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 2ok5_1_A DATA FIRST_RESID 9 DATA SEQUENCE QGScSLEGVE IKGGSFRLLQ EGQALEYVcP SGFYPYPVQT RTcRSTGSWS DATA SEQUENCE TLKTQDQKTV RKAEcRAIHc PRPHDFENGE YWPRSPYYNV SDEISFHcYD DATA SEQUENCE GYTLRGSANR TcQVNGRWSG QTAIcDNGAG YcSNPGIPIG TRKVGSQYRL DATA SEQUENCE EDSVTYHcSR GLTLRGSQRR TcQEGGSWSG TEPScQDSFM YDTPQEVAEA DATA SEQUENCE FLSSLTETIX XXXXXXXXXX XXXXKRKIVL DPSGSMNIYL VLDGSDSIGA DATA SEQUENCE SNFTGAKKCL VNLIEKVASY GVKPRYGLVT YATYPKIWVK VSEADSSNAD DATA SEQUENCE WVTKQLNEIN YEXXXXXXGT NTKKALQAVY SMMSWXXXVP PEGWNRTRHV DATA SEQUENCE IILMTDGLHN MGGDPITVID EIRDLLYIGK DRKNPREDYL DVYVFGVGPL DATA SEQUENCE VNQVNINALA SKKDNEQHVF KVKDMENLED VFYQMIDESQ SLSLcGMVWE DATA SEQUENCE HRKGTDYHKQ PWQAKISVIR PSKGHEScMG AVVSEYFVLT AAHcFTVDDK DATA SEQUENCE EHSIKVSVGG EKRDLEIEVV LFHPNYNING KKEAGIPEFY DYDVALIKLK DATA SEQUENCE NKLKYGQTIR PIcLPcTEGT TRALRLPPTT TcQQQKEELL PAQDIKALFV DATA SEQUENCE SEEEKKLTRK EVYIKNGDKK GScERDAQYA PGYDKVKDIS EVVTPRFLcT DATA SEQUENCE GGVSPYADPN TcRGDSGGPL IVHKRSRFIQ VGVISWGVVD VcKNQKRQKQ DATA SEQUENCE VPAHARDFHI NLFQVLPWLK EKLQDEDLGF LAAA 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 9 Q HA 0.000 nan 4.340 nan 0.000 0.214 9 Q C 0.000 175.964 176.000 -0.060 0.000 1.003 9 Q CA 0.000 55.775 55.803 -0.046 0.000 1.022 9 Q CB 0.000 28.708 28.738 -0.050 0.000 1.108 10 G N 0.316 109.073 108.800 -0.072 0.000 2.554 10 G HA2 0.409 4.374 3.960 0.008 0.000 0.238 10 G HA3 0.409 4.374 3.960 0.008 0.000 0.238 10 G C -0.382 174.447 174.900 -0.119 0.000 1.259 10 G CA 0.202 45.252 45.100 -0.083 0.000 0.843 10 G HN 0.186 nan 8.290 nan 0.000 0.582 11 S N -1.264 114.371 115.700 -0.109 0.000 2.681 11 S HA 0.526 5.001 4.470 0.008 0.000 0.299 11 S C -0.407 174.084 174.600 -0.181 0.000 1.113 11 S CA -0.449 57.670 58.200 -0.134 0.000 1.013 11 S CB 1.392 64.559 63.200 -0.054 0.000 1.076 11 S HN 0.719 nan 8.310 nan 0.000 0.534 12 c N 1.956 120.401 118.600 -0.259 0.000 2.379 12 c HA 0.633 5.208 4.570 0.008 0.000 0.323 12 c C 0.817 174.922 174.090 0.024 0.000 1.262 12 c CA -0.923 55.216 56.329 -0.318 0.000 1.581 12 c CB 0.907 42.794 42.510 -1.039 0.000 2.221 12 c HN 0.895 nan 8.230 nan 0.000 0.497 13 S N 1.966 117.707 115.700 0.068 0.000 2.558 13 S HA 0.131 4.605 4.470 0.008 0.000 0.288 13 S C 0.628 175.413 174.600 0.309 0.000 1.318 13 S CA -0.066 58.227 58.200 0.154 0.000 1.056 13 S CB 0.182 63.437 63.200 0.092 0.000 0.853 13 S HN 0.620 nan 8.310 nan 0.000 0.505 14 L N 3.065 124.426 121.223 0.229 0.000 2.611 14 L HA 0.261 4.606 4.340 0.008 0.000 0.229 14 L C 0.840 177.757 176.870 0.078 0.000 1.137 14 L CA 0.056 54.983 54.840 0.143 0.000 0.901 14 L CB -0.282 41.866 42.059 0.149 0.000 1.098 14 L HN 0.670 nan 8.230 nan 0.000 0.456 15 E N 0.716 120.977 120.200 0.101 0.000 2.415 15 E HA 0.197 4.551 4.350 0.008 0.000 0.260 15 E C 1.147 177.780 176.600 0.055 0.000 1.016 15 E CA 0.737 57.181 56.400 0.072 0.000 0.924 15 E CB 0.452 30.191 29.700 0.066 0.000 0.961 15 E HN 0.319 nan 8.360 nan 0.000 0.459 16 G N 2.068 110.890 108.800 0.037 0.000 2.176 16 G HA2 -0.348 3.616 3.960 0.008 0.000 0.253 16 G HA3 -0.348 3.616 3.960 0.008 0.000 0.253 16 G C 0.911 175.807 174.900 -0.006 0.000 0.979 16 G CA 0.379 45.493 45.100 0.023 0.000 0.641 16 G HN 0.673 nan 8.290 nan 0.000 0.530 17 V N -0.268 119.605 119.914 -0.069 0.000 3.623 17 V HA 0.345 4.470 4.120 0.008 0.000 0.271 17 V C 1.262 177.339 176.094 -0.029 0.000 1.248 17 V CA 0.864 63.063 62.300 -0.168 0.000 1.156 17 V CB -0.109 31.351 31.823 -0.606 0.000 0.870 17 V HN 0.669 nan 8.190 nan 0.000 0.453 18 E N 1.583 121.824 120.200 0.069 0.000 2.467 18 E HA 0.027 4.381 4.350 0.008 0.000 0.264 18 E C -0.416 176.199 176.600 0.025 0.000 1.020 18 E CA -0.136 56.365 56.400 0.169 0.000 0.945 18 E CB 1.651 31.428 29.700 0.129 0.000 0.942 18 E HN 0.586 nan 8.360 nan 0.000 0.449 19 I N 1.053 121.607 120.570 -0.026 0.000 2.377 19 I HA 0.160 4.334 4.170 0.008 0.000 0.293 19 I C 0.223 176.255 176.117 -0.141 0.000 0.987 19 I CA -0.948 60.189 61.300 -0.271 0.000 1.185 19 I CB 1.044 38.659 38.000 -0.641 0.000 1.341 19 I HN 0.497 nan 8.210 nan 0.000 0.455 20 K N 6.329 126.643 120.400 -0.143 0.000 2.419 20 K HA 0.232 4.556 4.320 0.008 0.000 0.282 20 K C 0.765 177.294 176.600 -0.118 0.000 1.056 20 K CA 1.064 57.288 56.287 -0.105 0.000 1.035 20 K CB 0.100 32.544 32.500 -0.094 0.000 0.921 20 K HN 1.001 nan 8.250 nan 0.000 0.472 21 G N 2.415 111.166 108.800 -0.081 0.000 2.141 21 G HA2 -0.199 3.765 3.960 0.008 0.000 0.242 21 G HA3 -0.199 3.765 3.960 0.008 0.000 0.242 21 G C 0.161 175.046 174.900 -0.024 0.000 0.982 21 G CA -0.129 44.926 45.100 -0.076 0.000 0.662 21 G HN 1.028 nan 8.290 nan 0.000 0.527 22 G N -1.438 107.383 108.800 0.036 0.000 2.782 22 G HA2 0.984 4.949 3.960 0.008 0.000 0.304 22 G HA3 0.984 4.949 3.960 0.008 0.000 0.304 22 G C -0.225 174.767 174.900 0.153 0.000 1.315 22 G CA 0.682 45.810 45.100 0.046 0.000 0.791 22 G HN 1.629 nan 8.290 nan 0.000 0.519 23 S N -1.594 114.183 115.700 0.129 0.000 2.911 23 S HA 0.910 5.384 4.470 0.008 0.000 0.319 23 S C -0.984 173.760 174.600 0.240 0.000 1.154 23 S CA -0.680 57.573 58.200 0.088 0.000 0.857 23 S CB 1.580 64.769 63.200 -0.019 0.000 1.279 23 S HN 1.746 nan 8.310 nan 0.000 0.593 24 F N -1.294 118.711 119.950 0.092 0.000 2.662 24 F HA 0.878 5.409 4.527 0.008 0.000 0.312 24 F C -0.955 174.828 175.800 -0.029 0.000 1.113 24 F CA -1.284 56.731 58.000 0.026 0.000 0.951 24 F CB 1.367 40.314 39.000 -0.088 0.000 1.344 24 F HN 0.925 nan 8.300 nan 0.000 0.462 25 R N 1.593 122.213 120.500 0.200 0.000 2.725 25 R HA 0.776 5.120 4.340 0.008 0.000 0.277 25 R C -2.040 174.350 176.300 0.149 0.000 0.987 25 R CA -1.032 55.135 56.100 0.112 0.000 0.901 25 R CB 2.158 32.482 30.300 0.040 0.000 1.207 25 R HN 0.822 nan 8.270 nan 0.000 0.463 26 L N 3.030 124.334 121.223 0.135 0.000 2.334 26 L HA 0.497 4.841 4.340 0.008 0.000 0.277 26 L C -0.336 176.585 176.870 0.085 0.000 1.075 26 L CA -0.798 54.119 54.840 0.127 0.000 0.804 26 L CB 0.966 43.120 42.059 0.159 0.000 1.174 26 L HN 0.431 nan 8.230 nan 0.000 0.438 27 L N 2.311 123.587 121.223 0.088 0.000 2.301 27 L HA 0.406 4.751 4.340 0.008 0.000 0.264 27 L C -0.019 176.889 176.870 0.063 0.000 1.016 27 L CA -0.779 54.098 54.840 0.063 0.000 0.821 27 L CB 1.579 43.673 42.059 0.058 0.000 1.346 27 L HN 0.601 nan 8.230 nan 0.000 0.429 28 Q N 0.930 120.751 119.800 0.035 0.000 2.453 28 Q HA -0.216 4.129 4.340 0.008 0.000 0.294 28 Q C -0.593 175.420 176.000 0.023 0.000 1.295 28 Q CA 0.831 56.647 55.803 0.022 0.000 0.853 28 Q CB -1.225 27.526 28.738 0.021 0.000 1.193 28 Q HN 0.694 nan 8.270 nan 0.000 0.461 29 E N -2.516 117.700 120.200 0.026 0.000 2.389 29 E HA -0.316 4.038 4.350 0.008 0.000 0.243 29 E C 0.815 177.440 176.600 0.042 0.000 1.154 29 E CA 0.821 57.237 56.400 0.027 0.000 0.723 29 E CB -1.644 28.062 29.700 0.010 0.000 1.261 29 E HN 0.987 nan 8.360 nan 0.000 0.390 30 G N -0.265 108.584 108.800 0.082 0.000 2.176 30 G HA2 -0.351 3.614 3.960 0.008 0.000 0.253 30 G HA3 -0.351 3.614 3.960 0.008 0.000 0.253 30 G C 0.753 175.721 174.900 0.112 0.000 0.979 30 G CA 0.459 45.640 45.100 0.135 0.000 0.641 30 G HN 0.270 nan 8.290 nan 0.000 0.530 31 Q N -0.192 119.637 119.800 0.048 0.000 2.389 31 Q HA 0.523 4.868 4.340 0.008 0.000 0.204 31 Q C 1.277 177.313 176.000 0.060 0.000 0.944 31 Q CA 1.372 57.157 55.803 -0.031 0.000 0.908 31 Q CB 0.410 29.124 28.738 -0.041 0.000 1.002 31 Q HN 1.273 nan 8.270 nan 0.000 0.493 32 A N 0.569 123.503 122.820 0.190 0.000 2.527 32 A HA 0.706 5.031 4.320 0.008 0.000 0.293 32 A C -1.256 176.474 177.584 0.242 0.000 1.117 32 A CA -0.766 51.430 52.037 0.266 0.000 0.723 32 A CB 1.279 20.350 19.000 0.119 0.000 1.313 32 A HN 0.140 nan 8.150 nan 0.000 0.411 33 L N -1.702 119.555 121.223 0.057 0.000 2.350 33 L HA 0.910 5.254 4.340 0.008 0.000 0.260 33 L C -0.553 176.202 176.870 -0.192 0.000 1.015 33 L CA -0.511 54.220 54.840 -0.182 0.000 0.821 33 L CB 1.890 43.562 42.059 -0.646 0.000 1.370 33 L HN 0.782 nan 8.230 nan 0.000 0.416 34 E N 0.828 120.954 120.200 -0.123 0.000 2.210 34 E HA 0.420 4.775 4.350 0.008 0.000 0.266 34 E C -1.548 175.029 176.600 -0.038 0.000 0.883 34 E CA -0.773 55.587 56.400 -0.066 0.000 0.761 34 E CB 1.241 30.980 29.700 0.065 0.000 1.156 34 E HN 0.634 nan 8.360 nan 0.000 0.412 35 Y N 1.535 121.885 120.300 0.083 0.000 2.336 35 Y HA 0.282 4.837 4.550 0.007 0.000 0.331 35 Y C 0.112 176.070 175.900 0.097 0.000 1.211 35 Y CA -0.349 57.809 58.100 0.097 0.000 1.346 35 Y CB 1.263 39.754 38.460 0.051 0.000 1.271 35 Y HN 0.195 nan 8.280 nan 0.000 0.538 36 V N 2.780 122.854 119.914 0.266 0.000 2.525 36 V HA 0.417 4.542 4.120 0.008 0.000 0.299 36 V C -0.637 175.476 176.094 0.031 0.000 1.034 36 V CA -0.999 61.381 62.300 0.133 0.000 0.863 36 V CB 1.321 33.196 31.823 0.086 0.000 0.999 36 V HN 0.861 nan 8.190 nan 0.000 0.423 37 c N 5.349 123.947 118.600 -0.004 0.000 2.562 37 c HA 0.723 5.297 4.570 0.008 0.000 0.332 37 c C -2.127 171.863 174.090 -0.167 0.000 1.201 37 c CA -1.189 55.066 56.329 -0.125 0.000 1.803 37 c CB 1.756 44.243 42.510 -0.038 0.000 2.328 37 c HN 0.691 nan 8.230 nan 0.000 0.500 38 P HA 0.105 nan 4.420 nan 0.000 0.271 38 P C -0.319 177.020 177.300 0.064 0.000 1.244 38 P CA -0.030 62.959 63.100 -0.185 0.000 0.793 38 P CB 0.296 31.811 31.700 -0.307 0.000 0.984 39 S N -0.019 115.744 115.700 0.105 0.000 2.575 39 S HA 0.311 4.785 4.470 0.008 0.000 0.295 39 S C 1.360 176.076 174.600 0.193 0.000 1.267 39 S CA 1.123 59.398 58.200 0.125 0.000 1.074 39 S CB -1.467 61.783 63.200 0.083 0.000 0.829 39 S HN 0.871 nan 8.310 nan 0.000 0.497 40 G N 3.551 112.411 108.800 0.101 0.000 2.175 40 G HA2 -0.213 3.751 3.960 0.008 0.000 0.244 40 G HA3 -0.213 3.751 3.960 0.008 0.000 0.244 40 G C -0.081 174.624 174.900 -0.326 0.000 0.982 40 G CA 0.058 45.117 45.100 -0.068 0.000 0.641 40 G HN 0.627 nan 8.290 nan 0.000 0.527 41 F N -0.373 119.523 119.950 -0.090 0.000 2.588 41 F HA 0.754 5.285 4.527 0.007 0.000 0.314 41 F C 0.063 175.785 175.800 -0.130 0.000 1.069 41 F CA -1.302 56.616 58.000 -0.137 0.000 0.931 41 F CB 1.804 40.704 39.000 -0.166 0.000 1.260 41 F HN 0.269 nan 8.300 nan 0.000 0.465 42 Y N -0.119 120.078 120.300 -0.172 0.000 2.581 42 Y HA 0.792 5.346 4.550 0.007 0.000 0.345 42 Y C -3.386 172.468 175.900 -0.076 0.000 1.036 42 Y CA -3.812 54.143 58.100 -0.242 0.000 1.042 42 Y CB 1.245 39.224 38.460 -0.801 0.000 1.289 42 Y HN 0.192 nan 8.280 nan 0.000 0.471 43 P HA 0.157 nan 4.420 nan 0.000 0.282 43 P C -1.627 175.592 177.300 -0.135 0.000 1.274 43 P CA 0.386 63.416 63.100 -0.117 0.000 0.770 43 P CB 0.198 31.979 31.700 0.136 0.000 0.867 44 Y N 7.075 127.140 120.300 -0.393 0.000 2.377 44 Y HA 0.440 4.994 4.550 0.008 0.000 0.339 44 Y C -1.749 174.072 175.900 -0.131 0.000 1.011 44 Y CA -2.679 55.281 58.100 -0.234 0.000 1.093 44 Y CB 2.045 40.297 38.460 -0.347 0.000 1.201 44 Y HN 0.302 nan 8.280 nan 0.000 0.455 45 P HA 0.015 nan 4.420 nan 0.000 0.245 45 P C -0.654 176.522 177.300 -0.206 0.000 1.203 45 P CA 0.728 63.337 63.100 -0.819 0.000 0.792 45 P CB 0.552 31.767 31.700 -0.809 0.000 0.997 46 V N -3.703 116.186 119.914 -0.043 0.000 2.962 46 V HA 0.479 4.603 4.120 0.008 0.000 0.313 46 V C 1.246 177.456 176.094 0.194 0.000 1.099 46 V CA -0.756 61.592 62.300 0.080 0.000 0.971 46 V CB 1.905 33.764 31.823 0.060 0.000 1.028 46 V HN -0.305 nan 8.190 nan 0.000 0.430 47 Q N 2.170 122.080 119.800 0.183 0.000 2.096 47 Q HA 0.145 4.489 4.340 0.008 0.000 0.197 47 Q C 0.981 177.066 176.000 0.140 0.000 0.964 47 Q CA 1.944 57.874 55.803 0.211 0.000 0.838 47 Q CB 0.033 28.878 28.738 0.179 0.000 0.906 47 Q HN 1.144 nan 8.270 nan 0.000 0.444 48 T N -2.187 112.406 114.554 0.065 0.000 2.901 48 T HA 0.788 5.142 4.350 0.008 0.000 0.293 48 T C -0.679 173.989 174.700 -0.053 0.000 1.084 48 T CA -1.087 60.994 62.100 -0.032 0.000 1.008 48 T CB 2.129 71.010 68.868 0.022 0.000 1.170 48 T HN 0.105 nan 8.240 nan 0.000 0.509 49 R N 0.152 120.593 120.500 -0.097 0.000 2.771 49 R HA 0.736 5.081 4.340 0.008 0.000 0.274 49 R C -0.721 175.713 176.300 0.224 0.000 0.987 49 R CA -0.966 55.154 56.100 0.034 0.000 0.908 49 R CB 2.299 32.558 30.300 -0.068 0.000 1.213 49 R HN 0.964 nan 8.270 nan 0.000 0.468 50 T N -2.287 112.419 114.554 0.253 0.000 2.885 50 T HA 0.302 4.657 4.350 0.008 0.000 0.285 50 T C 0.076 174.795 174.700 0.032 0.000 1.019 50 T CA -0.765 61.442 62.100 0.177 0.000 1.010 50 T CB 1.502 70.394 68.868 0.040 0.000 1.022 50 T HN 0.671 nan 8.240 nan 0.000 0.466 51 c N 4.538 122.922 118.600 -0.361 0.000 2.499 51 c HA 0.569 5.144 4.570 0.008 0.000 0.386 51 c C 0.535 174.392 174.090 -0.388 0.000 1.293 51 c CA -0.610 55.236 56.329 -0.805 0.000 1.884 51 c CB -0.945 40.949 42.510 -1.028 0.000 2.509 51 c HN 0.847 nan 8.230 nan 0.000 0.566 52 R N 3.730 124.034 120.500 -0.328 0.000 2.553 52 R HA 0.281 4.625 4.340 0.008 0.000 0.263 52 R C 1.441 177.632 176.300 -0.182 0.000 1.066 52 R CA 0.064 56.052 56.100 -0.188 0.000 1.135 52 R CB 0.702 30.930 30.300 -0.121 0.000 1.148 52 R HN 0.926 nan 8.270 nan 0.000 0.558 53 S N -1.333 114.293 115.700 -0.123 0.000 2.555 53 S HA -0.118 4.357 4.470 0.008 0.000 0.230 53 S C 1.361 175.904 174.600 -0.094 0.000 0.978 53 S CA 1.173 59.311 58.200 -0.104 0.000 0.934 53 S CB -0.438 62.717 63.200 -0.075 0.000 0.766 53 S HN 0.731 nan 8.310 nan 0.000 0.533 54 T N -3.109 111.387 114.554 -0.096 0.000 3.081 54 T HA 0.470 4.824 4.350 0.008 0.000 0.255 54 T C 1.715 176.363 174.700 -0.088 0.000 1.113 54 T CA 0.709 62.764 62.100 -0.076 0.000 1.082 54 T CB -0.318 68.515 68.868 -0.058 0.000 0.939 54 T HN 1.078 nan 8.240 nan 0.000 0.506 55 G N 0.562 109.281 108.800 -0.135 0.000 2.213 55 G HA2 -0.227 3.737 3.960 0.008 0.000 0.236 55 G HA3 -0.227 3.737 3.960 0.008 0.000 0.236 55 G C 0.244 175.038 174.900 -0.176 0.000 0.991 55 G CA 0.053 45.063 45.100 -0.149 0.000 0.629 55 G HN 0.711 nan 8.290 nan 0.000 0.517 56 S N -0.125 115.487 115.700 -0.147 0.000 2.617 56 S HA 0.635 5.110 4.470 0.008 0.000 0.283 56 S C -0.139 174.360 174.600 -0.169 0.000 1.189 56 S CA -0.565 57.582 58.200 -0.089 0.000 1.036 56 S CB 0.845 64.040 63.200 -0.009 0.000 1.014 56 S HN 0.341 nan 8.310 nan 0.000 0.522 57 W N 2.141 123.408 121.300 -0.054 0.000 2.184 57 W HA 0.309 4.973 4.660 0.008 0.000 0.338 57 W C 0.966 177.455 176.519 -0.050 0.000 1.257 57 W CA -0.438 56.866 57.345 -0.068 0.000 1.243 57 W CB 0.251 29.650 29.460 -0.100 0.000 1.122 57 W HN 0.694 nan 8.180 nan 0.000 0.585 58 S N 0.455 116.276 115.700 0.201 0.000 2.558 58 S HA -0.003 4.472 4.470 0.008 0.000 0.287 58 S C 0.254 174.915 174.600 0.102 0.000 1.321 58 S CA -0.655 57.608 58.200 0.105 0.000 1.048 58 S CB 0.744 63.995 63.200 0.084 0.000 0.844 58 S HN 0.517 nan 8.310 nan 0.000 0.512 59 T N 2.168 116.758 114.554 0.061 0.000 2.932 59 T HA 0.204 4.559 4.350 0.008 0.000 0.312 59 T C 0.027 174.750 174.700 0.037 0.000 1.071 59 T CA -0.475 61.653 62.100 0.047 0.000 1.128 59 T CB -0.409 68.477 68.868 0.029 0.000 0.984 59 T HN 0.530 nan 8.240 nan 0.000 0.549 60 L N 5.725 126.963 121.223 0.026 0.000 2.283 60 L HA 0.403 4.748 4.340 0.008 0.000 0.287 60 L C 0.572 177.424 176.870 -0.029 0.000 1.073 60 L CA -0.317 54.523 54.840 -0.001 0.000 0.822 60 L CB 0.342 42.396 42.059 -0.009 0.000 1.186 60 L HN 0.438 nan 8.230 nan 0.000 0.436 61 K N 2.013 122.388 120.400 -0.042 0.000 2.316 61 K HA 0.460 4.784 4.320 0.008 0.000 0.251 61 K C 0.091 176.638 176.600 -0.087 0.000 0.934 61 K CA -0.550 55.710 56.287 -0.045 0.000 0.802 61 K CB 2.403 34.895 32.500 -0.013 0.000 1.171 61 K HN 0.591 nan 8.250 nan 0.000 0.426 62 T N -1.198 113.311 114.554 -0.076 0.000 2.732 62 T HA 0.048 4.403 4.350 0.008 0.000 0.287 62 T C 1.371 176.069 174.700 -0.004 0.000 0.993 62 T CA -0.086 61.978 62.100 -0.060 0.000 0.966 62 T CB 0.713 69.587 68.868 0.011 0.000 1.047 62 T HN 0.349 nan 8.240 nan 0.000 0.527 63 Q N 0.581 120.398 119.800 0.028 0.000 2.002 63 Q HA -0.106 4.239 4.340 0.008 0.000 0.204 63 Q C 1.797 177.819 176.000 0.037 0.000 0.988 63 Q CA 2.505 58.332 55.803 0.040 0.000 0.843 63 Q CB -1.076 27.698 28.738 0.061 0.000 0.908 63 Q HN 0.892 nan 8.270 nan 0.000 0.420 64 D N -0.513 119.913 120.400 0.044 0.000 2.384 64 D HA -0.095 4.550 4.640 0.008 0.000 0.222 64 D C -0.048 176.270 176.300 0.030 0.000 0.976 64 D CA 0.746 54.769 54.000 0.040 0.000 0.915 64 D CB 0.005 40.833 40.800 0.047 0.000 0.896 64 D HN 0.187 nan 8.370 nan 0.000 0.523 65 Q N -0.868 118.946 119.800 0.024 0.000 2.479 65 Q HA -0.167 4.178 4.340 0.008 0.000 0.282 65 Q C -1.189 174.822 176.000 0.018 0.000 1.279 65 Q CA 0.441 56.254 55.803 0.017 0.000 0.815 65 Q CB -1.360 27.388 28.738 0.017 0.000 1.204 65 Q HN 0.368 nan 8.270 nan 0.000 0.444 66 K N -0.141 120.272 120.400 0.022 0.000 2.227 66 K HA 0.474 4.798 4.320 0.008 0.000 0.280 66 K C 0.035 176.646 176.600 0.017 0.000 1.041 66 K CA -0.559 55.744 56.287 0.026 0.000 0.905 66 K CB 1.294 33.819 32.500 0.042 0.000 1.068 66 K HN -0.017 nan 8.250 nan 0.000 0.470 67 T N 2.243 116.807 114.554 0.017 0.000 2.888 67 T HA 0.079 4.433 4.350 0.008 0.000 0.301 67 T C -0.112 174.599 174.700 0.018 0.000 1.001 67 T CA -0.236 61.872 62.100 0.012 0.000 1.147 67 T CB 0.340 69.217 68.868 0.015 0.000 0.931 67 T HN 0.195 nan 8.240 nan 0.000 0.541 68 V N 6.280 126.198 119.914 0.006 0.000 2.398 68 V HA 0.300 4.424 4.120 0.008 0.000 0.286 68 V C 1.283 177.388 176.094 0.018 0.000 1.026 68 V CA -0.655 61.658 62.300 0.022 0.000 0.868 68 V CB 1.589 33.408 31.823 -0.007 0.000 0.982 68 V HN 0.835 nan 8.190 nan 0.000 0.443 69 R N 2.052 122.567 120.500 0.026 0.000 2.092 69 R HA -0.002 4.343 4.340 0.008 0.000 0.231 69 R C 0.501 176.808 176.300 0.011 0.000 1.119 69 R CA 0.846 56.957 56.100 0.018 0.000 0.970 69 R CB 0.105 30.416 30.300 0.018 0.000 0.864 69 R HN 0.482 nan 8.270 nan 0.000 0.440 70 K N 0.427 120.832 120.400 0.009 0.000 2.482 70 K HA 0.391 4.716 4.320 0.008 0.000 0.251 70 K C -1.471 175.113 176.600 -0.027 0.000 0.936 70 K CA -0.472 55.807 56.287 -0.013 0.000 0.791 70 K CB 1.974 34.464 32.500 -0.016 0.000 1.213 70 K HN 0.052 nan 8.250 nan 0.000 0.428 71 A N 3.653 126.420 122.820 -0.088 0.000 2.425 71 A HA 0.424 4.748 4.320 0.008 0.000 0.249 71 A C -0.740 176.729 177.584 -0.191 0.000 1.084 71 A CA 0.093 52.022 52.037 -0.180 0.000 0.781 71 A CB 0.115 18.871 19.000 -0.406 0.000 1.019 71 A HN 0.800 nan 8.150 nan 0.000 0.490 72 E N 0.601 120.711 120.200 -0.149 0.000 2.340 72 E HA 0.319 4.673 4.350 0.008 0.000 0.273 72 E C -1.534 174.939 176.600 -0.211 0.000 0.891 72 E CA -0.721 55.587 56.400 -0.154 0.000 0.757 72 E CB 1.906 31.548 29.700 -0.097 0.000 1.231 72 E HN 0.637 nan 8.360 nan 0.000 0.439 73 c N 2.586 121.059 118.600 -0.211 0.000 2.464 73 c HA 0.327 4.901 4.570 0.008 0.000 0.370 73 c C 0.450 174.475 174.090 -0.107 0.000 1.267 73 c CA -0.362 55.845 56.329 -0.203 0.000 1.781 73 c CB -1.088 41.312 42.510 -0.183 0.000 2.431 73 c HN 0.437 nan 8.230 nan 0.000 0.556 74 R N 2.069 122.396 120.500 -0.288 0.000 2.732 74 R HA 0.642 4.987 4.340 0.008 0.000 0.278 74 R C -0.018 176.143 176.300 -0.233 0.000 0.976 74 R CA -0.465 55.480 56.100 -0.258 0.000 0.963 74 R CB 1.398 31.379 30.300 -0.531 0.000 1.150 74 R HN 0.786 nan 8.270 nan 0.000 0.478 75 A N 3.109 125.719 122.820 -0.350 0.000 2.546 75 A HA 0.054 4.379 4.320 0.008 0.000 0.243 75 A C 0.492 177.762 177.584 -0.524 0.000 1.063 75 A CA 0.067 51.673 52.037 -0.718 0.000 0.757 75 A CB -0.234 18.456 19.000 -0.517 0.000 0.991 75 A HN 0.647 nan 8.150 nan 0.000 0.503 76 I N 2.282 122.576 120.570 -0.460 0.000 2.752 76 I HA 0.046 4.220 4.170 0.008 0.000 0.287 76 I C 0.548 176.500 176.117 -0.275 0.000 1.188 76 I CA 0.809 61.865 61.300 -0.407 0.000 1.427 76 I CB 0.254 38.048 38.000 -0.343 0.000 1.365 76 I HN 0.715 nan 8.210 nan 0.000 0.585 77 H N 3.731 122.683 119.070 -0.197 0.000 2.572 77 H HA 0.375 4.935 4.556 0.007 0.000 0.359 77 H C -0.859 174.446 175.328 -0.039 0.000 1.134 77 H CA -1.130 54.870 56.048 -0.080 0.000 1.187 77 H CB 1.558 31.279 29.762 -0.069 0.000 1.597 77 H HN 0.533 nan 8.280 nan 0.000 0.524 78 c N 4.477 123.119 118.600 0.070 0.000 2.463 78 c HA 0.239 4.814 4.570 0.008 0.000 0.380 78 c C -1.816 172.462 174.090 0.314 0.000 1.264 78 c CA -1.314 54.973 56.329 -0.069 0.000 2.161 78 c CB 0.253 42.236 42.510 -0.878 0.000 2.515 78 c HN 0.589 nan 8.230 nan 0.000 0.565 79 P HA 0.126 nan 4.420 nan 0.000 0.271 79 P C -0.583 177.080 177.300 0.606 0.000 1.218 79 P CA -0.230 63.131 63.100 0.435 0.000 0.780 79 P CB 0.527 32.408 31.700 0.301 0.000 0.901 80 R N 3.626 124.425 120.500 0.498 0.000 2.491 80 R HA 0.213 4.558 4.340 0.008 0.000 0.283 80 R C -2.050 174.373 176.300 0.205 0.000 1.072 80 R CA -1.401 54.968 56.100 0.448 0.000 1.048 80 R CB -0.488 30.043 30.300 0.385 0.000 0.983 80 R HN 0.329 nan 8.270 nan 0.000 0.450 81 P HA -0.081 nan 4.420 nan 0.000 0.262 81 P C -0.217 177.144 177.300 0.102 0.000 1.182 81 P CA 0.255 63.299 63.100 -0.093 0.000 0.761 81 P CB 0.435 31.844 31.700 -0.485 0.000 0.795 82 H N 2.124 121.239 119.070 0.074 0.000 2.389 82 H HA -0.079 4.482 4.556 0.007 0.000 0.299 82 H C -0.085 175.322 175.328 0.132 0.000 1.081 82 H CA 1.506 57.620 56.048 0.109 0.000 1.345 82 H CB 0.511 30.331 29.762 0.097 0.000 1.393 82 H HN 0.391 nan 8.280 nan 0.000 0.520 83 D N -1.651 118.870 120.400 0.203 0.000 2.648 83 D HA 0.189 4.834 4.640 0.008 0.000 0.244 83 D C -2.136 174.328 176.300 0.274 0.000 1.244 83 D CA -0.593 53.526 54.000 0.199 0.000 0.772 83 D CB 1.051 41.983 40.800 0.219 0.000 1.379 83 D HN 0.014 nan 8.370 nan 0.000 0.428 84 F N 1.768 121.774 119.950 0.094 0.000 2.671 84 F HA 0.389 4.921 4.527 0.008 0.000 0.332 84 F C -0.590 175.205 175.800 -0.008 0.000 1.189 84 F CA -0.515 57.519 58.000 0.055 0.000 0.988 84 F CB 1.334 40.441 39.000 0.179 0.000 1.258 84 F HN 0.200 nan 8.300 nan 0.000 0.471 85 E N 4.765 124.677 120.200 -0.480 0.000 2.354 85 E HA 0.186 4.540 4.350 0.008 0.000 0.269 85 E C -0.040 176.102 176.600 -0.763 0.000 1.036 85 E CA -0.080 56.054 56.400 -0.443 0.000 0.876 85 E CB 0.395 29.939 29.700 -0.260 0.000 1.009 85 E HN 0.643 nan 8.360 nan 0.000 0.416 86 N N 0.774 119.087 118.700 -0.645 0.000 2.741 86 N HA -0.175 4.569 4.740 0.008 0.000 0.251 86 N C -0.206 174.620 175.510 -1.140 0.000 1.112 86 N CA 1.302 53.802 53.050 -0.915 0.000 0.750 86 N CB -1.280 36.410 38.487 -1.328 0.000 1.119 86 N HN 0.727 nan 8.380 nan 0.000 0.561 87 G N -1.176 106.874 108.800 -1.249 0.000 2.489 87 G HA2 0.516 4.480 3.960 0.008 0.000 0.305 87 G HA3 0.516 4.480 3.960 0.008 0.000 0.305 87 G C -1.998 172.798 174.900 -0.174 0.000 1.311 87 G CA -0.370 44.203 45.100 -0.879 0.000 0.813 87 G HN 0.127 nan 8.290 nan 0.000 0.480 88 E N -1.326 119.077 120.200 0.337 0.000 2.367 88 E HA 0.694 5.048 4.350 0.008 0.000 0.273 88 E C -1.561 175.227 176.600 0.313 0.000 0.903 88 E CA -0.842 55.827 56.400 0.448 0.000 0.764 88 E CB 1.823 31.825 29.700 0.504 0.000 1.252 88 E HN 0.705 nan 8.360 nan 0.000 0.446 89 Y N 0.412 120.685 120.300 -0.045 0.000 2.562 89 Y HA 0.926 5.480 4.550 0.007 0.000 0.343 89 Y C -1.153 174.667 175.900 -0.132 0.000 1.025 89 Y CA -1.314 56.421 58.100 -0.608 0.000 1.082 89 Y CB 1.072 38.694 38.460 -1.396 0.000 1.264 89 Y HN 0.604 nan 8.280 nan 0.000 0.478 90 W N 0.593 121.683 121.300 -0.349 0.000 3.153 90 W HA 0.772 5.437 4.660 0.007 0.000 0.316 90 W C -3.407 173.039 176.519 -0.121 0.000 1.255 90 W CA -2.436 54.742 57.345 -0.277 0.000 1.192 90 W CB 0.235 29.567 29.460 -0.214 0.000 1.400 90 W HN 0.505 nan 8.180 nan 0.000 0.568 91 P HA 0.197 nan 4.420 nan 0.000 0.272 91 P C -0.731 176.665 177.300 0.161 0.000 1.223 91 P CA -0.035 63.187 63.100 0.204 0.000 0.784 91 P CB 0.804 32.610 31.700 0.177 0.000 0.923 92 R N 1.183 121.695 120.500 0.019 0.000 2.239 92 R HA 0.476 4.821 4.340 0.008 0.000 0.332 92 R C -0.234 176.051 176.300 -0.024 0.000 0.988 92 R CA -0.264 55.830 56.100 -0.009 0.000 0.859 92 R CB 0.804 30.974 30.300 -0.218 0.000 1.148 92 R HN 0.467 nan 8.270 nan 0.000 0.482 93 S N 3.078 118.723 115.700 -0.090 0.000 2.600 93 S HA 0.326 4.800 4.470 0.008 0.000 0.300 93 S C -1.838 172.527 174.600 -0.392 0.000 1.087 93 S CA -1.367 56.586 58.200 -0.413 0.000 0.965 93 S CB 2.082 64.791 63.200 -0.817 0.000 1.089 93 S HN 0.348 nan 8.310 nan 0.000 0.496 94 P HA -0.027 nan 4.420 nan 0.000 0.216 94 P C -0.390 176.838 177.300 -0.120 0.000 1.150 94 P CA 1.474 64.450 63.100 -0.206 0.000 0.843 94 P CB -0.078 31.508 31.700 -0.190 0.000 0.787 95 Y N -5.768 114.342 120.300 -0.316 0.000 2.713 95 Y HA 0.622 5.176 4.550 0.007 0.000 0.335 95 Y C -1.499 174.059 175.900 -0.570 0.000 1.222 95 Y CA -1.861 56.081 58.100 -0.263 0.000 1.061 95 Y CB 0.423 38.724 38.460 -0.265 0.000 1.314 95 Y HN -0.309 nan 8.280 nan 0.000 0.453 96 Y N 0.966 121.392 120.300 0.210 