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 3eh2_1_B DATA FIRST_RESID 15 DATA SEQUENCE TEPFVTGVRG QVPPLVTTNF LVKDQGNASP RYIRCTSYNI PCTSDMAKQA DATA SEQUENCE QVPLAAVIKP LARLPPEEAS PYVVDHGESG PLRCNRCKAY MCPFMQFIEG DATA SEQUENCE GRRFQCCFCS CINDVPPQYF QHLDHTGKRV DAYDRPELSL GSYEFLATVD DATA SEQUENCE YCKNNKFPSP PAFIFMIDVS YNAIRTGLVR LLCEELKSLL DFLPREGGAE DATA SEQUENCE ESAIRVGFVT YNKVLHFYNX XXXXXXXQMM VVSDVADMFV PLLDGFLVNV DATA SEQUENCE NESRAVITSL LDQIPEMFAD TRETETVFVP VIQAGMEALK AAECAGKLFL DATA SEQUENCE FHTSLPIAEA PGKLKNRDDR KLINTDKEKT LFQPQTGAYQ TLAKECVAQG DATA SEQUENCE CCVDLFLFPN QYVDVATLSV VPQLTGGSVY KYASFQVEND QERFLSDLRR DATA SEQUENCE DVQKVVGFDA VMRVRTSTGI RAVDFFGAFY MSNTTDVELA GLDGDKTVTV DATA SEQUENCE EFKHDDRLNE ESGALLQCAL LYTSCAGQRR LRIHNLALNC CTQLADLYRN DATA SEQUENCE CETDTLINYM AKFAYRGVLN SPVKAVRDTL ITQCAQILAC YRKNCXXXXX DATA SEQUENCE XGQLILPECM KLLPVYLNCV LKSDVLQPGA EVTTDDRAYV RQLVTSMDVT DATA SEQUENCE ETNVFFYPRL LPLTKSPVES TTEPPAVRAS EERLSNGDIY LLENGLNLFL DATA SEQUENCE WVGASVQQGV VQSLFSVSSF SQITSGLSVL PVLDNPLSKK VRGLIDSLRA DATA SEQUENCE QRSRYMKLTV VKQEDKMEML FKHFLVEDKS LSGGASYVDF LCHMHKEIRQ DATA SEQUENCE LLS 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 15 T HA 0.000 nan 4.350 nan 0.000 0.228 15 T C 0.000 174.771 174.700 0.119 0.000 1.109 15 T CA 0.000 62.169 62.100 0.115 0.000 1.349 15 T CB 0.000 68.920 68.868 0.087 0.000 0.612 16 E N 2.870 123.120 120.200 0.084 0.000 2.534 16 E HA 0.143 4.487 4.350 -0.009 0.000 0.264 16 E C -2.476 174.191 176.600 0.113 0.000 0.981 16 E CA -0.928 55.518 56.400 0.078 0.000 0.948 16 E CB 0.098 29.830 29.700 0.052 0.000 0.934 16 E HN 0.161 nan 8.360 nan 0.000 0.459 17 P HA -0.151 nan 4.420 nan 0.000 0.263 17 P C -0.947 176.442 177.300 0.147 0.000 1.168 17 P CA 0.609 63.790 63.100 0.134 0.000 0.759 17 P CB 0.212 31.959 31.700 0.078 0.000 0.782 18 F N 5.025 125.001 119.950 0.044 0.000 2.334 18 F HA 0.341 4.862 4.527 -0.009 0.000 0.367 18 F C -0.648 175.160 175.800 0.013 0.000 1.115 18 F CA -0.774 57.208 58.000 -0.030 0.000 1.116 18 F CB 0.527 39.440 39.000 -0.144 0.000 1.230 18 F HN -0.039 nan 8.300 nan 0.000 0.484 19 V N 5.365 124.954 119.914 -0.542 0.000 2.407 19 V HA 0.161 4.276 4.120 -0.009 0.000 0.278 19 V C 0.813 176.526 176.094 -0.635 0.000 1.037 19 V CA -0.213 61.837 62.300 -0.417 0.000 0.900 19 V CB 1.406 33.096 31.823 -0.222 0.000 0.983 19 V HN 0.812 nan 8.190 nan 0.000 0.459 20 T N 0.713 115.046 114.554 -0.368 0.000 3.393 20 T HA 0.118 4.463 4.350 -0.009 0.000 0.248 20 T C 1.487 176.136 174.700 -0.085 0.000 0.992 20 T CA 0.316 62.284 62.100 -0.220 0.000 0.929 20 T CB 0.054 68.931 68.868 0.016 0.000 1.065 20 T HN 0.729 nan 8.240 nan 0.000 0.597 21 G N 1.425 110.150 108.800 -0.125 0.000 2.404 21 G HA2 0.116 4.070 3.960 -0.009 0.000 0.213 21 G HA3 0.116 4.070 3.960 -0.009 0.000 0.213 21 G C 0.532 175.427 174.900 -0.009 0.000 1.189 21 G CA 0.006 45.073 45.100 -0.055 0.000 0.796 21 G HN 0.548 nan 8.290 nan 0.000 0.532 22 V N 1.168 121.058 119.914 -0.040 0.000 2.901 22 V HA 0.096 4.211 4.120 -0.009 0.000 0.307 22 V C 1.672 177.799 176.094 0.056 0.000 1.084 22 V CA -0.076 62.224 62.300 0.001 0.000 1.184 22 V CB 1.091 32.900 31.823 -0.024 0.000 0.941 22 V HN 0.486 nan 8.190 nan 0.000 0.493 23 R N 2.915 123.458 120.500 0.071 0.000 2.009 23 R HA -0.036 4.298 4.340 -0.009 0.000 0.146 23 R C 1.407 177.769 176.300 0.102 0.000 0.735 23 R CA 1.422 57.572 56.100 0.083 0.000 1.462 23 R CB -0.823 29.505 30.300 0.048 0.000 0.579 23 R HN 0.925 nan 8.270 nan 0.000 0.633 24 G N 1.339 110.197 108.800 0.096 0.000 3.197 24 G HA2 -0.013 3.942 3.960 -0.009 0.000 0.257 24 G HA3 -0.013 3.942 3.960 -0.009 0.000 0.257 24 G C -0.562 174.436 174.900 0.163 0.000 0.835 24 G CA -0.217 44.991 45.100 0.179 0.000 2.001 24 G HN 0.441 nan 8.290 nan 0.000 0.625 25 Q N 1.240 121.115 119.800 0.126 0.000 2.296 25 Q HA 0.341 4.675 4.340 -0.009 0.000 0.257 25 Q C -0.306 175.562 176.000 -0.219 0.000 0.942 25 Q CA -0.596 55.219 55.803 0.020 0.000 0.939 25 Q CB 1.296 30.073 28.738 0.065 0.000 1.198 25 Q HN 0.114 nan 8.270 nan 0.000 0.429 26 V N 7.815 127.476 119.914 -0.422 0.000 2.521 26 V HA 0.192 4.307 4.120 -0.009 0.000 0.286 26 V C -1.636 174.153 176.094 -0.509 0.000 1.034 26 V CA -0.944 60.868 62.300 -0.814 0.000 1.045 26 V CB 0.405 31.940 31.823 -0.481 0.000 0.974 26 V HN 0.827 nan 8.190 nan 0.000 0.480 27 P HA 0.409 nan 4.420 nan 0.000 0.278 27 P C -2.752 174.090 177.300 -0.763 0.000 1.266 27 P CA -1.882 60.608 63.100 -1.017 0.000 0.807 27 P CB 0.289 31.477 31.700 -0.854 0.000 1.094 28 P HA 0.086 nan 4.420 nan 0.000 0.271 28 P C 0.051 177.167 177.300 -0.307 0.000 1.233 28 P CA -0.142 62.580 63.100 -0.630 0.000 0.789 28 P CB 0.151 31.279 31.700 -0.954 0.000 0.951 29 L N 1.153 122.300 121.223 -0.127 0.000 2.479 29 L HA -0.040 4.295 4.340 -0.009 0.000 0.270 29 L C 1.876 178.798 176.870 0.087 0.000 1.236 29 L CA 0.348 55.177 54.840 -0.017 0.000 0.823 29 L CB -0.265 41.796 42.059 0.002 0.000 1.098 29 L HN 0.292 nan 8.230 nan 0.000 0.500 30 V N -1.351 118.608 119.914 0.075 0.000 3.041 30 V HA -0.100 4.014 4.120 -0.009 0.000 0.260 30 V C 1.780 177.913 176.094 0.064 0.000 1.105 30 V CA 1.284 63.635 62.300 0.086 0.000 1.125 30 V CB -1.141 30.706 31.823 0.041 0.000 0.730 30 V HN 0.966 nan 8.190 nan 0.000 0.479 31 T N -2.515 112.074 114.554 0.058 0.000 3.148 31 T HA 0.114 4.459 4.350 -0.009 0.000 0.253 31 T C 0.729 175.465 174.700 0.060 0.000 1.134 31 T CA 0.575 62.703 62.100 0.047 0.000 1.051 31 T CB -0.615 68.277 68.868 0.040 0.000 0.959 31 T HN 0.509 nan 8.240 nan 0.000 0.525 32 T N 3.024 117.643 114.554 0.108 0.000 2.794 32 T HA 0.335 4.680 4.350 -0.009 0.000 0.280 32 T C -0.240 174.569 174.700 0.181 0.000 0.987 32 T CA -0.689 61.502 62.100 0.151 0.000 0.993 32 T CB 1.024 70.001 68.868 0.180 0.000 0.939 32 T HN 0.319 nan 8.240 nan 0.000 0.449 33 N N 2.845 121.602 118.700 0.096 0.000 2.444 33 N HA 0.562 5.297 4.740 -0.009 0.000 0.271 33 N C -0.927 174.645 175.510 0.103 0.000 1.069 33 N CA -0.331 52.713 53.050 -0.010 0.000 0.965 33 N CB 0.640 39.116 38.487 -0.018 0.000 1.092 33 N HN 0.552 nan 8.380 nan 0.000 0.476 34 F N 0.233 120.178 119.950 -0.007 0.000 2.713 34 F HA 0.571 5.093 4.527 -0.009 0.000 0.311 34 F C -2.049 173.765 175.800 0.023 0.000 1.141 34 F CA -1.248 56.758 58.000 0.011 0.000 0.939 34 F CB 0.692 39.694 39.000 0.004 0.000 1.325 34 F HN 0.055 nan 8.300 nan 0.000 0.453 35 L N 2.086 123.472 121.223 0.272 0.000 2.330 35 L HA 0.837 5.172 4.340 -0.009 0.000 0.271 35 L C -0.666 176.413 176.870 0.348 0.000 1.013 35 L CA -0.962 53.984 54.840 0.177 0.000 0.816 35 L CB 2.052 44.177 42.059 0.109 0.000 1.287 35 L HN 0.661 nan 8.230 nan 0.000 0.435 36 V N 2.272 122.343 119.914 0.262 0.000 2.715 36 V HA 0.546 4.660 4.120 -0.009 0.000 0.310 36 V C -0.469 175.726 176.094 0.168 0.000 1.054 36 V CA -0.982 61.497 62.300 0.299 0.000 0.928 36 V CB 2.025 34.051 31.823 0.340 0.000 1.007 36 V HN 0.585 nan 8.190 nan 0.000 0.437 37 K N 2.463 122.939 120.400 0.126 0.000 2.502 37 K HA 0.296 4.611 4.320 -0.009 0.000 0.254 37 K C 0.139 176.771 176.600 0.053 0.000 0.947 37 K CA -0.635 55.695 56.287 0.071 0.000 0.834 37 K CB 1.927 34.449 32.500 0.035 0.000 1.112 37 K HN 0.749 nan 8.250 nan 0.000 0.427 38 D N 2.048 122.495 120.400 0.079 0.000 2.144 38 D HA -0.260 4.375 4.640 -0.009 0.000 0.247 38 D C 0.704 177.021 176.300 0.029 0.000 1.166 38 D CA 1.844 55.896 54.000 0.086 0.000 1.014 38 D CB 0.306 41.172 40.800 0.111 0.000 1.532 38 D HN 0.792 nan 8.370 nan 0.000 0.551 39 Q N -1.390 118.416 119.800 0.009 0.000 2.406 39 Q HA -0.262 4.072 4.340 -0.009 0.000 0.236 39 Q C 0.434 176.414 176.000 -0.034 0.000 0.799 39 Q CA 1.475 57.261 55.803 -0.029 0.000 1.286 39 Q CB -1.354 27.359 28.738 -0.042 0.000 1.615 39 Q HN 0.580 nan 8.270 nan 0.000 0.621 40 G N -1.084 107.719 108.800 0.005 0.000 4.328 40 G HA2 0.044 3.998 3.960 -0.009 0.000 0.133 40 G HA3 0.044 3.998 3.960 -0.009 0.000 0.133 40 G C -0.424 174.547 174.900 0.118 0.000 1.397 40 G CA 0.034 45.139 45.100 0.010 0.000 1.001 40 G HN 0.268 nan 8.290 nan 0.000 0.325 41 N N 0.559 119.365 118.700 0.176 0.000 2.471 41 N HA 0.591 5.325 4.740 -0.009 0.000 0.288 41 N C -0.149 175.513 175.510 0.253 0.000 1.220 41 N CA -0.291 52.919 53.050 0.265 0.000 0.893 41 N CB 2.258 40.907 38.487 0.271 0.000 1.256 41 N HN 0.542 nan 8.380 nan 0.000 0.534 42 A N 0.963 123.952 122.820 0.281 0.000 2.540 42 A HA 0.098 4.413 4.320 -0.009 0.000 0.239 42 A C 0.737 178.514 177.584 0.323 0.000 1.061 42 A CA 0.052 52.285 52.037 0.326 0.000 0.758 42 A CB 0.005 19.182 19.000 0.295 0.000 0.991 42 A HN 0.593 nan 8.150 nan 0.000 0.502 43 S N 2.772 118.682 115.700 0.351 0.000 2.569 43 S HA 0.173 4.637 4.470 -0.009 0.000 0.274 43 S C -1.506 173.222 174.600 0.214 0.000 1.353 43 S CA -0.400 57.956 58.200 0.260 0.000 1.023 43 S CB 0.248 63.516 63.200 0.113 0.000 0.876 43 S HN 0.474 nan 8.310 nan 0.000 0.540 44 P HA 0.045 nan 4.420 nan 0.000 0.226 44 P C 0.969 178.317 177.300 0.080 0.000 1.153 44 P CA 0.792 63.990 63.100 0.163 0.000 0.777 44 P CB 0.055 31.824 31.700 0.115 0.000 0.794 45 R N -1.938 118.549 120.500 -0.021 0.000 2.189 45 R HA -0.050 4.285 4.340 -0.009 0.000 0.218 45 R C 1.679 177.869 176.300 -0.182 0.000 1.074 45 R CA 1.155 57.159 56.100 -0.159 0.000 0.991 45 R CB -0.449 29.660 30.300 -0.318 0.000 0.883 45 R HN 0.381 nan 8.270 nan 0.000 0.457 46 Y N -0.166 120.097 120.300 -0.062 0.000 2.396 46 Y HA 0.269 4.813 4.550 -0.009 0.000 0.292 46 Y C 0.988 176.798 175.900 -0.150 0.000 1.128 46 Y CA -0.132 57.834 58.100 -0.224 0.000 1.194 46 Y CB 0.828 38.963 38.460 -0.541 0.000 1.124 46 Y HN -0.164 nan 8.280 nan 0.000 0.543 47 I N 0.324 120.963 120.570 0.114 0.000 2.656 47 I HA 0.411 4.575 4.170 -0.009 0.000 0.292 47 I C -0.972 175.220 176.117 0.126 0.000 1.144 47 I CA -0.834 60.526 61.300 0.100 0.000 1.038 47 I CB 2.565 40.624 38.000 0.098 0.000 1.244 47 I HN -0.124 nan 8.210 nan 0.000 0.420 48 R N 3.686 124.248 120.500 0.103 0.000 2.574 48 R HA 0.689 5.023 4.340 -0.009 0.000 0.288 48 R C -1.514 174.808 176.300 0.036 0.000 1.004 48 R CA -0.467 55.714 56.100 0.135 0.000 0.895 48 R CB 2.338 32.715 30.300 0.130 0.000 1.191 48 R HN 0.645 nan 8.270 nan 0.000 0.444 49 C N 0.608 119.844 119.300 -0.106 0.000 2.486 49 C HA 0.331 4.786 4.460 -0.009 0.000 0.348 49 C C 2.073 176.991 174.990 -0.121 0.000 1.203 49 C CA -0.563 58.295 59.018 -0.268 0.000 1.911 49 C CB 1.789 29.124 27.740 -0.674 0.000 2.340 49 C HN 0.960 nan 8.230 nan 0.000 0.511 50 T N -1.402 113.090 114.554 -0.104 0.000 2.985 50 T HA 0.040 4.385 4.350 -0.009 0.000 0.266 50 T C 0.467 175.158 174.700 -0.014 0.000 1.076 50 T CA 0.989 63.067 62.100 -0.036 0.000 1.135 50 T CB -0.187 68.625 68.868 -0.094 0.000 0.890 50 T HN 0.937 nan 8.240 nan 0.000 0.480 51 S N -0.308 115.334 115.700 -0.096 0.000 2.603 51 S HA 0.494 4.959 4.470 -0.009 0.000 0.274 51 S C -0.756 173.769 174.600 -0.125 0.000 1.168 51 S CA -0.971 57.218 58.200 -0.019 0.000 0.963 51 S CB 0.859 64.021 63.200 -0.063 0.000 1.078 51 S HN 0.100 nan 8.310 nan 0.000 0.477 52 Y N 1.729 122.009 120.300 -0.034 0.000 2.466 52 Y HA 0.437 4.981 4.550 -0.009 0.000 0.272 52 Y C 1.145 177.024 175.900 -0.036 0.000 1.169 52 Y CA -0.382 57.701 58.100 -0.027 0.000 1.285 52 Y CB 0.331 38.789 38.460 -0.003 0.000 1.078 52 Y HN 0.679 nan 8.280 nan 0.000 0.523 53 N N 1.097 119.837 118.700 0.066 0.000 2.762 53 N HA 0.149 4.884 4.740 -0.009 0.000 0.252 53 N C -1.117 174.382 175.510 -0.020 0.000 1.269 53 N CA -0.104 52.959 53.050 0.022 0.000 0.799 53 N CB 0.341 38.849 38.487 0.035 0.000 1.173 53 N HN -0.093 nan 8.380 nan 0.000 0.516 54 I N 3.060 123.606 120.570 -0.041 0.000 2.752 54 I HA 0.100 4.264 4.170 -0.009 0.000 0.287 54 I C -1.737 174.387 176.117 0.011 0.000 1.188 54 I CA -1.554 59.727 61.300 -0.032 0.000 1.427 54 I CB 0.020 37.980 38.000 -0.067 0.000 1.365 54 I HN 0.233 nan 8.210 nan 0.000 0.585 55 P HA 0.134 nan 4.420 nan 0.000 0.280 55 P C 0.497 177.842 177.300 0.075 0.000 1.244 55 P CA -0.287 62.818 63.100 0.009 0.000 0.784 55 P CB 0.952 32.622 31.700 -0.050 0.000 0.913 56 C N 1.763 121.075 119.300 0.020 0.000 2.425 56 C HA -0.039 4.416 4.460 -0.009 0.000 0.277 56 C C 1.613 176.579 174.990 -0.041 0.000 1.280 56 C CA 1.706 60.750 59.018 0.043 0.000 1.744 56 C CB -1.152 26.593 27.740 0.008 0.000 1.989 56 C HN 0.690 nan 8.230 nan 0.000 0.491 57 T N -3.479 110.940 114.554 -0.225 0.000 2.932 57 T HA 0.374 4.719 4.350 -0.009 0.000 0.289 57 T C 0.746 175.072 174.700 -0.622 0.000 1.039 57 T CA 0.125 62.025 62.100 -0.334 0.000 1.024 57 T CB 1.569 70.344 68.868 -0.154 0.000 1.090 57 T HN 0.034 nan 8.240 nan 0.000 0.496 58 S N 0.238 115.652 115.700 -0.477 0.000 2.368 58 S HA -0.134 4.331 4.470 -0.009 0.000 0.225 58 S C 1.412 175.897 174.600 -0.191 0.000 1.030 58 S CA 1.570 59.569 58.200 -0.335 0.000 0.999 58 S CB -0.858 62.285 63.200 -0.095 0.000 0.844 58 S HN 0.746 nan 8.310 nan 0.000 0.459 59 D N 0.973 121.292 120.400 -0.135 0.000 2.218 59 D HA -0.105 4.529 4.640 -0.009 0.000 0.204 59 D C 1.828 178.078 176.300 -0.084 0.000 0.976 59 D CA 1.039 54.989 54.000 -0.082 0.000 0.853 59 D CB -0.305 40.461 40.800 -0.057 0.000 0.939 59 D HN 0.520 nan 8.370 nan 0.000 0.481 60 M N 0.679 120.207 119.600 -0.119 0.000 2.156 60 M HA -0.075 4.399 4.480 -0.009 0.000 0.264 60 M C 2.098 178.342 176.300 -0.093 0.000 1.067 60 M CA 1.389 56.634 55.300 -0.093 0.000 1.131 60 M CB 0.105 32.643 32.600 -0.103 0.000 1.368 60 M HN -0.048 nan 8.290 nan 0.000 0.416 61 A N 0.737 123.471 122.820 -0.143 0.000 1.978 61 A HA -0.183 4.132 4.320 -0.009 0.000 0.220 61 A C 2.002 179.553 177.584 -0.056 0.000 1.170 61 A CA 1.862 53.840 52.037 -0.097 0.000 0.636 61 A CB -0.587 18.360 19.000 -0.090 0.000 0.810 61 A HN 0.632 nan 8.150 nan 0.000 0.448 62 K N -0.763 119.607 120.400 -0.051 0.000 2.296 62 K HA -0.030 4.284 4.320 -0.009 0.000 0.200 62 K C 2.133 178.727 176.600 -0.010 0.000 1.048 62 K CA 0.729 57.001 56.287 -0.024 0.000 0.966 62 K CB -0.008 32.479 32.500 -0.022 0.000 0.754 62 K HN 0.464 nan 8.250 nan 0.000 0.466 63 Q N 0.413 120.206 119.800 -0.011 0.000 1.969 63 Q HA -0.063 4.272 4.340 -0.009 0.000 0.198 63 Q C 2.296 178.327 176.000 0.052 0.000 0.978 63 Q CA 1.645 57.459 55.803 0.017 0.000 0.830 63 Q CB -0.321 28.427 28.738 0.016 0.000 0.896 63 Q HN 0.292 nan 8.270 nan 0.000 0.431 64 A N 0.365 123.209 122.820 0.039 0.000 2.015 64 A HA -0.136 4.178 4.320 -0.009 0.000 0.219 64 A C 0.926 178.539 177.584 0.048 0.000 1.163 64 A CA 0.862 52.940 52.037 0.069 0.000 0.646 64 A CB -0.039 18.871 19.000 -0.150 0.000 0.806 64 A HN 0.402 nan 8.150 nan 0.000 0.448 65 Q N -1.858 117.942 119.800 0.000 0.000 2.480 65 Q HA -0.152 4.182 4.340 -0.009 0.000 0.265 65 Q C -0.506 175.477 176.000 -0.029 0.000 1.072 65 Q CA 0.968 56.767 55.803 -0.007 0.000 1.018 65 Q CB -2.374 26.374 28.738 0.017 0.000 1.433 65 Q HN 0.426 nan 8.270 nan 0.000 0.513 66 V N 2.936 122.809 119.914 -0.069 0.000 2.353 66 V HA 0.204 4.318 4.120 -0.009 0.000 0.264 66 V C -1.342 174.682 176.094 -0.117 0.000 1.049 66 V CA -0.948 61.295 62.300 -0.096 0.000 0.896 66 V CB 0.886 32.605 31.823 -0.172 0.000 1.025 66 V HN 0.071 nan 8.190 nan 0.000 0.475 67 P HA 0.081 nan 4.420 nan 0.000 0.265 67 P C -1.062 176.060 177.300 -0.298 0.000 1.193 67 P CA -0.129 62.812 63.100 -0.265 0.000 0.765 67 P CB 0.860 32.319 31.700 -0.402 0.000 0.823 68 L N 2.854 123.930 121.223 -0.244 0.000 2.265 68 L HA 0.683 5.017 4.340 -0.009 0.000 0.289 68 L C 0.598 177.368 176.870 -0.167 0.000 1.033 68 L CA -0.540 54.206 54.840 -0.156 0.000 0.814 68 L CB 0.222 42.251 42.059 -0.049 0.000 1.203 68 L HN 0.504 nan 8.230 nan 0.000 0.423 69 A N 2.878 125.588 122.820 -0.183 0.000 2.587 69 A HA 0.953 5.267 4.320 -0.009 0.000 0.293 69 A C -1.078 176.503 177.584 -0.006 0.000 1.087 69 A CA -0.433 51.513 52.037 -0.152 0.000 0.692 69 A CB 1.956 20.715 19.000 -0.402 0.000 1.291 69 A HN 0.728 nan 8.150 nan 0.000 0.407 70 A N 0.448 123.304 122.820 0.059 0.000 2.343 70 A HA 0.667 4.981 4.320 -0.009 0.000 0.316 70 A C -1.026 176.608 177.584 0.083 0.000 1.104 70 A CA -0.451 51.646 52.037 0.100 0.000 0.768 70 A CB 1.183 20.325 19.000 0.236 0.000 1.213 70 A HN 1.300 nan 8.150 nan 0.000 0.456 71 V N 4.291 124.254 119.914 0.081 0.000 2.328 71 V HA 0.356 4.471 4.120 -0.009 0.000 0.278 71 V C -0.331 175.814 176.094 0.085 0.000 1.021 71 V CA 0.023 62.377 62.300 0.091 0.000 0.838 71 V CB 0.622 32.493 31.823 0.080 0.000 0.999 71 V HN 0.716 nan 8.190 nan 0.000 0.447 72 I N 4.970 125.594 120.570 0.090 0.000 2.404 72 I HA 0.467 4.631 4.170 -0.009 0.000 0.293 72 I C 0.261 176.419 176.117 0.069 0.000 0.992 72 I CA -0.487 60.858 61.300 0.075 0.000 1.149 72 I CB 1.798 39.847 38.000 0.082 0.000 1.315 72 I HN 0.397 nan 8.210 nan 0.000 0.446 73 K N 7.385 127.823 120.400 0.063 0.000 2.533 73 K HA 0.313 4.627 4.320 -0.009 0.000 0.207 73 K C -2.002 174.666 176.600 0.113 0.000 1.052 73 K CA -1.646 54.688 56.287 0.078 0.000 1.030 73 K CB 1.152 33.692 32.500 0.067 0.000 1.522 73 K HN 0.229 nan 8.250 nan 0.000 0.543 74 P HA -0.207 nan 4.420 nan 0.000 0.217 74 P C 0.370 177.734 177.300 0.106 0.000 1.158 74 P CA 1.364 64.504 63.100 0.066 0.000 0.887 74 P CB 0.258 31.972 31.700 0.023 0.000 0.792 75 L N -2.617 118.652 121.223 0.077 0.000 3.017 75 L HA 0.369 4.703 4.340 -0.009 0.000 0.255 75 L C 0.592 177.559 176.870 0.163 0.000 1.247 75 L CA -0.962 53.929 54.840 0.085 0.000 1.038 75 L CB -0.423 41.604 42.059 -0.054 0.000 1.380 75 L HN -0.140 nan 8.230 nan 0.000 0.548 76 A N 1.046 124.011 122.820 0.243 0.000 2.603 76 A HA 0.034 4.349 4.320 -0.009 0.000 0.235 76 A C 0.532 178.153 177.584 0.062 0.000 1.035 76 A CA 0.381 52.481 52.037 0.104 0.000 0.755 76 A CB -0.008 18.980 19.000 -0.022 0.000 0.954 76 A HN 0.479 nan 8.150 nan 0.000 0.511 77 R N 0.995 121.503 120.500 0.014 0.000 2.490 77 R HA 0.499 4.834 4.340 -0.009 0.000 0.280 77 R C -0.585 175.690 176.300 -0.042 0.000 1.077 77 R CA -0.102 56.005 56.100 0.011 0.000 1.065 77 R CB 0.433 30.740 30.300 0.012 0.000 1.003 77 R HN 0.661 nan 8.270 nan 0.000 0.470 78 L N 3.116 124.324 121.223 -0.024 0.000 2.333 78 L HA 0.523 4.857 4.340 -0.009 0.000 0.269 78 L C -2.142 174.710 176.870 -0.030 0.000 1.010 78 L CA -2.569 52.238 54.840 -0.054 0.000 0.818 78 L CB 1.718 43.759 42.059 -0.030 0.000 1.306 78 L HN 0.326 nan 8.230 nan 0.000 0.430 79 P HA 0.165 nan 4.420 nan 0.000 0.271 79 P C -2.129 175.169 177.300 -0.003 0.000 1.216 79 P CA -1.095 61.986 63.100 -0.033 0.000 0.776 79 P CB 0.241 31.908 31.700 -0.056 0.000 0.881 80 P HA -0.222 nan 4.420 nan 0.000 0.218 80 P C 0.550 177.867 177.300 0.028 0.000 1.147 80 P CA 1.484 64.597 63.100 0.021 0.000 0.827 80 P CB -0.008 31.703 31.700 0.019 0.000 0.778 81 E N -1.076 119.136 120.200 0.021 0.000 2.502 81 E HA 0.005 4.349 4.350 -0.009 0.000 0.194 81 E C 0.263 176.889 176.600 0.042 0.000 1.062 81 E CA 0.427 56.845 56.400 0.031 0.000 0.867 81 E CB -0.244 29.471 29.700 0.024 0.000 0.888 81 E HN 0.440 nan 8.360 nan 0.000 0.510 82 E N 0.484 120.708 120.200 0.041 0.000 2.166 82 E HA 0.502 4.847 4.350 -0.009 0.000 0.275 82 E C -0.860 175.791 176.600 0.085 0.000 0.941 82 E CA -0.800 55.634 56.400 0.057 0.000 0.784 82 E CB 1.549 31.268 29.700 0.033 0.000 1.115 82 E HN 0.123 nan 8.360 nan 0.000 0.399 83 A N 2.773 125.662 122.820 0.115 0.000 2.492 83 A HA 0.191 4.505 4.320 -0.009 0.000 0.254 83 A C 0.162 177.864 177.584 0.197 0.000 1.091 83 A CA -0.146 51.989 52.037 0.165 0.000 0.768 83 A CB 0.228 19.342 19.000 0.190 0.000 1.028 83 A HN 0.559 nan 8.150 nan 0.000 0.498 84 S N 2.865 118.682 115.700 0.196 0.000 2.600 84 S HA 0.382 4.847 4.470 -0.009 0.000 0.265 84 S C -2.242 172.521 174.600 0.272 0.000 1.325 84 S CA -0.588 57.740 58.200 0.213 0.000 1.002 84 S CB -0.042 63.247 63.200 0.149 0.000 0.921 84 S HN 0.647 nan 8.310 nan 0.000 0.554 85 P HA 0.136 nan 4.420 nan 0.000 0.267 85 P C -0.896 176.550 177.300 0.245 0.000 1.205 85 P CA 0.095 63.331 63.100 0.227 0.000 0.765 85 P CB 0.130 31.884 31.700 0.091 0.000 0.828 86 Y N 1.498 121.837 120.300 0.066 0.000 2.326 86 Y HA 0.177 4.721 4.550 -0.009 0.000 0.333 86 Y C 0.705 176.612 175.900 0.012 0.000 1.240 86 Y CA -0.226 57.900 58.100 0.043 0.000 1.365 86 Y CB 0.636 39.120 38.460 0.040 0.000 1.289 86 Y HN 0.055 nan 8.280 nan 0.000 0.548 87 V N 4.900 124.852 119.914 0.062 0.000 2.333 87 V HA 0.276 4.390 4.120 -0.009 0.000 0.274 87 V C -0.226 175.913 176.094 0.076 0.000 1.028 87 V CA -0.792 61.527 62.300 0.033 0.000 0.851 87 V CB 0.750 32.572 31.823 -0.001 0.000 1.000 87 V HN 0.478 nan 8.190 nan 0.000 0.456 88 V N 3.614 123.572 119.914 0.073 0.000 2.863 88 V HA 0.450 4.564 4.120 -0.009 0.000 0.307 88 V C -0.038 176.221 176.094 0.275 0.000 1.061 88 V CA -0.451 61.965 62.300 0.193 0.000 1.024 88 V CB 1.955 33.908 31.823 0.217 0.000 1.049 88 V HN 0.879 nan 8.190 nan 0.000 0.471 89 D N 0.621 121.203 120.400 0.304 0.000 2.375 89 D HA 0.244 4.879 4.640 -0.009 0.000 0.259 89 D C 0.102 176.592 176.300 0.317 0.000 1.235 89 D CA -0.411 53.741 54.000 0.254 0.000 0.924 89 D CB 0.588 41.482 40.800 0.157 0.000 1.143 89 D HN 0.560 nan 8.370 nan 0.000 0.529 90 H N 1.940 121.066 119.070 0.094 0.000 2.562 90 H HA 0.291 4.841 4.556 -0.009 0.000 0.274 90 H C 1.442 176.779 175.328 0.016 0.000 1.038 90 H CA 0.960 57.006 56.048 -0.003 0.000 1.161 90 H CB -0.143 29.513 29.762 -0.176 0.000 1.318 90 H HN 0.717 nan 8.280 nan 0.000 0.617 91 G N 0.276 109.170 108.800 0.155 0.000 2.632 91 G HA2 -0.278 3.676 3.960 -0.009 0.000 0.224 91 G HA3 -0.278 3.676 3.960 -0.009 0.000 0.224 91 G C 0.937 175.903 174.900 0.109 0.000 1.341 91 G CA 0.003 45.169 45.100 0.111 0.000 0.880 91 G HN 0.408 nan 8.290 nan 0.000 0.566 92 E N -0.185 120.070 120.200 0.092 0.000 2.268 92 E HA -0.012 4.332 4.350 -0.009 0.000 0.195 92 E C 2.609 179.259 176.600 0.082 0.000 0.995 92 E CA 1.081 57.536 56.400 0.092 0.000 0.836 92 E CB -0.076 29.669 29.700 0.074 0.000 0.763 92 E HN 0.473 nan 8.360 nan 0.000 0.491 93 S N 0.130 115.873 115.700 0.071 0.000 2.474 93 S HA 0.025 4.489 4.470 -0.009 0.000 0.235 93 S C 0.914 175.557 174.600 0.071 0.000 0.997 93 S CA 0.793 59.027 58.200 0.057 0.000 0.949 93 S CB -0.417 62.809 63.200 0.043 0.000 0.766 93 S HN 0.429 nan 8.310 nan 0.000 0.517 94 G N 1.284 110.143 108.800 0.098 0.000 2.733 94 G HA2 -0.152 3.803 3.960 -0.009 0.000 0.686 94 G HA3 -0.152 3.803 3.960 -0.009 0.000 0.686 94 G C -2.908 172.007 174.900 0.025 0.000 1.373 94 G CA -0.516 44.653 45.100 0.114 0.000 0.838 94 G HN 0.349 nan 8.290 nan 0.000 0.588 95 P HA 0.236 nan 4.420 nan 0.000 0.262 95 P C 0.291 177.429 177.300 -0.269 0.000 1.182 95 P CA -0.208 62.509 63.100 -0.639 0.000 0.761 95 P CB 0.918 31.834 31.700 -1.307 0.000 0.795 96 L N 5.520 126.713 121.223 -0.050 0.000 2.499 96 L HA 0.111 4.446 4.340 -0.009 0.000 0.273 96 L C 0.531 177.368 176.870 -0.055 0.000 1.195 96 L CA 0.765 55.598 54.840 -0.013 0.000 0.882 96 L CB -0.398 41.643 42.059 -0.030 0.000 1.133 96 L HN 0.411 nan 8.230 nan 0.000 0.483 97 R N 3.389 123.877 120.500 -0.020 0.000 2.808 97 R HA 0.442 4.776 4.340 -0.009 0.000 0.272 97 R C -1.178 175.177 176.300 0.091 0.000 0.995 97 R CA -0.884 55.178 56.100 -0.064 0.000 0.917 97 R CB 1.151 31.273 30.300 -0.296 0.000 1.217 97 R HN 0.738 nan 8.270 nan 0.000 0.471 98 C N 1.459 120.827 119.300 0.115 0.000 2.653 98 C HA 0.050 4.504 4.460 -0.009 0.000 0.421 98 C C 1.658 176.663 174.990 0.024 0.000 1.334 98 C CA 0.052 59.164 59.018 0.157 0.000 1.885 98 C CB -0.560 27.281 27.740 0.168 0.000 2.645 98 C HN 0.923 nan 8.230 nan 0.000 0.601 99 N N 2.312 121.007 118.700 -0.007 0.000 2.459 99 N HA -0.045 4.689 4.740 -0.009 0.000 0.181 99 N C 1.958 177.447 175.510 -0.034 0.000 1.046 99 N CA 1.251 54.279 53.050 -0.035 0.000 0.904 99 N CB -0.143 38.312 38.487 -0.054 0.000 0.964 99 N HN 0.852 nan 8.380 nan 0.000 0.444 100 R N -0.943 119.545 120.500 -0.021 0.000 2.121 100 R HA 0.088 4.423 4.340 -0.009 0.000 0.206 100 R C 1.808 178.102 176.300 -0.010 0.000 1.094 100 R CA 1.197 57.289 56.100 -0.014 0.000 1.055 100 R CB -0.394 29.902 30.300 -0.005 0.000 0.964 100 R HN 0.442 nan 8.270 nan 0.000 0.473 101 C N -0.042 119.258 119.300 0.001 0.000 2.926 101 C HA 0.481 4.935 4.460 -0.009 0.000 0.272 101 C C 0.565 175.522 174.990 -0.055 0.000 1.249 101 C CA -0.384 58.628 59.018 -0.010 0.000 1.691 101 C CB 0.152 27.905 27.740 0.022 0.000 1.983 101 C HN 0.555 nan 8.230 nan 0.000 0.615 102 K N -0.108 120.250 120.400 -0.071 0.000 3.391 102 K HA -0.168 4.146 4.320 -0.009 0.000 0.307 102 K C 0.448 176.899 176.600 -0.250 0.000 1.304 102 K CA 0.646 56.844 56.287 -0.148 0.000 0.904 102 K CB -2.171 30.246 32.500 -0.137 0.000 1.293 102 K HN 0.844 nan 8.250 nan 0.000 0.470 103 A N 0.740 123.451 122.820 -0.182 0.000 2.462 103 A HA 0.361 4.676 4.320 -0.009 0.000 0.243 103 A C 0.022 177.527 177.584 -0.132 0.000 1.076 103 A CA -0.014 51.881 52.037 -0.237 0.000 0.773 103 A CB -0.025 18.701 19.000 -0.458 0.000 1.010 103 A HN 0.210 nan 8.150 nan 0.000 0.493 104 Y N 0.821 121.129 120.300 0.013 0.000 2.379 104 Y HA 0.269 4.813 4.550 -0.009 0.000 0.337 104 Y C 0.889 176.911 175.900 0.204 0.000 1.238 104 Y CA -0.177 57.996 58.100 0.123 0.000 1.405 104 Y CB 0.547 39.145 38.460 0.231 0.000 1.310 104 Y HN 0.705 nan 8.280 nan 0.000 0.569 105 M N 4.572 124.354 119.600 0.302 0.000 2.284 105 M HA 0.181 4.655 4.480 -0.009 0.000 0.351 105 M C -0.589 175.941 176.300 0.384 0.000 1.443 105 M CA -0.281 55.145 55.300 0.210 0.000 1.031 105 M CB -0.908 31.797 32.600 0.174 0.000 1.893 105 M HN 0.760 nan 8.290 nan 0.000 0.456 106 C N 4.433 123.923 119.300 0.317 0.000 3.285 106 C HA 0.709 5.163 4.460 -0.009 0.000 0.320 106 C C -1.970 173.134 174.990 0.190 0.000 1.411 106 C CA -1.302 57.942 59.018 0.376 0.000 1.429 106 C CB 0.978 29.052 27.740 0.555 0.000 1.812 106 C HN 0.715 nan 8.230 nan 0.000 0.454 107 P HA -0.034 nan 4.420 nan 0.000 0.221 107 P C 0.737 177.836 