 0.442 498 L N 1.091 122.291 121.223 -0.037 0.000 2.046 498 L HA -0.164 4.153 4.340 -0.037 0.000 0.208 498 L C 2.082 179.084 176.870 0.219 0.000 1.077 498 L CA 1.582 56.465 54.840 0.071 0.000 0.747 498 L CB -0.419 41.559 42.059 -0.135 0.000 0.896 498 L HN 0.277 nan 8.230 nan 0.000 0.432 499 M N -1.155 118.629 119.600 0.307 0.000 2.089 499 M HA -0.261 4.197 4.480 -0.037 0.000 0.257 499 M C 2.219 178.574 176.300 0.092 0.000 1.071 499 M CA 1.744 57.187 55.300 0.238 0.000 1.096 499 M CB -1.295 31.394 32.600 0.148 0.000 1.330 499 M HN 0.357 nan 8.290 nan 0.000 0.403 500 Q N -0.109 119.709 119.800 0.030 0.000 1.990 500 Q HA -0.018 4.299 4.340 -0.037 0.000 0.200 500 Q C 2.262 178.245 176.000 -0.028 0.000 0.980 500 Q CA 1.339 57.127 55.803 -0.023 0.000 0.832 500 Q CB -0.572 28.131 28.738 -0.057 0.000 0.897 500 Q HN 0.567 nan 8.270 nan 0.000 0.427 501 I N 1.154 121.719 120.570 -0.008 0.000 2.113 501 I HA -0.311 3.837 4.170 -0.037 0.000 0.242 501 I C 2.323 178.493 176.117 0.088 0.000 1.064 501 I CA 1.968 63.299 61.300 0.053 0.000 1.320 501 I CB -0.658 37.383 38.000 0.068 0.000 1.028 501 I HN 0.309 nan 8.210 nan 0.000 0.406 502 T N -2.760 111.855 114.554 0.101 0.000 3.118 502 T HA 0.007 4.334 4.350 -0.037 0.000 0.260 502 T C 1.635 176.367 174.700 0.053 0.000 1.139 502 T CA 0.795 62.962 62.100 0.111 0.000 1.085 502 T CB -0.237 68.732 68.868 0.168 0.000 0.934 502 T HN 0.456 nan 8.240 nan 0.000 0.518 503 S N 0.819 116.522 115.700 0.005 0.000 2.483 503 S HA 0.272 4.720 4.470 -0.037 0.000 0.221 503 S C 1.814 176.351 174.600 -0.105 0.000 1.030 503 S CA -0.281 57.897 58.200 -0.037 0.000 0.925 503 S CB -0.589 62.588 63.200 -0.037 0.000 0.795 503 S HN 0.447 nan 8.310 nan 0.000 0.511 504 L N 0.455 121.556 121.223 -0.202 0.000 2.313 504 L HA 0.270 4.588 4.340 -0.037 0.000 0.214 504 L C 0.237 176.721 176.870 -0.643 0.000 1.119 504 L CA 0.652 55.228 54.840 -0.440 0.000 0.809 504 L CB -0.231 41.469 42.059 -0.599 0.000 0.933 504 L HN 0.379 nan 8.230 nan 0.000 0.449 505 H N -2.181 116.880 119.070 -0.015 0.000 2.895 505 H HA 0.316 4.848 4.556 -0.040 0.000 0.373 505 H C -0.390 174.938 175.328 0.001 0.000 1.174 505 H CA -0.829 55.209 56.048 -0.018 0.000 1.144 505 H CB 1.477 31.216 29.762 -0.038 0.000 1.793 505 H HN -0.148 nan 8.280 nan 0.000 0.551 506 S N 2.544 118.325 115.700 0.136 0.000 2.420 506 S HA 0.565 5.012 4.470 -0.037 0.000 0.313 506 S C -0.638 174.016 174.600 0.090 0.000 1.079 506 S CA -0.839 57.415 58.200 0.090 0.000 1.104 506 S CB -0.143 63.094 63.200 0.063 0.000 0.969 506 S HN 0.394 nan 8.310 nan 0.000 0.471 507 L N 2.978 124.254 121.223 0.089 0.000 2.333 507 L HA 0.614 4.931 4.340 -0.037 0.000 0.269 507 L C -0.397 176.527 176.870 0.090 0.000 1.010 507 L CA -1.040 53.847 54.840 0.079 0.000 0.818 507 L CB 1.583 43.682 42.059 0.066 0.000 1.306 507 L HN 0.577 nan 8.230 nan 0.000 0.430 508 N N 0.504 119.272 118.700 0.113 0.000 2.319 508 N HA 0.812 5.529 4.740 -0.037 0.000 0.305 508 N C -1.194 174.382 175.510 0.110 0.000 1.103 508 N CA -0.574 52.585 53.050 0.181 0.000 0.815 508 N CB 2.315 40.983 38.487 0.302 0.000 1.288 508 N HN 0.716 nan 8.380 nan 0.000 0.493 509 A N 1.125 123.999 122.820 0.091 0.000 2.449 509 A HA 0.879 5.176 4.320 -0.037 0.000 0.302 509 A C -1.560 176.005 177.584 -0.032 0.000 1.048 509 A CA -0.656 51.276 52.037 -0.175 0.000 0.708 509 A CB 0.558 19.479 19.000 -0.132 0.000 1.274 509 A HN 0.689 nan 8.150 nan 0.000 0.410 510 F N -0.671 119.263 119.950 -0.027 0.000 2.744 510 F HA 0.628 5.134 4.527 -0.034 0.000 0.311 510 F C -1.368 174.396 175.800 -0.060 0.000 1.144 510 F CA -1.206 56.754 58.000 -0.065 0.000 0.938 510 F CB 0.862 39.854 39.000 -0.013 0.000 1.292 510 F HN 0.462 nan 8.300 nan 0.000 0.444 511 L N 2.767 124.009 121.223 0.033 0.000 2.395 511 L HA 0.470 4.787 4.340 -0.037 0.000 0.269 511 L C -0.382 176.697 176.870 0.349 0.000 1.133 511 L CA -0.779 54.078 54.840 0.027 0.000 0.812 511 L CB 1.267 43.118 42.059 -0.347 0.000 1.125 511 L HN 0.556 nan 8.230 nan 0.000 0.452 512 L N 4.405 125.866 121.223 0.397 0.000 2.307 512 L HA 0.339 4.657 4.340 -0.037 0.000 0.282 512 L C -1.858 175.313 176.870 0.501 0.000 1.051 512 L CA -1.671 53.438 54.840 0.448 0.000 0.804 512 L CB 1.461 43.774 42.059 0.422 0.000 1.197 512 L HN 0.391 nan 8.230 nan 0.000 0.431 513 P HA 0.152 nan 4.420 nan 0.000 0.228 513 P C -0.765 176.735 177.300 0.334 0.000 1.748 513 P CA 0.236 63.548 63.100 0.354 0.000 0.909 513 P CB -0.618 31.145 31.700 0.104 0.000 1.882 514 I N -3.670 117.131 120.570 0.385 0.000 2.969 514 I HA 0.577 4.725 4.170 -0.037 0.000 0.307 514 I C -0.685 175.489 176.117 0.095 0.000 1.149 514 I CA -1.705 59.735 61.300 0.233 0.000 1.008 514 I CB 2.838 40.967 38.000 0.214 0.000 1.232 514 I HN -0.329 nan 8.210 nan 0.000 0.435 515 K N 2.029 122.334 120.400 -0.157 0.000 2.183 515 K HA 0.547 4.844 4.320 -0.037 0.000 0.274 515 K C -0.698 175.856 176.600 -0.077 0.000 1.009 515 K CA -0.399 55.675 56.287 -0.355 0.000 0.888 515 K CB 1.921 34.108 32.500 -0.521 0.000 1.078 515 K HN 0.754 nan 8.250 nan 0.000 0.459 516 T N 1.193 115.676 114.554 -0.120 0.000 2.907 516 T HA 0.273 4.601 4.350 -0.037 0.000 0.292 516 T C -1.066 173.448 174.700 -0.311 0.000 1.043 516 T CA -0.613 61.385 62.100 -0.171 0.000 1.003 516 T CB 1.603 70.181 68.868 -0.483 0.000 1.084 516 T HN 0.259 nan 8.240 nan 0.000 0.483 517 V N 2.495 122.150 119.914 -0.431 0.000 2.834 517 V HA 0.848 4.945 4.120 -0.037 0.000 0.301 517 V C 0.578 176.378 176.094 -0.490 0.000 1.066 517 V CA 0.868 62.719 62.300 -0.749 0.000 1.052 517 V CB 1.028 32.407 31.823 -0.740 0.000 1.021 517 V HN 1.145 nan 8.190 nan 0.000 0.480 518 G N 3.231 111.766 108.800 -0.442 0.000 2.646 518 G HA2 0.515 4.453 3.960 -0.037 0.000 0.291 518 G HA3 0.515 4.453 3.960 -0.037 0.000 0.291 518 G C -1.795 172.965 174.900 -0.234 0.000 1.445 518 G CA -0.162 44.762 45.100 -0.292 0.000 0.814 518 G HN 0.981 nan 8.290 nan 0.000 0.495 519 V N 0.632 120.445 119.914 -0.168 0.000 2.384 519 V HA 0.648 4.746 4.120 -0.037 0.000 0.287 519 V C -1.049 174.973 176.094 -0.120 0.000 1.020 519 V CA -0.648 61.574 62.300 -0.130 0.000 0.850 519 V CB 1.492 33.258 31.823 -0.096 0.000 0.987 519 V HN 0.635 nan 8.190 nan 0.000 0.436 520 Q N 5.168 124.899 119.800 -0.115 0.000 2.381 520 Q HA 0.490 4.807 4.340 -0.037 0.000 0.263 520 Q C 0.687 176.627 176.000 -0.100 0.000 1.030 520 Q CA 0.302 56.029 55.803 -0.127 0.000 0.772 520 Q CB 1.521 30.186 28.738 -0.122 0.000 1.232 520 Q HN 1.227 nan 8.270 nan 0.000 0.476 521 G N 4.324 113.065 108.800 -0.099 0.000 2.596 521 G HA2 -0.364 3.573 3.960 -0.037 0.000 0.304 521 G HA3 -0.364 3.573 3.960 -0.037 0.000 0.304 521 G C 0.370 175.239 174.900 -0.052 0.000 1.189 521 G CA 0.588 45.647 45.100 -0.069 0.000 0.986 521 G HN 0.591 nan 8.290 nan 0.000 0.548 522 D