0.000 2.425 96 Y HA 0.440 4.994 4.550 0.007 0.000 0.344 96 Y C -0.349 175.603 175.900 0.087 0.000 0.969 96 Y CA -1.140 57.027 58.100 0.111 0.000 1.052 96 Y CB 1.689 40.255 38.460 0.178 0.000 1.215 96 Y HN 0.579 nan 8.280 nan 0.000 0.451 97 N N 0.694 119.513 118.700 0.197 0.000 2.467 97 N HA 0.180 4.925 4.740 0.008 0.000 0.262 97 N C -0.589 174.945 175.510 0.040 0.000 1.234 97 N CA -0.436 52.706 53.050 0.154 0.000 0.952 97 N CB 1.106 39.662 38.487 0.115 0.000 1.158 97 N HN 0.337 nan 8.380 nan 0.000 0.463 98 V N 1.712 121.612 119.914 -0.024 0.000 2.625 98 V HA -0.091 4.034 4.120 0.008 0.000 0.305 98 V C 1.125 177.192 176.094 -0.045 0.000 1.055 98 V CA 1.394 63.646 62.300 -0.080 0.000 1.209 98 V CB -0.064 31.698 31.823 -0.102 0.000 0.877 98 V HN 1.038 nan 8.190 nan 0.000 0.489 99 S N 1.768 117.431 115.700 -0.060 0.000 2.659 99 S HA -0.162 4.313 4.470 0.008 0.000 0.264 99 S C -0.029 174.584 174.600 0.023 0.000 1.310 99 S CA 0.673 58.862 58.200 -0.020 0.000 1.262 99 S CB -1.889 61.307 63.200 -0.006 0.000 1.548 99 S HN 0.761 nan 8.310 nan 0.000 0.657 100 D N 2.577 123.003 120.400 0.043 0.000 2.414 100 D HA 0.525 5.170 4.640 0.008 0.000 0.242 100 D C 0.438 176.837 176.300 0.165 0.000 1.129 100 D CA 0.487 54.571 54.000 0.140 0.000 0.885 100 D CB 0.684 41.655 40.800 0.285 0.000 1.198 100 D HN 0.689 nan 8.370 nan 0.000 0.437 101 E N 0.897 121.204 120.200 0.178 0.000 2.222 101 E HA 0.566 4.920 4.350 0.008 0.000 0.267 101 E C -0.245 176.405 176.600 0.083 0.000 0.884 101 E CA -0.717 55.775 56.400 0.153 0.000 0.764 101 E CB 2.060 31.813 29.700 0.088 0.000 1.169 101 E HN 0.405 nan 8.360 nan 0.000 0.413 102 I N -1.406 119.138 120.570 -0.043 0.000 3.108 102 I HA 0.756 4.931 4.170 0.008 0.000 0.312 102 I C -0.540 175.349 176.117 -0.379 0.000 1.095 102 I CA -0.867 60.264 61.300 -0.283 0.000 1.000 102 I CB 2.268 39.917 38.000 -0.585 0.000 1.229 102 I HN 0.504 nan 8.210 nan 0.000 0.454 103 S N 1.604 116.944 115.700 -0.600 0.000 2.564 103 S HA 0.745 5.220 4.470 0.008 0.000 0.274 103 S C -1.261 172.707 174.600 -1.055 0.000 1.124 103 S CA -0.625 57.190 58.200 -0.641 0.000 0.869 103 S CB 1.606 64.549 63.200 -0.429 0.000 1.105 103 S HN 0.535 nan 8.310 nan 0.000 0.472 104 F N 0.702 120.129 119.950 -0.872 0.000 2.508 104 F HA 0.631 5.162 4.527 0.007 0.000 0.325 104 F C 0.024 175.263 175.800 -0.936 0.000 1.090 104 F CA -0.357 57.150 58.000 -0.822 0.000 0.945 104 F CB 2.052 40.559 39.000 -0.821 0.000 1.156 104 F HN 0.704 nan 8.300 nan 0.000 0.463 105 H N 0.217 119.263 119.070 -0.040 0.000 2.856 105 H HA 0.442 5.003 4.556 0.007 0.000 0.355 105 H C -1.068 174.390 175.328 0.217 0.000 1.079 105 H CA -0.844 55.242 56.048 0.064 0.000 1.240 105 H CB 1.240 30.997 29.762 -0.008 0.000 1.701 105 H HN 0.614 nan 8.280 nan 0.000 0.527 106 c N 2.551 121.316 118.600 0.275 0.000 2.459 106 c HA 0.279 4.854 4.570 0.008 0.000 0.374 106 c C 0.142 174.396 174.090 0.274 0.000 1.241 106 c CA -0.643 55.790 56.329 0.174 0.000 2.352 106 c CB -0.527 42.093 42.510 0.184 0.000 2.490 106 c HN 0.604 nan 8.230 nan 0.000 0.583 107 Y N 0.744 121.163 120.300 0.198 0.000 2.357 107 Y HA 0.144 4.698 4.550 0.007 0.000 0.340 107 Y C 0.945 177.024 175.900 0.299 0.000 1.260 107 Y CA -0.189 58.046 58.100 0.226 0.000 1.425 107 Y CB 0.007 38.572 38.460 0.175 0.000 1.326 107 Y HN 0.589 nan 8.280 nan 0.000 0.580 108 D N 0.729 121.363 120.400 0.390 0.000 2.531 108 D HA 0.281 4.925 4.640 0.008 0.000 0.239 108 D C 1.171 177.608 176.300 0.229 0.000 1.144 108 D CA 1.832 55.978 54.000 0.243 0.000 0.869 108 D CB 0.424 41.311 40.800 0.146 0.000 1.160 108 D HN 0.793 nan 8.370 nan 0.000 0.484 109 G N 1.373 110.231 108.800 0.096 0.000 2.201 109 G HA2 -0.229 3.736 3.960 0.008 0.000 0.212 109 G HA3 -0.229 3.736 3.960 0.008 0.000 0.212 109 G C -0.209 174.479 174.900 -0.355 0.000 0.994 109 G CA -0.364 44.654 45.100 -0.136 0.000 0.644 109 G HN 0.445 nan 8.290 nan 0.000 0.508 110 Y N 0.678 121.032 120.300 0.089 0.000 2.509 110 Y HA 0.705 5.259 4.550 0.007 0.000 0.341 110 Y C 0.502 176.434 175.900 0.053 0.000 1.038 110 Y CA -0.500 57.637 58.100 0.062 0.000 1.089 110 Y CB 2.291 40.780 38.460 0.048 0.000 1.241 110 Y HN 0.034 nan 8.280 nan 0.000 0.468 111 T N 3.235 117.897 114.554 0.180 0.000 2.829 111 T HA 0.380 4.734 4.350 0.008 0.000 0.280 111 T C -1.144 173.611 174.700 0.092 0.000 0.999 111 T CA -0.628 61.537 62.100 0.110 0.000 0.983 111 T CB 1.181 70.087 68.868 0.062 0.000 0.968 111 T HN 0.381 nan 8.240 nan 0.000 0.446 112 L N 4.454 125.723 121.223 0.075 0.000 2.331 112 L HA 0.559 4.904 4.340 0.008 0.000 0.278 112 L C 0.427 177.307 176.870 0.017 0.000 1.106 112 L CA 0.006 54.877 54.840 0.051 0.000 0.824 112 L CB 0.233 42.319 42.059 0.045 0.000 1.142 112 L HN 0.692 nan 8.230 nan 0.000 0.443 113 R N 4.032 124.530 120.500 -0.004 0.000 2.919 113 R HA 0.929 5.273 4.340 0.008 0.000 0.260 113 R C 0.075 176.339 176.300 -0.061 0.000 1.067 113 R CA -0.081 56.003 56.100 -0.027 0.000 1.003 113 R CB 1.272 31.558 30.300 -0.023 0.000 1.192 113 R HN 0.897 nan 8.270 nan 0.000 0.488 114 G N 0.651 109.410 108.800 -0.070 0.000 2.584 114 G HA2 -0.239 3.726 3.960 0.008 0.000 0.229 114 G HA3 -0.239 3.726 3.960 0.008 0.000 0.229 114 G C -1.044 173.790 174.900 -0.110 0.000 1.320 114 G CA -0.170 44.868 45.100 -0.103 0.000 0.891 114 G HN 0.642 nan 8.290 nan 0.000 0.573 115 S N 0.958 116.567 115.700 -0.151 0.000 2.411 115 S HA 0.562 5.036 4.470 0.008 0.000 0.294 115 S C 1.412 175.929 174.600 -0.138 0.000 1.115 115 S CA 0.695 58.821 58.200 -0.123 0.000 1.071 115 S CB 1.183 64.321 63.200 -0.102 0.000 0.967 115 S HN 1.696 nan 8.310 nan 0.000 0.488 116 A N 4.136 126.894 122.820 -0.104 0.000 1.902 116 A HA -0.061 4.263 4.320 0.008 0.000 0.217 116 A C 0.772 178.288 177.584 -0.113 0.000 1.181 116 A CA 1.134 53.095 52.037 -0.127 0.000 0.623 116 A CB -0.168 18.748 19.000 -0.140 0.000 0.818 116 A HN 0.672 nan 8.150 nan 0.000 0.443 117 N N 0.169 118.824 118.700 -0.074 0.000 2.372 117 N HA 0.539 5.283 4.740 0.008 0.000 0.291 117 N C -0.877 174.631 175.510 -0.004 0.000 1.024 117 N CA -0.217 52.798 53.050 -0.057 0.000 0.873 117 N CB 1.504 39.968 38.487 -0.038 0.000 1.206 117 N HN 0.325 nan 8.380 nan 0.000 0.486 118 R N 0.422 120.936 120.500 0.023 0.000 2.673 118 R HA 0.580 4.924 4.340 0.008 0.000 0.281 118 R C -0.860 175.615 176.300 0.292 0.000 0.991 118 R CA -0.710 55.471 56.100 0.135 0.000 0.896 118 R CB 2.072 32.434 30.300 0.103 0.000 1.201 118 R HN 0.354 nan 8.270 nan 0.000 0.457 119 T N 0.865 115.607 114.554 0.312 0.000 2.807 119 T HA 0.152 4.507 4.350 0.008 0.000 0.279 119 T C -0.506 174.210 174.700 0.026 0.000 0.993 119 T CA -0.436 61.782 62.100 0.197 0.000 0.970 119 T CB 1.482 70.394 68.868 0.074 0.000 0.950 119 T HN 0.615 nan 8.240 nan 0.000 0.441 120 c N 5.079 123.486 118.600 -0.322 0.000 2.624 120 c HA 0.267 4.841 4.570 0.008 0.000 0.397 120 c C 0.639 174.547 174.090 -0.303 0.000 1.331 120 c CA -0.157 55.753 56.329 -0.699 0.000 1.716 120 c CB -1.482 40.562 42.510 -0.777 0.000 2.452 120 c HN 0.811 nan 8.230 nan 0.000 0.586 121 Q N 3.239 122.887 119.800 -0.252 0.000 2.249 121 Q HA 0.202 4.547 4.340 0.008 0.000 0.226 121 Q C 1.020 176.960 176.000 -0.101 0.000 0.983 121 Q CA -0.548 55.181 55.803 -0.124 0.000 0.930 121 Q CB 1.336 30.030 28.738 -0.073 0.000 1.193 121 Q HN 0.677 nan 8.270 nan 0.000 0.508 122 V N 1.740 121.623 119.914 -0.053 0.000 2.759 122 V HA -0.192 3.933 4.120 0.008 0.000 0.256 122 V C 1.231 177.333 176.094 0.013 0.000 1.080 122 V CA 2.086 64.368 62.300 -0.031 0.000 1.101 122 V CB -0.493 31.323 31.823 -0.011 0.000 0.698 122 V HN 0.789 nan 8.190 nan 0.000 0.477 123 N N 0.160 118.880 118.700 0.033 0.000 2.322 123 N HA 0.174 4.918 4.740 0.008 0.000 0.194 123 N C 1.257 176.858 175.510 0.152 0.000 1.126 123 N CA 0.849 53.965 53.050 0.109 0.000 0.845 123 N CB 0.248 38.784 38.487 0.081 0.000 0.976 123 N HN 0.492 nan 8.380 nan 0.000 0.475 124 G N -0.013 108.828 108.800 0.069 0.000 2.148 124 G HA2 -0.324 3.640 3.960 0.008 0.000 0.254 124 G HA3 -0.324 3.640 3.960 0.008 0.000 0.254 124 G C -0.082 174.778 174.900 -0.066 0.000 0.981 124 G CA 0.189 45.327 45.100 0.063 0.000 0.670 124 G HN 0.506 nan 8.290 nan 0.000 0.528 125 R N -1.216 119.224 120.500 -0.101 0.000 2.664 125 R HA 0.619 4.963 4.340 0.008 0.000 0.286 125 R C -0.225 175.982 176.300 -0.156 0.000 0.967 125 R CA -0.709 55.341 56.100 -0.084 0.000 0.933 125 R CB 0.609 30.898 30.300 -0.019 0.000 1.146 125 R HN 0.259 nan 8.270 nan 0.000 0.468 126 W N 1.664 122.947 121.300 -0.028 0.000 2.218 126 W HA 0.198 4.863 4.660 0.008 0.000 0.326 126 W C 0.666 177.155 176.519 -0.049 0.000 1.276 126 W CA -0.120 57.197 57.345 -0.046 0.000 1.210 126 W CB 0.683 30.100 29.460 -0.072 0.000 1.143 126 W HN 0.550 nan 8.180 nan 0.000 0.563 127 S N 2.716 118.535 115.700 0.198 0.000 2.593 127 S HA 0.718 5.192 4.470 0.008 0.000 0.269 127 S C 0.732 175.379 174.600 0.079 0.000 1.334 127 S CA 0.069 58.328 58.200 0.099 0.000 1.015 127 S CB 0.922 64.162 63.200 0.068 0.000 0.912 127 S HN 1.440 nan 8.310 nan 0.000 0.541 128 G N 1.376 110.193 108.800 0.029 0.000 2.553 128 G HA2 -0.107 3.858 3.960 0.008 0.000 0.242 128 G HA3 -0.107 3.858 3.960 0.008 0.000 0.242 128 G C -1.033 173.849 174.900 -0.030 0.000 1.277 128 G CA -0.126 44.970 45.100 -0.006 0.000 0.910 128 G HN 0.931 nan 8.290 nan 0.000 0.576 129 Q N -0.280 119.478 119.800 -0.069 0.000 2.351 129 Q HA 0.576 4.920 4.340 0.008 0.000 0.273 129 Q C -0.041 175.854 176.000 -0.174 0.000 1.077 129 Q CA -0.517 55.227 55.803 -0.099 0.000 0.843 129 Q CB 1.487 30.174 28.738 -0.085 0.000 1.367 129 Q HN 0.716 nan 8.270 nan 0.000 0.449 130 T N 1.581 116.018 114.554 -0.196 0.000 2.866 130 T HA 0.173 4.528 4.350 0.008 0.000 0.293 130 T C 0.071 174.586 174.700 -0.309 0.000 1.005 130 T CA 0.064 61.994 62.100 -0.283 0.000 1.162 130 T CB 0.058 68.792 68.868 -0.223 0.000 0.968 130 T HN 0.554 nan 8.240 nan 0.000 0.530 131 A N 4.660 127.173 122.820 -0.513 0.000 2.401 131 A HA 0.621 4.945 4.320 0.008 0.000 0.259 131 A C 0.072 177.593 177.584 -0.105 0.000 1.103 131 A CA -0.506 51.287 52.037 -0.407 0.000 0.789 131 A CB -0.016 18.487 19.000 -0.828 0.000 1.035 131 A HN 0.862 nan 8.150 nan 0.000 0.491 132 I N 1.472 122.020 120.570 -0.038 0.000 2.533 132 I HA 0.260 4.434 4.170 0.008 0.000 0.290 132 I C -0.910 175.173 176.117 -0.057 0.000 1.056 132 I CA -0.423 60.841 61.300 -0.060 0.000 1.057 132 I CB 2.092 40.034 38.000 -0.097 0.000 1.240 132 I HN 0.505 nan 8.210 nan 0.000 0.423 133 c N 3.834 122.321 118.600 -0.189 0.000 2.264 133 c HA 0.569 5.144 4.570 0.008 0.000 0.324 133 c C -0.249 173.832 174.090 -0.014 0.000 1.267 133 c CA -0.192 56.063 56.329 -0.123 0.000 1.618 133 c CB 0.136 42.455 42.510 -0.319 0.000 2.278 133 c HN 0.611 nan 8.230 nan 0.000 0.499 134 D N 1.850 122.347 120.400 0.162 0.000 2.879 134 D HA 0.283 4.927 4.640 0.008 0.000 0.236 134 D C 0.080 176.521 176.300 0.235 0.000 1.171 134 D CA -0.247 53.878 54.000 0.208 0.000 0.868 134 D CB 1.228 42.076 40.800 0.079 0.000 1.598 134 D HN 0.611 nan 8.370 nan 0.000 0.497 135 N N 1.943 120.757 118.700 0.190 0.000 2.230 135 N HA 0.159 4.904 4.740 0.008 0.000 0.202 135 N C 1.222 176.725 175.510 -0.012 0.000 1.119 135 N CA 0.467 53.484 53.050 -0.055 0.000 0.851 135 N CB 0.465 38.734 38.487 -0.363 0.000 0.990 135 N HN 0.615 nan 8.380 nan 0.000 0.497 136 G N -0.687 108.138 108.800 0.042 0.000 2.166 136 G HA2 -0.318 3.647 3.960 0.008 0.000 0.260 136 G HA3 -0.318 3.647 3.960 0.008 0.000 0.260 136 G C 0.921 175.838 174.900 0.028 0.000 0.986 136 G CA 0.551 45.667 45.100 0.026 0.000 0.683 136 G HN 0.811 nan 8.290 nan 0.000 0.527 137 A N -0.282 122.572 122.820 0.056 0.000 2.132 137 A HA 0.621 4.945 4.320 0.008 0.000 0.213 137 A C 1.729 179.372 177.584 0.098 0.000 1.154 137 A CA 1.579 53.652 52.037 0.060 0.000 0.753 137 A CB -0.034 18.998 19.000 0.054 0.000 0.826 137 A HN 1.696 nan 8.150 nan 0.000 0.469 138 G N -2.679 106.211 108.800 0.151 0.000 2.507 138 G HA2 0.299 4.264 3.960 0.008 0.000 0.271 138 G HA3 0.299 4.264 3.960 0.008 0.000 0.271 138 G C 0.472 175.455 174.900 0.139 0.000 1.189 138 G CA -0.182 45.042 45.100 0.206 0.000 0.859 138 G HN 0.266 nan 8.290 nan 0.000 0.542 139 Y N 0.175 120.505 120.300 0.050 0.000 2.114 139 Y HA -0.159 4.396 4.550 0.008 0.000 0.282 139 Y C 1.669 177.535 175.900 -0.057 0.000 1.165 139 Y CA 1.060 59.152 58.100 -0.014 0.000 1.148 139 Y CB 0.019 38.454 38.460 -0.042 0.000 0.972 139 Y HN 0.410 nan 8.280 nan 0.000 0.504 140 c N 0.302 118.952 118.600 0.085 0.000 2.401 140 c HA 0.483 5.058 4.570 0.008 0.000 0.356 140 c C 0.362 174.506 174.090 0.091 0.000 1.192 140 c CA -0.684 55.594 56.329 -0.084 0.000 2.028 140 c CB 0.851 43.047 42.510 -0.524 0.000 2.344 140 c HN 0.532 nan 8.230 nan 0.000 0.525 141 S N 2.110 117.885 115.700 0.125 0.000 2.584 141 S HA 0.046 4.520 4.470 0.008 0.000 0.270 141 S C -0.062 174.607 174.600 0.115 0.000 1.346 141 S CA -0.220 58.068 58.200 0.148 0.000 1.018 141 S CB 0.212 63.493 63.200 0.136 0.000 0.899 141 S HN 0.784 nan 8.310 nan 0.000 0.542 142 N N 2.530 121.144 118.700 -0.144 0.000 2.440 142 N HA 0.105 4.850 4.740 0.008 0.000 0.265 142 N C -1.395 173.867 175.510 -0.414 0.000 1.239 142 N CA -1.830 50.899 53.050 -0.534 0.000 0.909 142 N CB 0.767 39.110 38.487 -0.239 0.000 1.066 142 N HN 0.424 nan 8.380 nan 0.000 0.474 143 P HA 0.107 nan 4.420 nan 0.000 0.229 143 P C 0.459 177.548 177.300 -0.351 0.000 1.160 143 P CA 0.614 63.296 63.100 -0.696 0.000 0.777 143 P CB 0.014 30.941 31.700 -1.288 0.000 0.814 144 G N 0.463 109.108 108.800 -0.258 0.000 2.756 144 G HA2 -0.138 3.827 3.960 0.008 0.000 0.678 144 G HA3 -0.138 3.827 3.960 0.008 0.000 0.678 144 G C -0.969 173.918 174.900 -0.022 0.000 1.349 144 G CA -0.566 44.449 45.100 -0.143 0.000 0.847 144 G HN 0.173 nan 8.290 nan 0.000 0.548 145 I N 1.373 121.939 120.570 -0.007 0.000 2.521 145 I HA 0.305 4.480 4.170 0.008 0.000 0.277 145 I C -2.320 173.774 176.117 -0.038 0.000 1.054 145 I CA -1.844 59.501 61.300 0.075 0.000 1.117 145 I CB 2.221 40.289 38.000 0.113 0.000 1.217 145 I HN 0.213 nan 8.210 nan 0.000 0.469 146 P HA 0.099 nan 4.420 nan 0.000 0.264 146 P C -0.037 177.203 177.300 -0.099 0.000 1.183 146 P CA 0.098 63.103 63.100 -0.158 0.000 0.763 146 P CB 0.486 32.058 31.700 -0.214 0.000 0.807 147 I N 2.191 122.687 120.570 -0.124 0.000 2.662 147 I HA 0.117 4.292 4.170 0.008 0.000 0.285 147 I C 1.666 177.806 176.117 0.038 0.000 1.161 147 I CA 1.208 62.458 61.300 -0.082 0.000 1.415 147 I CB -0.541 37.331 38.000 -0.213 0.000 1.385 147 I HN 0.748 nan 8.210 nan 0.000 0.552 148 G N 3.888 112.733 108.800 0.075 0.000 2.307 148 G HA2 -0.218 3.747 3.960 0.008 0.000 0.210 148 G HA3 -0.218 3.747 3.960 0.008 0.000 0.210 148 G C 0.337 175.282 174.900 0.074 0.000 1.005 148 G CA 0.022 45.181 45.100 0.099 0.000 0.634 148 G HN 0.741 nan 8.290 nan 0.000 0.496 149 T N -1.518 113.068 114.554 0.054 0.000 2.927 149 T HA 0.718 5.073 4.350 0.008 0.000 0.281 149 T C -0.113 174.637 174.700 0.084 0.000 0.998 149 T CA -0.151 61.989 62.100 0.066 0.000 1.019 149 T CB 2.521 71.418 68.868 0.047 0.000 1.061 149 T HN 0.581 nan 8.240 nan 0.000 0.518 150 R N 0.652 121.190 120.500 0.064 0.000 2.534 150 R HA 0.489 4.834 4.340 0.008 0.000 0.301 150 R C -0.925 175.431 176.300 0.094 0.000 0.961 150 R CA -0.817 55.249 56.100 -0.056 0.000 0.871 150 R CB 1.392 31.475 30.300 -0.362 0.000 1.170 150 R HN 0.796 nan 8.270 nan 0.000 0.446 151 K N 3.448 123.859 120.400 0.018 0.000 2.206 151 K HA 0.363 4.688 4.320 0.008 0.000 0.264 151 K C -1.317 175.221 176.600 -0.102 0.000 0.967 151 K CA -0.627 55.553 56.287 -0.178 0.000 0.844 151 K CB 1.677 34.038 32.500 -0.231 0.000 1.099 151 K HN 0.300 nan 8.250 nan 0.000 0.441 152 V N 3.016 122.862 119.914 -0.113 0.000 2.459 152 V HA 0.706 4.831 4.120 0.008 0.000 0.295 152 V C -0.005 176.039 176.094 -0.083 0.000 1.029 152 V CA -0.058 62.214 62.300 -0.047 0.000 0.874 152 V CB 0.988 32.836 31.823 0.042 0.000 0.985 152 V HN 1.031 nan 8.190 nan 0.000 0.438 153 G N 3.363 112.131 108.800 -0.053 0.000 3.367 153 G HA2 -0.007 3.957 3.960 0.008 0.000 0.686 153 G HA3 -0.007 3.957 3.960 0.008 0.000 0.686 153 G C -0.062 174.809 174.900 -0.049 0.000 1.146 153 G CA -0.034 45.040 45.100 -0.043 0.000 0.913 153 G HN 0.840 nan 8.290 nan 0.000 0.554 154 S N 1.300 116.913 115.700 -0.145 0.000 2.780 154 S HA 0.273 4.748 4.470 0.008 0.000 0.248 154 S C 0.710 174.849 174.600 -0.770 0.000 1.036 154 S CA 0.268 58.279 58.200 -0.315 0.000 1.061 154 S CB 0.090 63.201 63.200 -0.149 0.000 1.037 154 S HN 0.653 nan 8.310 nan 0.000 0.584 155 Q N 0.747 120.224 119.800 -0.539 0.000 2.271 155 Q HA 0.330 4.675 4.340 0.008 0.000 0.258 155 Q C -1.305 174.503 176.000 -0.320 0.000 0.936 155 Q CA -0.384 55.147 55.803 -0.453 0.000 0.909 155 Q CB 1.052 29.694 28.738 -0.160 0.000 1.253 155 Q HN 0.429 nan 8.270 nan 0.000 0.440 156 Y N 0.732 121.144 120.300 0.188 0.000 2.699 156 Y HA 0.297 4.851 4.550 0.008 0.000 0.282 156 Y C 0.008 175.978 175.900 0.116 0.000 1.058 156 Y CA -0.634 57.618 58.100 0.254 0.000 1.194 156 Y CB 0.236 38.917 38.460 0.369 0.000 1.193 156 Y HN 0.335 nan 8.280 nan 0.000 0.562 157 R N 0.333 120.915 120.500 0.136 0.000 2.637 157 R HA 0.294 4.638 4.340 0.008 0.000 0.269 157 R C -0.270 175.979 176.300 -0.084 0.000 1.089 157 R CA -1.096 55.034 56.100 0.050 0.000 1.177 157 R CB 0.578 30.873 30.300 -0.008 0.000 1.091 157 R HN 0.157 nan 8.270 nan 0.000 0.540 158 L N 2.629 123.648 121.223 -0.340 0.000 2.601 158 L HA -0.094 4.251 4.340 0.008 0.000 0.277 158 L C 0.236 176.938 176.870 -0.280 0.000 1.219 158 L CA 0.982 55.482 54.840 -0.566 0.000 0.915 158 L CB -0.230 41.199 42.059 -1.049 0.000 1.160 158 L HN 0.712 nan 8.230 nan 0.000 0.494 159 E N 1.006 121.079 120.200 -0.211 0.000 4.028 159 E HA -0.217 4.137 4.350 0.008 0.000 0.343 159 E C -0.232 176.343 176.600 -0.042 0.000 0.700 159 E CA 1.134 57.466 56.400 -0.112 0.000 1.288 159 E CB -1.267 28.369 29.700 -0.106 0.000 1.677 159 E HN 0.846 nan 8.360 nan 0.000 0.424 160 D N 0.339 120.727 120.400 -0.021 0.000 2.362 160 D HA 0.308 4.952 4.640 0.008 0.000 0.242 160 D C 0.207 176.618 176.300 0.185 0.000 1.132 160 D CA 0.372 54.417 54.000 0.074 0.000 0.907 160 D CB 0.828 41.696 40.800 0.114 0.000 1.195 160 D HN -0.123 nan 8.370 nan 0.000 0.429 161 S N -0.364 115.460 115.700 0.207 0.000 2.600 161 S HA 0.662 5.136 4.470 0.008 0.000 0.300 161 S C -0.527 174.197 174.600 0.207 0.000 1.087 161 S CA -0.859 57.498 58.200 0.263 0.000 0.965 161 S CB 1.896 65.177 63.200 0.135 0.000 1.089 161 S HN 0.323 nan 8.310 nan 0.000 0.496 162 V N -0.023 119.962 119.914 0.118 0.000 2.680 162 V HA 0.958 5.083 4.120 0.008 0.000 0.309 162 V C -0.223 175.732 176.094 -0.232 0.000 1.052 162 V CA -0.708 61.519 62.300 -0.122 0.000 0.908 162 V CB 1.286 32.921 31.823 -0.314 0.000 1.001 162 V HN 0.942 nan 8.190 nan 0.000 0.431 163 T N 1.319 115.694 114.554 -0.298 0.000 2.912 163 T HA 0.800 5.154 4.350 0.008 0.000 0.288 163 T C -1.173 173.200 174.700 -0.546 0.000 1.030 163 T CA -0.522 61.398 62.100 -0.301 0.000 1.020 163 T CB 1.650 70.440 68.868 -0.131 0.000 1.056 163 T HN 0.703 nan 8.240 nan 0.000 0.480 164 Y N -0.118 119.952 120.300 -0.384 0.000 2.499 164 Y HA 0.628 5.183 4.550 0.008 0.000 0.347 164 Y C -0.095 175.419 175.900 -0.644 0.000 0.987 164 Y CA -0.871 57.019 58.100 -0.349 0.000 1.044 164 Y CB 2.253 40.591 38.460 -0.204 0.000 1.245 164 Y HN 0.848 nan 8.280 nan 0.000 0.461 165 H N -0.242 118.881 119.070 0.088 0.000 2.771 165 H HA 0.556 5.116 4.556 0.007 0.000 0.361 165 H C -1.091 174.237 175.328 0.000 0.000 1.108 165 H CA -0.806 55.251 56.048 0.015 0.000 1.201 165 H CB 1.230 30.973 29.762 -0.033 0.000 1.681 165 H HN 0.674 nan 8.280 nan 0.000 0.534 166 c N 1.320 119.975 118.600 0.091 0.000 2.325 166 c HA 0.542 5.116 4.570 0.008 0.000 0.370 166 c C 0.544 174.668 174.090 0.056 0.000 1.217 166 c CA -0.592 55.768 56.329 0.051 0.000 2.254 166 c CB 1.079 43.598 42.510 0.015 0.000 2.282 166 c HN 0.859 nan 8.230 nan 0.000 0.564 167 S N 0.457 116.188 115.700 0.052 0.000 2.592 167 S HA 0.246 4.721 4.470 0.008 0.000 0.271 167 S C 0.183 174.812 174.600 0.049 0.000 1.326 167 S CA -0.425 57.810 58.200 0.058 0.000 1.024 167 S CB 0.268 63.515 63.200 0.078 0.000 0.921 167 S HN 0.659 nan 8.310 nan 0.000 0.527 168 R N 0.441 120.971 120.500 0.050 0.000 2.481 168 R HA 0.127 4.471 4.340 0.008 0.000 0.291 168 R C 1.423 177.750 176.300 0.045 0.000 0.934 168 R CA 1.427 57.554 56.100 0.045 0.000 1.116 168 R CB -0.584 29.745 30.300 0.048 0.000 0.895 168 R HN 1.006 nan 8.270 nan 0.000 0.410 169 G N 2.839 111.660 108.800 0.035 0.000 2.317 169 G HA2 -0.277 3.688 3.960 0.008 0.000 0.227 169 G HA3 -0.277 3.688 3.960 0.008 0.000 0.227 169 G C -0.388 174.520 174.900 0.013 0.000 1.042 169 G CA -0.006 45.113 45.100 0.032 0.000 0.623 169 G HN 0.453 nan 8.290 nan 0.000 0.509 170 L N 1.573 122.800 121.223 0.007 0.000 2.416 170 L HA 0.755 5.100 4.340 0.008 0.000 0.262 170 L C 0.557 177.411 176.870 -0.026 0.000 1.093 170 L CA 0.003 54.830 54.840 -0.022 0.000 0.801 170 L CB 1.746 43.794 42.059 -0.018 0.000 1.191 170 L HN 0.154 nan 8.230 nan 0.000 0.459 171 T N 1.728 116.250 114.554 -0.053 0.000 2.841 171 T HA 0.481 4.835 4.350 0.008 0.000 0.283 171 T C -0.700 173.960 174.700 -0.067 0.000 1.000 171 T CA -0.515 61.554 62.100 -0.052 0.000 0.977 171 T CB 1.442 70.275 68.868 -0.059 0.000 0.979 171 T HN 0.293 nan 8.240 nan 0.000 0.446 172 L N 3.422 124.609 121.223 -0.061 0.000 2.367 172 L HA 0.446 4.791 4.340 0.008 0.000 0.275 172 L C 0.478 177.292 176.870 -0.094 0.000 1.129 172 L CA 0.061 54.855 54.840 -0.078 0.000 0.839 172 L CB 0.299 42.314 42.059 -0.072 0.000 1.133 172 L HN 0.526 nan 8.230 nan 0.000 0.453 173 R N 4.112 124.544 120.500 -0.113 0.000 2.514 173 R HA 0.713 5.057 4.340 0.008 0.000 0.301 173 R C 0.058 176.276 176.300 -0.137 0.000 0.962 173 R CA 0.244 56.270 56.100 -0.124 0.000 0.882 173 R CB 1.140 31.361 30.300 -0.131 0.000 1.143 173 R HN 0.915 nan 8.270 nan 0.000 0.452 174 G N 1.519 110.240 108.800 -0.132 0.000 2.545 174 G HA2 -0.230 3.734 3.960 0.008 0.000 0.216 174 G HA3 -0.230 3.734 3.960 0.008 0.000 0.216 174 G C -1.130 173.701 174.900 -0.115 0.000 1.314 174 G CA -0.405 44.615 45.100 -0.133 0.000 0.906 174 G HN 0.597 nan 8.290 nan 0.000 0.563 175 S N 0.857 116.491 115.700 -0.110 0.000 2.499 175 S HA 0.393 4.867 4.470 0.008 0.000 0.275 175 S C 1.409 175.988 174.600 -0.036 0.000 1.257 175 S CA 0.662 58.826 58.200 -0.061 0.000 1.050 175 S CB 1.528 64.713 63.200 -0.024 0.000 0.937 175 S HN 0.983 nan 8.310 nan 0.000 0.490 176 Q N 3.334 123.119 119.800 -0.026 0.000 2.245 176 Q HA 0.057 4.401 4.340 0.008 0.000 0.201 176 Q C 0.703 176.716 176.000 0.023 0.000 0.955 176 Q CA 1.101 56.892 55.803 -0.020 0.000 0.870 176 Q CB 0.234 28.929 28.738 -0.072 0.000 0.945 176 Q HN 0.549 nan 8.270 nan 0.000 0.461 177 R N 0.126 120.647 120.500 0.035 0.000 2.621 177 R HA 0.515 4.860 4.340 0.008 0.000 0.292 177 R C -1.252 175.108 176.300 0.100 0.000 0.969 177 R CA -0.730 55.400 56.100 0.051 0.000 0.887 177 R CB 1.298 31.614 30.300 0.027 0.000 1.180 177 R HN 0.123 nan 8.270 nan 0.000 0.450 178 R N 1.910 122.497 120.500 0.146 0.000 2.670 178 R HA 0.421 4.766 4.340 0.008 0.000 0.289 178 R C -1.057 175.491 176.300 0.413 0.000 0.965 178 R CA -0.889 55.359 56.100 0.247 0.000 0.899 178 R CB 2.648 33.081 30.300 0.220 0.000 1.173 178 R HN 0.509 nan 8.270 nan 0.000 0.456 179 T N 0.990 115.797 114.554 0.422 0.000 2.841 179 T HA 0.141 4.496 4.350 0.008 0.000 0.283 179 T C -0.570 174.205 174.700 0.125 0.000 1.000 179 T CA -0.456 61.831 62.100 0.312 0.000 0.977 179 T CB 1.555 70.501 68.868 0.130 0.000 0.979 179 T HN 0.628 nan 8.240 nan 0.000 0.446 180 c N 4.887 123.348 118.600 -0.230 0.000 2.624 180 c HA 0.322 4.896 4.570 0.008 0.000 0.397 180 c C 0.361 174.274 174.090 -0.296 0.000 1.331 180 c CA -0.133 55.780 56.329 -0.693 0.000 1.716 180 c CB -1.588 40.446 42.510 -0.794 0.000 2.452 180 c HN 0.803 nan 8.230 nan 0.000 0.586 181 Q N 3.043 122.708 119.800 -0.225 0.000 2.226 181 Q HA 0.311 4.656 4.340 0.008 0.000 0.256 181 Q C -0.277 175.742 176.000 0.031 0.000 0.962 181 Q CA -0.398 55.355 55.803 -0.083 0.000 0.887 181 Q CB 1.447 30.157 28.738 -0.046 0.000 1.282 181 Q HN 0.806 nan 8.270 nan 0.000 0.449 182 E N -0.065 120.158 120.200 0.038 0.000 2.608 182 E HA -0.033 4.322 4.350 0.008 0.000 0.259 182 E C 0.487 177.170 176.600 0.139 0.000 0.951 182 E CA 1.310 57.799 56.400 0.147 0.000 0.945 182 E CB -0.024 29.712 29.700 0.061 0.000 0.916 182 E HN 0.809 nan 8.360 nan 0.000 0.477 183 G N 2.656 111.553 108.800 0.162 0.000 2.232 183 G HA2 -0.257 3.708 3.960 0.008 0.000 0.226 183 G HA3 -0.257 3.708 3.960 0.008 0.000 0.226 183 G C 0.824 175.652 174.900 -0.120 0.000 