177.300 -0.335 0.000 1.145 107 P CA 1.472 64.444 63.100 -0.214 0.000 0.795 107 P CB -0.131 31.323 31.700 -0.409 0.000 0.775 108 F N -2.796 117.205 119.950 0.086 0.000 2.797 108 F HA 0.132 4.654 4.527 -0.009 0.000 0.302 108 F C 1.227 177.027 175.800 0.000 0.000 1.130 108 F CA 0.212 58.218 58.000 0.010 0.000 1.387 108 F CB -0.571 38.381 39.000 -0.080 0.000 1.107 108 F HN -0.141 nan 8.300 nan 0.000 0.577 109 M N 1.164 120.847 119.600 0.138 0.000 2.188 109 M HA 0.116 4.590 4.480 -0.009 0.000 0.354 109 M C 0.158 176.496 176.300 0.064 0.000 1.342 109 M CA 0.259 55.578 55.300 0.033 0.000 1.117 109 M CB 0.474 32.917 32.600 -0.262 0.000 1.670 109 M HN -0.001 nan 8.290 nan 0.000 0.466 110 Q N 3.263 123.110 119.800 0.078 0.000 2.406 110 Q HA 0.312 4.646 4.340 -0.009 0.000 0.242 110 Q C -1.093 174.979 176.000 0.121 0.000 1.036 110 Q CA -0.163 55.717 55.803 0.128 0.000 0.904 110 Q CB 0.228 29.026 28.738 0.101 0.000 1.244 110 Q HN 0.392 nan 8.270 nan 0.000 0.478 111 F N 3.717 123.731 119.950 0.107 0.000 2.471 111 F HA 0.234 4.756 4.527 -0.009 0.000 0.353 111 F C 1.130 176.982 175.800 0.087 0.000 1.113 111 F CA -0.105 57.972 58.000 0.128 0.000 1.262 111 F CB 0.367 39.393 39.000 0.043 0.000 1.146 111 F HN 0.368 nan 8.300 nan 0.000 0.578 112 I N -2.408 118.302 120.570 0.233 0.000 3.343 112 I HA 0.503 4.667 4.170 -0.009 0.000 0.315 112 I C -0.718 175.489 176.117 0.150 0.000 1.153 112 I CA -1.376 60.016 61.300 0.153 0.000 0.952 112 I CB 1.863 39.921 38.000 0.095 0.000 1.287 112 I HN 0.641 nan 8.210 nan 0.000 0.472 113 E N 1.526 121.797 120.200 0.117 0.000 2.210 113 E HA -0.224 4.121 4.350 -0.009 0.000 0.201 113 E C 0.947 177.643 176.600 0.160 0.000 1.339 113 E CA 0.627 57.098 56.400 0.119 0.000 0.699 113 E CB -1.886 27.875 29.700 0.101 0.000 1.126 113 E HN 1.357 nan 8.360 nan 0.000 0.355 114 G N -0.897 107.996 108.800 0.156 0.000 2.189 114 G HA2 -0.282 3.672 3.960 -0.009 0.000 0.267 114 G HA3 -0.282 3.672 3.960 -0.009 0.000 0.267 114 G C 0.915 175.902 174.900 0.145 0.000 0.975 114 G CA 0.829 46.042 45.100 0.187 0.000 0.644 114 G HN 1.662 nan 8.290 nan 0.000 0.537 115 G N -0.682 108.209 108.800 0.151 0.000 2.148 115 G HA2 -0.081 3.874 3.960 -0.009 0.000 0.203 115 G HA3 -0.081 3.874 3.960 -0.009 0.000 0.203 115 G C 0.839 175.858 174.900 0.197 0.000 0.993 115 G CA 1.022 46.149 45.100 0.046 0.000 0.661 115 G HN 1.665 nan 8.290 nan 0.000 0.518 116 R N -0.562 120.186 120.500 0.412 0.000 2.300 116 R HA 0.492 4.827 4.340 -0.009 0.000 0.199 116 R C 1.000 177.472 176.300 0.287 0.000 0.920 116 R CA 0.091 56.475 56.100 0.473 0.000 1.046 116 R CB 0.434 30.933 30.300 0.332 0.000 0.984 116 R HN 0.377 nan 8.270 nan 0.000 0.493 117 R N 0.170 120.815 120.500 0.241 0.000 2.810 117 R HA 0.464 4.798 4.340 -0.009 0.000 0.266 117 R C -1.631 174.736 176.300 0.113 0.000 1.061 117 R CA -0.889 55.268 56.100 0.096 0.000 0.943 117 R CB 1.826 32.129 30.300 0.005 0.000 1.237 117 R HN 0.085 nan 8.270 nan 0.000 0.459 118 F N -1.114 118.750 119.950 -0.143 0.000 2.650 118 F HA 0.358 4.880 4.527 -0.009 0.000 0.310 118 F C -1.363 174.329 175.800 -0.181 0.000 1.112 118 F CA -0.956 56.844 58.000 -0.333 0.000 0.986 118 F CB 1.548 40.003 39.000 -0.907 0.000 1.285 118 F HN 0.307 nan 8.300 nan 0.000 0.440 119 Q N 3.003 122.860 119.800 0.095 0.000 2.274 119 Q HA 0.416 4.751 4.340 -0.009 0.000 0.256 119 Q C -0.758 175.370 176.000 0.213 0.000 0.927 119 Q CA -0.732 55.110 55.803 0.066 0.000 0.939 119 Q CB 1.372 30.138 28.738 0.047 0.000 1.201 119 Q HN 1.044 nan 8.270 nan 0.000 0.426 120 C N 5.508 124.929 119.300 0.201 0.000 2.627 120 C HA 0.104 4.559 4.460 -0.009 0.000 0.404 120 C C 2.058 177.150 174.990 0.170 0.000 1.340 120 C CA -0.605 58.588 59.018 0.292 0.000 1.758 120 C CB -1.405 26.501 27.740 0.277 0.000 2.501 120 C HN 1.107 nan 8.230 nan 0.000 0.588 121 C N 3.763 123.126 119.300 0.105 0.000 2.432 121 C HA 0.011 4.466 4.460 -0.009 0.000 0.282 121 C C 1.951 176.820 174.990 -0.202 0.000 1.388 121 C CA 0.494 59.456 59.018 -0.094 0.000 1.777 121 C CB -1.998 25.616 27.740 -0.210 0.000 1.882 121 C HN 0.872 nan 8.230 nan 0.000 0.520 122 F N 1.591 121.579 119.950 0.064 0.000 2.219 122 F HA 0.050 4.571 4.527 -0.009 0.000 0.294 122 F C 2.576 178.390 175.800 0.023 0.000 1.086 122 F CA 1.418 59.438 58.000 0.033 0.000 1.330 122 F CB -0.419 38.611 39.000 0.049 0.000 1.047 122 F HN 0.477 nan 8.300 nan 0.000 0.495 123 C N -1.349 118.081 119.300 0.216 0.000 3.525 123 C HA 0.458 4.913 4.460 -0.009 0.000 0.289 123 C C 1.319 176.354 174.990 0.074 0.000 1.496 123 C CA -0.539 58.551 59.018 0.120 0.000 1.804 123 C CB -0.760 27.044 27.740 0.107 0.000 2.708 123 C HN 0.519 nan 8.230 nan 0.000 0.642 124 S N -1.067 114.677 115.700 0.073 0.000 3.587 124 S HA -0.271 4.193 4.470 -0.009 0.000 0.337 124 S C -0.005 174.608 174.600 0.022 0.000 1.119 124 S CA 0.609 58.835 58.200 0.042 0.000 0.976 124 S CB -3.175 60.040 63.200 0.025 0.000 0.922 124 S HN 1.870 nan 8.310 nan 0.000 0.503 125 C N 1.541 120.854 119.300 0.022 0.000 2.401 125 C HA 0.715 5.170 4.460 -0.009 0.000 0.365 125 C C 0.700 175.639 174.990 -0.086 0.000 1.250 125 C CA -1.084 57.920 59.018 -0.024 0.000 2.131 125 C CB -0.164 27.565 27.740 -0.019 0.000 2.445 125 C HN 0.619 nan 8.230 nan 0.000 0.550 126 I N 6.556 127.055 120.570 -0.118 0.000 2.325 126 I HA 0.287 4.452 4.170 -0.009 0.000 0.291 126 I C 0.357 176.290 176.117 -0.306 0.000 1.019 126 I CA 0.276 61.459 61.300 -0.195 0.000 1.302 126 I CB 0.268 38.197 38.000 -0.119 0.000 1.401 126 I HN 0.711 nan 8.210 nan 0.000 0.485 127 N N 5.318 123.655 118.700 -0.605 0.000 2.404 127 N HA 0.324 5.059 4.740 -0.009 0.000 0.297 127 N C -1.166 174.029 175.510 -0.525 0.000 1.163 127 N CA -0.727 51.903 53.050 -0.700 0.000 0.864 127 N CB 1.949 39.651 38.487 -1.308 0.000 1.247 127 N HN 0.472 nan 8.380 nan 0.000 0.510 128 D N 1.075 121.319 120.400 -0.260 0.000 2.274 128 D HA 0.174 4.809 4.640 -0.009 0.000 0.239 128 D C -0.266 176.082 176.300 0.080 0.000 1.104 128 D CA -0.254 53.707 54.000 -0.064 0.000 0.840 128 D CB 2.037 42.827 40.800 -0.016 0.000 1.100 128 D HN 0.077 nan 8.370 nan 0.000 0.477 129 V N 5.891 125.936 119.914 0.219 0.000 2.439 129 V HA 0.115 4.229 4.120 -0.009 0.000 0.271 129 V C -1.563 174.722 176.094 0.319 0.000 1.040 129 V CA -1.038 61.499 62.300 0.395 0.000 1.002 129 V CB 0.453 32.580 31.823 0.508 0.000 1.000 129 V HN 0.395 nan 8.190 nan 0.000 0.477 130 P HA 0.185 nan 4.420 nan 0.000 0.272 130 P C -2.053 175.388 177.300 0.235 0.000 1.223 130 P CA -1.605 61.615 63.100 0.199 0.000 0.784 130 P CB 0.587 32.377 31.700 0.151 0.000 0.923 131 P HA -0.134 nan 4.420 nan 0.000 0.222 131 P C 1.085 178.479 177.300 0.156 0.000 1.147 131 P CA 1.226 64.404 63.100 0.131 0.000 0.790 131 P CB 0.168 31.891 31.700 0.038 0.000 0.780 132 Q N -1.541 118.349 119.800 0.150 0.000 2.283 132 Q HA -0.032 4.303 4.340 -0.009 0.000 0.223 132 Q C 0.034 176.173 176.000 0.231 0.000 0.918 132 Q CA 0.197 56.085 55.803 0.141 0.000 0.952 132 Q CB -1.044 27.751 28.738 0.095 0.000 1.030 132 Q HN 0.230 nan 8.270 nan 0.000 0.452 133 Y N -2.208 118.130 120.300 0.063 0.000 3.116 133 Y HA 0.105 4.649 4.550 -0.009 0.000 0.333 133 Y C -1.045 174.896 175.900 0.068 0.000 0.935 133 Y CA -1.010 57.104 58.100 0.023 0.000 1.105 133 Y CB -0.551 37.896 38.460 -0.022 0.000 1.406 133 Y HN 0.127 nan 8.280 nan 0.000 0.544 134 F N 3.228 123.177 119.950 -0.002 0.000 2.518 134 F HA 0.459 4.980 4.527 -0.009 0.000 0.359 134 F C 0.062 175.743 175.800 -0.199 0.000 1.118 134 F CA 0.920 58.874 58.000 -0.078 0.000 1.287 134 F CB 0.651 39.624 39.000 -0.045 0.000 1.132 134 F HN 0.177 nan 8.300 nan 0.000 0.587 135 Q N 3.399 122.478 119.800 -1.202 0.000 2.472 135 Q HA 0.276 4.611 4.340 -0.009 0.000 0.281 135 Q C -1.313 174.042 176.000 -1.076 0.000 0.997 135 Q CA -0.743 54.546 55.803 -0.858 0.000 0.828 135 Q CB 1.162 29.562 28.738 -0.563 0.000 1.443 135 Q HN 0.692 nan 8.270 nan 0.000 0.390 136 H N 1.214 120.008 119.070 -0.459 0.000 2.671 136 H HA 0.334 4.884 4.556 -0.009 0.000 0.372 136 H C -0.492 174.683 175.328 -0.257 0.000 1.227 136 H CA 0.199 56.083 56.048 -0.274 0.000 1.426 136 H CB 0.695 30.420 29.762 -0.062 0.000 1.480 136 H HN 0.358 nan 8.280 nan 0.000 0.611 137 L N 1.617 122.838 121.223 -0.005 0.000 2.334 137 L HA 0.154 4.488 4.340 -0.009 0.000 0.273 137 L C 0.439 177.311 176.870 0.003 0.000 1.013 137 L CA -0.489 54.320 54.840 -0.052 0.000 0.816 137 L CB 1.446 43.490 42.059 -0.026 0.000 1.278 137 L HN 0.743 nan 8.230 nan 0.000 0.431 138 D N -0.710 119.676 120.400 -0.024 0.000 2.469 138 D HA 0.082 4.716 4.640 -0.009 0.000 0.278 138 D C 0.781 177.127 176.300 0.076 0.000 1.231 138 D CA -0.054 53.972 54.000 0.044 0.000 1.075 138 D CB 0.123 40.927 40.800 0.008 0.000 1.121 138 D HN 0.643 nan 8.370 nan 0.000 0.571 139 H N -2.001 117.057 119.070 -0.019 0.000 2.696 139 H HA 0.217 4.768 4.556 -0.009 0.000 0.288 139 H C -0.307 175.017 175.328 -0.007 0.000 1.096 139 H CA 0.248 56.292 56.048 -0.008 0.000 1.202 139 H CB -1.063 28.695 29.762 -0.007 0.000 1.279 139 H HN 0.387 nan 8.280 nan 0.000 0.630 140 T N -2.184 112.287 114.554 -0.138 0.000 3.055 140 T HA 0.257 4.601 4.350 -0.009 0.000 0.121 140 T C 1.117 175.764 174.700 -0.088 0.000 0.712 140 T CA 0.077 62.096 62.100 -0.134 0.000 0.799 140 T CB -0.612 68.115 68.868 -0.235 0.000 1.605 140 T HN 0.445 nan 8.240 nan 0.000 0.282 141 G N 1.045 109.769 108.800 -0.128 0.000 2.525 141 G HA2 0.478 4.433 3.960 -0.009 0.000 0.276 141 G HA3 0.478 4.433 3.960 -0.009 0.000 0.276 141 G C -0.389 174.408 174.900 -0.172 0.000 1.388 141 G CA -0.248 44.781 45.100 -0.118 0.000 1.050 141 G HN 0.569 nan 8.290 nan 0.000 0.520 142 K N -0.755 119.482 120.400 -0.272 0.000 2.218 142 K HA 0.198 4.512 4.320 -0.009 0.000 0.276 142 K C 1.464 177.869 176.600 -0.325 0.000 1.022 142 K CA -0.535 55.514 56.287 -0.396 0.000 0.946 142 K CB 0.918 32.995 32.500 -0.704 0.000 1.000 142 K HN 0.324 nan 8.250 nan 0.000 0.468 143 R N 2.002 122.340 120.500 -0.270 0.000 2.211 143 R HA -0.105 4.230 4.340 -0.009 0.000 0.240 143 R C 0.059 176.197 176.300 -0.271 0.000 1.144 143 R CA 1.330 57.312 56.100 -0.195 0.000 0.992 143 R CB -0.325 29.921 30.300 -0.090 0.000 0.869 143 R HN 0.429 nan 8.270 nan 0.000 0.462 144 V N -1.420 118.300 119.914 -0.324 0.000 2.347 144 V HA 0.405 4.519 4.120 -0.009 0.000 0.280 144 V C 0.108 175.988 176.094 -0.356 0.000 1.021 144 V CA -0.484 61.626 62.300 -0.317 0.000 0.847 144 V CB 1.686 33.357 31.823 -0.253 0.000 0.990 144 V HN 0.178 nan 8.190 nan 0.000 0.444 145 D N 4.624 124.782 120.400 -0.403 0.000 3.093 145 D HA 0.195 4.830 4.640 -0.009 0.000 0.206 145 D C 1.419 177.574 176.300 -0.241 0.000 1.512 145 D CA 0.847 54.657 54.000 -0.317 0.000 1.420 145 D CB 1.231 41.828 40.800 -0.339 0.000 1.166 145 D HN 0.619 nan 8.370 nan 0.000 0.285 146 A N -0.144 122.517 122.820 -0.266 0.000 2.348 146 A HA 0.192 4.506 4.320 -0.009 0.000 0.224 146 A C 0.575 178.219 177.584 0.100 0.000 1.227 146 A CA -0.349 51.630 52.037 -0.097 0.000 0.885 146 A CB -0.613 18.349 19.000 -0.063 0.000 0.933 146 A HN 0.426 nan 8.150 nan 0.000 0.506 147 Y N 1.092 121.345 120.300 -0.078 0.000 2.871 147 Y HA 0.158 4.703 4.550 -0.009 0.000 0.378 147 Y C -0.392 175.480 175.900 -0.047 0.000 1.069 147 Y CA -0.390 57.675 58.100 -0.058 0.000 1.662 147 Y CB -0.449 37.973 38.460 -0.063 0.000 1.561 147 Y HN 0.446 nan 8.280 nan 0.000 0.483 148 D N 0.806 121.266 120.400 0.100 0.000 2.862 148 D HA -0.120 4.515 4.640 -0.009 0.000 0.243 148 D C -0.732 175.593 176.300 0.041 0.000 1.049 148 D CA 0.133 54.173 54.000 0.067 0.000 0.789 148 D CB -0.739 40.115 40.800 0.090 0.000 1.055 148 D HN 0.243 nan 8.370 nan 0.000 0.433 149 R N -0.320 120.169 120.500 -0.018 0.000 2.754 149 R HA 0.222 4.557 4.340 -0.009 0.000 0.255 149 R C -2.181 174.053 176.300 -0.109 0.000 1.723 149 R CA -1.395 54.688 56.100 -0.029 0.000 1.596 149 R CB 0.805 31.063 30.300 -0.069 0.000 1.424 149 R HN 0.108 nan 8.270 nan 0.000 0.662 150 P HA -0.229 nan 4.420 nan 0.000 0.216 150 P C 1.229 178.223 177.300 -0.510 0.000 1.154 150 P CA 1.314 64.271 63.100 -0.239 0.000 0.865 150 P CB 0.366 31.984 31.700 -0.137 0.000 0.789 151 E N -0.113 119.655 120.200 -0.721 0.000 2.478 151 E HA -0.107 4.237 4.350 -0.009 0.000 0.198 151 E C 1.310 177.714 176.600 -0.327 0.000 1.046 151 E CA 0.917 56.666 56.400 -1.086 0.000 0.870 151 E CB -0.842 28.559 29.700 -0.498 0.000 0.818 151 E HN 0.330 nan 8.360 nan 0.000 0.527 152 L N 0.733 121.844 121.223 -0.187 0.000 2.766 152 L HA 0.187 4.522 4.340 -0.009 0.000 0.242 152 L C 1.416 178.198 176.870 -0.148 0.000 1.136 152 L CA 0.654 55.432 54.840 -0.103 0.000 0.933 152 L CB 0.309 42.306 42.059 -0.103 0.000 1.241 152 L HN 0.154 nan 8.230 nan 0.000 0.522 153 S N -2.025 113.584 115.700 -0.152 0.000 2.546 153 S HA 0.288 4.752 4.470 -0.009 0.000 0.282 153 S C 0.185 174.730 174.600 -0.091 0.000 1.074 153 S CA -0.445 57.668 58.200 -0.146 0.000 1.254 153 S CB 0.432 63.540 63.200 -0.153 0.000 1.103 153 S HN 0.048 nan 8.310 nan 0.000 0.589 154 L N 1.642 122.852 121.223 -0.022 0.000 2.331 154 L HA 0.703 5.037 4.340 -0.009 0.000 0.275 154 L C 1.625 178.648 176.870 0.255 0.000 1.022 154 L CA -0.536 54.361 54.840 0.096 0.000 0.812 154 L CB 1.318 43.443 42.059 0.112 0.000 1.257 154 L HN 0.299 nan 8.230 nan 0.000 0.435 155 G N 0.726 109.657 108.800 0.219 0.000 2.448 155 G HA2 -0.056 3.898 3.960 -0.009 0.000 0.218 155 G HA3 -0.056 3.898 3.960 -0.009 0.000 0.218 155 G C 0.474 175.447 174.900 0.122 0.000 1.135 155 G CA 0.272 45.521 45.100 0.249 0.000 0.784 155 G HN 0.495 nan 8.290 nan 0.000 0.543 156 S N -0.721 115.046 115.700 0.110 0.000 2.513 156 S HA 0.725 5.190 4.470 -0.009 0.000 0.299 156 S C -1.089 173.437 174.600 -0.123 0.000 1.087 156 S CA -0.597 57.496 58.200 -0.178 0.000 1.012 156 S CB 1.722 64.975 63.200 0.087 0.000 1.044 156 S HN 0.532 nan 8.310 nan 0.000 0.485 157 Y N -0.907 119.244 120.300 -0.247 0.000 2.851 157 Y HA 0.612 5.157 4.550 -0.009 0.000 0.359 157 Y C -1.249 174.407 175.900 -0.406 0.000 1.231 157 Y CA -1.246 56.706 58.100 -0.246 0.000 1.106 157 Y CB 0.439 38.751 38.460 -0.247 0.000 1.409 157 Y HN 0.503 nan 8.280 nan 0.000 0.454 158 E N 0.438 120.541 120.200 -0.162 0.000 2.339 158 E HA 0.693 5.037 4.350 -0.009 0.000 0.262 158 E C -1.957 174.415 176.600 -0.381 0.000 0.934 158 E CA -1.030 55.211 56.400 -0.265 0.000 0.802 158 E CB 2.713 32.357 29.700 -0.093 0.000 1.275 158 E HN 0.394 nan 8.360 nan 0.000 0.427 159 F N 0.622 120.532 119.950 -0.066 0.000 2.565 159 F HA 0.365 4.887 4.527 -0.009 0.000 0.313 159 F C -0.222 175.501 175.800 -0.128 0.000 1.091 159 F CA -0.782 57.156 58.000 -0.103 0.000 0.915 159 F CB 1.078 39.971 39.000 -0.179 0.000 1.208 159 F HN 0.172 nan 8.300 nan 0.000 0.453 160 L N 2.919 124.218 121.223 0.127 0.000 2.426 160 L HA 0.558 4.892 4.340 -0.009 0.000 0.271 160 L C 0.408 177.284 176.870 0.010 0.000 1.169 160 L CA -0.545 54.313 54.840 0.030 0.000 0.836 160 L CB 0.702 42.784 42.059 0.039 0.000 1.112 160 L HN 0.765 nan 8.230 nan 0.000 0.465 161 A N 1.996 124.802 122.820 -0.024 0.000 2.293 161 A HA 0.656 4.971 4.320 -0.009 0.000 0.302 161 A C 0.165 177.908 177.584 0.266 0.000 1.119 161 A CA -0.452 51.555 52.037 -0.050 0.000 0.823 161 A CB 0.859 19.779 19.000 -0.133 0.000 1.097 161 A HN 0.743 nan 8.150 nan 0.000 0.491 162 T N -1.252 113.536 114.554 0.390 0.000 2.912 162 T HA 0.414 4.758 4.350 -0.009 0.000 0.280 162 T C 1.352 176.151 174.700 0.165 0.000 0.989 162 T CA -0.037 62.278 62.100 0.358 0.000 0.995 162 T CB 0.708 69.741 68.868 0.274 0.000 1.077 162 T HN 1.408 nan 8.240 nan 0.000 0.531 163 V N -0.734 119.024 119.914 -0.261 0.000 2.453 163 V HA -0.172 3.942 4.120 -0.009 0.000 0.252 163 V C 1.850 177.827 176.094 -0.196 0.000 1.068 163 V CA 1.966 63.974 62.300 -0.486 0.000 1.070 163 V CB -1.474 29.993 31.823 -0.594 0.000 0.664 163 V HN 0.925 nan 8.190 nan 0.000 0.461 164 D N -1.213 119.107 120.400 -0.134 0.000 2.378 164 D HA -0.131 4.503 4.640 -0.009 0.000 0.227 164 D C 1.421 177.594 176.300 -0.212 0.000 1.012 164 D CA 0.718 54.610 54.000 -0.181 0.000 0.905 164 D CB -0.752 39.915 40.800 -0.223 0.000 0.895 164 D HN 0.601 nan 8.370 nan 0.000 0.532 165 Y N 0.040 120.321 120.300 -0.033 0.000 2.470 165 Y HA 0.254 4.799 4.550 -0.009 0.000 0.284 165 Y C 0.392 176.295 175.900 0.005 0.000 1.188 165 Y CA -0.546 57.561 58.100 0.011 0.000 1.269 165 Y CB 0.223 38.712 38.460 0.049 0.000 1.094 165 Y HN 0.015 nan 8.280 nan 0.000 0.518 166 C N -0.462 118.875 119.300 0.062 0.000 2.848 166 C HA 0.427 4.882 4.460 -0.009 0.000 0.317 166 C C -0.114 174.869 174.990 -0.011 0.000 1.260 166 C CA -1.851 57.186 59.018 0.031 0.000 1.656 166 C CB 1.795 29.528 27.740 -0.011 0.000 2.174 166 C HN 0.173 nan 8.230 nan 0.000 0.479 167 K N 1.118 121.520 120.400 0.003 0.000 2.270 167 K HA 0.200 4.514 4.320 -0.009 0.000 0.276 167 K C 0.313 176.897 176.600 -0.026 0.000 1.023 167 K CA 0.313 56.595 56.287 -0.008 0.000 0.955 167 K CB 0.092 32.597 32.500 0.008 0.000 0.975 167 K HN 0.791 nan 8.250 nan 0.000 0.471 168 N N 1.543 120.224 118.700 -0.031 0.000 2.725 168 N HA -0.264 4.470 4.740 -0.009 0.000 0.249 168 N C -0.792 174.682 175.510 -0.059 0.000 1.103 168 N CA 0.638 53.666 53.050 -0.036 0.000 0.707 168 N CB -1.455 37.018 38.487 -0.023 0.000 1.043 168 N HN 0.825 nan 8.380 nan 0.000 0.553 169 N N -0.408 118.244 118.700 -0.080 0.000 2.707 169 N HA -0.266 4.469 4.740 -0.009 0.000 0.253 169 N C -0.913 174.498 175.510 -0.166 0.000 0.998 169 N CA 1.822 54.797 53.050 -0.124 0.000 0.751 169 N CB -0.184 38.241 38.487 -0.103 0.000 0.920 169 N HN 0.651 nan 8.380 nan 0.000 0.539 170 K N 0.647 120.950 120.400 -0.162 0.000 2.501 170 K HA 0.304 4.618 4.320 -0.009 0.000 0.252 170 K C -0.791 175.734 176.600 -0.125 0.000 0.934 170 K CA -0.719 55.471 56.287 -0.162 0.000 0.797 170 K CB 0.598 33.067 32.500 -0.051 0.000 1.270 170 K HN -0.075 nan 8.250 nan 0.000 0.431 171 F N 4.148 124.108 119.950 0.017 0.000 2.572 171 F HA 0.114 4.636 4.527 -0.009 0.000 0.370 171 F C -1.285 174.517 175.800 0.003 0.000 1.103 171 F CA -1.003 57.004 58.000 0.013 0.000 1.286 171 F CB -0.013 38.991 39.000 0.008 0.000 1.105 171 F HN 0.420 nan 8.300 nan 0.000 0.583 172 P HA 0.152 nan 4.420 nan 0.000 0.274 172 P C -0.780 176.554 177.300 0.058 0.000 1.246 172 P CA -0.388 62.770 63.100 0.097 0.000 0.795 172 P CB 0.987 32.731 31.700 0.074 0.000 1.006 173 S N 1.113 116.822 115.700 0.016 0.000 2.672 173 S HA 0.433 4.897 4.470 -0.009 0.000 0.276 173 S C -2.137 172.422 174.600 -0.069 0.000 1.207 173 S CA -1.106 57.085 58.200 -0.015 0.000 1.002 173 S CB 0.125 63.318 63.200 -0.013 0.000 0.998 173 S HN 0.475 nan 8.310 nan 0.000 0.542 174 P HA 0.222 nan 4.420 nan 0.000 0.271 174 P C -2.569 174.599 177.300 -0.220 0.000 1.216 174 P CA -1.156 61.849 63.100 -0.158 0.000 0.776 174 P CB -0.383 31.241 31.700 -0.128 0.000 0.881 175 P HA 0.280 nan 4.420 nan 0.000 0.277 175 P C -0.896 176.238 177.300 -0.277 0.000 1.276 175 P CA -0.196 62.639 63.100 -0.442 0.000 0.788 175 P CB 0.658 31.683 31.700 -1.125 0.000 1.114 176 A N -0.234 122.523 122.820 -0.106 0.000 2.498 176 A HA 0.701 5.015 4.320 -0.009 0.000 0.298 176 A C -1.353 176.402 177.584 0.285 0.000 1.075 176 A CA -0.458 51.572 52.037 -0.012 0.000 0.714 176 A CB 0.975 19.974 19.000 -0.001 0.000 1.299 176 A HN 0.283 nan 8.150 nan 0.000 0.407 177 F N 0.723 120.696 119.950 0.040 0.000 2.458 177 F HA 0.638 5.159 4.527 -0.010 0.000 0.336 177 F C 0.014 175.733 175.800 -0.136 0.000 1.114 177 F CA -1.472 56.553 58.000 0.041 0.000 0.987 177 F CB 1.543 40.611 39.000 0.113 0.000 1.130 177 F HN 0.309 nan 8.300 nan 0.000 0.458 178 I N 4.211 124.775 120.570 -0.010 0.000 2.447 178 I HA 0.285 4.449 4.170 -0.009 0.000 0.287 178 I C -1.155 174.879 176.117 -0.139 0.000 1.023 178 I CA -0.568 60.692 61.300 -0.067 0.000 1.083 178 I CB 1.596 39.664 38.000 0.113 0.000 1.245 178 I HN 0.262 nan 8.210 nan 0.000 0.434 179 F N 6.471 126.492 119.950 0.118 0.000 2.411 179 F HA 0.486 5.009 4.527 -0.008 0.000 0.355 179 F C 0.324 176.320 175.800 0.325 0.000 1.117 179 F CA -0.423 57.753 58.000 0.294 0.000 1.139 179 F CB 0.971 40.083 39.000 0.186 0.000 1.120 179 F HN 0.178 nan 8.300 nan 0.000 0.493 180 M N 6.098 126.003 119.600 0.509 0.000 2.125 180 M HA 0.509 4.984 4.480 -0.009 0.000 0.321 180 M C -1.022 175.621 176.300 0.572 0.000 0.983 180 M CA -0.289 55.285 55.300 0.458 0.000 0.934 180 M CB 1.823 34.617 32.600 0.324 0.000 1.542 180 M HN 0.415 nan 8.290 nan 0.000 0.424 181 I N 1.855 122.629 120.570 0.340 0.000 2.404 181 I HA 0.257 4.422 4.170 -0.009 0.000 0.293 181 I C -0.237 175.555 176.117 -0.543 0.000 0.992 181 I CA -0.769 60.570 61.300 0.065 0.000 1.149 181 I CB 1.892 39.897 38.000 0.009 0.000 1.315 181 I HN 0.576 nan 8.210 nan 0.000 0.446 182 D N 6.337 126.338 120.400 -0.664 0.000 2.339 182 D HA 0.156 4.790 4.640 -0.009 0.000 0.256 182 D C 0.427 176.416 176.300 -0.518 0.000 1.214 182 D CA -0.290 53.159 54.000 -0.918 0.000 0.877 182 D CB 1.382 41.887 40.800 -0.492 0.000 1.111 182 D HN 0.342 nan 8.370 nan 0.000 0.478 183 V N 1.853 121.452 119.914 -0.524 0.000 3.043 183 V HA 0.267 4.382 4.120 -0.009 0.000 0.357 183 V C 0.684 176.601 176.094 -0.295 0.000 1.372 183 V CA -0.175 61.850 62.300 -0.459 0.000 1.214 183 V CB -1.130 30.186 31.823 -0.846 0.000 1.224 183 V HN 0.479 nan 8.190 nan 0.000 0.507 184 S N -0.561 115.018 115.700 -0.201 0.000 2.606 184 S HA 0.216 4.680 4.470 -0.009 0.000 0.257 184 S C 0.928 175.537 174.600 0.014 0.000 1.327 184 S CA 0.365 58.538 58.200 -0.046 0.000 0.984 184 S CB 0.392 63.577 63.200 -0.024 0.000 0.941 184 S HN 0.499 nan 8.310 nan 0.000 0.576 185 Y N 1.763 122.048 120.300 -0.026 0.000 2.151 185 Y HA -0.209 4.335 4.550 -0.009 0.000 0.284 185 Y C 2.084 177.968 175.900 -0.027 0.000 1.166 185 Y CA 2.292 60.386 58.100 -0.011 0.000 1.163 185 Y CB -0.756 37.710 38.460 0.009 0.000 0.974 185 Y HN 0.676 nan 8.280 nan 0.000 0.511 186 N N 0.140 118.768 118.700 -0.120 0.000 2.289 186 N HA -0.137 4.598 4.740 -0.009 0.000 0.184 186 N C 1.803 177.185 175.510 -0.214 0.000 1.016 186 N CA 1.249 54.179 53.050 -0.201 0.000 0.872 186 N CB -0.312 38.138 38.487 -0.062 0.000 0.973 186 N HN 0.542 nan 8.380 nan 0.000 0.433 187 A N 0.685 123.379 122.820 -0.210 0.000 1.984 187 A HA 0.091 4.406 4.320 -0.009 0.000 0.214 187 A C 2.148 179.592 177.584 -0.233 0.000 1.173 187 A CA 0.259 52.142 52.037 -0.257 0.000 0.673 187 A CB 0.034 18.860 19.000 -0.291 0.000 0.830 187 A HN 0.029 nan 8.150 nan 0.000 0.453 188 I N 0.886 121.339 120.570 -0.195 0.000 2.162 188 I HA -0.213 3.951 4.170 -0.009 0.000 0.238 188 I C 2.726 178.743 176.117 -0.166 0.000 1.076 188 I CA 1.790 63.006 61.300 -0.141 0.000 1.353 188 I CB -1.173 36.797 38.000 -0.050 0.000 1.063 188 I HN 0.552 nan 8.210 nan 0.000 0.408 189 R N 1.499 121.825 120.500 -0.291 0.000 2.133 189 R HA -0.205 4.130 4.340 -0.009 0.000 0.247 189 R C 1.915 178.115 176.300 -0.168 0.000 1.151 189 R CA 2.321 58.243 56.100 -0.296 0.000 0.971 189 R CB -1.372 28.566 30.300 -0.603 0.000 0.866 189 R HN 0.476 nan 8.270 nan 0.000 0.447 190 T N -3.899 110.573 114.554 -0.136 0.000 3.055 190 T HA 0.232 4.577 4.350 -0.009 0.000 0.265 190 T C 1.544 176.226 174.700 -0.030 0.000 1.111 190 T CA 0.529 62.599 62.100 -0.051 0.000 1.118 190 T CB 0.278 69.185 68.868 0.065 0.000 0.909 190 T HN 0.606 nan 8.240 nan 0.000 0.501 191 G N 0.758 109.526 108.800 -0.054 0.000 2.159 191 G HA2 -0.236 3.719 3.960 -0.009 0.000 0.227 191 G HA3 -0.236 3.719 3.960 -0.009 0.000 0.227 191 G C 0.501 175.377 174.900 -0.039 0.000 0.986 191 G CA 0.281 45.354 45.100 -0.046 0.000 0.651 191 G HN 0.556 nan 8.290 nan 0.000 0.523 192 L N 0.923 122.108 121.223 -0.063 0.000 2.017 192 L HA 0.082 4.417 4.340 -0.009 0.000 0.208 192 L C 2.812 179.526 176.870 -0.259 0.000 1.073 192 L CA 2.858 57.581 54.840 -0.196 0.000 0.745 192 L CB -0.596 41.145 42.059 -0.530 0.000 0.894 192 L HN 0.255 nan 8.230 nan 0.000 0.432 193 V N -0.120 119.647 119.914 -0.245 0.000 2.392 193 V HA -0.305 3.810 4.120 -0.009 0.000 0.249 193 V C 2.795 178.784 176.094 -0.176 0.000 1.059 193 V CA 2.125 64.288 62.300 -0.227 0.000 1.051 193 V CB -0.733 30.982 31.823 -0.180 0.000 0.658 193 V HN 0.531 nan 8.190 nan 0.000 0.455 194 R N -0.149 120.273 120.500 -0.129 0.000 2.066 194 R HA -0.135 4.200 4.340 -0.009 0.000 0.232 194 R C 2.165 178.398 176.300 -0.112 0.000 1.131 194 R CA 1.657 57.693 56.100 -0.108 0.000 0.955 194 R CB -0.625 29.628 30.300 -0.079 0.000 0.851 194 R HN 0.398 nan 8.270 nan 0.000 0.432 195 L N 0.471 121.643 121.223 -0.086 0.000 2.013 195 L HA -0.150 4.185 4.340 -0.009 0.000 0.212 195 L C 2.018 178.820 176.870 -0.113 0.000 1.073 195 L CA 1.720 56.525 54.840 -0.059 0.000 0.753 195 L CB -0.740 41.346 42.059 0.045 0.000 0.890 195 L HN 0.380 nan 8.230 nan 0.000 0.432 196 L N -1.014 120.115 121.223 -0.158 0.000 2.027 196 L HA -0.200 4.134 4.340 -0.009 0.000 0.206 196 L C 2.492 179.189 176.870 -0.289 0.000 1.074 196 L CA 1.944 56.621 54.840 -0.271 0.000 0.745 196 L CB -0.979 40.828 42.059 -0.421 0.000 0.898 196 L HN 0.409 nan 8.230 nan 0.000 0.433 197 C N -0.251 118.904 119.300 -0.241 0.000 2.429 197 C HA -0.095 4.359 4.460 -0.009 0.000 0.277 197 C C 2.645 177.513 174.990 -0.203 0.000 1.262 197 C CA 0.504 59.386 59.018 -0.226 0.000 1.733 197 C CB -0.885 26.737 27.740 -0.197 0.000 2.010 197 C HN 0.554 nan 8.230 nan 0.000 0.483 198 E N 0.856 120.954 120.200 -0.170 0.000 2.058 198 E HA -0.215 4.130 4.350 -0.009 0.000 0.194 198 E C 2.004 178.510 176.600 -0.156 0.000 0.997 198 E CA 1.489 57.802 56.400 -0.145 0.000 0.801 198 E CB -0.523 29.107 29.700 -0.117 0.000 0.746 198 E HN 0.652 nan 8.360 nan 0.000 0.450 199 E N 0.709 120.797 120.200 -0.187 0.000 2.077 199 E HA -0.146 4.198 4.350 -0.009 0.000 0.193 199 E C 1.960 178.433 176.600 -0.211 0.000 0.989 199 E CA 0.534 56.810 56.400 -0.207 0.000 0.800 199 E CB -0.297 29.239 29.700 -0.274 0.000 0.746 199 E HN 0.048 nan 8.360 nan 0.000 