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 2wyh_1_A DATA FIRST_RESID -9 DATA SEQUENCE GLEVLFQGPA MATKKVHIIS HSHWDREWYM AYEQHHMRLI NLIDDLLEVF DATA SEQUENCE QTDPDFHSFH LDGQTIILDD YLKVRPEREP EIRQAIASGK LRIGPFYILQ DATA SEQUENCE DDFLTSSESN VRNMLIGKED CDRWGASVPL GYFPDTFGNM GQTPQLMLKA DATA SEQUENCE GLQAAAFGRG IRPTGFNNQV DTSEKYSSQF SEISWQGPDN SRILGLLFAN DATA SEQUENCE WYSNGNEIPT TEAEARLFWD KKLADAERFA STKHLLMMNG CDHQPVQLDV DATA SEQUENCE TKAIALANQL YPDYEFVHSC FEDYLADLAD DLPENLSTVQ GEITSQETDG DATA SEQUENCE WYTLANTASA RIYLKQANTR VSRQLENITE PLAAMAYEVT STYPHDQLRY DATA SEQUENCE AWKTLMQNHP HDSICGCSVD SVHREMMTRF EKAYEVGHYL AKEAAKQIAD DATA SEQUENCE AIDTRDFPMD SQPFVLFNTS GHSKTSVAEL SLTWKKYHFG QRFPKEVYQE DATA SEQUENCE AQEYLARLSQ SFQIIDTSGQ VRPEAEILGT SIAFDYDLPK RSFREPYFAI DATA SEQUENCE KVRLRLPITL PAMSWKTLAL KLGNXXXXXX TVSLYDDSNQ CLENGFLKVM DATA SEQUENCE IQTDGRLTIT DKQSGLIYQD LLRFEDCGDI GNEYISRQPN HDQPFYADQG DATA SEQUENCE TIKLNIISNT AQVAELEIQQ TFAIPISADK LLQAEMEAVI DITERQARRS DATA SEQUENCE QEKAELTLTT LIRMEKNNPR LQFTTRFDNQ MTNHRLRVLF PTHLKTDHHL DATA SEQUENCE ADSIFETVKR PNHPDATFWK NPSNPQHQEC FVSLFDGENG VTIGNYGLNE DATA SEQUENCE YEILPDTNTI AITLLRSVGE MGDWGYFPTP EAQCLGKHSL SYSFESITKQ DATA SEQUENCE TQFASYWRAQ EGQVPVITTQ TNQHEGTLAA EYSYLTGTND QVALTAFKRR DATA SEQUENCE LADNALITRS YNLSNDKTCD FSLSLPNYNA KVTNLLEKDS KQSTPSQLGK DATA SEQUENCE AEILTLAWKK Q 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 -9 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 -9 G C 0.000 174.928 174.900 0.047 0.000 0.946 -9 G CA 0.000 45.118 45.100 0.029 0.000 0.502 -8 L N 2.455 123.719 121.223 0.068 0.000 2.313 -8 L HA 0.346 4.687 4.340 0.001 0.000 0.214 -8 L C 2.936 179.895 176.870 0.148 0.000 1.119 -8 L CA 2.726 57.641 54.840 0.125 0.000 0.809 -8 L CB -0.463 41.669 42.059 0.121 0.000 0.933 -8 L HN 0.484 nan 8.230 nan 0.000 0.449 -7 E N -0.687 119.568 120.200 0.091 0.000 2.265 -7 E HA -0.157 4.194 4.350 0.001 0.000 0.196 -7 E C 2.134 178.764 176.600 0.050 0.000 0.996 -7 E CA 1.597 58.044 56.400 0.079 0.000 0.832 -7 E CB -1.310 28.418 29.700 0.047 0.000 0.756 -7 E HN 0.554 nan 8.360 nan 0.000 0.491 -6 V N -1.018 118.912 119.914 0.026 0.000 2.453 -6 V HA -0.068 4.053 4.120 0.001 0.000 0.247 -6 V C 2.341 178.397 176.094 -0.064 0.000 1.048 -6 V CA 1.549 63.842 62.300 -0.013 0.000 1.049 -6 V CB -0.442 31.372 31.823 -0.014 0.000 0.672 -6 V HN 0.575 nan 8.190 nan 0.000 0.457 -5 L N -3.219 117.941 121.223 -0.105 0.000 2.529 -5 L HA 0.445 4.785 4.340 0.001 0.000 0.223 -5 L C 0.540 177.047 176.870 -0.605 0.000 1.113 -5 L CA 0.753 55.394 54.840 -0.332 0.000 0.861 -5 L CB -1.211 40.611 42.059 -0.395 0.000 1.012 -5 L HN 0.347 nan 8.230 nan 0.000 0.461 -4 F N 1.684 121.632 119.950 -0.003 0.000 2.660 -4 F HA 0.517 5.044 4.527 0.000 0.000 0.352 -4 F C 0.884 176.682 175.800 -0.003 0.000 1.257 -4 F CA -0.661 57.337 58.000 -0.003 0.000 1.200 -4 F CB 0.351 39.349 39.000 -0.002 0.000 1.473 -4 F HN 0.079 nan 8.300 nan 0.000 0.561 -3 Q N 1.020 120.878 119.800 0.096 0.000 2.313 -3 Q HA 0.627 4.968 4.340 0.001 0.000 0.266 -3 Q C 0.476 176.514 176.000 0.064 0.000 0.989 -3 Q CA 0.118 55.957 55.803 0.060 0.000 0.890 -3 Q CB 0.628 29.377 28.738 0.018 0.000 1.200 -3 Q HN 0.711 nan 8.270 nan 0.000 0.396 -2 G N 1.474 110.303 108.800 0.049 0.000 2.613 -2 G HA2 0.750 4.711 3.960 0.001 0.000 0.303 -2 G HA3 0.750 4.711 3.960 0.001 0.000 0.303 -2 G C -1.923 172.988 174.900 0.018 0.000 1.312 -2 G CA -0.933 44.188 45.100 0.035 0.000 1.036 -2 G HN 0.772 nan 8.290 nan 0.000 0.513 -1 P HA 0.357 nan 4.420 nan 0.000 0.265 -1 P C -0.163 177.134 177.300 -0.005 0.000 1.193 -1 P CA -0.084 63.017 63.100 0.001 0.000 0.765 -1 P CB 0.799 32.498 31.700 -0.002 0.000 0.823 0 A N 4.804 127.618 122.820 -0.010 0.000 2.492 0 A HA 0.374 4.694 4.320 0.001 0.000 0.254 0 A C 0.423 177.991 177.584 -0.026 0.000 1.091 0 A CA -0.144 51.883 52.037 -0.017 0.000 0.768 0 A CB -0.331 18.657 19.000 -0.020 0.000 1.028 0 A HN 0.431 nan 8.150 nan 0.000 0.498 1 M N 1.881 121.463 119.600 -0.030 0.000 2.423 1 M HA 0.532 5.013 4.480 0.001 0.000 0.335 1 M C 0.514 176.776 176.300 -0.063 0.000 1.177 1 M CA -0.741 54.534 55.300 -0.042 0.000 1.038 1 M CB 1.140 33.719 32.600 -0.034 0.000 1.641 1 M HN 0.765 nan 8.290 nan 0.000 0.455 2 A N 1.929 124.700 122.820 -0.083 0.000 2.332 2 A HA 0.704 5.025 4.320 0.001 0.000 0.258 2 A C 0.321 177.811 177.584 -0.158 0.000 1.087 2 A CA -0.230 51.737 52.037 -0.116 0.000 0.802 2 A CB 0.163 19.088 19.000 -0.125 0.000 1.042 2 A HN 0.887 nan 8.150 nan 0.000 0.489 3 T N -0.697 113.739 114.554 -0.196 0.000 2.916 3 T HA 0.675 5.025 4.350 0.001 0.000 0.292 3 T C -0.682 173.803 174.700 -0.358 0.000 1.064 3 T CA -1.085 60.850 62.100 -0.274 0.000 1.011 3 T CB 1.403 70.150 68.868 -0.201 0.000 1.152 3 T HN 0.514 nan 8.240 nan 0.000 0.510 4 K N 1.040 121.123 120.400 -0.529 0.000 2.118 4 K HA 0.480 4.801 4.320 0.001 0.000 0.254 4 K C -0.623 175.763 176.600 -0.356 0.000 0.961 4 K CA -0.795 55.213 56.287 -0.464 0.000 0.876 4 K CB 2.177 34.337 32.500 -0.567 0.000 1.077 4 K HN 0.692 nan 8.250 nan 0.000 0.440 5 K N 1.556 121.790 120.400 -0.278 0.000 2.339 5 K HA 0.268 4.588 4.320 0.001 0.000 0.264 5 K C -1.096 175.425 176.600 -0.133 0.000 0.986 5 K CA -0.555 55.602 56.287 -0.217 0.000 0.866 5 K CB 1.138 33.561 32.500 -0.128 0.000 1.103 5 K HN 0.231 nan 8.250 nan 0.000 0.441 6 V N 5.608 125.335 119.914 -0.311 0.000 2.304 6 V HA 0.163 4.284 4.120 0.001 0.000 0.269 6 V C -0.154 175.853 176.094 -0.145 0.000 1.036 6 V CA -0.764 61.373 62.300 -0.270 0.000 0.840 6 V CB 0.490 31.825 31.823 -0.813 0.000 1.036 6 V HN 0.747 nan 8.190 nan 0.000 0.466 7 H N 5.589 124.670 119.070 0.019 0.000 2.864 7 H HA 0.312 4.869 4.556 0.001 0.000 0.281 7 H C -0.372 174.948 175.328 -0.013 0.000 1.093 7 H CA -0.402 55.651 56.048 0.008 0.000 1.453 7 H CB 1.240 31.026 29.762 0.039 0.000 1.462 7 H HN 0.393 nan 8.280 nan 0.000 0.480 8 I N 6.075 126.719 120.570 0.124 0.000 2.297 8 I HA 0.163 4.334 4.170 0.001 0.000 0.291 8 I C 0.612 176.784 176.117 0.092 0.000 1.033 8 I CA -0.224 61.183 61.300 0.178 0.000 1.253 8 I CB 0.452 38.618 38.000 0.275 0.000 1.396 8 I HN 0.410 nan 8.210 nan 0.000 0.476 9 I N 5.307 125.864 120.570 -0.021 0.000 2.328 9 I HA 0.201 4.372 4.170 0.001 0.000 0.287 9 I C 0.458 176.577 176.117 0.003 0.000 1.012 9 I CA -0.263 60.946 61.300 -0.150 0.000 1.195 9 I CB 1.179 38.871 38.000 -0.513 0.000 1.350 9 I HN 0.459 nan 8.210 nan 0.000 0.464 10 S N 5.502 121.222 115.700 0.033 0.000 2.548 10 S HA 0.371 4.842 4.470 0.001 0.000 0.277 10 S C -0.397 173.966 174.600 -0.394 0.000 1.315 10 S CA -0.257 57.975 58.200 0.053 0.000 1.050 10 S CB 0.343 63.766 63.200 0.372 0.000 0.918 10 S HN 0.796 nan 8.310 nan 0.000 0.497 11 H N -0.881 117.836 119.070 -0.588 0.000 2.948 11 H HA 0.760 5.317 4.556 0.001 0.000 0.315 11 H C -1.204 174.017 175.328 -0.177 0.000 1.360 11 H CA -0.937 54.637 56.048 -0.789 0.000 1.125 11 H CB 1.009 30.659 29.762 -0.188 0.000 1.844 11 H HN 0.440 nan 8.280 nan 0.000 0.529 12 S N -0.057 115.673 115.700 0.050 0.000 2.571 12 S HA 0.236 4.707 4.470 0.001 0.000 0.284 12 S C -1.787 173.047 174.600 0.389 0.000 1.128 12 S CA -0.699 57.656 58.200 0.258 0.000 0.970 12 S CB 0.550 64.106 63.200 0.593 0.000 1.039 12 S HN 0.807 nan 8.310 nan 0.000 0.485 13 H N 4.334 123.509 119.070 0.175 0.000 2.911 13 H HA 0.274 4.831 4.556 0.001 0.000 0.273 13 H C -0.877 174.438 175.328 -0.021 0.000 1.157 13 H CA -0.140 55.933 56.048 0.041 0.000 1.402 13 H CB 0.172 29.765 29.762 -0.281 0.000 1.463 13 H HN 0.596 nan 8.280 nan 0.000 0.475 14 W N 7.594 128.678 121.300 -0.361 0.000 2.243 14 W HA 0.182 4.842 4.660 0.001 0.000 0.331 14 W C -0.974 175.340 176.519 -0.342 0.000 0.895 14 W CA -0.914 56.261 57.345 -0.284 0.000 1.580 14 W CB 0.502 29.959 29.460 -0.004 0.000 1.568 14 W HN 0.646 nan 8.180 nan 0.000 0.372 15 D N 3.046 123.048 120.400 -0.662 0.000 2.472 15 D HA -0.105 4.536 4.640 0.001 0.000 0.248 15 D C 1.484 177.684 176.300 -0.168 0.000 1.174 15 D CA 0.531 54.287 54.000 -0.407 0.000 0.883 15 D CB 1.098 41.678 40.800 -0.367 0.000 1.149 15 D HN 0.341 nan 8.370 nan 0.000 0.488 16 R N 2.161 122.620 120.500 -0.068 0.000 2.096 16 R HA -0.148 4.193 4.340 0.001 0.000 0.235 16 R C 0.325 176.689 176.300 0.107 0.000 1.127 16 R CA 1.228 57.408 56.100 0.133 0.000 0.968 16 R CB 0.326 30.658 30.300 0.053 0.000 0.861 16 R HN 0.696 nan 8.270 nan 0.000 0.440 17 E N -2.802 117.354 120.200 -0.074 0.000 2.354 17 E HA 0.162 4.513 4.350 0.001 0.000 0.283 17 E C -1.171 175.421 176.600 -0.013 0.000 0.938 17 E CA -0.952 55.430 56.400 -0.030 0.000 0.777 17 E CB 0.882 30.655 29.700 0.121 0.000 1.222 17 E HN 0.107 nan 8.360 nan 0.000 0.423 18 W N 2.792 123.958 121.300 -0.224 0.000 4.483 18 W HA 0.134 4.795 4.660 0.001 0.000 0.338 18 W C 0.234 176.749 176.519 -0.006 0.000 3.472 18 W CA 0.377 57.666 57.345 -0.093 0.000 1.136 18 W CB -0.561 28.866 29.460 -0.056 0.000 2.116 18 W HN 0.620 nan 8.180 nan 0.000 0.348 19 Y N 1.281 121.445 120.300 -0.226 0.000 2.583 19 Y HA 0.503 5.053 4.550 0.001 0.000 0.293 19 Y C 0.742 176.513 175.900 -0.216 0.000 1.157 19 Y CA 0.420 58.147 58.100 -0.621 0.000 1.315 19 Y CB -0.517 37.129 38.460 -1.356 0.000 1.021 19 Y HN -0.283 nan 8.280 nan 0.000 0.536 20 M N 0.444 119.904 119.600 -0.234 0.000 2.727 20 M HA 0.689 5.170 4.480 0.001 0.000 0.300 20 M C -0.194 176.084 176.300 -0.037 0.000 1.246 20 M CA -1.223 53.944 55.300 -0.221 0.000 0.835 20 M CB 1.875 34.117 32.600 -0.596 0.000 1.755 20 M HN 0.014 nan 8.290 nan 0.000 0.473 21 A N 0.285 123.088 122.820 -0.027 0.000 2.466 21 A HA 0.073 4.394 4.320 0.001 0.000 0.238 21 A C 0.522 178.193 177.584 0.145 0.000 1.074 21 A CA -0.014 52.060 52.037 0.062 0.000 0.774 21 A CB -0.158 18.870 19.000 0.045 0.000 1.015 21 A HN 0.942 nan 8.150 nan 0.000 0.498 22 Y N 0.588 120.941 120.300 0.088 0.000 2.062 22 Y HA -0.290 4.261 4.550 0.001 0.000 0.276 22 Y C 2.001 178.006 175.900 0.175 0.000 1.189 22 Y CA 2.834 61.008 58.100 0.124 0.000 1.130 22 Y CB -0.065 38.421 38.460 0.043 0.000 0.959 22 Y HN 0.746 nan 8.280 nan 0.000 0.499 23 E N 0.408 120.521 120.200 -0.145 0.000 2.153 23 E HA -0.229 4.122 4.350 0.001 0.000 0.194 23 E C 2.098 178.615 176.600 -0.139 0.000 0.988 23 E CA 1.615 57.893 56.400 -0.204 0.000 0.811 23 E CB -0.362 29.328 29.700 -0.017 0.000 0.746 23 E HN 0.752 nan 8.360 nan 0.000 0.466 24 Q N -0.361 119.364 119.800 -0.125 0.000 2.079 24 Q HA -0.132 4.209 4.340 0.001 0.000 0.200 24 Q C 2.125 178.011 176.000 -0.191 0.000 0.974 24 Q CA 0.990 56.688 55.803 -0.176 0.000 0.840 24 Q CB -0.175 28.413 28.738 -0.251 0.000 0.898 24 Q HN 0.479 nan 8.270 nan 0.000 0.430 25 H N -0.565 118.446 119.070 -0.098 0.000 2.363 25 H HA -0.088 4.469 4.556 0.001 0.000 0.301 25 H C 1.968 177.461 175.328 0.276 0.000 1.074 25 H CA 1.322 57.370 56.048 0.000 0.000 1.354 25 H CB -0.209 29.502 29.762 -0.085 0.000 1.397 25 H HN 0.462 nan 8.280 nan 0.000 0.516 26 H N 0.220 119.280 119.070 -0.017 0.000 2.352 26 H HA -0.121 4.436 4.556 0.001 0.000 0.299 26 H C 1.957 177.260 175.328 -0.043 0.000 1.097 26 H CA 0.936 56.889 56.048 -0.158 0.000 1.311 26 H CB 0.373 29.715 29.762 -0.701 0.000 1.377 26 H HN 0.100 nan 8.280 nan 0.000 0.504 27 M N 0.384 119.944 119.600 -0.066 0.000 2.229 27 M HA -0.113 4.368 4.480 0.001 0.000 0.264 27 M C 2.244 178.546 176.300 0.004 0.000 1.063 27 M CA 1.296 56.530 55.300 -0.110 0.000 1.114 27 M CB -0.743 31.798 32.600 -0.099 0.000 1.387 27 M HN 0.318 nan 8.290 nan 0.000 0.420 28 R N -0.326 120.258 120.500 0.141 0.000 2.153 28 R HA -0.048 4.293 4.340 0.001 0.000 0.218 28 R C 2.126 178.541 176.300 0.191 0.000 1.072 28 R CA 0.561 56.813 56.100 0.254 0.000 0.990 28 R CB -0.383 30.151 30.300 0.390 0.000 0.889 28 R HN 0.181 nan 8.270 nan 0.000 0.452 29 L N 1.037 122.303 121.223 0.073 0.000 2.083 29 L HA -0.146 4.195 4.340 0.001 0.000 0.209 29 L C 1.829 178.562 176.870 -0.228 0.000 1.083 29 L CA 1.576 56.107 54.840 -0.515 0.000 0.752 29 L CB -0.198 41.590 42.059 -0.452 0.000 0.899 29 L HN 0.057 nan 8.230 nan 0.000 0.433 30 I N 0.164 120.711 120.570 -0.037 0.000 2.163 30 I HA -0.291 3.879 4.170 0.001 0.000 0.243 30 I C 2.201 178.329 176.117 0.018 0.000 1.085 30 I CA 1.210 62.557 61.300 0.079 0.000 1.347 30 I CB -1.876 36.100 38.000 -0.040 0.000 1.044 30 I HN 0.380 nan 8.210 nan 0.000 0.408 31 N N 1.101 119.780 118.700 -0.036 0.000 2.069 31 N HA -0.196 4.544 4.740 0.001 0.000 0.191 31 N C 1.921 177.352 175.510 -0.130 0.000 1.031 31 N CA 1.078 54.096 53.050 -0.053 0.000 0.852 31 N CB -0.727 37.757 38.487 -0.006 0.000 1.018 31 N HN 0.269 nan 8.380 nan 0.000 0.423 32 L N 1.216 122.325 121.223 -0.190 0.000 1.989 32 L HA -0.099 4.242 4.340 0.001 0.000 0.211 32 L C 1.888 178.496 176.870 -0.437 0.000 1.071 32 L CA 1.525 56.184 54.840 -0.301 0.000 0.749 32 L CB -0.567 41.252 42.059 -0.400 0.000 0.890 32 L HN 0.053 nan 8.230 nan 0.000 0.431 33 I N -0.260 120.018 120.570 -0.487 0.000 2.315 33 I HA -0.234 