0.996 183 G CA 0.154 45.249 45.100 -0.008 0.000 0.626 183 G HN 1.570 nan 8.290 nan 0.000 0.509 184 G N -1.285 107.445 108.800 -0.117 0.000 2.144 184 G HA2 0.210 4.174 3.960 0.008 0.000 0.218 184 G HA3 0.210 4.174 3.960 0.008 0.000 0.218 184 G C 0.466 175.251 174.900 -0.191 0.000 0.988 184 G CA 1.284 46.242 45.100 -0.237 0.000 0.659 184 G HN 2.375 nan 8.290 nan 0.000 0.522 185 S N -0.969 114.642 115.700 -0.149 0.000 2.638 185 S HA 0.777 5.252 4.470 0.008 0.000 0.298 185 S C -0.341 174.136 174.600 -0.205 0.000 1.111 185 S CA -0.922 57.210 58.200 -0.114 0.000 1.027 185 S CB 1.621 64.816 63.200 -0.008 0.000 1.064 185 S HN 0.454 nan 8.310 nan 0.000 0.525 186 W N 1.933 123.248 121.300 0.024 0.000 2.365 186 W HA 0.520 5.185 4.660 0.008 0.000 0.316 186 W C 1.028 177.559 176.519 0.020 0.000 1.164 186 W CA -0.402 56.960 57.345 0.029 0.000 1.204 186 W CB 1.188 30.661 29.460 0.021 0.000 1.213 186 W HN 0.918 nan 8.180 nan 0.000 0.539 187 S N 2.481 118.334 115.700 0.257 0.000 2.596 187 S HA 0.717 5.192 4.470 0.008 0.000 0.260 187 S C 0.824 175.507 174.600 0.139 0.000 1.336 187 S CA 0.120 58.409 58.200 0.149 0.000 0.993 187 S CB 0.630 63.895 63.200 0.107 0.000 0.923 187 S HN 1.420 nan 8.310 nan 0.000 0.567 188 G N 0.029 108.868 108.800 0.066 0.000 2.601 188 G HA2 -0.042 3.923 3.960 0.008 0.000 0.252 188 G HA3 -0.042 3.923 3.960 0.008 0.000 0.252 188 G C -0.069 174.839 174.900 0.014 0.000 1.294 188 G CA 0.073 45.188 45.100 0.024 0.000 0.912 188 G HN 1.638 nan 8.290 nan 0.000 0.574 189 T N -0.844 113.695 114.554 -0.025 0.000 2.896 189 T HA 0.530 4.885 4.350 0.008 0.000 0.297 189 T C -0.139 174.495 174.700 -0.111 0.000 1.108 189 T CA 0.559 62.630 62.100 -0.049 0.000 1.004 189 T CB 1.629 70.467 68.868 -0.050 0.000 1.159 189 T HN 0.915 nan 8.240 nan 0.000 0.499 190 E N 3.736 123.854 120.200 -0.137 0.000 2.417 190 E HA 0.185 4.539 4.350 0.008 0.000 0.261 190 E C -2.003 174.434 176.600 -0.272 0.000 1.000 190 E CA -1.303 54.954 56.400 -0.238 0.000 0.919 190 E CB 0.586 30.165 29.700 -0.203 0.000 0.955 190 E HN 0.312 nan 8.360 nan 0.000 0.455 191 P HA 0.078 nan 4.420 nan 0.000 0.276 191 P C -1.171 175.963 177.300 -0.275 0.000 1.261 191 P CA -0.410 62.482 63.100 -0.347 0.000 0.800 191 P CB 1.231 32.646 31.700 -0.474 0.000 1.066 192 S N -1.034 114.550 115.700 -0.194 0.000 2.570 192 S HA 0.458 4.933 4.470 0.008 0.000 0.270 192 S C -1.105 173.426 174.600 -0.114 0.000 1.149 192 S CA -0.729 57.386 58.200 -0.143 0.000 0.837 192 S CB 0.434 63.564 63.200 -0.116 0.000 1.124 192 S HN 0.511 nan 8.310 nan 0.000 0.465 193 c N 2.586 121.136 118.600 -0.084 0.000 2.273 193 c HA 0.665 5.239 4.570 0.008 0.000 0.328 193 c C -0.322 173.707 174.090 -0.103 0.000 1.275 193 c CA -0.535 55.751 56.329 -0.072 0.000 1.704 193 c CB 0.419 42.911 42.510 -0.031 0.000 2.326 193 c HN 0.751 nan 8.230 nan 0.000 0.517 194 Q N 2.483 122.207 119.800 -0.127 0.000 2.314 194 Q HA 0.326 4.670 4.340 0.008 0.000 0.259 194 Q C -0.481 175.390 176.000 -0.216 0.000 0.951 194 Q CA -0.187 55.501 55.803 -0.192 0.000 0.909 194 Q CB 1.722 30.350 28.738 -0.184 0.000 1.236 194 Q HN 0.665 nan 8.270 nan 0.000 0.444 195 D N 0.504 120.699 120.400 -0.341 0.000 2.354 195 D HA 0.048 4.693 4.640 0.008 0.000 0.247 195 D C 1.081 177.141 176.300 -0.400 0.000 1.138 195 D CA 0.025 53.813 54.000 -0.353 0.000 0.958 195 D CB 1.251 41.779 40.800 -0.454 0.000 1.144 195 D HN 0.499 nan 8.370 nan 0.000 0.458 196 S N 1.060 116.651 115.700 -0.182 0.000 2.419 196 S HA -0.221 4.254 4.470 0.008 0.000 0.235 196 S C 1.832 176.370 174.600 -0.103 0.000 1.019 196 S CA 0.996 59.139 58.200 -0.095 0.000 0.982 196 S CB -0.609 62.625 63.200 0.057 0.000 0.789 196 S HN 0.599 nan 8.310 nan 0.000 0.490 197 F N 0.247 120.155 119.950 -0.070 0.000 2.743 197 F HA 0.517 5.048 4.527 0.007 0.000 0.297 197 F C 0.787 176.508 175.800 -0.132 0.000 1.131 197 F CA -0.987 57.000 58.000 -0.021 0.000 1.426 197 F CB -0.592 38.474 39.000 0.111 0.000 1.116 197 F HN 0.015 nan 8.300 nan 0.000 0.583 198 M N 1.456 120.605 119.600 -0.751 0.000 2.188 198 M HA 0.246 4.730 4.480 0.008 0.000 0.354 198 M C -1.413 174.597 176.300 -0.484 0.000 1.342 198 M CA 0.178 55.140 55.300 -0.563 0.000 1.117 198 M CB 0.468 32.697 32.600 -0.619 0.000 1.670 198 M HN 0.067 nan 8.290 nan 0.000 0.466 199 Y N 0.332 120.613 120.300 -0.031 0.000 2.570 199 Y HA 0.349 4.904 4.550 0.008 0.000 0.345 199 Y C -0.231 175.676 175.900 0.012 0.000 1.014 199 Y CA -1.157 56.947 58.100 0.006 0.000 1.063 199 Y CB 1.442 39.925 38.460 0.038 0.000 1.272 199 Y HN 0.530 nan 8.280 nan 0.000 0.477 200 D N 1.055 121.588 120.400 0.221 0.000 2.225 200 D HA 0.167 4.812 4.640 0.008 0.000 0.248 200 D C -0.019 176.347 176.300 0.110 0.000 1.096 200 D CA -0.169 53.917 54.000 0.143 0.000 0.863 200 D CB 1.374 42.279 40.800 0.174 0.000 1.156 200 D HN 0.583 nan 8.370 nan 0.000 0.450 201 T N -0.384 114.206 114.554 0.060 0.000 2.926 201 T HA 0.142 4.496 4.350 0.008 0.000 0.307 201 T C -1.783 172.892 174.700 -0.042 0.000 1.059 201 T CA -1.288 60.821 62.100 0.014 0.000 1.122 201 T CB 1.332 70.212 68.868 0.020 0.000 0.972 201 T HN -0.006 nan 8.240 nan 0.000 0.545 202 P HA -0.105 nan 4.420 nan 0.000 0.218 202 P C 1.451 178.639 177.300 -0.186 0.000 1.148 202 P CA 1.047 64.068 63.100 -0.132 0.000 0.822 202 P CB 0.034 31.664 31.700 -0.117 0.000 0.784 203 Q N -0.308 119.395 119.800 -0.161 0.000 2.119 203 Q HA -0.142 4.203 4.340 0.008 0.000 0.201 203 Q C 2.090 177.883 176.000 -0.346 0.000 0.972 203 Q CA 1.421 57.065 55.803 -0.265 0.000 0.847 203 Q CB -0.797 27.843 28.738 -0.163 0.000 0.903 203 Q HN 0.389 nan 8.270 nan 0.000 0.433 204 E N -0.339 119.739 120.200 -0.202 0.000 2.047 204 E HA -0.138 4.217 4.350 0.008 0.000 0.191 204 E C 1.936 178.442 176.600 -0.156 0.000 0.987 204 E CA 1.306 57.614 56.400 -0.154 0.000 0.799 204 E CB 0.028 29.698 29.700 -0.049 0.000 0.752 204 E HN 0.116 nan 8.360 nan 0.000 0.449 205 V N 1.246 121.046 119.914 -0.189 0.000 2.343 205 V HA -0.266 3.859 4.120 0.008 0.000 0.247 205 V C 2.296 178.162 176.094 -0.380 0.000 1.051 205 V CA 1.778 63.861 62.300 -0.363 0.000 1.036 205 V CB -0.745 30.824 31.823 -0.422 0.000 0.654 205 V HN 0.325 nan 8.190 nan 0.000 0.451 206 A N 0.498 123.117 122.820 -0.335 0.000 1.908 206 A HA -0.274 4.050 4.320 0.008 0.000 0.218 206 A C 2.220 179.742 177.584 -0.103 0.000 1.181 206 A CA 2.202 54.095 52.037 -0.240 0.000 0.627 206 A CB -0.489 18.346 19.000 -0.275 0.000 0.818 206 A HN 0.632 nan 8.150 nan 0.000 0.445 207 E N 0.401 120.408 120.200 -0.321 0.000 2.072 207 E HA 0.007 4.362 4.350 0.008 0.000 0.191 207 E C 1.912 178.558 176.600 0.077 0.000 0.985 207 E CA 1.708 58.065 56.400 -0.072 0.000 0.801 207 E CB -0.561 28.952 29.700 -0.313 0.000 0.750 207 E HN 0.412 nan 8.360 nan 0.000 0.452 208 A N -0.118 122.726 122.820 0.040 0.000 1.933 208 A HA -0.084 4.240 4.320 0.008 0.000 0.218 208 A C 2.189 179.912 177.584 0.231 0.000 1.175 208 A CA 1.409 53.543 52.037 0.162 0.000 0.628 208 A CB -0.930 18.250 19.000 0.300 0.000 0.814 208 A HN 0.467 nan 8.150 nan 0.000 0.444 209 F N 0.277 120.209 119.950 -0.030 0.000 2.128 209 F HA -0.008 4.523 4.527 0.007 0.000 0.295 209 F C 1.918 177.714 175.800 -0.006 0.000 1.100 209 F CA 1.308 59.285 58.000 -0.038 0.000 1.260 209 F CB -0.286 38.572 39.000 -0.238 0.000 1.009 209 F HN 0.111 nan 8.300 nan 0.000 0.476 210 L N -0.053 121.186 121.223 0.027 0.000 2.046 210 L HA -0.209 4.135 4.340 0.008 0.000 0.208 210 L C 2.625 179.460 176.870 -0.058 0.000 1.077 210 L CA 1.731 56.555 54.840 -0.026 0.000 0.747 210 L CB -0.849 41.339 42.059 0.216 0.000 0.896 210 L HN 0.374 nan 8.230 nan 0.000 0.432 211 S N -2.420 113.300 115.700 0.034 0.000 2.522 211 S HA -0.099 4.375 4.470 0.008 0.000 0.227 211 S C 2.004 176.597 174.600 -0.011 0.000 0.986 211 S CA 0.946 59.163 58.200 0.028 0.000 0.929 211 S CB 0.231 63.483 63.200 0.088 0.000 0.769 211 S HN 0.320 nan 8.310 nan 0.000 0.529 212 S N 0.829 116.507 115.700 -0.038 0.000 2.371 212 S HA 0.147 4.622 4.470 0.008 0.000 0.221 212 S C 1.657 176.214 174.600 -0.072 0.000 1.036 212 S CA 0.692 58.875 58.200 -0.029 0.000 0.965 212 S CB -0.525 62.684 63.200 0.013 0.000 0.845 212 S HN 0.481 nan 8.310 nan 0.000 0.475 213 L N 2.098 123.166 121.223 -0.257 0.000 2.093 213 L HA 0.145 4.489 4.340 0.008 0.000 0.208 213 L C 1.254 177.987 176.870 -0.229 0.000 1.085 213 L CA 1.710 56.371 54.840 -0.298 0.000 0.755 213 L CB -0.667 40.999 42.059 -0.654 0.000 0.904 213 L HN 0.564 nan 8.230 nan 0.000 0.435 214 T N -3.072 111.335 114.554 -0.246 0.000 2.949 214 T HA 0.481 4.836 4.350 0.008 0.000 0.287 214 T C -0.170 174.435 174.700 -0.158 0.000 1.034 214 T CA -0.871 61.067 62.100 -0.271 0.000 1.018 214 T CB 1.520 70.140 68.868 -0.413 0.000 1.135 214 T HN 0.186 nan 8.240 nan 0.000 0.532 215 E N 0.139 120.250 120.200 -0.149 0.000 2.212 215 E HA 0.442 4.797 4.350 0.008 0.000 0.270 215 E C -0.603 175.954 176.600 -0.072 0.000 0.956 215 E CA -0.825 55.523 56.400 -0.086 0.000 0.825 215 E CB 1.843 31.501 29.700 -0.069 0.000 1.167 215 E HN 0.718 nan 8.360 nan 0.000 0.400 216 T N 1.908 116.441 114.554 -0.035 0.000 2.856 216 T HA 0.444 4.798 4.350 0.008 0.000 0.292 216 T C 0.013 174.707 174.700 -0.010 0.000 0.980 216 T CA -0.388 61.702 62.100 -0.016 0.000 1.091 216 T CB 0.176 69.046 68.868 0.002 0.000 0.936 216 T HN 0.295 nan 8.240 nan 0.000 0.503 234 R N 1.074 121.646 120.500 0.121 0.000 2.919 234 R HA 0.527 4.871 4.340 0.008 0.000 0.260 234 R C -0.962 175.397 176.300 0.097 0.000 1.067 234 R CA -1.125 55.027 56.100 0.088 0.000 1.003 234 R CB 2.226 32.573 30.300 0.080 0.000 1.192 234 R HN 0.665 nan 8.270 nan 0.000 0.488 235 K N 0.261 120.585 120.400 -0.127 0.000 2.532 235 K HA 0.453 4.778 4.320 0.008 0.000 0.265 235 K C -1.163 175.253 176.600 -0.306 0.000 0.948 235 K CA -0.766 55.437 56.287 -0.140 0.000 0.842 235 K CB 1.584 34.072 32.500 -0.021 0.000 1.392 235 K HN 0.395 nan 8.250 nan 0.000 0.436 236 I N 2.794 123.207 120.570 -0.261 0.000 2.312 236 I HA 0.202 4.376 4.170 0.008 0.000 0.290 236 I C -0.196 175.861 176.117 -0.100 0.000 1.008 236 I CA -1.251 59.928 61.300 -0.201 0.000 1.226 236 I CB 1.714 39.608 38.000 -0.177 0.000 1.371 236 I HN 0.451 nan 8.210 nan 0.000 0.468 237 V N 6.036 125.893 119.914 -0.096 0.000 2.439 237 V HA 0.602 4.726 4.120 0.008 0.000 0.282 237 V C -0.137 175.910 176.094 -0.078 0.000 1.039 237 V CA -0.580 61.678 62.300 -0.071 0.000 0.913 237 V CB 1.155 32.940 31.823 -0.063 0.000 0.983 237 V HN 0.550 nan 8.190 nan 0.000 0.460 238 L N 2.113 123.300 121.223 -0.059 0.000 2.260 238 L HA 0.673 5.017 4.340 0.008 0.000 0.265 238 L C -0.207 176.637 176.870 -0.042 0.000 1.015 238 L CA -1.069 53.735 54.840 -0.060 0.000 0.826 238 L CB 1.271 43.305 42.059 -0.042 0.000 1.373 238 L HN 0.533 nan 8.230 nan 0.000 0.450 239 D N 0.233 120.622 120.400 -0.019 0.000 2.368 239 D HA 0.188 4.833 4.640 0.008 0.000 0.240 239 D C -2.374 173.922 176.300 -0.006 0.000 1.169 239 D CA -0.551 53.453 54.000 0.005 0.000 0.906 239 D CB 0.013 40.842 40.800 0.049 0.000 1.187 239 D HN 0.201 nan 8.370 nan 0.000 0.435 240 P HA 0.030 nan 4.420 nan 0.000 0.264 240 P C -0.068 177.223 177.300 -0.015 0.000 1.193 240 P CA 0.257 63.350 63.100 -0.012 0.000 0.763 240 P CB 0.722 32.414 31.700 -0.013 0.000 0.810 241 S N 1.076 116.766 115.700 -0.016 0.000 3.635 241 S HA -0.118 4.356 4.470 0.008 0.000 0.328 241 S C 0.627 175.216 174.600 -0.019 0.000 1.135 241 S CA 0.757 58.946 58.200 -0.020 0.000 0.942 241 S CB -1.595 61.589 63.200 -0.026 0.000 0.930 241 S HN 0.879 nan 8.310 nan 0.000 0.512 242 G N 0.271 109.063 108.800 -0.013 0.000 2.417 242 G HA2 0.651 4.615 3.960 0.008 0.000 0.334 242 G HA3 0.651 4.615 3.960 0.008 0.000 0.334 242 G C -0.588 174.304 174.900 -0.014 0.000 1.150 242 G CA 0.268 45.364 45.100 -0.006 0.000 0.923 242 G HN 0.486 nan 8.290 nan 0.000 0.485 243 S N 0.078 115.770 115.700 -0.013 0.000 2.648 243 S HA 0.805 5.280 4.470 0.008 0.000 0.305 243 S C -0.458 174.106 174.600 -0.060 0.000 1.094 243 S CA -0.769 57.412 58.200 -0.033 0.000 0.983 243 S CB 1.415 64.600 63.200 -0.024 0.000 1.101 243 S HN 0.722 nan 8.310 nan 0.000 0.514 244 M N 3.335 122.881 119.600 -0.091 0.000 2.324 244 M HA 0.526 5.010 4.480 0.008 0.000 0.288 244 M C -2.105 174.087 176.300 -0.181 0.000 1.097 244 M CA -0.508 54.715 55.300 -0.128 0.000 0.928 244 M CB 1.568 34.109 32.600 -0.098 0.000 1.648 244 M HN 0.574 nan 8.290 nan 0.000 0.460 245 N N 5.240 123.815 118.700 -0.207 0.000 2.372 245 N HA 0.620 5.365 4.740 0.008 0.000 0.291 245 N C -1.489 173.831 175.510 -0.316 0.000 1.024 245 N CA -0.187 52.690 53.050 -0.289 0.000 0.873 245 N CB 1.914 40.300 38.487 -0.168 0.000 1.206 245 N HN 0.675 nan 8.380 nan 0.000 0.486 246 I N 2.590 122.868 120.570 -0.487 0.000 2.389 246 I HA 0.291 4.466 4.170 0.008 0.000 0.288 246 I C -0.931 175.048 176.117 -0.230 0.000 0.999 246 I CA -0.781 60.379 61.300 -0.233 0.000 1.129 246 I CB 0.888 38.791 38.000 -0.161 0.000 1.288 246 I HN 0.335 nan 8.210 nan 0.000 0.444 247 Y N 6.443 126.882 120.300 0.231 0.000 2.342 247 Y HA 0.498 5.053 4.550 0.007 0.000 0.338 247 Y C -0.220 175.827 175.900 0.245 0.000 0.965 247 Y CA -0.768 57.472 58.100 0.234 0.000 1.159 247 Y CB 0.965 39.548 38.460 0.205 0.000 1.157 247 Y HN 0.322 nan 8.280 nan 0.000 0.486 248 L N 5.290 126.710 121.223 0.328 0.000 2.264 248 L HA 0.511 4.855 4.340 0.008 0.000 0.287 248 L C -0.790 176.211 176.870 0.218 0.000 1.039 248 L CA -0.797 54.183 54.840 0.233 0.000 0.829 248 L CB 0.548 42.682 42.059 0.126 0.000 1.211 248 L HN 0.364 nan 8.230 nan 0.000 0.427 249 V N 5.457 125.517 119.914 0.244 0.000 2.357 249 V HA 0.414 4.539 4.120 0.008 0.000 0.284 249 V C 0.034 176.287 176.094 0.266 0.000 1.018 249 V CA -0.393 62.072 62.300 0.275 0.000 0.841 249 V CB 1.788 33.786 31.823 0.293 0.000 0.991 249 V HN 0.527 nan 8.190 nan 0.000 0.437 250 L N 3.877 125.237 121.223 0.228 0.000 2.294 250 L HA 0.497 4.842 4.340 0.008 0.000 0.283 250 L C -0.245 176.681 176.870 0.093 0.000 1.015 250 L CA -0.566 54.360 54.840 0.144 0.000 0.831 250 L CB 1.636 43.683 42.059 -0.020 0.000 1.217 250 L HN 0.557 nan 8.230 nan 0.000 0.420 251 D N 2.801 123.167 120.400 -0.056 0.000 2.359 251 D HA 0.147 4.792 4.640 0.008 0.000 0.250 251 D C 1.001 177.208 176.300 -0.155 0.000 1.264 251 D CA -0.071 53.639 54.000 -0.483 0.000 0.911 251 D CB 1.514 42.121 40.800 -0.322 0.000 1.056 251 D HN 0.639 nan 8.370 nan 0.000 0.499 252 G N 2.034 110.796 108.800 -0.064 0.000 3.337 252 G HA2 -0.057 3.907 3.960 0.008 0.000 0.246 252 G HA3 -0.057 3.907 3.960 0.008 0.000 0.246 252 G C 1.318 176.115 174.900 -0.172 0.000 1.131 252 G CA 0.269 45.336 45.100 -0.055 0.000 0.773 252 G HN 0.484 nan 8.290 nan 0.000 0.544 253 S N -0.578 115.070 115.700 -0.087 0.000 2.442 253 S HA -0.072 4.402 4.470 0.008 0.000 0.236 253 S C 1.237 175.817 174.600 -0.034 0.000 1.007 253 S CA 1.419 59.618 58.200 -0.001 0.000 0.965 253 S CB 0.228 63.422 63.200 -0.009 0.000 0.773 253 S HN 0.315 nan 8.310 nan 0.000 0.504 254 D N 1.051 121.387 120.400 -0.107 0.000 3.221 254 D HA 0.204 4.848 4.640 0.008 0.000 0.207 254 D C 1.817 178.012 176.300 -0.175 0.000 1.292 254 D CA 1.142 55.087 54.000 -0.092 0.000 1.410 254 D CB 0.249 41.029 40.800 -0.034 0.000 0.956 254 D HN 0.349 nan 8.370 nan 0.000 0.177 255 S N -0.412 115.197 115.700 -0.151 0.000 2.511 255 S HA 0.188 4.662 4.470 0.008 0.000 0.214 255 S C 2.162 176.619 174.600 -0.238 0.000 0.997 255 S CA -0.155 57.939 58.200 -0.176 0.000 0.908 255 S CB -0.150 62.993 63.200 -0.094 0.000 0.803 255 S HN 0.391 nan 8.310 nan 0.000 0.504 256 I N 2.153 122.586 120.570 -0.229 0.000 2.493 256 I HA -0.030 4.144 4.170 0.008 0.000 0.254 256 I C 2.542 178.375 176.117 -0.473 0.000 1.160 256 I CA 1.208 62.388 61.300 -0.201 0.000 1.445 256 I CB -0.674 37.298 38.000 -0.048 0.000 1.086 256 I HN 0.529 nan 8.210 nan 0.000 0.433 257 G N 0.876 109.134 108.800 -0.902 0.000 2.744 257 G HA2 0.155 4.120 3.960 0.008 0.000 0.211 257 G HA3 0.155 4.120 3.960 0.008 0.000 0.211 257 G C 0.857 175.136 174.900 -1.035 0.000 1.143 257 G CA 0.267 44.325 45.100 -1.736 0.000 0.788 257 G HN 0.403 nan 8.290 nan 0.000 0.534 258 A N 0.168 122.635 122.820 -0.588 0.000 2.565 258 A HA 0.444 4.768 4.320 0.008 0.000 0.237 258 A C 1.367 178.810 177.584 -0.236 0.000 1.053 258 A CA 0.723 52.566 52.037 -0.323 0.000 0.755 258 A CB -0.159 18.715 19.000 -0.209 0.000 0.980 258 A HN 1.008 nan 8.150 nan 0.000 0.506 259 S N 2.098 117.712 115.700 -0.144 0.000 3.550 259 S HA -0.160 4.315 4.470 0.008 0.000 0.372 259 S C 0.360 174.918 174.600 -0.070 0.000 0.966 259 S CA 0.891 59.042 58.200 -0.082 0.000 1.229 259 S CB -1.665 61.496 63.200 -0.064 0.000 0.917 259 S HN 1.136 nan 8.310 nan 0.000 0.496 260 N N -0.316 118.342 118.700 -0.069 0.000 2.705 260 N HA -0.236 4.508 4.740 0.008 0.000 0.255 260 N C 0.088 175.659 175.510 0.102 0.000 1.008 260 N CA 1.250 54.316 53.050 0.027 0.000 0.742 260 N CB -1.801 36.725 38.487 0.064 0.000 0.906 260 N HN 0.747 nan 8.380 nan 0.000 0.541 261 F N -3.091 116.795 119.950 -0.105 0.000 3.100 261 F HA -0.306 4.226 4.527 0.007 0.000 0.283 261 F C 1.814 177.530 175.800 -0.140 0.000 0.900 261 F CA 1.114 59.030 58.000 -0.139 0.000 1.010 261 F CB -2.467 36.441 39.000 -0.154 0.000 1.029 261 F HN 0.192 nan 8.300 nan 0.000 0.637 262 T N -0.642 113.909 114.554 -0.005 0.000 2.665 262 T HA -0.222 4.133 4.350 0.008 0.000 0.268 262 T C 2.235 176.905 174.700 -0.050 0.000 1.035 262 T CA 1.828 63.909 62.100 -0.033 0.000 1.151 262 T CB -0.601 68.242 68.868 -0.042 0.000 0.862 262 T HN 0.675 nan 8.240 nan 0.000 0.438 263 G N 1.030 109.798 108.800 -0.054 0.000 2.433 263 G HA2 -0.070 3.895 3.960 0.008 0.000 0.216 263 G HA3 -0.070 3.895 3.960 0.008 0.000 0.216 263 G C 1.867 176.705 174.900 -0.102 0.000 1.186 263 G CA 0.980 46.038 45.100 -0.070 0.000 0.779 263 G HN 0.591 nan 8.290 nan 0.000 0.543 264 A N 0.733 123.513 122.820 -0.067 0.000 1.940 264 A HA -0.046 4.279 4.320 0.008 0.000 0.219 264 A C 2.309 179.778 177.584 -0.192 0.000 1.176 264 A CA 2.105 54.077 52.037 -0.109 0.000 0.631 264 A CB -0.370 18.638 19.000 0.014 0.000 0.814 264 A HN 0.413 nan 8.150 nan 0.000 0.446 265 K N -0.191 120.121 120.400 -0.148 0.000 2.057 265 K HA -0.132 4.192 4.320 0.008 0.000 0.207 265 K C 2.080 178.547 176.600 -0.221 0.000 1.049 265 K CA 1.609 57.780 56.287 -0.193 0.000 0.931 265 K CB -0.155 32.256 32.500 -0.149 0.000 0.714 265 K HN 0.436 nan 8.250 nan 0.000 0.440 266 K N 0.454 120.735 120.400 -0.199 0.000 2.032 266 K HA -0.161 4.163 4.320 0.008 0.000 0.209 266 K C 2.339 178.724 176.600 -0.358 0.000 1.048 266 K CA 1.656 57.805 56.287 -0.230 0.000 0.927 266 K CB -0.307 32.080 32.500 -0.187 0.000 0.712 266 K HN 0.192 nan 8.250 nan 0.000 0.441 267 C N 1.073 120.117 119.300 -0.427 0.000 2.386 267 C HA -0.147 4.317 4.460 0.008 0.000 0.279 267 C C 2.601 177.090 174.990 -0.835 0.000 1.208 267 C CA 0.780 59.373 59.018 -0.708 0.000 1.747 267 C CB -1.023 26.264 27.740 -0.756 0.000 2.046 267 C HN 0.425 nan 8.230 nan 0.000 0.453 268 L N 0.368 121.217 121.223 -0.624 0.000 2.046 268 L HA -0.136 4.208 4.340 0.008 0.000 0.208 268 L C 2.586 179.237 176.870 -0.365 0.000 1.077 268 L CA 1.112 55.652 54.840 -0.500 0.000 0.747 268 L CB -0.935 40.899 42.059 -0.375 0.000 0.896 268 L HN 0.236 nan 8.230 nan 0.000 0.432 269 V N 0.388 120.119 119.914 -0.304 0.000 2.282 269 V HA -0.321 3.803 4.120 0.008 0.000 0.249 269 V C 2.293 178.279 176.094 -0.180 0.000 1.057 269 V CA 2.078 64.246 62.300 -0.220 0.000 1.032 269 V CB -0.656 31.063 31.823 -0.173 0.000 0.645 269 V HN 0.513 nan 8.190 nan 0.000 0.447 270 N N -0.313 118.263 118.700 -0.206 0.000 2.244 270 N HA -0.114 4.630 4.740 0.008 0.000 0.183 270 N C 1.627 177.115 175.510 -0.038 0.000 1.016 270 N CA 1.211 54.195 53.050 -0.109 0.000 0.866 270 N CB -0.401 38.016 38.487 -0.115 0.000 0.980 270 N HN 0.411 nan 8.380 nan 0.000 0.430 271 L N 1.335 122.469 121.223 -0.148 0.000 2.005 271 L HA 0.014 4.359 4.340 0.008 0.000 0.207 271 L C 1.982 178.894 176.870 0.070 0.000 1.072 271 L CA 1.289 56.132 54.840 0.006 0.000 0.744 271 L CB -0.721 41.226 42.059 -0.186 0.000 0.895 271 L HN 0.044 nan 8.230 nan 0.000 0.433 272 I N -0.242 120.307 120.570 -0.036 0.000 2.194 272 I HA -0.339 3.835 4.170 0.008 0.000 0.246 272 I C 2.597 178.739 176.117 0.041 0.000 1.093 272 I CA 1.887 63.178 61.300 -0.016 0.000 1.355 272 I CB -0.433 37.425 38.000 -0.236 0.000 1.046 272 I HN 0.490 nan 8.210 nan 0.000 0.413 273 E N 0.993 121.194 120.200 0.002 0.000 2.106 273 E HA -0.289 4.065 4.350 0.008 0.000 0.192 273 E C 2.117 178.728 176.600 0.018 0.000 0.984 273 E CA 1.218 57.622 56.400 0.007 0.000 0.806 273 E CB 0.125 29.821 29.700 -0.007 0.000 0.750 273 E HN 0.151 nan 8.360 nan 0.000 0.458 274 K N 0.358 120.793 120.400 0.057 0.000 2.025 274 K HA -0.083 4.241 4.320 0.008 0.000 0.207 274 K C 1.952 178.601 176.600 0.081 0.000 1.049 274 K CA 1.219 57.541 56.287 0.058 0.000 0.933 274 K CB -0.579 32.026 32.500 0.176 0.000 0.714 274 K HN 0.024 nan 8.250 nan 0.000 0.438 275 V N 1.016 121.060 119.914 0.216 0.000 2.407 275 V HA -0.234 3.891 4.120 0.008 0.000 0.248 275 V C 2.298 178.525 176.094 0.221 0.000 1.055 275 V CA 1.971 64.459 62.300 0.312 0.000 1.049 275 V CB -0.854 31.150 31.823 0.300 0.000 0.662 275 V HN 0.468 nan 8.190 nan 0.000 0.455 276 A N 0.572 123.466 122.820 0.123 0.000 2.015 276 A HA -0.173 4.152 4.320 0.008 0.000 0.219 276 A C 2.505 180.085 177.584 -0.006 0.000 1.163 276 A CA 1.814 53.896 52.037 0.075 0.000 0.646 276 A CB -0.664 18.373 19.000 0.062 0.000 0.806 276 A HN 0.697 nan 8.150 nan 0.000 0.448 277 S N -1.245 114.381 115.700 -0.124 0.000 2.440 277 S HA -0.181 4.293 4.470 0.008 0.000 0.238 277 S C 1.412 175.825 174.600 -0.312 0.000 1.010 277 S CA 1.295 59.334 58.200 -0.268 0.000 0.972 277 S CB -0.753 62.191 63.200 -0.426 0.000 0.774 277 S HN 0.572 nan 8.310 nan 0.000 0.501 278 Y N 1.857 122.169 120.300 0.020 0.000 2.490 278 Y HA 0.407 4.961 4.550 0.007 0.000 0.281 278 Y C 2.063 177.966 175.900 0.006 0.000 1.174 278 Y CA -0.561 57.543 58.100 0.008 0.000 1.295 278 Y CB -0.547 37.916 38.460 0.005 0.000 1.062 278 Y HN 0.408 nan 8.280 nan 0.000 0.522 279 G N 0.159 109.020 108.800 0.101 0.000 2.184 279 G HA2 -0.296 3.669 3.960 0.008 0.000 0.264 279 G HA3 -0.296 3.669 3.960 0.008 0.000 0.264 279 G C 0.240 175.180 174.900 0.066 0.000 0.975 279 G CA 0.276 45.416 45.100 0.067 0.000 0.642 279 G HN 0.396 nan 8.290 nan 0.000 0.536 280 V N -2.765 117.203 119.914 0.090 0.000 2.743 280 V HA 0.778 4.902 4.120 0.008 0.000 0.301 280 V C 0.394 176.520 176.094 0.053 0.000 1.057 280 V CA -0.906 61.429 62.300 0.058 0.000 1.006 280 V CB 1.709 33.562 31.823 0.050 0.000 1.024 280 V HN 0.168 nan 8.190 nan 0.000 0.473 281 K N 3.948 124.363 120.400 0.025 0.000 2.533 281 K HA 0.419 4.744 4.320 0.008 0.000 0.207 281 K C -2.584 174.002 176.600 -0.023 0.000 1.052 281 K CA -1.415 54.887 56.287 0.025 0.000 1.030 281 K CB 1.004 33.519 32.500 0.025 0.000 1.522 281 K HN 0.685 nan 8.250 nan 0.000 0.543 282 P HA 0.128 nan 4.420 nan 0.000 0.274 282 P C -0.650 176.484 177.300 -0.278 0.000 1.231 282 P CA -0.377 62.588 63.100 -0.225 0.000 0.790 282 P CB 0.885 32.357 31.700 -0.379 0.000 0.951 283 R N 1.522 121.868 120.500 -0.256 0.000 2.357 283 R HA 0.357 4.701 4.340 0.008 0.000 0.296 283 R C -0.446 175.658 176.300 -0.327 0.000 1.052 283 R CA -0.229 55.767 56.100 -0.174 0.000 0.988 283 R CB 0.273 30.520 30.300 -0.088 0.000 1.025 283 R HN 0.485 nan 8.270 nan 0.000 0.469 284 Y N -0.157 120.137 120.300 -0.011 0.000 2.387 284 Y HA 0.448 5.003 4.550 0.007 0.000 0.336 284 Y C 0.949 176.852 175.900 0.005 0.000 1.067 284 Y CA -0.453 57.634 58.100 -0.022 0.000 1.114 284 Y CB 2.203 40.692 38.460 0.048 0.000 1.208 284 Y HN 0.680 nan 8.280 nan 0.000 0.458 285 G N 2.342 111.220 108.800 0.129 0.000 2.420 285 G HA2 0.585 4.550 3.960 0.008 0.000 0.331 285 G HA3 0.585 4.550 3.960 0.008 0.000 0.331 285 G C -2.166 172.890 174.900 0.259 0.000 1.168 285 G CA -0.596 44.633 45.100 0.214 0.000 0.936 285 G HN 0.463 nan 8.290 nan 0.000 0.479 286 L N 2.278 123.654 121.223 0.255 0.000 2.406 286 L HA 0.724 5.068 4.340 0.008 0.000 0.272 286 L C -1.043 176.008 176.870 0.302 0.000 0.980 286 L CA -0.746 54.230 54.840 0.228 0.000 0.831 286 L CB 2.102 44.244 42.059 0.139 0.000 1.253 286 L HN 0.321 nan 8.230 nan 0.000 0.406 287 V N 3.276 123.361 119.914 0.286 0.000 2.577 287 V HA 0.681 4.806 4.120 0.008 0.000 0.303 287 V C -0.006 176.282 176.094 0.324 0.000 1.042 287 V CA -0.321 62.165 62.300 0.310 0.000 0.872 287 V CB 2.119 34.089 31.823 0.245 0.000 0.998 287 V HN 0.859 nan 8.190 nan 0.000 0.423 288 T N 1.812 116.603 114.554 0.394 0.000 2.925 288 T HA 0.887 5.242 4.350 0.008 0.000 0.285 288 T C -0.843 174.136 174.700 0.466 0.000 1.021 288 T CA -0.627 