0.452 200 L N 1.121 122.191 121.223 -0.256 0.000 2.127 200 L HA -0.150 4.184 4.340 -0.009 0.000 0.211 200 L C 2.001 178.769 176.870 -0.171 0.000 1.089 200 L CA 1.721 56.398 54.840 -0.271 0.000 0.757 200 L CB -0.680 41.180 42.059 -0.331 0.000 0.899 200 L HN 0.143 nan 8.230 nan 0.000 0.434 201 K N -1.598 118.712 120.400 -0.150 0.000 2.113 201 K HA -0.188 4.127 4.320 -0.009 0.000 0.208 201 K C 2.334 178.901 176.600 -0.055 0.000 1.047 201 K CA 1.695 57.918 56.287 -0.108 0.000 0.928 201 K CB -0.207 32.229 32.500 -0.107 0.000 0.716 201 K HN 0.277 nan 8.250 nan 0.000 0.446 202 S N 0.415 116.090 115.700 -0.042 0.000 2.460 202 S HA 0.003 4.468 4.470 -0.009 0.000 0.226 202 S C 1.787 176.468 174.600 0.136 0.000 1.057 202 S CA -0.028 58.197 58.200 0.041 0.000 0.948 202 S CB -0.067 63.140 63.200 0.012 0.000 0.822 202 S HN 0.194 nan 8.310 nan 0.000 0.512 203 L N 1.845 123.083 121.223 0.026 0.000 2.131 203 L HA 0.130 4.464 4.340 -0.009 0.000 0.210 203 L C 1.719 178.688 176.870 0.165 0.000 1.092 203 L CA 1.418 56.297 54.840 0.065 0.000 0.759 203 L CB -0.763 41.234 42.059 -0.104 0.000 0.903 203 L HN 0.299 nan 8.230 nan 0.000 0.435 204 L N -0.405 120.850 121.223 0.053 0.000 2.349 204 L HA -0.189 4.145 4.340 -0.009 0.000 0.220 204 L C 1.807 178.723 176.870 0.076 0.000 1.130 204 L CA 1.345 56.221 54.840 0.059 0.000 0.791 204 L CB -1.113 40.959 42.059 0.022 0.000 0.918 204 L HN 0.348 nan 8.230 nan 0.000 0.444 205 D N -1.515 118.929 120.400 0.074 0.000 2.349 205 D HA -0.024 4.611 4.640 -0.009 0.000 0.224 205 D C 0.568 176.635 176.300 -0.387 0.000 1.029 205 D CA 0.587 54.487 54.000 -0.167 0.000 0.879 205 D CB 0.203 40.817 40.800 -0.311 0.000 0.906 205 D HN 0.298 nan 8.370 nan 0.000 0.528 206 F N 0.595 120.558 119.950 0.021 0.000 2.881 206 F HA 0.274 4.795 4.527 -0.011 0.000 0.343 206 F C 0.527 176.374 175.800 0.080 0.000 1.233 206 F CA -0.527 57.497 58.000 0.040 0.000 1.262 206 F CB -0.013 39.007 39.000 0.032 0.000 0.980 206 F HN -0.316 nan 8.300 nan 0.000 0.506 207 L N 3.587 124.919 121.223 0.182 0.000 2.456 207 L HA 0.205 4.539 4.340 -0.009 0.000 0.272 207 L C -1.726 175.229 176.870 0.142 0.000 1.189 207 L CA -1.907 53.040 54.840 0.179 0.000 0.846 207 L CB 0.069 42.160 42.059 0.054 0.000 1.111 207 L HN -0.043 nan 8.230 nan 0.000 0.475 208 P HA 0.029 nan 4.420 nan 0.000 0.264 208 P C -0.760 176.600 177.300 0.101 0.000 1.179 208 P CA 0.303 63.506 63.100 0.172 0.000 0.763 208 P CB 0.832 32.683 31.700 0.251 0.000 0.806 209 R N 1.121 121.678 120.500 0.094 0.000 2.950 209 R HA 0.507 4.841 4.340 -0.009 0.000 0.253 209 R C 0.661 177.003 176.300 0.070 0.000 1.168 209 R CA -0.668 55.467 56.100 0.059 0.000 1.014 209 R CB 1.835 32.157 30.300 0.038 0.000 1.228 209 R HN 0.482 nan 8.270 nan 0.000 0.487 210 E N -1.076 119.152 120.200 0.047 0.000 3.530 210 E HA 0.288 4.633 4.350 -0.009 0.000 0.175 210 E C -0.420 176.198 176.600 0.028 0.000 0.861 210 E CA -0.984 55.445 56.400 0.048 0.000 1.136 210 E CB 0.445 30.172 29.700 0.045 0.000 1.859 210 E HN 0.627 nan 8.360 nan 0.000 0.369 211 G N 0.082 108.891 108.800 0.017 0.000 2.369 211 G HA2 0.278 4.233 3.960 -0.009 0.000 0.287 211 G HA3 0.278 4.233 3.960 -0.009 0.000 0.287 211 G C 0.753 175.653 174.900 -0.001 0.000 1.009 211 G CA 0.595 45.697 45.100 0.004 0.000 1.393 211 G HN 0.662 nan 8.290 nan 0.000 0.432 212 G N 0.952 109.753 108.800 0.002 0.000 2.321 212 G HA2 0.109 4.064 3.960 -0.009 0.000 0.287 212 G HA3 0.109 4.064 3.960 -0.009 0.000 0.287 212 G C 0.575 175.472 174.900 -0.005 0.000 1.018 212 G CA 0.520 45.619 45.100 -0.001 0.000 0.855 212 G HN 1.781 nan 8.290 nan 0.000 0.507 213 A N -0.861 121.956 122.820 -0.004 0.000 2.290 213 A HA 0.770 5.084 4.320 -0.009 0.000 0.310 213 A C 0.824 178.401 177.584 -0.012 0.000 1.202 213 A CA 0.087 52.118 52.037 -0.010 0.000 0.837 213 A CB 0.751 19.745 19.000 -0.010 0.000 1.139 213 A HN 0.400 nan 8.150 nan 0.000 0.509 214 E N 0.829 121.016 120.200 -0.021 0.000 2.400 214 E HA 0.023 4.367 4.350 -0.009 0.000 0.195 214 E C 0.362 176.935 176.600 -0.045 0.000 1.012 214 E CA 0.256 56.639 56.400 -0.030 0.000 0.875 214 E CB 0.509 30.190 29.700 -0.031 0.000 0.859 214 E HN 0.795 nan 8.360 nan 0.000 0.498 215 E N 0.909 121.084 120.200 -0.041 0.000 2.227 215 E HA 0.263 4.607 4.350 -0.009 0.000 0.268 215 E C -1.102 175.473 176.600 -0.042 0.000 0.907 215 E CA -0.482 55.888 56.400 -0.049 0.000 0.786 215 E CB 1.805 31.478 29.700 -0.046 0.000 1.191 215 E HN -0.106 nan 8.360 nan 0.000 0.411 216 S N 1.959 117.631 115.700 -0.047 0.000 2.565 216 S HA 0.392 4.857 4.470 -0.009 0.000 0.274 216 S C 0.489 175.051 174.600 -0.063 0.000 1.309 216 S CA 0.222 58.393 58.200 -0.047 0.000 1.043 216 S CB 1.166 64.337 63.200 -0.049 0.000 0.939 216 S HN 0.588 nan 8.310 nan 0.000 0.504 217 A N 4.985 127.761 122.820 -0.073 0.000 2.251 217 A HA 0.308 4.623 4.320 -0.009 0.000 0.209 217 A C 0.595 178.103 177.584 -0.128 0.000 1.187 217 A CA -0.119 51.868 52.037 -0.084 0.000 0.823 217 A CB -0.216 18.738 19.000 -0.077 0.000 0.846 217 A HN 0.747 nan 8.150 nan 0.000 0.486 218 I N 1.291 121.757 120.570 -0.173 0.000 2.452 218 I HA 0.187 4.351 4.170 -0.009 0.000 0.287 218 I C 0.422 176.422 176.117 -0.195 0.000 1.079 218 I CA 0.219 61.350 61.300 -0.281 0.000 1.387 218 I CB 0.161 37.846 38.000 -0.525 0.000 1.404 218 I HN 0.253 nan 8.210 nan 0.000 0.522 219 R N 4.079 124.486 120.500 -0.157 0.000 2.536 219 R HA 0.702 5.036 4.340 -0.009 0.000 0.279 219 R C -0.677 175.579 176.300 -0.075 0.000 1.001 219 R CA -0.620 55.426 56.100 -0.090 0.000 1.027 219 R CB 1.835 32.093 30.300 -0.070 0.000 1.096 219 R HN 0.382 nan 8.270 nan 0.000 0.502 220 V N 0.492 120.367 119.914 -0.066 0.000 2.815 220 V HA 0.761 4.876 4.120 -0.009 0.000 0.314 220 V C 0.290 176.160 176.094 -0.374 0.000 1.064 220 V CA -0.706 61.519 62.300 -0.127 0.000 0.952 220 V CB 2.095 33.884 31.823 -0.058 0.000 1.020 220 V HN 0.952 nan 8.190 nan 0.000 0.439 221 G N 1.169 109.602 108.800 -0.613 0.000 2.619 221 G HA2 0.789 4.743 3.960 -0.009 0.000 0.296 221 G HA3 0.789 4.743 3.960 -0.009 0.000 0.296 221 G C -1.872 172.618 174.900 -0.683 0.000 1.334 221 G CA -0.467 44.103 45.100 -0.883 0.000 0.934 221 G HN 0.375 nan 8.290 nan 0.000 0.476 222 F N 0.036 120.091 119.950 0.174 0.000 2.539 222 F HA 0.621 5.142 4.527 -0.009 0.000 0.318 222 F C -0.203 175.886 175.800 0.482 0.000 1.135 222 F CA -0.880 57.337 58.000 0.362 0.000 0.915 222 F CB 2.884 42.038 39.000 0.257 0.000 1.176 222 F HN 0.294 nan 8.300 nan 0.000 0.440 223 V N 1.608 121.812 119.914 0.483 0.000 2.686 223 V HA 0.669 4.783 4.120 -0.009 0.000 0.306 223 V C -0.468 175.823 176.094 0.328 0.000 1.065 223 V CA -0.826 61.607 62.300 0.221 0.000 0.894 223 V CB 2.350 34.027 31.823 -0.242 0.000 1.004 223 V HN 0.852 nan 8.190 nan 0.000 0.424 224 T N 1.254 116.035 114.554 0.378 0.000 2.932 224 T HA 0.931 5.275 4.350 -0.009 0.000 0.289 224 T C -0.946 173.913 174.700 0.265 0.000 1.039 224 T CA -0.720 61.546 62.100 0.275 0.000 1.024 224 T CB 2.140 71.183 68.868 0.293 0.000 1.090 224 T HN 1.121 nan 8.240 nan 0.000 0.496 225 Y N -0.194 120.134 120.300 0.046 0.000 2.641 225 Y HA 0.667 5.212 4.550 -0.009 0.000 0.333 225 Y C -0.697 175.185 175.900 -0.030 0.000 1.174 225 Y CA -1.233 56.829 58.100 -0.064 0.000 1.057 225 Y CB 0.453 38.874 38.460 -0.064 0.000 1.322 225 Y HN 0.778 nan 8.280 nan 0.000 0.457 226 N N 1.115 119.934 118.700 0.199 0.000 2.517 226 N HA 0.179 4.913 4.740 -0.009 0.000 0.121 226 N C 0.115 175.759 175.510 0.223 0.000 1.776 226 N CA 0.085 53.237 53.050 0.170 0.000 1.255 226 N CB 0.004 38.564 38.487 0.122 0.000 0.954 226 N HN 0.653 nan 8.380 nan 0.000 0.414 227 K N 0.430 120.918 120.400 0.147 0.000 2.387 227 K HA 0.434 4.748 4.320 -0.009 0.000 0.198 227 K C -0.546 176.098 176.600 0.073 0.000 1.022 227 K CA -0.106 56.251 56.287 0.117 0.000 1.128 227 K CB 0.412 32.973 32.500 0.101 0.000 0.853 227 K HN 0.154 nan 8.250 nan 0.000 0.523 228 V N 1.451 121.391 119.914 0.043 0.000 3.130 228 V HA 0.405 4.520 4.120 -0.009 0.000 0.310 228 V C -0.834 175.140 176.094 -0.201 0.000 1.158 228 V CA -1.109 61.164 62.300 -0.045 0.000 1.029 228 V CB 2.301 34.112 31.823 -0.019 0.000 1.057 228 V HN 0.111 nan 8.190 nan 0.000 0.436 229 L N 1.753 122.844 121.223 -0.220 0.000 2.325 229 L HA 0.630 4.965 4.340 -0.009 0.000 0.278 229 L C -1.156 175.503 176.870 -0.352 0.000 1.023 229 L CA -0.613 54.078 54.840 -0.248 0.000 0.811 229 L CB 1.483 43.529 42.059 -0.021 0.000 1.249 229 L HN 0.734 nan 8.230 nan 0.000 0.431 230 H N 2.205 121.287 119.070 0.020 0.000 2.708 230 H HA 0.415 4.966 4.556 -0.009 0.000 0.320 230 H C -1.109 174.010 175.328 -0.349 0.000 0.991 230 H CA -0.326 55.652 56.048 -0.116 0.000 1.243 230 H CB 0.991 30.703 29.762 -0.083 0.000 1.446 230 H HN 0.289 nan 8.280 nan 0.000 0.502 231 F N 2.368 122.184 119.950 -0.224 0.000 2.394 231 F HA 0.336 4.858 4.527 -0.009 0.000 0.340 231 F C -0.342 175.309 175.800 -0.249 0.000 1.105 231 F CA -0.414 57.497 58.000 -0.148 0.000 1.124 231 F CB 0.750 39.629 39.000 -0.202 0.000 1.145 231 F HN 0.457 nan 8.300 nan 0.000 0.505 232 Y N 1.893 122.476 120.300 0.473 0.000 2.468 232 Y HA 0.275 4.820 4.550 -0.008 0.000 0.342 232 Y C 0.310 176.470 175.900 0.433 0.000 1.021 232 Y CA -1.069 57.256 58.100 0.374 0.000 1.079 232 Y CB 1.060 39.695 38.460 0.293 0.000 1.226 232 Y HN 0.514 nan 8.280 nan 0.000 0.460 243 M N 2.842 122.519 119.600 0.127 0.000 2.190 243 M HA 0.591 5.065 4.480 -0.009 0.000 0.312 243 M C -1.841 174.472 176.300 0.022 0.000 0.990 243 M CA -0.578 54.749 55.300 0.045 0.000 0.927 243 M CB 1.557 34.204 32.600 0.080 0.000 1.571 243 M HN 0.825 nan 8.290 nan 0.000 0.427 244 M N 6.210 125.811 119.600 0.003 0.000 2.044 244 M HA 0.441 4.916 4.480 -0.009 0.000 0.333 244 M C -1.834 174.497 176.300 0.051 0.000 1.004 244 M CA -0.665 54.646 55.300 0.019 0.000 0.954 244 M CB 1.095 33.685 32.600 -0.018 0.000 1.468 244 M HN 0.524 nan 8.290 nan 0.000 0.414 245 V N 6.053 126.006 119.914 0.066 0.000 2.406 245 V HA 0.321 4.436 4.120 -0.009 0.000 0.272 245 V C -0.370 175.750 176.094 0.043 0.000 1.043 245 V CA -0.606 61.754 62.300 0.099 0.000 0.915 245 V CB 1.232 33.150 31.823 0.159 0.000 0.988 245 V HN 0.606 nan 8.190 nan 0.000 0.466 246 V N 4.850 124.778 119.914 0.025 0.000 2.313 246 V HA 0.284 4.399 4.120 -0.009 0.000 0.278 246 V C 0.914 177.011 176.094 0.006 0.000 1.017 246 V CA 0.250 62.551 62.300 0.000 0.000 0.823 246 V CB 1.162 32.968 31.823 -0.027 0.000 1.010 246 V HN 1.006 nan 8.190 nan 0.000 0.443 247 S N 1.550 117.264 115.700 0.022 0.000 2.497 247 S HA 0.055 4.519 4.470 -0.009 0.000 0.221 247 S C 0.765 175.382 174.600 0.028 0.000 1.037 247 S CA 0.035 58.251 58.200 0.027 0.000 0.920 247 S CB 0.047 63.272 63.200 0.042 0.000 0.800 247 S HN 0.637 nan 8.310 nan 0.000 0.505 248 D N 2.879 123.299 120.400 0.034 0.000 2.441 248 D HA 0.317 4.951 4.640 -0.009 0.000 0.243 248 D C 0.333 176.652 176.300 0.032 0.000 1.257 248 D CA 0.054 54.076 54.000 0.037 0.000 1.027 248 D CB 0.155 40.986 40.800 0.052 0.000 1.084 248 D HN 0.121 nan 8.370 nan 0.000 0.514 249 V N 2.783 122.710 119.914 0.021 0.000 3.743 249 V HA 0.566 4.680 4.120 -0.009 0.000 0.274 249 V C 1.835 177.937 176.094 0.013 0.000 1.001 249 V CA 0.024 62.331 62.300 0.011 0.000 0.890 249 V CB 0.489 32.313 31.823 0.003 0.000 1.225 249 V HN 0.711 nan 8.190 nan 0.000 0.411 250 A N 0.133 122.955 122.820 0.003 0.000 2.070 250 A HA -0.267 4.048 4.320 -0.009 0.000 0.231 250 A C 0.903 178.490 177.584 0.005 0.000 0.501 250 A CA 1.727 53.765 52.037 0.002 0.000 1.119 250 A CB -1.794 17.211 19.000 0.008 0.000 1.430 250 A HN 0.867 nan 8.150 nan 0.000 0.706 251 D N -0.589 119.821 120.400 0.016 0.000 2.607 251 D HA 0.537 5.172 4.640 -0.009 0.000 0.318 251 D C 1.193 177.528 176.300 0.058 0.000 1.212 251 D CA -0.057 53.958 54.000 0.026 0.000 0.861 251 D CB -0.305 40.506 40.800 0.018 0.000 1.064 251 D HN 0.357 nan 8.370 nan 0.000 0.500 252 M N 0.761 120.387 119.600 0.044 0.000 5.024 252 M HA -0.121 4.353 4.480 -0.009 0.000 0.326 252 M C 0.549 176.925 176.300 0.127 0.000 1.012 252 M CA 1.343 56.670 55.300 0.044 0.000 1.049 252 M CB -0.548 32.052 32.600 0.001 0.000 1.121 252 M HN 0.513 nan 8.290 nan 0.000 0.797 253 F N -0.562 119.340 119.950 -0.081 0.000 2.152 253 F HA -0.131 4.391 4.527 -0.009 0.000 0.503 253 F C -1.875 173.831 175.800 -0.155 0.000 1.268 253 F CA -0.496 57.444 58.000 -0.100 0.000 1.619 253 F CB -0.782 38.172 39.000 -0.077 0.000 2.580 253 F HN -0.020 nan 8.300 nan 0.000 0.727 254 V N 8.641 128.147 119.914 -0.680 0.000 2.376 254 V HA 0.463 4.578 4.120 -0.009 0.000 0.287 254 V C -1.710 173.890 176.094 -0.823 0.000 1.015 254 V CA -1.562 60.206 62.300 -0.886 0.000 0.834 254 V CB 1.672 33.004 31.823 -0.819 0.000 1.001 254 V HN 0.691 nan 8.190 nan 0.000 0.428 255 P HA -0.016 nan 4.420 nan 0.000 0.264 255 P C -0.179 176.925 177.300 -0.326 0.000 1.173 255 P CA 0.037 62.846 63.100 -0.485 0.000 0.761 255 P CB 0.538 32.005 31.700 -0.389 0.000 0.794 256 L N 3.866 124.997 121.223 -0.154 0.000 2.387 256 L HA 0.149 4.483 4.340 -0.009 0.000 0.267 256 L C -0.656 176.194 176.870 -0.034 0.000 1.197 256 L CA -0.539 54.253 54.840 -0.080 0.000 1.070 256 L CB -0.406 41.641 42.059 -0.020 0.000 1.349 256 L HN 0.192 nan 8.230 nan 0.000 0.422 257 L N 3.261 124.465 121.223 -0.031 0.000 2.399 257 L HA 0.215 4.550 4.340 -0.009 0.000 0.266 257 L C 1.210 178.156 176.870 0.125 0.000 1.114 257 L CA 0.374 55.243 54.840 0.050 0.000 0.804 257 L CB 0.831 42.933 42.059 0.073 0.000 1.146 257 L HN 0.425 nan 8.230 nan 0.000 0.451 258 D N 1.361 121.830 120.400 0.114 0.000 2.355 258 D HA 0.030 4.665 4.640 -0.009 0.000 0.206 258 D C 1.643 178.028 176.300 0.142 0.000 1.010 258 D CA 0.854 54.923 54.000 0.114 0.000 0.875 258 D CB 0.543 41.390 40.800 0.077 0.000 0.966 258 D HN 0.826 nan 8.370 nan 0.000 0.512 259 G N 0.275 109.177 108.800 0.170 0.000 2.572 259 G HA2 -0.115 3.840 3.960 -0.009 0.000 0.216 259 G HA3 -0.115 3.840 3.960 -0.009 0.000 0.216 259 G C 0.456 175.513 174.900 0.261 0.000 1.133 259 G CA -0.192 45.021 45.100 0.188 0.000 0.791 259 G HN 0.078 nan 8.290 nan 0.000 0.538 260 F N 0.901 120.941 119.950 0.150 0.000 2.399 260 F HA 0.502 5.024 4.527 -0.009 0.000 0.342 260 F C 0.703 176.592 175.800 0.149 0.000 1.106 260 F CA -1.113 57.003 58.000 0.193 0.000 1.196 260 F CB 0.472 39.591 39.000 0.197 0.000 1.163 260 F HN -0.013 nan 8.300 nan 0.000 0.547 261 L N 5.840 126.814 121.223 -0.414 0.000 3.133 261 L HA -0.128 4.207 4.340 -0.009 0.000 0.697 261 L C -0.986 175.852 176.870 -0.053 0.000 1.093 261 L CA 0.129 54.832 54.840 -0.228 0.000 1.305 261 L CB -1.767 40.248 42.059 -0.073 0.000 1.841 261 L HN 0.531 nan 8.230 nan 0.000 0.896 262 V N -0.935 118.962 119.914 -0.028 0.000 3.046 262 V HA 0.619 4.734 4.120 -0.009 0.000 0.316 262 V C 0.259 176.364 176.094 0.019 0.000 1.104 262 V CA -0.875 61.441 62.300 0.026 0.000 1.006 262 V CB 2.163 34.030 31.823 0.073 0.000 1.058 262 V HN 0.524 nan 8.190 nan 0.000 0.440 263 N N 0.605 119.316 118.700 0.017 0.000 2.520 263 N HA 0.325 5.059 4.740 -0.009 0.000 0.273 263 N C 0.732 176.255 175.510 0.021 0.000 1.155 263 N CA -0.154 52.899 53.050 0.005 0.000 0.967 263 N CB 1.711 40.195 38.487 -0.004 0.000 1.092 263 N HN 0.574 nan 8.380 nan 0.000 0.457 264 V N 2.847 122.771 119.914 0.017 0.000 2.343 264 V HA -0.214 3.901 4.120 -0.009 0.000 0.247 264 V C 1.789 177.885 176.094 0.002 0.000 1.051 264 V CA 1.434 63.749 62.300 0.026 0.000 1.036 264 V CB -0.599 31.236 31.823 0.019 0.000 0.654 264 V HN 0.740 nan 8.190 nan 0.000 0.451 265 N N 0.085 118.777 118.700 -0.014 0.000 2.188 265 N HA -0.134 4.601 4.740 -0.009 0.000 0.184 265 N C 1.826 177.327 175.510 -0.015 0.000 1.018 265 N CA 1.386 54.422 53.050 -0.023 0.000 0.858 265 N CB -0.105 38.363 38.487 -0.032 0.000 0.989 265 N HN 0.636 nan 8.380 nan 0.000 0.426 266 E N 0.429 120.625 120.200 -0.006 0.000 2.046 266 E HA 0.032 4.377 4.350 -0.009 0.000 0.190 266 E C 0.975 177.577 176.600 0.004 0.000 0.982 266 E CA 0.846 57.246 56.400 -0.001 0.000 0.800 266 E CB -0.031 29.671 29.700 0.004 0.000 0.756 266 E HN 0.096 nan 8.360 nan 0.000 0.449 267 S N 0.811 116.519 115.700 0.013 0.000 2.660 267 S HA 0.089 4.553 4.470 -0.009 0.000 0.227 267 S C 1.244 175.846 174.600 0.002 0.000 0.948 267 S CA -0.242 57.968 58.200 0.017 0.000 0.948 267 S CB 0.079 63.304 63.200 0.043 0.000 0.779 267 S HN 0.191 nan 8.310 nan 0.000 0.487 268 R N 2.240 122.735 120.500 -0.008 0.000 2.136 268 R HA -0.252 4.083 4.340 -0.009 0.000 0.242 268 R C 2.219 178.496 176.300 -0.038 0.000 1.131 268 R CA 2.051 58.138 56.100 -0.022 0.000 0.937 268 R CB -0.588 29.696 30.300 -0.027 0.000 0.863 268 R HN 0.428 nan 8.270 nan 0.000 0.435 269 A N -0.001 122.798 122.820 -0.034 0.000 1.902 269 A HA -0.087 4.227 4.320 -0.009 0.000 0.217 269 A C 2.318 179.870 177.584 -0.053 0.000 1.181 269 A CA 1.663 53.674 52.037 -0.042 0.000 0.623 269 A CB -0.459 18.521 19.000 -0.032 0.000 0.818 269 A HN 0.271 nan 8.150 nan 0.000 0.443 270 V N 0.238 120.128 119.914 -0.040 0.000 2.343 270 V HA -0.273 3.842 4.120 -0.009 0.000 0.247 270 V C 2.383 178.421 176.094 -0.094 0.000 1.051 270 V CA 2.014 64.287 62.300 -0.045 0.000 1.036 270 V CB -0.787 31.030 31.823 -0.010 0.000 0.654 270 V HN 0.566 nan 8.190 nan 0.000 0.451 271 I N 0.248 120.756 120.570 -0.104 0.000 2.252 271 I HA -0.198 3.966 4.170 -0.009 0.000 0.245 271 I C 2.542 178.505 176.117 -0.255 0.000 1.102 271 I CA 1.749 62.923 61.300 -0.210 0.000 1.385 271 I CB -0.642 37.286 38.000 -0.120 0.000 1.064 271 I HN 0.312 nan 8.210 nan 0.000 0.414 272 T N -0.480 113.975 114.554 -0.165 0.000 2.788 272 T HA -0.184 4.160 4.350 -0.009 0.000 0.268 272 T C 2.083 176.686 174.700 -0.163 0.000 1.044 272 T CA 1.722 63.728 62.100 -0.155 0.000 1.139 272 T CB -0.229 68.577 68.868 -0.105 0.000 0.867 272 T HN 0.322 nan 8.240 nan 0.000 0.454 273 S N 1.017 116.631 115.700 -0.144 0.000 2.355 273 S HA -0.071 4.394 4.470 -0.009 0.000 0.222 273 S C 2.027 176.520 174.600 -0.178 0.000 1.031 273 S CA 0.909 59.030 58.200 -0.132 0.000 0.993 273 S CB -0.473 62.669 63.200 -0.096 0.000 0.859 273 S HN 0.343 nan 8.310 nan 0.000 0.453 274 L N 1.698 122.779 121.223 -0.237 0.000 2.042 274 L HA 0.062 4.396 4.340 -0.009 0.000 0.210 274 L C 2.069 178.715 176.870 -0.372 0.000 1.076 274 L CA 1.756 56.395 54.840 -0.335 0.000 0.749 274 L CB -0.679 41.110 42.059 -0.450 0.000 0.893 274 L HN 0.408 nan 8.230 nan 0.000 0.432 275 L N -0.773 120.231 121.223 -0.364 0.000 2.201 275 L HA -0.148 4.186 4.340 -0.009 0.000 0.212 275 L C 2.073 178.813 176.870 -0.217 0.000 1.105 275 L CA 0.930 55.583 54.840 -0.311 0.000 0.775 275 L CB -0.721 41.161 42.059 -0.295 0.000 0.913 275 L HN 0.303 nan 8.230 nan 0.000 0.440 276 D N -0.593 119.697 120.400 -0.184 0.000 2.194 276 D HA -0.156 4.479 4.640 -0.009 0.000 0.204 276 D C 2.114 178.336 176.300 -0.130 0.000 0.964 276 D CA 0.804 54.721 54.000 -0.138 0.000 0.846 276 D CB 0.199 40.930 40.800 -0.115 0.000 0.962 276 D HN 0.362 nan 8.370 nan 0.000 0.490 277 Q N 0.356 120.065 119.800 -0.153 0.000 1.965 277 Q HA -0.084 4.251 4.340 -0.009 0.000 0.200 277 Q C 2.454 178.378 176.000 -0.127 0.000 0.981 277 Q CA 0.696 56.415 55.803 -0.140 0.000 0.834 277 Q CB -0.036 28.607 28.738 -0.157 0.000 0.900 277 Q HN 0.188 nan 8.270 nan 0.000 0.426 278 I N 1.092 121.570 120.570 -0.154 0.000 2.130 278 I HA -0.363 3.801 4.170 -0.009 0.000 0.241 278 I C -0.845 175.312 176.117 0.066 0.000 1.023 278 I CA 1.880 63.159 61.300 -0.036 0.000 1.293 278 I CB -1.380 36.555 38.000 -0.109 0.000 1.001 278 I HN 0.293 nan 8.210 nan 0.000 0.407 279 P HA -0.162 nan 4.420 nan 0.000 0.216 279 P C 1.385 178.689 177.300 0.007 0.000 1.150 279 P CA 1.350 64.450 63.100 0.000 0.000 0.837 279 P CB -0.014 31.653 31.700 -0.054 0.000 0.786 280 E N -1.058 119.118 120.200 -0.039 0.000 2.072 280 E HA -0.118 4.227 4.350 -0.009 0.000 0.190 280 E C 1.944 178.484 176.600 -0.100 0.000 0.982 280 E CA 0.909 57.274 56.400 -0.059 0.000 0.803 280 E CB -0.922 28.733 29.700 -0.075 0.000 0.755 280 E HN 0.282 nan 8.360 nan 0.000 0.453 281 M N -0.575 118.922 119.600 -0.172 0.000 2.260 281 M HA -0.159 4.316 4.480 -0.009 0.000 0.261 281 M C 0.609 176.540 176.300 -0.616 0.000 1.066 281 M CA 1.488 56.540 55.300 -0.413 0.000 1.082 281 M CB 0.047 32.319 32.600 -0.546 0.000 1.388 281 M HN -0.022 nan 8.290 nan 0.000 0.419 282 F N -1.633 118.288 119.950 -0.048 0.000 2.706 282 F HA 0.401 4.922 4.527 -0.010 0.000 0.313 282 F C 1.844 177.637 175.800 -0.012 0.000 1.096 282 F CA 0.151 58.133 58.000 -0.030 0.000 1.219 282 F CB -0.562 38.416 39.000 -0.037 0.000 1.051 282 F HN 0.055 nan 8.300 nan 0.000 0.568 283 A N -0.148 122.730 122.820 0.098 0.000 2.032 283 A HA -0.194 4.120 4.320 -0.009 0.000 0.221 283 A C 1.749 179.383 177.584 0.083 0.000 1.165 283 A CA 2.184 54.261 52.037 0.068 0.000 0.645 283 A CB -0.409 18.603 19.000 0.020 0.000 0.807 283 A HN 0.236 nan 8.150 nan 0.000 0.453 284 D N -1.323 119.120 120.400 0.072 0.000 2.369 284 D HA 0.077 4.711 4.640 -0.009 0.000 0.211 284 D C 0.616 176.976 176.300 0.100 0.000 1.077 284 D CA 0.257 54.300 54.000 0.072 0.000 0.842 284 D CB -0.056 40.761 40.800 0.028 0.000 0.947 284 D HN 0.283 nan 8.370 nan 0.000 0.509 285 T N 0.355 115.001 114.554 0.153 0.000 2.937 285 T HA -0.009 4.336 4.350 -0.009 0.000 0.316 285 T C 1.162 175.952 174.700 0.150 0.000 1.079 285 T CA 0.381 62.585 62.100 0.174 0.000 1.131 285 T CB 0.658 69.685 68.868 0.265 0.000 1.000 285 T HN -0.033 nan 8.240 nan 0.000 0.549 286 R N 1.670 122.209 120.500 0.066 0.000 2.531 286 R HA 0.173 4.507 4.340 -0.009 0.000 0.316 286 R C 0.058 176.349 176.300 -0.015 0.000 0.955 286 R CA -0.409 55.643 56.100 -0.080 0.000 1.120 286 R CB 0.473 30.692 30.300 -0.134 0.000 1.361 286 R HN 0.581 nan 8.270 nan 0.000 0.534 287 E N 1.262 121.510 120.200 0.081 0.000 2.414 287 E HA 0.013 4.357 4.350 -0.009 0.000 0.263 287 E C 0.190 176.858 176.600 0.113 0.000 1.000 287 E CA 0.712 57.167 56.400 0.092 0.000 0.914 287 E CB 1.280 31.052 29.700 0.120 0.000 0.948 287 E HN -0.011 nan 8.360 nan 0.000 0.444 288 T N 2.779 117.390 114.554 0.094 0.000 3.019 288 T HA 0.051 4.396 4.350 -0.009 0.000 0.247 288 T C -0.142 174.615 174.700 0.094 0.000 0.992 288 T CA -0.151 62.013 62.100 0.108 0.000 1.036 288 T CB 0.300 69.225 68.868 0.096 0.000 1.063 288 T HN 0.360 nan 8.240 nan 0.000 0.476 289 E N 2.878 123.134 120.200 0.092 0.000 2.360 289 E HA 0.376 4.721 4.350 -0.009 0.000 0.269 289 E C -0.159 176.518 176.600 0.128 0.000 1.022 289 E CA -0.049 56.413 56.400 0.103 0.000 0.887 289 E CB 0.765 30.520 29.700 0.091 0.000 0.990 289 E HN 0.371 nan 8.360 nan 0.000 0.426 290 T N -1.544 113.110 114.554 0.167 0.000 2.896 290 T HA 0.575 4.920 4.350 -0.009 0.000 0.297 290 T C -0.037 174.827 174.700 0.274 0.000 1.108 290 T CA -1.034 61.214 62.100 0.246 0.000 1.004 290 T CB 1.225 70.274 68.868 0.302 0.000 1.159 290 T HN 0.269 nan 8.240 nan 0.000 0.499 291 V N -0.181 119.884 119.914 0.253 0.000 3.211 291 V HA 0.839 4.954 4.120 -0.009 0.000 0.319 291 V C 0.209 176.394 176.094 0.151 0.000 1.096 291 V CA -0.602 61.789 62.300 0.152 0.000 1.029 291 V CB 1.399 33.242 31.823 0.034 0.000 1.137 291 V HN 1.019 nan 8.190 nan 0.000 0.453 292 F N -0.429 119.443 119.950 -0.130 0.000 1.868 292 F HA 0.255 4.776 4.527 -0.009 0.000 0.245 292 F C 1.705 177.349 175.800 -0.260 0.000 1.114 292 F CA 1.320 59.171 58.000 -0.249 0.000 1.261 292 F CB 0.149 39.011 39.000 -0.228 0.000 1.620 292 F HN 0.247 nan 8.300 nan 0.000 0.567 293 V N 2.588 122.500 119.914 -0.004 0.000 2.282 293 V HA -0.240 3.874 4.120 -0.009 0.000 0.249 293 V C -0.892 175.065 176.094 -0.228 0.000 1.057 293 V CA 2.811 64.994 62.300 -0.195 0.000 1.032 293 V CB -1.832 29.839 31.823 -0.254 0.000 0.645 293 V HN 0.236 nan 8.190 nan 0.000 0.447 294 P HA -0.084 nan 4.420 nan 0.000 0.218 294 P C 1.874 179.056 177.300 -0.196 0.000 1.149 294 P CA 1.093 64.104 63.100 -0.148 0.000 0.817 294 P CB -0.066 31.573 31.700 -0.101 0.000 0.785 295 V N -0.098 119.615 119.914 -0.335 0.000 2.255 295 V HA -0.250 3.864 4.120 -0.009 0.000 0.247 295 V C 2.330 178.244 176.094 -0.299 0.000 1.051 295 V CA 1.806 63.857 62.300 -0.415 0.000 1.018 295 V CB -1.137 30.210 31.823 -0.792 0.000 0.641 295 V HN 0.062 nan 8.190 nan 0.000 0.445 296 I N -0.514 119.833 120.570 -0.372 0.000 2.394 296 I HA -0.266 3.899 4.170 -0.009 0.000 0.251 296 I C 2.690 178.715 176.117 -0.154 0.000 1.136 296 I CA 1.389 62.527 61.300 -0.270 0.000 1.425 296 I CB -0.424 37.383 38.000 -0.322 0.000 1.079 296 I HN 0.407 nan 8.210 nan 0.000 0.425 297 Q N 0.654 120.366 119.800 -0.146 0.000 2.084 297 Q HA -0.179 4.156 4.340 -0.009 0.000 0.202 297 Q C 2.525 178.500 176.000 -0.042 0.000 0.978 297 Q CA 1.737 57.487 55.803 -0.089 0.000 0.844 297 Q CB -0.231 28.454 28.738 -0.088 0.000 0.898 297 Q HN 0.582 nan 8.270 nan 0.000 0.426 298 A N 0.975 123.785 122.820 -0.016 0.000 1.898 298 A HA -0.097 4.217 4.320 -0.009 0.000 0.216 298 A C 2.284 179.957 177.584 0.148 0.000 1.181 298 A CA 1.623 53.713 52.037 0.089 0.000 0.620 298 A CB -1.192 17.949 19.000 0.234 0.000 0.819 298 A HN 0.473 nan 8.150 nan 0.000 0.442 299 G N -0.671 108.185 108.800 0.093 0.000 2.459 299 G HA2 -0.294 3.661 3.960 -0.009 0.000 0.217 299 G HA3 -0.294 3.661 3.960 -0.009 0.000 0.217 299 G C 1.632 176.590 174.900 0.097 0.000 1.183 299 G CA 1.325 46.497 45.100 0.120 0.000 0.776 299 G HN 0.411 nan 8.290 nan 0.000 0.552 300 M N 0.290 119.906 119.600 0.027 0.000 2.159 300 M HA -0.051 4.423 4.480 -0.009 0.000 0.263 300 M C 2.312 178.627 176.300 0.025 0.000 1.063 300 M CA 1.941 57.251 55.300 0.016 0.000 1.110 300 M CB -0.352 32.234 32.600 -0.024 0.000 1.374 300 M HN 0.234 nan 8.290 nan 0.000 0.411 301 E N 0.315 120.523 120.200 0.012 0.000 2.106 301 E HA -0.032 4.312 4.350 -0.009 0.000 0.192 301 E C 1.910 178.510 176.600 -0.001 0.000 0.984 301 E CA 1.619 58.015 56.400 -0.008 0.000 0.806 301 E CB -0.248 29.428 29.700 -0.040 0.000 0.750 301 E HN 