N 0.329 120.705 120.400 -0.040 0.000 2.348 522 D HA 0.197 4.815 4.640 -0.037 0.000 0.211 522 D C 0.882 177.161 176.300 -0.034 0.000 0.998 522 D CA 0.677 54.658 54.000 -0.031 0.000 0.873 522 D CB -0.079 40.708 40.800 -0.021 0.000 0.925 522 D HN 0.442 nan 8.370 nan 0.000 0.524 523 C N 1.059 120.333 119.300 -0.043 0.000 2.366 523 C HA 0.451 4.889 4.460 -0.037 0.000 0.345 523 C C 0.828 175.777 174.990 -0.069 0.000 1.209 523 C CA -0.981 58.011 59.018 -0.043 0.000 2.050 523 C CB 1.337 29.058 27.740 -0.032 0.000 2.359 523 C HN 0.088 nan 8.230 nan 0.000 0.527 524 R N 1.328 121.785 120.500 -0.071 0.000 2.539 524 R HA 0.490 4.808 4.340 -0.037 0.000 0.275 524 R C -0.134 176.091 176.300 -0.125 0.000 1.077 524 R CA 0.252 56.274 56.100 -0.129 0.000 1.097 524 R CB 1.042 31.268 30.300 -0.123 0.000 1.018 524 R HN 0.771 nan 8.270 nan 0.000 0.483 525 S N 1.646 117.205 115.700 -0.235 0.000 2.541 525 S HA 0.430 4.877 4.470 -0.037 0.000 0.271 525 S C -1.810 172.586 174.600 -0.340 0.000 1.133 525 S CA -0.709 57.396 58.200 -0.157 0.000 0.876 525 S CB 0.778 63.916 63.200 -0.103 0.000 1.105 525 S HN 0.425 nan 8.310 nan 0.000 0.470 526 Y N 1.940 122.167 120.300 -0.122 0.000 2.328 526 Y HA 0.734 5.262 4.550 -0.036 0.000 0.337 526 Y C 0.710 176.468 175.900 -0.238 0.000 0.966 526 Y CA -0.062 57.921 58.100 -0.195 0.000 1.136 526 Y CB 1.896 40.223 38.460 -0.222 0.000 1.170 526 Y HN 0.667 nan 8.280 nan 0.000 0.470 527 S N 1.383 116.985 115.700 -0.164 0.000 2.727 527 S HA 0.503 4.950 4.470 -0.037 0.000 0.278 527 S C -1.575 172.961 174.600 -0.107 0.000 1.186 527 S CA -0.776 57.333 58.200 -0.152 0.000 0.836 527 S CB 0.352 63.540 63.200 -0.020 0.000 1.186 527 S HN 0.374 nan 8.310 nan 0.000 0.499 528 Y N 0.933 121.332 120.300 0.165 0.000 2.550 528 Y HA 0.316 4.843 4.550 -0.039 0.000 0.343 528 Y C 0.586 176.506 175.900 0.033 0.000 1.245 528 Y CA 0.042 58.250 58.100 0.179 0.000 1.462 528 Y CB 0.238 38.835 38.460 0.228 0.000 1.340 528 Y HN 0.250 nan 8.280 nan 0.000 0.604 529 V N 2.490 122.551 119.914 0.245 0.000 2.472 529 V HA 0.245 4.342 4.120 -0.037 0.000 0.290 529 V C -0.195 175.988 176.094 0.149 0.000 1.037 529 V CA -1.109 61.253 62.300 0.103 0.000 0.908 529 V CB 1.406 33.301 31.823 0.122 0.000 0.985 529 V HN 0.959 nan 8.190 nan 0.000 0.454 530 C N 4.447 123.774 119.300 0.045 0.000 2.319 530 C HA 0.871 5.308 4.460 -0.037 0.000 0.335 530 C C 0.710 175.634 174.990 -0.108 0.000 1.274 530 C CA -0.185 58.807 59.018 -0.044 0.000 1.806 530 C CB -0.199 27.487 27.740 -0.090 0.000 2.329 530 C HN 1.068 nan 8.230 nan 0.000 0.524 531 G N 5.408 114.016 108.800 -0.320 0.000 2.371 531 G HA2 0.704 4.642 3.960 -0.037 0.000 0.326 531 G HA3 0.704 4.642 3.960 -0.037 0.000 0.326 531 G C -1.087 173.290 174.900 -0.872 0.000 1.127 531 G CA -0.507 44.299 45.100 -0.489 0.000 0.885 531 G HN 0.877 nan 8.290 nan 0.000 0.477 532 I N 1.360 121.658 120.570 -0.455 0.000 2.465 532 I HA 0.449 4.596 4.170 -0.037 0.000 0.291 532 I C 0.215 176.179 176.117 -0.255 0.000 1.014 532 I CA -0.663 60.448 61.300 -0.315 0.000 1.093 532 I CB 2.382 40.332 38.000 -0.083 0.000 1.267 532 I HN 0.609 nan 8.210 nan 0.000 0.431 533 S N 3.537 119.172 115.700 -0.108 0.000 2.671 533 S HA 0.883 5.330 4.470 -0.037 0.000 0.299 533 S C -0.556 174.059 174.600 0.025 0.000 1.116 533 S CA -0.618 57.492 58.200 -0.149 0.000 0.912 533 S CB 2.085 65.248 63.200 -0.062 0.000 1.130 533 S HN 0.683 nan 8.310 nan 0.000 0.501 534 S N -0.112 115.612 115.700 0.040 0.000 2.564 534 S HA 0.579 5.027 4.470 -0.037 0.000 0.274 534 S C 0.170 174.799 174.600 0.050 0.000 1.124 534 S CA -0.774 57.466 58.200 0.066 0.000 0.869 534 S CB 1.897 65.132 63.200 0.060 0.000 1.105 534 S HN 0.759 nan 8.310 nan 0.000 0.472 535 K N 0.887 121.317 120.400 0.050 0.000 2.031 535 K HA 0.176 4.473 4.320 -0.037 0.000 0.205 535 K C 0.387 177.012 176.600 0.042 0.000 1.049 535 K CA 1.568 57.881 56.287 0.044 0.000 0.939 535 K CB -0.372 32.154 32.500 0.044 0.000 0.717 535 K HN 0.760 nan 8.250 nan 0.000 0.438 536 D N -0.388 120.037 120.400 0.041 0.000 2.549 536 D HA 0.150 4.768 4.640 -0.037 0.000 0.270 536 D C -0.810 175.488 176.300 -0.002 0.000 1.181 536 D CA -0.519 53.500 54.000 0.032 0.000 1.070 536 D CB 0.841 41.669 40.800 0.047 0.000 1.154 536 D HN 0.068 nan 8.370 nan 0.000 0.602 537 E N 0.462 120.653 120.200 -0.016 0.000 2.481 537 E HA 0.098 4.426 4.350 -0.037 0.000 0.263 537 E C -1.875 174.571 176.600 -0.256 0.000 0.992 537 E CA -0.752 55.606 56.400 -0.070 0.000 0.938 537 E CB 0.272 29.953 29.700 -0.032 0.000 0.933 537 E HN 0.270 nan 8.360 nan 0.000 0.453 538 P HA 0.026 nan 4.420 nan 0.000 0.281 538 P C -0.966 175.745 177.300 -0.982 0.000 1.252 538 P CA -0.206 62.304 63.100 -0.984 0.000 0.778 538 P CB 0.737 31.317 31.700 -1.865 0.000 0.895 539 D N 2.576 122.450 120.400 -0.877 0.000 2.380 539 D HA 0.098 4.715 4.640 -0.037 0.000 0.230 539 D C 0.618 176.587 176.300 -0.551 0.000 1.154 539 D CA -0.383 53.267 54.000 -0.584 0.000 0.859 539 D CB 0.148 40.707 40.800 -0.402 0.000 1.045 539 D HN 0.264 nan 8.370 nan 0.000 0.495 540 W N 2.443 123.612 121.300 -0.218 0.000 2.353 540 W HA -0.120 4.516 4.660 -0.039 0.000 0.319 540 W C 2.099 178.553 176.519 -0.109 0.000 1.207 540 W CA 0.413 57.638 57.345 -0.200 0.000 1.291 540 W CB -0.123 29.226 29.460 -0.185 0.000 1.159 540 W HN 0.426 nan 8.180 nan 0.000 0.478 541 E N 0.209 120.493 120.200 0.140 0.000 2.147 541 E HA -0.196 4.132 4.350 -0.037 0.000 0.199 541 E C 2.023 178.677 176.600 0.089 0.000 1.005 541 E CA 1.776 58.237 56.400 0.102 0.000 0.810 541 E CB -0.900 28.841 29.700 0.069 0.000 0.736 541 E HN 0.228 nan 8.360 nan 0.000 0.460 542 S N 0.638 116.354 115.700 0.026 0.000 2.371 542 S HA -0.028 4.419 4.470 -0.037 0.000 0.224 542 S C 2.158 176.810 174.600 0.088 0.000 1.029 542 S CA 0.525 58.757 58.200 0.054 0.000 0.978 542 S CB -0.128 63.075 63.200 0.007 0.000 0.833 542 S HN 0.169 nan 8.310 nan 0.000 0.466 543 L N 1.276 122.480 121.223 -0.031 0.000 2.017 543 L HA -0.106 4.212 4.340 -0.037 0.000 0.208 543 L C 2.222 179.141 176.870 0.082 0.000 1.073 543 L CA 0.853 55.680 54.840 -0.021 0.000 0.745 543 L CB -0.624 41.337 42.059 -0.164 0.000 0.894 543 L HN 0.280 nan 8.230 nan 0.000 0.432 544 I N -0.387 120.261 120.570 0.130 0.000 2.194 544 I HA -0.345 3.803 4.170 -0.037 0.000 0.246 544 I C 2.572 178.758 176.117 0.116 0.000 1.093 544 I CA 1.825 63.207 61.300 0.136 0.000 1.355 544 I CB -0.960 37.127 38.000 0.146 0.000 1.046 544 I HN 0.238 nan 8.210 nan 0.000 0.413 545 F N 1.842 121.800 119.950 0.013 0.000 2.102 545 F HA -0.215 4.284 4.527 -0.047 0.000 0.298 545 F C 2.374 178.166 175.800 -0.013 0.000 1.105 545 F CA 1.663 59.662 58.000 -0.002 0.000 1.239 545 F CB -0.427 38.568 39.000 -0.008 0.000 0.991 545 F HN -0.088 nan 8.300 nan 0.000 0.474 546 L N 0.149 121.346 