61.679 62.100 0.344 0.000 1.042 288 T CB 1.970 70.993 68.868 0.258 0.000 1.037 288 T HN 1.001 nan 8.240 nan 0.000 0.481 289 Y N -1.037 119.434 120.300 0.286 0.000 2.624 289 Y HA 0.837 5.392 4.550 0.008 0.000 0.334 289 Y C -0.352 175.703 175.900 0.258 0.000 1.155 289 Y CA -0.990 57.255 58.100 0.242 0.000 1.046 289 Y CB 0.905 39.466 38.460 0.169 0.000 1.316 289 Y HN 0.948 nan 8.280 nan 0.000 0.457 290 A N 0.992 123.982 122.820 0.284 0.000 2.254 290 A HA 0.337 4.662 4.320 0.008 0.000 0.186 290 A C 1.145 178.831 177.584 0.169 0.000 1.413 290 A CA 0.445 52.575 52.037 0.155 0.000 1.742 290 A CB -0.449 18.652 19.000 0.169 0.000 2.016 290 A HN 0.791 nan 8.150 nan 0.000 0.796 291 T N 0.024 114.582 114.554 0.007 0.000 2.746 291 T HA 0.078 4.432 4.350 0.008 0.000 0.267 291 T C -0.020 174.406 174.700 -0.456 0.000 1.039 291 T CA 1.725 63.660 62.100 -0.275 0.000 1.142 291 T CB -0.424 68.175 68.868 -0.447 0.000 0.866 291 T HN 0.381 nan 8.240 nan 0.000 0.444 292 Y N 0.302 120.684 120.300 0.136 0.000 2.570 292 Y HA 0.508 5.062 4.550 0.007 0.000 0.345 292 Y C -2.572 173.423 175.900 0.158 0.000 1.014 292 Y CA -3.287 54.879 58.100 0.109 0.000 1.063 292 Y CB 1.197 39.689 38.460 0.055 0.000 1.272 292 Y HN -0.164 nan 8.280 nan 0.000 0.477 293 P HA 0.331 nan 4.420 nan 0.000 0.284 293 P C -1.356 176.020 177.300 0.126 0.000 1.258 293 P CA -0.822 62.414 63.100 0.226 0.000 0.824 293 P CB 1.804 33.582 31.700 0.129 0.000 1.038 294 K N 2.422 122.878 120.400 0.093 0.000 2.413 294 K HA 0.483 4.808 4.320 0.008 0.000 0.257 294 K C -0.992 175.506 176.600 -0.170 0.000 0.946 294 K CA -0.505 55.698 56.287 -0.140 0.000 0.823 294 K CB 0.286 32.613 32.500 -0.288 0.000 1.109 294 K HN 0.327 nan 8.250 nan 0.000 0.427 295 I N 5.770 126.229 120.570 -0.186 0.000 2.301 295 I HA 0.187 4.361 4.170 0.008 0.000 0.292 295 I C -0.010 176.013 176.117 -0.157 0.000 1.046 295 I CA -0.414 60.849 61.300 -0.062 0.000 1.282 295 I CB 0.699 38.712 38.000 0.021 0.000 1.409 295 I HN 0.787 nan 8.210 nan 0.000 0.484 296 W N 4.820 126.150 121.300 0.050 0.000 2.588 296 W HA 0.203 4.867 4.660 0.008 0.000 0.277 296 W C 0.254 176.800 176.519 0.046 0.000 1.221 296 W CA 0.183 57.541 57.345 0.021 0.000 1.355 296 W CB 0.124 29.563 29.460 -0.034 0.000 1.083 296 W HN 0.136 nan 8.180 nan 0.000 0.581 297 V N 0.984 121.081 119.914 0.305 0.000 2.760 297 V HA 0.320 4.444 4.120 0.008 0.000 0.309 297 V C -0.497 175.751 176.094 0.256 0.000 1.077 297 V CA -1.564 60.907 62.300 0.283 0.000 0.910 297 V CB 2.052 34.041 31.823 0.276 0.000 1.008 297 V HN -0.218 nan 8.190 nan 0.000 0.424 298 K N 2.206 122.752 120.400 0.244 0.000 2.244 298 K HA 0.486 4.811 4.320 0.008 0.000 0.260 298 K C 0.890 177.600 176.600 0.184 0.000 0.951 298 K CA -0.535 55.872 56.287 0.200 0.000 0.826 298 K CB 2.113 34.708 32.500 0.159 0.000 1.108 298 K HN 0.565 nan 8.250 nan 0.000 0.433 299 V N 0.419 120.436 119.914 0.172 0.000 2.720 299 V HA -0.190 3.935 4.120 0.008 0.000 0.256 299 V C 1.643 177.797 176.094 0.100 0.000 1.082 299 V CA 2.001 64.369 62.300 0.114 0.000 1.101 299 V CB -0.723 31.148 31.823 0.081 0.000 0.693 299 V HN 0.773 nan 8.190 nan 0.000 0.479 300 S N -0.811 114.956 115.700 0.112 0.000 2.562 300 S HA 0.050 4.524 4.470 0.008 0.000 0.221 300 S C 0.760 175.391 174.600 0.051 0.000 0.975 300 S CA -0.084 58.168 58.200 0.087 0.000 0.918 300 S CB -0.671 62.587 63.200 0.096 0.000 0.772 300 S HN 0.765 nan 8.310 nan 0.000 0.531 301 E N 0.747 120.979 120.200 0.052 0.000 2.413 301 E HA 0.291 4.646 4.350 0.008 0.000 0.263 301 E C 1.292 177.844 176.600 -0.080 0.000 1.015 301 E CA 0.174 56.574 56.400 -0.000 0.000 0.916 301 E CB 0.723 30.441 29.700 0.030 0.000 0.947 301 E HN 0.449 nan 8.360 nan 0.000 0.440 302 A N 4.080 126.826 122.820 -0.123 0.000 1.986 302 A HA -0.207 4.118 4.320 0.008 0.000 0.220 302 A C 1.270 178.693 177.584 -0.268 0.000 1.171 302 A CA 1.615 53.558 52.037 -0.158 0.000 0.640 302 A CB -0.002 18.913 19.000 -0.143 0.000 0.811 302 A HN 0.578 nan 8.150 nan 0.000 0.451 303 D N -0.875 119.222 120.400 -0.505 0.000 2.369 303 D HA 0.022 4.667 4.640 0.008 0.000 0.211 303 D C 1.879 177.865 176.300 -0.523 0.000 1.077 303 D CA 0.891 54.410 54.000 -0.802 0.000 0.842 303 D CB 0.126 39.815 40.800 -1.852 0.000 0.947 303 D HN 0.577 nan 8.370 nan 0.000 0.509 304 S N 0.220 115.794 115.700 -0.209 0.000 2.507 304 S HA -0.114 4.360 4.470 0.008 0.000 0.235 304 S C 1.787 176.495 174.600 0.181 0.000 0.988 304 S CA 0.907 59.181 58.200 0.124 0.000 0.944 304 S CB -0.212 63.075 63.200 0.144 0.000 0.762 304 S HN 0.124 nan 8.310 nan 0.000 0.526 305 S N 0.483 116.225 115.700 0.069 0.000 2.540 305 S HA 0.229 4.703 4.470 0.008 0.000 0.218 305 S C 0.374 175.047 174.600 0.122 0.000 0.977 305 S CA -0.561 57.693 58.200 0.090 0.000 0.918 305 S CB -0.483 62.726 63.200 0.015 0.000 0.806 305 S HN 0.440 nan 8.310 nan 0.000 0.496 306 N N 2.077 120.850 118.700 0.121 0.000 2.439 306 N HA 0.442 5.187 4.740 0.008 0.000 0.243 306 N C 1.051 176.702 175.510 0.234 0.000 1.088 306 N CA 0.309 53.445 53.050 0.144 0.000 0.940 306 N CB 1.150 39.688 38.487 0.085 0.000 1.180 306 N HN 0.261 nan 8.380 nan 0.000 0.505 307 A N 3.456 126.386 122.820 0.183 0.000 1.940 307 A HA -0.200 4.125 4.320 0.008 0.000 0.219 307 A C 1.765 179.392 177.584 0.072 0.000 1.176 307 A CA 1.796 53.913 52.037 0.133 0.000 0.631 307 A CB -0.395 18.675 19.000 0.118 0.000 0.814 307 A HN 0.704 nan 8.150 nan 0.000 0.446 308 D N -2.254 118.206 120.400 0.100 0.000 2.123 308 D HA -0.127 4.518 4.640 0.008 0.000 0.200 308 D C 1.574 177.937 176.300 0.106 0.000 0.976 308 D CA 1.187 55.230 54.000 0.073 0.000 0.831 308 D CB -0.213 40.633 40.800 0.076 0.000 0.974 308 D HN 0.655 nan 8.370 nan 0.000 0.469 309 W N 0.340 121.631 121.300 -0.014 0.000 2.355 309 W HA -0.173 4.492 4.660 0.007 0.000 0.309 309 W C 1.925 178.429 176.519 -0.025 0.000 1.206 309 W CA 1.133 58.473 57.345 -0.008 0.000 1.284 309 W CB -0.345 29.122 29.460 0.013 0.000 1.145 309 W HN -0.188 nan 8.180 nan 0.000 0.502 310 V N 0.329 120.386 119.914 0.238 0.000 2.343 310 V HA -0.333 3.791 4.120 0.008 0.000 0.247 310 V C 2.235 178.200 176.094 -0.214 0.000 1.051 310 V CA 2.397 64.695 62.300 -0.003 0.000 1.036 310 V CB -1.421 30.431 31.823 0.047 0.000 0.654 310 V HN 0.216 nan 8.190 nan 0.000 0.451 311 T N -0.380 114.071 114.554 -0.172 0.000 2.720 311 T HA -0.219 4.135 4.350 0.008 0.000 0.268 311 T C 1.947 176.521 174.700 -0.209 0.000 1.037 311 T CA 1.602 63.586 62.100 -0.193 0.000 1.144 311 T CB -0.208 68.580 68.868 -0.134 0.000 0.864 311 T HN 0.483 nan 8.240 nan 0.000 0.444 312 K N 0.606 120.879 120.400 -0.212 0.000 2.097 312 K HA -0.056 4.269 4.320 0.008 0.000 0.206 312 K C 2.686 179.097 176.600 -0.315 0.000 1.049 312 K CA 0.899 57.045 56.287 -0.235 0.000 0.933 312 K CB -0.038 32.335 32.500 -0.213 0.000 0.717 312 K HN 0.297 nan 8.250 nan 0.000 0.442 313 Q N 0.679 120.210 119.800 -0.448 0.000 2.046 313 Q HA -0.148 4.196 4.340 0.008 0.000 0.200 313 Q C 2.312 178.102 176.000 -0.350 0.000 0.975 313 Q CA 1.012 56.544 55.803 -0.452 0.000 0.836 313 Q CB -0.373 27.986 28.738 -0.631 0.000 0.896 313 Q HN 0.249 nan 8.270 nan 0.000 0.428 314 L N 1.707 122.728 121.223 -0.336 0.000 2.012 314 L HA -0.153 4.192 4.340 0.008 0.000 0.210 314 L C 1.591 178.253 176.870 -0.346 0.000 1.073 314 L CA 1.794 56.422 54.840 -0.354 0.000 0.748 314 L CB -0.763 41.110 42.059 -0.309 0.000 0.891 314 L HN 0.082 nan 8.230 nan 0.000 0.431 315 N N -0.103 118.435 118.700 -0.271 0.000 2.443 315 N HA -0.165 4.579 4.740 0.008 0.000 0.184 315 N C 1.540 176.925 175.510 -0.208 0.000 1.037 315 N CA 1.010 53.932 53.050 -0.213 0.000 0.896 315 N CB 0.005 38.393 38.487 -0.165 0.000 0.959 315 N HN 0.530 nan 8.380 nan 0.000 0.442 316 E N 0.091 120.140 120.200 -0.253 0.000 2.452 316 E HA 0.132 4.486 4.350 0.008 0.000 0.197 316 E C 0.674 177.087 176.600 -0.313 0.000 1.022 316 E CA -0.267 56.004 56.400 -0.216 0.000 0.890 316 E CB 0.218 29.817 29.700 -0.169 0.000 0.918 316 E HN 0.445 nan 8.360 nan 0.000 0.496 317 I N 0.550 120.777 120.570 -0.572 0.000 2.892 317 I HA 0.087 4.262 4.170 0.008 0.000 0.287 317 I C -0.023 175.813 176.117 -0.468 0.000 1.205 317 I CA -0.150 60.496 61.300 -1.089 0.000 1.409 317 I CB 0.507 37.511 38.000 -1.659 0.000 1.367 317 I HN -0.026 nan 8.210 nan 0.000 0.597 318 N N 3.763 122.313 118.700 -0.249 0.000 2.732 318 N HA 0.353 5.097 4.740 0.008 0.000 0.259 318 N C -2.023 173.802 175.510 0.525 0.000 1.402 318 N CA -0.872 52.306 53.050 0.213 0.000 0.829 318 N CB 2.045 40.630 38.487 0.163 0.000 1.495 318 N HN 0.792 nan 8.380 nan 0.000 0.511 319 Y N -0.021 120.433 120.300 0.257 0.000 2.391 319 Y HA 0.372 4.926 4.550 0.008 0.000 0.341 319 Y C -0.527 175.435 175.900 0.104 0.000 0.965 319 Y CA -0.483 57.736 58.100 0.198 0.000 1.067 319 Y CB 1.930 40.341 38.460 -0.082 0.000 1.199 319 Y HN 0.746 nan 8.280 nan 0.000 0.450 328 T N 1.710 116.314 114.554 0.082 0.000 2.963 328 T HA 0.308 4.663 4.350 0.008 0.000 0.343 328 T C -0.033 174.791 174.700 0.206 0.000 1.146 328 T CA -0.570 61.626 62.100 0.160 0.000 1.016 328 T CB 0.584 69.546 68.868 0.157 0.000 1.046 328 T HN 0.407 nan 8.240 nan 0.000 0.496 329 N N 2.350 121.198 118.700 0.246 0.000 2.918 329 N HA 0.127 4.871 4.740 0.008 0.000 0.247 329 N C 1.085 176.625 175.510 0.050 0.000 1.117 329 N CA -0.141 52.987 53.050 0.129 0.000 1.005 329 N CB 0.793 39.297 38.487 0.029 0.000 1.297 329 N HN 0.382 nan 8.380 nan 0.000 0.513 330 T N 1.357 115.935 114.554 0.039 0.000 2.857 330 T HA -0.120 4.235 4.350 0.008 0.000 0.266 330 T C 1.761 176.324 174.700 -0.230 0.000 1.048 330 T CA 0.946 62.931 62.100 -0.192 0.000 1.139 330 T CB 0.247 69.128 68.868 0.022 0.000 0.874 330 T HN 0.492 nan 8.240 nan 0.000 0.455 331 K N 1.391 121.726 120.400 -0.110 0.000 2.044 331 K HA -0.185 4.140 4.320 0.008 0.000 0.210 331 K C 2.207 178.735 176.600 -0.120 0.000 1.049 331 K CA 1.517 57.744 56.287 -0.100 0.000 0.927 331 K CB -0.065 32.397 32.500 -0.064 0.000 0.713 331 K HN 0.195 nan 8.250 nan 0.000 0.443 332 K N -0.254 120.082 120.400 -0.106 0.000 2.147 332 K HA -0.105 4.219 4.320 0.008 0.000 0.205 332 K C 2.131 178.656 176.600 -0.125 0.000 1.049 332 K CA 1.074 57.317 56.287 -0.074 0.000 0.936 332 K CB -0.109 32.392 32.500 0.002 0.000 0.722 332 K HN 0.269 nan 8.250 nan 0.000 0.446 333 A N 1.296 123.933 122.820 -0.305 0.000 1.902 333 A HA -0.116 4.208 4.320 0.008 0.000 0.217 333 A C 2.033 179.501 177.584 -0.194 0.000 1.181 333 A CA 1.207 53.016 52.037 -0.380 0.000 0.623 333 A CB -0.494 17.841 19.000 -1.109 0.000 0.818 333 A HN 0.160 nan 8.150 nan 0.000 0.443 334 L N -1.109 120.003 121.223 -0.185 0.000 2.240 334 L HA -0.146 4.199 4.340 0.008 0.000 0.211 334 L C 2.686 179.521 176.870 -0.058 0.000 1.106 334 L CA 0.887 55.665 54.840 -0.103 0.000 0.793 334 L CB -0.513 41.488 42.059 -0.097 0.000 0.927 334 L HN 0.475 nan 8.230 nan 0.000 0.446 335 Q N 0.030 119.792 119.800 -0.064 0.000 2.167 335 Q HA -0.139 4.205 4.340 0.008 0.000 0.202 335 Q C 2.451 178.469 176.000 0.030 0.000 0.970 335 Q CA 1.368 57.154 55.803 -0.027 0.000 0.855 335 Q CB -0.139 28.561 28.738 -0.062 0.000 0.911 335 Q HN 0.549 nan 8.270 nan 0.000 0.438 336 A N 0.184 123.011 122.820 0.012 0.000 1.930 336 A HA -0.123 4.201 4.320 0.008 0.000 0.217 336 A C 2.266 179.881 177.584 0.051 0.000 1.175 336 A CA 1.151 53.212 52.037 0.040 0.000 0.627 336 A CB -0.502 18.525 19.000 0.045 0.000 0.815 336 A HN 0.202 nan 8.150 nan 0.000 0.443 337 V N -1.527 118.395 119.914 0.013 0.000 2.307 337 V HA -0.266 3.858 4.120 0.008 0.000 0.245 337 V C 2.317 178.337 176.094 -0.123 0.000 1.045 337 V CA 1.992 64.247 62.300 -0.075 0.000 1.024 337 V CB -1.073 30.644 31.823 -0.177 0.000 0.651 337 V HN 0.704 nan 8.190 nan 0.000 0.449 338 Y N 2.032 122.219 120.300 -0.188 0.000 2.151 338 Y HA -0.335 4.219 4.550 0.007 0.000 0.284 338 Y C 2.845 178.654 175.900 -0.153 0.000 1.166 338 Y CA 2.164 60.147 58.100 -0.196 0.000 1.163 338 Y CB -0.289 38.069 38.460 -0.171 0.000 0.974 338 Y HN 0.393 nan 8.280 nan 0.000 0.511 339 S N -0.614 115.118 115.700 0.054 0.000 2.423 339 S HA -0.213 4.261 4.470 0.008 0.000 0.231 339 S C 1.935 176.518 174.600 -0.028 0.000 1.014 339 S CA 1.310 59.519 58.200 0.015 0.000 0.965 339 S CB -0.587 62.656 63.200 0.071 0.000 0.785 339 S HN 0.597 nan 8.310 nan 0.000 0.495 340 M N 0.233 119.842 119.600 0.015 0.000 2.254 340 M HA 0.121 4.605 4.480 0.008 0.000 0.265 340 M C 2.367 178.717 176.300 0.084 0.000 1.066 340 M CA 1.367 56.728 55.300 0.102 0.000 1.123 340 M CB -0.327 32.420 32.600 0.246 0.000 1.388 340 M HN 0.379 nan 8.290 nan 0.000 0.425 341 M N -0.604 118.947 119.600 -0.081 0.000 2.193 341 M HA -0.035 4.450 4.480 0.008 0.000 0.265 341 M C 1.327 177.439 176.300 -0.313 0.000 1.071 341 M CA 0.538 55.746 55.300 -0.153 0.000 1.140 341 M CB -0.072 32.270 32.600 -0.430 0.000 1.369 341 M HN 0.214 nan 8.290 nan 0.000 0.423 342 S N -0.024 115.328 115.700 -0.580 0.000 2.598 342 S HA 0.175 4.649 4.470 0.008 0.000 0.256 342 S C -0.639 173.764 174.600 -0.330 0.000 1.350 342 S CA -0.510 57.200 58.200 -0.816 0.000 0.984 342 S CB 0.272 63.002 63.200 -0.784 0.000 0.930 342 S HN 0.450 nan 8.310 nan 0.000 0.577 348 P HA 0.608 nan 4.420 nan 0.000 0.290 348 P C -2.789 174.176 177.300 -0.559 0.000 1.275 348 P CA -1.344 61.216 63.100 -0.899 0.000 0.841 348 P CB 0.239 31.049 31.700 -1.484 0.000 1.042 349 P HA 0.199 nan 4.420 nan 0.000 0.274 349 P C -0.318 176.954 177.300 -0.046 0.000 1.237 349 P CA -0.301 62.681 63.100 -0.196 0.000 0.793 349 P CB 0.633 32.257 31.700 -0.127 0.000 0.977 350 E N 0.496 120.685 120.200 -0.020 0.000 2.415 350 E HA 0.294 4.648 4.350 0.008 0.000 0.263 350 E C 1.132 177.714 176.600 -0.031 0.000 0.995 350 E CA 1.240 57.634 56.400 -0.011 0.000 0.915 350 E CB -0.769 28.916 29.700 -0.026 0.000 0.951 350 E HN 0.776 nan 8.360 nan 0.000 0.449 351 G N 4.890 113.630 108.800 -0.101 0.000 2.147 351 G HA2 -0.246 3.719 3.960 0.008 0.000 0.244 351 G HA3 -0.246 3.719 3.960 0.008 0.000 0.244 351 G C 0.738 175.564 174.900 -0.124 0.000 1.005 351 G CA 0.488 45.502 45.100 -0.143 0.000 0.713 351 G HN 0.725 nan 8.290 nan 0.000 0.515 352 W N 1.228 122.400 121.300 -0.212 0.000 2.388 352 W HA -0.069 4.595 4.660 0.008 0.000 0.294 352 W C 1.268 177.748 176.519 -0.065 0.000 1.212 352 W CA 1.291 58.488 57.345 -0.247 0.000 1.271 352 W CB -0.898 28.083 29.460 -0.799 0.000 1.126 352 W HN 0.487 nan 8.180 nan 0.000 0.535 353 N N 1.030 119.081 118.700 -1.083 0.000 2.383 353 N HA -0.027 4.717 4.740 0.008 0.000 0.192 353 N C 1.363 176.504 175.510 -0.616 0.000 1.141 353 N CA 0.104 52.491 53.050 -1.104 0.000 0.851 353 N CB -0.699 36.731 38.487 -1.761 0.000 0.976 353 N HN 0.294 nan 8.380 nan 0.000 0.465 354 R N -0.686 119.635 120.500 -0.299 0.000 2.308 354 R HA 0.177 4.522 4.340 0.008 0.000 0.202 354 R C -0.207 176.164 176.300 0.118 0.000 0.898 354 R CA 0.213 56.279 56.100 -0.055 0.000 1.046 354 R CB 0.449 30.702 30.300 -0.079 0.000 1.026 354 R HN 0.089 nan 8.270 nan 0.000 0.512 355 T N 2.629 117.240 114.554 0.095 0.000 2.780 355 T HA 0.186 4.541 4.350 0.008 0.000 0.294 355 T C -0.040 174.725 174.700 0.107 0.000 0.949 355 T CA -0.414 61.711 62.100 0.041 0.000 1.074 355 T CB 1.002 69.853 68.868 -0.029 0.000 0.910 355 T HN 0.263 nan 8.240 nan 0.000 0.501 356 R N 2.332 122.840 120.500 0.013 0.000 2.404 356 R HA 0.524 4.868 4.340 0.008 0.000 0.291 356 R C -1.229 174.993 176.300 -0.129 0.000 1.025 356 R CA -0.722 55.401 56.100 0.038 0.000 0.991 356 R CB 0.553 30.822 30.300 -0.051 0.000 1.053 356 R HN 0.617 nan 8.270 nan 0.000 0.479 357 H N 1.132 120.357 119.070 0.258 0.000 2.505 357 H HA 0.384 4.945 4.556 0.008 0.000 0.338 357 H C -0.940 174.577 175.328 0.315 0.000 1.057 357 H CA -0.767 55.481 56.048 0.333 0.000 1.202 357 H CB 2.252 32.243 29.762 0.381 0.000 1.466 357 H HN 0.302 nan 8.280 nan 0.000 0.499 358 V N 5.380 125.563 119.914 0.448 0.000 2.378 358 V HA 0.277 4.401 4.120 0.008 0.000 0.288 358 V C 0.006 176.432 176.094 0.553 0.000 1.016 358 V CA -0.581 61.992 62.300 0.455 0.000 0.840 358 V CB 0.988 33.044 31.823 0.389 0.000 0.994 358 V HN 0.670 nan 8.190 nan 0.000 0.431 359 I N 5.949 126.819 120.570 0.500 0.000 2.331 359 I HA 0.481 4.656 4.170 0.008 0.000 0.292 359 I C -0.563 175.861 176.117 0.511 0.000 0.998 359 I CA -0.323 61.252 61.300 0.460 0.000 1.267 359 I CB 1.519 39.684 38.000 0.275 0.000 1.386 359 I HN 0.439 nan 8.210 nan 0.000 0.476 360 I N 7.150 128.011 120.570 0.486 0.000 2.410 360 I HA 0.287 4.462 4.170 0.008 0.000 0.286 360 I C -0.838 175.526 176.117 0.412 0.000 1.009 360 I CA -0.514 61.099 61.300 0.521 0.000 1.111 360 I CB 1.794 40.084 38.000 0.484 0.000 1.262 360 I HN 0.342 nan 8.210 nan 0.000 0.443 361 L N 7.997 129.476 121.223 0.426 0.000 2.313 361 L HA 0.642 4.986 4.340 0.008 0.000 0.283 361 L C -0.929 176.168 176.870 0.379 0.000 1.013 361 L CA -0.304 54.747 54.840 0.351 0.000 0.816 361 L CB 1.384 43.618 42.059 0.291 0.000 1.236 361 L HN 0.527 nan 8.230 nan 0.000 0.419 362 M N 4.467 124.240 119.600 0.289 0.000 2.227 362 M HA 0.552 5.036 4.480 0.008 0.000 0.335 362 M C -0.445 175.966 176.300 0.184 0.000 1.053 362 M CA -0.223 55.224 55.300 0.245 0.000 0.973 362 M CB 2.013 34.690 32.600 0.129 0.000 1.623 362 M HN 0.702 nan 8.290 nan 0.000 0.434 363 T N 0.504 115.162 114.554 0.172 0.000 2.932 363 T HA 0.312 4.666 4.350 0.008 0.000 0.318 363 T C -1.092 173.668 174.700 0.101 0.000 1.265 363 T CA -0.701 61.469 62.100 0.116 0.000 1.036 363 T CB 1.066 70.009 68.868 0.125 0.000 1.209 363 T HN 0.813 nan 8.240 nan 0.000 0.484 364 D N 1.635 122.076 120.400 0.068 0.000 2.462 364 D HA 0.355 5.000 4.640 0.008 0.000 0.221 364 D C 1.028 177.381 176.300 0.089 0.000 1.173 364 D CA 0.263 54.308 54.000 0.075 0.000 0.831 364 D CB 0.436 41.265 40.800 0.049 0.000 1.001 364 D HN 0.675 nan 8.370 nan 0.000 0.499 365 G N 0.145 108.995 108.800 0.083 0.000 2.938 365 G HA2 0.191 4.155 3.960 0.008 0.000 0.144 365 G HA3 0.191 4.155 3.960 0.008 0.000 0.144 365 G C 0.182 175.060 174.900 -0.036 0.000 1.366 365 G CA 0.061 45.238 45.100 0.128 0.000 0.852 365 G HN 0.271 nan 8.290 nan 0.000 0.638 366 L N 1.305 122.545 121.223 0.027 0.000 3.717 366 L HA -0.155 4.189 4.340 0.008 0.000 0.414 366 L C -0.591 176.211 176.870 -0.114 0.000 1.228 366 L CA 0.386 55.227 54.840 0.001 0.000 0.918 366 L CB -1.978 40.082 42.059 0.002 0.000 1.865 366 L HN 0.569 nan 8.230 nan 0.000 0.922 367 H N 0.780 119.883 119.070 0.056 0.000 3.008 367 H HA 0.351 4.911 4.556 0.007 0.000 0.268 367 H C 0.612 175.969 175.328 0.049 0.000 1.323 367 H CA -0.445 55.628 56.048 0.042 0.000 1.401 367 H CB 0.069 29.849 29.762 0.030 0.000 1.556 367 H HN 0.274 nan 8.280 nan 0.000 0.502 368 N N 3.898 122.663 118.700 0.108 0.000 2.513 368 N HA 0.083 4.827 4.740 0.008 0.000 0.268 368 N C 0.139 175.693 175.510 0.073 0.000 1.180 368 N CA 0.033 53.137 53.050 0.089 0.000 0.948 368 N CB 0.948 39.467 38.487 0.053 0.000 1.083 368 N HN 0.609 nan 8.380 nan 0.000 0.455 369 M N -1.867 117.770 119.600 0.063 0.000 2.598 369 M HA 0.613 5.097 4.480 0.008 0.000 0.317 369 M C 0.715 177.025 176.300 0.017 0.000 1.179 369 M CA -0.553 54.767 55.300 0.034 0.000 0.936 369 M CB 1.990 34.604 32.600 0.023 0.000 1.713 369 M HN 0.519 nan 8.290 nan 0.000 0.460 370 G N 0.316 109.119 108.800 0.005 0.000 2.137 370 G HA2 0.259 4.224 3.960 0.008 0.000 0.237 370 G HA3 0.259 4.224 3.960 0.008 0.000 0.237 370 G C 0.424 175.319 174.900 -0.008 0.000 1.002 370 G CA 0.135 45.233 45.100 -0.003 0.000 0.702 370 G HN 2.367 nan 8.290 nan 0.000 0.515 371 G N -1.245 107.552 108.800 -0.005 0.000 2.539 371 G HA2 0.376 4.341 3.960 0.008 0.000 0.686 371 G HA3 0.376 4.341 3.960 0.008 0.000 0.686 371 G C -0.792 174.099 174.900 -0.016 0.000 1.258 371 G CA 0.210 45.302 45.100 -0.014 0.000 0.846 371 G HN 0.899 nan 8.290 nan 0.000 0.647 372 D N 1.552 121.940 120.400 -0.020 0.000 2.346 372 D HA 0.350 4.995 4.640 0.008 0.000 0.260 372 D C -0.343 175.936 176.300 -0.035 0.000 1.252 372 D CA -1.566 52.420 54.000 -0.023 0.000 0.895 372 D CB 1.409 42.195 40.800 -0.023 0.000 1.097 372 D HN 0.108 nan 8.370 nan 0.000 0.489 373 P HA -0.060 nan 4.420 nan 0.000 0.234 373 P C 1.736 179.005 177.300 -0.052 0.000 1.167 373 P CA 0.386 63.457 63.100 -0.049 0.000 0.763 373 P CB 0.403 32.079 31.700 -0.041 0.000 0.835 374 I N 0.759 121.302 120.570 -0.044 0.000 2.286 374 I HA -0.211 3.964 4.170 0.008 0.000 0.248 374 I C 2.532 178.616 176.117 -0.054 0.000 1.115 374 I CA 2.082 63.356 61.300 -0.045 0.000 1.392 374 I CB -0.987 36.990 38.000 -0.039 0.000 1.065 374 I HN 0.106 nan 8.210 nan 0.000 0.418 375 T N -1.721 112.796 114.554 -0.061 0.000 2.881 375 T HA -0.084 4.270 4.350 0.008 0.000 0.270 375 T C 1.735 176.375 174.700 -0.100 0.000 1.068 375 T CA 1.169 63.224 62.100 -0.075 0.000 1.131 375 T CB -0.667 68.155 68.868 -0.077 0.000 0.871 375 T HN 0.161 nan 8.240 nan 0.000 0.479 376 V N 1.765 121.616 119.914 -0.105 0.000 2.379 376 V HA -0.034 4.090 4.120 0.008 0.000 0.245 376 V C 2.775 178.820 176.094 -0.082 0.000 1.044 376 V CA 0.954 63.176 62.300 -0.130 0.000 1.036 376 V CB -0.633 31.116 31.823 -0.124 0.000 0.664 376 V HN 0.436 nan 8.190 nan 0.000 0.453 377 I N 0.491 121.025 120.570 -0.060 0.000 2.208 377 I HA -0.224 3.950 4.170 0.008 0.000 0.245 377 I C 2.316 178.411 176.117 -0.037 0.000 1.097 377 I CA 1.737 63.012 61.300 -0.041 0.000 1.363 377 I CB -1.154 36.822 38.000 -0.040 0.000 1.051 377 I HN 0.343 nan 8.210 nan 0.000 0.413 378 D N 0.871 121.241 120.400 -0.049 0.000 2.097 378 D HA -0.176 4.468 4.640 0.008 0.000 0.195 378 D C 2.147 178.422 176.300 -0.041 0.000 0.989 378 D CA 1.091 55.064 54.000 -0.045 0.000 0.827 378 D CB -0.145 40.622 40.800 -0.054 0.000 0.966 378 D HN 0.405 nan 8.370 nan 0.000 0.456 379 E N 0.050 120.209 120.200 -0.068 0.000 2.118 379 E HA -0.151 4.203 4.350 0.008 0.000 0.195 379 E C 2.335 178.989 176.600 0.090 0.000 0.992 379 E CA 0.464 56.826 56.400 -0.064 0.000 0.804 379 E CB -0.055 29.474 29.700 -0.285 0.000 0.741 379 E HN 0.332 nan 8.360 nan 0.000 0.458 380 I N 0.481 121.101 120.570 0.083 0.000 2.252 380 I HA -0.255 3.920 4.170 0.008 0.000 0.245 380 I C 2.332 178.455 176.117 0.011 0.000 1.102 380 I CA 1.073 62.408 61.300 0.059 0.000 1.385 380 I CB -0.077 37.919 38.000 -0.007 0.000 1.064 380 I HN -0.012 nan 8.210 nan 0.000 0.414 381 R N 0.330 120.839 120.500 0.015 0.000 2.189 381 R HA -0.115 4.230 4.340 0.008 0.000 0.218 381 R C 1.612 177.928 176.300 0.027 0.000 1.074 381 R CA 0.995 57.110 56.100 0.025 0.000 0.991 381 R CB -0.218 30.084 30.300 0.004 0.000 0.883 381 R HN 0.322 nan 8.270 nan 0.000 0.457 382 D N 0.685 121.096 120.400 0.018 0.000 2.084 382 D HA -0.140 4.504 4.640 0.008 0.000 0.196 382 D C 1.691 178.031 176.300 0.066 0.000 0.985 382 D CA 0.755 54.769 54.000 0.022 0.000 0.826 382 D CB -0.203 40.604 40.800 0.011 0.000 0.978 382 D HN -0.013 nan 8.370 nan 0.000 0.456 383 L N 0.431 121.668 121.223 0.023 0.000 1.990 383 L HA -0.131 4.214 4.340 0.008 0.000 0.213 383 L C 1.803 178.739 176.870 0.110 0.000 1.072 383 L CA 1.647 56.435 54.840 -0.088 0.000 0.755 383 L CB -0.384 41.475 42.059 -0.333 0.000 0.889 383 L HN 0.068 nan 8.230 nan 0.000 0.432 384 L N -1.984 119.348 121.223 0.182 0.000 2.599 384 L HA -0.034 4.310 4.340 0.008 0.000 0.230 384 L C 0.284 177.471 176.870 0.529 0.000 1.141 384 L CA -0.064 55.023 54.840 0.413 0.000 0.877 384 L CB -0.504 41.717 42.059 0.270 0.000 1.009 384 L HN 0.326 nan 8.230 nan 0.000 0.447 385 Y N 0.846 121.306 120.300 0.267 0.000 3.125 385 Y HA -0.252 4.302 4.550 0.007 0.000 0.200 385 Y C -0.148 175.842 175.900 0.150 0.000 1.373 385 Y CA -0.170 58.063 58.100 0.221 0.000 1.180 385 Y CB -1.405 37.261 38.460 0.343 0.000 1.381 385 Y HN 0.115 nan 8.280 nan 0.000 0.501 386 I N 0.916 121.528 120.570 0.071 0.000 2.377 386 I HA 0.486 4.661 4.170 0.008 0.000 0.293 386 I C 1.298 177.389 176.117 -0.042 0.000 0.987 386 I CA 0.025 61.358 61.300 0.055 0.000 1.185 386 I CB 1.554 39.616 38.000 0.103 0.000 1.341 386 I HN 0.467 nan 8.210 nan 0.000 0.455 387 G N 4.540 113.317 108.800 -0.037 0.000 2.155 387 G HA2 -0.295 3.669 3.960 0.008 0.000 0.257 387 G HA3 -0.295 3.669 3.960 0.008 0.000 0.257 387 G C 0.787 175.611 174.900 -0.127 0.000 0.983 387 G CA 0.227 45.292 45.100 -0.058 0.000 0.676 387 G HN 0.709 nan 8.290 nan 0.000 0.528 388 K N -0.513 119.732 120.400 -0.257 0.000 2.361 388 K HA 0.189 4.513 4.320 0.008 0.000 0.194 388 K C 0.034 176.491 176.600 -0.238 0.000 1.032 388 K CA 0.476 56.525 56.287 -0.396 0.000 1.048 388 K CB 0.540 32.475 32.500 -0.942 0.000 0.842 388 K HN 0.335 nan 8.250 nan 0.000 0.526 389 D N 0.014 120.357 120.400 -0.095 0.000 2.736 389 D HA 0.159 4.804 4.640 0.008 0.000 0.243 389 D C 0.481 176.806 176.300 0.042 0.000 1.304 389 D CA -0.412 53.615 54.000 0.045 0.000 0.934 389 D CB 