0.595 nan 8.360 nan 0.000 0.458 302 A N 0.080 122.921 122.820 0.034 0.000 1.930 302 A HA -0.126 4.189 4.320 -0.009 0.000 0.217 302 A C 2.159 179.832 177.584 0.148 0.000 1.175 302 A CA 1.091 53.174 52.037 0.077 0.000 0.627 302 A CB -0.577 18.549 19.000 0.210 0.000 0.815 302 A HN 0.282 nan 8.150 nan 0.000 0.443 303 L N -0.753 120.554 121.223 0.140 0.000 2.093 303 L HA -0.155 4.180 4.340 -0.009 0.000 0.208 303 L C 2.610 179.523 176.870 0.072 0.000 1.085 303 L CA 1.737 56.647 54.840 0.115 0.000 0.755 303 L CB -0.361 41.758 42.059 0.099 0.000 0.904 303 L HN 0.447 nan 8.230 nan 0.000 0.435 304 K N 0.516 120.946 120.400 0.049 0.000 2.025 304 K HA -0.180 4.135 4.320 -0.009 0.000 0.207 304 K C 2.177 178.795 176.600 0.030 0.000 1.049 304 K CA 1.301 57.607 56.287 0.031 0.000 0.933 304 K CB -0.089 32.420 32.500 0.016 0.000 0.714 304 K HN 0.245 nan 8.250 nan 0.000 0.438 305 A N 1.040 123.877 122.820 0.028 0.000 1.908 305 A HA -0.142 4.173 4.320 -0.009 0.000 0.218 305 A C 2.230 179.839 177.584 0.042 0.000 1.181 305 A CA 2.042 54.093 52.037 0.024 0.000 0.627 305 A CB -0.713 18.289 19.000 0.003 0.000 0.818 305 A HN 0.488 nan 8.150 nan 0.000 0.445 306 A N -0.971 121.888 122.820 0.065 0.000 2.169 306 A HA 0.220 4.535 4.320 -0.009 0.000 0.212 306 A C 0.601 178.211 177.584 0.044 0.000 1.153 306 A CA 0.786 52.863 52.037 0.066 0.000 0.756 306 A CB -0.501 18.555 19.000 0.094 0.000 0.813 306 A HN 0.641 nan 8.150 nan 0.000 0.471 307 E N -1.094 119.130 120.200 0.039 0.000 2.210 307 E HA -0.213 4.132 4.350 -0.009 0.000 0.201 307 E C -0.152 176.461 176.600 0.022 0.000 1.339 307 E CA 0.350 56.767 56.400 0.029 0.000 0.699 307 E CB -2.735 26.979 29.700 0.024 0.000 1.126 307 E HN 0.966 nan 8.360 nan 0.000 0.355 308 C N -2.502 116.811 119.300 0.022 0.000 3.239 308 C HA 0.897 5.351 4.460 -0.009 0.000 0.317 308 C C 0.521 175.518 174.990 0.012 0.000 1.310 308 C CA -0.293 58.723 59.018 -0.002 0.000 1.371 308 C CB 1.521 29.246 27.740 -0.024 0.000 1.714 308 C HN 0.580 nan 8.230 nan 0.000 0.473 309 A N 1.021 123.838 122.820 -0.005 0.000 2.378 309 A HA 1.070 5.384 4.320 -0.009 0.000 0.293 309 A C 0.587 178.208 177.584 0.062 0.000 1.250 309 A CA 0.239 52.309 52.037 0.056 0.000 0.915 309 A CB 0.570 19.637 19.000 0.112 0.000 1.402 309 A HN 2.887 nan 8.150 nan 0.000 0.502 310 G N -1.230 107.700 108.800 0.217 0.000 2.360 310 G HA2 0.473 4.428 3.960 -0.009 0.000 0.276 310 G HA3 0.473 4.428 3.960 -0.009 0.000 0.276 310 G C -1.648 173.454 174.900 0.337 0.000 1.256 310 G CA -0.671 44.633 45.100 0.341 0.000 0.890 310 G HN 0.701 nan 8.290 nan 0.000 0.486 311 K N -0.495 120.066 120.400 0.269 0.000 2.469 311 K HA 0.692 5.006 4.320 -0.009 0.000 0.254 311 K C -1.255 175.210 176.600 -0.226 0.000 0.939 311 K CA -0.698 55.524 56.287 -0.107 0.000 0.812 311 K CB 2.701 34.920 32.500 -0.468 0.000 1.301 311 K HN 0.343 nan 8.250 nan 0.000 0.433 312 L N 2.682 123.681 121.223 -0.373 0.000 2.333 312 L HA 0.528 4.862 4.340 -0.009 0.000 0.280 312 L C -1.138 175.456 176.870 -0.459 0.000 1.004 312 L CA -0.824 53.858 54.840 -0.264 0.000 0.820 312 L CB 0.829 42.801 42.059 -0.144 0.000 1.247 312 L HN 0.450 nan 8.230 nan 0.000 0.416 313 F N 3.741 123.565 119.950 -0.210 0.000 2.402 313 F HA 0.514 5.036 4.527 -0.008 0.000 0.355 313 F C 0.062 175.785 175.800 -0.128 0.000 1.123 313 F CA -0.419 57.491 58.000 -0.151 0.000 1.021 313 F CB 1.210 40.161 39.000 -0.081 0.000 1.160 313 F HN 0.168 nan 8.300 nan 0.000 0.451 314 L N 3.451 124.635 121.223 -0.065 0.000 2.344 314 L HA 0.552 4.887 4.340 -0.009 0.000 0.272 314 L C -1.100 175.670 176.870 -0.167 0.000 1.035 314 L CA -0.775 54.091 54.840 0.044 0.000 0.807 314 L CB 1.620 43.726 42.059 0.078 0.000 1.237 314 L HN 0.460 nan 8.230 nan 0.000 0.442 315 F N 0.219 120.479 119.950 0.517 0.000 2.810 315 F HA 0.312 4.835 4.527 -0.008 0.000 0.373 315 F C -0.210 175.850 175.800 0.433 0.000 1.174 315 F CA -0.569 57.751 58.000 0.534 0.000 1.141 315 F CB 0.713 39.859 39.000 0.244 0.000 1.420 315 F HN 0.376 nan 8.300 nan 0.000 0.518 316 H N 0.130 119.525 119.070 0.543 0.000 2.492 316 H HA 0.449 5.000 4.556 -0.009 0.000 0.345 316 H C 0.871 176.430 175.328 0.385 0.000 1.136 316 H CA -0.062 56.245 56.048 0.432 0.000 1.202 316 H CB 1.915 31.963 29.762 0.477 0.000 1.524 316 H HN 0.535 nan 8.280 nan 0.000 0.506 317 T N -0.201 114.324 114.554 -0.049 0.000 2.990 317 T HA 0.266 4.610 4.350 -0.009 0.000 0.249 317 T C -0.158 174.562 174.700 0.032 0.000 1.039 317 T CA 0.500 62.626 62.100 0.043 0.000 1.036 317 T CB 0.140 68.974 68.868 -0.057 0.000 0.994 317 T HN 0.453 nan 8.240 nan 0.000 0.489 318 S N 0.801 116.486 115.700 -0.025 0.000 2.588 318 S HA 0.566 5.031 4.470 -0.009 0.000 0.269 318 S C -1.133 173.565 174.600 0.163 0.000 1.157 318 S CA -1.099 57.141 58.200 0.066 0.000 0.824 318 S CB 1.019 64.240 63.200 0.035 0.000 1.126 318 S HN 0.219 nan 8.310 nan 0.000 0.464 319 L N 3.443 124.703 121.223 0.061 0.000 2.700 319 L HA 0.175 4.510 4.340 -0.009 0.000 0.276 319 L C -2.021 174.924 176.870 0.126 0.000 1.200 319 L CA -0.684 54.169 54.840 0.023 0.000 0.951 319 L CB -0.164 41.882 42.059 -0.021 0.000 1.226 319 L HN 0.524 nan 8.230 nan 0.000 0.489 320 P HA 0.058 nan 4.420 nan 0.000 0.268 320 P C 0.776 178.159 177.300 0.138 0.000 1.485 320 P CA -0.044 63.191 63.100 0.225 0.000 1.102 320 P CB -0.213 31.639 31.700 0.252 0.000 1.501 321 I N -0.442 120.201 120.570 0.122 0.000 3.793 321 I HA 0.285 4.449 4.170 -0.009 0.000 0.315 321 I C 0.747 176.918 176.117 0.089 0.000 1.275 321 I CA -0.529 60.827 61.300 0.093 0.000 1.214 321 I CB -0.023 38.026 38.000 0.081 0.000 1.018 321 I HN 0.008 nan 8.210 nan 0.000 0.439 322 A N 2.032 124.914 122.820 0.104 0.000 2.531 322 A HA 0.035 4.349 4.320 -0.009 0.000 0.236 322 A C 0.273 177.902 177.584 0.074 0.000 1.062 322 A CA -0.021 52.070 52.037 0.090 0.000 0.760 322 A CB 0.045 19.108 19.000 0.104 0.000 0.995 322 A HN 0.460 nan 8.150 nan 0.000 0.501 323 E N 0.549 120.785 120.200 0.061 0.000 2.081 323 E HA 0.473 4.818 4.350 -0.009 0.000 0.270 323 E C -0.028 176.599 176.600 0.044 0.000 1.180 323 E CA 1.217 57.647 56.400 0.050 0.000 0.926 323 E CB -0.275 29.450 29.700 0.043 0.000 1.035 323 E HN 1.042 nan 8.360 nan 0.000 0.418 324 A N 4.981 127.826 122.820 0.042 0.000 2.522 324 A HA 0.476 4.791 4.320 -0.009 0.000 0.291 324 A C -2.768 174.830 177.584 0.023 0.000 1.039 324 A CA -1.229 50.825 52.037 0.029 0.000 0.643 324 A CB 0.814 19.830 19.000 0.027 0.000 1.310 324 A HN 0.473 nan 8.150 nan 0.000 0.436 325 P HA 0.333 nan 4.420 nan 0.000 0.262 325 P C 0.914 178.197 177.300 -0.028 0.000 1.199 325 P CA 1.884 64.976 63.100 -0.013 0.000 0.763 325 P CB 0.465 32.144 31.700 -0.035 0.000 0.790 326 G N 2.900 111.703 108.800 0.005 0.000 2.201 326 G HA2 -0.199 3.755 3.960 -0.009 0.000 0.212 326 G HA3 -0.199 3.755 3.960 -0.009 0.000 0.212 326 G C 0.131 175.125 174.900 0.157 0.000 0.994 326 G CA 0.014 45.137 45.100 0.038 0.000 0.644 326 G HN 0.748 nan 8.290 nan 0.000 0.508 327 K N 0.880 121.342 120.400 0.103 0.000 2.561 327 K HA 0.401 4.715 4.320 -0.009 0.000 0.280 327 K C 0.172 176.836 176.600 0.107 0.000 0.975 327 K CA 0.317 56.665 56.287 0.101 0.000 1.024 327 K CB 0.631 33.176 32.500 0.075 0.000 0.883 327 K HN 0.368 nan 8.250 nan 0.000 0.496 328 L N 1.369 122.642 121.223 0.083 0.000 2.279 328 L HA 0.526 4.861 4.340 -0.009 0.000 0.262 328 L C -0.058 176.844 176.870 0.053 0.000 1.019 328 L CA -1.378 53.493 54.840 0.051 0.000 0.823 328 L CB 2.084 44.139 42.059 -0.007 0.000 1.358 328 L HN 0.682 nan 8.230 nan 0.000 0.432 329 K N 0.366 120.799 120.400 0.056 0.000 2.306 329 K HA 0.290 4.604 4.320 -0.009 0.000 0.236 329 K C -0.509 176.161 176.600 0.117 0.000 1.013 329 K CA -0.893 55.435 56.287 0.069 0.000 0.857 329 K CB 1.388 33.918 32.500 0.050 0.000 1.214 329 K HN 0.381 nan 8.250 nan 0.000 0.449 330 N N 2.341 121.111 118.700 0.118 0.000 3.245 330 N HA -0.001 4.733 4.740 -0.009 0.000 0.296 330 N C 0.140 175.668 175.510 0.029 0.000 1.254 330 N CA -0.060 53.093 53.050 0.172 0.000 1.190 330 N CB 0.211 38.774 38.487 0.127 0.000 1.460 330 N HN 0.467 nan 8.380 nan 0.000 0.538 331 R N -0.003 120.518 120.500 0.036 0.000 2.328 331 R HA 0.079 4.413 4.340 -0.009 0.000 0.206 331 R C -0.118 176.059 176.300 -0.205 0.000 0.990 331 R CA -0.220 55.845 56.100 -0.059 0.000 1.085 331 R CB -0.123 30.173 30.300 -0.007 0.000 0.998 331 R HN 0.136 nan 8.270 nan 0.000 0.484 332 D N 1.735 121.847 120.400 -0.480 0.000 2.255 332 D HA 0.107 4.742 4.640 -0.009 0.000 0.249 332 D C -0.930 175.164 176.300 -0.344 0.000 1.078 332 D CA -0.446 53.198 54.000 -0.594 0.000 0.896 332 D CB 0.946 40.926 40.800 -1.367 0.000 1.194 332 D HN 0.343 nan 8.370 nan 0.000 0.429 333 D N 1.786 122.044 120.400 -0.237 0.000 2.878 333 D HA 0.073 4.708 4.640 -0.009 0.000 0.211 333 D C -0.508 175.731 176.300 -0.102 0.000 1.271 333 D CA -0.704 53.208 54.000 -0.147 0.000 0.845 333 D CB 0.728 41.464 40.800 -0.105 0.000 1.679 333 D HN 0.464 nan 8.370 nan 0.000 0.536 334 R N 1.220 121.672 120.500 -0.080 0.000 3.457 334 R HA 0.062 4.396 4.340 -0.009 0.000 0.218 334 R C 0.903 177.181 176.300 -0.036 0.000 1.833 334 R CA 0.336 56.405 56.100 -0.052 0.000 1.554 334 R CB -0.056 30.219 30.300 -0.041 0.000 1.143 334 R HN 0.324 nan 8.270 nan 0.000 0.557 335 K N -0.136 120.242 120.400 -0.038 0.000 2.477 335 K HA 0.124 4.438 4.320 -0.009 0.000 0.208 335 K C 0.299 176.888 176.600 -0.019 0.000 1.117 335 K CA -0.015 56.257 56.287 -0.026 0.000 1.039 335 K CB 0.727 33.211 32.500 -0.028 0.000 0.937 335 K HN 0.038 nan 8.250 nan 0.000 0.570 336 L N 0.710 121.922 121.223 -0.018 0.000 2.693 336 L HA 0.161 4.495 4.340 -0.009 0.000 0.235 336 L C 1.054 177.931 176.870 0.010 0.000 1.127 336 L CA 0.269 55.105 54.840 -0.005 0.000 0.914 336 L CB 0.119 42.174 42.059 -0.007 0.000 1.193 336 L HN 0.026 nan 8.230 nan 0.000 0.502 337 I N 0.066 120.641 120.570 0.008 0.000 2.082 337 I HA -0.351 3.813 4.170 -0.009 0.000 0.221 337 I C 1.627 177.755 176.117 0.018 0.000 1.010 337 I CA 1.504 62.816 61.300 0.021 0.000 1.322 337 I CB -0.528 37.477 38.000 0.010 0.000 1.044 337 I HN 0.320 nan 8.210 nan 0.000 0.384 338 N N 0.889 119.594 118.700 0.008 0.000 3.243 338 N HA 0.050 4.784 4.740 -0.009 0.000 0.310 338 N C -0.952 174.560 175.510 0.004 0.000 1.313 338 N CA 0.147 53.200 53.050 0.005 0.000 1.204 338 N CB -0.165 38.323 38.487 0.002 0.000 1.483 338 N HN 0.328 nan 8.380 nan 0.000 0.553 339 T N -0.513 114.044 114.554 0.006 0.000 2.906 339 T HA 0.144 4.488 4.350 -0.009 0.000 0.295 339 T C 0.278 174.981 174.700 0.005 0.000 1.075 339 T CA -0.585 61.518 62.100 0.004 0.000 1.005 339 T CB 1.740 70.610 68.868 0.003 0.000 1.136 339 T HN 0.053 nan 8.240 nan 0.000 0.498 340 D N 0.759 121.161 120.400 0.003 0.000 2.351 340 D HA -0.031 4.603 4.640 -0.009 0.000 0.216 340 D C 1.082 177.385 176.300 0.005 0.000 0.968 340 D CA 1.051 55.052 54.000 0.002 0.000 0.899 340 D CB 0.137 40.938 40.800 0.001 0.000 0.907 340 D HN 0.341 nan 8.370 nan 0.000 0.514 341 K N 0.146 120.551 120.400 0.009 0.000 2.493 341 K HA 0.086 4.400 4.320 -0.009 0.000 0.207 341 K C 1.082 177.701 176.600 0.030 0.000 1.033 341 K CA -0.074 56.222 56.287 0.014 0.000 1.161 341 K CB 0.542 33.046 32.500 0.007 0.000 0.873 341 K HN 0.135 nan 8.250 nan 0.000 0.491 342 E N 2.155 122.379 120.200 0.039 0.000 2.285 342 E HA -0.153 4.191 4.350 -0.009 0.000 0.194 342 E C 1.601 178.293 176.600 0.153 0.000 0.997 342 E CA 0.849 57.300 56.400 0.085 0.000 0.845 342 E CB 0.262 30.002 29.700 0.067 0.000 0.782 342 E HN 0.284 nan 8.360 nan 0.000 0.491 343 K N -0.279 120.167 120.400 0.077 0.000 2.148 343 K HA -0.063 4.252 4.320 -0.009 0.000 0.204 343 K C 1.877 178.560 176.600 0.137 0.000 1.050 343 K CA 1.615 57.947 56.287 0.074 0.000 0.942 343 K CB -0.319 32.182 32.500 0.002 0.000 0.724 343 K HN -0.097 nan 8.250 nan 0.000 0.446 344 T N 2.494 117.102 114.554 0.089 0.000 2.653 344 T HA -0.143 4.202 4.350 -0.009 0.000 0.268 344 T C 1.775 176.510 174.700 0.059 0.000 1.035 344 T CA 1.805 63.939 62.100 0.057 0.000 1.154 344 T CB -0.341 68.542 68.868 0.025 0.000 0.862 344 T HN 0.187 nan 8.240 nan 0.000 0.441 345 L N -0.561 120.701 121.223 0.066 0.000 2.191 345 L HA -0.021 4.313 4.340 -0.009 0.000 0.212 345 L C 1.935 178.736 176.870 -0.115 0.000 1.103 345 L CA 1.178 55.991 54.840 -0.046 0.000 0.769 345 L CB -0.549 41.433 42.059 -0.129 0.000 0.908 345 L HN 0.233 nan 8.230 nan 0.000 0.438 346 F N -0.635 119.291 119.950 -0.040 0.000 2.765 346 F HA 0.112 4.634 4.527 -0.009 0.000 0.302 346 F C 1.254 177.018 175.800 -0.061 0.000 1.111 346 F CA -0.088 57.881 58.000 -0.052 0.000 1.359 346 F CB -0.097 38.865 39.000 -0.062 0.000 1.097 346 F HN 0.064 nan 8.300 nan 0.000 0.577 347 Q N 1.759 121.616 119.800 0.096 0.000 2.214 347 Q HA 0.258 4.593 4.340 -0.009 0.000 0.251 347 Q C -2.208 173.768 176.000 -0.041 0.000 0.936 347 Q CA -2.296 53.523 55.803 0.027 0.000 0.894 347 Q CB 0.834 29.587 28.738 0.025 0.000 1.252 347 Q HN -0.111 nan 8.270 nan 0.000 0.448 348 P HA -0.091 nan 4.420 nan 0.000 0.269 348 P C -0.412 176.809 177.300 -0.132 0.000 1.209 348 P CA 0.296 63.299 63.100 -0.163 0.000 0.776 348 P CB 0.850 32.473 31.700 -0.129 0.000 0.876 349 Q N 0.157 119.836 119.800 -0.201 0.000 2.291 349 Q HA -0.021 4.313 4.340 -0.009 0.000 0.205 349 Q C 0.057 176.043 176.000 -0.023 0.000 0.970 349 Q CA 1.211 56.954 55.803 -0.099 0.000 0.876 349 Q CB 0.234 28.907 28.738 -0.108 0.000 0.935 349 Q HN 0.566 nan 8.270 nan 0.000 0.455 350 T N -3.365 111.194 114.554 0.008 0.000 2.843 350 T HA 0.345 4.689 4.350 -0.009 0.000 0.302 350 T C 0.350 175.138 174.700 0.148 0.000 1.232 350 T CA -0.283 61.882 62.100 0.108 0.000 1.009 350 T CB 1.548 70.531 68.868 0.192 0.000 1.254 350 T HN 0.088 nan 8.240 nan 0.000 0.504 351 G N -0.109 108.762 108.800 0.119 0.000 2.920 351 G HA2 0.270 4.225 3.960 -0.009 0.000 0.208 351 G HA3 0.270 4.225 3.960 -0.009 0.000 0.208 351 G C 1.453 176.429 174.900 0.125 0.000 1.159 351 G CA 0.606 45.772 45.100 0.109 0.000 0.784 351 G HN 0.824 nan 8.290 nan 0.000 0.535 352 A N 0.449 123.357 122.820 0.147 0.000 1.933 352 A HA 0.008 4.323 4.320 -0.009 0.000 0.218 352 A C 2.046 179.635 177.584 0.009 0.000 1.175 352 A CA 1.149 53.215 52.037 0.048 0.000 0.628 352 A CB -0.488 18.502 19.000 -0.016 0.000 0.814 352 A HN 0.375 nan 8.150 nan 0.000 0.444 353 Y N -0.472 119.841 120.300 0.022 0.000 2.163 353 Y HA -0.208 4.336 4.550 -0.009 0.000 0.288 353 Y C 2.739 178.655 175.900 0.027 0.000 1.136 353 Y CA 1.576 59.694 58.100 0.029 0.000 1.147 353 Y CB -0.515 37.957 38.460 0.020 0.000 0.987 353 Y HN 0.330 nan 8.280 nan 0.000 0.509 354 Q N 0.410 120.328 119.800 0.197 0.000 2.061 354 Q HA -0.175 4.160 4.340 -0.009 0.000 0.204 354 Q C 1.995 178.052 176.000 0.095 0.000 0.984 354 Q CA 2.382 58.269 55.803 0.138 0.000 0.846 354 Q CB -0.570 28.242 28.738 0.123 0.000 0.902 354 Q HN 0.465 nan 8.270 nan 0.000 0.421 355 T N 2.300 116.895 114.554 0.067 0.000 2.652 355 T HA -0.180 4.164 4.350 -0.009 0.000 0.267 355 T C 1.850 176.538 174.700 -0.020 0.000 1.039 355 T CA 1.478 63.592 62.100 0.023 0.000 1.153 355 T CB -0.489 68.388 68.868 0.014 0.000 0.863 355 T HN 0.282 nan 8.240 nan 0.000 0.428 356 L N 1.572 122.774 121.223 -0.035 0.000 2.079 356 L HA 0.015 4.350 4.340 -0.009 0.000 0.210 356 L C 2.514 179.346 176.870 -0.063 0.000 1.081 356 L CA 1.935 56.735 54.840 -0.067 0.000 0.752 356 L CB -1.140 40.852 42.059 -0.112 0.000 0.896 356 L HN 0.226 nan 8.230 nan 0.000 0.433 357 A N -0.494 122.308 122.820 -0.031 0.000 1.933 357 A HA -0.259 4.055 4.320 -0.009 0.000 0.218 357 A C 2.464 179.956 177.584 -0.154 0.000 1.175 357 A CA 1.879 53.890 52.037 -0.043 0.000 0.628 357 A CB -0.620 18.400 19.000 0.034 0.000 0.814 357 A HN 0.546 nan 8.150 nan 0.000 0.444 358 K N -0.109 120.168 120.400 -0.204 0.000 2.097 358 K HA -0.186 4.128 4.320 -0.009 0.000 0.206 358 K C 1.857 178.289 176.600 -0.279 0.000 1.049 358 K CA 1.696 57.723 56.287 -0.432 0.000 0.933 358 K CB -0.174 32.154 32.500 -0.287 0.000 0.717 358 K HN 0.622 nan 8.250 nan 0.000 0.442 359 E N -0.043 120.064 120.200 -0.154 0.000 2.077 359 E HA -0.192 4.152 4.350 -0.009 0.000 0.193 359 E C 2.189 178.730 176.600 -0.098 0.000 0.989 359 E CA 1.423 57.759 56.400 -0.106 0.000 0.800 359 E CB -0.113 29.543 29.700 -0.073 0.000 0.746 359 E HN 0.385 nan 8.360 nan 0.000 0.452 360 C N 0.356 119.597 119.300 -0.097 0.000 2.413 360 C HA -0.114 4.341 4.460 -0.009 0.000 0.276 360 C C 2.730 177.678 174.990 -0.070 0.000 1.248 360 C CA 0.384 59.359 59.018 -0.071 0.000 1.742 360 C CB -0.721 26.979 27.740 -0.066 0.000 2.017 360 C HN 0.268 nan 8.230 nan 0.000 0.481 361 V N 1.440 121.279 119.914 -0.125 0.000 2.332 361 V HA -0.255 3.859 4.120 -0.009 0.000 0.248 361 V C 2.713 178.760 176.094 -0.077 0.000 1.055 361 V CA 2.264 64.495 62.300 -0.115 0.000 1.038 361 V CB -1.269 30.401 31.823 -0.255 0.000 0.651 361 V HN 0.619 nan 8.190 nan 0.000 0.450 362 A N -1.154 121.604 122.820 -0.103 0.000 1.940 362 A HA -0.239 4.075 4.320 -0.009 0.000 0.219 362 A C 2.097 179.671 177.584 -0.017 0.000 1.176 362 A CA 1.580 53.583 52.037 -0.057 0.000 0.631 362 A CB -0.379 18.583 19.000 -0.064 0.000 0.814 362 A HN 0.500 nan 8.150 nan 0.000 0.446 363 Q N -1.412 118.380 119.800 -0.014 0.000 2.403 363 Q HA 0.175 4.510 4.340 -0.009 0.000 0.203 363 Q C 1.043 177.067 176.000 0.041 0.000 0.932 363 Q CA 0.676 56.486 55.803 0.013 0.000 0.945 363 Q CB -0.023 28.721 28.738 0.010 0.000 1.045 363 Q HN 0.958 nan 8.270 nan 0.000 0.511 364 G N 0.961 109.790 108.800 0.048 0.000 2.198 364 G HA2 -0.278 3.677 3.960 -0.009 0.000 0.257 364 G HA3 -0.278 3.677 3.960 -0.009 0.000 0.257 364 G C 0.046 175.013 174.900 0.112 0.000 1.042 364 G CA 0.345 45.503 45.100 0.097 0.000 0.791 364 G HN 0.406 nan 8.290 nan 0.000 0.502 365 C N 1.299 120.633 119.300 0.057 0.000 2.239 365 C HA 0.710 5.165 4.460 -0.009 0.000 0.325 365 C C 1.166 176.155 174.990 -0.002 0.000 1.231 365 C CA -0.464 58.578 59.018 0.040 0.000 1.652 365 C CB -0.722 27.024 27.740 0.010 0.000 2.284 365 C HN 0.844 nan 8.230 nan 0.000 0.499 366 C N 7.393 126.684 119.300 -0.016 0.000 2.319 366 C HA 0.795 5.250 4.460 -0.009 0.000 0.335 366 C C 0.011 174.890 174.990 -0.184 0.000 1.274 366 C CA -0.322 58.644 59.018 -0.087 0.000 1.806 366 C CB 0.145 27.825 27.740 -0.101 0.000 2.329 366 C HN 0.941 nan 8.230 nan 0.000 0.524 367 V N 5.131 124.934 119.914 -0.184 0.000 2.448 367 V HA 0.613 4.728 4.120 -0.009 0.000 0.295 367 V C -0.808 175.135 176.094 -0.252 0.000 1.025 367 V CA -0.173 61.981 62.300 -0.244 0.000 0.859 367 V CB 1.603 33.324 31.823 -0.169 0.000 0.988 367 V HN 0.845 nan 8.190 nan 0.000 0.431 368 D N 4.555 124.738 120.400 -0.362 0.000 2.163 368 D HA 0.634 5.269 4.640 -0.009 0.000 0.248 368 D C -0.741 175.471 176.300 -0.146 0.000 1.035 368 D CA 0.035 53.892 54.000 -0.238 0.000 0.872 368 D CB 2.137 42.819 40.800 -0.197 0.000 1.183 368 D HN 0.679 nan 8.370 nan 0.000 0.445 369 L N 2.576 123.708 121.223 -0.151 0.000 2.362 369 L HA 0.520 4.854 4.340 -0.009 0.000 0.275 369 L C -1.678 175.083 176.870 -0.182 0.000 0.998 369 L CA -0.512 54.286 54.840 -0.071 0.000 0.820 369 L CB 1.004 43.076 42.059 0.022 0.000 1.270 369 L HN 0.174 nan 8.230 nan 0.000 0.415 370 F N 5.988 125.960 119.950 0.038 0.000 2.403 370 F HA 0.531 5.053 4.527 -0.008 0.000 0.355 370 F C -0.578 175.167 175.800 -0.091 0.000 1.119 370 F CA -0.602 57.418 58.000 0.033 0.000 1.007 370 F CB 1.440 40.577 39.000 0.227 0.000 1.194 370 F HN 0.192 nan 8.300 nan 0.000 0.443 371 L N 4.263 125.332 121.223 -0.257 0.000 2.317 371 L HA 0.488 4.823 4.340 -0.009 0.000 0.281 371 L C -0.802 175.728 176.870 -0.567 0.000 1.024 371 L CA -0.835 53.878 54.840 -0.211 0.000 0.810 371 L CB 0.917 42.866 42.059 -0.183 0.000 1.240 371 L HN 0.382 nan 8.230 nan 0.000 0.427 372 F N 3.139 123.113 119.950 0.040 0.000 2.646 372 F HA 0.392 4.914 4.527 -0.009 0.000 0.336 372 F C -2.219 173.594 175.800 0.022 0.000 1.437 372 F CA -2.040 55.967 58.000 0.011 0.000 1.142 372 F CB 0.327 39.216 39.000 -0.186 0.000 1.530 372 F HN 0.300 nan 8.300 nan 0.000 0.591 373 P HA 0.291 nan 4.420 nan 0.000 0.275 373 P C -0.185 177.167 177.300 0.086 0.000 1.227 373 P CA -0.040 63.101 63.100 0.068 0.000 0.781 373 P CB 1.196 32.890 31.700 -0.011 0.000 0.906 374 N N -0.133 118.612 118.700 0.075 0.000 2.397 374 N HA 0.068 4.802 4.740 -0.009 0.000 0.190 374 N C 0.350 175.900 175.510 0.067 0.000 1.099 374 N CA 0.303 53.398 53.050 0.075 0.000 0.876 374 N CB 0.393 38.922 38.487 0.070 0.000 1.143 374 N HN 0.476 nan 8.380 nan 0.000 0.468 375 Q N -1.183 118.655 119.800 0.064 0.000 2.991 375 Q HA 0.276 4.611 4.340 -0.009 0.000 0.322 375 Q C -1.294 174.759 176.000 0.089 0.000 0.978 375 Q CA -0.999 54.854 55.803 0.082 0.000 0.787 375 Q CB 1.108 29.900 28.738 0.090 0.000 1.492 375 Q HN 0.131 nan 8.270 nan 0.000 0.498 376 Y N 0.769 121.065 120.300 -0.007 0.000 2.721 376 Y HA 0.034 4.578 4.550 -0.009 0.000 0.329 376 Y C 0.112 175.997 175.900 -0.025 0.000 1.211 376 Y CA 0.671 58.754 58.100 -0.029 0.000 1.512 376 Y CB 0.335 38.773 38.460 -0.037 0.000 1.249 376 Y HN 0.317 nan 8.280 nan 0.000 0.549 377 V N 4.270 123.797 119.914 -0.645 0.000 3.398 377 V HA 0.076 4.190 4.120 -0.009 0.000 0.298 377 V C -0.175 175.463 176.094 -0.759 0.000 1.496 377 V CA 0.503 62.483 62.300 -0.533 0.000 1.044 377 V CB -0.501 31.188 31.823 -0.225 0.000 0.880 377 V HN 0.910 nan 8.190 nan 0.000 0.443 378 D N 0.532 120.142 120.400 -1.317 0.000 2.956 378 D HA -0.157 4.478 4.640 -0.009 0.000 0.240 378 D C 0.916 176.946 176.300 -0.451 0.000 1.141 378 D CA 0.719 54.222 54.000 -0.828 0.000 0.820 378 D CB -0.812 39.637 40.800 -0.584 0.000 0.988 378 D HN 0.139 nan 8.370 nan 0.000 0.417 379 V N 1.731 121.443 119.914 -0.336 0.000 2.332 379 V HA -0.290 3.824 4.120 -0.009 0.000 0.248 379 V C 2.762 178.736 176.094 -0.200 0.000 1.055 379 V CA 2.560 64.721 62.300 -0.231 0.000 1.038 379 V CB -0.810 30.925 31.823 -0.146 0.000 0.651 379 V HN 0.676 nan 8.190 nan 0.000 0.450 380 A N -0.057 122.648 122.820 -0.192 0.000 1.869 380 A HA -0.317 3.997 4.320 -0.009 0.000 0.218 380 A C 2.415 179.879 177.584 -0.199 0.000 1.203 380 A CA 3.033 54.975 52.037 -0.159 0.000 0.638 380 A CB -1.219 17.684 19.000 -0.161 0.000 0.831 380 A HN 0.514 nan 8.150 nan 0.000 0.450 381 T N 0.471 114.846 114.554 -0.299 0.000 2.701 381 T HA -0.043 4.301 4.350 -0.009 0.000 0.263 381 T C 1.828 176.229 174.700 -0.498 0.000 1.040 381 T CA 1.441 63.254 62.100 -0.479 0.000 1.147 381 T CB -0.443 68.042 68.868 -0.638 0.000 0.865 381 T HN 0.362 nan 8.240 nan 0.000 0.426 382 L N 1.096 122.031 121.223 -0.480 0.000 2.187 382 L HA -0.058 4.277 4.340 -0.009 0.000 0.213 382 L C 2.669 179.463 176.870 -0.126 0.000 1.100 382 L CA 0.944 55.497 54.840 -0.480 0.000 0.765 382 L CB -0.591 41.097 42.059 -0.618 0.000 0.904 382 L HN 0.273 nan 8.230 nan 0.000 0.437 383 S N -0.782 114.845 115.700 -0.122 0.000 2.562 383 S HA -0.025 4.440 4.470 -0.009 0.000 0.221 383 S C 1.884 176.473 174.600 -0.018 0.000 0.975 383 S CA 0.099 58.270 58.200 -0.048 0.000 0.918 383 S CB 0.023 63.186 63.200 -0.061 0.000 0.772 383 S HN 0.152 nan 8.310 nan 0.000 0.531 384 V N 1.267 121.175 119.914 -0.010 0.000 2.255 384 V HA -0.156 3.958 4.120 -0.009 0.000 0.247 384 V C 2.408 178.546 176.094 0.075 0.000 1.051 384 V CA 2.036 64.354 62.300 0.030 0.000 1.018 384 V CB -0.667 31.184 31.823 0.047 0.000 0.641 384 V HN 0.436 nan 8.190 nan 0.000 0.445 385 V N 1.017 121.016 119.914 0.141 0.000 2.261 385 V HA -0.148 3.966 4.120 -0.009 0.000 0.246 385 V C 0.266 176.379 176.094 0.032 0.000 1.047 385 V CA 2.589 64.948 62.300 0.098 0.000 1.015 385 V CB -2.011 29.881 31.823 0.116 0.000 0.642 385 V HN 0.537 nan 8.190 nan 0.000 0.446 386 P HA -0.238 nan 4.420 nan 0.000 0.215 386 P C 1.689 178.958 177.300 -0.051 0.000 1.153 386 P CA 1.767 64.844 63.100 -0.039 0.000 0.853 386 P CB -0.014 31.655 31.700 -0.053 0.000 0.788 387 Q N 0.068 119.839 119.800 -0.048 0.000 2.020 387 Q HA -0.118 4.216 4.340 -0.009 0.000 0.202 387 Q C 2.319 178.280 176.000 -0.064 0.000 0.982 387 Q CA 1.397 57.154 55.803 -0.075 0.000 0.838 387 Q CB -0.562 28.125 28.738 -0.084 0.000 0.899 387 Q HN 0.193 nan 8.270 nan 0.000 0.423 388 L N -0.090 121.124 121.223 -0.015 0.000 2.456 388 L HA -0.076 4.259 4.340 -0.009 0.000 0.224 388 L C 1.894 178.817 176.870 0.087 0.000 1.148 388 L CA 0.764 55.637 54.840 0.054 0.000 0.825 388 L CB -0.048 42.091 42.059 0.133 0.000 0.937 388 L HN 0.232 nan 8.230 nan 0.000 0.450 389 T N -1.085 113.486 114.554 0.028 0.000 3.086 389 T HA 0.181 4.525 4.350 -0.009 0.000 0.250 389 T C 1.341 176.044 174.700 0.005 0.000 1.074 389 T CA 0.771 62.878 62.100 0.012 0.000 0.988 389 T CB 0.288 69.140 68.868 -0.026 0.000 0.988 389 T HN 0.585 nan 8.240 nan 0.000 0.530 390 G N 0.835 109.636 108.800 0.002 0.000 2.179 390 G HA2 -0.173 3.781 3.960 -0.009 0.000 0.260 390 G HA3 -0.173 3.781 3.960 -0.009 0.000 0.260 390 G C 0.504 175.369 174.900 -0.058 0.000 0.977 390 G CA -0.006 45.091 45.100 -0.004 0.000 0.641 390 G HN 0.831 nan 8.290 nan 0.000 0.533 391 G N -0.457 108.292 108.800 -0.085 0.000 2.621 391 G HA2 0.599 4.553 3.960 -0.009 0.000 0.271 391 G HA3 0.599 4.553 3.960 -0.009 0.000 0.271 391 G C 0.185 175.000 174.900 -0.141 0.000 1.236 391 G CA 0.685 45.710 45.100 -0.125 0.000 0.958 391 G HN 0.938 nan 8.290 nan 0.000 0.512 392 S N -1.953 113.645 115.700 -0.169 0.000 2.607 392 S HA 0.649 5.113 4.470 -0.009 0.000 0.303 392 S C -0.596 173.802 174.600 -0.337 0.000 1.086 392 S CA -0.559 57.478 58.200 -0.272 0.000 0.995 392 S CB 2.039 65.053 63.200 -0.309 0.000 1.084 392 S HN 0.478 nan 8.310 nan 0.000 0.507 393 V N 2.116 121.762 119.914 -0.446 0.000 2.604 393 V HA 0.525 4.640 4.120 -0.009 0.000 0.305 393 V C -1.628 174.198 176.094 -0.447 0.000 1.043 393 V CA -0.626 61.487 62.300 -0.312 0.000 0.888 393 V CB 1.047 32.821 31.823 -0.082 0.000 0.995 393 V HN 0.864 nan 8.190 nan 0.000 0.429 394 Y N 2.568 122.694 120.300 -0.290 0.000 