121.223 -0.044 0.000 2.046 546 L HA -0.190 4.128 4.340 -0.037 0.000 0.208 546 L C 2.835 179.598 176.870 -0.179 0.000 1.077 546 L CA 1.135 55.881 54.840 -0.157 0.000 0.747 546 L CB -1.362 40.691 42.059 -0.009 0.000 0.896 546 L HN 0.259 nan 8.230 nan 0.000 0.432 547 A N 0.141 122.911 122.820 -0.083 0.000 1.978 547 A HA -0.231 4.066 4.320 -0.037 0.000 0.220 547 A C 2.398 179.926 177.584 -0.094 0.000 1.170 547 A CA 1.803 53.809 52.037 -0.052 0.000 0.636 547 A CB -0.432 18.584 19.000 0.026 0.000 0.810 547 A HN 0.355 nan 8.150 nan 0.000 0.448 548 R N -1.686 118.720 120.500 -0.158 0.000 2.090 548 R HA 0.129 4.447 4.340 -0.037 0.000 0.219 548 R C 2.075 178.230 176.300 -0.240 0.000 1.100 548 R CA 0.861 56.860 56.100 -0.168 0.000 0.991 548 R CB -0.384 29.824 30.300 -0.152 0.000 0.893 548 R HN 0.458 nan 8.270 nan 0.000 0.443 549 L N 1.091 122.057 121.223 -0.428 0.000 2.017 549 L HA -0.113 4.205 4.340 -0.037 0.000 0.208 549 L C 1.852 178.578 176.870 -0.240 0.000 1.073 549 L CA 1.725 56.306 54.840 -0.432 0.000 0.745 549 L CB -0.286 41.353 42.059 -0.700 0.000 0.894 549 L HN 0.142 nan 8.230 nan 0.000 0.432 550 I N -0.235 120.215 120.570 -0.199 0.000 2.142 550 I HA -0.216 3.932 4.170 -0.037 0.000 0.240 550 I C -0.350 175.721 176.117 -0.077 0.000 1.078 550 I CA 1.378 62.601 61.300 -0.129 0.000 1.343 550 I CB -1.505 36.428 38.000 -0.112 0.000 1.046 550 I HN 0.253 nan 8.210 nan 0.000 0.405 551 P HA -0.143 nan 4.420 nan 0.000 0.218 551 P C 1.418 178.778 177.300 0.100 0.000 1.148 551 P CA 1.435 64.546 63.100 0.019 0.000 0.822 551 P CB -0.114 31.582 31.700 -0.006 0.000 0.784 552 R N -1.265 119.250 120.500 0.026 0.000 2.092 552 R HA 0.008 4.325 4.340 -0.037 0.000 0.231 552 R C 2.329 178.583 176.300 -0.076 0.000 1.119 552 R CA 1.424 57.559 56.100 0.059 0.000 0.970 552 R CB -0.572 29.714 30.300 -0.022 0.000 0.864 552 R HN 0.260 nan 8.270 nan 0.000 0.440 553 M N -0.756 118.774 119.600 -0.118 0.000 2.193 553 M HA -0.043 4.415 4.480 -0.037 0.000 0.265 553 M C 0.417 176.598 176.300 -0.199 0.000 1.071 553 M CA 0.840 56.042 55.300 -0.163 0.000 1.140 553 M CB 0.549 33.071 32.600 -0.129 0.000 1.369 553 M HN 0.080 nan 8.290 nan 0.000 0.423 554 C N 0.399 119.628 119.300 -0.119 0.000 2.362 554 C HA 0.301 4.739 4.460 -0.037 0.000 0.309 554 C C 0.847 175.871 174.990 0.057 0.000 1.110 554 C CA -1.009 57.971 59.018 -0.063 0.000 1.485 554 C CB -0.676 27.043 27.740 -0.036 0.000 1.949 554 C HN 0.394 nan 8.230 nan 0.000 0.419 555 H N 1.889 120.960 119.070 0.002 0.000 2.559 555 H HA -0.027 4.515 4.556 -0.024 0.000 0.273 555 H C 1.756 177.101 175.328 0.029 0.000 1.000 555 H CA 0.937 56.988 56.048 0.004 0.000 1.195 555 H CB -0.037 29.725 29.762 -0.000 0.000 1.368 555 H HN 0.736 nan 8.280 nan 0.000 0.592 556 N N 0.421 119.227 118.700 0.178 0.000 2.370 556 N HA -0.024 4.694 4.740 -0.037 0.000 0.198 556 N C -0.293 175.360 175.510 0.239 0.000 1.156 556 N CA 0.077 53.248 53.050 0.201 0.000 0.839 556 N CB 0.168 38.807 38.487 0.254 0.000 0.989 556 N HN -0.077 nan 8.380 nan 0.000 0.468 557 V N 1.517 121.522 119.914 0.151 0.000 2.409 557 V HA 0.259 4.356 4.120 -0.037 0.000 0.291 557 V C 0.083 176.194 176.094 0.029 0.000 1.020 557 V CA -0.760 61.610 62.300 0.116 0.000 0.848 557 V CB 1.596 33.457 31.823 0.062 0.000 0.990 557 V HN 0.063 nan 8.190 nan 0.000 0.430 558 N N 3.191 121.876 118.700 -0.024 0.000 2.388 558 N HA 0.228 4.945 4.740 -0.037 0.000 0.176 558 N C 0.471 175.878 175.510 -0.171 0.000 1.062 558 N CA 0.400 53.379 53.050 -0.119 0.000 0.895 558 N CB 0.473 38.845 38.487 -0.191 0.000 1.018 558 N HN 0.570 nan 8.380 nan 0.000 0.456 559 R N -0.485 119.918 120.500 -0.162 0.000 2.668 559 R HA 0.529 4.846 4.340 -0.037 0.000 0.272 559 R C -1.619 174.629 176.300 -0.086 0.000 1.019 559 R CA -0.554 55.432 56.100 -0.190 0.000 0.894 559 R CB 2.671 32.710 30.300 -0.435 0.000 1.228 559 R HN -0.260 nan 8.270 nan 0.000 0.460 560 V N 3.459 123.351 119.914 -0.036 0.000 2.531 560 V HA 0.502 4.600 4.120 -0.037 0.000 0.301 560 V C -0.377 175.765 176.094 0.081 0.000 1.034 560 V CA -0.749 61.552 62.300 0.001 0.000 0.865 560 V CB 1.742 33.555 31.823 -0.017 0.000 0.995 560 V HN 0.576 nan 8.190 nan 0.000 0.424 561 V N 2.464 122.442 119.914 0.108 0.000 2.864 561 V HA 0.697 4.794 4.120 -0.037 0.000 0.314 561 V C -1.189 174.991 176.094 0.144 0.000 1.073 561 V CA -0.995 61.425 62.300 0.200 0.000 0.956 561 V CB 1.951 33.953 31.823 0.298 0.000 1.023 561 V HN 0.727 nan 8.190 nan 0.000 0.435 562 Y N 3.347 123.684 120.300 0.062 0.000 2.320 562 Y HA 0.733 5.259 4.550 -0.039 0.000 0.334 562 Y C -0.185 175.610 175.900 -0.175 0.000 1.055 562 Y CA -1.061 56.977 58.100 -0.104 0.000 1.143 562 Y CB 1.281 39.643 38.460 -0.163 0.000 1.193 562 Y HN 0.706 nan 8.280 nan 0.000 0.477 563 I N 7.432 127.449 120.570 -0.923 0.000 2.336 563 I HA 0.205 4.352 4.170 -0.037 0.000 0.292 563 I C -0.705 174.824 176.117 -0.979 0.000 0.991 563 I CA -0.490 60.392 61.300 -0.697 0.000 1.227 563 I CB 0.568 38.294 38.000 -0.458 0.000 1.366 563 I HN 0.476 nan 8.210 nan 0.000 0.466 564 F N 3.908 123.655 119.950 -0.339 0.000 2.410 564 F HA 0.575 5.082 4.527 -0.034 0.000 0.334 564 F C 1.248 176.973 175.800 -0.125 0.000 1.134 564 F CA 0.651 58.574 58.000 -0.127 0.000 1.227 564 F CB 0.703 39.746 39.000 0.071 0.000 1.194 564 F HN 0.704 nan 8.300 nan 0.000 0.571 565 G N 1.640 110.542 108.800 0.169 0.000 2.627 565 G HA2 -0.104 3.834 3.960 -0.037 0.000 0.214 565 G HA3 -0.104 3.834 3.960 -0.037 0.000 0.214 565 G C -2.884 172.033 174.900 0.028 0.000 1.331 565 G CA -1.256 43.897 45.100 0.089 0.000 0.891 565 G HN 0.569 nan 8.290 nan 0.000 0.539 566 P HA 0.286 nan 4.420 nan 0.000 0.269 566 P C -2.392 174.908 177.300 -0.001 0.000 1.211 566 P CA -0.444 62.668 63.100 0.020 0.000 0.781 566 P CB -0.724 30.992 31.700 0.026 0.000 0.877 567 P HA 0.007 nan 4.420 nan 0.000 0.267 567 P C -0.496 176.810 177.300 0.011 0.000 1.200 567 P CA 0.234 63.346 63.100 0.020 0.000 0.772 567 P CB 0.220 31.940 31.700 0.034 0.000 0.855 568 V N 2.659 122.584 119.914 0.018 0.000 2.304 568 V HA 0.226 4.323 4.120 -0.037 0.000 0.262 568 V C 1.569 177.599 176.094 -0.106 0.000 1.061 568 V CA 0.474 62.748 62.300 -0.043 0.000 0.872 568 V CB -0.253 31.519 31.823 -0.084 0.000 1.077 568 V HN 0.658 nan 8.190 nan 0.000 0.480 569 K N 3.584 123.948 120.400 -0.060 0.000 2.116 569 K HA 0.069 4.367 4.320 -0.037 0.000 0.203 569 K C 0.799 177.342 176.600 -0.096 0.000 1.052 569 K CA 0.991 57.245 56.287 -0.054 0.000 0.952 569 K CB 0.101 32.589 32.500 -0.019 0.000 0.729 569 K HN 0.652 nan 8.250 nan 0.000 0.446 570 E N 1.392 121.530 120.200 -0.103 0.000 2.489 570 E HA 0.235 4.563 4.350 -0.037 0.000 0.232 570 E C -2.821 173.687 176.600 -0.152 0.000 0.990 570 E CA -2.094 54.240 56.400 -0.110 0.000 0.768 570 E CB 1.285 30.947 29.700 -0.062 0.000 1.270 570 E HN 0.333 nan 8.360 nan 0.000 0.423 571 P HA 0.119 nan 4.420 nan 0.000 0.268 571 P C -2.281 174.930 177.300 -0.149 0.000 1.204 571 P CA -1.028 61.895 63.100 -0.295 0.000 0.768 571 P CB -0.189 31.213 31.700 -0.497 0.000 0.842 572 P HA 0.019 nan 4.420 nan 0.000 0.268 572 P C 0.656 177.919 177.300 -0.062 0.000 1.205 572 P CA 0.215 63.208 63.100 -0.179 0.000 0.771 572 P CB 0.168 31.676 31.700 -0.321 0.000 0.858 573 T N -2.436 112.090 114.554 -0.047 0.000 3.092 573 T HA 0.145 4.472 4.350 -0.037 0.000 0.258 573 T C 0.196 174.851 174.700 -0.075 0.000 1.031 573 T CA -0.330 61.747 62.100 -0.038 0.000 0.925 573 T CB -0.286 68.564 68.868 -0.030 0.000 1.036 573 T HN 0.471 nan 8.240 nan 0.000 0.544 574 D N 1.043 121.400 120.400 -0.071 0.000 2.493 574 D HA 0.556 5.174 4.640 -0.037 0.000 0.239 574 D C -0.403 175.866 176.300 -0.050 0.000 1.049 574 D CA -1.055 52.909 54.000 -0.059 0.000 1.008 574 D CB 1.801 42.568 40.800 -0.056 0.000 1.398 574 D HN 0.188 nan 8.370 nan 0.000 0.513 575 V N -3.323 116.574 119.914 -0.029 0.000 2.864 575 V HA 0.698 4.796 4.120 -0.037 0.000 0.314 575 V C -0.058 176.035 176.094 -0.001 0.000 1.073 575 V CA -0.788 61.503 62.300 -0.016 0.000 0.956 575 V CB 1.397 33.214 31.823 -0.011 0.000 1.023 575 V HN 0.597 nan 8.190 nan 0.000 0.435 576 T N 5.167 119.729 114.554 0.013 0.000 2.779 576 T HA 0.334 4.661 4.350 -0.037 0.000 0.296 576 T C -2.496 172.207 174.700 0.004 0.000 0.938 576 T CA -0.410 61.708 62.100 0.030 0.000 1.119 576 T CB 0.585 69.480 68.868 0.045 0.000 0.891 576 T HN 0.698 nan 8.240 nan 0.000 0.526 577 P HA 0.161 nan 4.420 nan 0.000 0.261 577 P C -0.588 176.710 177.300 -0.003 0.000 1.183 577 P CA 0.144 63.263 63.100 0.031 0.000 0.761 577 P CB 0.356 32.140 31.700 0.140 0.000 0.785 578 T N 3.760 118.169 114.554 -0.243 0.000 3.071 578 T HA 0.635 4.963 4.350 -0.037 0.000 0.311 578 T C -0.864 173.478 174.700 -0.597 0.000 1.042 578 T CA -0.156 61.806 62.100 -0.229 0.000 1.028 578 T CB 0.540 69.320 68.868 -0.148 0.000 1.068 578 T HN 0.054 nan 8.240 nan 0.000 0.451 579 F N 0.537 120.497 119.950 0.017 0.000 2.692 579 F HA 0.514 5.019 4.527 -0.036 0.000 0.320 579 F C -0.202 175.614 175.800 0.026 0.000 1.123 579 F CA -1.386 56.626 58.000 0.019 0.000 0.961 579 F CB 1.270 40.277 39.000 0.011 0.000 1.383 579 F HN 0.299 nan 8.300 nan 0.000 0.483 580 L N 2.302 123.682 121.223 0.262 0.000 2.376 580 L HA 0.195 4.513 4.340 -0.037 0.000 0.250 580 L C 0.059 176.977 176.870 0.079 0.000 1.335 580 L CA -0.167 54.799 54.840 0.211 0.000 1.214 580 L CB -1.508 40.740 42.059 0.315 0.000 1.395 580 L HN 0.603 nan 8.230 nan 0.000 0.424 581 T N -4.618 109.949 114.554 0.020 0.000 2.943 581 T HA 0.228 4.555 4.350 -0.037 0.000 0.284 581 T C 1.423 176.009 174.700 -0.190 0.000 1.015 581 T CA -0.189 61.846 62.100 -0.108 0.000 1.042 581 T CB 1.611 70.469 68.868 -0.017 0.000 1.055 581 T HN 0.445 nan 8.240 nan 0.000 0.500 582 T N -1.024 113.360 114.554 -0.283 0.000 2.803 582 T HA -0.024 4.304 4.350 -0.037 0.000 0.269 582 T C 2.193 176.842 174.700 -0.085 0.000 1.052 582 T CA 1.271 63.235 62.100 -0.226 0.000 1.136 582 T CB -1.143 67.622 68.868 -0.172 0.000 0.864 582 T HN 0.825 nan 8.240 nan 0.000 0.467 583 G N 0.975 109.743 108.800 -0.052 0.000 2.394 583 G HA2 -0.079 3.859 3.960 -0.037 0.000 0.214 583 G HA3 -0.079 3.859 3.960 -0.037 0.000 0.214 583 G C 1.648 176.549 174.900 0.001 0.000 1.176 583 G CA 0.725 45.816 45.100 -0.016 0.000 0.786 583 G HN 0.463 nan 8.290 nan 0.000 0.533 584 V N 1.126 121.046 119.914 0.009 0.000 2.332 584 V HA -0.155 3.942 4.120 -0.037 0.000 0.248 584 V C 2.935 179.054 176.094 0.043 0.000 1.055 584 V CA 1.575 63.893 62.300 0.029 0.000 1.038 584 V CB -0.429 31.420 31.823 0.044 0.000 0.651 584 V HN 0.341 nan 8.190 nan 0.000 0.450 585 L N -0.536 120.712 121.223 0.042 0.000 2.093 585 L HA -0.140 4.178 4.340 -0.037 0.000 0.208 585 L C 2.677 179.584 176.870 0.062 0.000 1.085 585 L CA 1.617 56.507 54.840 0.082 0.000 0.755 585 L CB -0.670 41.445 42.059 0.093 0.000 0.904 585 L HN 0.330 nan 8.230 nan 0.000 0.435 586 S N -0.673 115.044 115.700 0.028 0.000 2.356 586 S HA -0.194 4.254 4.470 -0.037 0.000 0.223 586 S C 2.031 176.648 174.600 0.027 0.000 1.032 586 S CA 2.038 60.249 58.200 0.019 0.000 1.005 586 S CB -0.165 63.036 63.200 0.002 0.000 0.867 586 S HN 0.419 nan 8.310 nan 0.000 0.449 587 T N 2.648 117.220 114.554 0.030 0.000 2.652 587 T HA -0.096 4.232 4.350 -0.037 0.000 0.267 587 T C 1.688 176.419 174.700 0.052 0.000 1.039 587 T CA 1.499 63.620 62.100 0.035 0.000 1.153 587 T CB -0.549 68.335 68.868 0.028 0.000 0.863 587 T HN 0.272 nan 8.240 nan 0.000 0.428 588 L N 1.119 122.379 121.223 0.062 0.000 2.042 588 L HA 0.018 4.335 4.340 -0.037 0.000 0.210 588 L C 2.468 179.400 176.870 0.103 0.000 1.076 588 L CA 1.717 56.604 54.840 0.079 0.000 0.749 588 L CB -0.605 41.507 42.059 0.088 0.000 0.893 588 L HN 0.081 nan 8.230 nan 0.000 0.432 589 R N -1.251 119.306 120.500 0.095 0.000 2.073 589 R HA -0.229 4.089 4.340 -0.037 0.000 0.234 589 R C 2.359 178.726 176.300 0.111 0.000 1.134 589 R CA 1.660 57.816 56.100 0.094 0.000 0.952 589 R CB -0.219 30.110 30.300 0.049 0.000 0.850 589 R HN 0.400 nan 8.270 nan 0.000 0.433 590 Q N 0.188 120.038 119.800 0.083 0.000 2.050 590 Q HA -0.098 4.220 4.340 -0.037 0.000 0.202 590 Q C 1.775 177.889 176.000 0.190 0.000 0.980 590 Q CA 2.198 58.072 55.803 0.119 0.000 0.840 590 Q CB -0.364 28.413 28.738 0.065 0.000 0.898 590 Q HN 0.386 nan 8.270 nan 0.000 0.424 591 A N 0.867 123.767 122.820 0.133 0.000 1.851 591 A HA -0.242 4.055 4.320 -0.037 0.000 0.216 591 A C 2.060 179.735 177.584 0.152 0.000 1.195 591 A CA 1.930 54.037 52.037 0.117 0.000 0.622 591 A CB -1.257 17.789 19.000 0.077 0.000 0.831 591 A HN 0.657 nan 8.150 nan 0.000 0.444 592 D N -1.297 119.214 120.400 0.186 0.000 2.133 592 D HA -0.218 4.400 4.640 -0.037 0.000 0.195 592 D C 1.810 178.314 176.300 0.339 0.000 0.997 592 D CA 1.763 55.925 54.000 0.269 0.000 0.840 592 D CB -0.222 40.721 40.800 0.239 0.000 0.947 592 D HN 0.374 nan 8.370 nan 0.000 0.452 593 F N 1.698 121.715 119.950 0.111 0.000 2.069 593 F HA -0.135 4.369 4.527 -0.037 0.000 0.298 593 F C 2.367 178.221 175.800 0.091 0.000 1.113 593 F CA 1.769 59.817 58.000 0.080 0.000 1.214 593 F CB -0.359 38.661 39.000 0.033 0.000 0.978 593 F HN -0.058 nan 8.300 nan 0.000 0.474 594 E N 0.295 120.535 120.200 0.067 0.000 2.038 594 E HA -0.238 4.089 4.350 -0.037 0.000 0.195 594 E C 2.396 178.945 176.600 -0.086 0.000 1.000 594 E CA 1.211 57.572 56.400 -0.065 0.000 0.803 594 E CB -0.588 29.142 29.700 0.051 0.000 0.750 594 E HN 0.500 nan 8.360 nan 0.000 0.448 595 A N 0.958 123.763 122.820 -0.024 0.000 1.908 595 A HA -0.249 4.049 4.320 -0.037 0.000 0.218 595 A C 1.772 179.271 177.584 -0.142 0.000 1.181 595 A CA 