1.089 42.012 40.800 0.206 0.000 1.382 389 D HN -0.234 nan 8.370 nan 0.000 0.571 390 R N 2.443 122.961 120.500 0.030 0.000 2.189 390 R HA -0.044 4.300 4.340 0.008 0.000 0.223 390 R C 1.342 177.664 176.300 0.036 0.000 1.092 390 R CA 0.636 56.750 56.100 0.024 0.000 0.989 390 R CB 0.228 30.535 30.300 0.012 0.000 0.876 390 R HN 0.362 nan 8.270 nan 0.000 0.457 391 K N 0.318 120.747 120.400 0.048 0.000 2.393 391 K HA -0.020 4.304 4.320 0.008 0.000 0.193 391 K C -0.027 176.609 176.600 0.061 0.000 1.026 391 K CA 0.242 56.558 56.287 0.049 0.000 1.064 391 K CB 0.256 32.783 32.500 0.045 0.000 0.833 391 K HN -0.064 nan 8.250 nan 0.000 0.521 392 N N -0.026 118.722 118.700 0.080 0.000 2.732 392 N HA 0.154 4.898 4.740 0.008 0.000 0.230 392 N C -2.612 172.970 175.510 0.120 0.000 1.487 392 N CA -1.053 52.057 53.050 0.101 0.000 0.765 392 N CB 1.214 39.764 38.487 0.107 0.000 1.384 392 N HN -0.178 nan 8.380 nan 0.000 0.530 393 P HA 0.004 nan 4.420 nan 0.000 0.223 393 P C -0.378 176.993 177.300 0.119 0.000 1.151 393 P CA 0.577 63.725 63.100 0.080 0.000 0.787 393 P CB 0.197 31.932 31.700 0.058 0.000 0.788 394 R N -1.141 119.464 120.500 0.174 0.000 3.525 394 R HA -0.179 4.165 4.340 0.008 0.000 0.276 394 R C 0.708 177.184 176.300 0.294 0.000 1.116 394 R CA 0.276 56.551 56.100 0.292 0.000 0.745 394 R CB -1.897 28.534 30.300 0.219 0.000 1.185 394 R HN 0.331 nan 8.270 nan 0.000 0.454 395 E N 0.441 120.747 120.200 0.176 0.000 2.208 395 E HA -0.127 4.228 4.350 0.008 0.000 0.193 395 E C 0.973 177.634 176.600 0.102 0.000 0.988 395 E CA 0.839 57.308 56.400 0.115 0.000 0.828 395 E CB 0.056 29.790 29.700 0.056 0.000 0.763 395 E HN 0.380 nan 8.360 nan 0.000 0.478 396 D N 0.022 120.464 120.400 0.071 0.000 2.311 396 D HA -0.150 4.495 4.640 0.008 0.000 0.212 396 D C 1.046 177.246 176.300 -0.166 0.000 0.972 396 D CA 0.844 54.788 54.000 -0.095 0.000 0.887 396 D CB -0.217 40.427 40.800 -0.261 0.000 0.915 396 D HN 0.341 nan 8.370 nan 0.000 0.497 397 Y N -0.590 119.771 120.300 0.101 0.000 2.466 397 Y HA 0.260 4.814 4.550 0.008 0.000 0.272 397 Y C 0.402 176.434 175.900 0.220 0.000 1.169 397 Y CA -0.287 57.902 58.100 0.150 0.000 1.285 397 Y CB 0.533 39.094 38.460 0.167 0.000 1.078 397 Y HN -0.134 nan 8.280 nan 0.000 0.523 398 L N 0.303 121.678 121.223 0.253 0.000 2.493 398 L HA 0.506 4.850 4.340 0.008 0.000 0.265 398 L C -1.782 175.162 176.870 0.123 0.000 0.954 398 L CA -0.628 54.342 54.840 0.218 0.000 0.844 398 L CB 1.954 44.116 42.059 0.171 0.000 1.302 398 L HN -0.161 nan 8.230 nan 0.000 0.405 399 D N 4.028 124.519 120.400 0.151 0.000 2.863 399 D HA 0.506 5.150 4.640 0.008 0.000 0.245 399 D C -1.289 175.070 176.300 0.097 0.000 1.211 399 D CA -0.121 53.920 54.000 0.069 0.000 0.888 399 D CB 2.880 43.814 40.800 0.223 0.000 1.483 399 D HN 0.284 nan 8.370 nan 0.000 0.533 400 V N 3.030 122.905 119.914 -0.064 0.000 2.384 400 V HA 0.349 4.474 4.120 0.008 0.000 0.287 400 V C -0.895 175.199 176.094 0.001 0.000 1.020 400 V CA -0.665 61.666 62.300 0.051 0.000 0.850 400 V CB 0.725 32.558 31.823 0.016 0.000 0.987 400 V HN 0.396 nan 8.190 nan 0.000 0.436 401 Y N 3.006 123.507 120.300 0.334 0.000 2.352 401 Y HA 0.676 5.230 4.550 0.008 0.000 0.339 401 Y C 0.020 176.036 175.900 0.193 0.000 0.992 401 Y CA -0.880 57.401 58.100 0.302 0.000 1.100 401 Y CB 2.175 40.936 38.460 0.503 0.000 1.192 401 Y HN 0.397 nan 8.280 nan 0.000 0.458 402 V N 4.617 124.620 119.914 0.147 0.000 2.444 402 V HA 0.357 4.481 4.120 0.008 0.000 0.294 402 V C -0.918 175.195 176.094 0.032 0.000 1.022 402 V CA -1.120 61.263 62.300 0.140 0.000 0.850 402 V CB 0.962 32.834 31.823 0.081 0.000 0.992 402 V HN 0.520 nan 8.190 nan 0.000 0.426 403 F N 2.907 123.022 119.950 0.275 0.000 2.334 403 F HA 0.639 5.170 4.527 0.007 0.000 0.367 403 F C 1.122 177.028 175.800 0.176 0.000 1.115 403 F CA -0.392 57.765 58.000 0.261 0.000 1.116 403 F CB 1.417 40.538 39.000 0.203 0.000 1.230 403 F HN 0.590 nan 8.300 nan 0.000 0.484 404 G N 2.316 111.277 108.800 0.268 0.000 2.415 404 G HA2 0.514 4.478 3.960 0.008 0.000 0.269 404 G HA3 0.514 4.478 3.960 0.008 0.000 0.269 404 G C -1.060 173.968 174.900 0.214 0.000 1.209 404 G CA -0.405 44.813 45.100 0.196 0.000 0.835 404 G HN 0.419 nan 8.290 nan 0.000 0.534 405 V N 1.870 121.887 119.914 0.172 0.000 2.531 405 V HA 0.853 4.978 4.120 0.008 0.000 0.301 405 V C 0.767 176.951 176.094 0.150 0.000 1.034 405 V CA 0.508 62.898 62.300 0.151 0.000 0.865 405 V CB 0.612 32.496 31.823 0.102 0.000 0.995 405 V HN 1.798 nan 8.190 nan 0.000 0.424 406 G N 6.645 115.558 108.800 0.188 0.000 2.796 406 G HA2 -0.094 3.870 3.960 0.008 0.000 0.571 406 G HA3 -0.094 3.870 3.960 0.008 0.000 0.571 406 G C -1.898 173.183 174.900 0.303 0.000 1.370 406 G CA -0.074 45.148 45.100 0.203 0.000 0.856 406 G HN 0.588 nan 8.290 nan 0.000 0.538 407 P HA 0.150 nan 4.420 nan 0.000 0.241 407 P C 1.332 178.713 177.300 0.133 0.000 1.191 407 P CA 0.583 63.815 63.100 0.219 0.000 0.771 407 P CB 0.201 32.032 31.700 0.219 0.000 0.929 408 L N -0.778 120.528 121.223 0.137 0.000 2.640 408 L HA 0.183 4.528 4.340 0.008 0.000 0.230 408 L C 0.904 177.890 176.870 0.192 0.000 1.123 408 L CA -0.301 54.629 54.840 0.150 0.000 0.900 408 L CB -0.493 41.644 42.059 0.129 0.000 1.146 408 L HN -0.200 nan 8.230 nan 0.000 0.484 409 V N 1.248 121.234 119.914 0.119 0.000 2.637 409 V HA 0.106 4.230 4.120 0.008 0.000 0.296 409 V C 0.572 176.644 176.094 -0.037 0.000 1.046 409 V CA -0.372 61.958 62.300 0.050 0.000 1.066 409 V CB 0.980 32.838 31.823 0.058 0.000 0.968 409 V HN 0.380 nan 8.190 nan 0.000 0.483 410 N N 5.337 123.902 118.700 -0.226 0.000 2.399 410 N HA 0.122 4.866 4.740 0.008 0.000 0.259 410 N C 0.797 176.230 175.510 -0.127 0.000 1.160 410 N CA 0.372 53.262 53.050 -0.266 0.000 0.946 410 N CB 1.224 39.380 38.487 -0.552 0.000 1.156 410 N HN 0.769 nan 8.380 nan 0.000 0.489 411 Q N 2.155 121.907 119.800 -0.079 0.000 2.123 411 Q HA -0.063 4.282 4.340 0.008 0.000 0.199 411 Q C 1.589 177.547 176.000 -0.069 0.000 0.966 411 Q CA 1.023 56.784 55.803 -0.070 0.000 0.845 411 Q CB 0.321 29.015 28.738 -0.072 0.000 0.907 411 Q HN 0.501 nan 8.270 nan 0.000 0.439 412 V N 1.954 121.830 119.914 -0.062 0.000 2.332 412 V HA -0.262 3.863 4.120 0.008 0.000 0.248 412 V C 1.634 177.695 176.094 -0.056 0.000 1.055 412 V CA 1.791 64.059 62.300 -0.054 0.000 1.038 412 V CB -0.463 31.337 31.823 -0.038 0.000 0.651 412 V HN 0.376 nan 8.190 nan 0.000 0.450 413 N N 0.260 118.921 118.700 -0.065 0.000 2.300 413 N HA -0.012 4.732 4.740 0.008 0.000 0.179 413 N C 1.805 177.291 175.510 -0.041 0.000 1.016 413 N CA 1.605 54.622 53.050 -0.055 0.000 0.876 413 N CB -0.286 38.157 38.487 -0.072 0.000 0.979 413 N HN 0.706 nan 8.380 nan 0.000 0.432 414 I N -1.374 119.169 120.570 -0.045 0.000 2.439 414 I HA -0.045 4.130 4.170 0.008 0.000 0.251 414 I C 1.961 178.048 176.117 -0.050 0.000 1.139 414 I CA 1.373 62.658 61.300 -0.026 0.000 1.438 414 I CB -0.309 37.683 38.000 -0.013 0.000 1.085 414 I HN -0.128 nan 8.210 nan 0.000 0.427 415 N N 1.933 120.592 118.700 -0.069 0.000 2.216 415 N HA -0.067 4.678 4.740 0.008 0.000 0.183 415 N C 1.949 177.412 175.510 -0.078 0.000 1.017 415 N CA 1.647 54.644 53.050 -0.088 0.000 0.861 415 N CB -0.172 38.260 38.487 -0.093 0.000 0.986 415 N HN 0.469 nan 8.380 nan 0.000 0.428 416 A N 0.272 123.055 122.820 -0.062 0.000 1.978 416 A HA -0.063 4.262 4.320 0.008 0.000 0.220 416 A C 2.165 179.717 177.584 -0.054 0.000 1.170 416 A CA 1.025 53.029 52.037 -0.055 0.000 0.636 416 A CB -0.631 18.343 19.000 -0.043 0.000 0.810 416 A HN 0.387 nan 8.150 nan 0.000 0.448 417 L N -1.151 120.046 121.223 -0.044 0.000 2.307 417 L HA 0.146 4.491 4.340 0.008 0.000 0.211 417 L C 1.550 178.388 176.870 -0.053 0.000 1.099 417 L CA 0.154 54.974 54.840 -0.034 0.000 0.816 417 L CB -0.357 41.701 42.059 -0.001 0.000 0.952 417 L HN 0.383 nan 8.230 nan 0.000 0.455 418 A N 0.035 122.811 122.820 -0.073 0.000 2.425 418 A HA 0.328 4.652 4.320 0.008 0.000 0.249 418 A C 0.572 178.032 177.584 -0.206 0.000 1.084 418 A CA -0.225 51.744 52.037 -0.113 0.000 0.781 418 A CB 0.262 19.195 19.000 -0.111 0.000 1.019 418 A HN 0.180 nan 8.150 nan 0.000 0.490 419 S N 0.599 116.075 115.700 -0.373 0.000 2.566 419 S HA 0.193 4.667 4.470 0.008 0.000 0.280 419 S C 0.020 174.317 174.600 -0.504 0.000 1.343 419 S CA 0.357 58.223 58.200 -0.557 0.000 1.036 419 S CB 0.247 62.835 63.200 -1.019 0.000 0.866 419 S HN 0.517 nan 8.310 nan 0.000 0.526 420 K N 2.236 122.437 120.400 -0.333 0.000 2.575 420 K HA 0.329 4.654 4.320 0.008 0.000 0.236 420 K C -0.832 175.685 176.600 -0.138 0.000 0.976 420 K CA -0.184 55.989 56.287 -0.190 0.000 0.985 420 K CB 1.057 33.487 32.500 -0.117 0.000 1.198 420 K HN 0.353 nan 8.250 nan 0.000 0.464 421 K N 1.469 121.815 120.400 -0.091 0.000 2.324 421 K HA 0.223 4.547 4.320 0.008 0.000 0.253 421 K C -1.028 175.591 176.600 0.032 0.000 0.932 421 K CA -1.132 55.149 56.287 -0.011 0.000 0.799 421 K CB 2.107 34.630 32.500 0.037 0.000 1.154 421 K HN 0.418 nan 8.250 nan 0.000 0.425 422 D N 1.856 122.275 120.400 0.032 0.000 2.493 422 D HA -0.076 4.568 4.640 0.008 0.000 0.240 422 D C 0.546 176.865 176.300 0.032 0.000 1.142 422 D CA 1.164 55.183 54.000 0.032 0.000 0.872 422 D CB 0.270 41.097 40.800 0.046 0.000 1.173 422 D HN 0.543 nan 8.370 nan 0.000 0.467 423 N N 1.734 120.444 118.700 0.016 0.000 2.714 423 N HA -0.219 4.525 4.740 0.008 0.000 0.250 423 N C -1.228 174.302 175.510 0.032 0.000 1.117 423 N CA 1.040 54.099 53.050 0.015 0.000 0.719 423 N CB -0.651 37.845 38.487 0.015 0.000 1.081 423 N HN 0.688 nan 8.380 nan 0.000 0.557 424 E N -0.104 120.126 120.200 0.049 0.000 2.343 424 E HA 0.368 4.722 4.350 0.008 0.000 0.270 424 E C -0.682 175.957 176.600 0.066 0.000 0.895 424 E CA -0.644 55.798 56.400 0.069 0.000 0.767 424 E CB 1.984 31.761 29.700 0.128 0.000 1.248 424 E HN 0.171 nan 8.360 nan 0.000 0.440 425 Q N 0.954 120.773 119.800 0.033 0.000 2.333 425 Q HA 0.294 4.639 4.340 0.008 0.000 0.267 425 Q C -0.792 175.092 176.000 -0.192 0.000 1.012 425 Q CA -0.319 55.454 55.803 -0.050 0.000 0.824 425 Q CB 0.928 29.653 28.738 -0.022 0.000 1.290 425 Q HN 0.632 nan 8.270 nan 0.000 0.449 426 H N 0.728 119.581 119.070 -0.362 0.000 3.233 426 H HA 0.266 4.827 4.556 0.008 0.000 0.263 426 H C -0.874 174.084 175.328 -0.617 0.000 1.168 426 H CA 0.179 56.004 56.048 -0.371 0.000 1.159 426 H CB 1.300 30.833 29.762 -0.381 0.000 1.593 426 H HN 0.211 nan 8.280 nan 0.000 0.580 427 V N 1.097 120.529 119.914 -0.802 0.000 2.444 427 V HA 0.404 4.529 4.120 0.008 0.000 0.294 427 V C -0.954 174.571 176.094 -0.948 0.000 1.022 427 V CA -0.872 61.034 62.300 -0.656 0.000 0.850 427 V CB 1.194 32.822 31.823 -0.326 0.000 0.992 427 V HN 0.004 nan 8.190 nan 0.000 0.426 428 F N 2.175 122.037 119.950 -0.148 0.000 2.563 428 F HA 0.711 5.242 4.527 0.008 0.000 0.316 428 F C 0.055 175.859 175.800 0.007 0.000 1.076 428 F CA -0.949 56.996 58.000 -0.091 0.000 0.921 428 F CB 2.279 41.180 39.000 -0.166 0.000 1.209 428 F HN 0.353 nan 8.300 nan 0.000 0.462 429 K N 2.928 123.464 120.400 0.226 0.000 2.604 429 K HA 0.624 4.949 4.320 0.008 0.000 0.247 429 K C -1.477 175.325 176.600 0.336 0.000 0.956 429 K CA -0.526 55.896 56.287 0.225 0.000 0.896 429 K CB 1.499 34.059 32.500 0.101 0.000 1.131 429 K HN 0.618 nan 8.250 nan 0.000 0.440 430 V N 0.738 120.838 119.914 0.310 0.000 2.975 430 V HA 0.414 4.539 4.120 0.008 0.000 0.318 430 V C 1.068 177.197 176.094 0.057 0.000 1.077 430 V CA -0.654 61.764 62.300 0.198 0.000 1.000 430 V CB 1.712 33.591 31.823 0.094 0.000 1.066 430 V HN 0.740 nan 8.190 nan 0.000 0.452 431 K N 0.027 120.211 120.400 -0.359 0.000 2.147 431 K HA 0.051 4.376 4.320 0.008 0.000 0.205 431 K C -0.137 176.304 176.600 -0.265 0.000 1.049 431 K CA 1.542 57.379 56.287 -0.749 0.000 0.936 431 K CB -0.016 32.095 32.500 -0.647 0.000 0.722 431 K HN 0.832 nan 8.250 nan 0.000 0.446 432 D N -2.147 118.178 120.400 -0.127 0.000 2.663 432 D HA 0.045 4.690 4.640 0.008 0.000 0.233 432 D C -0.039 176.239 176.300 -0.037 0.000 1.240 432 D CA -0.444 53.510 54.000 -0.078 0.000 0.774 432 D CB 1.461 42.200 40.800 -0.102 0.000 1.443 432 D HN -0.254 nan 8.370 nan 0.000 0.441 433 M N 1.272 120.855 119.600 -0.029 0.000 2.159 433 M HA -0.064 4.420 4.480 0.008 0.000 0.263 433 M C 1.598 177.880 176.300 -0.031 0.000 1.063 433 M CA 1.881 57.164 55.300 -0.027 0.000 1.110 433 M CB -0.286 32.292 32.600 -0.037 0.000 1.374 433 M HN 0.580 nan 8.290 nan 0.000 0.411 434 E N -0.669 119.510 120.200 -0.035 0.000 2.118 434 E HA -0.244 4.111 4.350 0.008 0.000 0.195 434 E C 1.467 178.050 176.600 -0.027 0.000 0.992 434 E CA 1.653 58.038 56.400 -0.025 0.000 0.804 434 E CB -0.064 29.612 29.700 -0.040 0.000 0.741 434 E HN 0.622 nan 8.360 nan 0.000 0.458 435 N N 0.041 118.710 118.700 -0.053 0.000 2.250 435 N HA -0.101 4.643 4.740 0.008 0.000 0.181 435 N C 1.574 177.057 175.510 -0.044 0.000 1.017 435 N CA 0.424 53.435 53.050 -0.064 0.000 0.866 435 N CB -0.126 38.304 38.487 -0.095 0.000 0.985 435 N HN 0.087 nan 8.380 nan 0.000 0.429 436 L N 1.611 122.822 121.223 -0.019 0.000 2.042 436 L HA -0.123 4.222 4.340 0.008 0.000 0.210 436 L C 1.640 178.527 176.870 0.027 0.000 1.076 436 L CA 1.750 56.593 54.840 0.005 0.000 0.749 436 L CB -0.516 41.560 42.059 0.029 0.000 0.893 436 L HN 0.194 nan 8.230 nan 0.000 0.432 437 E N -0.724 119.466 120.200 -0.017 0.000 2.118 437 E HA -0.235 4.119 4.350 0.008 0.000 0.195 437 E C 1.726 178.275 176.600 -0.085 0.000 0.992 437 E CA 1.313 57.652 56.400 -0.101 0.000 0.804 437 E CB -0.120 29.526 29.700 -0.089 0.000 0.741 437 E HN 0.527 nan 8.360 nan 0.000 0.458 438 D N -0.041 120.386 120.400 0.044 0.000 2.218 438 D HA -0.109 4.535 4.640 0.008 0.000 0.204 438 D C 1.925 178.216 176.300 -0.016 0.000 0.976 438 D CA 0.502 54.561 54.000 0.099 0.000 0.853 438 D CB -0.080 40.721 40.800 0.002 0.000 0.939 438 D HN 0.018 nan 8.370 nan 0.000 0.481 439 V N 0.299 120.118 119.914 -0.159 0.000 2.287 439 V HA -0.242 3.883 4.120 0.008 0.000 0.248 439 V C 1.946 177.771 176.094 -0.447 0.000 1.053 439 V CA 1.455 63.519 62.300 -0.393 0.000 1.027 439 V CB -0.479 30.933 31.823 -0.684 0.000 0.646 439 V HN 0.125 nan 8.190 nan 0.000 0.447 440 F N -2.266 117.577 119.950 -0.178 0.000 2.569 440 F HA 0.072 4.603 4.527 0.008 0.000 0.295 440 F C 2.105 177.856 175.800 -0.082 0.000 1.115 440 F CA 0.470 58.366 58.000 -0.173 0.000 1.450 440 F CB -0.536 38.281 39.000 -0.305 0.000 1.107 440 F HN 0.100 nan 8.300 nan 0.000 0.563 441 Y N 0.349 120.706 120.300 0.095 0.000 2.200 441 Y HA -0.213 4.342 4.550 0.008 0.000 0.290 441 Y C 2.610 178.548 175.900 0.063 0.000 1.137 441 Y CA 1.287 59.422 58.100 0.057 0.000 1.163 441 Y CB -1.032 37.437 38.460 0.016 0.000 0.988 441 Y HN 0.076 nan 8.280 nan 0.000 0.518 442 Q N 0.100 120.025 119.800 0.209 0.000 2.084 442 Q HA -0.200 4.145 4.340 0.008 0.000 0.202 442 Q C 2.079 178.269 176.000 0.316 0.000 0.978 442 Q CA 2.006 57.929 55.803 0.201 0.000 0.844 442 Q CB -0.340 28.444 28.738 0.076 0.000 0.898 442 Q HN 0.481 nan 8.270 nan 0.000 0.426 443 M N -0.622 119.127 119.600 0.248 0.000 2.159 443 M HA -0.151 4.334 4.480 0.008 0.000 0.263 443 M C 1.686 178.101 176.300 0.192 0.000 1.063 443 M CA 0.934 56.407 55.300 0.288 0.000 1.110 443 M CB -0.173 32.559 32.600 0.218 0.000 1.374 443 M HN 0.282 nan 8.290 nan 0.000 0.411 444 I N 0.289 120.962 120.570 0.171 0.000 2.315 444 I HA -0.242 3.933 4.170 0.008 0.000 0.248 444 I C 1.529 177.703 176.117 0.095 0.000 1.117 444 I CA 1.544 62.916 61.300 0.120 0.000 1.404 444 I CB -1.222 36.865 38.000 0.145 0.000 1.071 444 I HN 0.251 nan 8.210 nan 0.000 0.419 445 D N 0.313 120.794 120.400 0.135 0.000 2.317 445 D HA -0.140 4.504 4.640 0.008 0.000 0.211 445 D C 2.045 178.391 176.300 0.076 0.000 0.966 445 D CA 0.403 54.468 54.000 0.110 0.000 0.876 445 D CB -0.051 40.834 40.800 0.141 0.000 0.927 445 D HN 0.395 nan 8.370 nan 0.000 0.519 446 E N 0.669 120.895 120.200 0.043 0.000 2.085 446 E HA -0.167 4.188 4.350 0.008 0.000 0.194 446 E C 1.596 178.093 176.600 -0.172 0.000 0.994 446 E CA 1.413 57.709 56.400 -0.173 0.000 0.801 446 E CB 0.184 29.599 29.700 -0.475 0.000 0.743 446 E HN 0.268 nan 8.360 nan 0.000 0.453 447 S N -0.270 115.364 115.700 -0.111 0.000 2.558 447 S HA 0.032 4.506 4.470 0.008 0.000 0.217 447 S C 0.889 175.460 174.600 -0.049 0.000 0.975 447 S CA -0.273 57.870 58.200 -0.095 0.000 0.912 447 S CB 0.236 63.374 63.200 -0.103 0.000 0.776 447 S HN 0.021 nan 8.310 nan 0.000 0.526 448 Q N 3.241 123.027 119.800 -0.023 0.000 2.454 448 Q HA 0.359 4.704 4.340 0.008 0.000 0.247 448 Q C 0.516 176.523 176.000 0.012 0.000 1.028 448 Q CA 0.113 55.916 55.803 0.001 0.000 0.910 448 Q CB 0.762 29.510 28.738 0.017 0.000 1.276 448 Q HN 0.571 nan 8.270 nan 0.000 0.489 449 S N 0.951 116.666 115.700 0.025 0.000 2.580 449 S HA 0.003 4.478 4.470 0.008 0.000 0.266 449 S C 0.845 175.480 174.600 0.059 0.000 1.354 449 S CA -0.533 57.694 58.200 0.045 0.000 1.008 449 S CB 0.353 63.588 63.200 0.058 0.000 0.898 449 S HN 0.506 nan 8.310 nan 0.000 0.555 450 L N 2.062 123.336 121.223 0.084 0.000 2.362 450 L HA 0.024 4.369 4.340 0.008 0.000 0.219 450 L C 2.643 179.525 176.870 0.019 0.000 1.134 450 L CA 1.288 56.175 54.840 0.079 0.000 0.807 450 L CB -1.724 40.413 42.059 0.129 0.000 0.927 450 L HN 0.850 nan 8.230 nan 0.000 0.447 451 S N -0.755 115.013 115.700 0.113 0.000 2.447 451 S HA -0.058 4.417 4.470 0.008 0.000 0.233 451 S C 0.901 175.500 174.600 -0.001 0.000 1.006 451 S CA -0.152 58.105 58.200 0.095 0.000 0.957 451 S CB -0.362 62.973 63.200 0.224 0.000 0.773 451 S HN 0.199 nan 8.310 nan 0.000 0.507 452 L N 3.588 124.819 121.223 0.013 0.000 2.700 452 L HA -0.035 4.310 4.340 0.008 0.000 0.276 452 L C 0.538 177.403 176.870 -0.009 0.000 1.200 452 L CA -0.334 54.511 54.840 0.009 0.000 0.951 452 L CB -0.802 41.276 42.059 0.031 0.000 1.226 452 L HN 0.459 nan 8.230 nan 0.000 0.489 453 c N 4.061 122.650 118.600 -0.018 0.000 2.632 453 c HA 0.600 5.174 4.570 0.008 0.000 0.415 453 c C 1.485 175.587 174.090 0.019 0.000 1.332 453 c CA -0.440 55.873 56.329 -0.027 0.000 1.874 453 c CB -0.547 41.932 42.510 -0.052 0.000 2.596 453 c HN 1.499 nan 8.230 nan 0.000 0.590 454 G N 4.282 113.115 108.800 0.056 0.000 2.305 454 G HA2 -0.209 3.755 3.960 0.008 0.000 0.287 454 G HA3 -0.209 3.755 3.960 0.008 0.000 0.287 454 G C -0.259 174.813 174.900 0.285 0.000 1.036 454 G CA 0.550 45.737 45.100 0.145 0.000 0.887 454 G HN 1.045 nan 8.290 nan 0.000 0.505 455 M N 0.154 119.905 119.600 0.252 0.000 2.364 455 M HA 0.617 5.102 4.480 0.008 0.000 0.334 455 M C -0.664 175.830 176.300 0.323 0.000 1.107 455 M CA -0.575 54.890 55.300 0.275 0.000 0.988 455 M CB 2.078 34.789 32.600 0.185 0.000 1.673 455 M HN 0.022 nan 8.290 nan 0.000 0.441 456 V N 5.003 125.140 119.914 0.371 0.000 2.482 456 V HA 0.331 4.455 4.120 0.008 0.000 0.295 456 V C -0.689 175.556 176.094 0.251 0.000 1.026 456 V CA -0.955 61.528 62.300 0.304 0.000 0.856 456 V CB 2.036 34.029 31.823 0.282 0.000 1.001 456 V HN 0.864 nan 8.190 nan 0.000 0.424 457 W N 3.503 124.794 121.300 -0.015 0.000 2.218 457 W HA 0.363 5.027 4.660 0.007 0.000 0.326 457 W C 0.385 176.738 176.519 -0.277 0.000 1.276 457 W CA -0.250 56.978 57.345 -0.194 0.000 1.210 457 W CB 1.338 30.572 29.460 -0.376 0.000 1.143 457 W HN 0.739 nan 8.180 nan 0.000 0.563 458 E N 4.343 124.029 120.200 -0.856 0.000 1.852 458 E HA 0.017 4.372 4.350 0.008 0.000 0.276 458 E C -0.210 176.161 176.600 -0.381 0.000 1.163 458 E CA 0.017 56.109 56.400 -0.514 0.000 1.117 458 E CB -0.689 28.718 29.700 -0.489 0.000 1.124 458 E HN 0.165 nan 8.360 nan 0.000 0.458 459 H N 2.523 121.603 119.070 0.017 0.000 2.929 459 H HA 0.007 4.567 4.556 0.007 0.000 0.317 459 H C 1.157 176.475 175.328 -0.017 0.000 1.031 459 H CA 0.256 56.351 56.048 0.079 0.000 1.466 459 H CB 0.991 30.776 29.762 0.037 0.000 1.482 459 H HN 0.498 nan 8.280 nan 0.000 0.561 460 R N 2.380 122.949 120.500 0.114 0.000 2.096 460 R HA -0.091 4.254 4.340 0.008 0.000 0.235 460 R C 0.647 176.956 176.300 0.015 0.000 1.127 460 R CA 1.134 57.260 56.100 0.043 0.000 0.968 460 R CB 0.301 30.628 30.300 0.046 0.000 0.861 460 R HN 0.291 nan 8.270 nan 0.000 0.440 461 K N 0.155 120.554 120.400 -0.002 0.000 2.437 461 K HA 0.189 4.513 4.320 0.008 0.000 0.205 461 K C 0.125 176.651 176.600 -0.124 0.000 1.026 461 K CA 0.223 56.481 56.287 -0.048 0.000 1.153 461 K CB 1.037 33.510 32.500 -0.046 0.000 0.863 461 K HN 0.227 nan 8.250 nan 0.000 0.502 462 G N 1.442 110.151 108.800 -0.151 0.000 2.594 462 G HA2 0.144 4.109 3.960 0.008 0.000 0.243 462 G HA3 0.144 4.109 3.960 0.008 0.000 0.243 462 G C 0.470 175.354 174.900 -0.027 0.000 1.229 462 G CA -0.046 44.868 45.100 -0.309 0.000 0.843 462 G HN 0.226 nan 8.290 nan 0.000 0.578 463 T N -1.747 112.938 114.554 0.219 0.000 2.893 463 T HA 0.301 4.656 4.350 0.008 0.000 0.281 463 T C 0.858 175.637 174.700 0.132 0.000 1.027 463 T CA -0.114 62.102 62.100 0.194 0.000 0.953 463 T CB 1.115 70.119 68.868 0.227 0.000 1.434 463 T HN 0.240 nan 8.240 nan 0.000 0.597 464 D N -0.510 119.905 120.400 0.024 0.000 2.178 464 D HA -0.032 4.613 4.640 0.008 0.000 0.201 464 D C 1.484 177.574 176.300 -0.350 0.000 0.980 464 D CA 1.405 55.300 54.000 -0.175 0.000 0.842 464 D CB -0.282 40.371 40.800 -0.245 0.000 0.948 464 D HN 0.573 nan 8.370 nan 0.000 0.472 465 Y N 0.099 120.318 120.300 -0.136 0.000 2.544 465 Y HA 0.005 4.560 4.550 0.007 0.000 0.286 465 Y C 2.228 177.942 175.900 -0.310 0.000 1.141 465 Y CA 0.532 58.478 58.100 -0.256 0.000 1.299 465 Y CB 0.012 38.322 38.460 -0.249 0.000 1.030 465 Y HN 0.201 nan 8.280 nan 0.000 0.543 466 H N -0.386 118.684 119.070 -0.001 0.000 2.502 466 H HA 0.011 4.572 4.556 0.008 0.000 0.283 466 H C 1.375 176.678 175.328 -0.041 0.000 1.015 466 H CA 1.056 57.121 56.048 0.029 0.000 1.298 466 H CB 0.356 30.176 29.762 0.097 0.000 1.411 466 H HN 0.401 nan 8.280 nan 0.000 0.556 467 K N 0.545 120.905 120.400 -0.067 0.000 2.334 467 K HA 0.027 4.352 4.320 0.008 0.000 0.195 467 K C 0.245 176.543 176.600 -0.503 0.000 1.045 467 K CA 0.393 56.569 56.287 -0.185 0.000 1.004 467 K CB 0.542 32.951 32.500 -0.151 0.000 0.837 467 K HN 0.075 nan 8.250 nan 0.000 0.510 468 Q N 0.219 119.575 119.800 -0.740 0.000 2.928 468 Q HA 0.125 4.470 4.340 0.008 0.000 0.353 468 Q C -2.215 173.004 176.000 -1.302 0.000 0.870 468 Q CA -1.431 53.467 55.803 -1.509 0.000 0.963 468 Q CB 1.316 29.291 28.738 -1.271 0.000 1.419 468 Q HN -0.032 nan 8.270 nan 0.000 0.396 469 P HA -0.153 nan 4.420 nan 0.000 0.225 469 P C 0.335 177.521 177.300 -0.190 0.000 1.148 469 P CA 0.843 63.759 63.100 -0.306 0.000 0.779 469 P CB -0.023 31.615 31.700 -0.103 0.000 0.780 470 W N -0.471 120.805 121.300 -0.041 0.000 3.139 470 W HA 0.329 4.993 4.660 0.007 0.000 0.260 470 W C 0.523 177.065 176.519 0.039 0.000 1.312 470 W CA -0.482 56.854 57.345 -0.016 0.000 1.606 470 W CB -1.414 28.016 29.460 -0.051 0.000 1.118 470 W HN -0.169 nan 8.180 nan 0.000 0.675 471 Q N 2.422 122.058 119.800 -0.274 0.000 2.297 471 Q HA 0.474 4.819 4.340 0.008 0.000 0.267 471 Q C -0.489 175.612 176.000 0.169 0.000 1.006 471 Q CA 0.254 56.051 55.803 -0.010 0.000 0.896 471 Q CB 1.065 29.671 28.738 -0.220 0.000 1.186 471 Q HN 0.256 nan 8.270 nan 0.000 0.392 472 A N 4.526 127.455 122.820 0.181 0.000 2.350 472 A HA 0.624 4.948 4.320 0.008 0.000 0.324 472 A C -0.989 176.677 177.584 0.138 0.000 1.118 472 A CA -0.780 51.345 52.037 0.147 0.000 0.783 472 A CB 1.139 20.224 19.000 0.142 0.000 1.236 472 A HN 0.696 nan 8.150 nan 0.000 0.457 473 K N 1.565 122.029 120.400 0.108 0.000 2.235 473 K HA 0.546 4.871 4.320 0.008 0.000 0.266 473 K C -1.483 175.166 176.600 0.082 0.000 0.980 473 K CA -0.354 55.991 56.287 0.096 0.000 0.849 473 K CB 1.499 34.049 32.500 0.084 0.000 1.098 473 K HN 0.571 nan 8.250 nan 0.000 0.445 474 I N 1.405 122.027 120.570 0.087 0.000 2.378 474 I HA 0.168 4.343 4.170 0.008 0.000 0.291 474 I C -0.040 176.121 176.117 0.072 0.000 0.992 474 I CA -0.055 61.302 61.300 0.095 0.000 1.154 474 I CB 1.988 40.063 38.000 0.124 0.000 1.315 474 I HN 0.352 nan 8.210 nan 0.000 0.448 475 S N 4.407 120.152 115.700 0.074 0.000 2.482 475 S HA 0.755 5.230 4.470 0.008 0.000 0.303 475 S C -0.751 173.903 174.600 0.090 0.000 1.091 475 S CA -0.567 57.672 58.200 0.064 0.000 1.057 475 S CB 1.582 64.782 63.200 0.000 0.000 1.031 475 S HN 0.274 nan 8.310 nan 0.000 0.485 476 V N 5.131 125.105 119.914 0.100 0.000 2.487 476 V HA 0.489 4.614 4.120 0.008 0.000 0.298 476 V C -0.650 175.518 176.094 0.123 0.000 1.028 476 V CA -0.853 61.518 62.300 0.118 0.000 0.860 476 V CB 1.536 33.432 31.823 0.121 0.000 0.991 476 V HN 0.701 nan 8.190 nan 0.000 0.427 477 I N 5.266 125.899 120.570 0.104 0.000 2.365 477 I HA 0.521 4.696 4.170 0.008 0.000 0.291 477 I C 0.371 176.549 176.117 0.101 0.000 1.004 477 I CA -0.264 61.102 