2.425 394 Y HA 0.675 5.220 4.550 -0.008 0.000 0.344 394 Y C -0.001 175.525 175.900 -0.622 0.000 0.969 394 Y CA -0.742 57.155 58.100 -0.338 0.000 1.052 394 Y CB 2.199 40.426 38.460 -0.388 0.000 1.215 394 Y HN 0.477 nan 8.280 nan 0.000 0.451 395 K N 2.501 122.404 120.400 -0.829 0.000 2.468 395 K HA 0.524 4.838 4.320 -0.009 0.000 0.252 395 K C -2.204 173.765 176.600 -1.051 0.000 0.932 395 K CA -0.839 54.853 56.287 -0.992 0.000 0.794 395 K CB 1.252 33.004 32.500 -1.247 0.000 1.241 395 K HN 0.702 nan 8.250 nan 0.000 0.428 396 Y N 1.771 121.911 120.300 -0.267 0.000 2.681 396 Y HA 0.356 4.901 4.550 -0.008 0.000 0.347 396 Y C 0.100 176.024 175.900 0.040 0.000 1.029 396 Y CA -0.860 57.220 58.100 -0.034 0.000 1.279 396 Y CB 1.449 39.956 38.460 0.078 0.000 1.096 396 Y HN 0.610 nan 8.280 nan 0.000 0.580 397 A N 1.000 123.872 122.820 0.086 0.000 2.511 397 A HA 0.365 4.679 4.320 -0.009 0.000 0.242 397 A C 1.141 178.821 177.584 0.159 0.000 1.069 397 A CA 0.564 52.656 52.037 0.090 0.000 0.763 397 A CB -0.190 18.837 19.000 0.046 0.000 1.001 397 A HN 0.955 nan 8.150 nan 0.000 0.498 398 S N 0.158 115.949 115.700 0.153 0.000 3.533 398 S HA -0.208 4.256 4.470 -0.009 0.000 0.347 398 S C 0.098 174.808 174.600 0.183 0.000 1.101 398 S CA 0.948 59.233 58.200 0.142 0.000 1.009 398 S CB -2.133 61.122 63.200 0.091 0.000 0.916 398 S HN 1.291 nan 8.310 nan 0.000 0.496 399 F N 2.179 122.198 119.950 0.115 0.000 2.594 399 F HA 0.107 4.629 4.527 -0.010 0.000 0.384 399 F C 0.684 176.511 175.800 0.045 0.000 1.060 399 F CA 1.073 59.145 58.000 0.121 0.000 1.278 399 F CB 0.361 39.486 39.000 0.209 0.000 0.977 399 F HN 0.376 nan 8.300 nan 0.000 0.576 400 Q N 4.314 123.649 119.800 -0.774 0.000 2.295 400 Q HA 0.252 4.587 4.340 -0.009 0.000 0.268 400 Q C 0.265 175.732 176.000 -0.889 0.000 1.010 400 Q CA -0.797 54.638 55.803 -0.612 0.000 0.856 400 Q CB 2.095 30.676 28.738 -0.263 0.000 1.349 400 Q HN 0.530 nan 8.270 nan 0.000 0.412 401 V N 1.798 121.305 119.914 -0.679 0.000 2.469 401 V HA -0.293 3.822 4.120 -0.009 0.000 0.251 401 V C 1.325 177.256 176.094 -0.272 0.000 1.064 401 V CA 2.256 64.290 62.300 -0.443 0.000 1.066 401 V CB -0.327 31.384 31.823 -0.187 0.000 0.667 401 V HN 0.730 nan 8.190 nan 0.000 0.461 402 E N 0.867 120.935 120.200 -0.219 0.000 2.153 402 E HA -0.159 4.185 4.350 -0.009 0.000 0.194 402 E C 1.837 178.365 176.600 -0.119 0.000 0.988 402 E CA 1.518 57.837 56.400 -0.135 0.000 0.811 402 E CB -0.263 29.375 29.700 -0.104 0.000 0.746 402 E HN 0.663 nan 8.360 nan 0.000 0.466 403 N N -0.094 118.512 118.700 -0.156 0.000 2.348 403 N HA 0.003 4.738 4.740 -0.009 0.000 0.183 403 N C 0.187 175.654 175.510 -0.073 0.000 1.094 403 N CA 0.563 53.559 53.050 -0.089 0.000 0.885 403 N CB 0.568 39.020 38.487 -0.058 0.000 1.065 403 N HN 0.124 nan 8.380 nan 0.000 0.472 404 D N 0.273 120.573 120.400 -0.168 0.000 2.469 404 D HA 0.013 4.648 4.640 -0.009 0.000 0.213 404 D C 1.444 177.750 176.300 0.010 0.000 1.135 404 D CA -0.062 53.909 54.000 -0.049 0.000 0.834 404 D CB 0.791 41.610 40.800 0.031 0.000 1.009 404 D HN 0.204 nan 8.370 nan 0.000 0.507 405 Q N 1.180 120.948 119.800 -0.054 0.000 2.029 405 Q HA -0.218 4.116 4.340 -0.009 0.000 0.209 405 Q C 1.512 177.494 176.000 -0.030 0.000 0.999 405 Q CA 1.514 57.331 55.803 0.023 0.000 0.857 405 Q CB 0.306 29.024 28.738 -0.032 0.000 0.926 405 Q HN 0.079 nan 8.270 nan 0.000 0.415 406 E N 0.219 120.351 120.200 -0.112 0.000 2.038 406 E HA -0.226 4.118 4.350 -0.009 0.000 0.195 406 E C 1.986 178.289 176.600 -0.495 0.000 1.000 406 E CA 1.241 57.495 56.400 -0.243 0.000 0.803 406 E CB -0.397 29.188 29.700 -0.192 0.000 0.750 406 E HN 0.352 nan 8.360 nan 0.000 0.448 407 R N -0.166 120.012 120.500 -0.537 0.000 2.070 407 R HA -0.158 4.177 4.340 -0.009 0.000 0.233 407 R C 2.414 178.660 176.300 -0.090 0.000 1.137 407 R CA 1.463 57.206 56.100 -0.594 0.000 0.945 407 R CB -0.475 29.802 30.300 -0.039 0.000 0.845 407 R HN 0.146 nan 8.270 nan 0.000 0.430 408 F N 1.506 121.347 119.950 -0.182 0.000 2.069 408 F HA -0.191 4.330 4.527 -0.010 0.000 0.298 408 F C 1.787 177.505 175.800 -0.136 0.000 1.113 408 F CA 1.567 59.397 58.000 -0.283 0.000 1.214 408 F CB -0.666 38.060 39.000 -0.458 0.000 0.978 408 F HN 0.021 nan 8.300 nan 0.000 0.474 409 L N -0.636 120.304 121.223 -0.471 0.000 2.079 409 L HA -0.246 4.088 4.340 -0.009 0.000 0.210 409 L C 2.776 179.432 176.870 -0.356 0.000 1.081 409 L CA 1.664 56.169 54.840 -0.558 0.000 0.752 409 L CB -1.097 40.756 42.059 -0.344 0.000 0.896 409 L HN 0.285 nan 8.230 nan 0.000 0.433 410 S N -0.361 115.191 115.700 -0.246 0.000 2.356 410 S HA -0.191 4.273 4.470 -0.009 0.000 0.223 410 S C 1.599 176.196 174.600 -0.005 0.000 1.032 410 S CA 1.514 59.650 58.200 -0.106 0.000 1.005 410 S CB -0.144 63.015 63.200 -0.068 0.000 0.867 410 S HN 0.408 nan 8.310 nan 0.000 0.449 411 D N 1.108 121.544 120.400 0.060 0.000 2.097 411 D HA -0.090 4.544 4.640 -0.009 0.000 0.195 411 D C 1.965 178.281 176.300 0.026 0.000 0.989 411 D CA 0.979 55.075 54.000 0.160 0.000 0.827 411 D CB -0.635 40.367 40.800 0.337 0.000 0.966 411 D HN 0.351 nan 8.370 nan 0.000 0.456 412 L N 1.406 122.548 121.223 -0.136 0.000 1.989 412 L HA -0.164 4.170 4.340 -0.009 0.000 0.211 412 L C 2.273 179.066 176.870 -0.130 0.000 1.071 412 L CA 1.740 56.436 54.840 -0.240 0.000 0.749 412 L CB -0.407 41.238 42.059 -0.689 0.000 0.890 412 L HN -0.146 nan 8.230 nan 0.000 0.431 413 R N -0.902 119.495 120.500 -0.172 0.000 2.091 413 R HA -0.180 4.155 4.340 -0.009 0.000 0.238 413 R C 2.510 178.800 176.300 -0.016 0.000 1.136 413 R CA 1.798 57.827 56.100 -0.118 0.000 0.959 413 R CB -0.446 29.757 30.300 -0.161 0.000 0.856 413 R HN 0.384 nan 8.270 nan 0.000 0.437 414 R N 0.525 121.043 120.500 0.030 0.000 2.115 414 R HA -0.144 4.191 4.340 -0.009 0.000 0.230 414 R C 1.523 177.915 176.300 0.152 0.000 1.111 414 R CA 1.876 58.032 56.100 0.094 0.000 0.976 414 R CB -0.101 30.274 30.300 0.126 0.000 0.870 414 R HN 0.127 nan 8.270 nan 0.000 0.445 415 D N -0.641 119.870 120.400 0.185 0.000 2.103 415 D HA -0.103 4.531 4.640 -0.009 0.000 0.199 415 D C 1.760 178.227 176.300 0.279 0.000 0.978 415 D CA 1.066 55.236 54.000 0.284 0.000 0.829 415 D CB 0.187 41.223 40.800 0.394 0.000 0.981 415 D HN 0.042 nan 8.370 nan 0.000 0.464 416 V N 0.250 120.275 119.914 0.185 0.000 2.626 416 V HA -0.164 3.950 4.120 -0.009 0.000 0.252 416 V C 2.128 178.403 176.094 0.302 0.000 1.067 416 V CA 1.540 63.940 62.300 0.166 0.000 1.081 416 V CB -0.400 31.457 31.823 0.057 0.000 0.686 416 V HN 0.292 nan 8.190 nan 0.000 0.468 417 Q N 0.087 120.021 119.800 0.223 0.000 2.402 417 Q HA 0.038 4.372 4.340 -0.009 0.000 0.206 417 Q C 0.919 177.050 176.000 0.218 0.000 0.919 417 Q CA -0.040 55.900 55.803 0.227 0.000 0.923 417 Q CB 0.190 29.018 28.738 0.150 0.000 1.048 417 Q HN 0.721 nan 8.270 nan 0.000 0.515 418 K N 0.747 121.269 120.400 0.204 0.000 2.440 418 K HA 0.119 4.433 4.320 -0.009 0.000 0.270 418 K C 0.117 176.825 176.600 0.180 0.000 0.980 418 K CA -0.317 56.071 56.287 0.169 0.000 0.953 418 K CB 0.829 33.419 32.500 0.150 0.000 0.925 418 K HN -0.144 nan 8.250 nan 0.000 0.497 419 V N 3.027 123.024 119.914 0.138 0.000 2.572 419 V HA 0.228 4.343 4.120 -0.009 0.000 0.291 419 V C -0.284 175.865 176.094 0.092 0.000 1.039 419 V CA -0.198 62.182 62.300 0.133 0.000 1.055 419 V CB 0.536 32.424 31.823 0.108 0.000 0.969 419 V HN 0.638 nan 8.190 nan 0.000 0.482 420 V N 4.111 124.082 119.914 0.095 0.000 3.040 420 V HA 1.047 5.162 4.120 -0.009 0.000 0.312 420 V C 0.219 176.235 176.094 -0.130 0.000 1.115 420 V CA -0.102 62.150 62.300 -0.081 0.000 0.998 420 V CB 1.401 33.105 31.823 -0.198 0.000 1.042 420 V HN 1.150 nan 8.190 nan 0.000 0.433 421 G N 0.742 109.368 108.800 -0.291 0.000 2.473 421 G HA2 0.815 4.770 3.960 -0.009 0.000 0.321 421 G HA3 0.815 4.770 3.960 -0.009 0.000 0.321 421 G C -1.664 173.078 174.900 -0.264 0.000 1.200 421 G CA -0.728 44.339 45.100 -0.055 0.000 0.963 421 G HN 0.626 nan 8.290 nan 0.000 0.483 422 F N -0.916 119.180 119.950 0.244 0.000 2.603 422 F HA 0.386 4.908 4.527 -0.010 0.000 0.317 422 F C 0.308 176.202 175.800 0.156 0.000 1.066 422 F CA -0.638 57.464 58.000 0.170 0.000 0.941 422 F CB 2.243 41.336 39.000 0.155 0.000 1.291 422 F HN 0.567 nan 8.300 nan 0.000 0.472 423 D N 1.361 121.948 120.400 0.312 0.000 2.755 423 D HA -0.136 4.499 4.640 -0.009 0.000 0.227 423 D C -0.738 175.674 176.300 0.186 0.000 1.211 423 D CA 0.804 54.924 54.000 0.201 0.000 0.663 423 D CB -0.528 40.379 40.800 0.178 0.000 0.983 423 D HN 0.823 nan 8.370 nan 0.000 0.407 424 A N 0.002 122.923 122.820 0.169 0.000 2.299 424 A HA 0.837 5.151 4.320 -0.009 0.000 0.332 424 A C -0.090 177.559 177.584 0.109 0.000 1.131 424 A CA -0.039 52.096 52.037 0.163 0.000 0.844 424 A CB 1.973 21.079 19.000 0.177 0.000 1.251 424 A HN 0.923 nan 8.150 nan 0.000 0.486 425 V N -1.260 118.714 119.914 0.099 0.000 2.888 425 V HA 0.828 4.943 4.120 -0.009 0.000 0.309 425 V C -0.661 175.457 176.094 0.040 0.000 1.114 425 V CA -0.675 61.658 62.300 0.055 0.000 0.940 425 V CB 1.522 33.380 31.823 0.059 0.000 1.021 425 V HN 1.143 nan 8.190 nan 0.000 0.426 426 M N 3.794 123.388 119.600 -0.011 0.000 2.457 426 M HA 0.735 5.210 4.480 -0.009 0.000 0.300 426 M C -1.102 175.183 176.300 -0.026 0.000 1.141 426 M CA -0.636 54.659 55.300 -0.009 0.000 0.901 426 M CB 2.402 34.991 32.600 -0.018 0.000 1.687 426 M HN 1.000 nan 8.290 nan 0.000 0.449 427 R N 2.888 123.402 120.500 0.023 0.000 2.725 427 R HA 0.768 5.103 4.340 -0.009 0.000 0.277 427 R C -2.187 174.165 176.300 0.087 0.000 0.987 427 R CA -0.645 55.481 56.100 0.043 0.000 0.901 427 R CB 2.483 32.814 30.300 0.051 0.000 1.207 427 R HN 0.603 nan 8.270 nan 0.000 0.463 428 V N 4.422 124.418 119.914 0.136 0.000 2.378 428 V HA 0.498 4.613 4.120 -0.009 0.000 0.288 428 V C -0.099 176.085 176.094 0.150 0.000 1.016 428 V CA -0.793 61.608 62.300 0.169 0.000 0.840 428 V CB 1.449 33.438 31.823 0.277 0.000 0.994 428 V HN 0.694 nan 8.190 nan 0.000 0.431 429 R N 2.508 123.042 120.500 0.055 0.000 2.486 429 R HA 0.767 5.101 4.340 -0.009 0.000 0.286 429 R C 0.013 176.334 176.300 0.037 0.000 0.999 429 R CA -0.431 55.663 56.100 -0.010 0.000 0.993 429 R CB 1.955 32.139 30.300 -0.193 0.000 1.084 429 R HN 0.848 nan 8.270 nan 0.000 0.487 430 T N -2.077 112.535 114.554 0.096 0.000 2.906 430 T HA 0.344 4.689 4.350 -0.009 0.000 0.295 430 T C 0.182 175.016 174.700 0.223 0.000 1.075 430 T CA -1.030 61.149 62.100 0.132 0.000 1.005 430 T CB 1.593 70.440 68.868 -0.035 0.000 1.136 430 T HN 0.575 nan 8.240 nan 0.000 0.498 431 S N 1.098 116.901 115.700 0.171 0.000 2.580 431 S HA 0.273 4.737 4.470 -0.009 0.000 0.266 431 S C 0.336 174.961 174.600 0.042 0.000 1.354 431 S CA -0.590 57.666 58.200 0.093 0.000 1.008 431 S CB -0.444 62.709 63.200 -0.078 0.000 0.898 431 S HN 0.847 nan 8.310 nan 0.000 0.555 432 T N 1.923 116.501 114.554 0.041 0.000 2.902 432 T HA 0.498 4.842 4.350 -0.009 0.000 0.301 432 T C 1.455 176.154 174.700 -0.002 0.000 1.012 432 T CA 0.700 62.815 62.100 0.026 0.000 1.151 432 T CB 0.231 69.118 68.868 0.030 0.000 0.946 432 T HN 1.350 nan 8.240 nan 0.000 0.542 433 G N 2.566 111.364 108.800 -0.003 0.000 2.797 433 G HA2 -0.093 3.862 3.960 -0.009 0.000 0.195 433 G HA3 -0.093 3.862 3.960 -0.009 0.000 0.195 433 G C -0.011 174.849 174.900 -0.067 0.000 1.026 433 G CA -0.077 45.018 45.100 -0.009 0.000 0.759 433 G HN 0.934 nan 8.290 nan 0.000 0.475 434 I N -1.655 118.853 120.570 -0.104 0.000 3.191 434 I HA 0.968 5.133 4.170 -0.009 0.000 0.313 434 I C -0.751 175.357 176.117 -0.016 0.000 1.193 434 I CA -1.644 59.569 61.300 -0.144 0.000 0.968 434 I CB 2.314 40.130 38.000 -0.307 0.000 1.262 434 I HN 0.469 nan 8.210 nan 0.000 0.456 435 R N 2.377 122.927 120.500 0.083 0.000 2.690 435 R HA 0.754 5.088 4.340 -0.009 0.000 0.269 435 R C -1.508 174.965 176.300 0.288 0.000 1.037 435 R CA -0.816 55.398 56.100 0.191 0.000 0.877 435 R CB 1.410 31.778 30.300 0.112 0.000 1.255 435 R HN 0.936 nan 8.270 nan 0.000 0.467 436 A N 1.269 124.245 122.820 0.259 0.000 2.520 436 A HA 0.378 4.693 4.320 -0.009 0.000 0.245 436 A C 0.424 177.916 177.584 -0.154 0.000 1.072 436 A CA -0.221 51.715 52.037 -0.168 0.000 0.761 436 A CB 0.648 19.586 19.000 -0.103 0.000 1.004 436 A HN 0.533 nan 8.150 nan 0.000 0.499 437 V N 1.761 121.463 119.914 -0.354 0.000 3.250 437 V HA 0.161 4.276 4.120 -0.009 0.000 0.240 437 V C 0.325 176.292 176.094 -0.212 0.000 1.275 437 V CA 0.807 63.013 62.300 -0.157 0.000 1.206 437 V CB 0.359 32.142 31.823 -0.066 0.000 0.976 437 V HN 0.879 nan 8.190 nan 0.000 0.467 438 D N -1.120 118.984 120.400 -0.492 0.000 2.527 438 D HA 0.548 5.183 4.640 -0.009 0.000 0.233 438 D C -1.691 174.093 176.300 -0.861 0.000 1.063 438 D CA -0.191 53.569 54.000 -0.401 0.000 0.880 438 D CB 2.494 43.265 40.800 -0.049 0.000 1.457 438 D HN 0.050 nan 8.370 nan 0.000 0.475 439 F N 1.105 120.823 119.950 -0.385 0.000 2.569 439 F HA 0.530 5.052 4.527 -0.009 0.000 0.312 439 F C -0.612 175.012 175.800 -0.293 0.000 1.109 439 F CA -0.852 57.034 58.000 -0.191 0.000 0.919 439 F CB 1.562 40.463 39.000 -0.166 0.000 1.211 439 F HN 0.080 nan 8.300 nan 0.000 0.446 440 F N 0.957 121.201 119.950 0.491 0.000 2.569 440 F HA 0.866 5.388 4.527 -0.009 0.000 0.312 440 F C 0.331 176.328 175.800 0.328 0.000 1.109 440 F CA -1.037 57.139 58.000 0.293 0.000 0.919 440 F CB 2.175 41.254 39.000 0.131 0.000 1.211 440 F HN 0.739 nan 8.300 nan 0.000 0.446 441 G N 0.654 109.510 108.800 0.094 0.000 2.350 441 G HA2 0.493 4.448 3.960 -0.009 0.000 0.282 441 G HA3 0.493 4.448 3.960 -0.009 0.000 0.282 441 G C -2.142 172.452 174.900 -0.510 0.000 1.314 441 G CA -0.364 44.731 45.100 -0.009 0.000 0.915 441 G HN 0.948 nan 8.290 nan 0.000 0.499 442 A N 0.232 122.906 122.820 -0.243 0.000 2.341 442 A HA 0.918 5.232 4.320 -0.009 0.000 0.326 442 A C -0.285 177.236 177.584 -0.105 0.000 1.402 442 A CA 0.265 52.149 52.037 -0.255 0.000 0.957 442 A CB -0.806 18.127 19.000 -0.111 0.000 1.151 442 A HN 2.111 nan 8.150 nan 0.000 0.533 443 F N -0.056 119.908 119.950 0.023 0.000 3.397 443 F HA 0.691 5.213 4.527 -0.009 0.000 0.327 443 F C -1.437 174.411 175.800 0.080 0.000 1.143 443 F CA -1.862 56.162 58.000 0.039 0.000 0.864 443 F CB 0.696 39.704 39.000 0.014 0.000 1.530 443 F HN 0.361 nan 8.300 nan 0.000 0.498 444 Y N 1.548 122.090 120.300 0.403 0.000 2.457 444 Y HA 0.801 5.345 4.550 -0.009 0.000 0.343 444 Y C -1.609 174.388 175.900 0.161 0.000 0.994 444 Y CA -1.349 56.879 58.100 0.213 0.000 1.031 444 Y CB 2.100 40.613 38.460 0.088 0.000 1.246 444 Y HN 0.706 nan 8.280 nan 0.000 0.449 445 M N 4.569 123.775 119.600 -0.656 0.000 2.386 445 M HA 0.327 4.801 4.480 -0.009 0.000 0.293 445 M C -0.300 175.662 176.300 -0.562 0.000 1.120 445 M CA -0.498 54.525 55.300 -0.461 0.000 0.909 445 M CB 2.533 34.938 32.600 -0.324 0.000 1.661 445 M HN 0.722 nan 8.290 nan 0.000 0.452 446 S N 0.788 116.347 115.700 -0.235 0.000 2.510 446 S HA 0.101 4.565 4.470 -0.009 0.000 0.230 446 S C 0.681 175.224 174.600 -0.094 0.000 1.066 446 S CA 0.138 58.280 58.200 -0.097 0.000 0.941 446 S CB 0.151 63.392 63.200 0.069 0.000 0.829 446 S HN 0.852 nan 8.310 nan 0.000 0.530 447 N N 1.564 120.203 118.700 -0.102 0.000 2.752 447 N HA 0.126 4.861 4.740 -0.009 0.000 0.316 447 N C 0.005 175.432 175.510 -0.139 0.000 1.343 447 N CA 0.243 53.240 53.050 -0.088 0.000 0.875 447 N CB -0.177 38.271 38.487 -0.064 0.000 1.120 447 N HN 0.169 nan 8.380 nan 0.000 0.562 448 T N -4.942 109.551 114.554 -0.102 0.000 3.266 448 T HA 0.226 4.571 4.350 -0.009 0.000 0.278 448 T C 0.718 175.352 174.700 -0.110 0.000 1.010 448 T CA 0.277 62.323 62.100 -0.090 0.000 0.909 448 T CB -0.941 67.960 68.868 0.055 0.000 1.122 448 T HN 0.764 nan 8.240 nan 0.000 0.536 449 T N -2.886 111.544 114.554 -0.207 0.000 3.051 449 T HA 0.211 4.556 4.350 -0.009 0.000 0.254 449 T C -0.301 174.244 174.700 -0.257 0.000 0.916 449 T CA -0.138 61.874 62.100 -0.146 0.000 0.894 449 T CB 0.241 69.090 68.868 -0.031 0.000 1.251 449 T HN 0.159 nan 8.240 nan 0.000 0.517 450 D N 2.687 122.923 120.400 -0.272 0.000 2.380 450 D HA 0.399 5.033 4.640 -0.009 0.000 0.230 450 D C -0.562 175.531 176.300 -0.345 0.000 1.154 450 D CA -0.079 53.783 54.000 -0.229 0.000 0.859 450 D CB 1.957 42.694 40.800 -0.106 0.000 1.045 450 D HN 0.186 nan 8.370 nan 0.000 0.495 451 V N 3.770 123.454 119.914 -0.383 0.000 2.356 451 V HA 0.046 4.161 4.120 -0.009 0.000 0.258 451 V C 0.679 176.661 176.094 -0.188 0.000 1.065 451 V CA -0.387 61.619 62.300 -0.492 0.000 0.935 451 V CB 0.207 31.696 31.823 -0.556 0.000 1.061 451 V HN 0.294 nan 8.190 nan 0.000 0.484 452 E N 5.481 125.650 120.200 -0.052 0.000 2.152 452 E HA 0.420 4.765 4.350 -0.009 0.000 0.285 452 E C -0.864 175.818 176.600 0.136 0.000 1.043 452 E CA -0.332 56.116 56.400 0.080 0.000 0.839 452 E CB 1.255 31.058 29.700 0.172 0.000 1.069 452 E HN 0.552 nan 8.360 nan 0.000 0.399 453 L N 3.081 124.363 121.223 0.099 0.000 2.356 453 L HA 0.291 4.625 4.340 -0.009 0.000 0.264 453 L C 1.142 178.061 176.870 0.082 0.000 1.029 453 L CA -0.314 54.587 54.840 0.102 0.000 0.897 453 L CB 1.117 43.219 42.059 0.071 0.000 1.256 453 L HN 0.674 nan 8.230 nan 0.000 0.444 454 A N 2.561 125.426 122.820 0.075 0.000 1.917 454 A HA 0.069 4.384 4.320 -0.009 0.000 0.219 454 A C 1.150 178.767 177.584 0.056 0.000 1.182 454 A CA 1.715 53.789 52.037 0.063 0.000 0.633 454 A CB -0.358 18.660 19.000 0.031 0.000 0.819 454 A HN 0.675 nan 8.150 nan 0.000 0.448 455 G N -2.501 106.300 108.800 0.001 0.000 2.605 455 G HA2 0.580 4.534 3.960 -0.009 0.000 0.296 455 G HA3 0.580 4.534 3.960 -0.009 0.000 0.296 455 G C -1.535 173.315 174.900 -0.083 0.000 1.304 455 G CA -0.304 44.745 45.100 -0.085 0.000 0.941 455 G HN 0.740 nan 8.290 nan 0.000 0.475 456 L N 0.304 121.439 121.223 -0.147 0.000 2.582 456 L HA 0.722 5.056 4.340 -0.009 0.000 0.257 456 L C -1.612 175.178 176.870 -0.133 0.000 0.974 456 L CA -0.564 54.211 54.840 -0.109 0.000 0.851 456 L CB 2.511 44.509 42.059 -0.102 0.000 1.424 456 L HN 0.920 nan 8.230 nan 0.000 0.412 457 D N 0.836 121.189 120.400 -0.079 0.000 2.798 457 D HA 0.535 5.170 4.640 -0.009 0.000 0.308 457 D C 0.401 176.689 176.300 -0.020 0.000 1.187 457 D CA -0.044 53.928 54.000 -0.047 0.000 1.033 457 D CB 1.002 41.795 40.800 -0.012 0.000 1.445 457 D HN 0.599 nan 8.370 nan 0.000 0.550 458 G N -1.383 107.423 108.800 0.010 0.000 3.088 458 G HA2 0.050 4.004 3.960 -0.009 0.000 0.212 458 G HA3 0.050 4.004 3.960 -0.009 0.000 0.212 458 G C 0.087 175.000 174.900 0.022 0.000 1.173 458 G CA 0.131 45.246 45.100 0.026 0.000 0.779 458 G HN 0.382 nan 8.290 nan 0.000 0.540 459 D N 0.157 120.565 120.400 0.013 0.000 2.615 459 D HA 0.062 4.697 4.640 -0.009 0.000 0.259 459 D C 0.897 177.194 176.300 -0.005 0.000 0.999 459 D CA 0.224 54.226 54.000 0.003 0.000 0.938 459 D CB 0.186 40.987 40.800 0.001 0.000 1.121 459 D HN -0.047 nan 8.370 nan 0.000 0.487 460 K N 1.279 121.675 120.400 -0.007 0.000 2.559 460 K HA 0.104 4.419 4.320 -0.009 0.000 0.279 460 K C 0.238 176.855 176.600 0.028 0.000 0.967 460 K CA 0.592 56.879 56.287 -0.000 0.000 1.000 460 K CB 0.441 32.941 32.500 0.001 0.000 0.890 460 K HN -0.009 nan 8.250 nan 0.000 0.501 461 T N 1.037 115.620 114.554 0.048 0.000 2.893 461 T HA 0.441 4.786 4.350 -0.009 0.000 0.293 461 T C -1.275 173.511 174.700 0.143 0.000 1.027 461 T CA -0.625 61.521 62.100 0.077 0.000 0.988 461 T CB 1.340 70.241 68.868 0.055 0.000 1.043 461 T HN 0.146 nan 8.240 nan 0.000 0.461 462 V N 3.962 123.975 119.914 0.165 0.000 2.444 462 V HA 0.489 4.604 4.120 -0.009 0.000 0.294 462 V C 0.069 176.294 176.094 0.218 0.000 1.022 462 V CA -0.685 61.766 62.300 0.250 0.000 0.850 462 V CB 1.939 33.873 31.823 0.184 0.000 0.992 462 V HN 0.995 nan 8.190 nan 0.000 0.426 463 T N 4.748 119.480 114.554 0.297 0.000 2.767 463 T HA 0.615 4.959 4.350 -0.009 0.000 0.284 463 T C -0.327 174.513 174.700 0.235 0.000 0.973 463 T CA -0.342 61.914 62.100 0.260 0.000 0.996 463 T CB 1.460 70.510 68.868 0.302 0.000 0.927 463 T HN 0.356 nan 8.240 nan 0.000 0.456 464 V N 3.257 123.162 119.914 -0.016 0.000 2.540 464 V HA 0.441 4.556 4.120 -0.009 0.000 0.302 464 V C 0.093 175.826 176.094 -0.603 0.000 1.035 464 V CA -0.938 61.097 62.300 -0.441 0.000 0.873 464 V CB 1.869 33.328 31.823 -0.605 0.000 0.992 464 V HN 0.839 nan 8.190 nan 0.000 0.428 465 E N 3.013 122.857 120.200 -0.594 0.000 2.231 465 E HA 0.616 4.960 4.350 -0.009 0.000 0.277 465 E C -1.693 174.486 176.600 -0.701 0.000 0.999 465 E CA -0.457 55.656 56.400 -0.479 0.000 0.827 465 E CB 1.344 30.976 29.700 -0.112 0.000 1.101 465 E HN 0.514 nan 8.360 nan 0.000 0.393 466 F N 2.002 121.839 119.950 -0.188 0.000 2.538 466 F HA 0.536 5.057 4.527 -0.009 0.000 0.325 466 F C 0.384 176.101 175.800 -0.139 0.000 1.066 466 F CA -0.773 57.127 58.000 -0.168 0.000 0.946 466 F CB 1.869 40.762 39.000 -0.179 0.000 1.199 466 F HN 0.201 nan 8.300 nan 0.000 0.473 467 K N -0.156 120.292 120.400 0.081 0.000 2.509 467 K HA 0.425 4.740 4.320 -0.009 0.000 0.266 467 K C -1.636 174.955 176.600 -0.015 0.000 0.987 467 K CA -1.234 55.084 56.287 0.051 0.000 0.868 467 K CB 2.095 34.635 32.500 0.067 0.000 1.421 467 K HN 0.561 nan 8.250 nan 0.000 0.444 468 H N 0.819 119.903 119.070 0.023 0.000 2.562 468 H HA 0.056 4.607 4.556 -0.009 0.000 0.352 468 H C 0.176 175.517 175.328 0.020 0.000 1.125 468 H CA 0.407 56.464 56.048 0.015 0.000 1.379 468 H CB 0.815 30.577 29.762 0.000 0.000 1.464 468 H HN 0.666 nan 8.280 nan 0.000 0.563 469 D N -0.199 120.272 120.400 0.118 0.000 2.486 469 D HA 0.077 4.711 4.640 -0.009 0.000 0.243 469 D C -0.142 176.203 176.300 0.075 0.000 1.146 469 D CA 0.118 54.166 54.000 0.079 0.000 0.821 469 D CB 0.959 41.790 40.800 0.052 0.000 1.201 469 D HN 0.490 nan 8.370 nan 0.000 0.525 470 D N -0.276 120.183 120.400 0.098 0.000 2.851 470 D HA 0.237 4.872 4.640 -0.009 0.000 0.339 470 D C -1.446 174.919 176.300 0.109 0.000 1.347 470 D CA -0.658 53.388 54.000 0.077 0.000 0.888 470 D CB 1.749 42.579 40.800 0.049 0.000 1.431 470 D HN -0.111 nan 8.370 nan 0.000 0.509 471 R N 1.061 121.602 120.500 0.069 0.000 2.357 471 R HA 0.556 4.891 4.340 -0.009 0.000 0.296 471 R C -0.507 175.831 176.300 0.063 0.000 1.052 471 R CA -0.453 55.686 56.100 0.065 0.000 0.988 471 R CB 0.413 30.729 30.300 0.027 0.000 1.025 471 R HN 0.426 nan 8.270 nan 0.000 0.469 472 L N 2.458 123.726 121.223 0.076 0.000 2.416 472 L HA 0.446 4.781 4.340 -0.009 0.000 0.263 472 L C 0.033 176.913 176.870 0.018 0.000 1.065 472 L CA -1.115 53.749 54.840 0.040 0.000 0.798 472 L CB 1.147 43.236 42.059 0.050 0.000 1.267 472 L HN 0.646 nan 8.230 nan 0.000 0.467 473 N N 0.199 118.899 118.700 -0.000 0.000 2.295 473 N HA 0.114 4.848 4.740 -0.009 0.000 0.293 473 N C 0.245 175.748 175.510 -0.011 0.000 1.040 473 N CA -0.392 52.656 53.050 -0.004 0.000 0.840 473 N CB 2.576 41.059 38.487 -0.006 0.000 1.468 473 N HN 0.641 nan 8.380 nan 0.000 0.478 474 E N 2.109 122.305 120.200 -0.006 0.000 2.038 474 E HA -0.258 4.087 4.350 -0.009 0.000 0.195 474 E C 1.084 177.678 176.600 -0.010 0.000 1.000 474 E CA 1.836 58.232 56.400 -0.007 0.000 0.803 474 E CB 0.269 29.968 29.700 -0.002 0.000 0.750 474 E HN 0.702 nan 8.360 nan 0.000 0.448 475 E N 0.137 120.333 120.200 -0.007 0.000 2.097 475 E HA -0.193 4.152 4.350 -0.009 0.000 0.196 475 E C 2.089 178.681 176.600 -0.012 0.000 1.000 475 E CA 1.889 58.286 56.400 -0.005 0.000 0.804 475 E CB -0.214 29.485 29.700 -0.001 0.000 0.740 475 E HN 0.048 nan 8.360 nan 0.000 0.454 476 S N 0.067 115.754 115.700 -0.021 0.000 2.348 476 S HA 0.254 4.719 4.470 -0.009 0.000 0.219 476 S C 1.232 175.794 174.600 -0.062 0.000 1.033 476 S CA 0.526 58.704 58.200 -0.037 0.000 0.974 476 S CB -0.442 62.735 63.200 -0.039 0.000 0.868 476 S HN 0.760 nan 8.310 nan 0.000 0.459 477 G N 1.019 109.782 108.800 -0.062 0.000 2.508 477 G HA2 0.269 4.223 3.960 -0.009 0.000 0.220 477 G HA3 0.269 4.223 3.960 -0.009 0.000 0.220 477 G C -0.573 174.255 174.900 -0.121 0.000 1.287 477 G CA -0.438 44.611 45.100 -0.084 0.000 0.916 477 G HN 1.238 nan 8.290 nan 0.000 0.574 478 A N -1.133 121.586 122.820 -0.168 0.000 2.539 478 A HA 0.888 5.203 4.320 -0.009 0.000 0.296 478 A C -0.766 176.650 177.584 -0.280 0.000 1.073 478 A CA -0.336 51.578 52.037 -0.206 0.000 0.700 478 A CB 1.534 20.413 19.000 -0.202 0.000 1.296 478 A HN 1.548 nan 8.150 nan 0.000 0.405 479 L N 1.347 122.400 121.223 -0.283 0.000 2.422 479 L HA 0.644 4.979 4.340 -0.009 0.000 0.264 479 L C -1.151 175.674 176.870 -0.074 0.000 0.984 479 L CA -0.480 54.175 54.840 -0.307 0.000 0.819 479 L CB 2.083 43.789 42.059 -0.588 0.000 1.330 479 L HN 0.626 nan 8.230 nan 0.000 0.410 480 L N 2.524 123.735 121.223 -0.021 0.000 2.365 480 L HA 0.587 4.921 4.340 -0.009 0.000 0.273 480 L C -0.722 176.274 176.870 0.211 0.000 1.000 480 L CA -0.466 54.404 54.840 0.050 0.000 0.819 480 L CB 2.166 44.161 42.059 -0.107 0.000 1.284 480 L HN 0.595 nan 8.230 nan 0.000 0.418 481 Q N 2.397 122.312 119.800 0.191 0.000 2.337 481 Q HA 0.290 4.625 4.340 -0.009 0.000 0.264 481 Q C -1.449 174.597 176.000 0.076 0.000 1.007 481 Q CA -0.438 55.450 55.803 0.141 0.000 0.727 481 Q CB 2.140 30.883 28.738 0.008 0.000 1.256 481 Q HN 0.779 nan 8.270 nan 0.000 0.467 482 C N 3.408 122.760 119.300 0.087 0.000 2.499 482 C HA 0.821 5.276 4.460 -0.009 0.000 0.386 482 C C 0.036 175.011 174.990 -0.025 0.000 1.293 482 C CA -0.051 59.011 59.018 0.073 0.000 1.884 482 C CB -0.585 27.234 27.740 0.131 0.000 2.509 482 C HN 0.789 nan 8.230 nan 0.000 0.566 483 A N 6.642 129.451 122.820 -0.018 0.000 2.311 483 A HA 0.666 4.981 4.320 -0.009 0.000 0.306 483 A C -1.003 176.552 177.584 -0.049 0.000 1.189 483 A CA -0.463 51.515 52.037 -0.099 0.000 0.791 483 A CB 0.745 19.745 19.000 0.000 0.000 1.172 483 A HN 1.003 nan 8.150 nan 0.000 0.481 484 L N 3.329 124.502 121.223 -0.083 0.000 2.305 484 L HA 0.755 5.089 4.340 -0.009 0.000 0.284 484 L C -1.243 175.675 176.870 0.081 0.000 1.013 484 L CA -0.646 54.198 54.840 0.007 0.000 0.819 484 L CB 1.518 