1.996 53.983 52.037 -0.084 0.000 0.627 595 A CB -0.871 18.071 19.000 -0.096 0.000 0.818 595 A HN 0.277 nan 8.150 nan 0.000 0.445 596 H N -0.519 118.520 119.070 -0.051 0.000 2.395 596 H HA -0.028 4.506 4.556 -0.037 0.000 0.299 596 H C 2.087 177.347 175.328 -0.112 0.000 1.070 596 H CA 1.457 57.481 56.048 -0.040 0.000 1.356 596 H CB 0.015 29.772 29.762 -0.007 0.000 1.401 596 H HN 0.413 nan 8.280 nan 0.000 0.524 597 N N 0.297 118.907 118.700 -0.150 0.000 2.142 597 N HA -0.100 4.617 4.740 -0.037 0.000 0.186 597 N C 1.860 177.294 175.510 -0.126 0.000 1.023 597 N CA 0.908 53.823 53.050 -0.225 0.000 0.852 597 N CB -0.140 38.062 38.487 -0.474 0.000 0.998 597 N HN 0.328 nan 8.380 nan 0.000 0.424 598 I N 0.473 120.974 120.570 -0.114 0.000 2.179 598 I HA -0.255 3.893 4.170 -0.037 0.000 0.242 598 I C 2.224 178.321 176.117 -0.034 0.000 1.088 598 I CA 0.660 61.918 61.300 -0.071 0.000 1.357 598 I CB -0.222 37.735 38.000 -0.073 0.000 1.051 598 I HN 0.075 nan 8.210 nan 0.000 0.409 599 L N 1.032 122.235 121.223 -0.033 0.000 1.989 599 L HA -0.245 4.073 4.340 -0.037 0.000 0.211 599 L C 2.638 179.543 176.870 0.059 0.000 1.071 599 L CA 1.920 56.770 54.840 0.018 0.000 0.749 599 L CB -0.613 41.451 42.059 0.008 0.000 0.890 599 L HN 0.079 nan 8.230 nan 0.000 0.431 600 R N -0.371 120.151 120.500 0.036 0.000 2.073 600 R HA -0.178 4.140 4.340 -0.037 0.000 0.234 600 R C 2.226 178.533 176.300 0.012 0.000 1.134 600 R CA 1.893 58.008 56.100 0.025 0.000 0.952 600 R CB -0.300 30.000 30.300 0.001 0.000 0.850 600 R HN 0.510 nan 8.270 nan 0.000 0.433 601 E N -0.338 119.859 120.200 -0.005 0.000 2.265 601 E HA -0.144 4.184 4.350 -0.037 0.000 0.196 601 E C 1.592 178.206 176.600 0.022 0.000 0.996 601 E CA 1.335 57.732 56.400 -0.005 0.000 0.832 601 E CB 0.095 29.782 29.700 -0.022 0.000 0.756 601 E HN 0.461 nan 8.360 nan 0.000 0.491 602 S N -1.291 114.443 115.700 0.057 0.000 2.527 602 S HA 0.113 4.561 4.470 -0.037 0.000 0.222 602 S C 1.654 176.355 174.600 0.168 0.000 0.985 602 S CA 0.490 58.766 58.200 0.126 0.000 0.921 602 S CB 0.499 63.791 63.200 0.155 0.000 0.772 602 S HN 0.346 nan 8.310 nan 0.000 0.529 603 G N 0.111 108.949 108.800 0.063 0.000 2.176 603 G HA2 -0.297 3.640 3.960 -0.037 0.000 0.253 603 G HA3 -0.297 3.640 3.960 -0.037 0.000 0.253 603 G C 0.291 175.081 174.900 -0.183 0.000 0.979 603 G CA 0.433 45.488 45.100 -0.075 0.000 0.641 603 G HN 0.607 nan 8.290 nan 0.000 0.530 604 Y N 0.464 120.767 120.300 0.005 0.000 2.458 604 Y HA 0.517 5.045 4.550 -0.037 0.000 0.256 604 Y C 2.615 178.545 175.900 0.049 0.000 1.159 604 Y CA 0.914 59.024 58.100 0.015 0.000 1.261 604 Y CB 0.241 38.701 38.460 -0.001 0.000 1.119 604 Y HN 0.371 nan 8.280 nan 0.000 0.524 605 A N 0.162 123.078 122.820 0.160 0.000 1.978 605 A HA -0.162 4.136 4.320 -0.037 0.000 0.220 605 A C 2.464 180.199 177.584 0.252 0.000 1.170 605 A CA 1.889 54.049 52.037 0.206 0.000 0.636 605 A CB -1.120 17.944 19.000 0.107 0.000 0.810 605 A HN 0.479 nan 8.150 nan 0.000 0.448 606 G N -1.112 107.765 108.800 0.127 0.000 2.650 606 G HA2 -0.035 3.902 3.960 -0.037 0.000 0.214 606 G HA3 -0.035 3.902 3.960 -0.037 0.000 0.214 606 G C 1.330 176.301 174.900 0.117 0.000 1.136 606 G CA 0.520 45.689 45.100 0.115 0.000 0.789 606 G HN 0.361 nan 8.290 nan 0.000 0.536 607 K N 0.217 120.690 120.400 0.121 0.000 2.418 607 K HA 0.181 4.479 4.320 -0.037 0.000 0.195 607 K C 0.948 177.593 176.600 0.076 0.000 1.035 607 K CA -0.018 56.329 56.287 0.101 0.000 1.003 607 K CB -0.014 32.587 32.500 0.169 0.000 0.793 607 K HN 0.639 nan 8.250 nan 0.000 0.494 608 I N -3.413 117.213 120.570 0.093 0.000 2.569 608 I HA 0.306 4.453 4.170 -0.037 0.000 0.296 608 I C 0.697 176.789 176.117 -0.041 0.000 1.028 608 I CA -0.484 60.818 61.300 0.004 0.000 1.082 608 I CB 2.494 40.482 38.000 -0.020 0.000 1.264 608 I HN -0.304 nan 8.210 nan 0.000 0.429 609 S N 2.558 118.217 115.700 -0.069 0.000 2.371 609 S HA 0.005 4.453 4.470 -0.037 0.000 0.224 609 S C 0.560 175.143 174.600 -0.029 0.000 1.029 609 S CA 0.818 59.020 58.200 0.002 0.000 0.978 609 S CB -0.196 62.936 63.200 -0.112 0.000 0.833 609 S HN 0.781 nan 8.310 nan 0.000 0.466 610 Q N -0.912 118.855 119.800 -0.054 0.000 2.522 610 Q HA 0.524 4.841 4.340 -0.037 0.000 0.285 610 Q C -2.004 174.008 176.000 0.020 0.000 0.982 610 Q CA -0.308 55.483 55.803 -0.020 0.000 0.805 610 Q CB 1.748 30.685 28.738 0.332 0.000 1.457 610 Q HN 0.252 nan 8.270 nan 0.000 0.394 611 M N 3.693 123.340 119.600 0.078 0.000 2.073 611 M HA 0.379 4.837 4.480 -0.037 0.000 0.218 611 M C -2.667 173.732 176.300 0.166 0.000 0.949 611 M CA -1.563 53.780 55.300 0.071 0.000 0.722 611 M CB 1.357 33.912 32.600 -0.074 0.000 1.762 611 M HN 0.238 nan 8.290 nan 0.000 0.348 612 P HA 0.075 nan 4.420 nan 0.000 0.265 612 P C -1.060 176.265 177.300 0.041 0.000 1.193 612 P CA -0.053 63.112 63.100 0.108 0.000 0.765 612 P CB 0.787 32.509 31.700 0.036 0.000 0.823 613 V N 5.594 125.559 119.914 0.084 0.000 2.417 613 V HA 0.406 4.504 4.120 -0.037 0.000 0.291 613 V C 0.292 176.354 176.094 -0.053 0.000 1.024 613 V CA -0.319 61.985 62.300 0.007 0.000 0.861 613 V CB 1.307 33.185 31.823 0.092 0.000 0.985 613 V HN 0.359 nan 8.190 nan 0.000 0.436 614 I N 5.012 125.469 120.570 -0.188 0.000 2.569 614 I HA 0.513 4.661 4.170 -0.037 0.000 0.296 614 I C -0.779 175.221 176.117 -0.194 0.000 1.028 614 I CA -0.592 60.552 61.300 -0.260 0.000 1.082 614 I CB 2.049 39.671 38.000 -0.631 0.000 1.264 614 I HN 0.430 nan 8.210 nan 0.000 0.429 615 L N 5.446 126.603 121.223 -0.110 0.000 2.307 615 L HA 0.733 5.050 4.340 -0.037 0.000 0.284 615 L C -0.114 176.732 176.870 -0.040 0.000 1.023 615 L CA 0.152 54.961 54.840 -0.053 0.000 0.810 615 L CB 1.552 43.608 42.059 -0.005 0.000 1.231 615 L HN 0.779 nan 8.230 nan 0.000 0.423 616 T N 1.857 116.408 114.554 -0.004 0.000 2.887 616 T HA 0.590 4.918 4.350 -0.037 0.000 0.288 616 T C -2.519 172.215 174.700 0.058 0.000 1.021 616 T CA -1.938 60.190 62.100 0.048 0.000 1.000 616 T CB 1.794 70.727 68.868 0.108 0.000 1.034 616 T HN 0.522 nan 8.240 nan 0.000 0.467 617 P HA 0.276 nan 4.420 nan 0.000 0.246 617 P C -0.693 176.625 177.300 0.029 0.000 1.686 617 P CA -0.228 62.885 63.100 0.021 0.000 0.867 617 P CB -0.363 31.329 31.700 -0.014 0.000 1.733 618 L N 0.368 121.623 121.223 0.054 0.000 2.333 618 L HA 0.421 4.739 4.340 -0.037 0.000 0.280 618 L C 0.236 177.127 176.870 0.036 0.000 1.004 618 L CA -0.748 54.076 54.840 -0.026 0.000 0.820 618 L CB 1.821 43.864 42.059 -0.028 0.000 1.247 618 L HN 0.123 nan 8.230 nan 0.000 0.416 619 H N 3.461 122.430 119.070 -0.168 0.000 2.638 619 H HA 0.468 5.001 4.556 -0.038 0.000 0.317 619 H C -1.200 174.047 175.328 -0.134 0.000 1.006 619 H CA -0.693 55.325 56.048 -0.049 0.000 1.222 619 H CB 0.977 30.725 29.762 -0.023 0.000 1.419 619 H HN 0.377 nan 8.280 nan 