61.300 0.108 0.000 1.311 477 I CB 1.110 39.161 38.000 0.087 0.000 1.401 477 I HN 0.605 nan 8.210 nan 0.000 0.491 478 R N 6.750 127.313 120.500 0.105 0.000 2.502 478 R HA 0.418 4.762 4.340 0.008 0.000 0.300 478 R C -2.619 173.728 176.300 0.079 0.000 0.984 478 R CA -1.699 54.452 56.100 0.086 0.000 0.882 478 R CB 1.798 32.147 30.300 0.081 0.000 1.180 478 R HN 0.349 nan 8.270 nan 0.000 0.444 479 P HA -0.042 nan 4.420 nan 0.000 0.264 479 P C -0.406 176.926 177.300 0.053 0.000 1.193 479 P CA 0.387 63.524 63.100 0.063 0.000 0.763 479 P CB 0.651 32.386 31.700 0.060 0.000 0.810 480 S N -0.040 115.690 115.700 0.050 0.000 3.682 480 S HA -0.198 4.277 4.470 0.008 0.000 0.354 480 S C 0.136 174.758 174.600 0.038 0.000 1.034 480 S CA 1.539 59.764 58.200 0.041 0.000 1.084 480 S CB -1.601 61.620 63.200 0.035 0.000 0.903 480 S HN 0.927 nan 8.310 nan 0.000 0.470 481 K N -0.618 119.807 120.400 0.042 0.000 2.685 481 K HA 0.489 4.813 4.320 0.008 0.000 0.290 481 K C -0.063 176.557 176.600 0.032 0.000 1.018 481 K CA -0.255 56.052 56.287 0.034 0.000 0.860 481 K CB 0.681 33.204 32.500 0.038 0.000 1.498 481 K HN 0.240 nan 8.250 nan 0.000 0.390 482 G N 2.279 111.079 108.800 0.001 0.000 2.406 482 G HA2 0.162 4.127 3.960 0.008 0.000 0.251 482 G HA3 0.162 4.127 3.960 0.008 0.000 0.251 482 G C -0.055 174.824 174.900 -0.036 0.000 1.271 482 G CA -0.266 44.798 45.100 -0.060 0.000 0.859 482 G HN 0.685 nan 8.290 nan 0.000 0.540 483 H N 0.743 119.836 119.070 0.037 0.000 2.790 483 H HA 0.255 4.815 4.556 0.006 0.000 0.358 483 H C -0.235 175.112 175.328 0.031 0.000 1.103 483 H CA -0.331 55.739 56.048 0.037 0.000 1.426 483 H CB 1.206 30.991 29.762 0.038 0.000 1.424 483 H HN 0.409 nan 8.280 nan 0.000 0.599 484 E N 1.957 122.252 120.200 0.158 0.000 2.338 484 E HA 0.151 4.506 4.350 0.008 0.000 0.272 484 E C -0.863 175.832 176.600 0.159 0.000 1.029 484 E CA -0.493 55.960 56.400 0.088 0.000 0.872 484 E CB 0.627 30.337 29.700 0.015 0.000 1.015 484 E HN 0.704 nan 8.360 nan 0.000 0.417 485 S N 3.365 119.136 115.700 0.119 0.000 2.659 485 S HA 0.658 5.133 4.470 0.008 0.000 0.312 485 S C -0.658 173.978 174.600 0.059 0.000 1.114 485 S CA -0.918 57.354 58.200 0.121 0.000 1.063 485 S CB 0.496 63.799 63.200 0.173 0.000 0.996 485 S HN 0.473 nan 8.310 nan 0.000 0.478 486 c N 3.742 122.361 118.600 0.030 0.000 3.108 486 c HA 0.772 5.346 4.570 0.008 0.000 0.321 486 c C -0.357 173.766 174.090 0.056 0.000 1.357 486 c CA -0.797 55.539 56.329 0.011 0.000 1.562 486 c CB 1.936 44.384 42.510 -0.104 0.000 2.003 486 c HN 0.923 nan 8.230 nan 0.000 0.460 487 M N 1.028 120.672 119.600 0.073 0.000 2.777 487 M HA 0.698 5.182 4.480 0.008 0.000 0.307 487 M C 0.202 176.576 176.300 0.124 0.000 1.228 487 M CA -0.047 55.320 55.300 0.112 0.000 0.871 487 M CB 1.351 34.033 32.600 0.137 0.000 1.721 487 M HN 0.969 nan 8.290 nan 0.000 0.487 488 G N 0.035 108.929 108.800 0.157 0.000 2.650 488 G HA2 0.788 4.753 3.960 0.008 0.000 0.295 488 G HA3 0.788 4.753 3.960 0.008 0.000 0.295 488 G C -2.277 172.754 174.900 0.218 0.000 1.397 488 G CA -0.497 44.708 45.100 0.174 0.000 0.781 488 G HN 0.842 nan 8.290 nan 0.000 0.486 489 A N -0.450 122.500 122.820 0.217 0.000 2.356 489 A HA 0.705 5.029 4.320 0.008 0.000 0.310 489 A C -0.352 177.366 177.584 0.223 0.000 1.075 489 A CA -0.510 51.687 52.037 0.265 0.000 0.746 489 A CB 1.719 20.833 19.000 0.189 0.000 1.221 489 A HN 1.329 nan 8.150 nan 0.000 0.443 490 V N 3.324 123.386 119.914 0.247 0.000 2.485 490 V HA 0.145 4.269 4.120 0.008 0.000 0.287 490 V C 1.387 177.595 176.094 0.190 0.000 1.022 490 V CA 0.974 63.405 62.300 0.218 0.000 1.067 490 V CB 0.788 32.743 31.823 0.219 0.000 0.967 490 V HN 1.148 nan 8.190 nan 0.000 0.479 491 V N 1.646 121.677 119.914 0.195 0.000 3.612 491 V HA 0.446 4.571 4.120 0.008 0.000 0.268 491 V C 0.532 176.740 176.094 0.190 0.000 1.365 491 V CA 0.808 63.198 62.300 0.151 0.000 1.044 491 V CB 0.289 32.184 31.823 0.121 0.000 0.820 491 V HN 0.893 nan 8.190 nan 0.000 0.444 492 S N -1.079 114.792 115.700 0.286 0.000 2.661 492 S HA 0.414 4.889 4.470 0.008 0.000 0.268 492 S C 0.134 174.929 174.600 0.325 0.000 1.162 492 S CA 0.007 58.412 58.200 0.342 0.000 0.817 492 S CB 1.362 64.761 63.200 0.331 0.000 1.141 492 S HN 0.120 nan 8.310 nan 0.000 0.477 493 E N -0.611 119.698 120.200 0.182 0.000 2.338 493 E HA 0.016 4.371 4.350 0.008 0.000 0.197 493 E C 0.157 176.602 176.600 -0.258 0.000 1.007 493 E CA 1.155 57.461 56.400 -0.156 0.000 0.849 493 E CB -0.192 29.287 29.700 -0.369 0.000 0.774 493 E HN 0.602 nan 8.360 nan 0.000 0.506 494 Y N -1.951 118.355 120.300 0.009 0.000 2.453 494 Y HA 0.237 4.792 4.550 0.007 0.000 0.247 494 Y C -0.214 175.460 175.900 -0.378 0.000 1.124 494 Y CA -0.201 57.777 58.100 -0.205 0.000 1.243 494 Y CB 0.862 39.142 38.460 -0.300 0.000 1.213 494 Y HN -0.153 nan 8.280 nan 0.000 0.523 495 F N -0.445 119.594 119.950 0.149 0.000 2.540 495 F HA 0.603 5.133 4.527 0.006 0.000 0.317 495 F C -0.594 175.262 175.800 0.094 0.000 1.104 495 F CA -1.506 56.553 58.000 0.098 0.000 0.913 495 F CB 1.633 40.673 39.000 0.066 0.000 1.170 495 F HN -0.543 nan 8.300 nan 0.000 0.450 496 V N 4.567 124.642 119.914 0.269 0.000 2.448 496 V HA 0.398 4.523 4.120 0.008 0.000 0.295 496 V C -0.846 175.378 176.094 0.217 0.000 1.025 496 V CA -0.767 61.659 62.300 0.211 0.000 0.859 496 V CB 1.810 33.726 31.823 0.155 0.000 0.988 496 V HN 0.521 nan 8.190 nan 0.000 0.431 497 L N 5.252 126.593 121.223 0.196 0.000 2.275 497 L HA 0.811 5.155 4.340 0.008 0.000 0.288 497 L C 0.067 177.045 176.870 0.180 0.000 1.046 497 L CA 1.231 56.183 54.840 0.187 0.000 0.805 497 L CB 1.476 43.631 42.059 0.159 0.000 1.193 497 L HN 0.849 nan 8.230 nan 0.000 0.426 498 T N 3.033 117.699 114.554 0.185 0.000 2.598 498 T HA 0.827 5.182 4.350 0.008 0.000 0.289 498 T C -1.211 173.564 174.700 0.124 0.000 1.056 498 T CA -0.021 62.173 62.100 0.157 0.000 1.088 498 T CB 0.984 69.961 68.868 0.181 0.000 1.519 498 T HN 0.857 nan 8.240 nan 0.000 0.488 499 A N 0.240 123.084 122.820 0.041 0.000 2.304 499 A HA 0.751 5.076 4.320 0.008 0.000 0.301 499 A C 1.355 178.896 177.584 -0.071 0.000 1.132 499 A CA 0.225 52.243 52.037 -0.032 0.000 0.819 499 A CB 0.454 19.362 19.000 -0.153 0.000 1.094 499 A HN 1.138 nan 8.150 nan 0.000 0.492 500 A N 0.677 123.421 122.820 -0.126 0.000 2.015 500 A HA -0.095 4.230 4.320 0.008 0.000 0.219 500 A C 1.685 179.270 177.584 0.001 0.000 1.163 500 A CA 1.569 53.506 52.037 -0.167 0.000 0.646 500 A CB -0.919 17.596 19.000 -0.807 0.000 0.806 500 A HN 1.049 nan 8.150 nan 0.000 0.448 501 H N -1.775 117.341 119.070 0.077 0.000 2.559 501 H HA -0.037 4.522 4.556 0.006 0.000 0.273 501 H C 1.471 176.854 175.328 0.091 0.000 1.000 501 H CA 1.196 57.386 56.048 0.236 0.000 1.195 501 H CB -0.738 29.261 29.762 0.394 0.000 1.368 501 H HN 0.431 nan 8.280 nan 0.000 0.592 502 c N 0.699 119.028 118.600 -0.451 0.000 2.472 502 c HA 0.149 4.724 4.570 0.008 0.000 0.278 502 c C 0.279 173.929 174.090 -0.733 0.000 1.447 502 c CA -0.053 55.882 56.329 -0.656 0.000 1.773 502 c CB -1.619 40.274 42.510 -1.028 0.000 1.793 502 c HN 0.325 nan 8.230 nan 0.000 0.544 503 F N 0.212 120.257 119.950 0.158 0.000 2.588 503 F HA 0.530 5.060 4.527 0.004 0.000 0.310 503 F C 0.370 176.370 175.800 0.334 0.000 1.082 503 F CA -0.724 57.419 58.000 0.238 0.000 0.929 503 F CB 0.946 40.094 39.000 0.247 0.000 1.254 503 F HN -0.130 nan 8.300 nan 0.000 0.455 504 T N -2.173 112.639 114.554 0.429 0.000 2.905 504 T HA 0.376 4.731 4.350 0.008 0.000 0.283 504 T C 0.581 175.417 174.700 0.226 0.000 1.031 504 T CA -0.477 61.786 62.100 0.272 0.000 1.002 504 T CB 1.565 70.530 68.868 0.161 0.000 1.200 504 T HN 0.568 nan 8.240 nan 0.000 0.560 505 V N 0.675 120.634 119.914 0.075 0.000 2.490 505 V HA -0.123 4.001 4.120 0.008 0.000 0.250 505 V C 1.672 177.811 176.094 0.075 0.000 1.061 505 V CA 2.281 64.608 62.300 0.045 0.000 1.064 505 V CB -1.077 30.732 31.823 -0.023 0.000 0.670 505 V HN 0.859 nan 8.190 nan 0.000 0.461 506 D N -0.170 120.276 120.400 0.077 0.000 2.264 506 D HA -0.058 4.586 4.640 0.008 0.000 0.208 506 D C 0.338 176.679 176.300 0.068 0.000 0.966 506 D CA 0.569 54.608 54.000 0.065 0.000 0.864 506 D CB -0.319 40.517 40.800 0.060 0.000 0.933 506 D HN 0.518 nan 8.370 nan 0.000 0.499 507 D N 2.606 123.070 120.400 0.106 0.000 2.342 507 D HA 0.049 4.694 4.640 0.008 0.000 0.260 507 D C 0.670 176.983 176.300 0.021 0.000 1.278 507 D CA 0.293 54.347 54.000 0.090 0.000 0.910 507 D CB 0.809 41.727 40.800 0.196 0.000 1.079 507 D HN -0.007 nan 8.370 nan 0.000 0.496 508 K N 2.242 122.585 120.400 -0.096 0.000 2.295 508 K HA 0.028 4.353 4.320 0.008 0.000 0.270 508 K C 1.054 177.510 176.600 -0.241 0.000 1.011 508 K CA -0.264 55.898 56.287 -0.208 0.000 0.953 508 K CB 0.934 33.167 32.500 -0.445 0.000 0.956 508 K HN 0.239 nan 8.250 nan 0.000 0.477 509 E N 0.953 121.071 120.200 -0.136 0.000 2.160 509 E HA -0.202 4.152 4.350 0.008 0.000 0.195 509 E C 1.753 178.328 176.600 -0.042 0.000 0.991 509 E CA 1.391 57.752 56.400 -0.065 0.000 0.810 509 E CB -0.200 29.492 29.700 -0.013 0.000 0.742 509 E HN 0.591 nan 8.360 nan 0.000 0.466 510 H N -1.462 117.629 119.070 0.034 0.000 2.521 510 H HA 0.168 4.727 4.556 0.006 0.000 0.286 510 H C 1.262 176.615 175.328 0.041 0.000 1.034 510 H CA 1.225 57.291 56.048 0.030 0.000 1.278 510 H CB 0.050 29.827 29.762 0.025 0.000 1.386 510 H HN -0.006 nan 8.280 nan 0.000 0.567 511 S N 0.762 116.387 115.700 -0.126 0.000 2.496 511 S HA 0.177 4.651 4.470 0.008 0.000 0.224 511 S C 1.009 175.642 174.600 0.054 0.000 0.996 511 S CA -0.016 58.183 58.200 -0.001 0.000 0.927 511 S CB 0.111 63.285 63.200 -0.044 0.000 0.774 511 S HN 0.262 nan 8.310 nan 0.000 0.524 512 I N 2.474 123.077 120.570 0.055 0.000 2.321 512 I HA 0.342 4.516 4.170 0.008 0.000 0.291 512 I C -0.249 175.916 176.117 0.079 0.000 0.998 512 I CA -0.495 60.870 61.300 0.109 0.000 1.227 512 I CB 0.959 39.035 38.000 0.128 0.000 1.368 512 I HN -0.158 nan 8.210 nan 0.000 0.466 513 K N 5.525 125.974 120.400 0.082 0.000 2.385 513 K HA 0.744 5.069 4.320 0.008 0.000 0.248 513 K C -1.124 175.511 176.600 0.059 0.000 0.955 513 K CA -0.834 55.485 56.287 0.053 0.000 0.816 513 K CB 3.037 35.555 32.500 0.030 0.000 1.250 513 K HN 0.242 nan 8.250 nan 0.000 0.434 514 V N 0.888 120.825 119.914 0.038 0.000 2.709 514 V HA 0.505 4.630 4.120 0.008 0.000 0.308 514 V C -0.438 175.661 176.094 0.008 0.000 1.062 514 V CA -0.811 61.513 62.300 0.040 0.000 0.901 514 V CB 1.920 33.769 31.823 0.043 0.000 1.003 514 V HN 0.916 nan 8.190 nan 0.000 0.425 515 S N 3.891 119.592 115.700 0.002 0.000 2.526 515 S HA 0.939 5.414 4.470 0.008 0.000 0.293 515 S C -0.823 173.741 174.600 -0.062 0.000 1.092 515 S CA -0.538 57.636 58.200 -0.043 0.000 0.980 515 S CB 1.998 65.160 63.200 -0.063 0.000 1.048 515 S HN 1.408 nan 8.310 nan 0.000 0.483 516 V N -0.903 118.941 119.914 -0.117 0.000 3.040 516 V HA 0.927 5.051 4.120 0.008 0.000 0.312 516 V C 1.020 176.926 176.094 -0.315 0.000 1.115 516 V CA -0.320 61.895 62.300 -0.143 0.000 0.998 516 V CB 0.531 32.330 31.823 -0.040 0.000 1.042 516 V HN 2.117 nan 8.190 nan 0.000 0.433 517 G N 0.421 108.966 108.800 -0.424 0.000 2.180 517 G HA2 0.074 4.039 3.960 0.008 0.000 0.263 517 G HA3 0.074 4.039 3.960 0.008 0.000 0.263 517 G C 1.497 175.887 174.900 -0.850 0.000 0.989 517 G CA 0.886 45.684 45.100 -0.503 0.000 0.692 517 G HN 2.956 nan 8.290 nan 0.000 0.526 518 G N -1.071 106.883 108.800 -1.410 0.000 2.246 518 G HA2 -0.175 3.789 3.960 0.008 0.000 0.273 518 G HA3 -0.175 3.789 3.960 0.008 0.000 0.273 518 G C -0.046 174.628 174.900 -0.377 0.000 1.055 518 G CA 0.924 45.475 45.100 -0.915 0.000 0.851 518 G HN 1.035 nan 8.290 nan 0.000 0.500 519 E N -0.817 119.196 120.200 -0.312 0.000 2.204 519 E HA 0.419 4.774 4.350 0.008 0.000 0.276 519 E C 1.145 177.670 176.600 -0.124 0.000 0.974 519 E CA -0.661 55.634 56.400 -0.175 0.000 0.815 519 E CB 1.573 31.183 29.700 -0.150 0.000 1.119 519 E HN 0.198 nan 8.360 nan 0.000 0.393 520 K N 2.434 122.784 120.400 -0.083 0.000 2.057 520 K HA -0.125 4.200 4.320 0.008 0.000 0.207 520 K C 0.809 177.377 176.600 -0.053 0.000 1.049 520 K CA 0.801 57.054 56.287 -0.057 0.000 0.931 520 K CB 0.115 32.592 32.500 -0.040 0.000 0.714 520 K HN 0.339 nan 8.250 nan 0.000 0.440 521 R N 2.158 122.625 120.500 -0.054 0.000 2.486 521 R HA -0.109 4.236 4.340 0.008 0.000 0.304 521 R C -1.173 175.098 176.300 -0.048 0.000 0.913 521 R CA 0.735 56.807 56.100 -0.048 0.000 1.124 521 R CB -0.022 30.247 30.300 -0.052 0.000 0.891 521 R HN 0.255 nan 8.270 nan 0.000 0.410 522 D N 4.384 124.763 120.400 -0.034 0.000 2.192 522 D HA 0.254 4.898 4.640 0.008 0.000 0.246 522 D C -0.465 175.823 176.300 -0.020 0.000 1.042 522 D CA -0.584 53.401 54.000 -0.027 0.000 0.847 522 D CB 1.062 41.852 40.800 -0.017 0.000 1.186 522 D HN 0.325 nan 8.370 nan 0.000 0.461 523 L N 1.025 122.237 121.223 -0.019 0.000 2.334 523 L HA 0.340 4.685 4.340 0.008 0.000 0.277 523 L C 0.930 177.795 176.870 -0.008 0.000 1.075 523 L CA -0.892 53.936 54.840 -0.021 0.000 0.804 523 L CB 1.046 43.087 42.059 -0.031 0.000 1.174 523 L HN 0.509 nan 8.230 nan 0.000 0.438 524 E N 2.684 122.879 120.200 -0.009 0.000 2.354 524 E HA 0.293 4.647 4.350 0.008 0.000 0.269 524 E C -0.694 175.900 176.600 -0.010 0.000 1.036 524 E CA -0.475 55.925 56.400 0.001 0.000 0.876 524 E CB 1.208 30.911 29.700 0.004 0.000 1.009 524 E HN 0.475 nan 8.360 nan 0.000 0.416 525 I N 0.273 120.838 120.570 -0.009 0.000 2.822 525 I HA 0.340 4.515 4.170 0.008 0.000 0.312 525 I C 0.673 176.770 176.117 -0.034 0.000 1.011 525 I CA -0.462 60.818 61.300 -0.033 0.000 1.105 525 I CB 1.816 39.788 38.000 -0.046 0.000 1.291 525 I HN 0.647 nan 8.210 nan 0.000 0.474 526 E N 2.573 122.737 120.200 -0.059 0.000 2.132 526 E HA 0.216 4.571 4.350 0.008 0.000 0.193 526 E C -0.316 176.251 176.600 -0.054 0.000 0.951 526 E CA 0.391 56.758 56.400 -0.054 0.000 0.843 526 E CB 1.050 30.704 29.700 -0.077 0.000 0.807 526 E HN 0.545 nan 8.360 nan 0.000 0.467 527 V N 0.231 120.098 119.914 -0.079 0.000 3.225 527 V HA 0.309 4.433 4.120 0.008 0.000 0.293 527 V C -1.770 174.246 176.094 -0.130 0.000 1.405 527 V CA -0.830 61.428 62.300 -0.071 0.000 1.038 527 V CB 2.259 34.065 31.823 -0.028 0.000 1.123 527 V HN -0.075 nan 8.190 nan 0.000 0.447 528 V N 5.451 125.256 119.914 -0.181 0.000 2.417 528 V HA 0.562 4.686 4.120 0.008 0.000 0.291 528 V C -0.447 175.505 176.094 -0.237 0.000 1.024 528 V CA -0.505 61.574 62.300 -0.367 0.000 0.861 528 V CB 1.461 32.795 31.823 -0.814 0.000 0.985 528 V HN 0.659 nan 8.190 nan 0.000 0.436 529 L N 5.466 126.610 121.223 -0.133 0.000 2.280 529 L HA 0.574 4.919 4.340 0.008 0.000 0.287 529 L C -0.658 176.283 176.870 0.119 0.000 1.023 529 L CA -0.097 54.808 54.840 0.108 0.000 0.819 529 L CB 0.854 43.042 42.059 0.215 0.000 1.212 529 L HN 0.430 nan 8.230 nan 0.000 0.420 530 F N 0.467 120.523 119.950 0.177 0.000 2.379 530 F HA 0.262 4.798 4.527 0.014 0.000 0.332 530 F C 0.880 176.617 175.800 -0.105 0.000 1.096 530 F CA -0.592 57.442 58.000 0.058 0.000 1.105 530 F CB 0.573 39.613 39.000 0.067 0.000 1.189 530 F HN 0.426 nan 8.300 nan 0.000 0.515 531 H N 4.960 123.744 119.070 -0.476 0.000 3.125 531 H HA 0.007 4.567 4.556 0.007 0.000 0.310 531 H C -1.473 173.678 175.328 -0.294 0.000 0.980 531 H CA -0.927 54.562 56.048 -0.932 0.000 1.422 531 H CB 0.853 30.094 29.762 -0.868 0.000 1.432 531 H HN 0.239 nan 8.280 nan 0.000 0.577 532 P HA -0.130 nan 4.420 nan 0.000 0.225 532 P C 0.107 177.382 177.300 -0.041 0.000 1.148 532 P CA 1.054 64.077 63.100 -0.129 0.000 0.779 532 P CB 0.417 32.022 31.700 -0.158 0.000 0.780 533 N N -1.895 116.832 118.700 0.044 0.000 2.280 533 N HA -0.003 4.741 4.740 0.008 0.000 0.192 533 N C 0.188 175.705 175.510 0.013 0.000 1.109 533 N CA -0.173 52.801 53.050 -0.127 0.000 0.855 533 N CB -0.656 37.389 38.487 -0.736 0.000 0.974 533 N HN 0.224 nan 8.380 nan 0.000 0.482 534 Y N 1.609 121.915 120.300 0.009 0.000 2.442 534 Y HA 0.335 4.888 4.550 0.005 0.000 0.330 534 Y C -0.357 175.555 175.900 0.019 0.000 1.129 534 Y CA -0.273 57.854 58.100 0.045 0.000 1.365 534 Y CB 0.309 38.831 38.460 0.102 0.000 1.233 534 Y HN -0.091 nan 8.280 nan 0.000 0.529 535 N N 6.604 124.918 118.700 -0.642 0.000 2.664 535 N HA 0.064 4.808 4.740 0.008 0.000 0.268 535 N C -0.093 175.075 175.510 -0.570 0.000 1.222 535 N CA -0.422 52.303 53.050 -0.543 0.000 0.805 535 N CB 0.534 38.916 38.487 -0.175 0.000 1.399 535 N HN 0.800 nan 8.380 nan 0.000 0.547 536 I N 2.480 122.576 120.570 -0.789 0.000 2.264 536 I HA -0.098 4.076 4.170 0.008 0.000 0.248 536 I C 0.866 176.851 176.117 -0.219 0.000 1.111 536 I CA 1.444 62.472 61.300 -0.453 0.000 1.382 536 I CB 0.077 37.926 38.000 -0.251 0.000 1.060 536 I HN 0.467 nan 8.210 nan 0.000 0.418 537 N N 1.153 119.747 118.700 -0.176 0.000 2.362 537 N HA 0.162 4.907 4.740 0.008 0.000 0.211 537 N C 1.013 176.470 175.510 -0.089 0.000 1.170 537 N CA 0.809 53.793 53.050 -0.111 0.000 0.828 537 N CB -0.103 38.327 38.487 -0.095 0.000 1.034 537 N HN 0.543 nan 8.380 nan 0.000 0.475 538 G N 1.916 110.686 108.800 -0.050 0.000 2.574 538 G HA2 -0.410 3.555 3.960 0.008 0.000 0.286 538 G HA3 -0.410 3.555 3.960 0.008 0.000 0.286 538 G C 0.219 175.027 174.900 -0.152 0.000 1.212 538 G CA 0.594 45.642 45.100 -0.087 0.000 0.979 538 G HN 0.293 nan 8.290 nan 0.000 0.557 539 K N -1.700 118.567 120.400 -0.221 0.000 3.573 539 K HA -0.199 4.125 4.320 0.008 0.000 0.280 539 K C 1.731 178.214 176.600 -0.195 0.000 1.257 539 K CA 1.769 57.876 56.287 -0.299 0.000 0.990 539 K CB -1.104 31.030 32.500 -0.611 0.000 1.297 539 K HN 0.545 nan 8.250 nan 0.000 0.488 540 K N 1.364 121.685 120.400 -0.132 0.000 2.062 540 K HA -0.077 4.248 4.320 0.008 0.000 0.205 540 K C 1.352 177.900 176.600 -0.087 0.000 1.051 540 K CA 1.262 57.491 56.287 -0.095 0.000 0.941 540 K CB 0.153 32.607 32.500 -0.076 0.000 0.719 540 K HN 0.151 nan 8.250 nan 0.000 0.440 541 E N -0.144 120.003 120.200 -0.088 0.000 2.338 541 E HA -0.107 4.248 4.350 0.008 0.000 0.197 541 E C 1.216 177.766 176.600 -0.083 0.000 1.007 541 E CA 0.606 56.961 56.400 -0.076 0.000 0.849 541 E CB 0.166 29.824 29.700 -0.069 0.000 0.774 541 E HN 0.293 nan 8.360 nan 0.000 0.506 542 A N 0.160 122.915 122.820 -0.109 0.000 2.307 542 A HA 0.380 4.705 4.320 0.008 0.000 0.218 542 A C 1.476 178.995 177.584 -0.107 0.000 1.228 542 A CA 0.677 52.644 52.037 -0.117 0.000 0.857 542 A CB -0.161 18.744 19.000 -0.159 0.000 0.897 542 A HN 0.211 nan 8.150 nan 0.000 0.495 543 G N -0.846 107.901 108.800 -0.088 0.000 2.132 543 G HA2 -0.196 3.768 3.960 0.008 0.000 0.228 543 G HA3 -0.196 3.768 3.960 0.008 0.000 0.228 543 G C -0.076 174.790 174.900 -0.056 0.000 1.000 543 G CA 0.255 45.315 45.100 -0.065 0.000 0.693 543 G HN 0.500 nan 8.290 nan 0.000 0.515 544 I N 0.577 121.102 120.570 -0.075 0.000 2.420 544 I HA 0.288 4.463 4.170 0.008 0.000 0.282 544 I C -1.427 174.679 176.117 -0.020 0.000 1.019 544 I CA -2.551 58.724 61.300 -0.042 0.000 1.130 544 I CB 2.348 40.260 38.000 -0.147 0.000 1.262 544 I HN -0.138 nan 8.210 nan 0.000 0.454 545 P HA 0.012 nan 4.420 nan 0.000 0.220 545 P C -0.257 177.006 177.300 -0.062 0.000 1.152 545 P CA 1.051 64.133 63.100 -0.029 0.000 0.812 545 P CB 0.357 32.037 31.700 -0.033 0.000 0.792 546 E N -1.191 118.977 120.200 -0.053 0.000 2.234 546 E HA 0.499 4.853 4.350 0.008 0.000 0.266 546 E C -1.580 174.936 176.600 -0.140 0.000 0.877 546 E CA -0.556 55.710 56.400 -0.225 0.000 0.758 546 E CB 1.302 30.766 29.700 -0.393 0.000 1.170 546 E HN -0.165 nan 8.360 nan 0.000 0.415 547 F N 3.341 123.025 119.950 -0.444 0.000 2.500 547 F HA 0.330 4.860 4.527 0.005 0.000 0.349 547 F C -0.941 174.689 175.800 -0.284 0.000 1.127 547 F CA -0.828 56.992 58.000 -0.301 0.000 0.998 547 F CB 0.465 39.341 39.000 -0.205 0.000 1.237 547 F HN 0.549 nan 8.300 nan 0.000 0.439 548 Y N 1.488 121.609 120.300 -0.298 0.000 2.461 548 Y HA 0.116 4.672 4.550 0.010 0.000 0.277 548 Y C 0.923 176.874 175.900 0.084 0.000 1.182 548 Y CA -0.258 57.845 58.100 0.005 0.000 1.276 548 Y CB -0.422 38.081 38.460 0.071 0.000 1.087 548 Y HN 0.436 nan 8.280 nan 0.000 0.519 549 D N -0.071 120.092 120.400 -0.396 0.000 2.525 549 D HA -0.180 4.464 4.640 0.008 0.000 0.235 549 D C -0.170 176.085 176.300 -0.076 0.000 1.137 549 D CA 0.952 54.717 54.000 -0.392 0.000 0.868 549 D CB 0.148 40.494 40.800 -0.756 0.000 1.180 549 D HN 0.283 nan 8.370 nan 0.000 0.465 550 Y N 0.302 120.436 120.300 -0.276 0.000 3.589 550 Y HA -0.266 4.289 4.550 0.008 0.000 0.218 550 Y C 0.540 176.378 175.900 -0.103 0.000 1.234 550 Y CA 0.692 58.598 58.100 -0.322 0.000 1.576 550 Y CB -1.547 36.633 38.460 -0.467 0.000 1.487 550 Y HN 0.402 nan 8.280 nan 0.000 0.616 551 D N 1.307 121.756 120.400 0.081 0.000 2.801 551 D HA 0.364 5.009 4.640 0.008 0.000 0.232 551 D C -0.245 176.053 176.300 -0.003 0.000 1.128 551 D CA 0.271 54.343 54.000 0.120 0.000 1.003 551 D CB -0.423 40.643 40.800 0.443 0.000 1.110 551 D HN 0.182 nan 8.370 nan 0.000 0.477 552 V N -1.261 118.590 119.914 -0.104 0.000 2.876 552 V HA 1.000 5.125 4.120 0.008 0.000 0.312 552 V C -0.471 175.562 176.094 -0.101 0.000 1.085 552 V CA -1.143 61.127 62.300 -0.049 0.000 0.945 552 V CB 1.450 33.291 31.823 0.030 0.000 1.017 552 V HN 0.233 nan 8.190 nan 0.000 0.428 553 A N 3.820 126.700 122.820 0.101 0.000 2.572 553 A HA 0.911 5.235 4.320 0.008 0.000 0.295 553 A C -1.383 176.373 177.584 0.287 0.000 1.072 553 A CA -0.732 51.386 52.037 0.136 0.000 0.691 553 A CB 1.861 20.741 19.000 -0.200 0.000 1.291 553 A HN 1.018 nan 8.150 nan 0.000 0.404 554 L N 1.869 123.265 121.223 0.288 0.000 2.322 554 L HA 0.525 4.869 4.340 0.008 0.000 0.281 554 L C -0.784 176.154 176.870 0.112 0.000 1.014 554 L CA -0.393 54.576 54.840 0.215 0.000 0.815 554 L CB 1.680 43.819 42.059 0.134 0.000 1.247 554 L HN 0.606 nan 8.230 nan 0.000 0.421 555 I N 3.665 124.297 120.570 0.103 0.000 2.325 555 I HA 0.214 4.388 4.170 0.008 0.000 0.291 555 I C 0.189 176.291 176.117 -0.025 0.000 1.019 555 I CA -0.261 61.029 61.300 -0.017 0.000 1.302 555 I CB 1.040 39.026 38.000 -0.023 0.000 1.401 555 I HN 0.494 nan 8.210 nan 0.000 0.485 556 K N 7.406 127.703 120.400 -0.172 0.000 2.248 556 K HA 0.475 4.800 4.320 0.008 0.000 0.281 556 K C -0.647 175.807 176.600 -0.244 0.000 1.054 556 K CA -0.555 55.444 56.287 -0.481 0.000 0.903 556 K CB 0.749 32.914 32.500 -0.557 0.000 1.077 556 K HN 0.533 nan 8.250 nan 0.000 0.474 557 L N 3.886 124.995 121.223 -0.191 0.000 2.453 557 L HA 0.119 4.464 4.340 0.008 0.000 0.261 557 L C 1.445 178.309 176.870 -0.009 0.000 1.179 557 L CA -0.365 54.429 54.840 -0.078 0.000 0.813 557 L CB 0.537 42.545 42.059 -0.085 0.000 1.110 557 L HN 0.644 nan 8.230 nan 0.000 0.466 558 K N 0.884 121.278 120.400 -0.010 0.000 2.057 558 K HA 0.008 4.332 4.320 0.008 0.000 0.206 558 K C 0.304 176.944 176.600 0.067 0.000 1.050 558 K CA 1.167 57.465 56.287 0.018 0.000 0.935 558 K CB 0.181 32.680 32.500 -0.001 0.000 0.715 558 K HN 0.506 nan 8.250 nan 0.000 0.439 559 N N 0.409 119.105 118.700 -0.007 0.000 2.404 559 N HA 0.118 4.862 4.740 0.008 0.000 0.297 559 N C -1.179 174.139 175.510 -0.319 0.000 1.163 559 N CA -0.549 52.456 53.050 -0.075 0.000 0.864 559 N CB 1.521 39.959 38.487 -0.080 0.000 1.247 559 N HN -0.050 nan 8.380 nan 0.000 0.510 560 K N 1.149 121.263 120.400 -0.477 0.000 2.368 560 K HA 0.234 4.559 4.320 0.008 0.000 0.282 560 K C -0.213 176.118 176.600 -0.447 0.000 1.035 560 K CA -0.299 55.518 56.287 -0.784 0.000 0.973 560 K CB 0.512 32.645 32.500 -0.611 0.000 0.957 560 K HN 0.406 nan 8.250 nan 0.000 0.474 561 L N 4.206 125.162 121.223 -0.445 0.000 2.416 561 L HA 0.132 4.477 4.340 0.008 0.000 0.272 561 L C 0.458 177.116 176.870 -0.354 0.000 1.161 561 L CA 0.025 54.684 54.840 -0.300 0.000 0.845 561 L CB 0.613 42.550 42.059 -0.203 0.000 1.119 561 L HN 0.561 nan 8.230 nan 0.000 0.464 562 K N 3.389 123.659 120.400 -0.217 0.000 2.262 562 K HA 0.218 4.543 4.320 0.008 0.000 0.282 562 K C -0.880 175.689 176.600 -0.052 0.000 1.066 562 K CA -0.612 55.571 56.287 -0.174 0.000 0.901 562 K CB 0.482 32.924 32.500 -0.096 0.000 1.089 562 K HN 0.221 nan 8.250 nan 0.000 0.476 563 Y N 1.667 121.950 120.300 -0.028 0.000 2.426 563 Y HA 0.375 4.930 4.550 0.007 0.000 0.344 563 Y C 1.273 177.170 175.900 -0.005 0.000 1.256 563 Y CA 0.238 58.334 58.100 -0.007 0.000 1.451 563 Y CB 1.166 39.634 38.460 0.014 0.000 1.342 563 Y HN 0.828 nan 8.280 nan 0.000 0.600 564 G N 0.175 109.084 108.800 0.182 0.000 2.554 564 G HA2 0.172 4.137 3.960 0.008 0.000 0.306 564 G HA3 0.172 4.137 3.960 0.008 0.000 0.306 564 G C -0.421 174.521 174.900 0.070 0.000 1.320 564 G CA -0.672 44.481 45.100 0.089 0.000 0.800 564 G HN 0.300 nan 8.290 nan 0.000 0.481 565 Q N -0.411 119.420 119.800 0.052 0.000 2.291 565 Q HA -0.049 4.296 4.340 0.008 0.000 0.205 