3.937 4.170 0.001 0.000 0.248 33 I C 2.204 177.992 176.117 -0.548 0.000 1.117 33 I CA 1.160 62.051 61.300 -0.681 0.000 1.404 33 I CB -1.661 35.616 38.000 -1.205 0.000 1.071 33 I HN 0.312 nan 8.210 nan 0.000 0.419 34 D N 1.346 121.570 120.400 -0.293 0.000 2.104 34 D HA -0.195 4.446 4.640 0.001 0.000 0.194 34 D C 1.783 177.919 176.300 -0.273 0.000 0.994 34 D CA 1.402 55.299 54.000 -0.171 0.000 0.830 34 D CB -0.250 40.514 40.800 -0.061 0.000 0.959 34 D HN 0.283 nan 8.370 nan 0.000 0.452 35 D N 0.041 120.260 120.400 -0.301 0.000 2.117 35 D HA -0.093 4.547 4.640 0.001 0.000 0.197 35 D C 2.374 178.349 176.300 -0.542 0.000 0.987 35 D CA 0.333 54.129 54.000 -0.339 0.000 0.829 35 D CB -0.323 40.307 40.800 -0.283 0.000 0.961 35 D HN 0.226 nan 8.370 nan 0.000 0.460 36 L N 0.205 120.999 121.223 -0.715 0.000 1.994 36 L HA -0.160 4.181 4.340 0.001 0.000 0.208 36 L C 2.588 178.576 176.870 -1.470 0.000 1.071 36 L CA 0.799 54.939 54.840 -1.167 0.000 0.745 36 L CB -0.418 40.998 42.059 -1.072 0.000 0.892 36 L HN 0.056 nan 8.230 nan 0.000 0.431 37 L N -0.475 120.235 121.223 -0.856 0.000 2.079 37 L HA -0.240 4.101 4.340 0.001 0.000 0.210 37 L C 2.601 179.253 176.870 -0.363 0.000 1.081 37 L CA 1.167 55.713 54.840 -0.491 0.000 0.752 37 L CB -0.463 41.459 42.059 -0.227 0.000 0.896 37 L HN 0.294 nan 8.230 nan 0.000 0.433 38 E N 0.117 120.100 120.200 -0.361 0.000 2.072 38 E HA -0.190 4.161 4.350 0.001 0.000 0.191 38 E C 2.125 178.567 176.600 -0.262 0.000 0.985 38 E CA 1.262 57.516 56.400 -0.243 0.000 0.801 38 E CB -0.296 29.283 29.700 -0.202 0.000 0.750 38 E HN 0.157 nan 8.360 nan 0.000 0.452 39 V N -0.056 119.593 119.914 -0.442 0.000 2.515 39 V HA -0.175 3.946 4.120 0.001 0.000 0.250 39 V C 1.651 177.627 176.094 -0.197 0.000 1.058 39 V CA 1.545 63.606 62.300 -0.399 0.000 1.064 39 V CB -0.556 30.874 31.823 -0.654 0.000 0.675 39 V HN 0.284 nan 8.190 nan 0.000 0.461 40 F N -0.081 119.723 119.950 -0.243 0.000 2.216 40 F HA -0.106 4.422 4.527 0.001 0.000 0.300 40 F C 2.474 178.240 175.800 -0.057 0.000 1.085 40 F CA 0.997 58.925 58.000 -0.120 0.000 1.326 40 F CB -0.997 37.939 39.000 -0.108 0.000 1.027 40 F HN 0.270 nan 8.300 nan 0.000 0.497 41 Q N -0.597 119.258 119.800 0.093 0.000 2.354 41 Q HA -0.000 4.340 4.340 0.001 0.000 0.203 41 Q C 2.150 178.171 176.000 0.036 0.000 0.933 41 Q CA 1.587 57.422 55.803 0.054 0.000 0.901 41 Q CB -0.648 28.101 28.738 0.018 0.000 1.007 41 Q HN 0.547 nan 8.270 nan 0.000 0.495 42 T N -3.201 111.365 114.554 0.019 0.000 2.990 42 T HA 0.075 4.425 4.350 0.001 0.000 0.249 42 T C 0.286 175.014 174.700 0.047 0.000 1.039 42 T CA 0.043 62.153 62.100 0.017 0.000 1.036 42 T CB 0.371 69.230 68.868 -0.015 0.000 0.994 42 T HN -0.104 nan 8.240 nan 0.000 0.489 43 D N 2.515 122.964 120.400 0.082 0.000 2.440 43 D HA 0.351 4.992 4.640 0.001 0.000 0.252 43 D C -1.805 174.608 176.300 0.189 0.000 1.180 43 D CA -2.534 51.548 54.000 0.136 0.000 0.894 43 D CB 2.133 43.040 40.800 0.179 0.000 1.111 43 D HN -0.029 nan 8.370 nan 0.000 0.544 44 P HA -0.034 nan 4.420 nan 0.000 0.226 44 P C 0.250 177.650 177.300 0.167 0.000 1.153 44 P CA 0.606 63.786 63.100 0.134 0.000 0.777 44 P CB 0.650 32.405 31.700 0.091 0.000 0.794 45 D N -1.151 119.363 120.400 0.190 0.000 2.350 45 D HA 0.022 4.663 4.640 0.001 0.000 0.213 45 D C 0.297 176.776 176.300 0.298 0.000 1.031 45 D CA -0.044 54.074 54.000 0.196 0.000 0.861 45 D CB -0.446 40.434 40.800 0.135 0.000 0.926 45 D HN 0.196 nan 8.370 nan 0.000 0.520 46 F N 2.401 122.495 119.950 0.239 0.000 2.487 46 F HA -0.015 4.513 4.527 0.001 0.000 0.364 46 F C 1.807 177.826 175.800 0.364 0.000 1.126 46 F CA -0.053 58.184 58.000 0.394 0.000 1.135 46 F CB 0.474 39.688 39.000 0.356 0.000 1.127 46 F HN -0.047 nan 8.300 nan 0.000 0.559 47 H N 3.635 122.843 119.070 0.231 0.000 2.317 47 H HA 0.055 4.612 4.556 0.001 0.000 0.304 47 H C 0.243 175.548 175.328 -0.039 0.000 1.067 47 H CA 1.418 57.472 56.048 0.010 0.000 1.352 47 H CB 0.421 30.104 29.762 -0.133 0.000 1.398 47 H HN 0.558 nan 8.280 nan 0.000 0.510 48 S N -1.418 114.243 115.700 -0.066 0.000 2.636 48 S HA 0.410 4.881 4.470 0.001 0.000 0.266 48 S C -1.610 173.187 174.600 0.329 0.000 1.147 48 S CA -0.980 57.257 58.200 0.061 0.000 0.815 48 S CB 1.783 64.951 63.200 -0.053 0.000 1.119 48 S HN 0.196 nan 8.310 nan 0.000 0.470 49 F N 1.189 121.301 119.950 0.270 0.000 2.561 49 F HA 0.563 5.091 4.527 0.001 0.000 0.313 49 F C -0.715 175.211 175.800 0.210 0.000 1.126 49 F CA -0.401 57.794 58.000 0.324 0.000 0.918 49 F CB 1.820 41.102 39.000 0.470 0.000 1.199 49 F HN 0.991 nan 8.300 nan 0.000 0.444 50 H N 6.290 125.202 119.070 -0.264 0.000 2.782 50 H HA 0.366 4.922 4.556 0.001 0.000 0.285 50 H C -0.311 174.953 175.328 -0.108 0.000 1.093 50 H CA -0.006 55.961 56.048 -0.135 0.000 1.410 50 H CB 0.748 30.454 29.762 -0.093 0.000 1.439 50 H HN 0.714 nan 8.280 nan 0.000 0.469 51 L N 4.969 125.983 121.223 -0.348 0.000 2.919 51 L HA 0.058 4.399 4.340 0.001 0.000 0.242 51 L C 0.484 177.178 176.870 -0.294 0.000 1.366 51 L CA 0.248 54.996 54.840 -0.154 0.000 1.212 51 L CB -0.528 41.479 42.059 -0.087 0.000 1.604 51 L HN 0.920 nan 8.230 nan 0.000 0.433 52 D N 1.187 121.383 120.400 -0.339 0.000 2.911 52 D HA -0.222 4.419 4.640 0.001 0.000 0.227 52 D C 1.275 177.455 176.300 -0.200 0.000 1.164 52 D CA 1.130 55.097 54.000 -0.054 0.000 0.782 52 D CB -0.717 40.194 40.800 0.185 0.000 1.094 52 D HN 0.735 nan 8.370 nan 0.000 0.425 53 G N -0.487 107.932 108.800 -0.635 0.000 2.175 53 G HA2 -0.341 3.620 3.960 0.001 0.000 0.265 53 G HA3 -0.341 3.620 3.960 0.001 0.000 0.265 53 G C 0.022 174.811 174.900 -0.186 0.000 0.979 53 G CA 0.916 45.729 45.100 -0.479 0.000 0.663 53 G HN 0.854 nan 8.290 nan 0.000 0.533 54 Q N -1.005 118.729 119.800 -0.110 0.000 2.309 54 Q HA 0.632 4.972 4.340 0.001 0.000 0.270 54 Q C 0.828 176.815 176.000 -0.023 0.000 1.023 54 Q CA -0.190 55.606 55.803 -0.011 0.000 0.758 54 Q CB 1.408 30.149 28.738 0.005 0.000 1.247 54 Q HN 0.395 nan 8.270 nan 0.000 0.455 55 T N -0.237 114.350 114.554 0.056 0.000 3.035 55 T HA -0.081 4.270 4.350 0.001 0.000 0.268 55 T C 1.482 176.248 174.700 0.110 0.000 1.109 55 T CA 0.699 62.865 62.100 0.111 0.000 1.119 55 T CB -0.185 68.835 68.868 0.253 0.000 0.900 55 T HN 0.689 nan 8.240 nan 0.000 0.503 56 I N 0.654 121.199 120.570 -0.042 0.000 2.335 56 I HA -0.126 4.044 4.170 0.001 0.000 0.251 56 I C 2.154 178.261 176.117 -0.016 0.000 1.129 56 I CA 1.248 62.469 61.300 -0.132 0.000 1.402 56 I CB -0.166 37.508 38.000 -0.543 0.000 1.069 56 I HN 0.266 nan 8.210 nan 0.000 0.424 57 I N 0.418 120.970 120.570 -0.030 0.000 2.194 57 I HA -0.361 3.809 4.170 0.001 0.000 0.246 57 I C 2.328 178.449 176.117 0.007 0.000 1.093 57 I CA 1.511 62.794 61.300 -0.029 0.000 1.355 57 I CB -0.334 37.616 38.000 -0.083 0.000 1.046 57 I HN 0.276 nan 8.210 nan 0.000 0.413 58 L N 0.084 121.307 121.223 -0.001 0.000 2.017 58 L HA -0.243 4.098 4.340 0.001 0.000 0.208 58 L C 2.202 179.178 176.870 0.177 0.000 1.073 58 L CA 1.304 56.147 54.840 0.006 0.000 0.745 58 L CB -0.831 41.131 42.059 -0.161 0.000 0.894 58 L HN 0.259 nan 8.230 nan 0.000 0.432 59 D N 0.039 120.572 120.400 0.222 0.000 2.117 59 D HA -0.180 4.461 4.640 0.001 0.000 0.197 59 D C 1.801 178.217 176.300 0.194 0.000 0.987 59 D CA 1.258 55.400 54.000 0.237 0.000 0.829 59 D CB -0.355 40.587 40.800 0.236 0.000 0.961 59 D HN 0.305 nan 8.370 nan 0.000 0.460 60 D N -0.274 120.223 120.400 0.161 0.000 2.117 60 D HA -0.174 4.467 4.640 0.001 0.000 0.197 60 D C 1.951 178.459 176.300 0.347 0.000 0.987 60 D CA 0.677 54.784 54.000 0.178 0.000 0.829 60 D CB -0.478 40.379 40.800 0.094 0.000 0.961 60 D HN 0.267 nan 8.370 nan 0.000 0.460 61 Y N 1.252 121.624 120.300 0.120 0.000 2.145 61 Y HA -0.104 4.447 4.550 0.001 0.000 0.286 61 Y C 2.194 178.142 175.900 0.079 0.000 1.145 61 Y CA 1.282 59.421 58.100 0.064 0.000 1.148 61 Y CB -0.420 38.014 38.460 -0.043 0.000 0.981 61 Y HN -0.095 nan 8.280 nan 0.000 0.507 62 L N -0.084 121.200 121.223 0.102 0.000 2.291 62 L HA -0.167 4.174 4.340 0.001 0.000 0.214 62 L C 2.262 179.148 176.870 0.026 0.000 1.120 62 L CA 1.041 55.901 54.840 0.033 0.000 0.799 62 L CB -0.425 41.749 42.059 0.192 0.000 0.925 62 L HN 0.152 nan 8.230 nan 0.000 0.446 63 K N -0.418 120.037 120.400 0.092 0.000 2.152 63 K HA -0.136 4.185 4.320 0.001 0.000 0.206 63 K C 1.923 178.549 176.600 0.042 0.000 1.048 63 K CA 1.089 57.439 56.287 0.105 0.000 0.933 63 K CB 0.024 32.635 32.500 0.184 0.000 0.721 63 K HN 0.158 nan 8.250 nan 0.000 0.447 64 V N 0.367 120.257 119.914 -0.040 0.000 2.575 64 V HA -0.025 4.095 4.120 0.001 0.000 0.242 64 V C 0.933 176.900 176.094 -0.211 0.000 1.045 64 V CA 0.873 63.087 62.300 -0.144 0.000 1.065 64 V CB -0.042 31.630 31.823 -0.252 0.000 0.717 64 V HN 0.162 nan 8.190 nan 0.000 0.467 65 R N 0.860 121.152 120.500 -0.347 0.000 2.983 65 R HA 0.235 4.575 4.340 0.001 0.000 0.300 65 R C -1.929 174.254 176.300 -0.195 0.000 1.367 65 R CA -1.384 54.515 56.100 -0.335 0.000 1.564 65 R CB 0.730 30.680 30.300 -0.583 0.000 1.314 65 R HN 0.360 nan 8.270 nan 0.000 0.622 66 P HA -0.214 nan 4.420 nan 0.000 0.220 66 P C 1.043 178.353 177.300 0.017 0.000 1.148 66 P CA 1.203 64.301 63.100 -0.004 0.000 0.803 66 P CB 0.304 32.011 31.700 0.012 0.000 0.782 67 E N 0.559 120.755 120.200 -0.007 0.000 2.401 67 E HA -0.168 4.183 4.350 0.001 0.000 0.199 67 E C 1.417 178.039 176.600 0.036 0.000 1.023 67 E CA 0.781 57.189 56.400 0.012 0.000 0.859 67 E CB -0.528 29.171 29.700 -0.002 0.000 0.780 67 E HN 0.194 nan 8.360 nan 0.000 0.523 68 R N 0.775 121.301 120.500 0.043 0.000 2.317 68 R HA 0.113 4.453 4.340 0.001 0.000 0.208 68 R C 1.748 178.135 176.300 0.146 0.000 0.914 68 R CA 0.270 56.433 56.100 0.105 0.000 1.060 68 R CB -0.065 30.349 30.300 0.189 0.000 1.015 68 R HN 0.413 nan 8.270 nan 0.000 0.498 69 E N 1.485 121.775 120.200 0.151 0.000 2.070 69 E HA -0.172 4.178 4.350 0.001 0.000 0.197 69 E C -0.907 175.819 176.600 0.210 0.000 1.004 69 E CA 1.410 57.945 56.400 0.225 0.000 0.805 69 E CB -0.360 29.484 29.700 0.239 0.000 0.744 69 E HN 0.128 nan 8.360 nan 0.000 0.451 70 P HA -0.151 nan 4.420 nan 0.000 0.215 70 P C 0.632 177.996 177.300 0.106 0.000 1.153 70 P CA 1.542 64.715 63.100 0.121 0.000 0.853 70 P CB 0.018 31.767 31.700 0.082 0.000 0.788 71 E N -0.920 119.336 120.200 0.093 0.000 2.072 71 E HA -0.122 4.229 4.350 0.001 0.000 0.191 71 E C 2.032 178.667 176.600 0.058 0.000 0.985 71 E CA 0.841 57.285 56.400 0.074 0.000 0.801 71 E CB -0.775 28.967 29.700 0.070 0.000 0.750 71 E HN 0.131 nan 8.360 nan 0.000 0.452 72 I N 0.768 121.368 120.570 0.049 0.000 2.179 72 I HA -0.250 3.921 4.170 0.001 0.000 0.242 72 I C 2.459 178.532 176.117 -0.075 0.000 1.088 72 I CA 1.375 62.636 61.300 -0.065 0.000 1.357 72 I CB -0.825 37.092 38.000 -0.138 0.000 1.051 72 I HN 0.125 nan 8.210 nan 0.000 0.409 73 R N 0.591 121.148 120.500 0.095 0.000 2.091 73 R HA -0.255 4.086 4.340 0.001 0.000 0.238 73 R C 2.341 178.703 176.300 0.103 0.000 1.136 73 R CA 1.780 58.010 56.100 0.216 0.000 0.959 73 R CB -0.169 30.326 30.300 0.325 0.000 0.856 73 R HN 0.210 nan 8.270 nan 0.000 0.437 74 Q N 0.291 120.132 119.800 0.069 0.000 2.119 74 Q HA -0.023 4.318 4.340 0.001 0.000 0.201 74 Q C 1.803 177.793 176.000 -0.016 0.000 0.972 74 Q CA 2.091 57.914 55.803 0.032 0.000 0.847 74 Q CB -0.329 28.430 28.738 0.035 0.000 0.903 74 Q HN 0.446 nan 8.270 nan 0.000 0.433 75 A N -0.140 122.664 122.820 -0.027 0.000 1.972 75 A HA -0.104 4.217 4.320 0.001 0.000 0.219 75 A C 2.111 179.609 177.584 -0.143 0.000 1.169 75 A CA 1.325 53.297 52.037 -0.108 0.000 0.635 75 A CB -0.591 18.412 19.000 0.005 0.000 0.810 75 A HN 0.449 nan 8.150 nan 0.000 0.446 76 I N -0.506 120.011 120.570 -0.090 0.000 2.233 76 I HA -0.200 3.971 4.170 0.001 0.000 0.243 76 I C 2.966 179.062 176.117 -0.035 0.000 1.093 76 I CA 0.923 62.179 61.300 -0.073 0.000 1.380 76 I CB -0.332 37.631 38.000 -0.062 0.000 1.067 76 I HN 0.326 nan 8.210 nan 0.000 0.413 77 A N 0.734 123.554 122.820 -0.001 0.000 1.908 77 A HA -0.239 4.082 4.320 0.001 0.000 0.218 77 A C 2.432 179.996 177.584 -0.034 0.000 1.181 77 A CA 2.301 54.341 52.037 0.005 0.000 0.627 77 A CB -0.857 18.159 19.000 0.028 0.000 0.818 77 A HN 0.530 nan 8.150 nan 0.000 0.445 78 S N -1.997 113.661 115.700 -0.070 0.000 2.522 78 S HA 0.334 4.805 4.470 0.001 0.000 0.227 78 S C 1.483 175.992 174.600 -0.152 0.000 0.986 78 S CA 1.184 59.322 58.200 -0.104 0.000 0.929 78 S CB -0.329 62.796 63.200 -0.126 0.000 0.769 78 S HN 1.995 nan 8.310 nan 0.000 0.529 79 G N 1.361 110.068 108.800 -0.155 0.000 2.157 79 G HA2 -0.268 3.693 3.960 0.001 0.000 0.248 79 G HA3 -0.268 3.693 3.960 0.001 0.000 0.248 79 G C 0.760 175.500 174.900 -0.265 0.000 0.979 79 G CA 0.433 45.428 45.100 -0.174 0.000 0.650 79 G HN 0.540 nan 8.290 nan 0.000 0.529 80 K N -0.692 119.483 120.400 -0.376 0.000 2.228 80 K HA 0.251 4.571 4.320 0.001 0.000 0.202 80 K C 0.952 177.343 176.600 -0.348 0.000 1.051 80 K CA 0.524 56.456 56.287 -0.593 0.000 0.960 80 K CB 0.173 31.903 32.500 -1.284 0.000 0.743 80 K HN 0.398 nan 8.250 nan 0.000 0.458 81 L N 2.368 123.476 121.223 -0.192 0.000 2.280 81 L HA 0.276 4.617 4.340 0.001 0.000 0.287 81 L C -0.303 176.549 176.870 -0.029 0.000 1.023 81 L CA -0.805 54.041 54.840 0.009 0.000 0.819 81 L CB 1.249 43.303 42.059 -0.008 0.000 1.212 81 L HN -0.065 nan 8.230 nan 0.000 0.420 82 R N 5.192 125.702 120.500 0.016 0.000 2.229 82 R HA 0.557 4.898 4.340 0.001 0.000 0.332 82 R C -0.486 175.740 176.300 -0.123 0.000 0.989 82 R CA -0.472 55.620 56.100 -0.013 0.000 0.842 82 R CB 1.471 31.827 30.300 0.094 0.000 1.119 82 R HN 0.641 nan 8.270 nan 0.000 0.456 83 I N -1.714 118.787 120.570 -0.115 0.000 2.693 83 I HA 0.778 4.948 4.170 0.001 0.000 0.303 83 I C 0.615 176.654 176.117 -0.131 0.000 1.025 83 I CA -0.589 60.620 61.300 -0.152 0.000 1.086 83 I CB 2.117 40.045 38.000 -0.119 0.000 1.268 83 I HN 0.660 nan 8.210 nan 0.000 0.440 84 G N 4.796 113.507 108.800 -0.147 0.000 2.740 84 G HA2 -0.178 3.782 3.960 0.001 0.000 0.250 84 G HA3 -0.178 3.782 3.960 0.001 0.000 0.250 84 G C -2.447 172.316 174.900 -0.227 0.000 1.358 84 G CA 0.085 45.117 45.100 -0.113 0.000 0.897 84 G HN 0.716 nan 8.290 nan 0.000 0.567 85 P HA 0.340 nan 4.420 nan 0.000 0.300 85 P C -0.146 177.250 177.300 0.160 0.000 1.349 85 P CA -0.078 62.979 63.100 -0.072 0.000 1.054 85 P CB 0.528 32.168 31.700 -0.099 0.000 1.548 86 F N -0.747 119.200 119.950 -0.006 0.000 2.411 86 F HA 0.276 4.804 4.527 0.001 0.000 0.324 86 F C 1.994 177.857 175.800 0.104 0.000 1.086 86 F CA -1.638 56.380 58.000 0.030 0.000 1.028 86 F CB -0.330 38.654 39.000 -0.025 0.000 1.284 86 F HN -0.237 nan 8.300 nan 0.000 0.501 87 Y N 1.440 121.865 120.300 0.208 0.000 2.206 87 Y HA 0.177 4.728 4.550 0.001 0.000 0.292 87 Y C 0.262 176.236 175.900 0.124 0.000 1.123 87 Y CA 0.779 58.957 58.100 0.130 0.000 1.142 87 Y CB 0.060 38.574 38.460 0.090 0.000 1.006 87 Y HN 0.315 nan 8.280 nan 0.000 0.518 88 I N -1.977 118.635 120.570 0.070 0.000 3.174 88 I HA 0.380 4.551 4.170 0.001 0.000 0.313 88 I C -1.548 174.645 176.117 0.126 0.000 1.155 88 I CA -1.656 59.629 61.300 -0.026 0.000 0.977 88 I CB 1.821 39.763 38.000 -0.097 0.000 1.248 88 I HN -0.212 nan 8.210 nan 0.000 0.453 89 L N 3.849 125.150 121.223 0.130 0.000 2.272 89 L HA 0.423 4.764 4.340 0.001 0.000 0.284 89 L C 0.082 177.091 176.870 0.232 0.000 1.045 89 L CA -0.645 54.317 54.840 0.204 0.000 0.842 89 L CB 0.559 42.775 42.059 0.261 0.000 1.224 89 L HN 0.733 nan 8.230 nan 0.000 0.430 90 Q N 2.268 122.157 119.800 0.147 0.000 2.318 90 Q HA 0.176 4.517 4.340 0.001 0.000 0.222 90 Q C -0.697 175.353 176.000 0.082 0.000 1.003 90 Q CA -0.521 55.350 55.803 0.114 0.000 0.936 90 Q CB 1.803 30.570 28.738 0.048 0.000 1.204 90 Q HN 0.492 nan 8.270 nan 0.000 0.524 91 D N 0.362 120.783 120.400 0.035 0.000 2.312 91 D HA 0.022 4.663 4.640 0.001 0.000 0.252 91 D C -0.215 176.031 176.300 -0.089 0.000 1.150 91 D CA -0.349 53.627 54.000 -0.041 0.000 0.870 91 D CB 1.024 41.829 40.800 0.009 0.000 1.153 91 D HN 0.357 nan 8.370 nan 0.000 0.457 92 D N 3.188 123.464 120.400 -0.207 0.000 2.084 92 D HA -0.153 4.488 4.640 0.001 0.000 0.194 92 D C 1.599 177.709 176.300 -0.316 0.000 0.990 92 D CA 1.210 54.999 54.000 -0.351 0.000 0.826 92 D CB -0.166 40.205 40.800 -0.715 0.000 0.971 92 D HN 0.486 nan 8.370 nan 0.000 0.453 93 F N 0.083 119.940 119.950 -0.153 0.000 2.325 93 F HA 0.109 4.637 4.527 0.001 0.000 0.299 93 F C 2.108 177.877 175.800 -0.052 0.000 1.090 93 F CA 0.454 58.358 58.000 -0.159 0.000 1.392 93 F CB -0.279 38.483 39.000 -0.396 0.000 1.053 93 F HN -0.076 nan 8.300 nan 0.000 0.521 94 L N -0.510 120.795 121.223 0.136 0.000 2.607 94 L HA 0.150 4.491 4.340 0.001 0.000 0.228 94 L C 0.666 177.524 176.870 -0.021 0.000 1.123 94 L CA -0.012 54.890 54.840 0.103 0.000 0.890 94 L CB -0.539 41.610 42.059 0.150 0.000 1.103 94 L HN 0.022 nan 8.230 nan 0.000 0.468 95 T N -2.873 111.618 114.554 -0.105 0.000 2.925 95 T HA 0.440 4.791 4.350 0.001 0.000 0.285 95 T C 0.368 174.989 174.700 -0.130 0.000 1.021 95 T CA -0.670 61.284 62.100 -0.242 0.000 1.042 95 T CB 1.819 70.444 68.868 -0.406 0.000 1.037 95 T HN 0.117 nan 8.240 nan 0.000 0.481 96 S N 1.879 117.531 115.700 -0.079 0.000 2.576 96 S HA 0.121 4.592 4.470 0.001 0.000 0.272 96 S C 1.460 175.981 174.600 -0.131 0.000 1.352 96 S CA -0.206 57.963 58.200 -0.053 0.000 1.021 96 S CB 0.256 63.488 63.200 0.052 0.000 0.887 96 S HN 0.714 nan 8.310 nan 0.000 0.542 97 S N 1.457 116.983 115.700 -0.289 0.000 2.368 97 S HA -0.146 4.324 4.470 0.001 0.000 0.226 97 S C 1.943 176.314 174.600 -0.381 0.000 1.044 97 S CA 1.533 59.334 58.200 -0.666 0.000 1.062 97 S CB -0.610 61.788 63.200 -1.337 0.000 0.931 97 S HN 0.794 nan 8.310 nan 0.000 0.440 98 E N 1.118 121.236 120.200 -0.136 0.000 2.110 98 E HA -0.047 4.304 4.350 0.001 0.000 0.193 98 E C 2.361 178.992 176.600 0.052 0.000 0.988 98 E CA 0.760 57.217 56.400 0.095 0.000 0.804 98 E CB -0.459 29.343 29.700 0.171 0.000 0.745 98 E HN 0.396 nan 8.360 nan 0.000 0.458 99 S N 1.367 117.142 115.700 0.125 0.000 2.383 99 S HA -0.112 4.359 4.470 0.001 0.000 0.229 99 S C 1.656 176.295 174.600 0.065 0.000 1.030 99 S CA 0.692 59.011 58.200 0.198 0.000 1.002 99 S CB -0.206 63.185 63.200 0.319 0.000 0.829 99 S HN 0.297 nan 8.310 nan 0.000 0.467 100 N N 0.962 119.667 118.700 0.008 0.000 2.223 100 N HA -0.069 4.672 4.740 0.001 0.000 0.185 100 N C 1.655 177.135 175.510 -0.050 0.000 1.016 100 N CA 1.094 54.124 53.050 -0.034 0.000 0.863 100 N CB -0.184 38.286 38.487 -0.028 0.000 0.983 100 N HN 0.242 nan 8.380 nan 0.000 0.429 101 V N 1.778 121.700 119.914 0.015 0.000 2.407 101 V HA -0.085 4.036 4.120 0.001 0.000 0.245 101 V C 2.182 178.203 176.094 -0.122 0.000 1.041 101 V CA 1.128 63.407 62.300 -0.037 0.000 1.040 101 V CB -0.208 31.627 31.823 0.021 0.000 0.671 101 V HN 0.168 nan 8.190 nan 0.000 0.455 102 R N 0.710 121.095 120.500 -0.192 0.000 2.115 102 R HA -0.096 4.245 4.340 0.001 0.000 0.230 102 R C 2.012 178.218 176.300 -0.158 0.000 1.111 102 R CA 1.216 57.123 56.100 -0.321 0.000 0.976 102 R CB -1.471 28.382 30.300 -0.746 0.000 0.870 102 R HN 0.539 nan 8.270 nan 0.000 0.445 103 N N 1.083 119.741 118.700 -0.069 0.000 2.104 103 N HA -0.123 4.617 4.740 0.001 0.000 0.190 103 N C 1.604 177.095 175.510 -0.032 0.000 1.024 103 N CA 1.628 54.673 53.050 -0.009 0.000 0.853 103 N CB -0.067 38.362 38.487 -0.097 0.000 1.008 103 N HN 0.221 nan 8.380 nan 0.000 0.424 104 M N -1.025 118.510 119.600 -0.108 0.000 2.288 104 M HA -0.049 4.431 4.480 0.001 0.000 0.266 104 M C 1.694 178.004 176.300 0.017 0.000 1.072 104 M CA 0.551 55.847 55.300 -0.006 0.000 1.132 104 M CB -0.130 32.452 32.600 -0.030 0.000 1.386 104 M HN 0.137 nan 8.290 nan 0.000 0.432 105 L N 1.027 122.219 121.223 -0.052 0.000 2.017 105 L HA -0.139 4.202 4.340 0.001 0.000 0.208 105 L C 2.236 179.075 176.870 -0.052 0.000 1.073 105 L CA 1.735 56.535 54.840 -0.067 0.000 0.745 105 L CB -0.644 41.335 42.059 -0.132 0.000 0.894 105 L HN 0.194 nan 8.230 nan 0.000 0.432 106 I N -0.623 119.902 120.570 -0.075 0.000 2.252 106 I HA -0.155 4.016 4.170 0.001 0.000 0.245 106 I C 2.527 178.658 176.117 0.023 0.000 1.102 106 I CA 1.365 62.609 61.300 -0.093 0.000 1.385 106 I CB -2.059 35.778 38.000 -0.272 0.000 1.064 106 I HN 0.334 nan 8.210 nan 0.000 0.414 107 G N 1.038 109.911 108.800 0.122 0.000 2.446 107 G HA2 -0.331 3.630 3.960 0.001 0.000 0.217 107 G HA3 -0.331 3.630 3.960 0.001 0.000 0.217 107 G C 1.766 176.753 174.900 0.145 0.000 1.168 107 G CA 1.191 46.414 45.100 0.206 0.000 0.771 107 G HN 0.275 nan 8.290 nan 0.000 0.551 108 K N 0.905 121.365 120.400 0.101 0.000 2.057 108 K HA -0.062 4.259 4.320 0.001 0.000 0.207 108 K C 2.268 178.896 176.600 0.046 0.000 1.049 108 K CA 1.877 58.205 56.287 0.067 0.000 0.931 108 K CB -0.428 32.096 32.500 0.039 0.000 0.714 108 K HN 0.438 nan 8.250 nan 0.000 0.440 109 E N -0.031 120.182 120.200 0.023 0.000 2.058 109 E HA -0.222 4.129 4.350 0.001 0.000 0.194 109 E C 1.249 177.856 176.600 0.012 0.000 0.997 109 E CA 1.747 58.145 56.400 -0.002 0.000 0.801 109 E CB -0.105 29.578 29.700 -0.028 0.000 0.746 109 E HN 0.351 nan 8.360 nan 0.000 0.450 110 D N -0.010 120.430 120.400 0.067 0.000 2.097 110 D HA -0.156 4.485 4.640 0.001 0.000 0.195 110 D C 2.051 178.478 176.300 0.211 0.000 0.989 110 D CA 1.084 55.167 54.000 0.138 0.000 0.827 110 D CB -0.615 40.352 40.800 0.277 0.000 0.966 110 D HN 0.289 nan 8.370 nan 0.000 0.456 111 C N 0.957 120.375 119.300 0.196 0.000 2.429 111 C HA -0.120 4.341 4.460 0.001 0.000 0.277 111 C C 2.254 177.323 174.990 0.130 0.000 1.262 111 C CA 0.444 59.576 59.018 0.190 0.000 1.733 111 C CB -0.653 27.159 27.740 0.120 0.000 2.010 111 C HN 0.337 nan 8.230 nan 0.000 0.483 112 D N 0.119 120.556 120.400 0.061 0.000 2.117 112 D HA -0.135 4.506 4.640 0.001 0.000 0.197 112 D C 2.281 178.572 176.300 -0.015 0.000 0.987 112 D CA 1.041 55.052 54.000 0.019 0.000 0.829 112 D CB -0.525 40.270 40.800 -0.007 0.000 0.961 112 D HN 0.496 nan 8.370 nan 0.000 0.460 113 R N -0.478 119.973 120.500 -0.081 0.000 2.081 113 R HA -0.142 4.199 4.340 0.001 0.000 0.235 113 R C 2.145 178.294 176.300 -0.252 0.000 1.131 113 R CA 1.359 57.321 56.100 -0.230 0.000 0.960 113 R CB -0.320 29.746 30.300 -0.390 0.000 0.856 113 R HN 0.246 nan 8.270 nan 0.000 0.436 114 W N -0.931 120.382 121.300 0.020 0.000 2.518 114 W HA 0.190 4.851 4.660 0.001 0.000 0.273 114 W C 1.271 177.796 176.519 0.010 0.000 1.247 114 W CA 0.546 57.902 57.345 0.019 0.000 1.288 114 W CB 0.314 29.787 29.460 0.023 0.000 1.107 114 W HN 0.442 nan 8.180 nan 0.000 0.586 115 G N 0.042 108.960 108.800 0.196 0.000 2.134 115 G HA2 0.062 4.023 3.960 0.001 0.000 0.209 115 G HA3 0.062 4.023 3.960 0.001 0.000 0.209 115 G C -0.202 174.758 174.900 0.099 0.000 0.993 115 G CA -0.309 44.860 45.100 0.114 0.000 0.669 115 G HN 0.675 nan 8.290 nan 0.000 0.519 116 A N -1.714 121.176 122.820 0.117 0.000 2.608 116 A HA 1.014 5.335 4.320 0.001 0.000 0.292 116 A C -0.335 177.291 177.584 0.069 0.000 1.066 116 A CA 0.692 52.772 52.037 0.072 0.000 0.676 116 A CB 1.232 20.261 19.000 0.049 0.000 1.277 116 A HN 1.772 nan 8.150 nan 0.000 0.413 117 S N -1.142 114.582 115.700 0.040 0.000 2.776 117 S HA 0.798 5.269 4.470 0.001 0.000 0.292 117 S C -1.778 172.829 174.600 0.012 0.000 1.187 117 S CA -0.210 58.005 58.200 0.025 0.000 0.834 117 S CB 1.606 64.824 63.200 0.029 0.000 1.199 117 S HN 1.454 nan 8.310 nan 0.000 0.514 118 V N 3.315 123.224 119.914 -0.008 0.000 2.531 118 V HA 0.501 4.622 4.120 0.001 0.000 0.301 118 V C -2.234 173.847 176.094 -0.021 0.000 1.034 118 V CA -1.594 60.713 62.300 0.012 0.000 0.865 118 V CB 1.992 33.839 31.823 0.041 0.000 0.995 118 V HN 0.775 nan 8.190 nan 0.000 0.424 119 P HA 0.262 nan 4.420 nan 0.000 0.218 119 P C -0.806 176.475 177.300 -0.032 0.000 1.793 119 P CA -0.042 63.052 63.100 -0.010 0.000 0.941 119 P CB 0.191 31.896 31.700 0.010 0.000 1.919 120 L N 0.186 121.354 121.223 -0.092 0.000 2.528 120 L HA 0.608 4.949 4.340 0.001 0.000 0.267 120 L C -0.021 176.721 176.870 -0.213 0.000 0.961 120 L CA -0.556 54.206 54.840 -0.130 0.000 0.866 120 L CB 1.676 43.599 42.059 -0.226 0.000 1.248 120 L HN 0.126 nan 8.230 nan 0.000 0.404 121 G N 2.969 111.705 108.800 -0.107 0.000 2.305 121 G HA2 0.181 4.142 3.960 0.001 0.000 0.243 121 G HA3 0.181 4.142 3.960 0.001 0.000 0.243 121 G C -1.389 173.401 174.900 -0.185 0.000 1.288 121 G CA 0.218 45.230 45.100 -0.148 0.000 0.901 121 G HN 0.590 nan 8.290 nan 0.000 0.516 122 Y N 2.461 122.238 120.300 -0.870 0.000 2.376 122 Y HA 0.520 5.071 4.550 0.001 0.000 0.326 122 Y C -0.788 174.771 175.900 -0.568 0.000 0.970 122 Y CA -1.671 56.098 58.100 -0.552 0.000 1.248 122 Y CB 1.203 39.360 38.460 -0.505 0.000 1.117 122 Y HN 0.437 nan 8.280 nan 0.000 0.476 123 F N 7.288 127.164 119.950 -0.123 0.000 2.577 123 F HA 0.336 4.863 4.527 0.001 0.000 0.342 123 F C -1.767 173.941 175.800 -0.153 0.000 1.479 123 F CA -1.650 56.322 58.000 -0.048 0.000 1.110 123 F CB 0.670 39.725 39.000 0.092 0.000 1.306 123 F HN 0.346 nan 8.300 nan 0.000 0.554 124 P HA -0.160 nan 4.420 nan 0.000 0.218 124 P C 0.807 177.980 177.300 -0.212 0.000 1.149 124 P CA 1.656 64.558 63.100 -0.330 0.000 0.817 124 P CB 0.596 31.732 31.700 -0.941 0.000 0.785 125 D N -2.088 118.185 120.400 -0.212 0.000 2.520 125 D HA 0.030 4.671 4.640 0.001 0.000 0.223 125 D C -0.280 176.030 176.300 0.016 0.000 1.186 125 D CA 0.136 54.132 54.000 -0.008 0.000 0.821 125 D CB -0.212 40.558 40.800 -0.050 0.000 1.072 125 D HN -0.092 nan 8.370 nan 0.000 0.518 126 T N 1.364 115.863 114.554 -0.092 0.000 2.905 126 T HA -0.041 4.309 4.350 0.001 0.000 0.299 126 T C 0.190 174.965 174.700 0.126 0.000 1.024 126 T CA 0.170 62.179 62.100 -0.151 0.000 1.151 126 T CB 0.034 68.915 68.868 0.023 0.000 0.987 126 T HN -0.043 nan 8.240 nan 0.000 0.535 127 F N 2.320 122.347 119.950 0.129 0.000 2.605 127 F HA 0.503 5.031 4.527 0.001 0.000 0.352 127 F C 1.437 177.365 