0.000 0.489 620 F N 2.601 122.730 119.950 0.298 0.000 2.408 620 F HA 0.133 4.637 4.527 -0.039 0.000 0.325 620 F C 0.651 176.518 175.800 0.111 0.000 1.082 620 F CA -0.346 57.734 58.000 0.134 0.000 1.032 620 F CB 0.989 40.050 39.000 0.102 0.000 1.259 620 F HN 0.704 nan 8.300 nan 0.000 0.503 621 D N 0.244 120.782 120.400 0.230 0.000 2.835 621 D HA -0.200 4.417 4.640 -0.037 0.000 0.230 621 D C -0.264 176.057 176.300 0.035 0.000 1.130 621 D CA 0.414 54.487 54.000 0.123 0.000 0.738 621 D CB -1.081 39.808 40.800 0.148 0.000 1.090 621 D HN 0.487 nan 8.370 nan 0.000 0.433 622 R N 0.814 121.279 120.500 -0.057 0.000 2.297 622 R HA 0.213 4.531 4.340 -0.037 0.000 0.308 622 R C 0.284 176.546 176.300 -0.063 0.000 1.029 622 R CA -0.731 55.303 56.100 -0.109 0.000 0.929 622 R CB 1.105 31.265 30.300 -0.233 0.000 1.046 622 R HN -0.031 nan 8.270 nan 0.000 0.461 623 D N 4.874 125.249 120.400 -0.042 0.000 2.434 623 D HA -0.015 4.603 4.640 -0.037 0.000 0.252 623 D C -1.326 174.949 176.300 -0.042 0.000 1.185 623 D CA -1.457 52.525 54.000 -0.031 0.000 0.886 623 D CB 1.237 42.026 40.800 -0.018 0.000 1.148 623 D HN 0.292 nan 8.370 nan 0.000 0.483 624 P HA -0.101 nan 4.420 nan 0.000 0.219 624 P C 1.227 178.509 177.300 -0.030 0.000 1.150 624 P CA 0.535 63.610 63.100 -0.040 0.000 0.814 624 P CB 0.339 32.018 31.700 -0.035 0.000 0.787 625 L N -0.760 120.450 121.223 -0.023 0.000 2.627 625 L HA 0.148 4.466 4.340 -0.037 0.000 0.232 625 L C 2.309 179.169 176.870 -0.016 0.000 1.150 625 L CA 0.910 55.739 54.840 -0.017 0.000 0.917 625 L CB -0.819 41.233 42.059 -0.012 0.000 1.104 625 L HN -0.094 nan 8.230 nan 0.000 0.445 626 Q N 0.742 120.529 119.800 -0.021 0.000 2.317 626 Q HA 0.168 4.485 4.340 -0.037 0.000 0.220 626 Q C 1.365 177.352 176.000 -0.023 0.000 0.873 626 Q CA 0.886 56.677 55.803 -0.019 0.000 0.936 626 Q CB 0.385 29.110 28.738 -0.020 0.000 1.105 626 Q HN 0.203 nan 8.270 nan 0.000 0.520 627 K N 0.458 120.840 120.400 -0.029 0.000 3.020 627 K HA -0.249 4.049 4.320 -0.037 0.000 0.266 627 K C -0.280 176.300 176.600 -0.033 0.000 1.067 627 K CA 1.632 57.901 56.287 -0.030 0.000 0.780 627 K CB -3.066 29.422 32.500 -0.020 0.000 1.220 627 K HN 0.774 nan 8.250 nan 0.000 0.483 628 Q N 0.363 120.136 119.800 -0.045 0.000 2.304 628 Q HA 0.533 4.851 4.340 -0.037 0.000 0.260 628 Q C -1.744 174.217 176.000 -0.065 0.000 0.965 628 Q CA -1.607 54.169 55.803 -0.045 0.000 0.898 628 Q CB 1.070 29.781 28.738 -0.044 0.000 1.196 628 Q HN 0.445 nan 8.270 nan 0.000 0.402 629 P HA -0.020 nan 4.420 nan 0.000 0.274 629 P C -0.638 176.652 177.300 -0.017 0.000 1.246 629 P CA -0.431 62.657 63.100 -0.020 0.000 0.795 629 P CB 0.970 32.678 31.700 0.012 0.000 1.006 630 S N 0.170 115.872 115.700 0.004 0.000 2.422 630 S HA 0.209 4.657 4.470 -0.037 0.000 0.283 630 S C 0.763 175.471 174.600 0.181 0.000 1.163 630 S CA -0.580 57.666 58.200 0.077 0.000 1.054 630 S CB -0.994 62.221 63.200 0.024 0.000 0.967 630 S HN 0.437 nan 8.310 nan 0.000 0.499 631 C N 3.759 123.286 119.300 0.379 0.000 3.294 631 C HA 0.327 4.765 4.460 -0.037 0.000 0.441 631 C C 0.969 175.973 174.990 0.022 0.000 1.364 631 C CA -0.329 58.790 59.018 0.169 0.000 2.059 631 C CB -0.553 27.275 27.740 0.147 0.000 2.925 631 C HN 0.748 nan 8.230 nan 0.000 0.633 632 Q N 0.733 120.422 119.800 -0.186 0.000 2.212 632 Q HA 0.549 4.866 4.340 -0.037 0.000 0.238 632 Q C -0.456 175.487 176.000 -0.095 0.000 0.955 632 Q CA -0.007 55.604 55.803 -0.320 0.000 0.906 632 Q CB 1.222 29.505 28.738 -0.759 0.000 1.215 632 Q HN 0.442 nan 8.270 nan 0.000 0.478 633 R N -0.305 120.169 120.500 -0.043 0.000 2.919 633 R HA 0.635 4.952 4.340 -0.037 0.000 0.260 633 R C -1.032 175.312 176.300 0.073 0.000 1.067 633 R CA -0.583 55.535 56.100 0.030 0.000 1.003 633 R CB 2.115 32.427 30.300 0.021 0.000 1.192 633 R HN 0.453 nan 8.270 nan 0.000 0.488 634 S N 0.128 115.896 115.700 0.113 0.000 2.536 634 S HA 0.443 4.891 4.470 -0.037 0.000 0.287 634 S C -1.042 173.603 174.600 0.075 0.000 1.101 634 S CA -0.744 57.544 58.200 0.147 0.000 0.950 634 S CB 2.223 65.607 63.200 0.307 0.000 1.056 634 S HN 0.206 nan 8.310 nan 0.000 0.481 635 V N 3.125 123.072 119.914 0.055 0.000 2.394 635 V HA 0.437 4.534 4.120 -0.037 0.000 0.282 635 V C -0.345 175.738 176.094 -0.018 0.000 1.031 635 V CA -0.555 61.745 62.300 0.001 0.000 0.881 635 V CB 1.558 33.392 31.823 0.018 0.000 0.982 635 V HN 0.698 nan 8.190 nan 0.000 0.451 636 V N 6.517 126.339 119.914 -0.153 0.000 2.427 636 V HA 0.470 4.567 4.120 -0.037 0.000 0.286 636 V C -0.030 175.971 176.094 -0.156 0.000 1.034 636 V CA -0.486 61.694 62.300 -0.200 0.000 0.893 636 V CB 1.640 33.102 31.823 -0.603 0.000 0.982 636 V HN 0.649 nan 8.190 nan 0.000 0.452 637 I N 5.481 126.023 120.570 -0.047 0.000 2.304 637 I HA 0.456 4.604 4.170 -0.037 0.000 0.291 637 I C 0.397 176.382 176.117 -0.221 0.000 1.018 637 I CA -0.237 61.011 61.300 -0.087 0.000 1.260 637 I CB 0.842 38.863 38.000 0.035 0.000 1.390 637 I HN 0.399 nan 8.210 nan 0.000 0.475 638 R N 5.900 126.300 120.500 -0.166 0.000 2.396 638 R HA 0.261 4.578 4.340 -0.037 0.000 0.292 638 R C -0.588 175.675 176.300 -0.063 0.000 1.240 638 R CA -0.453 55.589 56.100 -0.096 0.000 1.270 638 R CB 0.698 31.021 30.300 0.038 0.000 1.108 638 R HN 0.764 nan 8.270 nan 0.000 0.573 639 T N 0.037 114.500 114.554 -0.151 0.000 2.913 639 T HA 0.439 4.766 4.350 -0.037 0.000 0.297 639 T C -0.151 174.638 174.700 0.148 0.000 1.029 639 T CA -0.274 61.811 62.100 -0.025 0.000 1.104 639 T CB 0.870 69.715 68.868 -0.040 0.000 0.964 639 T HN 0.292 nan 8.240 nan 0.000 0.532 640 F N 1.810 121.725 119.950 -0.058 0.000 2.574 640 F HA 0.655 5.158 4.527 -0.040 0.000 0.313 640 F C -1.379 174.367 175.800 -0.089 0.000 1.130 640 F CA -1.817 56.154 58.000 -0.048 0.000 0.936 640 F CB 1.542 40.548 39.000 0.010 0.000 1.219 640 F HN 0.606 nan 8.300 nan 0.000 0.445 641 I N 4.599 124.800 120.570 -0.614 0.000 2.436 641 I HA 0.580 4.727 4.170 -0.037 0.000 0.289 641 I C -0.423 175.251 176.117 -0.739 0.000 1.010 641 I CA -0.404 60.598 61.300 -0.497 0.000 1.098 641 I CB 2.217 40.051 38.000 -0.277 0.000 1.266 641 I HN 0.588 nan 8.210 nan 0.000 0.434 642 T N 2.179 116.372 114.554 -0.600 0.000 2.840 642 T HA 0.303 4.630 4.350 -0.037 0.000 0.317 642 T C 0.298 174.767 174.700 -0.385 0.000 1.401 642 T CA -0.337 61.415 62.100 -0.580 0.000 1.028 642 T CB 1.717 70.100 68.868 -0.809 0.000 1.317 642 T HN 0.526 nan 8.240 nan 0.000 0.495 643 S N 1.182 116.730 115.700 -0.254 0.000 2.412 643 S HA 0.065 4.513 4.470 -0.037 0.000 0.223 643 S C 0.992 175.544 174.600 -0.080 0.000 1.048 643 S CA 1.072 59.191 58.200 -0.133 0.000 0.954 643 S CB -0.098 63.058 63.200 -0.073 0.000 0.840 643 S HN 0.908 nan 8.310 nan 0.000 0.503 644 D N -1.075 119.292 120.400 -0.054 0.000 2.500 644 D HA 0.223 4.841 4.640 -0.037 0.000 