565 Q C 2.231 178.219 176.000 -0.019 0.000 0.970 565 Q CA 1.915 57.772 55.803 0.090 0.000 0.876 565 Q CB -0.134 28.673 28.738 0.114 0.000 0.935 565 Q HN 0.727 nan 8.270 nan 0.000 0.455 566 T N -3.313 111.161 114.554 -0.133 0.000 3.054 566 T HA 0.381 4.735 4.350 0.008 0.000 0.255 566 T C 0.721 175.375 174.700 -0.076 0.000 1.035 566 T CA -0.149 61.830 62.100 -0.201 0.000 0.941 566 T CB 0.203 68.885 68.868 -0.309 0.000 1.026 566 T HN -0.014 nan 8.240 nan 0.000 0.533 567 I N 1.692 122.252 120.570 -0.017 0.000 2.517 567 I HA 0.516 4.690 4.170 0.008 0.000 0.280 567 I C -0.580 175.564 176.117 0.045 0.000 1.061 567 I CA -0.814 60.512 61.300 0.042 0.000 1.091 567 I CB 1.515 39.566 38.000 0.086 0.000 1.205 567 I HN -0.030 nan 8.210 nan 0.000 0.459 568 R N 5.936 126.412 120.500 -0.040 0.000 2.740 568 R HA 0.545 4.889 4.340 0.008 0.000 0.273 568 R C -2.924 173.271 176.300 -0.176 0.000 0.998 568 R CA -1.816 54.130 56.100 -0.256 0.000 0.900 568 R CB 2.652 32.894 30.300 -0.096 0.000 1.223 568 R HN 0.168 nan 8.270 nan 0.000 0.466 569 P HA 0.195 nan 4.420 nan 0.000 0.278 569 P C -0.492 176.814 177.300 0.009 0.000 1.238 569 P CA -0.308 62.730 63.100 -0.103 0.000 0.794 569 P CB 1.002 32.616 31.700 -0.143 0.000 0.955 570 I N 2.170 122.759 120.570 0.032 0.000 2.662 570 I HA 0.148 4.322 4.170 0.008 0.000 0.291 570 I C -0.009 176.045 176.117 -0.104 0.000 1.046 570 I CA -0.513 60.718 61.300 -0.116 0.000 1.361 570 I CB 0.764 38.546 38.000 -0.363 0.000 1.429 570 I HN 0.342 nan 8.210 nan 0.000 0.558 571 c N 6.835 125.360 118.600 -0.124 0.000 2.593 571 c HA 0.345 4.920 4.570 0.008 0.000 0.409 571 c C 0.310 174.313 174.090 -0.145 0.000 1.304 571 c CA -0.633 55.623 56.329 -0.123 0.000 2.007 571 c CB -0.584 41.861 42.510 -0.108 0.000 2.614 571 c HN 0.488 nan 8.230 nan 0.000 0.585 572 L N 4.476 125.596 121.223 -0.172 0.000 2.344 572 L HA 0.415 4.760 4.340 0.008 0.000 0.272 572 L C -2.090 174.626 176.870 -0.257 0.000 1.035 572 L CA -1.685 53.043 54.840 -0.186 0.000 0.807 572 L CB 1.108 43.072 42.059 -0.158 0.000 1.237 572 L HN 0.329 nan 8.230 nan 0.000 0.442 573 P HA 0.025 nan 4.420 nan 0.000 0.269 573 P C -0.325 176.758 177.300 -0.362 0.000 1.215 573 P CA -0.273 62.533 63.100 -0.491 0.000 0.780 573 P CB 0.333 31.322 31.700 -1.184 0.000 0.898 574 c N 0.410 118.871 118.600 -0.232 0.000 4.300 574 c HA -0.084 4.490 4.570 0.008 0.000 0.304 574 c C 0.753 174.732 174.090 -0.185 0.000 1.367 574 c CA 1.128 57.409 56.329 -0.081 0.000 2.032 574 c CB -3.215 39.320 42.510 0.041 0.000 1.285 574 c HN 0.842 nan 8.230 nan 0.000 0.737 575 T N -4.055 110.320 114.554 -0.297 0.000 2.901 575 T HA 0.549 4.904 4.350 0.008 0.000 0.293 575 T C 0.695 175.275 174.700 -0.200 0.000 1.084 575 T CA -0.073 61.793 62.100 -0.390 0.000 1.008 575 T CB 1.862 70.364 68.868 -0.612 0.000 1.170 575 T HN 0.425 nan 8.240 nan 0.000 0.509 576 E N 1.001 121.107 120.200 -0.157 0.000 2.130 576 E HA -0.151 4.203 4.350 0.008 0.000 0.196 576 E C 2.125 178.664 176.600 -0.102 0.000 0.998 576 E CA 1.788 58.129 56.400 -0.098 0.000 0.806 576 E CB -0.883 28.774 29.700 -0.071 0.000 0.738 576 E HN 0.890 nan 8.360 nan 0.000 0.459 577 G N -0.336 108.386 108.800 -0.130 0.000 2.440 577 G HA2 -0.288 3.677 3.960 0.008 0.000 0.218 577 G HA3 -0.288 3.677 3.960 0.008 0.000 0.218 577 G C 1.604 176.441 174.900 -0.104 0.000 1.154 577 G CA 1.380 46.414 45.100 -0.109 0.000 0.767 577 G HN 0.281 nan 8.290 nan 0.000 0.552 578 T N 0.549 115.029 114.554 -0.123 0.000 2.857 578 T HA -0.046 4.309 4.350 0.008 0.000 0.266 578 T C 2.638 177.289 174.700 -0.081 0.000 1.048 578 T CA 1.549 63.589 62.100 -0.101 0.000 1.139 578 T CB -0.359 68.445 68.868 -0.107 0.000 0.874 578 T HN 0.262 nan 8.240 nan 0.000 0.455 579 T N 1.850 116.359 114.554 -0.075 0.000 2.684 579 T HA -0.097 4.257 4.350 0.008 0.000 0.267 579 T C 2.187 176.839 174.700 -0.080 0.000 1.036 579 T CA 1.189 63.251 62.100 -0.063 0.000 1.148 579 T CB -0.158 68.680 68.868 -0.049 0.000 0.863 579 T HN 0.311 nan 8.240 nan 0.000 0.436 580 R N 0.720 121.172 120.500 -0.081 0.000 2.081 580 R HA 0.040 4.385 4.340 0.008 0.000 0.235 580 R C 2.790 179.016 176.300 -0.123 0.000 1.131 580 R CA 1.240 57.285 56.100 -0.090 0.000 0.960 580 R CB -0.509 29.751 30.300 -0.066 0.000 0.856 580 R HN 0.362 nan 8.270 nan 0.000 0.436 581 A N 0.840 123.594 122.820 -0.110 0.000 1.948 581 A HA -0.152 4.172 4.320 0.008 0.000 0.220 581 A C 1.974 179.455 177.584 -0.171 0.000 1.177 581 A CA 1.329 53.292 52.037 -0.123 0.000 0.636 581 A CB -0.482 18.463 19.000 -0.092 0.000 0.815 581 A HN 0.238 nan 8.150 nan 0.000 0.449 582 L N -1.678 119.454 121.223 -0.152 0.000 2.599 582 L HA 0.042 4.386 4.340 0.008 0.000 0.230 582 L C 0.373 177.117 176.870 -0.210 0.000 1.141 582 L CA -0.140 54.606 54.840 -0.158 0.000 0.877 582 L CB -0.015 41.985 42.059 -0.098 0.000 1.009 582 L HN 0.330 nan 8.230 nan 0.000 0.447 583 R N -0.519 119.827 120.500 -0.256 0.000 3.532 583 R HA -0.127 4.217 4.340 0.008 0.000 0.284 583 R C -0.612 175.599 176.300 -0.149 0.000 1.140 583 R CA 0.548 56.468 56.100 -0.301 0.000 0.768 583 R CB -2.836 27.111 30.300 -0.589 0.000 1.252 583 R HN 0.321 nan 8.270 nan 0.000 0.454 584 L N 0.670 121.829 121.223 -0.106 0.000 2.358 584 L HA 0.566 4.910 4.340 0.008 0.000 0.268 584 L C -1.592 175.251 176.870 -0.046 0.000 1.032 584 L CA -2.255 52.547 54.840 -0.063 0.000 0.805 584 L CB 0.972 42.999 42.059 -0.053 0.000 1.253 584 L HN -0.192 nan 8.230 nan 0.000 0.452 585 P HA 0.131 nan 4.420 nan 0.000 0.272 585 P C -2.130 175.158 177.300 -0.020 0.000 1.223 585 P CA -1.233 61.854 63.100 -0.021 0.000 0.784 585 P CB 0.052 31.743 31.700 -0.015 0.000 0.923 586 P HA -0.158 nan 4.420 nan 0.000 0.221 586 P C 1.048 178.343 177.300 -0.009 0.000 1.145 586 P CA 1.592 64.683 63.100 -0.015 0.000 0.795 586 P CB -0.573 31.120 31.700 -0.011 0.000 0.775 587 T N -4.549 110.001 114.554 -0.006 0.000 3.118 587 T HA -0.004 4.350 4.350 0.008 0.000 0.260 587 T C 0.810 175.511 174.700 0.001 0.000 1.139 587 T CA 0.172 62.271 62.100 -0.001 0.000 1.085 587 T CB -1.556 67.312 68.868 -0.001 0.000 0.934 587 T HN -0.022 nan 8.240 nan 0.000 0.518 588 T N 4.108 118.660 114.554 -0.003 0.000 2.891 588 T HA 0.228 4.582 4.350 0.008 0.000 0.296 588 T C 0.769 175.476 174.700 0.012 0.000 1.025 588 T CA 0.567 62.667 62.100 0.000 0.000 1.149 588 T CB 0.400 69.263 68.868 -0.008 0.000 1.007 588 T HN 0.716 nan 8.240 nan 0.000 0.528 589 T N -0.128 114.438 114.554 0.021 0.000 2.912 589 T HA 0.195 4.550 4.350 0.008 0.000 0.280 589 T C 1.737 176.474 174.700 0.062 0.000 0.989 589 T CA -0.905 61.218 62.100 0.037 0.000 0.995 589 T CB 0.948 69.837 68.868 0.035 0.000 1.077 589 T HN 0.704 nan 8.240 nan 0.000 0.531 590 c N 0.502 119.157 118.600 0.092 0.000 2.429 590 c HA -0.073 4.502 4.570 0.008 0.000 0.277 590 c C 2.782 176.971 174.090 0.165 0.000 1.262 590 c CA 1.041 57.468 56.329 0.164 0.000 1.733 590 c CB -1.463 41.155 42.510 0.179 0.000 2.010 590 c HN 0.907 nan 8.230 nan 0.000 0.483 591 Q N 0.199 120.052 119.800 0.087 0.000 2.124 591 Q HA -0.202 4.142 4.340 0.008 0.000 0.202 591 Q C 2.259 178.256 176.000 -0.005 0.000 0.977 591 Q CA 1.804 57.622 55.803 0.025 0.000 0.850 591 Q CB -0.470 28.277 28.738 0.015 0.000 0.901 591 Q HN 0.770 nan 8.270 nan 0.000 0.429 592 Q N -0.191 119.617 119.800 0.014 0.000 2.124 592 Q HA -0.179 4.165 4.340 0.008 0.000 0.202 592 Q C 2.142 178.143 176.000 0.001 0.000 0.977 592 Q CA 1.164 56.967 55.803 -0.001 0.000 0.850 592 Q CB 0.003 28.743 28.738 0.003 0.000 0.901 592 Q HN 0.448 nan 8.270 nan 0.000 0.429 593 Q N 0.518 120.348 119.800 0.050 0.000 2.046 593 Q HA -0.185 4.160 4.340 0.008 0.000 0.200 593 Q C 2.022 178.048 176.000 0.044 0.000 0.975 593 Q CA 1.187 57.050 55.803 0.099 0.000 0.836 593 Q CB -0.101 28.763 28.738 0.210 0.000 0.896 593 Q HN 0.179 nan 8.270 nan 0.000 0.428 594 K N 1.222 121.541 120.400 -0.134 0.000 2.063 594 K HA -0.207 4.118 4.320 0.008 0.000 0.208 594 K C 1.732 178.131 176.600 -0.335 0.000 1.048 594 K CA 1.528 57.419 56.287 -0.660 0.000 0.928 594 K CB 0.110 32.120 32.500 -0.818 0.000 0.713 594 K HN 0.165 nan 8.250 nan 0.000 0.442 595 E N -0.088 120.004 120.200 -0.180 0.000 2.110 595 E HA -0.220 4.134 4.350 0.008 0.000 0.193 595 E C 1.912 178.459 176.600 -0.088 0.000 0.988 595 E CA 1.342 57.672 56.400 -0.117 0.000 0.804 595 E CB 0.045 29.700 29.700 -0.074 0.000 0.745 595 E HN 0.322 nan 8.360 nan 0.000 0.458 596 E N 0.355 120.514 120.200 -0.068 0.000 2.152 596 E HA -0.070 4.284 4.350 0.008 0.000 0.192 596 E C 1.711 178.284 176.600 -0.045 0.000 0.983 596 E CA 0.728 57.100 56.400 -0.048 0.000 0.818 596 E CB 0.204 29.885 29.700 -0.031 0.000 0.758 596 E HN 0.171 nan 8.360 nan 0.000 0.467 597 L N -0.914 120.281 121.223 -0.046 0.000 2.362 597 L HA 0.212 4.556 4.340 0.008 0.000 0.204 597 L C 0.560 177.405 176.870 -0.041 0.000 1.060 597 L CA 0.260 55.094 54.840 -0.010 0.000 0.827 597 L CB 0.374 42.495 42.059 0.104 0.000 1.027 597 L HN 0.019 nan 8.230 nan 0.000 0.474 598 L N 1.918 123.066 121.223 -0.124 0.000 2.679 598 L HA 0.330 4.675 4.340 0.008 0.000 0.238 598 L C -2.262 174.535 176.870 -0.123 0.000 1.330 598 L CA -1.503 53.264 54.840 -0.121 0.000 0.935 598 L CB 0.494 42.449 42.059 -0.173 0.000 1.243 598 L HN -0.056 nan 8.230 nan 0.000 0.484 599 P HA 0.051 nan 4.420 nan 0.000 0.274 599 P C -0.019 177.252 177.300 -0.048 0.000 1.260 599 P CA -0.422 62.638 63.100 -0.067 0.000 0.793 599 P CB 1.186 32.857 31.700 -0.049 0.000 1.048 600 A N 1.012 123.807 122.820 -0.041 0.000 3.063 600 A HA 0.176 4.500 4.320 0.008 0.000 0.263 600 A C 0.460 178.030 177.584 -0.023 0.000 1.736 600 A CA 0.132 52.152 52.037 -0.029 0.000 1.408 600 A CB -1.063 17.921 19.000 -0.027 0.000 1.108 600 A HN 0.492 nan 8.150 nan 0.000 0.621 601 Q N -0.218 119.571 119.800 -0.017 0.000 2.857 601 Q HA 0.280 4.625 4.340 0.008 0.000 0.319 601 Q C -1.526 174.479 176.000 0.008 0.000 0.963 601 Q CA -1.169 54.627 55.803 -0.011 0.000 0.770 601 Q CB 1.118 29.852 28.738 -0.007 0.000 1.492 601 Q HN 0.425 nan 8.270 nan 0.000 0.493 602 D N 1.623 122.033 120.400 0.017 0.000 2.336 602 D HA 0.266 4.910 4.640 0.008 0.000 0.249 602 D C -0.654 175.746 176.300 0.167 0.000 1.213 602 D CA 0.291 54.338 54.000 0.077 0.000 0.870 602 D CB 0.389 41.196 40.800 0.011 0.000 1.076 602 D HN 0.270 nan 8.370 nan 0.000 0.483 603 I N 2.008 122.660 120.570 0.137 0.000 2.315 603 I HA 0.109 4.284 4.170 0.008 0.000 0.291 603 I C 0.922 177.033 176.117 -0.011 0.000 1.006 603 I CA -0.709 60.633 61.300 0.070 0.000 1.265 603 I CB 1.182 39.189 38.000 0.012 0.000 1.387 603 I HN -0.061 nan 8.210 nan 0.000 0.475 604 K N 5.813 126.152 120.400 -0.102 0.000 2.416 604 K HA 0.565 4.890 4.320 0.008 0.000 0.283 604 K C -0.573 175.864 176.600 -0.271 0.000 1.037 604 K CA 0.063 56.071 56.287 -0.464 0.000 0.995 604 K CB 0.626 32.950 32.500 -0.294 0.000 0.938 604 K HN 0.842 nan 8.250 nan 0.000 0.475 605 A N 3.735 126.371 122.820 -0.307 0.000 2.567 605 A HA 0.728 5.052 4.320 0.008 0.000 0.289 605 A C -1.650 175.873 177.584 -0.101 0.000 1.177 605 A CA -0.906 51.050 52.037 -0.136 0.000 0.694 605 A CB 0.998 19.939 19.000 -0.099 0.000 1.292 605 A HN 0.658 nan 8.150 nan 0.000 0.425 606 L N -2.166 119.049 121.223 -0.013 0.000 2.469 606 L HA 1.016 5.360 4.340 0.008 0.000 0.256 606 L C -0.810 176.128 176.870 0.113 0.000 1.006 606 L CA -0.697 54.144 54.840 0.001 0.000 0.832 606 L CB 1.586 43.641 42.059 -0.007 0.000 1.421 606 L HN 1.107 nan 8.230 nan 0.000 0.410 607 F N -0.710 119.245 119.950 0.010 0.000 2.640 607 F HA 0.960 5.492 4.527 0.008 0.000 0.324 607 F C -1.132 174.707 175.800 0.065 0.000 1.077 607 F CA -1.444 56.580 58.000 0.040 0.000 0.965 607 F CB 1.467 40.489 39.000 0.037 0.000 1.351 607 F HN 0.311 nan 8.300 nan 0.000 0.487 608 V N 1.638 121.671 119.914 0.198 0.000 2.427 608 V HA 0.585 4.710 4.120 0.008 0.000 0.286 608 V C -0.368 175.832 176.094 0.177 0.000 1.034 608 V CA -0.441 61.897 62.300 0.063 0.000 0.893 608 V CB 1.047 32.910 31.823 0.066 0.000 0.982 608 V HN 0.914 nan 8.190 nan 0.000 0.452 609 S N 3.327 119.059 115.700 0.053 0.000 2.513 609 S HA 0.490 4.964 4.470 0.008 0.000 0.299 609 S C -0.762 173.869 174.600 0.051 0.000 1.087 609 S CA -0.622 57.660 58.200 0.136 0.000 1.012 609 S CB 1.501 64.791 63.200 0.150 0.000 1.044 609 S HN 0.846 nan 8.310 nan 0.000 0.485 610 E N 2.607 122.850 120.200 0.073 0.000 2.151 610 E HA 0.265 4.620 4.350 0.008 0.000 0.275 610 E C -1.115 175.517 176.600 0.053 0.000 0.936 610 E CA -0.220 56.206 56.400 0.044 0.000 0.777 610 E CB 1.003 30.737 29.700 0.056 0.000 1.108 610 E HN 0.701 nan 8.360 nan 0.000 0.401 611 E N 4.752 124.974 120.200 0.036 0.000 2.402 611 E HA 0.118 4.472 4.350 0.008 0.000 0.244 611 E C -1.135 175.487 176.600 0.036 0.000 0.945 611 E CA -0.175 56.249 56.400 0.040 0.000 0.774 611 E CB 0.438 30.159 29.700 0.036 0.000 1.296 611 E HN 0.672 nan 8.360 nan 0.000 0.414 612 E N 3.094 123.320 120.200 0.043 0.000 2.372 612 E HA -0.255 4.099 4.350 0.008 0.000 0.254 612 E C 0.215 176.841 176.600 0.043 0.000 1.102 612 E CA 0.692 57.118 56.400 0.043 0.000 0.740 612 E CB -0.847 28.876 29.700 0.039 0.000 1.292 612 E HN 0.761 nan 8.360 nan 0.000 0.394 613 K N -1.015 119.414 120.400 0.049 0.000 3.612 613 K HA -0.211 4.113 4.320 0.008 0.000 0.274 613 K C -0.471 176.154 176.600 0.042 0.000 1.123 613 K CA 2.239 58.561 56.287 0.058 0.000 1.059 613 K CB -0.593 31.943 32.500 0.060 0.000 1.330 613 K HN 0.340 nan 8.250 nan 0.000 0.477 614 K N 0.955 121.366 120.400 0.019 0.000 2.276 614 K HA 0.308 4.632 4.320 0.008 0.000 0.283 614 K C -0.185 176.387 176.600 -0.047 0.000 1.044 614 K CA -0.288 55.991 56.287 -0.014 0.000 0.944 614 K CB 0.672 33.167 32.500 -0.007 0.000 1.012 614 K HN 0.075 nan 8.250 nan 0.000 0.472 615 L N 3.133 124.287 121.223 -0.115 0.000 2.264 615 L HA 0.276 4.620 4.340 0.008 0.000 0.289 615 L C 0.399 177.186 176.870 -0.138 0.000 1.044 615 L CA -0.560 54.184 54.840 -0.159 0.000 0.807 615 L CB 1.173 43.040 42.059 -0.320 0.000 1.192 615 L HN 0.724 nan 8.230 nan 0.000 0.425 616 T N 0.358 114.848 114.554 -0.108 0.000 2.863 616 T HA 0.531 4.885 4.350 0.008 0.000 0.285 616 T C -0.112 174.500 174.700 -0.147 0.000 1.009 616 T CA -1.056 60.977 62.100 -0.110 0.000 0.989 616 T CB 1.522 70.342 68.868 -0.079 0.000 1.004 616 T HN 0.465 nan 8.240 nan 0.000 0.455 617 R N 2.267 122.683 120.500 -0.140 0.000 2.389 617 R HA 0.383 4.727 4.340 0.008 0.000 0.295 617 R C -0.033 176.131 176.300 -0.227 0.000 1.075 617 R CA -0.592 55.408 56.100 -0.167 0.000 1.005 617 R CB 0.578 30.829 30.300 -0.081 0.000 0.987 617 R HN 0.457 nan 8.270 nan 0.000 0.452 618 K N 3.150 123.292 120.400 -0.431 0.000 2.483 618 K HA 0.098 4.423 4.320 0.008 0.000 0.256 618 K C -0.541 175.838 176.600 -0.368 0.000 0.961 618 K CA -0.483 55.519 56.287 -0.475 0.000 0.873 618 K CB 1.975 33.943 32.500 -0.887 0.000 1.107 618 K HN 0.618 nan 8.250 nan 0.000 0.432 619 E N 2.878 122.991 120.200 -0.145 0.000 2.316 619 E HA 0.238 4.592 4.350 0.008 0.000 0.275 619 E C -0.394 176.197 176.600 -0.015 0.000 1.029 619 E CA -0.596 55.751 56.400 -0.089 0.000 0.871 619 E CB 0.803 30.473 29.700 -0.050 0.000 1.022 619 E HN 0.327 nan 8.360 nan 0.000 0.418 620 V N 1.757 121.641 119.914 -0.049 0.000 3.141 620 V HA 0.565 4.690 4.120 0.008 0.000 0.312 620 V C -1.420 174.584 176.094 -0.149 0.000 1.157 620 V CA -1.045 61.298 62.300 0.072 0.000 1.041 620 V CB 1.258 33.202 31.823 0.203 0.000 1.071 620 V HN 0.673 nan 8.190 nan 0.000 0.441 621 Y N 0.895 121.244 120.300 0.081 0.000 2.331 621 Y HA 0.679 5.234 4.550 0.008 0.000 0.334 621 Y C 0.176 176.084 175.900 0.014 0.000 0.960 621 Y CA -0.684 57.450 58.100 0.056 0.000 1.130 621 Y CB 1.898 40.405 38.460 0.078 0.000 1.164 621 Y HN 0.535 nan 8.280 nan 0.000 0.458 622 I N 5.145 125.774 120.570 0.097 0.000 2.396 622 I HA 0.138 4.313 4.170 0.008 0.000 0.289 622 I C -0.288 175.866 176.117 0.062 0.000 1.056 622 I CA -0.683 60.649 61.300 0.054 0.000 1.365 622 I CB 0.465 38.477 38.000 0.020 0.000 1.407 622 I HN 0.356 nan 8.210 nan 0.000 0.509 623 K N 5.645 126.066 120.400 0.036 0.000 2.171 623 K HA 0.118 4.443 4.320 0.008 0.000 0.274 623 K C 0.106 176.719 176.600 0.022 0.000 1.110 623 K CA 0.063 56.361 56.287 0.017 0.000 0.952 623 K CB -0.126 32.370 32.500 -0.007 0.000 1.309 623 K HN 0.438 nan 8.250 nan 0.000 0.414 624 N N 0.809 119.521 118.700 0.019 0.000 2.187 624 N HA 0.082 4.826 4.740 0.008 0.000 0.212 624 N C 0.535 176.047 175.510 0.002 0.000 1.152 624 N CA -0.042 53.017 53.050 0.014 0.000 0.872 624 N CB 0.755 39.246 38.487 0.007 0.000 1.025 624 N HN 0.540 nan 8.380 nan 0.000 0.514 625 G N -0.369 108.429 108.800 -0.004 0.000 3.310 625 G HA2 0.027 3.991 3.960 0.008 0.000 0.176 625 G HA3 0.027 3.991 3.960 0.008 0.000 0.176 625 G C 0.475 175.368 174.900 -0.010 0.000 1.307 625 G CA 0.231 45.323 45.100 -0.012 0.000 0.935 625 G HN 0.320 nan 8.290 nan 0.000 0.628 626 D N 0.136 120.525 120.400 -0.019 0.000 2.263 626 D HA -0.091 4.553 4.640 0.008 0.000 0.208 626 D C 1.566 177.857 176.300 -0.014 0.000 0.971 626 D CA 0.815 54.805 54.000 -0.016 0.000 0.867 626 D CB -0.039 40.746 40.800 -0.024 0.000 0.929 626 D HN 0.389 nan 8.370 nan 0.000 0.492 627 K N 0.292 120.679 120.400 -0.021 0.000 2.426 627 K HA 0.017 4.342 4.320 0.008 0.000 0.193 627 K C 2.071 178.672 176.600 0.000 0.000 1.028 627 K CA -0.116 56.159 56.287 -0.021 0.000 1.047 627 K CB 0.308 32.781 32.500 -0.046 0.000 0.821 627 K HN 0.076 nan 8.250 nan 0.000 0.513 628 K N 1.168 121.575 120.400 0.013 0.000 2.020 628 K HA -0.172 4.153 4.320 0.008 0.000 0.212 628 K C 2.071 178.705 176.600 0.056 0.000 1.050 628 K CA 1.800 58.109 56.287 0.037 0.000 0.929 628 K CB -0.300 32.225 32.500 0.042 0.000 0.714 628 K HN 0.220 nan 8.250 nan 0.000 0.443 629 G N 0.400 109.228 108.800 0.046 0.000 2.446 629 G HA2 -0.320 3.645 3.960 0.008 0.000 0.217 629 G HA3 -0.320 3.645 3.960 0.008 0.000 0.217 629 G C 1.568 176.504 174.900 0.061 0.000 1.168 629 G CA 1.433 46.565 45.100 0.053 0.000 0.771 629 G HN 0.540 nan 8.290 nan 0.000 0.551 630 S N -0.738 114.990 115.700 0.047 0.000 2.406 630 S HA -0.141 4.333 4.470 0.008 0.000 0.228 630 S C 2.364 177.009 174.600 0.074 0.000 1.020 630 S CA 1.237 59.470 58.200 0.055 0.000 0.965 630 S CB -0.892 62.328 63.200 0.034 0.000 0.798 630 S HN 0.387 nan 8.310 nan 0.000 0.488 631 c N 2.301 120.935 118.600 0.055 0.000 2.436 631 c HA -0.032 4.543 4.570 0.008 0.000 0.277 631 c C 2.767 176.948 174.090 0.151 0.000 1.241 631 c CA 1.368 57.722 56.329 0.042 0.000 1.721 631 c CB -1.383 41.115 42.510 -0.020 0.000 2.043 631 c HN 0.705 nan 8.230 nan 0.000 0.472 632 E N -0.149 120.174 120.200 0.206 0.000 2.118 632 E HA -0.229 4.126 4.350 0.008 0.000 0.195 632 E C 2.328 179.062 176.600 0.224 0.000 0.992 632 E CA 1.173 57.755 56.400 0.303 0.000 0.804 632 E CB -0.260 29.558 29.700 0.197 0.000 0.741 632 E HN 0.624 nan 8.360 nan 0.000 0.458 633 R N 0.772 121.363 120.500 0.152 0.000 2.148 633 R HA -0.107 4.238 4.340 0.008 0.000 0.227 633 R C 1.398 177.784 176.300 0.143 0.000 1.103 633 R CA 0.943 57.107 56.100 0.107 0.000 0.983 633 R CB -0.067 30.276 30.300 0.072 0.000 0.874 633 R HN 0.138 nan 8.270 nan 0.000 0.451 634 D N 0.705 121.251 120.400 0.243 0.000 2.384 634 D HA -0.075 4.569 4.640 0.008 0.000 0.222 634 D C 1.526 178.060 176.300 0.390 0.000 0.976 634 D CA 0.701 54.924 54.000 0.372 0.000 0.915 634 D CB 0.022 41.029 40.800 0.346 0.000 0.896 634 D HN 0.231 nan 8.370 nan 0.000 0.523 635 A N 1.241 124.272 122.820 0.352 0.000 2.019 635 A HA -0.249 4.076 4.320 0.008 0.000 0.219 635 A C 2.146 179.906 177.584 0.293 0.000 1.164 635 A CA 1.519 53.789 52.037 0.388 0.000 0.644 635 A CB -0.634 18.516 19.000 0.249 0.000 0.805 635 A HN 0.429 nan 8.150 nan 0.000 0.449 636 Q N -1.778 118.062 119.800 0.066 0.000 2.234 636 Q HA -0.222 4.122 4.340 0.008 0.000 0.206 636 Q C 1.339 177.245 176.000 -0.157 0.000 0.980 636 Q CA 1.857 57.599 55.803 -0.102 0.000 0.869 636 Q CB -0.643 27.913 28.738 -0.303 0.000 0.912 636 Q HN 0.698 nan 8.270 nan 0.000 0.436 637 Y N 1.133 121.461 120.300 0.046 0.000 2.561 637 Y HA 0.280 4.835 4.550 0.007 0.000 0.291 637 Y C 1.321 177.247 175.900 0.043 0.000 1.141 637 Y CA -0.010 58.063 58.100 -0.044 0.000 1.303 637 Y CB -0.167 38.129 38.460 -0.273 0.000 1.015 637 Y HN 0.205 nan 8.280 nan 0.000 0.547 638 A N 1.558 124.526 122.820 0.247 0.000 2.445 638 A HA 0.302 4.626 4.320 0.008 0.000 0.242 638 A C -2.381 175.199 177.584 -0.006 0.000 1.075 638 A CA -1.273 50.856 52.037 0.153 0.000 0.777 638 A CB -0.347 18.780 19.000 0.213 0.000 1.013 638 A HN -0.009 nan 8.150 nan 0.000 0.493 639 P HA 0.401 nan 4.420 nan 0.000 0.281 639 P C 0.902 178.089 177.300 -0.188 0.000 1.252 639 P CA 1.194 64.248 63.100 -0.078 0.000 0.778 639 P CB 1.117 32.791 31.700 -0.043 0.000 0.895 640 G N 2.381 111.123 108.800 -0.097 0.000 2.258 640 G HA2 -0.301 3.663 3.960 0.008 0.000 0.233 640 G HA3 -0.301 3.663 3.960 0.008 0.000 0.233 640 G C 0.392 175.356 174.900 0.106 0.000 1.006 640 G CA -0.259 44.801 45.100 -0.066 0.000 0.620 640 G HN 0.431 nan 8.290 nan 0.000 0.511 641 Y N 2.226 122.498 120.300 -0.046 0.000 2.493 641 Y HA 0.270 4.824 4.550 0.006 0.000 0.275 641 Y C 1.976 177.835 175.900 -0.068 0.000 1.183 641 Y CA -0.080 57.980 58.100 -0.065 0.000 1.258 641 Y CB -0.360 38.062 38.460 -0.063 0.000 1.108 641 Y HN 0.582 nan 8.280 nan 0.000 0.521 642 D N -0.833 119.615 120.400 0.081 0.000 2.269 642 D HA -0.096 4.548 4.640 0.008 0.000 0.208 642 D C 1.401 177.689 176.300 -0.021 0.000 0.963 642 D CA 1.056 55.058 54.000 0.003 0.000 0.864 642 D CB -0.057 40.741 40.800 -0.003 0.000 0.936 642 D HN 0.112 nan 8.370 nan 0.000 0.505 643 K N 0.313 120.709 120.400 -0.006 0.000 2.367 643 K HA 0.142 4.466 4.320 0.008 0.000 0.194 643 K C -0.121 176.453 176.600 -0.043 0.000 1.027 643 K CA -0.108 56.164 56.287 -0.026 0.000 1.075 643 K CB 1.038 33.526 32.500 -0.020 0.000 0.845 643 K HN 0.059 nan 8.250 nan 0.000 0.529 644 V N 3.187 123.073 119.914 -0.048 0.000 2.458 644 V HA -0.067 4.057 4.120 0.008 0.000 0.287 644 V C 1.162 177.205 176.094 -0.084 0.000 1.009 644 V CA 0.614 62.861 62.300 -0.089 0.000 1.091 644 V CB 0.513 32.248 31.823 -0.148 0.000 0.960 644 V HN 0.235 nan 8.190 nan 0.000 0.476 645 K N 2.427 122.780 120.400 -0.079 0.000 2.031 645 K HA -0.041 4.284 4.320 0.008 0.000 0.205 645 K C 0.642 177.202 176.600 -0.068 0.000 1.049 645 K CA 1.004 57.250 56.287 -0.067 0.000 0.939 645 K CB 0.107 32.572 32.500 -0.058 0.000 0.717 645 K HN 0.679 nan 8.250 nan 0.000 0.438 646 D N 0.149 120.502 120.400 -0.078 0.000 2.414 646 D HA 0.085 4.729 4.640 0.008 0.000 0.232 646 D C 0.281 176.529 176.300 -0.087 0.000 1.070 646 D CA -0.375 53.584 54.000 -0.069 0.000 0.839 646 D CB 1.243 42.007 40.800 -0.061 0.000 1.079 646 D HN -0.141 nan 8.370 nan 0.000 0.521 647 I N 3.096 123.622 120.570 -0.073 0.000 2.493 647 I HA -0.194 3.981 4.170 0.008 0.000 0.254 647 I C 2.077 178.147 176.117 -0.078 0.000 1.160 647 I CA 1.264 62.512 61.300 -0.086 0.000 1.445 647 I CB -0.138 37.833 38.000 -0.048 0.000 1.086 647 I HN 0.481 nan 8.210 nan 0.000 0.433 648 S N -0.279 115.397 115.700 -0.039 0.000 2.442 648 S HA -0.143 4.331 4.470 0.008 0.000 0.236 648 S C 1.707 176.307 174.600 -0.000 0.000 1.007 648 S CA 0.857 59.055 58.200 -0.003 0.000 0.965 648 S CB -0.543 62.664 63.200 0.012 0.000 0.773 648 S HN 0.478 nan 8.310 nan 0.000 0.504 649 E N 1.251 121.414 120.200 -0.061 0.000 2.338 649 E HA -0.034 4.321 4.350 0.008 0.000 0.197 649 E C 2.163 178.720 176.600 -0.073 0.000 1.007 649 E CA 1.271 57.613 56.400 -0.096 0.000 0.849 649 E CB -0.217 29.380 29.700 -0.172 0.000 0.774 649 E HN 0.787 nan 8.360 nan 0.000 0.506 650 V N -3.071 116.768 119.914 -0.126 0.000 3.484 650 V HA 0.177 4.302 4.120 0.008 0.000 0.252 650 V C 0.953 176.995 176.094 -0.086 0.000 1.282 650 V CA -0.193 61.996 62.300 -0.186 0.000 1.104 650 V CB 0.553 31.873 31.823 -0.839 0.000 0.868 650 V HN -0.134 nan 8.190 nan 0.000 0.457 651 V N 3.815 123.685 119.914 -0.073 0.000 2.294 651 V HA 0.545 4.670 4.120 0.008 0.000 0.272 651 V C 0.542 176.732 176.094 0.161 0.000 1.027 651 V CA 0.476 62.739 62.300 -0.061 0.000 0.823 651 V CB 0.416 32.142 31.823 -0.162 0.000 1.030 651 V HN 0.712 nan 8.190 nan 0.000 0.457 652 T N 2.639 117.431 114.554 0.397 0.000 2.923 652 T HA 0.464 4.819 4.350 0.008 0.000 0.281 652 T C -1.869 172.965 174.700 0.223 0.000 0.995 652 T CA -2.152 60.116 62.100 0.279 0.000 0.985 652 T CB 1.740 70.743 68.868 0.225 0.000 1.114 652 T HN 0.331 nan 8.240 nan 0.000 0.548 653 P HA 0.074 nan 4.420 nan 0.000 0.231 653 P C 1.012 178.295 177.300 -0.028 0.000 1.158 653 P CA 0.455 63.587 63.100 0.053 0.000 0.763 653 P CB -0.001 31.720 31.700 0.035 0.000 0.805 654 R N -1.912 118.481 120.500 -0.179 0.000 2.307 654 R HA 0.105 4.450 4.340 0.008 0.000 