175.800 0.214 0.000 1.236 127 F CA -1.064 57.061 58.000 0.208 0.000 1.267 127 F CB -1.208 37.963 39.000 0.284 0.000 1.632 127 F HN 0.967 nan 8.300 nan 0.000 0.639 128 G N 1.932 110.925 108.800 0.322 0.000 3.209 128 G HA2 -0.177 3.783 3.960 0.001 0.000 0.686 128 G HA3 -0.177 3.783 3.960 0.001 0.000 0.686 128 G C -1.074 173.827 174.900 0.002 0.000 1.065 128 G CA -1.207 44.077 45.100 0.306 0.000 0.812 128 G HN 0.425 nan 8.290 nan 0.000 0.573 129 N N 2.499 121.160 118.700 -0.065 0.000 2.392 129 N HA 0.474 5.215 4.740 0.001 0.000 0.283 129 N C 1.138 176.502 175.510 -0.242 0.000 1.003 129 N CA -0.618 52.267 53.050 -0.275 0.000 0.892 129 N CB 1.446 39.817 38.487 -0.192 0.000 1.193 129 N HN 0.837 nan 8.380 nan 0.000 0.487 130 M N -0.237 119.015 119.600 -0.580 0.000 2.249 130 M HA 0.162 4.643 4.480 0.001 0.000 0.340 130 M C 1.149 177.387 176.300 -0.102 0.000 1.166 130 M CA 0.231 55.308 55.300 -0.371 0.000 1.115 130 M CB 0.211 32.532 32.600 -0.466 0.000 1.606 130 M HN 0.491 nan 8.290 nan 0.000 0.448 131 G N 1.605 110.434 108.800 0.049 0.000 2.448 131 G HA2 -0.153 3.808 3.960 0.001 0.000 0.219 131 G HA3 -0.153 3.808 3.960 0.001 0.000 0.219 131 G C 1.211 176.056 174.900 -0.093 0.000 1.127 131 G CA 0.365 45.502 45.100 0.060 0.000 0.766 131 G HN 0.829 nan 8.290 nan 0.000 0.552 132 Q N 0.380 120.098 119.800 -0.138 0.000 2.365 132 Q HA 0.029 4.370 4.340 0.001 0.000 0.203 132 Q C 2.350 178.150 176.000 -0.333 0.000 0.929 132 Q CA 0.358 56.049 55.803 -0.187 0.000 0.948 132 Q CB -0.103 28.583 28.738 -0.087 0.000 1.043 132 Q HN 0.398 nan 8.270 nan 0.000 0.505 133 T N 1.638 115.874 114.554 -0.530 0.000 2.685 133 T HA -0.148 4.202 4.350 0.001 0.000 0.268 133 T C -0.981 173.321 174.700 -0.664 0.000 1.034 133 T CA 1.440 63.105 62.100 -0.724 0.000 1.149 133 T CB -1.004 67.109 68.868 -1.258 0.000 0.860 133 T HN 0.285 nan 8.240 nan 0.000 0.449 134 P HA -0.083 nan 4.420 nan 0.000 0.215 134 P C 1.710 178.841 177.300 -0.281 0.000 1.157 134 P CA 1.101 63.900 63.100 -0.502 0.000 0.863 134 P CB -0.068 31.351 31.700 -0.468 0.000 0.787 135 Q N -0.348 119.302 119.800 -0.249 0.000 2.050 135 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 135 Q C 2.076 177.967 176.000 -0.183 0.000 0.980 135 Q CA 1.418 57.108 55.803 -0.187 0.000 0.840 135 Q CB -0.698 27.936 28.738 -0.173 0.000 0.898 135 Q HN 0.158 nan 8.270 nan 0.000 0.424 136 L N -0.146 120.958 121.223 -0.197 0.000 2.083 136 L HA -0.228 4.112 4.340 0.001 0.000 0.209 136 L C 2.575 179.393 176.870 -0.086 0.000 1.083 136 L CA 0.776 55.523 54.840 -0.154 0.000 0.752 136 L CB -0.376 41.606 42.059 -0.128 0.000 0.899 136 L HN 0.391 nan 8.230 nan 0.000 0.433 137 M N -0.610 118.942 119.600 -0.080 0.000 2.077 137 M HA -0.157 4.324 4.480 0.001 0.000 0.261 137 M C 2.399 178.681 176.300 -0.030 0.000 1.070 137 M CA 1.758 57.054 55.300 -0.006 0.000 1.125 137 M CB -1.052 31.544 32.600 -0.007 0.000 1.339 137 M HN 0.207 nan 8.290 nan 0.000 0.409 138 L N -0.117 121.064 121.223 -0.071 0.000 2.042 138 L HA -0.227 4.114 4.340 0.001 0.000 0.210 138 L C 2.033 178.864 176.870 -0.064 0.000 1.076 138 L CA 1.308 56.110 54.840 -0.063 0.000 0.749 138 L CB -0.587 41.426 42.059 -0.076 0.000 0.893 138 L HN 0.344 nan 8.230 nan 0.000 0.432 139 K N -0.281 120.068 120.400 -0.085 0.000 2.458 139 K HA 0.147 4.468 4.320 0.001 0.000 0.194 139 K C 1.072 177.626 176.600 -0.076 0.000 1.024 139 K CA 0.386 56.617 56.287 -0.093 0.000 1.108 139 K CB 0.304 32.725 32.500 -0.131 0.000 0.846 139 K HN 0.190 nan 8.250 nan 0.000 0.518 140 A N 0.480 123.273 122.820 -0.046 0.000 2.564 140 A HA 0.371 4.692 4.320 0.001 0.000 0.279 140 A C 1.007 178.593 177.584 0.003 0.000 1.232 140 A CA 0.195 52.222 52.037 -0.015 0.000 0.950 140 A CB 0.055 19.065 19.000 0.017 0.000 1.138 140 A HN 0.290 nan 8.150 nan 0.000 0.526 141 G N -0.466 108.326 108.800 -0.013 0.000 2.160 141 G HA2 -0.209 3.752 3.960 0.001 0.000 0.251 141 G HA3 -0.209 3.752 3.960 0.001 0.000 0.251 141 G C -0.132 174.770 174.900 0.003 0.000 1.008 141 G CA 0.565 45.660 45.100 -0.009 0.000 0.724 141 G HN 0.548 nan 8.290 nan 0.000 0.514 142 L N -1.217 120.012 121.223 0.011 0.000 2.346 142 L HA 0.624 4.964 4.340 0.001 0.000 0.276 142 L C 0.781 177.656 176.870 0.008 0.000 1.006 142 L CA -0.952 53.900 54.840 0.020 0.000 0.817 142 L CB 2.024 44.115 42.059 0.053 0.000 1.272 142 L HN 0.032 nan 8.230 nan 0.000 0.421 143 Q N 1.797 121.602 119.800 0.008 0.000 2.194 143 Q HA 0.500 4.841 4.340 0.001 0.000 0.214 143 Q C -0.398 175.617 176.000 0.024 0.000 0.838 143 Q CA -0.027 55.779 55.803 0.005 0.000 0.972 143 Q CB 1.591 30.329 28.738 -0.001 0.000 1.131 143 Q HN 0.660 nan 8.270 nan 0.000 0.498 144 A N -0.119 122.725 122.820 0.039 0.000 2.594 144 A HA 0.921 5.242 4.320 0.001 0.000 0.295 144 A C -1.558 176.087 177.584 0.101 0.000 1.071 144 A CA -0.388 51.691 52.037 0.070 0.000 0.685 144 A CB 1.409 20.437 19.000 0.047 0.000 1.285 144 A HN 0.080 nan 8.150 nan 0.000 0.405 145 A N 0.283 123.211 122.820 0.180 0.000 2.455 145 A HA 0.885 5.206 4.320 0.001 0.000 0.300 145 A C -0.272 177.473 177.584 0.268 0.000 1.040 145 A CA 0.101 52.303 52.037 0.275 0.000 0.697 145 A CB 1.322 20.572 19.000 0.417 0.000 1.265 145 A HN 2.457 nan 8.150 nan 0.000 0.407 146 A N 1.492 124.379 122.820 0.112 0.000 2.305 146 A HA 0.926 5.247 4.320 0.001 0.000 0.322 146 A C -0.547 177.043 177.584 0.011 0.000 1.187 146 A CA -0.423 51.505 52.037 -0.181 0.000 0.825 146 A CB 0.090 18.754 19.000 -0.560 0.000 1.164 146 A HN 1.876 nan 8.150 nan 0.000 0.498 147 F N -0.844 118.914 119.950 -0.321 0.000 2.645 147 F HA 0.732 5.260 4.527 0.001 0.000 0.310 147 F C 0.517 176.288 175.800 -0.048 0.000 1.102 147 F CA -0.343 57.603 58.000 -0.089 0.000 0.952 147 F CB 1.408 40.402 39.000 -0.009 0.000 1.326 147 F HN 0.530 nan 8.300 nan 0.000 0.456 148 G N 0.571 109.461 108.800 0.149 0.000 2.781 148 G HA2 0.279 4.239 3.960 0.001 0.000 0.208 148 G HA3 0.279 4.239 3.960 0.001 0.000 0.208 148 G C 0.007 175.102 174.900 0.326 0.000 1.099 148 G CA -0.388 44.814 45.100 0.170 0.000 0.776 148 G HN 0.466 nan 8.290 nan 0.000 0.532 149 R N -0.725 120.006 120.500 0.384 0.000 2.562 149 R HA 0.542 4.883 4.340 0.001 0.000 0.298 149 R C 0.654 177.116 176.300 0.271 0.000 0.961 149 R CA 0.103 56.405 56.100 0.337 0.000 0.881 149 R CB 1.917 32.432 30.300 0.360 0.000 1.159 149 R HN 0.219 nan 8.270 nan 0.000 0.450 150 G N 1.872 110.764 108.800 0.153 0.000 2.201 150 G HA2 -0.168 3.792 3.960 0.001 0.000 0.212 150 G HA3 -0.168 3.792 3.960 0.001 0.000 0.212 150 G C -0.143 174.785 174.900 0.047 0.000 0.994 150 G CA -0.586 44.555 45.100 0.068 0.000 0.644 150 G HN 0.393 nan 8.290 nan 0.000 0.508 151 I N 0.691 121.305 120.570 0.074 0.000 2.465 151 I HA 0.495 4.665 4.170 0.001 0.000 0.291 151 I C 0.356 176.431 176.117 -0.069 0.000 1.014 151 I CA -1.145 60.171 61.300 0.026 0.000 1.093 151 I CB 1.710 39.746 38.000 0.059 0.000 1.267 151 I HN 0.185 nan 8.210 nan 0.000 0.431 152 R N 7.956 128.404 120.500 -0.088 0.000 2.215 152 R HA 0.426 4.767 4.340 0.001 0.000 0.337 152 R C -2.508 173.670 176.300 -0.203 0.000 1.010 152 R CA -1.390 54.623 56.100 -0.145 0.000 0.871 152 R CB 1.094 31.332 30.300 -0.104 0.000 1.134 152 R HN 0.294 nan 8.270 nan 0.000 0.477 153 P HA 0.115 nan 4.420 nan 0.000 0.280 153 P C -0.907 176.209 177.300 -0.307 0.000 1.244 153 P CA -0.203 62.615 63.100 -0.471 0.000 0.784 153 P CB 1.655 32.752 31.700 -1.006 0.000 0.913 154 T N -0.458 114.058 114.554 -0.065 0.000 2.940 154 T HA 0.667 5.018 4.350 0.001 0.000 0.288 154 T C 0.764 175.541 174.700 0.128 0.000 1.033 154 T CA -0.741 61.402 62.100 0.071 0.000 1.033 154 T CB 1.339 70.200 68.868 -0.011 0.000 1.079 154 T HN 0.392 nan 8.240 nan 0.000 0.496 155 G N -0.095 108.724 108.800 0.031 0.000 2.525 155 G HA2 0.397 4.358 3.960 0.001 0.000 0.276 155 G HA3 0.397 4.358 3.960 0.001 0.000 0.276 155 G C 0.162 174.918 174.900 -0.240 0.000 1.388 155 G CA -0.737 44.227 45.100 -0.227 0.000 1.050 155 G HN 0.910 nan 8.290 nan 0.000 0.520 156 F N -2.029 117.916 119.950 -0.008 0.000 2.660 156 F HA 0.386 4.914 4.527 0.001 0.000 0.302 156 F C 1.271 177.082 175.800 0.018 0.000 1.103 156 F CA -0.622 57.381 58.000 0.005 0.000 1.340 156 F CB -0.008 39.102 39.000 0.182 0.000 1.048 156 F HN 0.251 nan 8.300 nan 0.000 0.551 157 N N -0.259 118.448 118.700 0.011 0.000 2.294 157 N HA 0.083 4.823 4.740 0.001 0.000 0.186 157 N C -0.229 175.299 175.510 0.028 0.000 1.107 157 N CA -0.140 52.946 53.050 0.059 0.000 0.884 157 N CB 0.211 38.678 38.487 -0.034 0.000 1.030 157 N HN 0.158 nan 8.380 nan 0.000 0.482 158 N N 0.846 119.544 118.700 -0.004 0.000 2.319 158 N HA 0.173 4.914 4.740 0.001 0.000 0.305 158 N C -0.447 175.066 175.510 0.005 0.000 1.103 158 N CA -0.186 52.866 53.050 0.002 0.000 0.815 158 N CB 1.214 39.698 38.487 -0.006 0.000 1.288 158 N HN 0.082 nan 8.380 nan 0.000 0.493 159 Q N 0.489 120.296 119.800 0.012 0.000 2.269 159 Q HA 0.364 4.705 4.340 0.001 0.000 0.300 159 Q C 0.434 176.436 176.000 0.003 0.000 1.070 159 Q CA 0.031 55.840 55.803 0.011 0.000 0.957 159 Q CB -0.880 27.867 28.738 0.015 0.000 1.131 159 Q HN 0.649 nan 8.270 nan 0.000 0.377 160 V N 1.907 121.818 119.914 -0.005 0.000 2.655 160 V HA 0.381 4.502 4.120 0.001 0.000 0.300 160 V C 0.364 176.459 176.094 0.003 0.000 1.044 160 V CA 0.048 62.341 62.300 -0.011 0.000 1.095 160 V CB 1.256 33.064 31.823 -0.025 0.000 0.952 160 V HN 0.938 nan 8.190 nan 0.000 0.485 161 D N 3.416 123.823 120.400 0.012 0.000 2.347 161 D HA 0.223 4.863 4.640 0.001 0.000 0.235 161 D C 1.468 177.779 176.300 0.018 0.000 1.149 161 D CA 0.452 54.466 54.000 0.025 0.000 0.850 161 D CB 1.581 42.412 40.800 0.051 0.000 1.061 161 D HN 0.782 nan 8.370 nan 0.000 0.487 162 T N -0.101 114.459 114.554 0.011 0.000 3.007 162 T HA -0.156 4.195 4.350 0.001 0.000 0.270 162 T C 1.695 176.395 174.700 -0.001 0.000 1.107 162 T CA 1.131 63.231 62.100 0.000 0.000 1.118 162 T CB -0.169 68.700 68.868 0.001 0.000 0.889 162 T HN 0.283 nan 8.240 nan 0.000 0.506 163 S N 0.709 116.421 115.700 0.019 0.000 2.522 163 S HA 0.075 4.545 4.470 0.001 0.000 0.227 163 S C 0.626 175.256 174.600 0.051 0.000 0.986 163 S CA -0.255 57.964 58.200 0.032 0.000 0.929 163 S CB -0.430 62.798 63.200 0.047 0.000 0.769 163 S HN 0.660 nan 8.310 nan 0.000 0.529 164 E N 1.489 121.719 120.200 0.050 0.000 1.941 164 E HA 0.368 4.718 4.350 0.001 0.000 0.275 164 E C 0.988 177.525 176.600 -0.106 0.000 1.113 164 E CA -0.108 56.320 56.400 0.046 0.000 0.878 164 E CB 0.969 30.727 29.700 0.096 0.000 1.070 164 E HN 0.532 nan 8.360 nan 0.000 0.399 165 K N 2.053 122.301 120.400 -0.253 0.000 2.288 165 K HA -0.093 4.228 4.320 0.001 0.000 0.201 165 K C 0.627 176.730 176.600 -0.828 0.000 1.048 165 K CA 1.181 57.111 56.287 -0.595 0.000 0.956 165 K CB -0.252 31.731 32.500 -0.862 0.000 0.746 165 K HN 0.438 nan 8.250 nan 0.000 0.461 166 Y N 0.249 120.511 120.300 -0.064 0.000 2.696 166 Y HA 0.387 4.937 4.550 0.001 0.000 0.260 166 Y C 0.337 176.171 175.900 -0.110 0.000 1.165 166 Y CA -1.061 56.982 58.100 -0.095 0.000 1.189 166 Y CB 0.166 38.562 38.460 -0.106 0.000 1.180 166 Y HN 0.008 nan 8.280 nan 0.000 0.538 167 S N 0.046 115.722 115.700 -0.041 0.000 2.617 167 S HA 0.617 5.088 4.470 0.001 0.000 0.283 167 S C -0.068 174.497 174.600 -0.058 0.000 1.189 167 S CA -0.663 57.507 58.200 -0.050 0.000 1.036 167 S CB 1.808 64.987 63.200 -0.036 0.000 1.014 167 S HN 0.236 nan 8.310 nan 0.000 0.522 168 S N 0.502 116.158 115.700 -0.075 0.000 2.570 168 S HA 0.368 4.839 4.470 0.001 0.000 0.286 168 S C 0.474 175.003 174.600 -0.118 0.000 1.099 168 S CA -0.584 57.574 58.200 -0.070 0.000 0.913 168 S CB 1.813 64.984 63.200 -0.048 0.000 1.085 168 S HN 0.742 nan 8.310 nan 0.000 0.480 169 Q N 1.158 120.854 119.800 -0.173 0.000 2.049 169 Q HA 0.208 4.548 4.340 0.001 0.000 0.198 169 Q C -0.587 175.139 176.000 -0.457 0.000 0.971 169 Q CA 1.459 57.004 55.803 -0.430 0.000 0.833 169 Q CB 0.050 28.363 28.738 -0.708 0.000 0.896 169 Q HN 0.703 nan 8.270 nan 0.000 0.434 170 F N -1.526 118.490 119.950 0.110 0.000 2.631 170 F HA 0.266 4.794 4.527 0.001 0.000 0.350 170 F C 1.232 177.073 175.800 0.067 0.000 1.080 170 F CA -0.662 57.429 58.000 0.152 0.000 1.026 170 F CB 1.117 40.207 39.000 0.150 0.000 1.347 170 F HN -0.112 nan 8.300 nan 0.000 0.501 171 S N -1.815 114.084 115.700 0.333 0.000 2.603 171 S HA 0.156 4.626 4.470 0.001 0.000 0.220 171 S C -0.178 174.471 174.600 0.082 0.000 0.967 171 S CA 0.047 58.320 58.200 0.122 0.000 0.920 171 S CB -0.745 62.551 63.200 0.160 0.000 0.773 171 S HN 0.515 nan 8.310 nan 0.000 0.529 172 E N 1.464 121.763 120.200 0.166 0.000 2.187 172 E HA 0.715 5.066 4.350 0.001 0.000 0.268 172 E C -0.305 176.388 176.600 0.155 0.000 0.896 172 E CA -0.622 55.851 56.400 0.122 0.000 0.766 172 E CB 1.824 31.578 29.700 0.090 0.000 1.142 172 E HN 0.561 nan 8.360 nan 0.000 0.408 173 I N -1.914 118.738 120.570 0.136 0.000 3.042 173 I HA 0.674 4.845 4.170 0.001 0.000 0.310 173 I C -0.499 175.713 176.117 0.158 0.000 