43.571 42.059 -0.010 0.000 1.227 484 L HN 0.628 nan 8.230 nan 0.000 0.417 485 L N 7.056 128.356 121.223 0.129 0.000 2.296 485 L HA 0.673 5.008 4.340 -0.009 0.000 0.286 485 L C -1.156 175.868 176.870 0.257 0.000 1.023 485 L CA -0.151 54.777 54.840 0.146 0.000 0.812 485 L CB 1.032 43.177 42.059 0.145 0.000 1.223 485 L HN 0.695 nan 8.230 nan 0.000 0.421 486 Y N 0.795 121.123 120.300 0.046 0.000 2.670 486 Y HA 0.776 5.320 4.550 -0.009 0.000 0.334 486 Y C -1.035 174.936 175.900 0.119 0.000 1.185 486 Y CA -1.063 57.089 58.100 0.087 0.000 1.053 486 Y CB 1.199 39.704 38.460 0.075 0.000 1.298 486 Y HN 0.391 nan 8.280 nan 0.000 0.459 487 T N 2.326 117.016 114.554 0.227 0.000 2.824 487 T HA 0.479 4.823 4.350 -0.009 0.000 0.280 487 T C -0.111 174.786 174.700 0.327 0.000 0.995 487 T CA -0.572 61.606 62.100 0.131 0.000 1.009 487 T CB 1.174 70.137 68.868 0.157 0.000 0.955 487 T HN 0.863 nan 8.240 nan 0.000 0.452 488 S N 0.674 116.462 115.700 0.148 0.000 2.655 488 S HA 0.107 4.571 4.470 -0.009 0.000 0.265 488 S C 2.030 176.809 174.600 0.300 0.000 1.240 488 S CA -0.374 58.003 58.200 0.296 0.000 0.986 488 S CB 0.029 63.302 63.200 0.121 0.000 0.985 488 S HN 1.004 nan 8.310 nan 0.000 0.562 489 C N -0.850 118.670 119.300 0.366 0.000 2.449 489 C HA 0.422 4.877 4.460 -0.009 0.000 0.283 489 C C 2.198 177.196 174.990 0.014 0.000 1.453 489 C CA 0.146 59.327 59.018 0.272 0.000 1.779 489 C CB -2.144 25.778 27.740 0.303 0.000 1.779 489 C HN 0.892 nan 8.230 nan 0.000 0.546 490 A N -0.169 122.660 122.820 0.016 0.000 2.252 490 A HA 0.551 4.865 4.320 -0.009 0.000 0.213 490 A C 1.890 179.433 177.584 -0.067 0.000 1.188 490 A CA 1.071 53.086 52.037 -0.035 0.000 0.863 490 A CB -0.625 18.364 19.000 -0.018 0.000 0.893 490 A HN 1.674 nan 8.150 nan 0.000 0.495 491 G N -0.900 107.858 108.800 -0.069 0.000 2.134 491 G HA2 -0.214 3.740 3.960 -0.009 0.000 0.209 491 G HA3 -0.214 3.740 3.960 -0.009 0.000 0.209 491 G C 0.036 174.906 174.900 -0.051 0.000 0.993 491 G CA 0.239 45.294 45.100 -0.074 0.000 0.669 491 G HN 0.713 nan 8.290 nan 0.000 0.519 492 Q N -0.110 119.652 119.800 -0.062 0.000 2.256 492 Q HA 0.601 4.936 4.340 -0.009 0.000 0.254 492 Q C 0.345 176.279 176.000 -0.110 0.000 0.916 492 Q CA -0.914 54.829 55.803 -0.099 0.000 0.932 492 Q CB 0.597 29.267 28.738 -0.114 0.000 1.207 492 Q HN 0.208 nan 8.270 nan 0.000 0.426 493 R N 3.105 123.573 120.500 -0.054 0.000 2.267 493 R HA 0.275 4.610 4.340 -0.009 0.000 0.319 493 R C -0.894 175.309 176.300 -0.162 0.000 1.067 493 R CA 0.416 56.487 56.100 -0.049 0.000 0.936 493 R CB 0.414 30.804 30.300 0.149 0.000 1.006 493 R HN 0.635 nan 8.270 nan 0.000 0.452 494 R N 3.150 123.430 120.500 -0.367 0.000 2.855 494 R HA 0.578 4.912 4.340 -0.009 0.000 0.266 494 R C -1.019 175.092 176.300 -0.314 0.000 1.034 494 R CA -1.069 54.803 56.100 -0.380 0.000 0.944 494 R CB 1.691 31.700 30.300 -0.485 0.000 1.219 494 R HN 0.360 nan 8.270 nan 0.000 0.474 495 L N 0.705 121.826 121.223 -0.170 0.000 2.381 495 L HA 0.606 4.941 4.340 -0.009 0.000 0.268 495 L C -0.587 176.217 176.870 -0.109 0.000 0.997 495 L CA -0.645 54.123 54.840 -0.121 0.000 0.818 495 L CB 2.240 44.181 42.059 -0.197 0.000 1.310 495 L HN 0.403 nan 8.230 nan 0.000 0.416 496 R N 2.445 122.856 120.500 -0.148 0.000 2.575 496 R HA 0.734 5.069 4.340 -0.009 0.000 0.293 496 R C -1.711 174.264 176.300 -0.540 0.000 0.983 496 R CA -0.634 55.268 56.100 -0.331 0.000 0.887 496 R CB 1.553 31.708 30.300 -0.242 0.000 1.184 496 R HN 0.465 nan 8.270 nan 0.000 0.445 497 I N 3.400 123.494 120.570 -0.794 0.000 2.569 497 I HA 0.374 4.538 4.170 -0.009 0.000 0.296 497 I C -0.602 174.950 176.117 -0.943 0.000 1.028 497 I CA -0.573 60.273 61.300 -0.758 0.000 1.082 497 I CB 1.833 39.433 38.000 -0.666 0.000 1.264 497 I HN 0.503 nan 8.210 nan 0.000 0.429 498 H N 5.003 123.885 119.070 -0.314 0.000 2.658 498 H HA 0.470 5.020 4.556 -0.009 0.000 0.337 498 H C -0.981 174.325 175.328 -0.037 0.000 1.009 498 H CA -0.687 55.236 56.048 -0.209 0.000 1.231 498 H CB 1.579 31.239 29.762 -0.171 0.000 1.508 498 H HN 0.471 nan 8.280 nan 0.000 0.517 499 N N 2.969 121.765 118.700 0.160 0.000 2.400 499 N HA 0.285 5.019 4.740 -0.009 0.000 0.288 499 N C -0.830 174.838 175.510 0.264 0.000 1.024 499 N CA -0.663 52.550 53.050 0.271 0.000 0.894 499 N CB 2.790 41.542 38.487 0.443 0.000 1.173 499 N HN 0.318 nan 8.380 nan 0.000 0.487 500 L N 1.682 122.997 121.223 0.153 0.000 2.476 500 L HA 0.601 4.935 4.340 -0.009 0.000 0.269 500 L C -1.073 175.733 176.870 -0.105 0.000 0.965 500 L CA -0.574 54.316 54.840 0.082 0.000 0.845 500 L CB 1.559 43.663 42.059 0.075 0.000 1.259 500 L HN 0.597 nan 8.230 nan 0.000 0.403 501 A N 5.892 128.611 122.820 -0.168 0.000 2.301 501 A HA 0.838 5.152 4.320 -0.009 0.000 0.312 501 A C -0.999 176.505 177.584 -0.133 0.000 1.182 501 A CA -0.468 51.370 52.037 -0.332 0.000 0.826 501 A CB 0.551 19.230 19.000 -0.536 0.000 1.134 501 A HN 0.734 nan 8.150 nan 0.000 0.501 502 L N 1.788 122.915 121.223 -0.160 0.000 2.303 502 L HA 0.480 4.815 4.340 -0.009 0.000 0.266 502 L C -0.092 176.733 176.870 -0.074 0.000 1.011 502 L CA -1.167 53.619 54.840 -0.090 0.000 0.818 502 L CB 1.643 43.608 42.059 -0.156 0.000 1.326 502 L HN 0.635 nan 8.230 nan 0.000 0.435 503 N N -0.422 118.265 118.700 -0.022 0.000 2.489 503 N HA 0.426 5.160 4.740 -0.009 0.000 0.284 503 N C -1.234 174.260 175.510 -0.027 0.000 1.158 503 N CA -0.306 52.734 53.050 -0.017 0.000 0.965 503 N CB 1.843 40.339 38.487 0.015 0.000 1.195 503 N HN 0.467 nan 8.380 nan 0.000 0.506 504 C N 1.192 120.478 119.300 -0.023 0.000 2.417 504 C HA 0.680 5.135 4.460 -0.009 0.000 0.324 504 C C 0.471 175.459 174.990 -0.003 0.000 1.240 504 C CA -0.966 58.044 59.018 -0.014 0.000 1.632 504 C CB -0.362 27.368 27.740 -0.017 0.000 2.241 504 C HN 0.827 nan 8.230 nan 0.000 0.499 505 C N 1.352 120.652 119.300 0.001 0.000 2.994 505 C HA 0.875 5.329 4.460 -0.009 0.000 0.304 505 C C 0.902 175.892 174.990 -0.000 0.000 1.273 505 C CA -0.264 58.755 59.018 0.003 0.000 1.537 505 C CB 0.992 28.736 27.740 0.007 0.000 2.001 505 C HN 0.924 nan 8.230 nan 0.000 0.471 506 T N -2.188 112.367 114.554 0.002 0.000 3.040 506 T HA 0.242 4.587 4.350 -0.009 0.000 0.266 506 T C 0.061 174.763 174.700 0.005 0.000 1.005 506 T CA 0.209 62.308 62.100 -0.002 0.000 0.906 506 T CB -0.071 68.796 68.868 -0.002 0.000 1.082 506 T HN 0.758 nan 8.240 nan 0.000 0.531 507 Q N 1.056 120.865 119.800 0.015 0.000 2.333 507 Q HA 0.495 4.829 4.340 -0.009 0.000 0.265 507 Q C 0.960 176.992 176.000 0.053 0.000 0.989 507 Q CA -0.394 55.428 55.803 0.031 0.000 0.842 507 Q CB 2.377 31.134 28.738 0.032 0.000 1.262 507 Q HN 0.258 nan 8.270 nan 0.000 0.451 508 L N 1.305 122.575 121.223 0.077 0.000 2.089 508 L HA -0.330 4.004 4.340 -0.009 0.000 0.213 508 L C 2.075 179.091 176.870 0.243 0.000 1.079 508 L CA 1.871 56.801 54.840 0.151 0.000 0.758 508 L CB -0.491 41.702 42.059 0.224 0.000 0.891 508 L HN 0.754 nan 8.230 nan 0.000 0.433 509 A N -0.223 122.712 122.820 0.192 0.000 1.917 509 A HA -0.265 4.049 4.320 -0.009 0.000 0.219 509 A C 1.923 179.612 177.584 0.174 0.000 1.182 509 A CA 2.187 54.347 52.037 0.205 0.000 0.633 509 A CB -0.550 18.518 19.000 0.113 0.000 0.819 509 A HN 0.442 nan 8.150 nan 0.000 0.448 510 D N -0.428 120.035 120.400 0.105 0.000 2.312 510 D HA -0.073 4.562 4.640 -0.009 0.000 0.211 510 D C 1.780 178.111 176.300 0.052 0.000 0.964 510 D CA 0.467 54.509 54.000 0.070 0.000 0.877 510 D CB -0.080 40.746 40.800 0.043 0.000 0.924 510 D HN 0.383 nan 8.370 nan 0.000 0.515 511 L N -0.001 121.242 121.223 0.033 0.000 2.034 511 L HA -0.137 4.197 4.340 -0.009 0.000 0.203 511 L C 1.938 178.754 176.870 -0.090 0.000 1.074 511 L CA 1.502 56.296 54.840 -0.076 0.000 0.748 511 L CB -1.042 40.899 42.059 -0.196 0.000 0.905 511 L HN -0.049 nan 8.230 nan 0.000 0.439 512 Y N 0.873 121.205 120.300 0.055 0.000 2.333 512 Y HA -0.117 4.428 4.550 -0.009 0.000 0.290 512 Y C 2.776 178.671 175.900 -0.008 0.000 1.144 512 Y CA 1.244 59.354 58.100 0.018 0.000 1.228 512 Y CB -0.271 38.228 38.460 0.066 0.000 0.985 512 Y HN 0.234 nan 8.280 nan 0.000 0.542 513 R N -0.255 120.341 120.500 0.160 0.000 2.276 513 R HA -0.022 4.312 4.340 -0.009 0.000 0.203 513 R C 0.150 176.482 176.300 0.052 0.000 1.017 513 R CA 0.865 57.020 56.100 0.092 0.000 1.010 513 R CB -0.219 30.133 30.300 0.087 0.000 0.900 513 R HN 0.330 nan 8.270 nan 0.000 0.469 514 N N -0.485 118.248 118.700 0.054 0.000 2.401 514 N HA 0.119 4.854 4.740 -0.009 0.000 0.264 514 N C -0.929 174.642 175.510 0.102 0.000 1.238 514 N CA -0.128 52.959 53.050 0.062 0.000 0.889 514 N CB 0.693 39.228 38.487 0.081 0.000 1.196 514 N HN 0.016 nan 8.380 nan 0.000 0.511 515 C N 0.186 119.524 119.300 0.065 0.000 2.325 515 C HA 0.535 4.989 4.460 -0.009 0.000 0.370 515 C C 0.572 175.613 174.990 0.084 0.000 1.217 515 C CA -0.543 58.519 59.018 0.073 0.000 2.254 515 C CB 1.054 28.806 27.740 0.020 0.000 2.282 515 C HN 0.421 nan 8.230 nan 0.000 0.564 516 E N -0.151 120.112 120.200 0.104 0.000 2.279 516 E HA 0.307 4.652 4.350 -0.009 0.000 0.252 516 E C 0.448 177.095 176.600 0.078 0.000 0.894 516 E CA -0.166 56.291 56.400 0.094 0.000 0.785 516 E CB 0.935 30.737 29.700 0.170 0.000 1.237 516 E HN 0.615 nan 8.360 nan 0.000 0.418 517 T N 3.304 117.900 114.554 0.069 0.000 2.684 517 T HA -0.153 4.191 4.350 -0.009 0.000 0.267 517 T C 0.833 175.612 174.700 0.131 0.000 1.036 517 T CA 1.661 63.818 62.100 0.095 0.000 1.148 517 T CB -0.147 68.776 68.868 0.092 0.000 0.863 517 T HN 0.510 nan 8.240 nan 0.000 0.436 518 D N 0.949 121.425 120.400 0.127 0.000 2.123 518 D HA -0.086 4.548 4.640 -0.009 0.000 0.196 518 D C 2.305 178.637 176.300 0.053 0.000 0.992 518 D CA 1.451 55.492 54.000 0.069 0.000 0.833 518 D CB -0.442 40.381 40.800 0.038 0.000 0.954 518 D HN 0.374 nan 8.370 nan 0.000 0.455 519 T N 1.451 116.047 114.554 0.070 0.000 2.821 519 T HA -0.067 4.277 4.350 -0.009 0.000 0.267 519 T C 2.293 177.042 174.700 0.081 0.000 1.046 519 T CA 0.377 62.521 62.100 0.073 0.000 1.139 519 T CB -0.241 68.678 68.868 0.085 0.000 0.871 519 T HN 0.117 nan 8.240 nan 0.000 0.454 520 L N 0.451 121.721 121.223 0.078 0.000 2.042 520 L HA -0.092 4.243 4.340 -0.009 0.000 0.210 520 L C 2.485 179.402 176.870 0.080 0.000 1.076 520 L CA 0.973 55.867 54.840 0.090 0.000 0.749 520 L CB -0.488 41.611 42.059 0.066 0.000 0.893 520 L HN 0.239 nan 8.230 nan 0.000 0.432 521 I N -0.141 120.452 120.570 0.038 0.000 2.226 521 I HA -0.296 3.868 4.170 -0.009 0.000 0.245 521 I C 2.413 178.480 176.117 -0.084 0.000 1.100 521 I CA 1.320 62.593 61.300 -0.046 0.000 1.374 521 I CB -1.410 36.561 38.000 -0.049 0.000 1.057 521 I HN 0.463 nan 8.210 nan 0.000 0.413 522 N N 0.934 119.627 118.700 -0.011 0.000 2.043 522 N HA -0.285 4.450 4.740 -0.009 0.000 0.193 522 N C 2.181 177.644 175.510 -0.079 0.000 1.037 522 N CA 1.780 54.824 53.050 -0.010 0.000 0.851 522 N CB -0.378 38.128 38.487 0.030 0.000 1.027 522 N HN 0.358 nan 8.380 nan 0.000 0.422 523 Y N 2.245 122.473 120.300 -0.120 0.000 2.070 523 Y HA -0.195 4.350 4.550 -0.009 0.000 0.280 523 Y C 2.693 178.450 175.900 -0.239 0.000 1.148 523 Y CA 2.772 60.756 58.100 -0.192 0.000 1.125 523 Y CB -0.700 37.671 38.460 -0.148 0.000 0.975 523 Y HN 0.189 nan 8.280 nan 0.000 0.492 524 M N -0.523 118.784 119.600 -0.489 0.000 2.476 524 M HA 0.123 4.597 4.480 -0.009 0.000 0.262 524 M C 1.907 177.989 176.300 -0.364 0.000 1.079 524 M CA 1.672 56.660 55.300 -0.521 0.000 1.104 524 M CB -0.575 31.897 32.600 -0.214 0.000 1.409 524 M HN 0.269 nan 8.290 nan 0.000 0.467 525 A N 1.647 124.246 122.820 -0.368 0.000 1.930 525 A HA -0.002 4.312 4.320 -0.009 0.000 0.215 525 A C 2.159 179.499 177.584 -0.406 0.000 1.176 525 A CA 1.114 52.904 52.037 -0.412 0.000 0.632 525 A CB -0.303 18.401 19.000 -0.493 0.000 0.819 525 A HN 0.574 nan 8.150 nan 0.000 0.445 526 K N -1.416 118.739 120.400 -0.408 0.000 2.097 526 K HA -0.049 4.265 4.320 -0.009 0.000 0.205 526 K C 1.694 178.056 176.600 -0.395 0.000 1.050 526 K CA 1.374 57.449 56.287 -0.354 0.000 0.938 526 K CB -0.288 31.983 32.500 -0.382 0.000 0.718 526 K HN 0.477 nan 8.250 nan 0.000 0.442 527 F N 1.593 121.055 119.950 -0.814 0.000 2.102 527 F HA -0.215 4.307 4.527 -0.009 0.000 0.298 527 F C 2.193 177.880 175.800 -0.188 0.000 1.105 527 F CA 1.492 59.121 58.000 -0.617 0.000 1.239 527 F CB -0.192 38.345 39.000 -0.772 0.000 0.991 527 F HN -0.024 nan 8.300 nan 0.000 0.474 528 A N -0.753 122.090 122.820 0.038 0.000 1.898 528 A HA -0.193 4.122 4.320 -0.009 0.000 0.216 528 A C 2.143 179.796 177.584 0.115 0.000 1.181 528 A CA 1.511 53.604 52.037 0.094 0.000 0.620 528 A CB -1.626 17.448 19.000 0.123 0.000 0.819 528 A HN 0.587 nan 8.150 nan 0.000 0.442 529 Y N -0.716 119.521 120.300 -0.106 0.000 2.256 529 Y HA -0.229 4.316 4.550 -0.009 0.000 0.288 529 Y C 2.766 178.585 175.900 -0.136 0.000 1.155 529 Y CA 1.417 59.457 58.100 -0.099 0.000 1.203 529 Y CB -0.027 38.408 38.460 -0.042 0.000 0.980 529 Y HN 0.316 nan 8.280 nan 0.000 0.530 530 R N 0.292 120.805 120.500 0.023 0.000 2.075 530 R HA -0.076 4.259 4.340 -0.009 0.000 0.226 530 R C 2.505 178.721 176.300 -0.139 0.000 1.114 530 R CA 1.042 57.115 56.100 -0.045 0.000 0.972 530 R CB -0.650 29.663 30.300 0.022 0.000 0.869 530 R HN 0.334 nan 8.270 nan 0.000 0.437 531 G N 0.457 109.144 108.800 -0.189 0.000 2.507 531 G HA2 -0.242 3.713 3.960 -0.009 0.000 0.221 531 G HA3 -0.242 3.713 3.960 -0.009 0.000 0.221 531 G C 1.320 176.120 174.900 -0.167 0.000 1.119 531 G CA 1.062 46.048 45.100 -0.191 0.000 0.751 531 G HN 0.244 nan 8.290 nan 0.000 0.574 532 V N 0.482 120.263 119.914 -0.220 0.000 2.828 532 V HA -0.111 4.003 4.120 -0.009 0.000 0.260 532 V C 2.641 178.539 176.094 -0.326 0.000 1.101 532 V CA 1.070 63.165 62.300 -0.342 0.000 1.123 532 V CB -0.282 31.179 31.823 -0.603 0.000 0.704 532 V HN 0.258 nan 8.190 nan 0.000 0.493 533 L N 0.297 121.385 121.223 -0.225 0.000 2.395 533 L HA 0.049 4.383 4.340 -0.009 0.000 0.218 533 L C 1.708 178.529 176.870 -0.081 0.000 1.130 533 L CA 1.449 56.213 54.840 -0.127 0.000 0.826 533 L CB -0.547 41.463 42.059 -0.082 0.000 0.941 533 L HN 0.428 nan 8.230 nan 0.000 0.451 534 N N -2.765 115.880 118.700 -0.091 0.000 2.129 534 N HA 0.168 4.903 4.740 -0.009 0.000 0.222 534 N C 0.027 175.507 175.510 -0.050 0.000 1.303 534 N CA 0.103 53.117 53.050 -0.059 0.000 0.897 534 N CB 1.131 39.585 38.487 -0.056 0.000 1.093 534 N HN 0.082 nan 8.380 nan 0.000 0.501 535 S N 1.266 116.927 115.700 -0.065 0.000 2.599 535 S HA 0.600 5.065 4.470 -0.009 0.000 0.294 535 S C -2.686 171.882 174.600 -0.054 0.000 1.094 535 S CA -0.941 57.232 58.200 -0.044 0.000 0.931 535 S CB 2.678 65.860 63.200 -0.030 0.000 1.093 535 S HN -0.123 nan 8.310 nan 0.000 0.488 536 P HA 0.165 nan 4.420 nan 0.000 0.272 536 P C 0.774 178.049 177.300 -0.041 0.000 1.230 536 P CA -0.368 62.713 63.100 -0.032 0.000 0.788 536 P CB 0.418 32.111 31.700 -0.013 0.000 0.949 537 V N 2.225 122.110 119.914 -0.049 0.000 2.332 537 V HA -0.279 3.835 4.120 -0.009 0.000 0.248 537 V C 2.356 178.441 176.094 -0.015 0.000 1.055 537 V CA 1.969 64.238 62.300 -0.050 0.000 1.038 537 V CB -0.971 30.824 31.823 -0.048 0.000 0.651 537 V HN 0.701 nan 8.190 nan 0.000 0.450 538 K N 0.265 120.664 120.400 -0.002 0.000 2.044 538 K HA -0.261 4.053 4.320 -0.009 0.000 0.210 538 K C 2.189 178.802 176.600 0.022 0.000 1.049 538 K CA 1.899 58.195 56.287 0.015 0.000 0.927 538 K CB -0.375 32.134 32.500 0.014 0.000 0.713 538 K HN 0.435 nan 8.250 nan 0.000 0.443 539 A N 0.703 123.532 122.820 0.015 0.000 1.877 539 A HA -0.124 4.190 4.320 -0.009 0.000 0.216 539 A C 2.284 179.889 177.584 0.036 0.000 1.186 539 A CA 1.819 53.870 52.037 0.025 0.000 0.620 539 A CB -0.767 18.244 19.000 0.018 0.000 0.822 539 A HN 0.192 nan 8.150 nan 0.000 0.443 540 V N -0.118 119.809 119.914 0.021 0.000 2.282 540 V HA -0.309 3.806 4.120 -0.009 0.000 0.249 540 V C 2.651 178.777 176.094 0.054 0.000 1.057 540 V CA 2.543 64.865 62.300 0.035 0.000 1.032 540 V CB -0.869 30.950 31.823 -0.007 0.000 0.645 540 V HN 0.594 nan 8.190 nan 0.000 0.447 541 R N 0.525 121.049 120.500 0.041 0.000 2.082 541 R HA -0.171 4.164 4.340 -0.009 0.000 0.234 541 R C 2.111 178.450 176.300 0.064 0.000 1.136 541 R CA 2.187 58.319 56.100 0.054 0.000 0.935 541 R CB -0.783 29.549 30.300 0.053 0.000 0.842 541 R HN 0.566 nan 8.270 nan 0.000 0.430 542 D N -0.819 119.617 120.400 0.061 0.000 2.149 542 D HA -0.150 4.484 4.640 -0.009 0.000 0.198 542 D C 1.733 178.064 176.300 0.051 0.000 0.990 542 D CA 1.931 55.966 54.000 0.058 0.000 0.839 542 D CB -0.386 40.445 40.800 0.051 0.000 0.948 542 D HN 0.344 nan 8.370 nan 0.000 0.460 543 T N 1.756 116.345 114.554 0.059 0.000 2.684 543 T HA -0.127 4.218 4.350 -0.009 0.000 0.267 543 T C 2.098 176.823 174.700 0.042 0.000 1.036 543 T CA 0.404 62.542 62.100 0.063 0.000 1.148 543 T CB -0.368 68.569 68.868 0.114 0.000 0.863 543 T HN 0.138 nan 8.240 nan 0.000 0.436 544 L N 0.453 121.706 121.223 0.050 0.000 1.994 544 L HA -0.084 4.250 4.340 -0.009 0.000 0.208 544 L C 2.451 179.338 176.870 0.028 0.000 1.071 544 L CA 1.624 56.479 54.840 0.025 0.000 0.745 544 L CB -0.428 41.646 42.059 0.026 0.000 0.892 544 L HN 0.308 nan 8.230 nan 0.000 0.431 545 I N -0.553 120.046 120.570 0.049 0.000 2.091 545 I HA -0.367 3.797 4.170 -0.009 0.000 0.239 545 I C 2.452 178.573 176.117 0.007 0.000 1.061 545 I CA 2.044 63.372 61.300 0.047 0.000 1.317 545 I CB -0.773 37.255 38.000 0.047 0.000 1.031 545 I HN 0.298 nan 8.210 nan 0.000 0.401 546 T N 0.056 114.614 114.554 0.006 0.000 2.699 546 T HA -0.322 4.022 4.350 -0.009 0.000 0.268 546 T C 1.817 176.514 174.700 -0.005 0.000 1.036 546 T CA 1.922 64.020 62.100 -0.004 0.000 1.147 546 T CB -0.385 68.487 68.868 0.007 0.000 0.862 546 T HN 0.440 nan 8.240 nan 0.000 0.446 547 Q N -0.181 119.617 119.800 -0.004 0.000 2.030 547 Q HA -0.185 4.149 4.340 -0.009 0.000 0.204 547 Q C 2.664 178.667 176.000 0.004 0.000 0.986 547 Q CA 1.911 57.708 55.803 -0.010 0.000 0.843 547 Q CB -0.590 28.125 28.738 -0.037 0.000 0.904 547 Q HN 0.594 nan 8.270 nan 0.000 0.420 548 C N 0.254 119.561 119.300 0.011 0.000 2.413 548 C HA -0.071 4.383 4.460 -0.009 0.000 0.276 548 C C 2.864 177.862 174.990 0.013 0.000 1.236 548 C CA 1.243 60.276 59.018 0.026 0.000 1.735 548 C CB -1.355 26.417 27.740 0.052 0.000 2.031 548 C HN 0.690 nan 8.230 nan 0.000 0.474 549 A N -0.376 122.436 122.820 -0.014 0.000 1.908 549 A HA -0.256 4.058 4.320 -0.009 0.000 0.218 549 A C 2.125 179.699 177.584 -0.016 0.000 1.181 549 A CA 1.998 54.010 52.037 -0.042 0.000 0.627 549 A CB -0.835 18.122 19.000 -0.072 0.000 0.818 549 A HN 0.831 nan 8.150 nan 0.000 0.445 550 Q N -0.646 119.154 119.800 -0.000 0.000 2.170 550 Q HA -0.131 4.204 4.340 -0.009 0.000 0.203 550 Q C 2.113 178.145 176.000 0.054 0.000 0.976 550 Q CA 1.597 57.410 55.803 0.017 0.000 0.858 550 Q CB -0.428 28.318 28.738 0.014 0.000 0.907 550 Q HN 0.970 nan 8.270 nan 0.000 0.433 551 I N -2.469 118.146 120.570 0.074 0.000 2.617 551 I HA -0.142 4.023 4.170 -0.009 0.000 0.256 551 I C 1.742 177.954 176.117 0.158 0.000 1.167 551 I CA 0.868 62.263 61.300 0.159 0.000 1.469 551 I CB -0.093 38.002 38.000 0.159 0.000 1.098 551 I HN 0.066 nan 8.210 nan 0.000 0.436 552 L N 1.476 122.740 121.223 0.068 0.000 2.068 552 L HA 0.016 4.351 4.340 -0.009 0.000 0.204 552 L C 3.113 180.006 176.870 0.038 0.000 1.076 552 L CA 1.203 56.062 54.840 0.032 0.000 0.753 552 L CB -0.829 41.233 42.059 0.005 0.000 0.910 552 L HN 0.321 nan 8.230 nan 0.000 0.439 553 A N -0.394 122.433 122.820 0.012 0.000 1.883 553 A HA -0.246 4.068 4.320 -0.009 0.000 0.217 553 A C 2.347 179.926 177.584 -0.007 0.000 1.186 553 A CA 1.985 54.013 52.037 -0.014 0.000 0.624 553 A CB -1.285 17.699 19.000 -0.026 0.000 0.822 553 A HN 0.563 nan 8.150 nan 0.000 0.444 554 C N -2.037 117.286 119.300 0.039 0.000 2.422 554 C HA -0.077 4.377 4.460 -0.009 0.000 0.286 554 C C 2.413 177.419 174.990 0.028 0.000 1.412 554 C CA 0.937 59.995 59.018 0.066 0.000 1.786 554 C CB -1.859 25.971 27.740 0.149 0.000 1.835 554 C HN 0.721 nan 8.230 nan 0.000 0.533 555 Y N 1.555 121.706 120.300 -0.248 0.000 2.365 555 Y HA 0.017 4.561 4.550 -0.009 0.000 0.293 555 Y C 2.597 178.315 175.900 -0.305 0.000 1.119 555 Y CA 1.407 59.156 58.100 -0.585 0.000 1.203 555 Y CB -0.491 37.446 38.460 -0.872 0.000 1.026 555 Y HN 0.185 nan 8.280 nan 0.000 0.549 556 R N 1.179 121.512 120.500 -0.278 0.000 2.051 556 R HA -0.104 4.231 4.340 -0.009 0.000 0.225 556 R C 2.215 178.374 176.300 -0.235 0.000 1.155 556 R CA 1.763 57.690 56.100 -0.289 0.000 0.945 556 R CB -0.294 29.930 30.300 -0.128 0.000 0.840 556 R HN 0.398 nan 8.270 nan 0.000 0.432 557 K N -0.504 119.810 120.400 -0.143 0.000 2.585 557 K HA -0.042 4.273 4.320 -0.009 0.000 0.194 557 K C 0.564 177.103 176.600 -0.103 0.000 1.037 557 K CA 1.429 57.654 56.287 -0.104 0.000 0.964 557 K CB 0.105 32.566 32.500 -0.064 0.000 0.787 557 K HN 0.199 nan 8.250 nan 0.000 0.488 558 N N -0.535 118.080 118.700 -0.141 0.000 2.145 558 N HA 0.114 4.848 4.740 -0.009 0.000 0.219 558 N C -0.546 174.871 175.510 -0.154 0.000 1.266 558 N CA -0.108 52.881 53.050 -0.102 0.000 0.902 558 N CB 0.746 39.220 38.487 -0.022 0.000 1.078 558 N HN 0.137 nan 8.380 nan 0.000 0.513 567 Q N -0.013 119.885 119.800 0.164 0.000 2.736 567 Q HA 0.440 4.774 4.340 -0.009 0.000 0.273 567 Q C -1.203 174.884 176.000 0.145 0.000 0.948 567 Q CA -1.091 54.766 55.803 0.089 0.000 0.854 567 Q CB 0.982 29.733 28.738 0.020 0.000 1.569 567 Q HN 0.839 nan 8.270 nan 0.000 0.405 568 L N 0.470 121.751 121.223 0.096 0.000 2.418 568 L HA 0.572 4.907 4.340 -0.009 0.000 0.274 568 L C -0.418 176.492 176.870 0.067 0.000 1.135 568 L CA 0.168 55.081 54.840 0.123 0.000 0.870 568 L CB -0.000 42.092 42.059 0.055 0.000 1.154 568 L HN 0.553 nan 8.230 nan 0.000 0.462 569 I N 2.735 123.350 120.570 0.075 0.000 2.439 569 I HA 0.620 4.784 4.170 -0.009 0.000 0.283 569 I C -1.050 175.145 176.117 0.130 0.000 1.023 569 I CA -0.704 60.648 61.300 0.086 0.000 1.100 569 I CB 1.386 39.427 38.000 0.069 0.000 1.238 569 I HN 0.588 nan 8.210 nan 0.000 0.445 570 L N 6.672 127.943 121.223 0.079 0.000 2.333 570 L HA 0.701 5.035 4.340 -0.009 0.000 0.269 570 L C -2.216 174.575 176.870 -0.131 0.000 1.010 570 L CA -1.866 52.953 54.840 -0.035 0.000 0.818 570 L CB 2.126 44.153 42.059 -0.054 0.000 1.306 570 L HN 0.427 nan 8.230 nan 0.000 0.430 571 P HA 0.105 nan 4.420 nan 0.000 0.274 571 P C 0.166 177.350 177.300 -0.192 0.000 1.231 571 P CA -0.356 62.437 63.100 -0.512 0.000 0.790 571 P CB 1.176 32.269 31.700 -1.011 0.000 0.951 572 E N 1.112 121.262 120.200 -0.084 0.000 2.072 572 E HA -0.247 4.098 4.350 -0.009 0.000 0.218 572 E C 1.606 178.170 176.600 -0.060 0.000 1.051 572 E CA 2.418 58.790 56.400 -0.047 0.000 0.880 572 E CB -0.896 28.794 29.700 -0.015 0.000 0.783 572 E HN 0.679 nan 8.360 nan 0.000 0.473 573 C N -0.525 118.742 119.300 -0.055 0.000 2.526 573 C HA 0.220 4.674 4.460 -0.009 0.000 0.286 573 C C 1.676 176.634 174.990 -0.052 0.000 1.416 573 C CA -0.217 58.774 59.018 -0.045 0.000 1.671 573 C CB -1.269 26.457 27.740 -0.023 0.000 1.650 573 C HN 0.230 nan 8.230 nan 0.000 0.590 574 M N -0.235 119.314 119.600 -0.085 0.000 2.747 574 M HA 0.175 4.649 4.480 -0.009 0.000 0.402 574 M C 1.322 177.558 176.300 -0.106 0.000 1.238 574 M CA -0.049 55.198 55.300 -0.088 0.000 0.877 574 M CB 0.087 32.628 32.600 -0.099 0.000 1.424 574 M HN 0.297 nan 8.290 nan 0.000 0.511 575 K N 0.769 121.103 120.400 -0.110 0.000 2.147 575 K HA -0.006 4.308 4.320 -0.009 0.000 0.205 575 K C 1.348 177.844 176.600 -0.174 0.000 1.049 575 K CA 1.139 57.361 56.287 -0.108 0.000 0.936 575 K CB 0.140 32.582 32.500 -0.096 0.000 0.722 575 K HN 0.414 nan 8.250 nan 0.000 0.446 576 L N 0.732 121.783 121.223 -0.286 0.000 2.607 576 L HA 0.042 4.376 4.340 -0.009 0.000 0.228 576 L C 1.881 178.378 176.870 -0.622 0.000 1.123 576 L CA -0.274 54.208 54.840 -0.597 0.000 0.890 576 L CB -0.078 41.454 42.059 -0.878 0.000 1.103 576 L HN 0.072 nan 8.230 nan 0.000 0.468 577 L N 1.692 122.764 121.223 -0.251 0.000 2.042 577 L HA -0.060 4.274 4.340 -0.009 0.000 0.210 577 L C -0.494 176.361 176.870 -0.024 0.000 1.076 577 L CA 2.184 56.972 54.840 -0.087 0.000 0.749 577 L CB -1.181 40.870 42.059 -0.014 0.000 0.893 577 L HN 0.074 nan 8.230 nan 0.000 0.432 578 P HA -0.108 nan 4.420 nan 0.000 0.216 578 P C 1.932 179.375 177.300 0.238 0.000 1.153 578 P CA 1.885 65.147 63.100 0.271 0.000 0.848 578 P CB -0.093 31.820 31.700 0.355 0.000 0.787 579 V N -2.306 117.577 119.914 -0.052 0.000 2.307 579 V HA -0.264 3.851 4.120 -0.009 0.000 0.245 579 V C 2.194 178.241 176.094 -0.079 0.000 1.045 579 V CA 1.747 63.871 62.300 -0.292 0.000 1.024 579 V CB -2.018 29.362 31.823 -0.739 0.000 0.651 579 V HN -0.004 nan 8.190 nan 0.000 0.449 580 Y N 0.445 120.673 120.300 -0.119 0.000 2.181 580 Y HA -0.127 4.417 4.550 -0.009 0.000 0.288 580 Y C 2.377 178.155 175.900 -0.204 0.000 1.146 580 Y CA 0.934 58.967 58.100 -0.111 0.000 1.164 580 Y CB -1.197 37.205 38.460 -0.098 0.000 0.982 580 Y HN 0.237 nan 8.280 nan 0.000 0.515 581 L N 0.869 122.079 121.223 -0.022 0.000 2.013 581 L HA -0.257 4.077 4.340 -0.009 0.000 0.212 581 L C 2.022 178.704 176.870 -0.314 0.000 1.073 581 L CA 2.101 56.861 54.840 -0.134 0.000 0.753 581 L CB -1.212 40.847 42.059 0.000 0.000 0.890 581 L HN 0.323 nan 8.230 nan 0.000 0.432 582 N N -1.276 117.093 118.700 -0.550 0.000 2.069 582 N HA -0.243 4.491 4.740 -0.009 0.000 0.191 582 N C 1.879 177.202 175.510 -0.311 0.000 1.031 582 N CA 1.848 54.444 53.050 -0.757 0.000 0.852 582 N CB -0.134 37.869 38.487 -0.808 0.000 1.018 582 N HN 0.555 nan 8.380 nan 0.000 0.423 583 C N 0.013 119.212 119.300 -0.167 0.000 2.413 583 C HA -0.072 4.382 4.460 -0.009 0.000 0.276 583 C C 2.787 177.735 174.990 -0.069 0.000 1.236 583 C CA 0.290 59.270 59.018 -0.062 0.000 1.735 583 C CB -1.108 26.671 27.740 0.065 0.000 2.031 583 C HN 0.332 nan 8.230 nan 0.000 0.474 584 V N 1.145 120.890 119.914 -0.283 0.000 2.287 584 