0.199 654 R C 0.273 176.349 176.300 -0.374 0.000 1.000 654 R CA 0.395 56.249 56.100 -0.409 0.000 1.023 654 R CB -0.504 29.296 30.300 -0.833 0.000 0.908 654 R HN 0.192 nan 8.270 nan 0.000 0.473 655 F N -0.166 119.802 119.950 0.031 0.000 2.425 655 F HA 0.424 4.954 4.527 0.006 0.000 0.331 655 F C 0.238 176.119 175.800 0.135 0.000 1.085 655 F CA -0.942 57.125 58.000 0.112 0.000 1.028 655 F CB 1.036 40.137 39.000 0.169 0.000 1.177 655 F HN -0.258 nan 8.300 nan 0.000 0.487 656 L N 2.255 123.707 121.223 0.382 0.000 2.330 656 L HA 0.578 4.922 4.340 0.008 0.000 0.271 656 L C -0.997 176.022 176.870 0.249 0.000 1.013 656 L CA -0.787 54.213 54.840 0.266 0.000 0.816 656 L CB 2.050 44.233 42.059 0.207 0.000 1.287 656 L HN 0.593 nan 8.230 nan 0.000 0.435 657 c N 1.618 120.281 118.600 0.105 0.000 2.396 657 c HA 0.804 5.379 4.570 0.008 0.000 0.321 657 c C 0.313 174.356 174.090 -0.078 0.000 1.233 657 c CA -0.157 56.090 56.329 -0.135 0.000 1.440 657 c CB 0.836 43.257 42.510 -0.149 0.000 2.110 657 c HN 0.933 nan 8.230 nan 0.000 0.473 658 T N 2.216 116.697 114.554 -0.122 0.000 2.858 658 T HA 0.961 5.316 4.350 0.008 0.000 0.285 658 T C 0.170 174.802 174.700 -0.114 0.000 1.052 658 T CA 0.346 62.431 62.100 -0.025 0.000 1.009 658 T CB 1.222 70.157 68.868 0.112 0.000 1.241 658 T HN 2.386 nan 8.240 nan 0.000 0.542 659 G N -1.276 107.509 108.800 -0.025 0.000 2.631 659 G HA2 0.469 4.433 3.960 0.008 0.000 0.504 659 G HA3 0.469 4.433 3.960 0.008 0.000 0.504 659 G C 0.310 175.176 174.900 -0.056 0.000 1.306 659 G CA 0.169 45.238 45.100 -0.052 0.000 0.897 659 G HN 2.803 nan 8.290 nan 0.000 0.520 660 G N -3.027 105.734 108.800 -0.066 0.000 2.796 660 G HA2 0.286 4.250 3.960 0.008 0.000 0.571 660 G HA3 0.286 4.250 3.960 0.008 0.000 0.571 660 G C 0.977 175.841 174.900 -0.061 0.000 1.370 660 G CA 1.375 46.434 45.100 -0.070 0.000 0.856 660 G HN 2.417 nan 8.290 nan 0.000 0.538 661 V N -3.416 116.451 119.914 -0.078 0.000 3.621 661 V HA 0.695 4.819 4.120 0.008 0.000 0.285 661 V C 0.892 176.913 176.094 -0.122 0.000 1.346 661 V CA 1.371 63.620 62.300 -0.085 0.000 1.104 661 V CB 0.541 32.314 31.823 -0.084 0.000 0.913 661 V HN 1.724 nan 8.190 nan 0.000 0.432 662 S N 1.425 117.038 115.700 -0.145 0.000 2.594 662 S HA 0.632 5.107 4.470 0.008 0.000 0.296 662 S C -1.837 172.593 174.600 -0.283 0.000 1.124 662 S CA -0.934 57.134 58.200 -0.220 0.000 1.011 662 S CB 2.226 65.331 63.200 -0.159 0.000 1.016 662 S HN 0.232 nan 8.310 nan 0.000 0.485 663 P HA 0.073 nan 4.420 nan 0.000 0.225 663 P C -0.622 176.187 177.300 -0.817 0.000 1.156 663 P CA 0.900 63.528 63.100 -0.787 0.000 0.787 663 P CB 0.007 30.953 31.700 -1.257 0.000 0.802 664 Y N -0.940 119.192 120.300 -0.280 0.000 2.576 664 Y HA 0.606 5.160 4.550 0.007 0.000 0.346 664 Y C 0.361 176.151 175.900 -0.183 0.000 1.018 664 Y CA -2.445 55.490 58.100 -0.275 0.000 1.050 664 Y CB 0.440 38.680 38.460 -0.366 0.000 1.280 664 Y HN -0.228 nan 8.280 nan 0.000 0.474 665 A N 1.699 124.507 122.820 -0.020 0.000 2.489 665 A HA 0.241 4.566 4.320 0.008 0.000 0.289 665 A C -0.654 176.946 177.584 0.026 0.000 1.216 665 A CA -0.175 51.838 52.037 -0.039 0.000 0.883 665 A CB -0.944 17.999 19.000 -0.095 0.000 1.110 665 A HN 0.617 nan 8.150 nan 0.000 0.523 666 D N 3.614 124.051 120.400 0.062 0.000 2.304 666 D HA 0.439 5.084 4.640 0.008 0.000 0.250 666 D C -1.914 174.450 176.300 0.106 0.000 1.107 666 D CA -0.915 53.159 54.000 0.123 0.000 0.885 666 D CB 0.986 41.864 40.800 0.130 0.000 1.192 666 D HN 0.360 nan 8.370 nan 0.000 0.436 667 P HA 0.200 nan 4.420 nan 0.000 0.274 667 P C -0.886 176.552 177.300 0.230 0.000 1.237 667 P CA -0.446 62.756 63.100 0.169 0.000 0.793 667 P CB 0.899 32.698 31.700 0.164 0.000 0.977 668 N N -1.172 117.644 118.700 0.194 0.000 2.404 668 N HA 0.424 5.168 4.740 0.008 0.000 0.297 668 N C -0.426 175.171 175.510 0.146 0.000 1.163 668 N CA -0.613 52.505 53.050 0.114 0.000 0.864 668 N CB 0.887 39.385 38.487 0.019 0.000 1.247 668 N HN 0.398 nan 8.380 nan 0.000 0.510 669 T N -1.831 112.659 114.554 -0.108 0.000 2.913 669 T HA 0.369 4.724 4.350 0.008 0.000 0.297 669 T C 0.154 174.854 174.700 -0.001 0.000 1.029 669 T CA -0.610 61.388 62.100 -0.170 0.000 1.104 669 T CB 0.064 68.683 68.868 -0.416 0.000 0.964 669 T HN 0.354 nan 8.240 nan 0.000 0.532 670 c N 2.628 121.273 118.600 0.076 0.000 2.382 670 c HA 0.498 5.072 4.570 0.008 0.000 0.363 670 c C 2.232 176.355 174.090 0.054 0.000 1.213 670 c CA -0.712 55.659 56.329 0.069 0.000 2.363 670 c CB 0.923 43.491 42.510 0.096 0.000 2.397 670 c HN 1.184 nan 8.230 nan 0.000 0.573 671 R N 1.518 122.050 120.500 0.052 0.000 2.153 671 R HA -0.134 4.211 4.340 0.008 0.000 0.252 671 R C 1.971 178.317 176.300 0.076 0.000 1.158 671 R CA 2.360 58.496 56.100 0.059 0.000 0.975 671 R CB -0.925 29.405 30.300 0.050 0.000 0.871 671 R HN 0.960 nan 8.270 nan 0.000 0.450 672 G N -0.941 107.906 108.800 0.078 0.000 2.534 672 G HA2 -0.151 3.813 3.960 0.008 0.000 0.217 672 G HA3 -0.151 3.813 3.960 0.008 0.000 0.217 672 G C 0.599 175.560 174.900 0.100 0.000 1.128 672 G CA 0.710 45.863 45.100 0.088 0.000 0.784 672 G HN 0.360 nan 8.290 nan 0.000 0.542 673 D N 0.123 120.587 120.400 0.107 0.000 2.349 673 D HA 0.093 4.737 4.640 0.008 0.000 0.215 673 D C 1.303 177.666 176.300 0.104 0.000 1.016 673 D CA 0.079 54.156 54.000 0.127 0.000 0.870 673 D CB 0.231 41.130 40.800 0.165 0.000 0.917 673 D HN 0.152 nan 8.370 nan 0.000 0.524 674 S N -0.655 115.105 115.700 0.100 0.000 2.558 674 S HA 0.293 4.768 4.470 0.008 0.000 0.288 674 S C 1.556 176.218 174.600 0.104 0.000 1.318 674 S CA 0.893 59.175 58.200 0.135 0.000 1.056 674 S CB 0.452 63.790 63.200 0.230 0.000 0.853 674 S HN 0.471 nan 8.310 nan 0.000 0.505 675 G N 2.986 111.858 108.800 0.119 0.000 2.234 675 G HA2 -0.207 3.758 3.960 0.008 0.000 0.260 675 G HA3 -0.207 3.758 3.960 0.008 0.000 0.260 675 G C 0.588 175.560 174.900 0.120 0.000 0.987 675 G CA 0.292 45.438 45.100 0.076 0.000 0.625 675 G HN 1.271 nan 8.290 nan 0.000 0.532 676 G N 0.745 109.627 108.800 0.138 0.000 2.667 676 G HA2 0.543 4.507 3.960 0.008 0.000 0.250 676 G HA3 0.543 4.507 3.960 0.008 0.000 0.250 676 G C -1.839 173.161 174.900 0.167 0.000 1.212 676 G CA -0.187 45.015 45.100 0.170 0.000 0.874 676 G HN 0.326 nan 8.290 nan 0.000 0.561 677 P HA 0.211 nan 4.420 nan 0.000 0.279 677 P C -0.634 176.725 177.300 0.098 0.000 1.239 677 P CA -0.524 62.638 63.100 0.104 0.000 0.789 677 P CB 1.500 33.217 31.700 0.028 0.000 0.933 678 L N 4.657 125.896 121.223 0.026 0.000 2.275 678 L HA 0.485 4.830 4.340 0.008 0.000 0.288 678 L C -0.702 176.143 176.870 -0.041 0.000 1.046 678 L CA -0.237 54.577 54.840 -0.043 0.000 0.805 678 L CB 0.106 42.010 42.059 -0.260 0.000 1.193 678 L HN 0.241 nan 8.230 nan 0.000 0.426 679 I N 5.274 125.833 120.570 -0.019 0.000 2.545 679 I HA 0.435 4.610 4.170 0.008 0.000 0.292 679 I C -0.834 175.283 176.117 0.000 0.000 1.040 679 I CA -0.955 60.325 61.300 -0.032 0.000 1.068 679 I CB 2.194 40.163 38.000 -0.051 0.000 1.251 679 I HN 0.219 nan 8.210 nan 0.000 0.424 680 V N 4.769 124.681 119.914 -0.004 0.000 2.427 680 V HA 0.230 4.354 4.120 0.008 0.000 0.286 680 V C -0.157 175.946 176.094 0.014 0.000 1.034 680 V CA -0.502 61.797 62.300 -0.000 0.000 0.893 680 V CB 1.300 33.116 31.823 -0.013 0.000 0.982 680 V HN 0.667 nan 8.190 nan 0.000 0.452 681 H N 5.582 124.565 119.070 -0.145 0.000 2.685 681 H HA 0.518 5.078 4.556 0.008 0.000 0.286 681 H C -0.403 174.767 175.328 -0.264 0.000 1.102 681 H CA -0.531 55.326 56.048 -0.319 0.000 1.254 681 H CB 0.635 30.215 29.762 -0.304 0.000 1.397 681 H HN 0.632 nan 8.280 nan 0.000 0.473 682 K N 3.875 124.121 120.400 -0.257 0.000 2.468 682 K HA 0.213 4.538 4.320 0.008 0.000 0.252 682 K C -0.158 176.288 176.600 -0.257 0.000 0.932 682 K CA -0.775 55.359 56.287 -0.255 0.000 0.794 682 K CB 0.937 33.349 32.500 -0.147 0.000 1.241 682 K HN 0.586 nan 8.250 nan 0.000 0.428 683 R N 1.764 122.117 120.500 -0.245 0.000 3.525 683 R HA -0.176 4.168 4.340 0.008 0.000 0.276 683 R C -0.357 175.839 176.300 -0.174 0.000 1.116 683 R CA 1.142 57.131 56.100 -0.186 0.000 0.745 683 R CB -3.048 27.130 30.300 -0.203 0.000 1.185 683 R HN 0.948 nan 8.270 nan 0.000 0.454 684 S N -2.302 113.241 115.700 -0.260 0.000 3.018 684 S HA -0.187 4.287 4.470 0.008 0.000 0.274 684 S C 0.153 174.686 174.600 -0.110 0.000 1.300 684 S CA 1.662 59.767 58.200 -0.159 0.000 1.179 684 S CB -0.286 62.894 63.200 -0.033 0.000 1.427 684 S HN 0.461 nan 8.310 nan 0.000 0.668 685 R N -0.625 119.764 120.500 -0.185 0.000 2.854 685 R HA 0.651 4.995 4.340 0.008 0.000 0.271 685 R C -0.994 175.142 176.300 -0.273 0.000 0.996 685 R CA -0.464 55.551 56.100 -0.142 0.000 0.961 685 R CB 0.644 30.901 30.300 -0.070 0.000 1.182 685 R HN 0.169 nan 8.270 nan 0.000 0.479 686 F N 1.558 121.487 119.950 -0.034 0.000 2.402 686 F HA 0.469 5.001 4.527 0.008 0.000 0.355 686 F C 0.214 175.864 175.800 -0.251 0.000 1.123 686 F CA -0.705 57.178 58.000 -0.195 0.000 1.021 686 F CB 1.012 39.728 39.000 -0.474 0.000 1.160 686 F HN 0.176 nan 8.300 nan 0.000 0.451 687 I N 2.551 123.085 120.570 -0.059 0.000 2.406 687 I HA 0.240 4.415 4.170 0.008 0.000 0.290 687 I C -0.250 175.802 176.117 -0.109 0.000 0.999 687 I CA -0.623 60.621 61.300 -0.094 0.000 1.124 687 I CB 1.769 39.733 38.000 -0.060 0.000 1.289 687 I HN 0.525 nan 8.210 nan 0.000 0.441 688 Q N 5.075 124.787 119.800 -0.147 0.000 2.307 688 Q HA 0.259 4.604 4.340 0.008 0.000 0.259 688 Q C 0.504 176.463 176.000 -0.067 0.000 0.998 688 Q CA -0.291 55.439 55.803 -0.122 0.000 0.923 688 Q CB 1.152 29.809 28.738 -0.134 0.000 1.196 688 Q HN 0.746 nan 8.270 nan 0.000 0.416 689 V N 0.831 120.735 119.914 -0.017 0.000 3.661 689 V HA 0.566 4.690 4.120 0.008 0.000 0.271 689 V C 0.437 176.567 176.094 0.060 0.000 1.315 689 V CA 0.599 62.930 62.300 0.052 0.000 1.072 689 V CB 0.436 32.337 31.823 0.130 0.000 0.830 689 V HN 0.618 nan 8.190 nan 0.000 0.443 690 G N -0.712 108.104 108.800 0.028 0.000 2.677 690 G HA2 0.591 4.556 3.960 0.008 0.000 0.291 690 G HA3 0.591 4.556 3.960 0.008 0.000 0.291 690 G C -1.872 173.075 174.900 0.079 0.000 1.435 690 G CA -0.452 44.684 45.100 0.059 0.000 0.826 690 G HN 0.178 nan 8.290 nan 0.000 0.491 691 V N 1.258 121.253 119.914 0.134 0.000 2.448 691 V HA 0.381 4.506 4.120 0.008 0.000 0.295 691 V C 0.260 176.500 176.094 0.242 0.000 1.025 691 V CA -0.625 61.772 62.300 0.162 0.000 0.859 691 V CB 1.522 33.432 31.823 0.145 0.000 0.988 691 V HN 0.653 nan 8.190 nan 0.000 0.431 692 I N 3.613 124.332 120.570 0.249 0.000 2.587 692 I HA 0.050 4.225 4.170 0.008 0.000 0.284 692 I C 1.212 177.449 176.117 0.201 0.000 1.134 692 I CA 0.848 62.304 61.300 0.260 0.000 1.410 692 I CB 1.022 39.108 38.000 0.142 0.000 1.392 692 I HN 0.796 nan 8.210 nan 0.000 0.545 693 S N 7.652 123.425 115.700 0.122 0.000 2.942 693 S HA 0.289 4.763 4.470 0.008 0.000 0.220 693 S C -0.425 174.199 174.600 0.040 0.000 0.945 693 S CA -0.262 58.098 58.200 0.266 0.000 0.851 693 S CB 0.514 64.001 63.200 0.477 0.000 0.820 693 S HN 0.701 nan 8.310 nan 0.000 0.624 694 W N 0.276 121.379 121.300 -0.328 0.000 3.074 694 W HA 0.716 5.382 4.660 0.010 0.000 0.332 694 W C -0.642 175.739 176.519 -0.229 0.000 1.253 694 W CA -0.906 56.148 57.345 -0.484 0.000 1.180 694 W CB 0.439 29.269 29.460 -1.050 0.000 1.445 694 W HN 0.426 nan 8.180 nan 0.000 0.573 695 G N -0.030 108.770 108.800 -0.000 0.000 2.619 695 G HA2 0.474 4.438 3.960 0.008 0.000 0.296 695 G HA3 0.474 4.438 3.960 0.008 0.000 0.296 695 G C -0.468 174.511 174.900 0.132 0.000 1.334 695 G CA -0.653 44.400 45.100 -0.078 0.000 0.934 695 G HN 0.377 nan 8.290 nan 0.000 0.476 696 V N -0.149 119.827 119.914 0.104 0.000 2.379 696 V HA 0.061 4.185 4.120 0.008 0.000 0.245 696 V C 1.038 177.233 176.094 0.168 0.000 1.044 696 V CA 1.732 64.169 62.300 0.229 0.000 1.036 696 V CB -0.389 31.595 31.823 0.268 0.000 0.664 696 V HN 0.793 nan 8.190 nan 0.000 0.453 697 V N -2.100 117.874 119.914 0.100 0.000 2.932 697 V HA 0.562 4.686 4.120 0.008 0.000 0.307 697 V C -1.241 174.872 176.094 0.032 0.000 1.147 697 V CA -1.221 61.125 62.300 0.076 0.000 0.951 697 V CB 1.928 33.805 31.823 0.090 0.000 1.031 697 V HN 0.170 nan 8.190 nan 0.000 0.426 698 D N 2.007 122.425 120.400 0.031 0.000 2.338 698 D HA 0.436 5.080 4.640 0.008 0.000 0.255 698 D C 0.011 176.322 176.300 0.017 0.000 1.237 698 D CA 0.549 54.562 54.000 0.021 0.000 0.883 698 D CB 1.563 42.378 40.800 0.025 0.000 1.087 698 D HN 0.656 nan 8.370 nan 0.000 0.485 699 V N 4.986 124.907 119.914 0.012 0.000 3.265 699 V HA 0.047 4.172 4.120 0.008 0.000 0.346 699 V C 1.525 177.632 176.094 0.021 0.000 1.447 699 V CA -0.295 62.009 62.300 0.006 0.000 1.179 699 V CB -0.238 31.575 31.823 -0.018 0.000 1.103 699 V HN 0.831 nan 8.190 nan 0.000 0.530 700 c N 1.144 119.763 118.600 0.033 0.000 2.386 700 c HA -0.105 4.469 4.570 0.008 0.000 0.279 700 c C 2.194 176.318 174.090 0.056 0.000 1.208 700 c CA 1.761 58.123 56.329 0.054 0.000 1.747 700 c CB -0.432 42.115 42.510 0.062 0.000 2.046 700 c HN 0.603 nan 8.230 nan 0.000 0.453 701 K N 1.040 121.467 120.400 0.046 0.000 2.520 701 K HA 0.143 4.468 4.320 0.008 0.000 0.205 701 K C 0.918 177.539 176.600 0.035 0.000 1.035 701 K CA 0.057 56.370 56.287 0.043 0.000 1.188 701 K CB -0.420 32.105 32.500 0.041 0.000 0.894 701 K HN 0.460 nan 8.250 nan 0.000 0.497 702 N N 0.535 119.254 118.700 0.031 0.000 2.520 702 N HA -0.155 4.590 4.740 0.008 0.000 0.185 702 N C 1.353 176.883 175.510 0.033 0.000 1.068 702 N CA 0.452 53.516 53.050 0.025 0.000 0.911 702 N CB 0.037 38.532 38.487 0.013 0.000 0.961 702 N HN 0.236 nan 8.380 nan 0.000 0.446 703 Q N 1.526 121.352 119.800 0.043 0.000 1.906 703 Q HA -0.158 4.187 4.340 0.008 0.000 0.221 703 Q C 1.048 177.077 176.000 0.047 0.000 1.021 703 Q CA 1.899 57.733 55.803 0.053 0.000 0.880 703 Q CB -0.191 28.580 28.738 0.057 0.000 0.966 703 Q HN 0.209 nan 8.270 nan 0.000 0.418 704 K N -0.705 119.720 120.400 0.041 0.000 2.684 704 K HA 0.179 4.504 4.320 0.008 0.000 0.215 704 K C 0.923 177.543 176.600 0.033 0.000 1.073 704 K CA 0.001 56.310 56.287 0.038 0.000 1.197 704 K CB 0.193 32.714 32.500 0.036 0.000 0.955 704 K HN 0.209 nan 8.250 nan 0.000 0.473 705 R N -0.157 120.362 120.500 0.032 0.000 2.769 705 R HA 0.085 4.429 4.340 0.008 0.000 0.191 705 R C -0.913 175.400 176.300 0.023 0.000 0.881 705 R CA 0.149 56.265 56.100 0.026 0.000 1.133 705 R CB 0.664 30.979 30.300 0.025 0.000 1.607 705 R HN 0.222 nan 8.270 nan 0.000 0.613 706 Q N 1.424 121.238 119.800 0.024 0.000 3.149 706 Q HA -0.111 4.234 4.340 0.008 0.000 0.055 706 Q C -1.665 174.342 176.000 0.010 0.000 1.662 706 Q CA 0.985 56.799 55.803 0.019 0.000 0.281 706 Q CB -0.229 28.520 28.738 0.020 0.000 0.584 706 Q HN 0.247 nan 8.270 nan 0.000 0.322 707 K N 2.895 123.297 120.400 0.003 0.000 3.186 707 K HA -0.124 4.200 4.320 0.008 0.000 0.992 707 K C -0.964 175.633 176.600 -0.006 0.000 1.173 707 K CA 0.951 57.237 56.287 -0.001 0.000 1.156 707 K CB -0.696 31.812 32.500 0.014 0.000 3.174 707 K HN 0.873 nan 8.250 nan 0.000 0.166 708 Q N -0.526 119.263 119.800 -0.019 0.000 2.468 708 Q HA -0.200 4.145 4.340 0.008 0.000 0.289 708 Q C -0.501 175.471 176.000 -0.045 0.000 1.299 708 Q CA 1.161 56.944 55.803 -0.032 0.000 0.838 708 Q CB -0.910 27.815 28.738 -0.021 0.000 1.195 708 Q HN 0.342 nan 8.270 nan 0.000 0.456 709 V N 1.468 121.350 119.914 -0.054 0.000 2.364 709 V HA 0.332 4.456 4.120 0.008 0.000 0.272 709 V C -1.504 174.504 176.094 -0.144 0.000 1.036 709 V CA -1.383 60.869 62.300 -0.080 0.000 0.880 709 V CB 1.014 32.805 31.823 -0.053 0.000 0.991 709 V HN 0.157 nan 8.190 nan 0.000 0.460 710 P HA 0.216 nan 4.420 nan 0.000 0.269 710 P C 0.623 177.682 177.300 -0.401 0.000 1.215 710 P CA -0.266 62.586 63.100 -0.414 0.000 0.780 710 P CB 0.874 32.099 31.700 -0.793 0.000 0.898 711 A N 1.910 124.533 122.820 -0.329 0.000 2.067 711 A HA -0.165 4.160 4.320 0.008 0.000 0.219 711 A C 1.261 178.755 177.584 -0.151 0.000 1.158 711 A CA 1.360 53.285 52.037 -0.186 0.000 0.661 711 A CB -1.390 17.548 19.000 -0.103 0.000 0.801 711 A HN 0.817 nan 8.150 nan 0.000 0.452 712 H N -2.116 116.875 119.070 -0.132 0.000 2.567 712 H HA 0.635 5.196 4.556 0.007 0.000 0.294 712 H C 0.407 175.698 175.328 -0.062 0.000 1.050 712 H CA -0.011 55.975 56.048 -0.104 0.000 1.168 712 H CB -0.684 28.923 29.762 -0.259 0.000 1.422 712 H HN 0.226 nan 8.280 nan 0.000 0.562 713 A N 2.327 125.052 122.820 -0.159 0.000 2.922 713 A HA 0.305 4.629 4.320 0.008 0.000 0.298 713 A C -0.045 177.473 177.584 -0.110 0.000 1.588 713 A CA -0.822 51.153 52.037 -0.102 0.000 1.288 713 A CB -0.282 18.638 19.000 -0.134 0.000 1.130 713 A HN 0.310 nan 8.150 nan 0.000 0.557 714 R N 1.404 121.822 120.500 -0.137 0.000 2.598 714 R HA 0.522 4.866 4.340 0.008 0.000 0.279 714 R C -1.322 174.672 176.300 -0.510 0.000 0.984 714 R CA -0.674 55.218 56.100 -0.348 0.000 0.999 714 R CB 1.056 31.060 30.300 -0.492 0.000 1.114 714 R HN 0.496 nan 8.270 nan 0.000 0.493 715 D N 1.485 121.488 120.400 -0.661 0.000 2.362 715 D HA 0.369 5.013 4.640 0.008 0.000 0.247 715 D C -0.678 174.902 176.300 -1.201 0.000 1.050 715 D CA -0.237 53.295 54.000 -0.780 0.000 0.839 715 D CB 1.474 41.955 40.800 -0.531 0.000 1.283 715 D HN 0.172 nan 8.370 nan 0.000 0.477 716 F N 1.738 121.050 119.950 -1.064 0.000 2.458 716 F HA 0.311 4.843 4.527 0.008 0.000 0.336 716 F C 0.814 176.186 175.800 -0.712 0.000 1.114 716 F CA -0.555 56.881 58.000 -0.939 0.000 0.987 716 F CB 1.388 39.477 39.000 -1.519 0.000 1.130 716 F HN 0.125 nan 8.300 nan 0.000 0.458 717 H N 3.625 122.818 119.070 0.204 0.000 2.637 717 H HA 0.394 4.954 4.556 0.008 0.000 0.363 717 H C -0.508 174.954 175.328 0.224 0.000 1.131 717 H CA -0.859 55.298 56.048 0.183 0.000 1.183 717 H CB 2.435 32.233 29.762 0.060 0.000 1.637 717 H HN 0.314 nan 8.280 nan 0.000 0.531 718 I N 2.697 123.383 120.570 0.194 0.000 2.452 718 I HA -0.098 4.076 4.170 0.008 0.000 0.287 718 I C 0.934 177.068 176.117 0.030 0.000 1.079 718 I CA -0.174 61.090 61.300 -0.061 0.000 1.387 718 I CB -0.251 37.681 38.000 -0.114 0.000 1.404 718 I HN 0.465 nan 8.210 nan 0.000 0.522 719 N N 6.959 125.661 118.700 0.004 0.000 2.438 719 N HA 0.043 4.788 4.740 0.008 0.000 0.267 719 N C 0.910 176.468 175.510 0.079 0.000 1.222 719 N CA 0.103 53.202 53.050 0.082 0.000 0.930 719 N CB 0.781 39.322 38.487 0.090 0.000 1.083 719 N HN 0.499 nan 8.380 nan 0.000 0.476 720 L N 3.040 124.317 121.223 0.091 0.000 2.201 720 L HA -0.107 4.238 4.340 0.008 0.000 0.212 720 L C 1.351 178.237 176.870 0.026 0.000 1.105 720 L CA 0.797 55.662 54.840 0.041 0.000 0.775 720 L CB -0.340 41.704 42.059 -0.026 0.000 0.913 720 L HN 0.493 nan 8.230 nan 0.000 0.440 721 F N -0.127 119.859 119.950 0.061 0.000 2.494 721 F HA -0.166 4.366 4.527 0.008 0.000 0.298 721 F C 2.391 178.227 175.800 0.060 0.000 1.106 721 F CA 0.801 58.839 58.000 0.063 0.000 1.452 721 F CB -0.120 38.905 39.000 0.042 0.000 1.085 721 F HN 0.143 nan 8.300 nan 0.000 0.569 722 Q N -0.328 119.585 119.800 0.188 0.000 2.356 722 Q HA 0.120 4.465 4.340 0.008 0.000 0.205 722 Q C 1.272 177.341 176.000 0.115 0.000 0.901 722 Q CA 0.568 56.433 55.803 0.102 0.000 0.938 722 Q CB 0.574 29.302 28.738 -0.016 0.000 1.081 722 Q HN 0.392 nan 8.270 nan 0.000 0.517 723 V N -3.133 116.878 119.914 0.162 0.000 2.925 723 V HA 0.241 4.366 4.120 0.008 0.000 0.361 723 V C 1.195 177.475 176.094 0.310 0.000 1.361 723 V CA -0.014 62.462 62.300 0.294 0.000 1.184 723 V CB -0.651 31.351 31.823 0.299 0.000 1.245 723 V HN 0.017 nan 8.190 nan 0.000 0.575 724 L N 0.027 121.366 121.223 0.193 0.000 2.083 724 L HA 0.044 4.389 4.340 0.008 0.000 0.209 724 L C -0.082 176.799 176.870 0.018 0.000 1.083 724 L CA 1.804 56.705 54.840 0.102 0.000 0.752 724 L CB -1.537 40.585 42.059 0.106 0.000 0.899 724 L HN 0.378 nan 8.230 nan 0.000 0.433 725 P HA -0.219 nan 4.420 nan 0.000 0.215 725 P C 1.194 178.497 177.300 0.006 0.000 1.153 725 P CA 1.259 64.375 63.100 0.027 0.000 0.853 725 P CB -0.092 31.659 31.700 0.085 0.000 0.788 726 W N 0.445 121.700 121.300 -0.076 0.000 2.354 726 W HA -0.134 4.529 4.660 0.006 0.000 0.315 726 W C 1.967 178.367 176.519 -0.198 0.000 1.206 726 W CA 1.359 58.617 57.345 -0.146 0.000 1.290 726 W CB -1.043 28.323 29.460 -0.158 0.000 1.152 726 W HN -0.235 nan 8.180 nan 0.000 0.489 727 L N 0.904 121.982 121.223 -0.243 0.000 2.012 727 L HA -0.277 4.067 4.340 0.008 0.000 0.210 727 L C 2.694 179.045 176.870 -0.866 0.000 1.073 727 L CA 2.161 56.655 54.840 -0.577 0.000 0.748 727 L CB -1.074 40.852 42.059 -0.221 0.000 0.891 727 L HN 0.005 nan 8.230 nan 0.000 0.431 728 K N 0.159 119.982 120.400 -0.962 0.000 2.097 728 K HA -0.250 4.075 4.320 0.008 0.000 0.206 728 K C 2.051 178.253 176.600 -0.663 0.000 1.049 728 K CA 1.624 57.183 56.287 -1.212 0.000 0.933 728 K CB -0.006 32.014 32.500 -0.801 0.000 0.717 728 K HN 0.292 nan 8.250 nan 0.000 0.442 729 E N 0.166 120.070 120.200 -0.493 0.000 2.047 729 E HA -0.169 4.185 4.350 0.008 0.000 0.191 729 E C 1.719 178.069 176.600 -0.417 0.000 0.987 729 E CA 1.012 57.195 56.400 -0.362 0.000 0.799 729 E CB 0.229 29.770 29.700 -0.266 0.000 0.752 729 E HN 0.125 nan 8.360 nan 0.000 0.449 730 K N 0.282 120.314 120.400 -0.614 0.000 2.103 730 K HA -0.040 4.285 4.320 0.008 0.000 0.204 730 K C 1.904 178.110 176.600 -0.656 0.000 1.052 730 K CA 0.713 56.613 56.287 -0.645 0.000 0.945 730 K CB -0.128 31.797 32.500 -0.959 0.000 0.722 730 K HN 0.259 nan 8.250 nan 0.000 0.443 731 L N 2.187 123.016 121.223 -0.656 0.000 2.653 731 L HA 0.077 4.421 4.340 0.008 0.000 0.232 731 L C 2.066 178.815 176.870 -0.201 0.000 1.169 731 L CA -0.110 54.445 54.840 -0.476 0.000 0.951 731 L CB -0.303 41.567 42.059 -0.316 0.000 1.181 731 L HN 0.193 nan 8.230 nan 0.000 0.460 732 Q N -0.640 119.031 119.800 -0.215 0.000 2.291 732 Q HA -0.180 4.165 4.340 0.008 0.000 0.206 732 Q C 0.469 176.452 176.000 -0.028 0.000 0.976 732 Q CA 1.401 57.141 55.803 -0.106 0.000 0.875 732 Q CB -0.053 28.609 28.738 -0.126 0.000 0.927 732 Q HN 0.415 nan 8.270 nan 0.000 0.450 733 D N 0.435 120.823 120.400 -0.020 0.000 2.363 733 D HA 0.017 4.661 4.640 0.008 0.000 0.214 733 D C 0.619 176.959 176.300 0.066 0.000 1.093 733 D CA 0.112 54.123 54.000 0.018 0.000 0.837 733 D CB 0.434 41.236 40.800 0.004 0.000 0.948 733 D HN 0.285 nan 8.370 nan 0.000 0.507 734 E N 0.689 120.940 120.200 0.086 0.000 2.479 734 E HA -0.040 4.315 4.350 0.008 0.000 0.193 734 E C 0.030 176.701 176.600 0.119 0.000 1.049 734 E CA 0.060 56.545 56.400 0.143 0.000 0.870 734 E CB 0.160 29.963 29.700 0.173 0.000 0.944 734 E HN 0.083 nan 8.360 nan 0.000 0.492 735 D N -0.072 120.381 120.400 0.089 0.000 2.772 735 D HA -0.196 4.448 4.640 0.008 0.000 0.233 735 D C 0.345 176.675 176.300 0.050 0.000 1.143 735 D CA 0.311 54.352 54.000 0.068 0.000 0.700 735 D CB -1.245 39.594 40.800 0.064 0.000 1.076 735 D HN 0.231 nan 8.370 nan 0.000 0.430 736 L N -0.656 120.597 121.223 0.050 0.000 2.529 736 L HA 0.279 4.624 4.340 0.008 0.000 0.223 736 L C 1.925 178.714 176.870 -0.136 0.000 1.113 736 L CA 0.404 55.211 54.840 -0.055 0.000 0.861 736 L CB -0.129 41.861 42.059 -0.116 0.000 1.012 736 L HN 0.397 nan 8.230 nan 0.000 0.461 737 G N 0.872 109.654 108.800 -0.031 0.000 2.298 737 G HA2 -0.296 3.669 3.960 0.008 0.000 0.287 737 G HA3 -0.296 3.669 3.960 0.008 0.000 0.287 737 G C -0.011 174.853 174.900 -0.061 0.000 1.075 737 G CA -0.403 44.681 45.100 -0.028 0.000 0.960 737 G HN 0.097 nan 8.290 nan 0.000 0.502 738 F N -0.716 119.211 119.950 -0.038 0.000 2.595 738 F HA 0.389 4.921 4.527 0.008 0.000 0.359 738 F C 1.770 177.555 175.800 -0.026 0.000 1.147 738 F CA 0.171 58.146 58.000 -0.043 0.000 1.341 738 F CB 0.401 39.366 39.000 -0.058 0.000 1.104 738 F HN 0.171 nan 8.300 nan 0.000 0.603 739 L N 1.880 123.203 121.223 0.167 0.000 3.011 739 L HA 0.560 4.904 4.340 0.008 0.000 0.185 739 L C 0.364 177.305 176.870 0.118 0.000 1.457 739 L CA -1.310 53.593 54.840 0.104 0.000 1.482 739 L CB -0.180 41.919 42.059 0.067 0.000 2.432 739 L HN 0.580 nan 8.230 nan 0.000 0.546 740 A N -0.323 122.549 122.820 0.087 0.000 2.409 740 A HA 0.497 4.821 4.320 0.008 0.000 0.267 740 A C 0.417 178.057 177.584 0.094 0.000 1.127 740 A CA 0.256 52.339 52.037 0.076 0.000 0.795 740 A CB 0.378 19.413 19.000 0.059 0.000 1.061 740 A HN 0.716 nan 8.150 nan 0.000 0.502 741 A N 1.934 124.801 122.820 0.079 0.000 2.430 741 A HA 0.636 4.961 4.320 0.008 0.000 0.243 741 A C 0.895 178.527 177.584 0.080 0.000 1.254 741 A CA 0.821 52.909 52.037 0.086 0.000 0.914 741 A CB -0.277 18.747 19.000 0.040 0.000 0.998 741 A HN 1.724 nan 8.150 nan 0.000 0.515 742 A N 0.000 122.861 122.820 0.068 0.000 2.254 742 A HA 0.000 4.324 4.320 0.008 0.000 0.244 742 A CA 0.000 52.075 52.037 0.064 0.000 0.836 742 A CB 0.000 19.029 19.000 0.049 0.000 0.831 742 A HN 0.000 nan 8.150 nan 0.000 0.486