1.117 173 I CA -1.068 60.319 61.300 0.144 0.000 1.003 173 I CB 2.432 40.504 38.000 0.119 0.000 1.228 173 I HN 0.292 nan 8.210 nan 0.000 0.443 174 S N 3.181 118.969 115.700 0.147 0.000 2.430 174 S HA 0.320 4.791 4.470 0.001 0.000 0.289 174 S C -1.221 173.516 174.600 0.228 0.000 1.143 174 S CA -0.356 57.941 58.200 0.161 0.000 1.067 174 S CB 0.214 63.482 63.200 0.115 0.000 0.964 174 S HN 0.573 nan 8.310 nan 0.000 0.485 175 W N 6.351 127.670 121.300 0.031 0.000 2.291 175 W HA 0.377 5.038 4.660 0.001 0.000 0.312 175 W C -0.418 176.094 176.519 -0.013 0.000 1.061 175 W CA -1.168 56.179 57.345 0.003 0.000 1.296 175 W CB 0.363 29.805 29.460 -0.029 0.000 1.223 175 W HN 0.671 nan 8.180 nan 0.000 0.421 176 Q N 4.431 124.434 119.800 0.339 0.000 2.307 176 Q HA 0.568 4.909 4.340 0.001 0.000 0.262 176 Q C 0.178 176.236 176.000 0.096 0.000 0.961 176 Q CA -0.317 55.566 55.803 0.134 0.000 0.882 176 Q CB 1.390 30.191 28.738 0.105 0.000 1.264 176 Q HN 0.636 nan 8.270 nan 0.000 0.446 177 G N 2.860 111.640 108.800 -0.034 0.000 2.522 177 G HA2 0.343 4.303 3.960 0.001 0.000 0.304 177 G HA3 0.343 4.303 3.960 0.001 0.000 0.304 177 G C -1.842 173.055 174.900 -0.005 0.000 1.210 177 G CA -1.184 43.881 45.100 -0.058 0.000 0.960 177 G HN 0.611 nan 8.290 nan 0.000 0.497 178 P HA -0.051 nan 4.420 nan 0.000 0.225 178 P C 0.636 177.948 177.300 0.020 0.000 1.148 178 P CA 1.128 64.246 63.100 0.030 0.000 0.779 178 P CB 0.251 31.980 31.700 0.048 0.000 0.780 179 D N -1.862 118.536 120.400 -0.004 0.000 2.349 179 D HA -0.038 4.603 4.640 0.001 0.000 0.214 179 D C 0.718 177.008 176.300 -0.018 0.000 1.063 179 D CA -0.355 53.639 54.000 -0.010 0.000 0.847 179 D CB -0.911 39.870 40.800 -0.031 0.000 0.933 179 D HN 0.054 nan 8.370 nan 0.000 0.513 180 N N -0.631 118.061 118.700 -0.014 0.000 2.979 180 N HA -0.154 4.586 4.740 0.001 0.000 0.234 180 N C -0.854 174.641 175.510 -0.024 0.000 0.938 180 N CA 0.464 53.508 53.050 -0.010 0.000 0.961 180 N CB -1.290 37.195 38.487 -0.004 0.000 1.089 180 N HN 0.068 nan 8.380 nan 0.000 0.576 181 S N 0.675 116.346 115.700 -0.050 0.000 2.549 181 S HA 0.181 4.651 4.470 0.001 0.000 0.286 181 S C 0.441 175.004 174.600 -0.061 0.000 1.314 181 S CA 0.303 58.462 58.200 -0.067 0.000 1.062 181 S CB 0.981 64.117 63.200 -0.107 0.000 0.865 181 S HN 0.167 nan 8.310 nan 0.000 0.498 182 R N 1.798 122.275 120.500 -0.039 0.000 2.599 182 R HA 0.670 5.011 4.340 0.001 0.000 0.295 182 R C -0.324 175.970 176.300 -0.011 0.000 0.963 182 R CA -0.607 55.489 56.100 -0.006 0.000 0.883 182 R CB 1.301 31.617 30.300 0.027 0.000 1.171 182 R HN 0.674 nan 8.270 nan 0.000 0.450 183 I N -0.968 119.611 120.570 0.016 0.000 3.042 183 I HA 0.482 4.653 4.170 0.001 0.000 0.310 183 I C -0.850 175.340 176.117 0.122 0.000 1.117 183 I CA -1.550 59.772 61.300 0.038 0.000 1.003 183 I CB 1.502 39.495 38.000 -0.011 0.000 1.228 183 I HN 0.330 nan 8.210 nan 0.000 0.443 184 L N 2.988 124.276 121.223 0.107 0.000 2.418 184 L HA 0.559 4.900 4.340 0.001 0.000 0.274 184 L C 0.324 177.325 176.870 0.218 0.000 1.135 184 L CA 0.632 55.551 54.840 0.133 0.000 0.870 184 L CB 0.413 42.518 42.059 0.077 0.000 1.154 184 L HN 0.802 nan 8.230 nan 0.000 0.462 185 G N 5.751 114.718 108.800 0.279 0.000 2.335 185 G HA2 0.501 4.462 3.960 0.001 0.000 0.314 185 G HA3 0.501 4.462 3.960 0.001 0.000 0.314 185 G C -1.148 173.870 174.900 0.196 0.000 1.129 185 G CA -0.526 44.813 45.100 0.398 0.000 0.912 185 G HN 0.499 nan 8.290 nan 0.000 0.443 186 L N 3.118 124.393 121.223 0.087 0.000 2.264 186 L HA 0.403 4.743 4.340 0.001 0.000 0.287 186 L C -0.188 176.350 176.870 -0.554 0.000 1.039 186 L CA -0.831 53.918 54.840 -0.152 0.000 0.829 186 L CB 1.314 43.290 42.059 -0.139 0.000 1.211 186 L HN 0.452 nan 8.230 nan 0.000 0.427 187 L N 4.355 125.241 121.223 -0.563 0.000 2.276 187 L HA 0.450 4.791 4.340 0.001 0.000 0.286 187 L C -0.510 176.035 176.870 -0.541 0.000 1.061 187 L CA 0.229 54.570 54.840 -0.833 0.000 0.807 187 L CB 0.497 42.182 42.059 -0.624 0.000 1.177 187 L HN 0.318 nan 8.230 nan 0.000 0.429 188 F N 5.677 125.429 119.950 -0.329 0.000 2.678 188 F HA 0.254 4.782 4.527 0.001 0.000 0.358 188 F C 1.560 177.310 175.800 -0.083 0.000 1.256 188 F CA 0.265 58.166 58.000 -0.166 0.000 1.278 188 F CB -0.678 38.196 39.000 -0.211 0.000 1.681 188 F HN 0.743 nan 8.300 nan 0.000 0.661 189 A N 1.529 124.382 122.820 0.054 0.000 2.019 189 A HA -0.209 4.112 4.320 0.001 0.000 0.219 189 A C 1.610 179.256 177.584 0.103 0.000 1.164 189 A CA 1.490 53.511 52.037 -0.027 0.000 0.644 189 A CB -0.488 18.454 19.000 -0.096 0.000 0.805 189 A HN 0.624 nan 8.150 nan 0.000 0.449 190 N N -2.235 116.586 118.700 0.202 0.000 2.275 190 N HA 0.227 4.967 4.740 0.001 0.000 0.236 190 N C -0.515 175.139 175.510 0.241 0.000 1.154 190 N CA -0.210 52.959 53.050 0.199 0.000 0.866 190 N CB 0.186 38.781 38.487 0.181 0.000 1.093 190 N HN 0.567 nan 8.380 nan 0.000 0.515 191 W N 0.637 121.916 121.300 -0.035 0.000 3.078 191 W HA -0.339 4.322 4.660 0.001 0.000 0.332 191 W C -0.311 176.065 176.519 -0.238 0.000 0.493 191 W CA -0.080 57.152 57.345 -0.188 0.000 0.459 191 W CB -0.307 28.964 29.460 -0.315 0.000 2.859 191 W HN 0.270 nan 8.180 nan 0.000 0.416 192 Y N 0.751 120.496 120.300 -0.925 0.000 2.519 192 Y HA 0.268 4.819 4.550 0.001 0.000 0.311 192 Y C 1.591 177.316 175.900 -0.292 0.000 1.207 192 Y CA 0.871 58.380 58.100 -0.984 0.000 1.289 192 Y CB -1.071 36.493 38.460 -1.492 0.000 1.059 192 Y HN 0.257 nan 8.280 nan 0.000 0.507 193 S N -1.090 114.559 115.700 -0.085 0.000 2.629 193 S HA -0.003 4.468 4.470 0.001 0.000 0.236 193 S C 1.364 176.036 174.600 0.120 0.000 1.010 193 S CA -0.124 58.156 58.200 0.133 0.000 0.981 193 S CB -0.625 62.681 63.200 0.176 0.000 0.919 193 S HN 0.590 nan 8.310 nan 0.000 0.514 194 N N 3.058 121.812 118.700 0.090 0.000 2.205 194 N HA -0.074 4.667 4.740 0.001 0.000 0.186 194 N C 1.325 176.865 175.510 0.050 0.000 1.015 194 N CA 1.753 54.834 53.050 0.052 0.000 0.862 194 N CB -1.136 37.391 38.487 0.067 0.000 0.986 194 N HN 0.505 nan 8.380 nan 0.000 0.429 195 G N -0.386 108.506 108.800 0.153 0.000 3.434 195 G HA2 0.026 3.986 3.960 0.001 0.000 0.258 195 G HA3 0.026 3.986 3.960 0.001 0.000 0.258 195 G C 0.053 175.111 174.900 0.263 0.000 1.128 195 G CA -0.513 44.739 45.100 0.254 0.000 0.792 195 G HN 0.286 nan 8.290 nan 0.000 0.539 196 N N 1.440 120.272 118.700 0.219 0.000 2.492 196 N HA 0.084 4.824 4.740 0.001 0.000 0.260 196 N C 0.390 175.974 175.510 0.122 0.000 1.215 196 N CA 0.108 53.253 53.050 0.158 0.000 0.923 196 N CB 0.098 38.667 38.487 0.137 0.000 1.092 196 N HN 0.357 nan 8.380 nan 0.000 0.448 197 E N 0.692 120.915 120.200 0.038 0.000 2.222 197 E HA -0.243 4.107 4.350 0.001 0.000 0.189 197 E C -0.516 175.916 176.600 -0.280 0.000 1.415 197 E CA 0.181 56.551 56.400 -0.050 0.000 0.689 197 E CB -1.316 28.383 29.700 -0.003 0.000 1.107 197 E HN 0.499 nan 8.360 nan 0.000 0.350 198 I N 1.275 121.606 120.570 -0.398 0.000 2.533 198 I HA 0.091 4.261 4.170 0.001 0.000 0.284 198 I C -1.697 174.082 176.117 -0.564 0.000 1.109 198 I CA -1.712 59.070 61.300 -0.863 0.000 1.412 198 I CB 0.084 37.811 38.000 -0.454 0.000 1.396 198 I HN -0.040 nan 8.210 nan 0.000 0.543 199 P HA 0.041 nan 4.420 nan 0.000 0.269 199 P C 0.412 177.613 177.300 -0.166 0.000 1.215 199 P CA -0.079 62.837 63.100 -0.307 0.000 0.780 199 P CB 0.535 32.082 31.700 -0.254 0.000 0.898 200 T N -3.743 110.755 114.554 -0.092 0.000 3.132 200 T HA 0.205 4.556 4.350 0.001 0.000 0.274 200 T C 0.166 174.849 174.700 -0.028 0.000 1.011 200 T CA -0.238 61.833 62.100 -0.048 0.000 0.899 200 T CB -0.727 68.118 68.868 -0.037 0.000 1.089 200 T HN 0.463 nan 8.240 nan 0.000 0.543 201 T N -1.485 113.053 114.554 -0.027 0.000 2.861 201 T HA 0.498 4.849 4.350 0.001 0.000 0.287 201 T C 0.754 175.456 174.700 0.003 0.000 1.003 201 T CA -0.770 61.323 62.100 -0.011 0.000 0.977 201 T CB 2.811 71.672 68.868 -0.012 0.000 0.996 201 T HN 0.118 nan 8.240 nan 0.000 0.448 202 E N 2.205 122.409 120.200 0.007 0.000 2.049 202 E HA -0.220 4.131 4.350 0.001 0.000 0.198 202 E C 2.268 178.889 176.600 0.035 0.000 1.007 202 E CA 1.653 58.064 56.400 0.018 0.000 0.809 202 E CB -0.474 29.226 29.700 0.000 0.000 0.749 202 E HN 0.834 nan 8.360 nan 0.000 0.450 203 A N 0.823 123.657 122.820 0.024 0.000 1.873 203 A HA -0.267 4.054 4.320 0.001 0.000 0.218 203 A C 1.987 179.600 177.584 0.048 0.000 1.193 203 A CA 2.137 54.192 52.037 0.031 0.000 0.629 203 A CB -0.712 18.300 19.000 0.019 0.000 0.826 203 A HN 0.326 nan 8.150 nan 0.000 0.447 204 E N -0.104 120.117 120.200 0.036 0.000 2.106 204 E HA 0.046 4.397 4.350 0.001 0.000 0.192 204 E C 2.194 178.833 176.600 0.065 0.000 0.984 204 E CA 1.208 57.631 56.400 0.038 0.000 0.806 204 E CB -0.481 29.220 29.700 0.002 0.000 0.750 204 E HN 0.587 nan 8.360 nan 0.000 0.458 205 A N 0.950 123.811 122.820 0.068 0.000 1.933 205 A HA -0.191 4.130 4.320 0.001 0.000 0.218 205 A C 2.024 179.804 177.584 0.327 0.000 1.175 205 A CA 1.463 53.590 52.037 0.149 0.000 0.628 205 A CB -0.336 18.776 19.000 0.187 0.000 0.814 205 A HN 0.085 nan 8.150 nan 0.000 0.444 206 R N -0.512 120.138 120.500 0.250 0.000 2.080 206 R HA -0.079 4.262 4.340 0.001 0.000 0.236 206 R C 2.097 178.550 176.300 0.255 0.000 1.137 206 R CA 1.614 57.880 56.100 0.277 0.000 0.943 206 R CB -0.635 29.747 30.300 0.136 0.000 0.846 206 R HN 0.492 nan 8.270 nan 0.000 0.431 207 L N -0.295 121.026 121.223 0.164 0.000 2.013 207 L HA -0.235 4.106 4.340 0.001 0.000 0.212 207 L C 2.366 179.302 176.870 0.110 0.000 1.073 207 L CA 1.402 56.312 54.840 0.117 0.000 0.753 207 L CB -0.462 41.646 42.059 0.081 0.000 0.890 207 L HN 0.154 nan 8.230 nan 0.000 0.432 208 F N -0.337 119.576 119.950 -0.062 0.000 2.031 208 F HA -0.264 4.264 4.527 0.001 0.000 0.295 208 F C 2.152 177.825 175.800 -0.211 0.000 1.133 208 F CA 1.736 59.605 58.000 -0.219 0.000 1.188 208 F CB -0.493 38.261 39.000 -0.412 0.000 0.974 208 F HN -0.042 nan 8.300 nan 0.000 0.473 209 W N 0.743 122.214 121.300 0.285 0.000 2.402 209 W HA -0.155 4.506 4.660 0.002 0.000 0.286 209 W C 2.243 178.708 176.519 -0.091 0.000 1.221 209 W CA 0.702 58.079 57.345 0.052 0.000 1.257 209 W CB -0.435 28.988 29.460 -0.063 0.000 1.120 209 W HN 0.008 nan 8.180 nan 0.000 0.551 210 D N 0.134 120.678 120.400 0.240 0.000 2.123 210 D HA -0.193 4.447 4.640 0.001 0.000 0.196 210 D C 1.860 178.187 176.300 0.045 0.000 0.992 210 D CA 1.430 55.521 54.000 0.151 0.000 0.833 210 D CB -0.379 40.519 40.800 0.164 0.000 0.954 210 D HN 0.144 nan 8.370 nan 0.000 0.455 211 K N 0.422 120.810 120.400 -0.021 0.000 2.007 211 K HA -0.117 4.204 4.320 0.001 0.000 0.206 211 K C 1.880 178.409 176.600 -0.118 0.000 1.047 211 K CA 0.948 57.182 56.287 -0.088 0.000 0.937 211 K CB 0.186 32.598 32.500 -0.146 0.000 0.718 211 K HN -0.191 nan 8.250 nan 0.000 0.438 212 K N 0.992 121.266 120.400 -0.211 0.000 2.057 212 K HA -0.041 4.280 4.320 0.001 0.000 0.206 212 K C 1.944 178.565 176.600 0.035 0.000 1.050 212 K CA 1.112 57.289 56.287 -0.184 0.000 0.935 212 K CB -0.240 31.983 32.500 -0.461 0.000 0.715 212 K HN 0.142 nan 8.250 nan 0.000 0.439 213 L N -0.222 121.061 121.223 0.100 0.000 2.017 213 L HA -0.169 4.172 4.340 0.001 0.000 0.208 213 L C 2.371 179.271 176.870 0.050 0.000 1.073 213 L CA 1.405 56.281 54.840 0.061 0.000 0.745 213 L CB -0.686 41.285 42.059 -0.146 0.000 0.894 213 L HN 0.163 nan 8.230 nan 0.000 0.432 214 A N -0.030 122.802 122.820 0.020 0.000 1.908 214 A HA -0.247 4.073 4.320 0.001 0.000 0.218 214 A C 1.931 179.485 177.584 -0.050 0.000 1.181 214 A CA 2.102 54.141 52.037 0.003 0.000 0.627 214 A CB -0.569 18.427 19.000 -0.007 0.000 0.818 214 A HN 0.362 nan 8.150 nan 0.000 0.445 215 D N -0.036 120.336 120.400 -0.047 0.000 2.097 215 D HA -0.061 4.580 4.640 0.001 0.000 0.195 215 D C 2.249 178.531 176.300 -0.030 0.000 0.989 215 D CA 1.681 55.646 54.000 -0.058 0.000 0.827 215 D CB -0.428 40.363 40.800 -0.016 0.000 0.966 215 D HN 0.427 nan 8.370 nan 0.000 0.456 216 A N 0.867 123.719 122.820 0.052 0.000 1.897 216 A HA -0.147 4.173 4.320 0.001 0.000 0.215 216 A C 2.042 179.694 177.584 0.115 0.000 1.181 216 A CA 1.210 53.323 52.037 0.126 0.000 0.620 216 A CB -0.492 18.601 19.000 0.155 0.000 0.821 216 A HN 0.167 nan 8.150 nan 0.000 0.443 217 E N -0.654 119.603 120.200 0.095 0.000 2.153 217 E HA -0.218 4.133 4.350 0.001 0.000 0.194 217 E C 2.181 178.862 176.600 0.135 0.000 0.988 217 E CA 0.961 57.452 56.400 0.151 0.000 0.811 217 E CB -0.175 29.628 29.700 0.172 0.000 0.746 217 E HN 0.578 nan 8.360 nan 0.000 0.466 218 R N -0.021 120.375 120.500 -0.175 0.000 2.117 218 R HA -0.172 4.169 4.340 0.001 0.000 0.243 218 R C 1.074 177.016 176.300 -0.596 0.000 1.143 218 R CA 1.587 57.315 56.100 -0.622 0.000 0.968 218 R CB 0.014 29.668 30.300 -1.077 0.000 0.863 218 R HN 0.132 nan 8.270 nan 0.000 0.444 219 F N -0.975 119.069 119.950 0.156 0.000 2.728 219 F HA 0.429 4.957 4.527 0.001 0.000 0.314 219 F C 0.503 176.553 175.800 0.417 0.000 1.094 219 F CA -0.479 57.668 