0.217 644 D C 0.109 176.562 176.300 0.255 0.000 1.159 644 D CA -0.379 53.681 54.000 0.100 0.000 0.828 644 D CB -0.506 40.339 40.800 0.075 0.000 1.039 644 D HN 0.194 nan 8.370 nan 0.000 0.512 645 F N -0.745 119.278 119.950 0.123 0.000 2.914 645 F HA -0.308 4.196 4.527 -0.038 0.000 0.304 645 F C 1.401 177.288 175.800 0.144 0.000 0.712 645 F CA 0.870 58.988 58.000 0.198 0.000 1.211 645 F CB -1.943 37.147 39.000 0.151 0.000 1.515 645 F HN 0.032 nan 8.300 nan 0.000 0.350 646 M N -1.039 118.685 119.600 0.207 0.000 2.325 646 M HA 0.077 4.534 4.480 -0.037 0.000 0.265 646 M C 1.199 177.569 176.300 0.117 0.000 1.094 646 M CA 1.713 57.094 55.300 0.135 0.000 1.161 646 M CB 0.191 32.840 32.600 0.083 0.000 1.358 646 M HN 0.258 nan 8.290 nan 0.000 0.446 647 T N -2.066 112.539 114.554 0.085 0.000 2.916 647 T HA 0.869 5.196 4.350 -0.037 0.000 0.292 647 T C -0.223 174.472 174.700 -0.008 0.000 1.064 647 T CA -0.476 61.662 62.100 0.063 0.000 1.011 647 T CB 2.265 71.135 68.868 0.004 0.000 1.152 647 T HN 0.328 nan 8.240 nan 0.000 0.510 648 G N 0.193 108.954 108.800 -0.064 0.000 2.356 648 G HA2 0.544 4.482 3.960 -0.037 0.000 0.294 648 G HA3 0.544 4.482 3.960 -0.037 0.000 0.294 648 G C -1.664 173.033 174.900 -0.337 0.000 1.423 648 G CA -0.553 44.256 45.100 -0.485 0.000 0.806 648 G HN 1.395 nan 8.290 nan 0.000 0.527 649 I N -1.986 118.282 120.570 -0.503 0.000 2.828 649 I HA 0.793 4.941 4.170 -0.037 0.000 0.302 649 I C -2.667 173.362 176.117 -0.146 0.000 1.101 649 I CA -2.903 58.284 61.300 -0.188 0.000 1.031 649 I CB 2.861 40.783 38.000 -0.129 0.000 1.231 649 I HN 0.379 nan 8.210 nan 0.000 0.427 650 P HA 0.176 nan 4.420 nan 0.000 0.274 650 P C -0.642 176.676 177.300 0.030 0.000 1.256 650 P CA -0.281 62.862 63.100 0.072 0.000 0.795 650 P CB 0.669 32.441 31.700 0.119 0.000 1.038 651 A N 0.948 123.802 122.820 0.056 0.000 2.362 651 A HA 0.369 4.666 4.320 -0.037 0.000 0.276 651 A C 0.298 177.930 177.584 0.079 0.000 1.153 651 A CA -0.086 51.977 52.037 0.045 0.000 0.813 651 A CB -0.734 18.289 19.000 0.038 0.000 1.081 651 A HN 0.441 nan 8.150 nan 0.000 0.507 652 T N 6.039 120.592 114.554 -0.001 0.000 2.779 652 T HA 0.375 4.702 4.350 -0.037 0.000 0.296 652 T C -2.479 172.062 174.700 -0.265 0.000 0.938 652 T CA -0.514 61.543 62.100 -0.072 0.000 1.119 652 T CB 0.398 69.264 68.868 -0.003 0.000 0.891 652 T HN 0.450 nan 8.240 nan 0.000 0.526 653 P HA 0.271 nan 4.420 nan 0.000 0.268 653 P C 1.094 178.074 177.300 -0.533 0.000 1.204 653 P CA 0.504 63.122 63.100 -0.802 0.000 0.768 653 P CB 0.501 31.220 31.700 -1.635 0.000 0.842 654 G N 1.845 110.453 108.800 -0.319 0.000 2.234 654 G HA2 -0.271 3.667 3.960 -0.037 0.000 0.235 654 G HA3 -0.271 3.667 3.960 -0.037 0.000 0.235 654 G C 0.990 175.832 174.900 -0.098 0.000 0.997 654 G CA 0.432 45.443 45.100 -0.148 0.000 0.623 654 G HN 0.596 nan 8.290 nan 0.000 0.514 655 N N 0.367 118.999 118.700 -0.114 0.000 2.683 655 N HA 0.141 4.859 4.740 -0.037 0.000 0.220 655 N C 1.762 177.245 175.510 -0.045 0.000 1.163 655 N CA 1.292 54.309 53.050 -0.056 0.000 1.149 655 N CB -0.099 38.366 38.487 -0.037 0.000 1.495 655 N HN 0.216 nan 8.380 nan 0.000 0.550 656 E N 0.161 120.335 120.200 -0.044 0.000 2.285 656 E HA 0.248 4.575 4.350 -0.037 0.000 0.194 656 E C 0.166 176.758 176.600 -0.014 0.000 0.997 656 E CA 0.341 56.742 56.400 0.001 0.000 0.845 656 E CB 0.913 30.614 29.700 0.001 0.000 0.782 656 E HN 0.367 nan 8.360 nan 0.000 0.491 657 I N 0.389 120.866 120.570 -0.154 0.000 2.619 657 I HA 0.324 4.472 4.170 -0.037 0.000 0.292 657 I C -2.788 173.073 176.117 -0.427 0.000 1.100 657 I CA -3.100 58.000 61.300 -0.334 0.000 1.043 657 I CB 2.314 40.194 38.000 -0.199 0.000 1.239 657 I HN -0.231 nan 8.210 nan 0.000 0.420 658 P HA 0.127 nan 4.420 nan 0.000 0.275 658 P C 0.822 177.931 177.300 -0.317 0.000 1.227 658 P CA -0.321 62.537 63.100 -0.404 0.000 0.781 658 P CB 1.102 32.551 31.700 -0.418 0.000 0.906 659 V N 2.975 122.741 119.914 -0.247 0.000 2.278 659 V HA -0.306 3.792 4.120 -0.037 0.000 0.251 659 V C 2.256 178.265 176.094 -0.142 0.000 1.062 659 V CA 2.423 64.602 62.300 -0.202 0.000 1.038 659 V CB -1.137 30.654 31.823 -0.053 0.000 0.646 659 V HN 0.733 nan 8.190 nan 0.000 0.447 660 E N 0.197 120.329 120.200 -0.112 0.000 2.070 660 E HA -0.237 4.090 4.350 -0.037 0.000 0.197 660 E C 2.142 178.680 176.600 -0.104 0.000 1.004 660 E CA 2.232 58.583 56.400 -0.083 0.000 0.805 660 E CB -0.182 29.481 29.700 -0.062 0.000 0.744 660 E HN 0.410 nan 8.360 nan 0.000 0.451 661 V N 0.806 120.635 119.914 -0.142 0.000 2.252 661 V HA -0.298 3.799 4.120 -0.037 0.000 0.249 661 V C 2.547 178.562 176.094 -0.131 0.000 1.056 661 V CA 1.776 63.996 62.300 -0.133 0.000 1.022 661 V CB -0.584 31.133 31.823 -0.177 0.000 0.641 661 V HN 0.247 nan 8.190 nan 0.000 0.445 662 V N -0.288 119.527 119.914 -0.165 0.000 2.255 662 V HA -0.283 3.814 4.120 -0.037 0.000 0.247 662 V C 2.347 178.323 176.094 -0.196 0.000 1.051 662 V CA 2.213 64.417 62.300 -0.159 0.000 1.018 662 V CB -0.595 31.078 31.823 -0.251 0.000 0.641 662 V HN 0.446 nan 8.190 nan 0.000 0.445 663 L N -0.362 120.759 121.223 -0.172 0.000 2.079 663 L HA -0.242 4.076 4.340 -0.037 0.000 0.210 663 L C 2.609 179.384 176.870 -0.158 0.000 1.081 663 L CA 1.877 56.608 54.840 -0.182 0.000 0.752 663 L CB -0.634 41.386 42.059 -0.066 0.000 0.896 663 L HN 0.344 nan 8.230 nan 0.000 0.433 664 K N 0.156 120.488 120.400 -0.113 0.000 2.097 664 K HA -0.176 4.121 4.320 -0.037 0.000 0.206 664 K C 2.195 178.738 176.600 -0.095 0.000 1.049 664 K CA 1.270 57.505 56.287 -0.087 0.000 0.933 664 K CB 0.005 32.466 32.500 -0.065 0.000 0.717 664 K HN 0.239 nan 8.250 nan 0.000 0.442 665 M N 0.136 119.668 119.600 -0.113 0.000 2.080 665 M HA -0.193 4.265 4.480 -0.037 0.000 0.260 665 M C 2.147 178.374 176.300 -0.122 0.000 1.068 665 M CA 1.445 56.684 55.300 -0.102 0.000 1.109 665 M CB -0.301 32.245 32.600 -0.091 0.000 1.342 665 M HN -0.026 nan 8.290 nan 0.000 0.405 666 V N -0.001 119.783 119.914 -0.218 0.000 2.295 666 V HA -0.249 3.848 4.120 -0.037 0.000 0.246 666 V C 2.374 178.383 176.094 -0.141 0.000 1.049 666 V CA 2.334 64.473 62.300 -0.268 0.000 1.024 666 V CB -1.171 30.292 31.823 -0.600 0.000 0.648 666 V HN 0.500 nan 8.190 nan 0.000 0.447 667 T N -0.405 114.077 114.554 -0.119 0.000 2.665 667 T HA -0.208 4.119 4.350 -0.037 0.000 0.268 667 T C 1.909 176.587 174.700 -0.037 0.000 1.035 667 T CA 1.713 63.776 62.100 -0.061 0.000 1.151 667 T CB -0.246 68.592 68.868 -0.051 0.000 0.862 667 T HN 0.469 nan 8.240 nan 0.000 0.438 668 E N 0.651 120.828 120.200 -0.038 0.000 2.046 668 E HA 0.053 4.381 4.350 -0.037 0.000 0.190 668 E C 2.309 178.909 176.600 -0.000 0.000 0.982 668 E CA 0.703 57.095 56.400 -0.014 0.000 0.800 668 E CB -0.391 29.302 29.700 -0.013 0.000 0.756 668 E HN 0.520 nan 8.360 nan 0.000 