V HA -0.242 3.872 4.120 -0.009 0.000 0.248 584 V C 2.334 178.378 176.094 -0.084 0.000 1.053 584 V CA 1.985 64.035 62.300 -0.418 0.000 1.027 584 V CB -0.659 30.804 31.823 -0.600 0.000 0.646 584 V HN 0.569 nan 8.190 nan 0.000 0.447 585 L N -0.633 120.527 121.223 -0.105 0.000 2.201 585 L HA -0.136 4.198 4.340 -0.009 0.000 0.212 585 L C 2.260 179.133 176.870 0.005 0.000 1.105 585 L CA 1.452 56.272 54.840 -0.032 0.000 0.775 585 L CB -0.496 41.530 42.059 -0.054 0.000 0.913 585 L HN 0.293 nan 8.230 nan 0.000 0.440 586 K N -0.075 120.322 120.400 -0.006 0.000 2.404 586 K HA 0.067 4.382 4.320 -0.009 0.000 0.194 586 K C 0.978 177.632 176.600 0.090 0.000 1.023 586 K CA -0.036 56.261 56.287 0.016 0.000 1.094 586 K CB 0.239 32.736 32.500 -0.005 0.000 0.841 586 K HN 0.303 nan 8.250 nan 0.000 0.523 587 S N 1.011 116.812 115.700 0.168 0.000 2.576 587 S HA -0.021 4.443 4.470 -0.009 0.000 0.272 587 S C 0.686 175.393 174.600 0.177 0.000 1.352 587 S CA -0.434 57.929 58.200 0.271 0.000 1.021 587 S CB 0.765 64.278 63.200 0.523 0.000 0.887 587 S HN 0.068 nan 8.310 nan 0.000 0.542 588 D N 1.000 121.512 120.400 0.186 0.000 2.309 588 D HA -0.067 4.567 4.640 -0.009 0.000 0.212 588 D C 1.767 178.109 176.300 0.069 0.000 0.968 588 D CA 0.704 54.751 54.000 0.079 0.000 0.882 588 D CB -0.258 40.613 40.800 0.117 0.000 0.918 588 D HN 0.385 nan 8.370 nan 0.000 0.503 589 V N 0.569 120.516 119.914 0.056 0.000 2.407 589 V HA -0.103 4.011 4.120 -0.009 0.000 0.245 589 V C 2.220 178.253 176.094 -0.102 0.000 1.041 589 V CA 0.939 63.169 62.300 -0.117 0.000 1.040 589 V CB -0.069 31.357 31.823 -0.662 0.000 0.671 589 V HN 0.179 nan 8.190 nan 0.000 0.455 590 L N -0.593 120.620 121.223 -0.017 0.000 2.607 590 L HA 0.312 4.646 4.340 -0.009 0.000 0.228 590 L C 0.832 177.705 176.870 0.005 0.000 1.123 590 L CA 0.368 55.205 54.840 -0.005 0.000 0.890 590 L CB 0.264 42.355 42.059 0.054 0.000 1.103 590 L HN 0.370 nan 8.230 nan 0.000 0.468 591 Q N 0.864 120.665 119.800 0.002 0.000 4.160 591 Q HA 0.151 4.486 4.340 -0.009 0.000 0.159 591 Q C -2.650 173.320 176.000 -0.049 0.000 0.806 591 Q CA -0.901 54.891 55.803 -0.018 0.000 0.820 591 Q CB 0.997 29.725 28.738 -0.018 0.000 1.555 591 Q HN -0.107 nan 8.270 nan 0.000 0.430 592 P HA 0.088 nan 4.420 nan 0.000 0.265 592 P C 0.353 177.606 177.300 -0.078 0.000 1.193 592 P CA 0.510 63.585 63.100 -0.043 0.000 0.765 592 P CB 1.013 32.715 31.700 0.003 0.000 0.823 593 G N 1.573 110.304 108.800 -0.115 0.000 2.588 593 G HA2 0.367 4.322 3.960 -0.009 0.000 0.281 593 G HA3 0.367 4.322 3.960 -0.009 0.000 0.281 593 G C 1.175 176.044 174.900 -0.053 0.000 1.236 593 G CA -0.042 44.990 45.100 -0.115 0.000 0.969 593 G HN 0.495 nan 8.290 nan 0.000 0.504 594 A N -0.338 122.459 122.820 -0.038 0.000 1.849 594 A HA -0.097 4.217 4.320 -0.009 0.000 0.217 594 A C 1.969 179.553 177.584 -0.001 0.000 1.202 594 A CA 2.038 54.066 52.037 -0.015 0.000 0.629 594 A CB -0.647 18.349 19.000 -0.006 0.000 0.834 594 A HN 0.710 nan 8.150 nan 0.000 0.447 595 E N -0.246 119.961 120.200 0.012 0.000 2.478 595 E HA 0.069 4.413 4.350 -0.009 0.000 0.198 595 E C -0.365 176.257 176.600 0.036 0.000 1.046 595 E CA -0.124 56.295 56.400 0.032 0.000 0.870 595 E CB -0.106 29.627 29.700 0.055 0.000 0.818 595 E HN 0.344 nan 8.360 nan 0.000 0.527 596 V N 2.581 122.508 119.914 0.021 0.000 2.446 596 V HA -0.010 4.105 4.120 -0.009 0.000 0.276 596 V C 0.565 176.672 176.094 0.023 0.000 1.030 596 V CA 0.334 62.653 62.300 0.031 0.000 1.033 596 V CB 0.853 32.684 31.823 0.014 0.000 0.993 596 V HN 0.076 nan 8.190 nan 0.000 0.477 597 T N 4.044 118.618 114.554 0.032 0.000 2.874 597 T HA 0.129 4.473 4.350 -0.009 0.000 0.281 597 T C 1.499 176.195 174.700 -0.007 0.000 0.994 597 T CA -0.225 61.884 62.100 0.016 0.000 1.015 597 T CB 1.390 70.279 68.868 0.036 0.000 1.028 597 T HN 0.798 nan 8.240 nan 0.000 0.523 598 T N 1.749 116.279 114.554 -0.041 0.000 2.708 598 T HA -0.133 4.211 4.350 -0.009 0.000 0.266 598 T C 1.616 176.251 174.700 -0.107 0.000 1.037 598 T CA 1.241 63.267 62.100 -0.123 0.000 1.146 598 T CB -0.297 68.483 68.868 -0.147 0.000 0.865 598 T HN 0.543 nan 8.240 nan 0.000 0.435 599 D N 1.274 121.678 120.400 0.006 0.000 2.106 599 D HA -0.107 4.527 4.640 -0.009 0.000 0.191 599 D C 1.903 178.199 176.300 -0.006 0.000 0.997 599 D CA 1.326 55.315 54.000 -0.019 0.000 0.834 599 D CB -0.529 40.264 40.800 -0.013 0.000 0.956 599 D HN 0.417 nan 8.370 nan 0.000 0.448 600 D N -0.282 120.136 120.400 0.030 0.000 2.178 600 D HA -0.092 4.543 4.640 -0.009 0.000 0.201 600 D C 2.124 178.495 176.300 0.119 0.000 0.980 600 D CA 0.739 54.801 54.000 0.104 0.000 0.842 600 D CB -0.005 40.859 40.800 0.106 0.000 0.948 600 D HN 0.085 nan 8.370 nan 0.000 0.472 601 R N 0.181 120.710 120.500 0.048 0.000 2.073 601 R HA 0.055 4.390 4.340 -0.009 0.000 0.229 601 R C 2.228 178.572 176.300 0.072 0.000 1.120 601 R CA 1.156 57.299 56.100 0.071 0.000 0.967 601 R CB -0.194 30.145 30.300 0.065 0.000 0.862 601 R HN 0.144 nan 8.270 nan 0.000 0.436 602 A N 0.153 122.930 122.820 -0.072 0.000 1.877 602 A HA -0.237 4.077 4.320 -0.009 0.000 0.216 602 A C 1.939 179.555 177.584 0.054 0.000 1.186 602 A CA 1.373 53.379 52.037 -0.052 0.000 0.620 602 A CB -0.874 18.019 19.000 -0.178 0.000 0.822 602 A HN 0.449 nan 8.150 nan 0.000 0.443 603 Y N 0.875 121.124 120.300 -0.084 0.000 2.030 603 Y HA -0.245 4.299 4.550 -0.009 0.000 0.274 603 Y C 2.498 178.351 175.900 -0.079 0.000 1.153 603 Y CA 1.982 60.024 58.100 -0.097 0.000 1.115 603 Y CB -0.824 37.575 38.460 -0.101 0.000 0.969 603 Y HN 0.060 nan 8.280 nan 0.000 0.488 604 V N 1.374 121.234 119.914 -0.090 0.000 2.332 604 V HA -0.346 3.768 4.120 -0.009 0.000 0.248 604 V C 2.632 178.663 176.094 -0.104 0.000 1.055 604 V CA 2.330 64.522 62.300 -0.180 0.000 1.038 604 V CB -0.828 31.021 31.823 0.042 0.000 0.651 604 V HN 0.405 nan 8.190 nan 0.000 0.450 605 R N -0.082 120.416 120.500 -0.003 0.000 2.083 605 R HA -0.293 4.042 4.340 -0.009 0.000 0.237 605 R C 2.406 178.736 176.300 0.050 0.000 1.137 605 R CA 2.437 58.564 56.100 0.045 0.000 0.951 605 R CB -0.305 30.012 30.300 0.028 0.000 0.851 605 R HN 0.544 nan 8.270 nan 0.000 0.434 606 Q N 0.790 120.559 119.800 -0.051 0.000 2.061 606 Q HA -0.125 4.210 4.340 -0.009 0.000 0.204 606 Q C 2.175 178.060 176.000 -0.192 0.000 0.984 606 Q CA 1.902 57.641 55.803 -0.107 0.000 0.846 606 Q CB -0.358 28.305 28.738 -0.125 0.000 0.902 606 Q HN 0.488 nan 8.270 nan 0.000 0.421 607 L N -0.657 120.366 121.223 -0.334 0.000 2.079 607 L HA -0.185 4.149 4.340 -0.009 0.000 0.210 607 L C 2.279 178.960 176.870 -0.316 0.000 1.081 607 L CA 1.017 55.615 54.840 -0.404 0.000 0.752 607 L CB -0.527 41.176 42.059 -0.594 0.000 0.896 607 L HN 0.151 nan 8.230 nan 0.000 0.433 608 V N -0.945 118.815 119.914 -0.258 0.000 2.427 608 V HA -0.229 3.885 4.120 -0.009 0.000 0.248 608 V C 2.460 178.477 176.094 -0.129 0.000 1.051 608 V CA 2.099 64.259 62.300 -0.234 0.000 1.048 608 V CB -0.801 30.919 31.823 -0.172 0.000 0.666 608 V HN 0.461 nan 8.190 nan 0.000 0.456 609 T N -0.304 114.219 114.554 -0.052 0.000 2.869 609 T HA -0.156 4.188 4.350 -0.009 0.000 0.270 609 T C 1.812 176.493 174.700 -0.030 0.000 1.082 609 T CA 1.848 63.935 62.100 -0.022 0.000 1.123 609 T CB -0.151 68.710 68.868 -0.013 0.000 0.856 609 T HN 0.493 nan 8.240 nan 0.000 0.499 610 S N 0.371 116.026 115.700 -0.076 0.000 2.540 610 S HA 0.325 4.790 4.470 -0.009 0.000 0.222 610 S C 0.727 175.290 174.600 -0.062 0.000 1.008 610 S CA -0.401 57.766 58.200 -0.054 0.000 0.939 610 S CB 0.025 63.175 63.200 -0.082 0.000 0.865 610 S HN 0.587 nan 8.310 nan 0.000 0.499 611 M N 0.934 120.472 119.600 -0.103 0.000 2.226 611 M HA 0.356 4.831 4.480 -0.009 0.000 0.324 611 M C 0.072 176.343 176.300 -0.048 0.000 1.112 611 M CA -0.233 55.008 55.300 -0.099 0.000 1.176 611 M CB 0.095 32.596 32.600 -0.164 0.000 1.430 611 M HN -0.140 nan 8.290 nan 0.000 0.462 612 D N 0.750 121.126 120.400 -0.041 0.000 2.364 612 D HA 0.024 4.659 4.640 -0.009 0.000 0.236 612 D C 0.929 177.225 176.300 -0.008 0.000 1.221 612 D CA -0.008 53.982 54.000 -0.016 0.000 0.891 612 D CB 1.291 42.077 40.800 -0.023 0.000 1.190 612 D HN 0.511 nan 8.370 nan 0.000 0.449 613 V N 1.708 121.628 119.914 0.010 0.000 2.548 613 V HA -0.170 3.944 4.120 -0.009 0.000 0.249 613 V C 2.434 178.530 176.094 0.004 0.000 1.055 613 V CA 1.539 63.849 62.300 0.018 0.000 1.065 613 V CB -0.375 31.469 31.823 0.034 0.000 0.681 613 V HN 0.606 nan 8.190 nan 0.000 0.462 614 T N 0.050 114.604 114.554 -0.001 0.000 2.708 614 T HA -0.206 4.139 4.350 -0.009 0.000 0.266 614 T C 1.777 176.470 174.700 -0.013 0.000 1.037 614 T CA 1.790 63.885 62.100 -0.008 0.000 1.146 614 T CB -0.203 68.655 68.868 -0.016 0.000 0.865 614 T HN 0.619 nan 8.240 nan 0.000 0.435 615 E N 0.220 120.406 120.200 -0.024 0.000 2.150 615 E HA -0.087 4.257 4.350 -0.009 0.000 0.193 615 E C 2.398 178.979 176.600 -0.033 0.000 0.985 615 E CA 1.159 57.536 56.400 -0.038 0.000 0.814 615 E CB -0.180 29.474 29.700 -0.077 0.000 0.752 615 E HN 0.337 nan 8.360 nan 0.000 0.466 616 T N 0.625 115.170 114.554 -0.016 0.000 2.896 616 T HA -0.131 4.213 4.350 -0.009 0.000 0.263 616 T C 1.742 176.500 174.700 0.097 0.000 1.050 616 T CA 1.505 63.633 62.100 0.048 0.000 1.140 616 T CB -0.208 68.739 68.868 0.131 0.000 0.877 616 T HN 0.110 nan 8.240 nan 0.000 0.457 617 N N 0.286 118.988 118.700 0.002 0.000 2.069 617 N HA -0.090 4.645 4.740 -0.009 0.000 0.191 617 N C 1.791 177.267 175.510 -0.057 0.000 1.031 617 N CA 1.857 54.841 53.050 -0.110 0.000 0.852 617 N CB -0.619 37.804 38.487 -0.105 0.000 1.018 617 N HN 0.252 nan 8.380 nan 0.000 0.423 618 V N -0.564 119.352 119.914 0.002 0.000 2.951 618 V HA 0.040 4.155 4.120 -0.009 0.000 0.255 618 V C 1.639 177.747 176.094 0.023 0.000 1.088 618 V CA 0.863 63.185 62.300 0.037 0.000 1.109 618 V CB -0.824 31.026 31.823 0.044 0.000 0.724 618 V HN 0.409 nan 8.190 nan 0.000 0.471 619 F N 0.649 120.486 119.950 -0.189 0.000 2.146 619 F HA -0.091 4.430 4.527 -0.009 0.000 0.298 619 F C 1.742 177.314 175.800 -0.379 0.000 1.096 619 F CA 1.901 59.708 58.000 -0.322 0.000 1.275 619 F CB -0.436 38.233 39.000 -0.550 0.000 1.008 619 F HN 0.254 nan 8.300 nan 0.000 0.480 620 F N -2.094 117.717 119.950 -0.231 0.000 2.270 620 F HA -0.029 4.493 4.527 -0.009 0.000 0.295 620 F C 0.490 176.159 175.800 -0.218 0.000 1.087 620 F CA 0.645 58.445 58.000 -0.333 0.000 1.365 620 F CB -0.335 38.553 39.000 -0.187 0.000 1.056 620 F HN -0.145 nan 8.300 nan 0.000 0.506 621 Y N 3.063 123.316 120.300 -0.079 0.000 2.805 621 Y HA 0.357 4.902 4.550 -0.009 0.000 0.339 621 Y C -2.478 173.394 175.900 -0.048 0.000 1.012 621 Y CA -3.562 54.509 58.100 -0.049 0.000 1.262 621 Y CB 0.247 38.723 38.460 0.027 0.000 1.100 621 Y HN -0.235 nan 8.280 nan 0.000 0.559 622 P HA -0.008 nan 4.420 nan 0.000 0.269 622 P C -0.681 176.622 177.300 0.005 0.000 1.215 622 P CA -0.138 62.932 63.100 -0.050 0.000 0.780 622 P CB 0.943 32.622 31.700 -0.035 0.000 0.898 623 R N 2.421 122.963 120.500 0.071 0.000 2.234 623 R HA 0.322 4.657 4.340 -0.009 0.000 0.324 623 R C -1.060 175.294 176.300 0.089 0.000 1.054 623 R CA -0.615 55.547 56.100 0.103 0.000 0.912 623 R CB -0.015 30.341 30.300 0.093 0.000 1.030 623 R HN 0.345 nan 8.270 nan 0.000 0.455 624 L N 6.610 127.891 121.223 0.097 0.000 2.316 624 L HA 0.351 4.685 4.340 -0.009 0.000 0.280 624 L C -1.497 175.479 176.870 0.176 0.000 1.006 624 L CA -0.657 54.255 54.840 0.120 0.000 0.836 624 L CB 1.488 43.572 42.059 0.041 0.000 1.221 624 L HN 0.507 nan 8.230 nan 0.000 0.418 625 L N 7.645 128.994 121.223 0.210 0.000 2.280 625 L HA 0.571 4.906 4.340 -0.009 0.000 0.287 625 L C -2.245 174.763 176.870 0.231 0.000 1.023 625 L CA -1.718 53.236 54.840 0.190 0.000 0.819 625 L CB 1.143 43.275 42.059 0.121 0.000 1.212 625 L HN 0.446 nan 8.230 nan 0.000 0.420 626 P HA 0.266 nan 4.420 nan 0.000 0.280 626 P C 0.371 177.598 177.300 -0.121 0.000 1.244 626 P CA -0.358 62.677 63.100 -0.108 0.000 0.784 626 P CB 1.982 33.672 31.700 -0.017 0.000 0.913 627 L N 2.073 123.170 121.223 -0.209 0.000 2.349 627 L HA -0.004 4.331 4.340 -0.009 0.000 0.200 627 L C 2.472 179.284 176.870 -0.097 0.000 1.064 627 L CA 1.241 56.021 54.840 -0.100 0.000 0.821 627 L CB -1.266 40.756 42.059 -0.062 0.000 1.027 627 L HN 0.310 nan 8.230 nan 0.000 0.476 628 T N -2.010 112.463 114.554 -0.136 0.000 2.788 628 T HA -0.083 4.262 4.350 -0.009 0.000 0.268 628 T C 0.971 175.641 174.700 -0.049 0.000 1.044 628 T CA 0.929 62.980 62.100 -0.082 0.000 1.139 628 T CB -0.073 68.751 68.868 -0.074 0.000 0.867 628 T HN -0.023 nan 8.240 nan 0.000 0.454 629 K N 1.563 121.933 120.400 -0.050 0.000 2.530 629 K HA 0.550 4.865 4.320 -0.009 0.000 0.230 629 K C -0.684 175.911 176.600 -0.008 0.000 1.002 629 K CA -0.155 56.121 56.287 -0.018 0.000 1.014 629 K CB 1.420 33.918 32.500 -0.003 0.000 1.286 629 K HN 0.150 nan 8.250 nan 0.000 0.480 630 S N 2.436 118.133 115.700 -0.006 0.000 4.698 630 S HA -0.021 4.443 4.470 -0.009 0.000 0.039 630 S C -2.844 171.756 174.600 -0.001 0.000 0.861 630 S CA -0.816 57.385 58.200 0.002 0.000 0.892 630 S CB 0.013 63.217 63.200 0.008 0.000 0.350 630 S HN 0.433 nan 8.310 nan 0.000 0.803 631 P HA 0.525 nan 4.420 nan 0.000 0.270 631 P C -0.217 177.083 177.300 -0.001 0.000 1.551 631 P CA -0.369 62.728 63.100 -0.004 0.000 1.049 631 P CB 1.113 32.809 31.700 -0.007 0.000 1.397 632 V N 2.460 122.375 119.914 0.001 0.000 2.909 632 V HA 0.044 4.158 4.120 -0.009 0.000 0.362 632 V C 1.618 177.713 176.094 0.002 0.000 1.356 632 V CA -0.118 62.183 62.300 0.003 0.000 1.195 632 V CB -0.682 31.145 31.823 0.006 0.000 1.256 632 V HN 0.634 nan 8.190 nan 0.000 0.567 633 E N 1.202 121.402 120.200 -0.001 0.000 4.239 633 E HA -0.495 3.850 4.350 -0.009 0.000 0.203 633 E C 1.844 178.444 176.600 -0.000 0.000 1.320 633 E CA 2.701 59.100 56.400 -0.002 0.000 2.188 633 E CB -0.977 28.721 29.700 -0.003 0.000 1.910 633 E HN 0.608 nan 8.360 nan 0.000 0.267 634 S N -1.701 113.999 115.700 0.001 0.000 2.541 634 S HA 0.014 4.478 4.470 -0.009 0.000 0.219 634 S C 1.499 176.103 174.600 0.006 0.000 1.025 634 S CA 1.214 59.416 58.200 0.003 0.000 0.917 634 S CB 0.368 63.569 63.200 0.002 0.000 0.859 634 S HN 0.376 nan 8.310 nan 0.000 0.584 635 T N 1.268 115.826 114.554 0.007 0.000 3.722 635 T HA 0.207 4.551 4.350 -0.009 0.000 0.247 635 T C 0.758 175.464 174.700 0.010 0.000 1.004 635 T CA 1.221 63.326 62.100 0.009 0.000 0.947 635 T CB -0.933 67.940 68.868 0.008 0.000 1.114 635 T HN 0.556 nan 8.240 nan 0.000 0.633 636 T N -0.326 114.234 114.554 0.010 0.000 3.254 636 T HA 0.170 4.515 4.350 -0.009 0.000 0.267 636 T C -0.027 174.682 174.700 0.015 0.000 0.946 636 T CA 0.332 62.440 62.100 0.012 0.000 0.991 636 T CB -0.127 68.747 68.868 0.009 0.000 1.205 636 T HN 0.366 nan 8.240 nan 0.000 0.494 637 E N 3.453 123.661 120.200 0.013 0.000 1.357 637 E HA -0.110 4.234 4.350 -0.009 0.000 0.313 637 E C -2.525 174.089 176.600 0.024 0.000 1.457 637 E CA 0.070 56.480 56.400 0.017 0.000 1.143 637 E CB -0.167 29.543 29.700 0.017 0.000 0.669 637 E HN 0.376 nan 8.360 nan 0.000 0.334 638 P HA 0.017 nan 4.420 nan 0.000 0.253 638 P C -2.292 175.037 177.300 0.049 0.000 1.170 638 P CA -0.629 62.493 63.100 0.036 0.000 0.806 638 P CB 0.062 31.783 31.700 0.034 0.000 0.775 639 P HA 0.108 nan 4.420 nan 0.000 0.274 639 P C -0.046 177.299 177.300 0.076 0.000 1.231 639 P CA -0.261 62.872 63.100 0.056 0.000 0.790 639 P CB 0.741 32.469 31.700 0.048 0.000 0.951 640 A N 2.071 124.939 122.820 0.080 0.000 2.483 640 A HA 0.327 4.641 4.320 -0.009 0.000 0.238 640 A C 0.063 177.712 177.584 0.109 0.000 1.070 640 A CA -0.009 52.090 52.037 0.104 0.000 0.770 640 A CB -0.129 18.939 19.000 0.113 0.000 1.008 640 A HN 0.413 nan 8.150 nan 0.000 0.497 641 V N 2.236 122.224 119.914 0.123 0.000 2.914 641 V HA 0.407 4.522 4.120 -0.009 0.000 0.314 641 V C 0.678 176.837 176.094 0.109 0.000 1.084 641 V CA -0.909 61.455 62.300 0.107 0.000 0.963 641 V CB 1.816 33.706 31.823 0.110 0.000 1.025 641 V HN 1.095 nan 8.190 nan 0.000 0.432 642 R N 2.884 123.442 120.500 0.096 0.000 2.500 642 R HA 0.065 4.399 4.340 -0.009 0.000 0.281 642 R C 0.282 176.588 176.300 0.011 0.000 0.953 642 R CA 0.637 56.805 56.100 0.114 0.000 1.108 642 R CB 0.289 30.629 30.300 0.067 0.000 0.901 642 R HN 0.876 nan 8.270 nan 0.000 0.410 643 A N 4.361 127.149 122.820 -0.053 0.000 2.990 643 A HA 0.210 4.525 4.320 -0.009 0.000 0.282 643 A C -0.275 177.172 177.584 -0.228 0.000 1.688 643 A CA 0.173 52.050 52.037 -0.266 0.000 1.391 643 A CB -0.003 18.636 19.000 -0.601 0.000 1.112 643 A HN 0.613 nan 8.150 nan 0.000 0.588 644 S N 0.383 115.969 115.700 -0.191 0.000 2.556 644 S HA 0.350 4.815 4.470 -0.009 0.000 0.271 644 S C 0.805 175.274 174.600 -0.219 0.000 1.135 644 S CA -0.104 57.995 58.200 -0.168 0.000 0.858 644 S CB 1.052 64.201 63.200 -0.085 0.000 1.114 644 S HN 0.698 nan 8.310 nan 0.000 0.468 645 E N 1.557 121.635 120.200 -0.203 0.000 2.409 645 E HA -0.087 4.257 4.350 -0.009 0.000 0.198 645 E C 0.795 177.284 176.600 -0.185 0.000 1.024 645 E CA 0.829 57.088 56.400 -0.236 0.000 0.861 645 E CB -0.152 29.454 29.700 -0.157 0.000 0.788 645 E HN 0.743 nan 8.360 nan 0.000 0.521 646 E N 0.603 120.729 120.200 -0.124 0.000 2.274 646 E HA -0.044 4.300 4.350 -0.009 0.000 0.194 646 E C 1.776 178.326 176.600 -0.082 0.000 0.996 646 E CA 0.301 56.656 56.400 -0.075 0.000 0.840 646 E CB 0.146 29.823 29.700 -0.039 0.000 0.772 646 E HN 0.120 nan 8.360 nan 0.000 0.491 647 R N 0.253 120.671 120.500 -0.137 0.000 2.276 647 R HA 0.146 4.480 4.340 -0.009 0.000 0.196 647 R C 0.400 176.572 176.300 -0.213 0.000 0.961 647 R CA 0.190 56.216 56.100 -0.124 0.000 1.024 647 R CB -0.003 30.224 30.300 -0.121 0.000 0.940 647 R HN 0.162 nan 8.270 nan 0.000 0.480 648 L N 1.577 122.583 121.223 -0.361 0.000 2.278 648 L HA 0.205 4.539 4.340 -0.009 0.000 0.287 648 L C 0.673 177.522 176.870 -0.036 0.000 1.072 648 L CA -0.306 54.232 54.840 -0.503 0.000 0.819 648 L CB 1.274 42.753 42.059 -0.966 0.000 1.176 648 L HN -0.095 nan 8.230 nan 0.000 0.435 649 S N 2.284 118.149 115.700 0.275 0.000 2.585 649 S HA 0.205 4.670 4.470 -0.009 0.000 0.277 649 S C 1.095 175.924 174.600 0.382 0.000 1.241 649 S CA -0.754 57.617 58.200 0.284 0.000 1.041 649 S CB 0.907 64.264 63.200 0.262 0.000 0.987 649 S HN 0.626 nan 8.310 nan 0.000 0.512 650 N N 3.346 122.190 118.700 0.240 0.000 2.289 650 N HA -0.041 4.693 4.740 -0.009 0.000 0.184 650 N C 1.222 176.781 175.510 0.081 0.000 1.016 650 N CA 1.204 54.358 53.050 0.174 0.000 0.872 650 N CB -0.325 38.203 38.487 0.068 0.000 0.973 650 N HN 0.770 nan 8.380 nan 0.000 0.433 651 G N -0.350 108.512 108.800 0.103 0.000 3.707 651 G HA2 0.119 4.074 3.960 -0.009 0.000 0.286 651 G HA3 0.119 4.074 3.960 -0.009 0.000 0.286 651 G C -0.268 174.681 174.900 0.082 0.000 1.112 651 G CA -0.241 44.889 45.100 0.050 0.000 0.861 651 G HN 0.049 nan 8.290 nan 0.000 0.534 652 D N -0.351 120.154 120.400 0.176 0.000 2.566 652 D HA 0.533 5.167 4.640 -0.009 0.000 0.254 652 D C -0.617 175.796 176.300 0.189 0.000 1.090 652 D CA -0.350 53.723 54.000 0.122 0.000 1.034 652 D CB 2.523 43.354 40.800 0.052 0.000 1.434 652 D HN -0.061 nan 8.370 nan 0.000 0.509 653 I N 0.651 121.204 120.570 -0.028 0.000 2.608 653 I HA 0.379 4.544 4.170 -0.009 0.000 0.295 653 I C -1.232 174.818 176.117 -0.113 0.000 1.049 653 I CA -0.703 60.664 61.300 0.113 0.000 1.063 653 I CB 1.648 39.704 38.000 0.094 0.000 1.248 653 I HN 0.241 nan 8.210 nan 0.000 0.424 654 Y N 4.519 125.012 120.300 0.322 0.000 2.581 654 Y HA 0.613 5.158 4.550 -0.009 0.000 0.345 654 Y C -0.625 175.415 175.900 0.233 0.000 1.036 654 Y CA -0.864 57.387 58.100 0.251 0.000 1.042 654 Y CB 1.830 40.440 38.460 0.249 0.000 1.289 654 Y HN 0.244 nan 8.280 nan 0.000 0.471 655 L N 3.062 124.486 121.223 0.335 0.000 2.341 655 L HA 0.623 4.957 4.340 -0.009 0.000 0.278 655 L C -1.276 175.754 176.870 0.267 0.000 1.005 655 L CA -0.896 54.096 54.840 0.252 0.000 0.818 655 L CB 2.106 44.252 42.059 0.146 0.000 1.259 655 L HN 0.551 nan 8.230 nan 0.000 0.418 656 L N 4.243 125.644 121.223 0.297 0.000 2.410 656 L HA 0.538 4.872 4.340 -0.009 0.000 0.270 656 L C -0.943 176.050 176.870 0.204 0.000 0.983 656 L CA -0.155 54.840 54.840 0.258 0.000 0.822 656 L CB 1.944 44.200 42.059 0.329 0.000 1.285 656 L HN 0.639 nan 8.230 nan 0.000 0.409 657 E N 3.910 124.178 120.200 0.113 0.000 2.272 657 E HA 0.275 4.619 4.350 -0.009 0.000 0.269 657 E C -1.268 175.371 176.600 0.066 0.000 0.877 657 E CA -0.574 55.863 56.400 0.061 0.000 0.755 657 E CB 1.668 31.386 29.700 0.031 0.000 1.192 657 E HN 0.764 nan 8.360 nan 0.000 0.422 658 N N 3.105 121.853 118.700 0.080 0.000 2.238 658 N HA 0.160 4.895 4.740 -0.009 0.000 0.235 658 N C 0.920 176.511 175.510 0.135 0.000 1.209 658 N CA 0.434 53.556 53.050 0.120 0.000 0.879 658 N CB 0.963 39.577 38.487 0.210 0.000 1.136 658 N HN 0.804 nan 8.380 nan 0.000 0.517 659 G N 0.497 109.340 108.800 0.073 0.000 2.225 659 G HA2 -0.284 3.671 3.960 -0.009 0.000 0.254 659 G HA3 -0.284 3.671 3.960 -0.009 0.000 0.254 659 G C 0.551 175.475 174.900 0.040 0.000 0.988 659 G CA 0.638 45.764 45.100 0.044 0.000 0.625 659 G HN 0.343 nan 8.290 nan 0.000 0.527 660 L N -0.957 120.317 121.223 0.084 0.000 2.624 660 L HA 0.393 4.728 4.340 -0.009 0.000 0.222 660 L C 0.876 177.777 176.870 0.053 0.000 1.046 660 L CA 0.134 55.021 54.840 0.080 0.000 0.872 660 L CB 0.160 42.295 42.059 0.126 0.000 1.190 660 L HN 0.118 nan 8.230 nan 0.000 0.487 661 N N 0.099 118.806 118.700 0.011 0.000 2.265 661 N HA 0.526 5.260 4.740 -0.009 0.000 0.300 661 N C -1.609 173.692 175.510 -0.349 0.000 1.148 661 N CA -0.391 52.538 53.050 -0.202 0.000 0.772 661 N CB 3.394 41.720 38.487 -0.267 0.000 1.434 661 N HN -0.089 nan 8.380 nan 0.000 0.481 662 L N 1.792 122.698 121.223 -0.529 0.000 2.346 662 L HA 0.596 4.931 4.340 -0.009 0.000 0.276 662 L C -1.473 175.026 176.870 -0.617 0.000 1.006 662 L CA -0.626 53.989 54.840 -0.376 0.000 0.817 662 L CB 1.050 42.984 42.059 -0.208 0.000 1.272 662 L HN 0.455 nan 8.230 nan 0.000 0.421 663 F N 4.364 124.321 119.950 0.012 0.000 2.565 663 F HA 0.475 4.997 4.527 -0.009 0.000 0.313 663 F C -0.590 175.271 175.800 0.102 0.000 1.091 663 F CA -0.731 57.308 58.000 0.065 0.000 0.915 663 F CB 1.959 41.055 39.000 0.160 0.000 1.208 663 F HN 0.144 nan 8.300 nan 0.000 0.453 664 L N 3.563 124.940 121.223 0.257 0.000 2.324 664 L HA 0.422 4.757 4.340 -0.009 0.000 0.274 664 L C -1.556 175.436 176.870 0.204 0.000 1.012 664 L CA -0.610 54.364 54.840 0.223 0.000 0.859 664 L CB 0.505 42.668 42.059 0.173 0.000 1.224 664 L HN 0.680 nan 8.230 nan 0.000 0.429 665 W N 6.248 127.561 121.300 0.021 0.000 2.322 665 W HA 0.610 5.264 4.660 -0.009 0.000 0.307 665 W C -0.984 175.599 176.519 0.106 0.000 1.220 665 W CA -0.410 56.874 57.345 -0.102 0.000 1.210 665 W CB 1.175 30.474 29.460 -0.268 0.000 1.223 665 W HN 0.321 nan 8.180 nan 0.000 0.511 666 V N 7.392 126.991 119.914 -0.525 0.000 2.384 666 V HA 0.506 4.621 4.120 -0.009 0.000 0.287 666 V C 0.824 176.435 176.094 -0.805 0.000 1.020 666 V CA -0.885 61.200 62.300 -0.359 0.000 0.850 666 V CB 0.813 32.609 31.823 -0.044 0.000 0.987 666 V HN 0.734 nan 8.190 nan 0.000 0.436 667 G N 2.919 111.341 108.800 -0.630 0.000 2.441 667 G HA2 0.403 4.357 3.960 -0.009 0.000 0.243 667 G HA3 0.403 4.357 3.960 -0.009 0.000 0.243 667 G C 1.050 175.513 174.900 -0.729 0.000 1.281 667 G CA 0.241 44.969 45.100 -0.619 0.000 0.854 667 G HN 1.049 nan 8.290 nan 0.000 0.560 668 A N 1.805 124.053 122.820 -0.954 0.000 1.978 668 A HA -0.009 4.305 4.320 -0.009 0.000 0.220 668 A C 2.258 179.293 177.584 -0.916 0.000 1.170 668 A CA 1.859 52.925 52.037 -1.617 0.000 0.636 668 A CB -0.134 18.357 19.000 -0.849 0.000 0.810 668 A HN 0.552 nan 8.150 nan 0.000 0.448 669 S N -0.158 115.277 115.700 -0.440 0.000 2.679 669 S HA 0.272 4.736 4.470 -0.009 0.000 0.233 669 S C 0.281 174.799 174.600 -0.137 0.000 0.951 669 S CA -0.388 57.680 58.200 -0.220 0.000 0.973 669 S CB -0.333 62.801 63.200 -0.110 0.000 0.778 669 S HN 0.250 nan 8.310 nan 0.000 0.477 670 V N 2.346 122.161 119.914 -0.166 0.000 2.872 670 V HA 0.028 4.142 4.120 -0.009 0.000 0.307 670 V C 0.687 176.785 176.094 0.008 0.000 1.072 670 V CA -0.090 62.191 62.300 -0.031 0.000 1.148 670 V CB 0.654 32.502 31.823 0.041 0.000 0.954 670 V HN 0.363 nan 8.190 nan 0.000 0.490 671 Q N 2.563 122.378 119.800 0.025 0.000 2.337 671 Q HA 0.031 4.366 4.340 -0.009 0.000 0.270 671 Q C 1.048 177.078 176.000 0.049 0.000 1.002 671 Q CA 0.732 56.553 55.803 0.029 0.000 0.888 671 Q CB 0.676 29.429 28.738 0.024 0.000 1.222 671 Q HN 0.703 nan 8.270 nan 0.000 0.400 672 Q N 2.768 122.594 119.800 0.044 0.000 2.077 672 Q HA -0.230 4.105 4.340 -0.009 0.000 0.206 672 Q C 1.384 177.416 176.000 0.053 0.000 0.989 672 Q CA 1.908 57.742 55.803 0.053 0.000 0.853 672 Q CB -0.391 28.370 28.738 0.038 0.000 0.907 672 Q HN 1.003 nan 8.270 nan 0.000 0.418 673 G N -0.137 108.686 108.800 0.039 0.000 2.440 673 G HA2 -0.252 3.702 3.960 -0.009 0.000 0.218 673 G HA3 -0.252 3.702 3.960 -0.009 0.000 0.218 673 G C 1.420 176.344 174.900 0.039 0.000 1.154 673 G CA 1.040 46.160 45.100 0.032 0.000 0.767 673 G HN 0.319 nan 8.290 nan 0.000 0.552 674 V N 0.478 120.421 119.914 0.048 0.000 2.295 674 V HA -0.181 3.933 4.120 -0.009 0.000 0.246 674 V C 3.070 179.225 176.094 0.102 0.000 1.049 674 V CA 1.588 63.921 62.300 0.056 0.000 1.024 674 V CB -0.350 31.509 31.823 0.060 0.000 0.648 674 V HN 0.267 nan 8.190 nan 0.000 0.447 675 V N -0.433 119.573 119.914 0.152 0.000 2.332 675 V HA -0.351 3.763 4.120 -0.009 0.000 0.248 675 V C 2.419 178.639 176.094 0.211 0.000 1.055 675 V CA 2.173 64.628 62.300 0.258 0.000 1.038 675 V CB -0.804 31.128 31.823 0.180 0.000 0.651 675 V HN 0.591 nan 8.190 nan 0.000 0.450 676 Q N -0.193 119.673 119.800 0.110 0.000 2.084 676 Q HA -0.159 4.175 4.340 -0.009 0.000 0.202 676 Q C 2.494 178.516 176.000 0.035 0.000 0.978 676 Q CA 1.886 57.731 55.803 0.070 0.000 0.844 676 Q CB -0.260 28.503 