58.000 0.244 0.000 1.217 219 F CB 0.095 39.173 39.000 0.131 0.000 1.056 219 F HN -0.072 nan 8.300 nan 0.000 0.577 220 A N 0.718 123.800 122.820 0.437 0.000 2.450 220 A HA 0.379 4.700 4.320 0.001 0.000 0.255 220 A C 1.411 179.037 177.584 0.070 0.000 1.096 220 A CA 0.448 52.648 52.037 0.272 0.000 0.778 220 A CB 0.111 19.229 19.000 0.196 0.000 1.031 220 A HN 0.333 nan 8.150 nan 0.000 0.494 221 S N 1.336 116.885 115.700 -0.251 0.000 2.562 221 S HA 0.120 4.590 4.470 0.001 0.000 0.221 221 S C 0.814 175.163 174.600 -0.418 0.000 0.975 221 S CA 0.766 58.443 58.200 -0.872 0.000 0.918 221 S CB -0.571 62.083 63.200 -0.910 0.000 0.772 221 S HN 1.338 nan 8.310 nan 0.000 0.531 222 T N -1.002 113.443 114.554 -0.182 0.000 2.831 222 T HA 0.465 4.816 4.350 0.001 0.000 0.287 222 T C 0.426 175.063 174.700 -0.106 0.000 1.070 222 T CA -0.739 61.294 62.100 -0.113 0.000 1.010 222 T CB 1.570 70.443 68.868 0.007 0.000 1.264 222 T HN 0.146 nan 8.240 nan 0.000 0.532 223 K N -0.627 119.650 120.400 -0.205 0.000 2.515 223 K HA -0.038 4.283 4.320 0.001 0.000 0.196 223 K C 0.127 176.536 176.600 -0.317 0.000 1.038 223 K CA 0.509 56.615 56.287 -0.303 0.000 0.967 223 K CB -0.410 31.848 32.500 -0.404 0.000 0.780 223 K HN 0.591 nan 8.250 nan 0.000 0.483 224 H N 1.687 120.770 119.070 0.022 0.000 2.761 224 H HA 0.216 4.773 4.556 0.001 0.000 0.284 224 H C -0.412 175.086 175.328 0.284 0.000 1.105 224 H CA -0.492 55.652 56.048 0.161 0.000 1.352 224 H CB 0.618 30.383 29.762 0.005 0.000 1.423 224 H HN 0.079 nan 8.280 nan 0.000 0.464 225 L N 4.549 125.989 121.223 0.361 0.000 2.275 225 L HA 0.165 4.506 4.340 0.001 0.000 0.288 225 L C 0.103 177.131 176.870 0.263 0.000 1.046 225 L CA -0.904 54.100 54.840 0.273 0.000 0.805 225 L CB 1.262 43.415 42.059 0.156 0.000 1.193 225 L HN 0.255 nan 8.230 nan 0.000 0.426 226 L N 5.399 126.701 121.223 0.132 0.000 2.255 226 L HA 0.413 4.753 4.340 0.001 0.000 0.289 226 L C -0.411 176.484 176.870 0.042 0.000 1.046 226 L CA 0.060 54.831 54.840 -0.114 0.000 0.816 226 L CB 0.740 42.590 42.059 -0.349 0.000 1.197 226 L HN 0.479 nan 8.230 nan 0.000 0.427 227 M N 6.608 126.255 119.600 0.077 0.000 2.072 227 M HA 0.370 4.851 4.480 0.001 0.000 0.331 227 M C -0.784 175.591 176.300 0.124 0.000 1.004 227 M CA -0.445 54.963 55.300 0.179 0.000 0.952 227 M CB 1.456 34.277 32.600 0.368 0.000 1.511 227 M HN 0.441 nan 8.290 nan 0.000 0.422 228 M N 3.124 122.792 119.600 0.113 0.000 2.201 228 M HA 0.176 4.657 4.480 0.001 0.000 0.345 228 M C 0.451 176.903 176.300 0.253 0.000 1.352 228 M CA 0.176 55.547 55.300 0.117 0.000 1.218 228 M CB -0.509 32.078 32.600 -0.021 0.000 1.512 228 M HN 0.512 nan 8.290 nan 0.000 0.447 229 N N 2.805 121.663 118.700 0.263 0.000 2.968 229 N HA 0.361 5.102 4.740 0.001 0.000 0.271 229 N C -0.323 175.235 175.510 0.080 0.000 1.174 229 N CA 0.067 53.238 53.050 0.202 0.000 1.096 229 N CB 0.348 38.953 38.487 0.197 0.000 1.403 229 N HN 0.877 nan 8.380 nan 0.000 0.522 230 G N 0.528 109.312 108.800 -0.028 0.000 2.320 230 G HA2 0.415 4.376 3.960 0.001 0.000 0.296 230 G HA3 0.415 4.376 3.960 0.001 0.000 0.296 230 G C -1.816 173.028 174.900 -0.094 0.000 1.306 230 G CA -0.405 44.445 45.100 -0.418 0.000 0.836 230 G HN 0.509 nan 8.290 nan 0.000 0.517 231 C N -1.422 117.862 119.300 -0.027 0.000 3.253 231 C HA 0.541 5.002 4.460 0.001 0.000 0.361 231 C C -1.373 173.784 174.990 0.278 0.000 1.498 231 C CA -0.671 58.510 59.018 0.271 0.000 1.163 231 C CB 0.839 28.705 27.740 0.211 0.000 1.687 231 C HN 0.846 nan 8.230 nan 0.000 0.430 232 D N 1.193 121.796 120.400 0.337 0.000 2.434 232 D HA 0.266 4.907 4.640 0.001 0.000 0.252 232 D C 0.431 176.771 176.300 0.066 0.000 1.185 232 D CA 1.212 55.326 54.000 0.189 0.000 0.886 232 D CB -0.159 40.835 40.800 0.324 0.000 1.148 232 D HN 0.721 nan 8.370 nan 0.000 0.483 233 H N -0.520 118.549 119.070 -0.002 0.000 2.731 233 H HA -0.249 4.307 4.556 0.001 0.000 0.305 233 H C 0.142 175.554 175.328 0.140 0.000 1.132 233 H CA 0.445 56.340 56.048 -0.255 0.000 1.148 233 H CB -1.229 28.244 29.762 -0.482 0.000 1.379 233 H HN 0.306 nan 8.280 nan 0.000 0.398 234 Q N 1.630 121.603 119.800 0.290 0.000 2.297 234 Q HA 0.237 4.578 4.340 0.001 0.000 0.267 234 Q C -2.341 173.857 176.000 0.331 0.000 1.006 234 Q CA -1.730 54.227 55.803 0.255 0.000 0.896 234 Q CB 0.922 29.756 28.738 0.161 0.000 1.186 234 Q HN 0.150 nan 8.270 nan 0.000 0.392 235 P HA -0.052 nan 4.420 nan 0.000 0.269 235 P C -1.010 176.396 177.300 0.177 0.000 1.215 235 P CA -0.402 62.817 63.100 0.198 0.000 0.780 235 P CB 0.576 32.355 31.700 0.131 0.000 0.898 236 V N 2.502 122.472 119.914 0.094 0.000 2.673 236 V HA -0.046 4.075 4.120 0.001 0.000 0.303 236 V C 0.294 176.480 176.094 0.153 0.000 1.046 236 V CA 0.119 62.506 62.300 0.145 0.000 1.126 236 V CB 0.196 31.939 31.823 -0.135 0.000 0.934 236 V HN 0.476 nan 8.190 nan 0.000 0.487 237 Q N 5.184 125.132 119.800 0.246 0.000 2.369 237 Q HA 0.231 4.572 4.340 0.001 0.000 0.247 237 Q C 0.660 176.782 176.000 0.202 0.000 1.083 237 Q CA -0.245 55.664 55.803 0.177 0.000 0.905 237 Q CB 0.688 29.517 28.738 0.152 0.000 1.305 237 Q HN 0.924 nan 8.270 nan 0.000 0.465 238 L N 2.827 124.112 121.223 0.103 0.000 2.201 238 L HA -0.135 4.206 4.340 0.001 0.000 0.212 238 L C 1.001 177.935 176.870 0.107 0.000 1.105 238 L CA 0.941 55.822 54.840 0.068 0.000 0.775 238 L CB -0.166 41.888 42.059 -0.009 0.000 0.913 238 L HN 0.676 nan 8.230 nan 0.000 0.440 239 D N -1.540 118.911 120.400 0.084 0.000 2.525 239 D HA -0.026 4.615 4.640 0.001 0.000 0.229 239 D C 1.508 177.835 176.300 0.044 0.000 1.202 239 D CA -0.113 53.923 54.000 0.059 0.000 0.828 239 D CB -0.008 40.805 40.800 0.023 0.000 1.008 239 D HN -0.045 nan 8.370 nan 0.000 0.493 240 V N 0.185 120.142 119.914 0.071 0.000 2.490 240 V HA -0.246 3.875 4.120 0.001 0.000 0.250 240 V C 1.968 177.999 176.094 -0.106 0.000 1.061 240 V CA 2.297 64.578 62.300 -0.032 0.000 1.064 240 V CB -0.436 31.335 31.823 -0.086 0.000 0.670 240 V HN 0.323 nan 8.190 nan 0.000 0.461 241 T N -0.227 114.291 114.554 -0.060 0.000 2.684 241 T HA -0.247 4.104 4.350 0.001 0.000 0.267 241 T C 1.887 176.572 174.700 -0.024 0.000 1.036 241 T CA 2.090 64.160 62.100 -0.050 0.000 1.148 241 T CB -0.267 68.630 68.868 0.048 0.000 0.863 241 T HN 0.521 nan 8.240 nan 0.000 0.436 242 K N 0.861 121.260 120.400 -0.003 0.000 2.063 242 K HA -0.103 4.217 4.320 0.001 0.000 0.208 242 K C 2.479 179.064 176.600 -0.024 0.000 1.048 242 K CA 1.353 57.635 56.287 -0.008 0.000 0.928 242 K CB -0.331 32.169 32.500 -0.001 0.000 0.713 242 K HN 0.286 nan 8.250 nan 0.000 0.442 243 A N 1.199 124.003 122.820 -0.027 0.000 1.902 243 A HA -0.147 4.174 4.320 0.001 0.000 0.217 243 A C 2.088 179.657 177.584 -0.025 0.000 1.181 243 A CA 1.584 53.609 52.037 -0.020 0.000 0.623 243 A CB -0.554 18.429 19.000 -0.028 0.000 0.818 243 A HN 0.353 nan 8.150 nan 0.000 0.443 244 I N -0.266 120.277 120.570 -0.045 0.000 2.226 244 I HA -0.263 3.908 4.170 0.001 0.000 0.245 244 I C 2.969 179.013 176.117 -0.122 0.000 1.100 244 I CA 0.984 62.234 61.300 -0.082 0.000 1.374 244 I CB -0.334 37.643 38.000 -0.038 0.000 1.057 244 I HN 0.352 nan 8.210 nan 0.000 0.413 245 A N 0.751 123.531 122.820 -0.068 0.000 1.883 245 A HA -0.241 4.080 4.320 0.001 0.000 0.217 245 A C 2.269 179.805 177.584 -0.080 0.000 1.186 245 A CA 1.766 53.771 52.037 -0.053 0.000 0.624 245 A CB -0.888 18.098 19.000 -0.023 0.000 0.822 245 A HN 0.393 nan 8.150 nan 0.000 0.444 246 L N -0.280 120.894 121.223 -0.081 0.000 2.046 246 L HA -0.064 4.277 4.340 0.001 0.000 0.208 246 L C 2.662 179.446 176.870 -0.144 0.000 1.077 246 L CA 2.235 57.030 54.840 -0.075 0.000 0.747 246 L CB -0.817 41.222 42.059 -0.032 0.000 0.896 246 L HN 0.349 nan 8.230 nan 0.000 0.432 247 A N -0.459 122.175 122.820 -0.311 0.000 1.902 247 A HA -0.229 4.091 4.320 0.001 0.000 0.217 247 A C 2.142 179.360 177.584 -0.610 0.000 1.181 247 A CA 1.855 53.433 52.037 -0.765 0.000 0.623 247 A CB -0.838 17.060 19.000 -1.837 0.000 0.818 247 A HN 0.614 nan 8.150 nan 0.000 0.443 248 N N -0.209 118.270 118.700 -0.368 0.000 2.149 248 N HA -0.177 4.564 4.740 0.001 0.000 0.188 248 N C 1.935 177.454 175.510 0.015 0.000 1.019 248 N CA 1.588 54.630 53.050 -0.013 0.000 0.857 248 N CB -0.358 38.151 38.487 0.037 0.000 0.997 248 N HN 0.673 nan 8.380 nan 0.000 0.426 249 Q N 0.308 120.083 119.800 -0.041 0.000 2.079 249 Q HA 0.001 4.342 4.340 0.001 0.000 0.200 249 Q C 2.176 178.140 176.000 -0.061 0.000 0.974 249 Q CA 0.842 56.624 55.803 -0.034 0.000 0.840 249 Q CB -0.046 28.666 28.738 -0.043 0.000 0.898 249 Q HN 0.367 nan 8.270 nan 0.000 0.430 250 L N -0.861 120.295 121.223 -0.112 0.000 2.217 250 L HA -0.081 4.260 4.340 0.001 0.000 0.211 250 L C 0.159 176.744 176.870 -0.476 0.000 1.107 250 L CA 0.631 55.294 54.840 -0.296 0.000 0.783 250 L CB 0.151 41.999 42.059 -0.352 0.000 0.919 250 L HN 0.193 nan 8.230 nan 0.000 0.442 251 Y N -1.340 118.967 120.300 0.013 0.000 2.749 251 Y HA 0.278 4.829 4.550 0.001 0.000 0.343 251 Y C -1.742 174.278 175.900 0.201 0.000 1.015 251 Y CA -2.031 56.146 58.100 0.127 0.000 1.270 251 Y CB 0.548 39.094 38.460 0.144 0.000 1.097 251 Y HN -0.117 nan 8.280 nan 0.000 0.571 252 P HA -0.133 nan 4.420 nan 0.000 0.219 252 P C 0.574 177.971 177.300 0.162 0.000 1.146 252 P CA 1.507 64.700 63.100 0.154 0.000 0.808 252 P CB 0.435 32.187 31.700 0.087 0.000 0.779 253 D N -2.621 117.921 120.400 0.237 0.000 2.340 253 D HA 0.030 4.671 4.640 0.001 0.000 0.220 253 D C -0.093 176.114 176.300 -0.155 0.000 1.039 253 D CA 0.497 54.531 54.000 0.056 0.000 0.866 253 D CB -0.141 40.680 40.800 0.035 0.000 0.913 253 D HN 0.287 nan 8.370 nan 0.000 0.523 254 Y N 0.492 120.804 120.300 0.020 0.000 2.361 254 Y HA 0.208 4.759 4.550 0.001 0.000 0.337 254 Y C 0.249 176.076 175.900 -0.123 0.000 0.965 254 Y CA -0.980 57.032 58.100 -0.147 0.000 1.091 254 Y CB 1.893 40.184 38.460 -0.282 0.000 1.182 254 Y HN -0.284 nan 8.280 nan 0.000 0.450 255 E N 4.741 124.865 120.200 -0.127 0.000 2.014 255 E HA 0.275 4.626 4.350 0.001 0.000 0.275 255 E C -1.509 174.976 176.600 -0.191 0.000 0.997 255 E CA -0.458 55.895 56.400 -0.077 0.000 0.804 255 E CB 0.390 30.031 29.700 -0.099 0.000 1.090 255 E HN 0.504 nan 8.360 nan 0.000 0.401 256 F N 4.038 123.926 119.950 -0.103 0.000 2.424 256 F HA 0.208 4.735 4.527 0.001 0.000 0.356 256 F C 0.290 176.021 175.800 -0.115 0.000 1.110 256 F CA -0.585 57.326 58.000 -0.147 0.000 1.161 256 F CB 1.198 40.070 39.000 -0.213 0.000 1.115 256 F HN 0.173 nan 8.300 nan 0.000 0.507 257 V N 0.522 120.435 119.914 -0.002 0.000 2.709 257 V HA 0.391 4.511 4.120 0.001 0.000 0.308 257 V C -0.544 175.555 176.094 0.009 0.000 1.062 257 V CA -0.887 61.391 62.300 -0.037 0.000 0.901 257 V CB 1.480 33.208 31.823 -0.159 0.000 1.003 257 V HN 0.828 nan 8.190 nan 0.000 0.425 258 H N 2.698 121.700 119.070 -0.114 0.000 3.017 258 H HA 0.481 5.038 4.556 0.001 0.000 0.276 258 H C 0.147 175.273 175.328 -0.337 0.000 1.062 258 H CA 0.622 56.578 56.048 -0.153 0.000 1.486 258 H CB 0.869 30.556 29.762 -0.124 0.000 1.507 258 H HN 0.946 nan 8.280 nan 0.000 0.508 259 S N 3.142 118.666 115.700 -0.293 0.000 2.837 259 S HA 0.697 5.168 4.470 0.001 0.000 0.314 259 S C -0.885 173.565 174.600 -0.251 0.000 1.098 259 S CA -0.118 57.874 58.200 -0.347 0.000 0.903 259 S CB 0.970 64.162 63.200 -0.013 0.000 1.310 259 S HN 0.864 nan 8.310 nan 0.000 0.581 260 C N -0.905 118.324 119.300 -0.119 0.000 3.311 260 C HA 0.669 5.130 4.460 0.001 0.000 0.325 260 C C 0.768 175.707 174.990 -0.085 0.000 1.352 260 C CA -0.789 58.182 59.018 -0.079 0.000 1.308 260 C CB -0.742 27.081 27.740 0.138 0.000 1.619 260 C HN 0.793 nan 8.230 nan 0.000 0.469 261 F N 0.756 120.692 119.950 -0.023 0.000 2.216 261 F HA -0.013 4.514 4.527 0.001 0.000 0.300 261 F C 2.485 178.307 175.800 0.037 0.000 1.085 261 F CA 2.218 60.206 58.000 -0.020 0.000 1.326 261 F CB -0.249 38.678 39.000 -0.122 0.000 1.027 261 F HN 0.914 nan 8.300 nan 0.000 0.497 262 E N 0.276 120.601 120.200 0.208 0.000 2.051 262 E HA -0.220 4.131 4.350 0.001 0.000 0.192 262 E C 1.669 178.320 176.600 0.085 0.000 0.991 262 E CA 1.706 58.181 56.400 0.126 0.000 0.799 262 E CB -0.042 29.717 29.700 0.098 0.000 0.748 262 E HN 0.248 nan 8.360 nan 0.000 0.449 263 D N -0.439 120.016 120.400 0.092 0.000 2.117 263 D HA -0.164 4.477 4.640 0.001 0.000 0.198 263 D C 1.617 177.926 176.300 0.014 0.000 0.982 263 D CA 0.822 54.862 54.000 0.066 0.000 0.828 263 D CB -0.478 40.378 40.800 0.093 0.000 0.967 263 D HN 0.276 nan 8.370 nan 0.000 0.464 264 Y N 1.384 121.595 120.300 -0.148 0.000 2.128 264 Y HA -0.162 4.389 4.550 0.001 0.000 0.284 264 Y C 2.147 177.881 175.900 -0.277 0.000 1.154 264 Y CA 1.332 59.185 58.100 -0.411 0.000 1.149 264 Y CB -0.397 37.834 38.460 -0.383 0.000 0.976 264 Y HN -0.080 nan 8.280 nan 0.000 0.505 265 L N -0.722 120.445 121.223 -0.094 0.000 2.093 265 L HA -0.191 4.150 4.340 0.001 0.000 0.208 265 L C 2.755 179.518 176.870 -0.179 0.000 1.085 265 L CA 1.005 55.766 54.840 -0.131 0.000 