0.449 669 I N 1.235 121.800 120.570 -0.008 0.000 2.394 669 I HA -0.210 3.938 4.170 -0.037 0.000 0.251 669 I C 2.426 178.550 176.117 0.012 0.000 1.136 669 I CA 0.794 62.100 61.300 0.010 0.000 1.425 669 I CB -0.192 37.812 38.000 0.007 0.000 1.079 669 I HN -0.068 nan 8.210 nan 0.000 0.425 670 K N 1.768 122.168 120.400 0.001 0.000 2.103 670 K HA -0.182 4.115 4.320 -0.037 0.000 0.207 670 K C 1.925 178.533 176.600 0.014 0.000 1.048 670 K CA 1.585 57.879 56.287 0.010 0.000 0.930 670 K CB -0.164 32.340 32.500 0.006 0.000 0.716 670 K HN 0.330 nan 8.250 nan 0.000 0.444 671 K N 0.194 120.602 120.400 0.013 0.000 2.103 671 K HA -0.067 4.231 4.320 -0.037 0.000 0.207 671 K C 0.848 177.459 176.600 0.019 0.000 1.048 671 K CA 0.557 56.854 56.287 0.016 0.000 0.930 671 K CB -0.266 32.245 32.500 0.017 0.000 0.716 671 K HN 0.116 nan 8.250 nan 0.000 0.444 672 I N 3.255 123.839 120.570 0.023 0.000 2.906 672 I HA -0.083 4.065 4.170 -0.037 0.000 0.301 672 I C -2.179 173.947 176.117 0.015 0.000 1.221 672 I CA -1.448 59.867 61.300 0.025 0.000 1.435 672 I CB -0.071 37.948 38.000 0.033 0.000 1.345 672 I HN -0.096 nan 8.210 nan 0.000 0.558 673 P HA 0.067 nan 4.420 nan 0.000 0.264 673 P C 0.722 178.019 177.300 -0.004 0.000 1.193 673 P CA 0.514 63.617 63.100 0.004 0.000 0.763 673 P CB 0.708 32.411 31.700 0.006 0.000 0.810 674 G N 2.561 111.349 108.800 -0.020 0.000 2.176 674 G HA2 -0.175 3.762 3.960 -0.037 0.000 0.232 674 G HA3 -0.175 3.762 3.960 -0.037 0.000 0.232 674 G C -0.015 174.854 174.900 -0.052 0.000 0.986 674 G CA -0.563 44.512 45.100 -0.042 0.000 0.643 674 G HN 0.451 nan 8.290 nan 0.000 0.522 675 I N 2.100 122.655 120.570 -0.026 0.000 2.304 675 I HA 0.437 4.585 4.170 -0.037 0.000 0.291 675 I C 1.372 177.489 176.117 0.000 0.000 1.018 675 I CA 0.449 61.748 61.300 -0.003 0.000 1.260 675 I CB 0.850 38.862 38.000 0.020 0.000 1.390 675 I HN 0.139 nan 8.210 nan 0.000 0.475 676 S N 7.340 123.055 115.700 0.024 0.000 2.310 676 S HA 0.194 4.642 4.470 -0.037 0.000 0.201 676 S C 0.991 175.674 174.600 0.139 0.000 1.032 676 S CA 0.678 58.941 58.200 0.105 0.000 0.993 676 S CB 0.405 63.740 63.200 0.226 0.000 0.970 676 S HN 0.572 nan 8.310 nan 0.000 0.446 677 R N 0.531 121.140 120.500 0.181 0.000 2.832 677 R HA 0.523 4.841 4.340 -0.037 0.000 0.271 677 R C -0.676 175.676 176.300 0.086 0.000 0.996 677 R CA -0.709 55.426 56.100 0.060 0.000 0.977 677 R CB 0.868 31.048 30.300 -0.201 0.000 1.168 677 R HN 0.397 nan 8.270 nan 0.000 0.482 678 I N 2.052 122.689 120.570 0.111 0.000 2.498 678 I HA 0.475 4.623 4.170 -0.037 0.000 0.301 678 I C 0.396 176.711 176.117 0.330 0.000 0.984 678 I CA -0.604 60.808 61.300 0.186 0.000 1.204 678 I CB 1.118 39.200 38.000 0.136 0.000 1.362 678 I HN 0.411 nan 8.210 nan 0.000 0.471 679 M N 4.682 124.470 119.600 0.314 0.000 2.619 679 M HA 0.401 4.859 4.480 -0.037 0.000 0.297 679 M C -1.563 175.002 176.300 0.441 0.000 1.229 679 M CA -0.758 54.725 55.300 0.305 0.000 0.860 679 M CB 3.174 35.877 32.600 0.172 0.000 1.741 679 M HN 0.400 nan 8.290 nan 0.000 0.462 680 Y N 0.793 121.274 120.300 0.301 0.000 2.331 680 Y HA 0.314 4.840 4.550 -0.039 0.000 0.334 680 Y C -0.790 175.282 175.900 0.287 0.000 0.960 680 Y CA -0.715 57.586 58.100 0.335 0.000 1.130 680 Y CB 1.038 39.760 38.460 0.437 0.000 1.164 680 Y HN 0.560 nan 8.280 nan 0.000 0.458 681 D N 5.532 125.934 120.400 0.004 0.000 2.343 681 D HA 0.130 4.747 4.640 -0.037 0.000 0.255 681 D C 0.178 176.548 176.300 0.117 0.000 1.187 681 D CA 0.442 54.539 54.000 0.161 0.000 0.875 681 D CB 1.031 41.995 40.800 0.272 0.000 1.136 681 D HN 0.792 nan 8.370 nan 0.000 0.469 682 L N 2.560 123.913 121.223 0.217 0.000 2.640 682 L HA 0.127 4.445 4.340 -0.037 0.000 0.230 682 L C 0.779 177.732 176.870 0.138 0.000 1.123 682 L CA 0.028 55.005 54.840 0.228 0.000 0.900 682 L CB 0.210 42.415 42.059 0.244 0.000 1.146 682 L HN 0.251 nan 8.230 nan 0.000 0.484 683 T N -0.234 114.383 114.554 0.105 0.000 2.884 683 T HA 0.232 4.560 4.350 -0.037 0.000 0.298 683 T C 0.567 175.326 174.700 0.098 0.000 0.998 683 T CA -0.155 61.982 62.100 0.060 0.000 1.124 683 T CB 1.532 70.398 68.868 -0.002 0.000 0.931 683 T HN -0.009 nan 8.240 nan 0.000 0.531 684 S N 1.756 117.501 115.700 0.075 0.000 2.652 684 S HA 0.347 4.795 4.470 -0.037 0.000 0.270 684 S C 0.204 174.875 174.600 0.118 0.000 1.243 684 S CA -0.835 57.428 58.200 0.104 0.000 0.999 684 S CB 0.738 63.964 63.200 0.044 0.000 0.973 684 S HN 0.643 nan 8.310 nan 0.000 0.544 685 K N 2.572 123.089 120.400 0.195 0.000 2.293 685 K HA 0.380 4.678 4.320 -0.037 0.000 0.267 685 K C -2.578 174.070 176.600 0.080 0.000 1.010 685 K CA -2.102 54.274 56.287 0.148 0.000 0.875 685 K CB 0.816 33.485 32.500 0.282 0.000 1.106 685 K HN 0.283 nan 8.250 nan 0.000 0.450 686 P HA 0.175 nan 4.420 nan 0.000 0.277 686 P C -2.336 174.953 177.300 -0.018 0.000 1.271 686 P CA -1.293 61.801 63.100 -0.010 0.000 0.795 686 P CB 0.628 32.307 31.700 -0.036 0.000 1.101 687 P HA 0.050 nan 4.420 nan 0.000 0.240 687 P C 1.005 178.244 177.300 -0.102 0.000 1.190 687 P CA 0.535 63.587 63.100 -0.080 0.000 0.781 687 P CB -0.148 31.500 31.700 -0.088 0.000 0.931 688 G N 0.664 109.417 108.800 -0.079 0.000 2.716 688 G HA2 0.354 4.292 3.960 -0.037 0.000 0.251 688 G HA3 0.354 4.292 3.960 -0.037 0.000 0.251 688 G C -0.082 174.742 174.900 -0.127 0.000 1.224 688 G CA 0.256 45.283 45.100 -0.122 0.000 0.891 688 G HN 0.294 nan 8.290 nan 0.000 0.561 689 T N -3.822 110.614 114.554 -0.196 0.000 2.907 689 T HA 0.499 4.826 4.350 -0.037 0.000 0.290 689 T C 1.320 175.813 174.700 -0.345 0.000 1.066 689 T CA 0.075 62.046 62.100 -0.214 0.000 1.012 689 T CB 1.399 70.153 68.868 -0.190 0.000 1.184 689 T HN 0.295 nan 8.240 nan 0.000 0.522 690 T N 0.777 115.014 114.554 -0.530 0.000 2.652 690 T HA -0.040 4.288 4.350 -0.037 0.000 0.267 690 T C 0.790 175.352 174.700 -0.231 0.000 1.039 690 T CA 1.277 62.952 62.100 -0.710 0.000 1.153 690 T CB -0.264 68.289 68.868 -0.525 0.000 0.863 690 T HN 0.586 nan 8.240 nan 0.000 0.428 691 E N -0.555 119.571 120.200 -0.123 0.000 2.312 691 E HA 0.113 4.441 4.350 -0.037 0.000 0.259 691 E C 0.185 176.872 176.600 0.145 0.000 1.122 691 E CA -0.410 56.004 56.400 0.023 0.000 0.922 691 E CB 0.551 30.230 29.700 -0.036 0.000 1.109 691 E HN 0.372 nan 8.360 nan 0.000 0.442 692 W N 0.514 121.756 121.300 -0.096 0.000 3.114 692 W HA 0.122 4.762 4.660 -0.033 0.000 0.279 692 W C 0.608 177.097 176.519 -0.051 0.000 1.277 692 W CA 0.100 57.403 57.345 -0.070 0.000 1.630 692 W CB 0.696 30.136 29.460 -0.033 0.000 1.087 692 W HN 0.434 nan 8.180 nan 0.000 0.637 693 E N 0.000 120.287 120.200 0.145 0.000 2.725 693 E HA 0.000 4.328 4.350 -0.037 0.000 0.291 693 E CA 0.000 56.487 56.400 0.145 0.000 0.976 693 E CB 0.000 29.797 29.700 0.162 0.000 0.812 693 E HN 0.000 nan 8.360 nan 0.000 0.440