28.738 0.043 0.000 0.898 676 Q HN 0.593 nan 8.270 nan 0.000 0.426 677 S N 0.488 116.196 115.700 0.014 0.000 2.423 677 S HA -0.029 4.435 4.470 -0.009 0.000 0.231 677 S C 1.748 176.295 174.600 -0.089 0.000 1.014 677 S CA 0.794 58.978 58.200 -0.027 0.000 0.965 677 S CB 0.081 63.267 63.200 -0.025 0.000 0.785 677 S HN 0.269 nan 8.310 nan 0.000 0.495 678 L N -1.600 119.538 121.223 -0.141 0.000 2.500 678 L HA 0.300 4.635 4.340 -0.009 0.000 0.219 678 L C 0.889 177.382 176.870 -0.629 0.000 1.057 678 L CA 0.674 55.263 54.840 -0.419 0.000 0.854 678 L CB 0.157 41.852 42.059 -0.608 0.000 1.078 678 L HN 0.293 nan 8.230 nan 0.000 0.480 679 F N -2.147 117.790 119.950 -0.021 0.000 2.746 679 F HA 0.217 4.739 4.527 -0.009 0.000 0.313 679 F C 1.453 177.236 175.800 -0.029 0.000 1.095 679 F CA 0.034 58.015 58.000 -0.031 0.000 1.224 679 F CB 0.570 39.541 39.000 -0.048 0.000 1.060 679 F HN -0.185 nan 8.300 nan 0.000 0.584 680 S N 1.070 116.837 115.700 0.112 0.000 3.698 680 S HA -0.125 4.340 4.470 -0.009 0.000 0.338 680 S C -0.242 174.399 174.600 0.067 0.000 1.089 680 S CA 0.481 58.719 58.200 0.064 0.000 0.991 680 S CB -1.635 61.586 63.200 0.036 0.000 0.909 680 S HN 0.386 nan 8.310 nan 0.000 0.485 681 V N -2.284 117.682 119.914 0.086 0.000 3.141 681 V HA 0.886 5.000 4.120 -0.009 0.000 0.312 681 V C 0.894 177.013 176.094 0.041 0.000 1.157 681 V CA -0.020 62.305 62.300 0.042 0.000 1.041 681 V CB 1.821 33.649 31.823 0.009 0.000 1.071 681 V HN 0.095 nan 8.190 nan 0.000 0.441 682 S N 0.743 116.455 115.700 0.020 0.000 2.503 682 S HA 0.246 4.710 4.470 -0.009 0.000 0.217 682 S C 0.703 175.320 174.600 0.029 0.000 0.999 682 S CA 0.589 58.803 58.200 0.025 0.000 0.914 682 S CB -0.126 63.084 63.200 0.017 0.000 0.782 682 S HN 1.282 nan 8.310 nan 0.000 0.520 683 S N -0.366 115.342 115.700 0.015 0.000 2.595 683 S HA 0.557 5.022 4.470 -0.009 0.000 0.281 683 S C 0.284 174.895 174.600 0.017 0.000 1.117 683 S CA -0.779 57.442 58.200 0.035 0.000 0.873 683 S CB 0.732 63.951 63.200 0.032 0.000 1.108 683 S HN 0.066 nan 8.310 nan 0.000 0.477 684 F N 2.889 122.793 119.950 -0.077 0.000 2.115 684 F HA -0.163 4.359 4.527 -0.009 0.000 0.300 684 F C 2.609 178.320 175.800 -0.150 0.000 1.092 684 F CA 2.606 60.529 58.000 -0.129 0.000 1.245 684 F CB -0.697 38.234 39.000 -0.116 0.000 0.995 684 F HN 0.801 nan 8.300 nan 0.000 0.481 685 S N -0.461 115.170 115.700 -0.114 0.000 2.419 685 S HA -0.255 4.210 4.470 -0.009 0.000 0.233 685 S C 1.699 176.155 174.600 -0.240 0.000 1.016 685 S CA 1.353 59.439 58.200 -0.191 0.000 0.974 685 S CB -0.785 62.394 63.200 -0.035 0.000 0.786 685 S HN 0.717 nan 8.310 nan 0.000 0.492 686 Q N 0.324 120.003 119.800 -0.201 0.000 2.451 686 Q HA 0.319 4.654 4.340 -0.009 0.000 0.206 686 Q C 0.068 175.924 176.000 -0.240 0.000 0.947 686 Q CA 0.045 55.746 55.803 -0.169 0.000 0.937 686 Q CB -0.142 28.539 28.738 -0.094 0.000 1.025 686 Q HN 0.628 nan 8.270 nan 0.000 0.511 687 I N 1.652 121.976 120.570 -0.410 0.000 2.648 687 I HA -0.031 4.134 4.170 -0.009 0.000 0.284 687 I C 0.283 176.149 176.117 -0.419 0.000 1.153 687 I CA 0.113 61.087 61.300 -0.544 0.000 1.426 687 I CB 0.887 38.313 38.000 -0.956 0.000 1.381 687 I HN -0.081 nan 8.210 nan 0.000 0.571 688 T N 5.198 119.574 114.554 -0.298 0.000 2.779 688 T HA 0.030 4.374 4.350 -0.009 0.000 0.296 688 T C 0.327 174.913 174.700 -0.190 0.000 0.938 688 T CA -0.157 61.832 62.100 -0.185 0.000 1.119 688 T CB 0.608 69.423 68.868 -0.088 0.000 0.891 688 T HN 0.577 nan 8.240 nan 0.000 0.526 689 S N 2.553 118.156 115.700 -0.162 0.000 2.510 689 S HA 0.425 4.890 4.470 -0.009 0.000 0.279 689 S C 1.409 175.978 174.600 -0.052 0.000 1.284 689 S CA 0.547 58.672 58.200 -0.125 0.000 1.059 689 S CB -0.133 63.007 63.200 -0.099 0.000 0.901 689 S HN 1.147 nan 8.310 nan 0.000 0.491 690 G N 3.334 112.121 108.800 -0.021 0.000 2.160 690 G HA2 -0.227 3.727 3.960 -0.009 0.000 0.244 690 G HA3 -0.227 3.727 3.960 -0.009 0.000 0.244 690 G C -0.078 174.840 174.900 0.030 0.000 1.022 690 G CA 0.119 45.237 45.100 0.030 0.000 0.741 690 G HN 0.771 nan 8.290 nan 0.000 0.508 691 L N 1.610 122.848 121.223 0.024 0.000 2.499 691 L HA 0.528 4.862 4.340 -0.009 0.000 0.273 691 L C 1.588 178.497 176.870 0.065 0.000 1.195 691 L CA 1.405 56.276 54.840 0.052 0.000 0.882 691 L CB 1.052 43.171 42.059 0.100 0.000 1.133 691 L HN 0.626 nan 8.230 nan 0.000 0.483 692 S N 2.886 118.619 115.700 0.054 0.000 2.539 692 S HA 0.310 4.775 4.470 -0.009 0.000 0.221 692 S C 0.008 174.641 174.600 0.056 0.000 0.987 692 S CA -0.138 58.093 58.200 0.053 0.000 0.929 692 S CB 0.138 63.370 63.200 0.053 0.000 0.832 692 S HN 0.303 nan 8.310 nan 0.000 0.492 693 V N 2.399 122.344 119.914 0.052 0.000 2.612 693 V HA 0.472 4.586 4.120 -0.009 0.000 0.301 693 V C -1.013 175.100 176.094 0.031 0.000 1.059 693 V CA -0.863 61.462 62.300 0.041 0.000 0.886 693 V CB 1.648 33.492 31.823 0.036 0.000 1.007 693 V HN 0.245 nan 8.190 nan 0.000 0.426 694 L N 7.609 128.834 121.223 0.003 0.000 2.380 694 L HA 0.496 4.831 4.340 -0.009 0.000 0.273 694 L C -1.695 175.151 176.870 -0.041 0.000 1.138 694 L CA -1.338 53.476 54.840 -0.044 0.000 0.832 694 L CB 0.536 42.530 42.059 -0.107 0.000 1.124 694 L HN 0.489 nan 8.230 nan 0.000 0.454 695 P HA 0.052 nan 4.420 nan 0.000 0.271 695 P C -0.693 176.578 177.300 -0.049 0.000 1.216 695 P CA -0.334 62.748 63.100 -0.030 0.000 0.776 695 P CB 0.735 32.425 31.700 -0.016 0.000 0.881 696 V N 4.716 124.611 119.914 -0.033 0.000 2.381 696 V HA 0.068 4.183 4.120 -0.009 0.000 0.257 696 V C 0.675 176.748 176.094 -0.035 0.000 1.057 696 V CA 0.187 62.466 62.300 -0.035 0.000 1.013 696 V CB -0.679 31.130 31.823 -0.023 0.000 1.069 696 V HN 0.345 nan 8.190 nan 0.000 0.484 697 L N 3.868 125.063 121.223 -0.047 0.000 2.307 697 L HA 0.499 4.834 4.340 -0.009 0.000 0.284 697 L C 0.117 176.966 176.870 -0.036 0.000 1.023 697 L CA -0.691 54.125 54.840 -0.041 0.000 0.810 697 L CB 1.794 43.822 42.059 -0.052 0.000 1.231 697 L HN 0.404 nan 8.230 nan 0.000 0.423 698 D N 4.544 124.928 120.400 -0.026 0.000 2.508 698 D HA 0.147 4.782 4.640 -0.009 0.000 0.224 698 D C -0.761 175.527 176.300 -0.022 0.000 1.171 698 D CA 0.117 54.103 54.000 -0.022 0.000 1.006 698 D CB 0.024 40.814 40.800 -0.017 0.000 1.073 698 D HN 0.643 nan 8.370 nan 0.000 0.513 699 N N 1.353 120.037 118.700 -0.026 0.000 2.598 699 N HA 0.174 4.909 4.740 -0.009 0.000 0.263 699 N C -2.540 172.953 175.510 -0.028 0.000 1.254 699 N CA -1.314 51.722 53.050 -0.024 0.000 0.863 699 N CB 1.784 40.257 38.487 -0.024 0.000 1.586 699 N HN -0.227 nan 8.380 nan 0.000 0.491 700 P HA -0.187 nan 4.420 nan 0.000 0.217 700 P C 1.736 179.019 177.300 -0.029 0.000 1.162 700 P CA 1.115 64.201 63.100 -0.022 0.000 0.901 700 P CB 0.352 32.042 31.700 -0.017 0.000 0.793 701 L N -1.030 120.173 121.223 -0.034 0.000 1.989 701 L HA -0.214 4.121 4.340 -0.009 0.000 0.211 701 L C 2.534 179.367 176.870 -0.062 0.000 1.071 701 L CA 2.063 56.877 54.840 -0.044 0.000 0.749 701 L CB -0.949 41.083 42.059 -0.045 0.000 0.890 701 L HN 0.045 nan 8.230 nan 0.000 0.431 702 S N -0.470 115.187 115.700 -0.072 0.000 2.370 702 S HA -0.249 4.216 4.470 -0.009 0.000 0.226 702 S C 1.921 176.480 174.600 -0.069 0.000 1.033 702 S CA 1.674 59.820 58.200 -0.091 0.000 1.011 702 S CB -0.102 63.045 63.200 -0.088 0.000 0.852 702 S HN 0.390 nan 8.310 nan 0.000 0.457 703 K N 0.558 120.928 120.400 -0.049 0.000 2.057 703 K HA -0.037 4.278 4.320 -0.009 0.000 0.206 703 K C 2.363 178.942 176.600 -0.035 0.000 1.050 703 K CA 1.232 57.497 56.287 -0.038 0.000 0.935 703 K CB -0.153 32.331 32.500 -0.028 0.000 0.715 703 K HN 0.342 nan 8.250 nan 0.000 0.439 704 K N 0.644 121.023 120.400 -0.035 0.000 2.057 704 K HA -0.109 4.206 4.320 -0.009 0.000 0.207 704 K C 2.122 178.703 176.600 -0.032 0.000 1.049 704 K CA 1.321 57.591 56.287 -0.029 0.000 0.931 704 K CB -0.124 32.361 32.500 -0.026 0.000 0.714 704 K HN -0.054 nan 8.250 nan 0.000 0.440 705 V N 1.265 121.152 119.914 -0.045 0.000 2.379 705 V HA -0.194 3.920 4.120 -0.009 0.000 0.245 705 V C 2.214 178.280 176.094 -0.048 0.000 1.044 705 V CA 1.547 63.819 62.300 -0.048 0.000 1.036 705 V CB -0.466 31.312 31.823 -0.075 0.000 0.664 705 V HN 0.260 nan 8.190 nan 0.000 0.453 706 R N 0.278 120.746 120.500 -0.055 0.000 2.075 706 R HA -0.071 4.263 4.340 -0.009 0.000 0.232 706 R C 2.473 178.752 176.300 -0.034 0.000 1.126 706 R CA 1.395 57.467 56.100 -0.047 0.000 0.963 706 R CB -0.775 29.497 30.300 -0.048 0.000 0.858 706 R HN 0.582 nan 8.270 nan 0.000 0.435 707 G N 1.068 109.850 108.800 -0.030 0.000 2.432 707 G HA2 -0.232 3.723 3.960 -0.009 0.000 0.219 707 G HA3 -0.232 3.723 3.960 -0.009 0.000 0.219 707 G C 1.305 176.192 174.900 -0.022 0.000 1.135 707 G CA 0.253 45.340 45.100 -0.023 0.000 0.767 707 G HN 0.143 nan 8.290 nan 0.000 0.550 708 L N 0.687 121.896 121.223 -0.022 0.000 2.044 708 L HA 0.192 4.527 4.340 -0.009 0.000 0.205 708 L C 2.673 179.529 176.870 -0.023 0.000 1.075 708 L CA 1.170 56.000 54.840 -0.016 0.000 0.747 708 L CB -0.425 41.629 42.059 -0.008 0.000 0.903 708 L HN 0.222 nan 8.230 nan 0.000 0.435 709 I N -0.094 120.457 120.570 -0.031 0.000 2.194 709 I HA -0.338 3.826 4.170 -0.009 0.000 0.246 709 I C 1.960 178.038 176.117 -0.065 0.000 1.093 709 I CA 1.523 62.794 61.300 -0.048 0.000 1.355 709 I CB -0.525 37.444 38.000 -0.051 0.000 1.046 709 I HN 0.337 nan 8.210 nan 0.000 0.413 710 D N 0.345 120.715 120.400 -0.050 0.000 2.117 710 D HA -0.111 4.523 4.640 -0.009 0.000 0.198 710 D C 2.396 178.671 176.300 -0.042 0.000 0.982 710 D CA 1.245 55.216 54.000 -0.048 0.000 0.828 710 D CB -0.177 40.607 40.800 -0.027 0.000 0.967 710 D HN 0.212 nan 8.370 nan 0.000 0.464 711 S N 0.707 116.389 115.700 -0.031 0.000 2.359 711 S HA -0.104 4.361 4.470 -0.009 0.000 0.224 711 S C 2.255 176.838 174.600 -0.029 0.000 1.035 711 S CA 0.652 58.838 58.200 -0.024 0.000 1.018 711 S CB -0.317 62.874 63.200 -0.015 0.000 0.876 711 S HN 0.238 nan 8.310 nan 0.000 0.448 712 L N 0.867 122.070 121.223 -0.034 0.000 2.017 712 L HA -0.108 4.226 4.340 -0.009 0.000 0.208 712 L C 2.762 179.597 176.870 -0.058 0.000 1.073 712 L CA 1.353 56.171 54.840 -0.036 0.000 0.745 712 L CB -0.479 41.560 42.059 -0.033 0.000 0.894 712 L HN 0.207 nan 8.230 nan 0.000 0.432 713 R N -0.087 120.356 120.500 -0.095 0.000 2.127 713 R HA -0.158 4.176 4.340 -0.009 0.000 0.238 713 R C 2.334 178.591 176.300 -0.072 0.000 1.134 713 R CA 1.291 57.310 56.100 -0.136 0.000 0.975 713 R CB -0.449 29.706 30.300 -0.241 0.000 0.865 713 R HN 0.382 nan 8.270 nan 0.000 0.447 714 A N 1.403 124.196 122.820 -0.045 0.000 2.067 714 A HA -0.167 4.147 4.320 -0.009 0.000 0.219 714 A C 1.695 179.271 177.584 -0.014 0.000 1.158 714 A CA 1.090 53.116 52.037 -0.019 0.000 0.661 714 A CB -0.216 18.775 19.000 -0.014 0.000 0.801 714 A HN 0.496 nan 8.150 nan 0.000 0.452 715 Q N -1.010 118.778 119.800 -0.021 0.000 2.204 715 Q HA 0.264 4.598 4.340 -0.009 0.000 0.209 715 Q C -0.399 175.591 176.000 -0.016 0.000 0.861 715 Q CA -0.339 55.452 55.803 -0.020 0.000 0.971 715 Q CB 0.413 29.137 28.738 -0.024 0.000 1.095 715 Q HN 0.219 nan 8.270 nan 0.000 0.486 716 R N 0.155 120.649 120.500 -0.010 0.000 2.686 716 R HA 0.354 4.689 4.340 -0.009 0.000 0.286 716 R C 0.373 176.688 176.300 0.024 0.000 0.969 716 R CA -0.606 55.493 56.100 -0.002 0.000 0.898 716 R CB 1.724 32.018 30.300 -0.010 0.000 1.183 716 R HN 0.024 nan 8.270 nan 0.000 0.456 717 S N 1.420 117.137 115.700 0.027 0.000 2.368 717 S HA -0.034 4.431 4.470 -0.009 0.000 0.225 717 S C 0.749 175.420 174.600 0.117 0.000 1.030 717 S CA 1.178 59.413 58.200 0.059 0.000 0.999 717 S CB 0.083 63.300 63.200 0.030 0.000 0.844 717 S HN 0.237 nan 8.310 nan 0.000 0.459 718 R N 0.459 121.025 120.500 0.111 0.000 2.486 718 R HA 0.309 4.644 4.340 -0.009 0.000 0.286 718 R C -0.778 175.650 176.300 0.213 0.000 0.999 718 R CA -0.659 55.560 56.100 0.198 0.000 0.993 718 R CB 0.362 30.753 30.300 0.151 0.000 1.084 718 R HN 0.321 nan 8.270 nan 0.000 0.487 719 Y N 2.728 123.124 120.300 0.160 0.000 2.496 719 Y HA 0.069 4.613 4.550 -0.009 0.000 0.334 719 Y C 0.154 176.120 175.900 0.110 0.000 1.080 719 Y CA 0.197 58.373 58.100 0.126 0.000 1.355 719 Y CB 0.485 39.036 38.460 0.153 0.000 1.193 719 Y HN 0.410 nan 8.280 nan 0.000 0.523 720 M N 7.923 127.431 119.600 -0.153 0.000 2.105 720 M HA 0.149 4.624 4.480 -0.009 0.000 0.350 720 M C 0.016 176.266 176.300 -0.082 0.000 1.308 720 M CA -0.110 55.141 55.300 -0.081 0.000 1.108 720 M CB 0.685 33.202 32.600 -0.138 0.000 1.622 720 M HN 0.607 nan 8.290 nan 0.000 0.468 721 K N 2.919 123.382 120.400 0.104 0.000 2.414 721 K HA 0.244 4.558 4.320 -0.009 0.000 0.272 721 K C -1.094 175.466 176.600 -0.067 0.000 0.993 721 K CA -0.351 56.012 56.287 0.127 0.000 0.964 721 K CB 0.696 33.279 32.500 0.139 0.000 0.925 721 K HN 0.567 nan 8.250 nan 0.000 0.487 722 L N 2.326 123.529 121.223 -0.033 0.000 2.331 722 L HA 0.472 4.807 4.340 -0.009 0.000 0.275 722 L C -1.216 175.609 176.870 -0.075 0.000 1.022 722 L CA 0.258 55.037 54.840 -0.100 0.000 0.812 722 L CB 2.194 44.231 42.059 -0.037 0.000 1.257 722 L HN 0.696 nan 8.230 nan 0.000 0.435 723 T N 3.722 118.213 114.554 -0.104 0.000 3.011 723 T HA 0.422 4.766 4.350 -0.009 0.000 0.303 723 T C -0.976 173.791 174.700 0.113 0.000 0.997 723 T CA -0.402 61.712 62.100 0.023 0.000 1.007 723 T CB 1.445 70.357 68.868 0.073 0.000 1.017 723 T HN 0.362 nan 8.240 nan 0.000 0.443 724 V N 4.120 124.095 119.914 0.102 0.000 2.432 724 V HA 0.330 4.445 4.120 -0.009 0.000 0.271 724 V C 0.063 176.179 176.094 0.037 0.000 1.046 724 V CA -0.399 61.961 62.300 0.099 0.000 0.945 724 V CB 1.158 33.053 31.823 0.120 0.000 0.992 724 V HN 0.701 nan 8.190 nan 0.000 0.471 725 V N 6.292 126.203 119.914 -0.005 0.000 2.357 725 V HA 0.377 4.491 4.120 -0.009 0.000 0.284 725 V C 0.124 176.058 176.094 -0.267 0.000 1.018 725 V CA -0.996 61.246 62.300 -0.096 0.000 0.841 725 V CB 1.451 33.184 31.823 -0.150 0.000 0.991 725 V HN 0.794 nan 8.190 nan 0.000 0.437 726 K N 3.008 123.274 120.400 -0.223 0.000 2.201 726 K HA 0.256 4.571 4.320 -0.009 0.000 0.278 726 K C 1.032 177.552 176.600 -0.134 0.000 1.027 726 K CA -0.356 55.803 56.287 -0.212 0.000 0.909 726 K CB 1.506 33.838 32.500 -0.281 0.000 1.062 726 K HN 0.694 nan 8.250 nan 0.000 0.465 727 Q N 1.683 121.326 119.800 -0.260 0.000 2.315 727 Q HA -0.244 4.091 4.340 -0.009 0.000 0.213 727 Q C -0.390 175.673 176.000 0.106 0.000 0.994 727 Q CA 1.685 57.409 55.803 -0.132 0.000 0.906 727 Q CB 0.262 28.838 28.738 -0.269 0.000 0.918 727 Q HN 0.517 nan 8.270 nan 0.000 0.427 728 E N 0.073 120.344 120.200 0.118 0.000 2.235 728 E HA 0.160 4.504 4.350 -0.009 0.000 0.265 728 E C -0.655 175.997 176.600 0.087 0.000 0.940 728 E CA -0.796 55.671 56.400 0.110 0.000 0.819 728 E CB 1.034 30.799 29.700 0.107 0.000 1.206 728 E HN 0.154 nan 8.360 nan 0.000 0.409 729 D N 1.304 121.752 120.400 0.080 0.000 4.393 729 D HA -0.282 4.352 4.640 -0.009 0.000 0.300 729 D C 0.462 176.803 176.300 0.068 0.000 2.390 729 D CA 1.763 55.802 54.000 0.064 0.000 1.054 729 D CB 0.130 40.956 40.800 0.043 0.000 1.107 729 D HN 0.649 nan 8.370 nan 0.000 1.279 730 K N -1.319 119.116 120.400 0.058 0.000 2.179 730 K HA -0.316 3.998 4.320 -0.009 0.000 0.144 730 K C 1.852 178.509 176.600 0.095 0.000 1.469 730 K CA 2.294 58.619 56.287 0.063 0.000 0.623 730 K CB -0.886 31.639 32.500 0.041 0.000 0.552 730 K HN 0.562 nan 8.250 nan 0.000 0.958 731 M N 0.480 120.144 119.600 0.107 0.000 2.413 731 M HA -0.226 4.248 4.480 -0.009 0.000 0.258 731 M C 1.921 178.343 176.300 0.203 0.000 1.081 731 M CA 1.944 57.338 55.300 0.156 0.000 1.047 731 M CB -0.455 32.246 32.600 0.167 0.000 1.390 731 M HN 0.452 nan 8.290 nan 0.000 0.438 732 E N 0.665 120.979 120.200 0.190 0.000 2.204 732 E HA -0.231 4.113 4.350 -0.009 0.000 0.195 732 E C 1.887 178.663 176.600 0.294 0.000 0.990 732 E CA 1.121 57.692 56.400 0.285 0.000 0.821 732 E CB 0.053 29.922 29.700 0.282 0.000 0.750 732 E HN 0.415 nan 8.360 nan 0.000 0.477 733 M N 0.144 119.862 119.600 0.196 0.000 2.175 733 M HA -0.068 4.407 4.480 -0.009 0.000 0.264 733 M C 1.850 178.234 176.300 0.140 0.000 1.063 733 M CA 1.274 56.661 55.300 0.144 0.000 1.119 733 M CB 0.045 32.706 32.600 0.101 0.000 1.377 733 M HN 0.135 nan 8.290 nan 0.000 0.415 734 L N -2.085 119.244 121.223 0.178 0.000 2.313 734 L HA -0.086 4.249 4.340 -0.009 0.000 0.214 734 L C 2.106 179.122 176.870 0.243 0.000 1.119 734 L CA 0.436 55.389 54.840 0.188 0.000 0.809 734 L CB -0.743 41.451 42.059 0.225 0.000 0.933 734 L HN 0.232 nan 8.230 nan 0.000 0.449 735 F N 1.365 121.366 119.950 0.085 0.000 2.293 735 F HA -0.140 4.381 4.527 -0.009 0.000 0.300 735 F C 2.221 178.049 175.800 0.047 0.000 1.086 735 F CA 1.197 59.195 58.000 -0.003 0.000 1.375 735 F CB -0.001 38.979 39.000 -0.034 0.000 1.045 735 F HN -0.172 nan 8.300 nan 0.000 0.516 736 K N -0.187 120.208 120.400 -0.007 0.000 2.063 736 K HA -0.238 4.076 4.320 -0.009 0.000 0.208 736 K C 2.227 178.698 176.600 -0.215 0.000 1.048 736 K CA 1.729 57.934 56.287 -0.137 0.000 0.928 736 K CB -0.931 31.557 32.500 -0.020 0.000 0.713 736 K HN 0.530 nan 8.250 nan 0.000 0.442 737 H N -1.227 117.653 119.070 -0.316 0.000 2.394 737 H HA -0.194 4.357 4.556 -0.009 0.000 0.297 737 H C 1.243 176.173 175.328 -0.663 0.000 1.113 737 H CA 1.750 57.514 56.048 -0.474 0.000 1.277 737 H CB -0.015 29.403 29.762 -0.573 0.000 1.370 737 H HN 0.208 nan 8.280 nan 0.000 0.506 738 F N 0.661 120.271 119.950 -0.566 0.000 2.502 738 F HA 0.034 4.556 4.527 -0.009 0.000 0.298 738 F C 1.201 176.628 175.800 -0.623 0.000 1.111 738 F CA 0.296 57.889 58.000 -0.678 0.000 1.445 738 F CB 0.128 38.685 39.000 -0.737 0.000 1.081 738 F HN 0.042 nan 8.300 nan 0.000 0.558 739 L N 1.644 122.584 121.223 -0.471 0.000 2.480 739 L HA 0.087 4.421 4.340 -0.009 0.000 0.243 739 L C 1.607 178.291 176.870 -0.309 0.000 1.315 739 L CA -0.446 54.152 54.840 -0.404 0.000 1.231 739 L CB -0.215 41.617 42.059 -0.379 0.000 1.444 739 L HN 0.064 nan 8.230 nan 0.000 0.409 740 V N -1.993 117.708 119.914 -0.355 0.000 2.636 740 V HA -0.255 3.859 4.120 -0.009 0.000 0.258 740 V C 1.719 177.731 176.094 -0.137 0.000 1.092 740 V CA 1.600 63.744 62.300 -0.260 0.000 1.110 740 V CB -0.505 31.135 31.823 -0.305 0.000 0.685 740 V HN 0.708 nan 8.190 nan 0.000 0.481 741 E N 0.407 120.534 120.200 -0.120 0.000 2.502 741 E HA 0.036 4.381 4.350 -0.009 0.000 0.194 741 E C 0.109 176.728 176.600 0.031 0.000 1.062 741 E CA 0.241 56.650 56.400 0.015 0.000 0.867 741 E CB 0.063 29.791 29.700 0.047 0.000 0.888 741 E HN 0.752 nan 8.360 nan 0.000 0.510 742 D N 1.029 121.408 120.400 -0.034 0.000 2.478 742 D HA 0.166 4.801 4.640 -0.009 0.000 0.263 742 D C -0.028 176.265 176.300 -0.013 0.000 1.153 742 D CA -0.372 53.613 54.000 -0.024 0.000 1.038 742 D CB 0.838 41.602 40.800 -0.061 0.000 1.120 742 D HN -0.145 nan 8.370 nan 0.000 0.564 743 K N 0.042 120.438 120.400 -0.007 0.000 2.205 743 K HA 0.421 4.736 4.320 -0.009 0.000 0.279 743 K C 0.410 176.998 176.600 -0.020 0.000 1.027 743 K CA -0.622 55.663 56.287 -0.003 0.000 0.932 743 K CB 1.059 33.561 32.500 0.004 0.000 1.032 743 K HN 0.388 nan 8.250 nan 0.000 0.466 744 S N 2.153 117.837 115.700 -0.026 0.000 2.623 744 S HA 0.282 4.747 4.470 -0.009 0.000 0.278 744 S C 0.746 175.325 174.600 -0.034 0.000 1.148 744 S CA -0.864 57.311 58.200 -0.042 0.000 1.028 744 S CB 0.230 63.390 63.200 -0.067 0.000 1.145 744 S HN 0.593 nan 8.310 nan 0.000 0.523 745 L N 0.379 121.576 121.223 -0.044 0.000 2.728 745 L HA 0.296 4.631 4.340 -0.009 0.000 0.238 745 L C 0.813 177.660 176.870 -0.039 0.000 1.143 745 L CA -0.021 54.800 54.840 -0.032 0.000 0.937 745 L CB 0.252 42.297 42.059 -0.024 0.000 1.225 745 L HN 0.616 nan 8.230 nan 0.000 0.507 746 S N -0.264 115.405 115.700 -0.053 0.000 2.602 746 S HA 0.285 4.749 4.470 -0.009 0.000 0.240 746 S C 1.324 175.904 174.600 -0.034 0.000 0.992 746 S CA 0.418 58.587 58.200 -0.052 0.000 0.971 746 S CB 0.910 64.058 63.200 -0.086 0.000 0.855 746 S HN 0.542 nan 8.310 nan 0.000 0.481 747 G N 1.350 110.136 108.800 -0.023 0.000 2.148 747 G HA2 -0.277 3.677 3.960 -0.009 0.000 0.254 747 G HA3 -0.277 3.677 3.960 -0.009 0.000 0.254 747 G C 0.968 175.870 174.900 0.003 0.000 0.981 747 G CA 0.262 45.356 45.100 -0.009 0.000 0.670 747 G HN 0.635 nan 8.290 nan 0.000 0.528 748 G N -0.051 108.745 108.800 -0.008 0.000 2.442 748 G HA2 0.394 4.349 3.960 -0.009 0.000 0.219 748 G HA3 0.394 4.349 3.960 -0.009 0.000 0.219 748 G C 1.095 176.015 174.900 0.034 0.000 1.141 748 G CA 2.307 47.408 45.100 0.002 0.000 0.763 748 G HN 2.569 nan 8.290 nan 0.000 0.554 749 A N -2.250 120.592 122.820 0.037 0.000 2.446 749 A HA 0.326 4.641 4.320 -0.009 0.000 0.686 749 A C 0.300 177.924 177.584 0.067 0.000 0.150 749 A CA 0.306 52.387 52.037 0.072 0.000 0.033 749 A CB -1.376 17.717 19.000 0.155 0.000 3.972 749 A HN 1.906 nan 8.150 nan 0.000 0.548 750 S N -0.550 115.205 115.700 0.091 0.000 2.681 750 S HA 0.679 5.143 4.470 -0.009 0.000 0.299 750 S C 0.637 175.343 174.600 0.177 0.000 1.113 750 S CA 0.278 58.535 58.200 0.096 0.000 1.013 750 S CB 1.231 64.469 63.200 0.064 0.000 1.076 750 S HN 1.989 nan 8.310 nan 0.000 0.534 751 Y N 1.868 122.209 120.300 0.068 0.000 2.145 751 Y HA -0.089 4.456 4.550 -0.009 0.000 0.286 751 Y C 2.048 178.041 175.900 0.155 0.000 1.145 751 Y CA 1.851 60.022 58.100 0.118 0.000 1.148 751 Y CB -1.036 37.471 38.460 0.078 0.000 0.981 751 Y HN 0.469 nan 8.280 nan 0.000 0.507 752 V N 0.956 120.797 119.914 -0.121 0.000 2.252 752 V HA -0.361 3.753 4.120 -0.009 0.000 0.249 752 V C 2.056 178.059 176.094 -0.151 0.000 1.056 752 V CA 2.467 64.631 62.300 -0.227 0.000 1.022 752 V CB -0.759 31.018 31.823 -0.077 0.000 0.641 752 V HN 0.371 nan 8.190 nan 0.000 0.445 753 D N -1.102 119.280 120.400 -0.031 0.000 2.264 753 D HA -0.132 4.502 4.640 -0.009 0.000 0.208 753 D C 1.727 178.061 176.300 0.057 0.000 0.966 753 D CA 0.920 54.923 54.000 0.004 0.000 0.864 753 D CB -0.229 40.589 40.800 0.030 0.000 0.933 753 D HN 0.517 nan 8.370 nan 0.000 0.499 754 F N 0.704 120.628 119.950 -0.042 0.000 2.293 754 F HA 0.063 4.584 4.527 -0.009 0.000 0.297 754 F C 1.952 177.724 175.800 -0.046 0.000 1.089 754 F CA 0.562 58.577 58.000 0.026 0.000 1.377 754 F CB -0.081 38.964 39.000 0.075 0.000 1.051 754 F HN -0.130 nan 8.300 nan 0.000 0.511 755 L N -0.763 120.336 121.223 -0.206 0.000 2.046 755 L HA -0.280 4.055 4.340 -0.009 0.000 0.208 755 L C 2.787 179.534 176.870 -0.206 0.000 1.077 755 L CA 1.576 56.243 54.840 -0.288 0.000 0.747 755 L CB -0.704 41.106 42.059 -0.415 0.000 0.896 755 L HN 0.439 nan 8.230 nan 0.000 0.432 756 C N -0.626 118.583 119.300 -0.151 0.000 2.413 756 C HA -0.283 4.171 4.460 -0.009 0.000 0.278 756 C C 2.799 177.783 174.990 -0.010 0.000 1.224 756 C CA 1.525 60.501 59.018 -0.070 0.000 1.732 756 C CB -1.026 26.678 27.740 -0.060 0.000 2.050 756 C HN 0.635 nan 8.230 nan 0.000 0.463 757 H N -0.606 118.353 119.070 -0.185 0.000 2.289 757 H HA -0.268 4.282 4.556 -0.009 0.000 0.294 757 H C 2.272 177.439 175.328 -0.268 0.000 1.095 757 H CA 2.264 58.186 56.048 -0.209 0.000 1.256 757 H CB -0.305 29.311 29.762 -0.242 0.000 1.359 757 H HN 0.485 nan 8.280 nan 0.000 0.487 758 M N 0.254 119.550 119.600 -0.507 0.000 2.117 758 M HA -0.197 4.277 4.480 -0.009 0.000 0.262 758 M C 2.364 178.532 176.300 -0.220 0.000 1.065 758 M CA 1.902 56.895 55.300 -0.512 0.000 1.114 758 M CB -0.939 31.312 32.600 -0.581 0.000 1.361 758 M HN 0.391 nan 8.290 nan 0.000 0.408 759 H N 0.194 119.139 119.070 -0.208 0.000 2.352 759 H HA -0.171 4.380 4.556 -0.009 0.000 0.299 759 H C 1.732 177.003 175.328 -0.094 0.000 1.097 759 H CA 2.207 58.179 56.048 -0.127 0.000 1.311 759 H CB 0.029 29.727 29.762 -0.107 0.000 1.377 759 H HN 0.445 nan 8.280 nan 0.000 0.504 760 K N 0.159 120.523 120.400 -0.059 0.000 2.025 760 K HA -0.148 4.167 4.320 -0.009 0.000 0.207 760 K C 2.316 178.850 176.600 -0.109 0.000 1.049 760 K CA 1.293 57.534 56.287 -0.078 0.000 0.933 760 K CB -0.024 32.495 32.500 0.031 0.000 0.714 760 K HN 0.203 nan 8.250 nan 0.000 0.438 761 E N 1.371 121.510 120.200 -0.102 0.000 2.049 761 E HA -0.183 4.161 4.350 -0.009 0.000 0.198 761 E C 1.796 178.323 176.600 -0.122 0.000 1.007 761 E CA 1.381 57.714 56.400 -0.112 0.000 0.809 761 E CB -0.126 29.452 29.700 -0.204 0.000 0.749 761 E HN 0.213 nan 8.360 nan 0.000 0.450 762 I N 0.021 120.498 120.570 -0.155 0.000 2.286 762 I HA -0.278 3.887 4.170 -0.009 0.000 0.248 762 I C 2.690 178.719 176.117 -0.147 0.000 1.115 762 I CA 1.148 62.366 61.300 -0.136 0.000 1.392 762 I CB -0.284 37.632 38.000 -0.140 0.000 1.065 762 I HN 0.128 nan 8.210 nan 0.000 0.418 763 R N 0.986 121.360 120.500 -0.209 0.000 2.080 763 R HA -0.233 4.101 4.340 -0.009 0.000 0.236 763 R C 2.330 178.561 176.300 -0.115 0.000 1.137 763 R CA 1.823 57.805 56.100 -0.197 0.000 0.943 763 R CB -0.202 29.940 30.300 -0.263 0.000 0.846 763 R HN 0.386 nan 8.270 nan 0.000 0.431 764 Q N 0.207 119.951 119.800 -0.093 0.000 2.112 764 Q HA -0.210 4.124 4.340 -0.009 0.000 0.206 764 Q C 2.246 178.216 176.000 -0.051 0.000 0.987 764 Q CA 2.010 57.778 55.803 -0.058 0.000 0.858 764 Q CB -0.191 28.522 28.738 -0.042 0.000 0.905 764 Q HN 0.422 nan 8.270 nan 0.000 0.420 765 L N 0.034 121.222 121.223 -0.057 0.000 2.027 765 L HA -0.083 4.252 4.340 -0.009 0.000 0.206 765 L C 0.958 177.801 176.870 -0.046 0.000 1.074 765 L CA 0.544 55.357 54.840 -0.045 0.000 0.745 765 L CB -0.233 41.800 42.059 -0.043 0.000 0.898 765 L HN 0.196 nan 8.230 nan 0.000 0.433 766 L N 1.439 122.626 121.223 -0.060 0.000 2.356 766 L HA 0.211 4.545 4.340 -0.009 0.000 0.282 766 L C -0.103 176.734 176.870 -0.056 0.000 1.132 766 L CA -0.155 54.650 54.840 -0.057 0.000 0.923 766 L CB -0.124 41.894 42.059 -0.070 0.000 1.278 766 L HN 0.320 nan 8.230 nan 0.000 0.436 767 S N 0.000 115.674 115.700 -0.043 0.000 2.498 767 S HA 0.000 4.464 4.470 -0.009 0.000 0.327 767 S CA 0.000 58.177 58.200 -0.038 0.000 1.107 767 S CB 0.000 63.176 63.200 -0.040 0.000 0.593 767 S HN 0.000 nan 8.310 nan 0.000 0.517