0.755 265 L CB -0.948 41.118 42.059 0.011 0.000 0.904 265 L HN 0.308 nan 8.230 nan 0.000 0.435 266 A N 0.038 122.778 122.820 -0.133 0.000 1.883 266 A HA -0.252 4.069 4.320 0.001 0.000 0.217 266 A C 1.932 179.396 177.584 -0.200 0.000 1.186 266 A CA 2.119 54.083 52.037 -0.121 0.000 0.624 266 A CB -0.563 18.400 19.000 -0.063 0.000 0.822 266 A HN 0.338 nan 8.150 nan 0.000 0.444 267 D N -0.053 120.153 120.400 -0.324 0.000 2.117 267 D HA -0.106 4.535 4.640 0.001 0.000 0.197 267 D C 1.940 177.887 176.300 -0.589 0.000 0.987 267 D CA 0.877 54.561 54.000 -0.528 0.000 0.829 267 D CB -0.325 39.934 40.800 -0.902 0.000 0.961 267 D HN 0.434 nan 8.370 nan 0.000 0.460 268 L N 0.523 121.385 121.223 -0.603 0.000 2.046 268 L HA -0.155 4.185 4.340 0.001 0.000 0.208 268 L C 2.487 179.227 176.870 -0.217 0.000 1.077 268 L CA 1.030 55.624 54.840 -0.411 0.000 0.747 268 L CB -0.435 41.366 42.059 -0.430 0.000 0.896 268 L HN -0.005 nan 8.230 nan 0.000 0.432 269 A N 0.035 122.746 122.820 -0.182 0.000 1.917 269 A HA -0.262 4.059 4.320 0.001 0.000 0.219 269 A C 1.876 179.408 177.584 -0.085 0.000 1.182 269 A CA 2.181 54.154 52.037 -0.107 0.000 0.633 269 A CB -0.519 18.430 19.000 -0.085 0.000 0.819 269 A HN 0.388 nan 8.150 nan 0.000 0.448 270 D N -0.227 120.116 120.400 -0.095 0.000 2.144 270 D HA -0.075 4.566 4.640 0.001 0.000 0.200 270 D C 0.805 177.082 176.300 -0.038 0.000 0.978 270 D CA 1.395 55.361 54.000 -0.056 0.000 0.833 270 D CB -0.196 40.579 40.800 -0.041 0.000 0.961 270 D HN 0.450 nan 8.370 nan 0.000 0.470 271 D N -0.545 119.830 120.400 -0.042 0.000 2.479 271 D HA 0.112 4.753 4.640 0.001 0.000 0.216 271 D C 0.737 177.010 176.300 -0.045 0.000 1.110 271 D CA -0.195 53.798 54.000 -0.012 0.000 0.841 271 D CB 1.001 41.852 40.800 0.085 0.000 1.040 271 D HN 0.148 nan 8.370 nan 0.000 0.505 272 L N 3.248 124.430 121.223 -0.067 0.000 2.514 272 L HA 0.090 4.431 4.340 0.001 0.000 0.280 272 L C -1.719 175.115 176.870 -0.060 0.000 1.223 272 L CA -1.000 53.795 54.840 -0.075 0.000 0.864 272 L CB 0.050 42.069 42.059 -0.067 0.000 1.118 272 L HN -0.158 nan 8.230 nan 0.000 0.494 273 P HA 0.105 nan 4.420 nan 0.000 0.272 273 P C 0.411 177.705 177.300 -0.011 0.000 1.223 273 P CA -0.078 62.998 63.100 -0.040 0.000 0.784 273 P CB 0.627 32.303 31.700 -0.041 0.000 0.923 274 E N 2.125 122.324 120.200 -0.002 0.000 2.171 274 E HA -0.181 4.170 4.350 0.001 0.000 0.197 274 E C 0.622 177.235 176.600 0.022 0.000 0.997 274 E CA 1.359 57.763 56.400 0.007 0.000 0.810 274 E CB -0.500 29.203 29.700 0.006 0.000 0.738 274 E HN 0.526 nan 8.360 nan 0.000 0.467 275 N N -0.712 118.010 118.700 0.036 0.000 2.346 275 N HA 0.578 5.318 4.740 0.001 0.000 0.289 275 N C -1.077 174.485 175.510 0.086 0.000 1.027 275 N CA -0.348 52.735 53.050 0.055 0.000 0.864 275 N CB 1.962 40.481 38.487 0.052 0.000 1.370 275 N HN 0.243 nan 8.380 nan 0.000 0.481 276 L N 0.333 121.615 121.223 0.098 0.000 2.303 276 L HA 0.482 4.822 4.340 0.001 0.000 0.266 276 L C 0.561 177.507 176.870 0.127 0.000 1.011 276 L CA -0.962 53.967 54.840 0.148 0.000 0.818 276 L CB 1.458 43.603 42.059 0.144 0.000 1.326 276 L HN 0.337 nan 8.230 nan 0.000 0.435 277 S N 0.345 116.128 115.700 0.139 0.000 2.593 277 S HA 0.010 4.481 4.470 0.001 0.000 0.300 277 S C -0.044 174.600 174.600 0.073 0.000 1.267 277 S CA -0.048 58.199 58.200 0.079 0.000 1.065 277 S CB 0.001 63.231 63.200 0.050 0.000 0.807 277 S HN 0.524 nan 8.310 nan 0.000 0.499 278 T N 3.637 118.221 114.554 0.050 0.000 2.799 278 T HA 0.429 4.780 4.350 0.001 0.000 0.286 278 T C -0.122 174.593 174.700 0.026 0.000 0.973 278 T CA -0.497 61.637 62.100 0.056 0.000 1.035 278 T CB 0.827 69.727 68.868 0.053 0.000 0.932 278 T HN 0.332 nan 8.240 nan 0.000 0.469 279 V N 3.041 122.981 119.914 0.043 0.000 2.459 279 V HA 0.721 4.841 4.120 0.001 0.000 0.295 279 V C 0.306 176.469 176.094 0.115 0.000 1.029 279 V CA -0.762 61.539 62.300 0.001 0.000 0.874 279 V CB 1.211 32.969 31.823 -0.108 0.000 0.985 279 V HN 1.035 nan 8.190 nan 0.000 0.438 280 Q N 2.642 122.500 119.800 0.096 0.000 2.307 280 Q HA 0.722 5.063 4.340 0.001 0.000 0.262 280 Q C 0.589 176.725 176.000 0.228 0.000 0.961 280 Q CA 0.181 56.079 55.803 0.158 0.000 0.882 280 Q CB 1.327 30.111 28.738 0.078 0.000 1.264 280 Q HN 2.123 nan 8.270 nan 0.000 0.446 281 G N 0.867 109.838 108.800 0.285 0.000 2.553 281 G HA2 -0.198 3.763 3.960 0.001 0.000 0.242 281 G HA3 -0.198 3.763 3.960 0.001 0.000 0.242 281 G C 0.185 175.298 174.900 0.354 0.000 1.277 281 G CA 0.013 45.270 45.100 0.263 0.000 0.910 281 G HN 1.740 nan 8.290 nan 0.000 0.576 282 E N -0.171 120.175 120.200 0.243 0.000 2.383 282 E HA 0.475 4.826 4.350 0.001 0.000 0.264 282 E C -0.114 176.540 176.600 0.091 0.000 1.050 282 E CA -0.390 56.139 56.400 0.216 0.000 0.896 282 E CB 0.910 30.743 29.700 0.221 0.000 0.982 282 E HN 0.575 nan 8.360 nan 0.000 0.424 283 I N 3.373 123.949 120.570 0.010 0.000 2.405 283 I HA 0.117 4.288 4.170 0.001 0.000 0.280 283 I C 0.211 176.276 176.117 -0.087 0.000 1.027 283 I CA -0.511 60.671 61.300 -0.195 0.000 1.161 283 I CB 1.392 39.172 38.000 -0.366 0.000 1.300 283 I HN 0.744 nan 8.210 nan 0.000 0.463 284 T N -0.985 113.478 114.554 -0.152 0.000 3.288 284 T HA 0.150 4.500 4.350 0.001 0.000 0.293 284 T C 0.599 175.300 174.700 0.003 0.000 1.008 284 T CA -0.336 61.766 62.100 0.005 0.000 0.929 284 T CB 0.172 69.040 68.868 0.000 0.000 1.152 284 T HN 0.421 nan 8.240 nan 0.000 0.517 285 S N 1.173 116.823 115.700 -0.083 0.000 3.698 285 S HA -0.218 4.252 4.470 0.001 0.000 0.338 285 S C 1.198 175.830 174.600 0.053 0.000 1.089 285 S CA 0.910 59.098 58.200 -0.020 0.000 0.991 285 S CB -1.753 61.488 63.200 0.069 0.000 0.909 285 S HN 0.731 nan 8.310 nan 0.000 0.485 286 Q N 0.934 120.667 119.800 -0.112 0.000 2.135 286 Q HA -0.073 4.268 4.340 0.001 0.000 0.204 286 Q C 1.180 177.283 176.000 0.172 0.000 0.981 286 Q CA 1.480 57.293 55.803 0.018 0.000 0.856 286 Q CB -0.012 28.648 28.738 -0.129 0.000 0.902 286 Q HN 0.735 nan 8.270 nan 0.000 0.425 287 E N 0.615 120.815 120.200 0.000 0.000 2.462 287 E HA 0.114 4.465 4.350 0.001 0.000 0.255 287 E C -0.537 175.819 176.600 -0.407 0.000 1.311 287 E CA -0.133 56.078 56.400 -0.314 0.000 1.629 287 E CB 0.294 29.640 29.700 -0.589 0.000 1.510 287 E HN 0.286 nan 8.360 nan 0.000 0.438 288 T N -3.302 111.256 114.554 0.006 0.000 2.742 288 T HA 0.120 4.470 4.350 0.001 0.000 0.282 288 T C 0.758 175.485 174.700 0.046 0.000 1.025 288 T CA -0.729 61.383 62.100 0.020 0.000 1.020 288 T CB 1.195 70.053 68.868 -0.017 0.000 1.317 288 T HN -0.012 nan 8.240 nan 0.000 0.538 289 D N -0.766 119.606 120.400 -0.048 0.000 2.348 289 D HA 0.179 4.820 4.640 0.001 0.000 0.216 289 D C 1.699 177.482 176.300 -0.862 0.000 0.970 289 D CA 1.105 54.986 54.000 -0.199 0.000 0.889 289 D CB -0.871 39.945 40.800 0.027 0.000 0.912 289 D HN 1.404 nan 8.370 nan 0.000 0.524 290 G N -0.714 107.453 108.800 -1.054 0.000 2.179 290 G HA2 -0.321 3.640 3.960 0.001 0.000 0.260 290 G HA3 -0.321 3.640 3.960 0.001 0.000 0.260 290 G C 0.693 174.927 174.900 -1.109 0.000 0.977 290 G CA 0.228 44.171 45.100 -1.929 0.000 0.641 290 G HN 0.407 nan 8.290 nan 0.000 0.533 291 W N -1.109 119.750 121.300 -0.735 0.000 2.640 291 W HA 0.437 5.098 4.660 0.001 0.000 0.268 291 W C 1.261 177.220 176.519 -0.932 0.000 1.263 291 W CA 0.495 57.338 57.345 -0.836 0.000 1.344 291 W CB 0.293 29.122 29.460 -1.052 0.000 1.093 291 W HN 0.312 nan 8.180 nan 0.000 0.603 292 Y N -0.510 119.812 120.300 0.037 0.000 2.698 292 Y HA 0.131 4.682 4.550 0.001 0.000 0.261 292 Y C 1.937 177.822 175.900 -0.025 0.000 1.104 292 Y CA -0.095 58.004 58.100 -0.001 0.000 1.145 292 Y CB -0.741 37.699 38.460 -0.035 0.000 1.191 292 Y HN -0.150 nan 8.280 nan 0.000 0.564 293 T N -2.842 111.743 114.554 0.052 0.000 2.995 293 T HA -0.066 4.285 4.350 0.001 0.000 0.269 293 T C 1.148 175.928 174.700 0.134 0.000 1.091 293 T CA 0.792 62.954 62.100 0.104 0.000 1.128 293 T CB -0.364 68.577 68.868 0.121 0.000 0.891 293 T HN 0.442 nan 8.240 nan 0.000 0.492 294 L N -0.917 120.362 121.223 0.092 0.000 4.291 294 L HA -0.252 4.088 4.340 0.001 0.000 0.413 294 L C 1.837 178.832 176.870 0.208 0.000 1.162 294 L CA 0.131 55.035 54.840 0.107 0.000 0.961 294 L CB -2.454 39.500 42.059 -0.175 0.000 2.095 294 L HN 0.423 nan 8.230 nan 0.000 0.838 295 A N -0.096 122.821 122.820 0.162 0.000 2.015 295 A HA -0.125 4.196 4.320 0.001 0.000 0.219 295 A C 1.696 179.242 177.584 -0.062 0.000 1.163 295 A CA 1.992 54.073 52.037 0.074 0.000 0.646 295 A CB -0.453 18.536 19.000 -0.019 0.000 0.806 295 A HN 0.716 nan 8.150 nan 0.000 0.448 296 N N 0.040 118.744 118.700 0.007 0.000 2.573 296 N HA -0.095 4.646 4.740 0.001 0.000 0.187 296 N C 1.538 177.069 175.510 0.036 0.000 1.107 296 N CA 1.234 54.283 53.050 -0.002 0.000 0.918 296 N CB -0.280 38.227 38.487 0.033 0.000 0.966 296 N HN 0.700 nan 8.380 nan 0.000 0.448 297 T N -2.027 112.590 114.554 0.106 0.000 2.849 297 T HA -0.129 4.222 4.350 0.001 0.000 0.270 297 T C 2.000 176.750 174.700 0.084 0.000 1.066 297 T CA 0.967 63.140 62.100 0.122 0.000 1.130 297 T CB -0.373 68.663 68.868 0.279 0.000 0.864 297 T HN 0.205 nan 8.240 nan 0.000 0.481 298 A N 2.068 124.909 122.820 0.036 0.000 1.978 298 A HA -0.048 4.273 4.320 0.001 0.000 0.220 298 A C 2.558 180.132 177.584 -0.017 0.000 1.170 298 A CA 2.027 54.061 52.037 -0.005 0.000 0.636 298 A CB -0.788 18.100 19.000 -0.187 0.000 0.810 298 A HN 0.799 nan 8.150 nan 0.000 0.448 299 S N -1.531 114.150 115.700 -0.031 0.000 2.539 299 S HA 0.605 5.076 4.470 0.001 0.000 0.221 299 S C 0.684 175.267 174.600 -0.029 0.000 0.987 299 S CA 0.291 58.474 58.200 -0.028 0.000 0.929 299 S CB -0.292 62.888 63.200 -0.034 0.000 0.832 299 S HN 0.845 nan 8.310 nan 0.000 0.492 300 A N 2.324 125.126 122.820 -0.030 0.000 2.488 300 A HA 0.525 4.846 4.320 0.001 0.000 0.249 300 A C 0.714 178.222 177.584 -0.126 0.000 1.083 300 A CA -0.489 51.516 52.037 -0.054 0.000 0.768 300 A CB -0.394 18.572 19.000 -0.057 0.000 1.017 300 A HN 0.556 nan 8.150 nan 0.000 0.496 301 R N 1.709 122.133 120.500 -0.126 0.000 3.022 301 R HA -0.197 4.143 4.340 0.001 0.000 0.248 301 R C 0.450 176.519 176.300 -0.385 0.000 0.874 301 R CA 0.612 56.528 56.100 -0.306 0.000 0.626 301 R CB -1.724 28.215 30.300 -0.602 0.000 1.255 301 R HN 0.798 nan 8.270 nan 0.000 0.496 302 I N 0.484 120.990 120.570 -0.107 0.000 2.335 302 I HA -0.372 3.798 4.170 0.001 0.000 0.251 302 I C 2.367 178.477 176.117 -0.011 0.000 1.129 302 I CA 1.911 63.190 61.300 -0.035 0.000 1.402 302 I CB -0.363 37.662 38.000 0.041 0.000 1.069 302 I HN 0.559 nan 8.210 nan 0.000 0.424 303 Y N 0.563 120.919 120.300 0.093 0.000 2.181 303 Y HA -0.253 4.297 4.550 0.001 0.000 0.284 303 Y C 2.155 178.066 175.900 0.020 0.000 1.179 303 Y CA 1.231 59.379 58.100 0.080 0.000 1.179 303 Y CB -1.313 37.212 38.460 0.108 0.000 0.973 303 Y HN 0.040 nan 8.280 nan 0.000 0.519 304 L N -0.015 120.932 121.223 -0.461 0.000 2.046 304 L HA -0.176 4.165 4.340 0.001 0.000 0.208 304 L C 2.425 179.189 176.870 -0.176 0.000 1.077 304 L CA 1.762 56.484 54.840 -0.196 0.000 0.747 304 L CB -0.517 41.452 42.059 -0.151 0.000 0.896 304 L HN 0.127 nan 8.230 nan 0.000 0.432 305 K N -0.112 120.217 120.400 -0.118 0.000 2.103 305 K HA -0.122 4.198 4.320 0.001 0.000 0.204 305 K C 2.161 178.708 176.600 -0.087 0.000 1.052 305 K CA 1.038 57.285 56.287 -0.065 0.000 0.945 305 K CB -0.177 32.313 32.500 -0.017 0.000 0.722 305 K HN 0.297 nan 8.250 nan 0.000 0.443 306 Q N -0.273 119.506 119.800 -0.035 0.000 2.050 306 Q HA -0.093 4.247 4.340 0.001 0.000 0.202 306 Q C 2.165 178.131 176.000 -0.057 0.000 0.980 306 Q CA 1.539 57.373 55.803 0.051 0.000 0.840 306 Q CB -0.254 28.567 28.738 0.137 0.000 0.898 306 Q HN 0.359 nan 8.270 nan 0.000 0.424 307 A N 1.409 124.077 122.820 -0.253 0.000 1.883 307 A HA -0.272 4.048 4.320 0.001 0.000 0.217 307 A C 1.855 179.002 177.584 -0.729 0.000 1.186 307 A CA 1.890 53.614 52.037 -0.523 0.000 0.624 307 A CB -0.819 17.716 19.000 -0.774 0.000 0.822 307 A HN 0.374 nan 8.150 nan 0.000 0.444 308 N N -0.526 117.660 118.700 -0.856 0.000 2.104 308 N HA -0.128 4.613 4.740 0.001 0.000 0.190 308 N C 1.675 177.127 175.510 -0.097 0.000 1.024 308 N CA 2.322 55.168 53.050 -0.339 0.000 0.853 308 N CB -0.447 38.048 38.487 0.014 0.000 1.008 308 N HN 0.417 nan 8.380 nan 0.000 0.424 309 T N -0.178 114.288 114.554 -0.147 0.000 2.746 309 T HA -0.145 4.206 4.350 0.001 0.000 0.267 309 T C 1.873 176.495 174.700 -0.129 0.000 1.039 309 T CA 1.264 63.243 62.100 -0.202 0.000 1.142 309 T CB -0.260 68.335 68.868 -0.455 0.000 0.866 309 T HN 0.292 nan 8.240 nan 0.000 0.444 310 R N 0.632 121.131 120.500 -0.002 0.000 2.083 310 R HA -0.090 4.251 4.340 0.001 0.000 0.237 310 R C 2.291 178.692 176.300 0.168 0.000 1.137 310 R CA 1.372 57.567 56.100 0.159 0.000 0.951 310 R CB -0.565 29.792 30.300 0.095 0.000 0.851 310 R HN 0.243 nan 8.270 nan 0.000 0.434 311 V N 0.160 120.146 119.914 0.120 0.000 2.358 311 V HA -0.187 3.934 4.120 0.001 0.000 0.246 311 V C 2.223 178.338 176.094 0.034 0.000 1.047 311 V CA 2.007 64.406 62.300 0.165 0.000 1.035 311 V CB -0.342 31.595 31.823 0.189 0.000 0.658 311 V HN 0.361 nan 8.190 nan 0.000 0.452 312 S N -0.110 115.614 115.700 0.039 0.000 2.359 312 S HA -0.177 4.294 4.470 0.001 0.000 0.224 312 S C 2.166 176.808 174.600 0.071 0.000 1.035 312 S CA 1.229 59.455 58.200 0.043 0.000 1.018 312 S CB -0.319 62.946 63.200 0.109 0.000 0.876 312 S HN 0.438 nan 8.310 nan 0.000 0.448 313 R N 1.128 121.674 120.500 0.075 0.000 2.081 313 R HA -0.020 4.321 4.340 0.001 0.000 0.235 313 R C 2.474 178.843 176.300 0.116 0.000 1.131 313 R CA 1.282 57.446 56.100 0.108 0.000 0.960 313 R CB -1.011 29.362 30.300 0.121 0.000 0.856 313 R HN 0.425 nan 8.270 nan 0.000 0.436 314 Q N 1.016 120.885 119.800 0.116 0.000 2.030 314 Q HA -0.087 4.254 4.340 0.001 0.000 0.204 314 Q C 2.131 178.133 176.000 0.005 0.000 0.986 314 Q CA 1.669 57.515 55.803 0.071 0.000 0.843 314 Q CB -0.347 28.423 28.738 0.053 0.000 0.904 314 Q HN 0.331 nan 8.270 nan 0.000 0.420 315 L N -0.339 120.850 121.223 -0.056 0.000 2.027 315 L HA -0.131 4.209 4.340 0.001 0.000 0.206 315 L C 2.400 179.369 176.870 0.164 0.000 1.074 315 L CA 1.693 56.491 54.840 -0.070 0.000 0.745 315 L CB -0.497 41.268 42.059 -0.491 0.000 0.898 315 L HN 0.304 nan 8.230 nan 0.000 0.433 316 E N 0.349 120.692 120.200 0.238 0.000 2.072 316 E HA -0.140 4.211 4.350 0.001 0.000 0.190 316 E C 1.242 177.980 176.600 0.230 0.000 0.982 316 E CA 1.404 58.001 56.400 0.327 0.000 0.803 316 E CB -0.002 29.898 29.700 0.333 0.000 0.755 316 E HN 0.561 nan 8.360 nan 0.000 0.453 317 N N -1.008 117.793 118.700 0.169 0.000 2.184 317 N HA 0.230 4.971 4.740 0.001 0.000 0.206 317 N C 0.928 176.495 175.510 0.096 0.000 1.151 317 N CA 0.101 53.233 53.050 0.137 0.000 0.878 317 N CB 0.940 39.510 38.487 0.138 0.000 1.014 317 N HN 0.050 nan 8.380 nan 0.000 0.512 318 I N -1.238 119.379 120.570 0.078 0.000 3.669 318 I HA 0.048 4.219 4.170 0.001 0.000 0.255 318 I C 1.443 177.551 176.117 -0.015 0.000 1.144 318 I CA 0.425 61.742 61.300 0.028 0.000 1.447 318 I CB -0.175 37.848 38.000 0.038 0.000 1.622 318 I HN -0.084 nan 8.210 nan 0.000 0.435 319 T N 0.920 115.464 114.554 -0.017 0.000 2.622 319 T HA -0.174 4.177 4.350 0.001 0.000 0.266 319 T C 1.673 176.364 174.700 -0.014 0.000 1.047 319 T CA 1.776 63.841 62.100 -0.058 0.000 1.159 319 T CB -0.306 68.520 68.868 -0.069 0.000 0.863 319 T HN 0.282 nan 8.240 nan 0.000 0.422 320 E N 0.742 120.995 120.200 0.088 0.000 2.031 320 E HA -0.105 4.245 4.350 0.001 0.000 0.193 320 E C -0.523 176.212 176.600 0.225 0.000 0.994 320 E CA 1.279 57.791 56.400 0.186 0.000 0.800 320 E CB -0.917 28.956 29.700 0.290 0.000 0.752 320 E HN 0.395 nan 8.360 nan 0.000 0.447 321 P HA -0.169 nan 4.420 nan 0.000 0.215 321 P C 1.340 178.714 177.300 0.123 0.000 1.153 321 P CA 1.159 64.411 63.100 0.254 0.000 0.853 321 P CB -0.002 31.742 31.700 0.074 0.000 0.788 322 L N -1.003 120.212 121.223 -0.013 0.000 2.017 322 L HA -0.185 4.156 4.340 0.001 0.000 0.208 322 L C 2.520 179.355 176.870 -0.059 0.000 1.073 322 L CA 1.787 56.550 54.840 -0.129 0.000 0.745 322 L CB -1.269 40.619 42.059 -0.286 0.000 0.894 322 L HN -0.053 nan 8.230 nan 0.000 0.432 323 A N -0.152 122.648 122.820 -0.032 0.000 1.933 323 A HA -0.146 4.175 4.320 0.001 0.000 0.218 323 A C 2.525 180.262 177.584 0.256 0.000 1.175 323 A CA 1.610 53.642 52.037 -0.009 0.000 0.628 323 A CB -0.691 18.137 19.000 -0.288 0.000 0.814 323 A HN 0.409 nan 8.150 nan 0.000 0.444 324 A N -0.354 122.664 122.820 0.330 0.000 1.908 324 A HA -0.161 4.160 4.320 0.001 0.000 0.218 324 A C 2.267 179.943 177.584 0.153 0.000 1.181 324 A CA 1.918 54.099 52.037 0.240 0.000 0.627 324 A CB -0.534 18.529 19.000 0.106 0.000 0.818 324 A HN 0.545 nan 8.150 nan 0.000 0.445 325 M N -0.811 118.833 119.600 0.074 0.000 2.200 325 M HA -0.054 4.427 4.480 0.001 0.000 0.265 325 M C 2.483 178.885 176.300 0.169 0.000 1.066 325 M CA 1.202 56.485 55.300 -0.029 0.000 1.127 325 M CB -0.376 32.162 32.600 -0.103 0.000 1.379 325 M HN 0.453 nan 8.290 nan 0.000 0.420 326 A N -0.470 122.420 122.820 0.117 0.000 2.070 326 A HA -0.215 4.106 4.320 0.001 0.000 0.220 326 A C 1.970 179.639 177.584 0.142 0.000 1.159 326 A CA 1.157 53.241 52.037 0.078 0.000 0.656 326 A CB -1.091 17.903 19.000 -0.010 0.000 0.800 326 A HN 0.613 nan 8.150 nan 0.000 0.453 327 Y N 0.524 120.896 120.300 0.119 0.000 2.256 327 Y HA -0.227 4.324 4.550 0.001 0.000 0.288 327 Y C 2.219 178.204 175.900 0.142 0.000 1.155 327 Y CA 2.108 60.291 58.100 0.138 0.000 1.203 327 Y CB -0.108 38.451 38.460 0.165 0.000 0.980 327 Y HN 0.505 nan 8.280 nan 0.000 0.530 328 E N -0.736 119.646 120.200 0.303 0.000 2.160 328 E HA -0.178 4.173 4.350 0.001 0.000 0.195 328 E C 1.921 178.555 176.600 0.058 0.000 0.991 328 E CA 1.443 57.986 56.400 0.239 0.000 0.810 328 E CB -0.027 29.911 29.700 0.396 0.000 0.742 328 E HN 0.437 nan 8.360 nan 0.000 0.466 329 V N -0.042 119.888 119.914 0.028 0.000 2.500 329 V HA -0.123 3.997 4.120 0.001 0.000 0.243 329 V C 2.433 178.475 176.094 -0.086 0.000 1.039 329 V CA 1.894 64.179 62.300 -0.025 0.000 1.053 329 V CB 0.154 31.964 31.823 -0.022 0.000 0.695 329 V HN 0.464 nan 8.190 nan 0.000 0.463 330 T N -4.262 110.219 114.554 -0.121 0.000 3.037 330 T HA 0.040 4.391 4.350 0.001 0.000 0.251 330 T C 1.044 175.608 174.700 -0.226 0.000 1.079 330 T CA 0.770 62.789 62.100 -0.135 0.000 1.067 330 T CB 0.296 69.114 68.868 -0.084 0.000 0.948 330 T HN 0.319 nan 8.240 nan 0.000 0.496 331 S N 0.308 115.719 115.700 -0.483 0.000 3.521 331 S HA -0.139 4.332 4.470 0.001 0.000 0.328 331 S C 0.204 174.532 174.600 -0.453 0.000 1.165 331 S CA 1.101 58.836 58.200 -0.775 0.000 0.941 331 S CB -2.282 60.710 63.200 -0.348 0.000 0.951 331 S HN 0.986 nan 8.310 nan 0.000 0.539 332 T N -0.456 113.982 114.554 -0.193 0.000 2.894 332 T HA 0.645 4.996 4.350 0.001 0.000 0.309 332 T C -1.915 173.015 174.700 0.382 0.000 1.208 332 T CA -0.513 61.708 62.100 0.201 0.000 1.016 332 T CB 1.657 70.585 68.868 0.099 0.000 1.192 332 T HN 0.323 nan 8.240 nan 0.000 0.491 333 Y N 4.088 124.496 120.300 0.180 0.000 2.470 333 Y HA 0.584 5.135 4.550 0.001 0.000 0.341 333 Y C -2.383 173.433 175.900 -0.141 0.000 1.021 333 Y CA -2.182 55.906 58.100 -0.021 0.000 1.025 333 Y CB 2.365 40.719 38.460 -0.177 0.000 1.266 333 Y HN 0.402 nan 8.280 nan 0.000 0.448 334 P HA 0.128 nan 4.420 nan 0.000 0.220 334 P C 0.192 177.404 177.300 -0.146 0.000 1.806 334 P CA 0.444 63.410 63.100 -0.224 0.000 0.976 334 P CB -0.137 31.427 31.700 -0.226 0.000 1.952 335 H N 0.538 119.694 119.070 0.143 0.000 2.319 335 H HA -0.132 4.425 4.556 0.001 0.000 0.299 335 H C 1.036 176.440 175.328 0.127 0.000 1.092 335 H CA 1.756 57.931 56.048 0.211 0.000 1.302 335 H CB -0.265 29.628 29.762 0.218 0.000 1.373 335 H HN 0.288 nan 8.280 nan 0.000 0.497 336 D N 0.647 121.175 120.400 0.213 0.000 2.097 336 D HA -0.102 4.539 4.640 0.001 0.000 0.197 336 D C 2.366 178.744 176.300 0.130 0.000 0.984 336 D CA 0.902 54.986 54.000 0.141 0.000 0.826 336 D CB -0.186 40.666 40.800 0.086 0.000 0.973 336 D HN 0.372 nan 8.370 nan 0.000 0.460 337 Q N 0.155 120.008 119.800 0.090 0.000 2.119 337 Q HA -0.003 4.338 4.340 0.001 0.000 0.201 337 Q C 2.404 178.497 176.000 0.155 0.000 0.972 337 Q CA 0.580 56.438 55.803 0.092 0.000 0.847 337 Q CB -0.220 28.544 28.738 0.043 0.000 0.903 337 Q HN 0.274 nan 8.270 nan 0.000 0.433 338 L N 0.147 121.445 121.223 0.126 0.000 2.046 338 L HA -0.183 4.158 4.340 0.001 0.000 0.208 338 L C 2.630 179.691 176.870 0.318 0.000 1.077 338 L CA 1.256 56.214 54.840 0.197 0.000 0.747 338 L CB -0.330 41.842 42.059 0.188 0.000 0.896 338 L HN 0.215 nan 8.230 nan 0.000 0.432 339 R N -0.701 119.958 120.500 0.265 0.000 2.081 339 R HA -0.263 4.078 4.340 0.001 0.000 0.235 339 R C 2.464 178.887 176.300 0.206 0.000 1.131 339 R CA 1.974 58.207 56.100 0.222 0.000 0.960 339 R CB -0.531 29.856 30.300 0.145 0.000 0.856 339 R HN 0.296 nan 8.270 nan 0.000 0.436 340 Y N 0.743 121.088 120.300 0.074 0.000 2.128 340 Y HA -0.223 4.328 4.550 0.001 0.000 0.284 340 Y C 2.144 178.064 175.900 0.033 0.000 1.154 340 Y CA 1.826 59.950 58.100 0.041 0.000 1.149 340 Y CB -0.472 38.004 38.460 0.026 0.000 0.976 340 Y HN 0.211 nan 8.280 nan 0.000 0.505 341 A N -0.519 122.356 122.820 0.092 0.000 1.902 341 A HA -0.223 4.098 4.320 0.001 0.000 0.217 341 A C 2.066 179.557 177.584 -0.156 0.000 1.181 341 A CA 1.710 53.698 52.037 -0.081 0.000 0.623 341 A CB -1.548 17.407 19.000 -0.075 0.000 0.818 341 A HN 0.754 nan 8.150 nan 0.000 0.443 342 W N 0.048 121.319 121.300 -0.048 0.000 2.381 342 W HA -0.067 4.594 4.660 0.001 0.000 0.301 342 W C 2.420 178.860 176.519 -0.132 0.000 1.205 342 W CA 1.534 58.842 57.345 -0.063 0.000 1.285 342 W CB 0.010 29.450 29.460 -0.035 0.000 1.133 342 W HN 0.218 nan 8.180 nan 0.000 0.521 343 K N -0.639 119.783 120.400 0.037 0.000 2.057 343 K HA -0.133 4.188 4.320 0.001 0.000 0.207 343 K C 1.846 178.426 176.600 -0.033 0.000 1.049 343 K CA 1.881 58.117 56.287 -0.085 0.000 0.931 343 K CB -0.667 31.732 32.500 -0.168 0.000 0.714 343 K HN 0.050 nan 8.250 nan 0.000 0.440 344 T N 2.107 116.544 114.554 -0.195 0.000 2.652 344 T HA -0.168 4.183 4.350 0.001 0.000 0.267 344 T C 1.748 176.322 174.700 -0.211 0.000 1.039 344 T CA 1.311 63.260 62.100 -0.252 0.000 1.153 344 T CB -0.262 68.375 68.868 -0.385 0.000 0.863 344 T HN 0.109 nan 8.240 nan 0.000 0.428 345 L N 0.838 121.941 121.223 -0.201 0.000 2.017 345 L HA 0.075 4.416 4.340 0.001 0.000 0.208 345 L C 2.244 178.860 176.870 -0.422 0.000 1.073 345 L CA 1.787 56.473 54.840 -0.256 0.000 0.745 345 L CB -0.625 41.286 42.059 -0.245 0.000 0.894 345 L HN 0.251 nan 8.230 nan 0.000 0.432 346 M N -1.308 118.141 119.600 -0.251 0.000 2.549 346 M HA -0.161 4.320 4.480 0.001 0.000 0.260 346 M C 1.978 178.243 176.300 -0.058 0.000 1.076 346 M CA 0.958 56.134 55.300 -0.207 0.000 1.090 346 M CB -0.270 32.477 32.600 0.246 0.000 1.418 346 M HN 0.406 nan 8.290 nan 0.000 0.486 347 Q N 0.237 119.988 119.800 -0.081 0.000 2.364 347 Q HA -0.112 4.229 4.340 0.001 0.000 0.209 347 Q C 1.048 176.922 176.000 -0.209 0.000 0.977 347 Q CA 0.793 56.499 55.803 -0.162 0.000 0.885 347 Q CB -0.048 28.572 28.738 -0.196 0.000 0.941 347 Q HN 0.464 nan 8.270 nan 0.000 0.464 348 N N -0.940 117.605 118.700 -0.258 0.000 2.336 348 N HA 0.006 4.747 4.740 0.001 0.000 0.189 348 N C 0.336 175.905 175.510 0.099 0.000 1.113 348 N CA 0.502 53.425 53.050 -0.212 0.000 0.858 348 N CB 0.273 38.421 38.487 -0.565 0.000 0.970 348 N HN 0.427 nan 8.380 nan 0.000 0.471 349 H N -0.972 118.098 119.070 0.000 0.000 2.563 349 H HA 0.165 4.722 4.556 0.001 0.000 0.264 349 H C -1.720 173.620 175.328 0.021 0.000 0.957 349 H CA -1.108 54.972 56.048 0.053 0.000 1.173 349 H CB -0.082 29.743 29.762 0.105 0.000 1.420 349 H HN 0.105 nan 8.280 nan 0.000 0.551 350 P HA -0.128 nan 4.420 nan 0.000 0.264 350 P C 0.715 177.966 177.300 -0.081 0.000 1.183 350 P CA 0.536 63.615 63.100 -0.035 0.000 0.763 350 P CB 0.459 32.074 31.700 -0.142 0.000 0.807 351 H N 2.382 121.411 119.070 -0.069 0.000 2.321 351 H HA -0.211 4.346 4.556 0.001 0.000 0.295 351 H C 0.604 175.891 175.328 -0.069 0.000 1.102 351 H CA 1.884 57.847 56.048 -0.142 0.000 1.266 351 H CB -1.053 28.489 29.762 -0.367 0.000 1.363 351 H HN 0.395 nan 8.280 nan 0.000 0.492 352 D N 0.619 120.804 120.400 -0.358 0.000 2.264 352 D HA -0.040 4.601 4.640 0.001 0.000 0.208 352 D C 2.077 178.418 176.300 0.067 0.000 0.966 352 D CA 0.836 54.765 54.000 -0.118 0.000 0.864 352 D CB 0.098 40.713 40.800 -0.307 0.000 0.933 352 D HN 0.406 nan 8.370 nan 0.000 0.499 353 S N 0.666 116.379 115.700 0.022 0.000 2.315 353 S HA -0.060 4.411 4.470 0.001 0.000 0.211 353 S C 1.903 176.639 174.600 0.226 0.000 1.029 353 S CA -0.020 58.247 58.200 0.112 0.000 0.956 353 S CB -0.076 63.131 63.200 0.011 0.000 0.918 353 S HN 0.103 nan 8.310 nan 0.000 0.470 354 I N 1.772 122.445 120.570 0.172 0.000 2.361 354 I HA -0.117 4.054 4.170 0.001 0.000 0.251 354 I C 1.892 178.098 176.117 0.148 0.000 1.133 354 I CA 0.737 62.155 61.300 0.196 0.000 1.413 354 I CB -0.565 37.548 38.000 0.188 0.000 1.073 354 I HN 0.302 nan 8.210 nan 0.000 0.424 355 C N 1.271 120.663 119.300 0.153 0.000 2.449 355 C HA 0.194 4.655 4.460 0.001 0.000 0.283 355 C C 1.965 176.997 174.990 0.070 0.000 1.453 355 C CA 0.696 59.810 59.018 0.159 0.000 1.779 355 C CB -2.000 25.898 27.740 0.263 0.000 1.779 355 C HN 0.816 nan 8.230 nan 0.000 0.546 356 G N 0.071 108.899 108.800 0.048 0.000 2.160 356 G HA2 -0.296 3.664 3.960 0.001 0.000 0.251 356 G HA3 -0.296 3.664 3.960 0.001 0.000 0.251 356 G C 0.295 175.151 174.900 -0.073 0.000 1.008 356 G CA 0.517 45.462 45.100 -0.258 0.000 0.724 356 G HN 1.003 nan 8.290 nan 0.000 0.514 357 C N -0.434 118.943 119.300 0.128 0.000 2.469 357 C HA 0.828 5.289 4.460 0.001 0.000 0.298 357 C C 1.013 176.226 174.990 0.372 0.000 1.436 357 C CA -0.332 58.693 59.018 0.012 0.000 1.783 357 C CB -1.081 26.307 27.740 -0.587 0.000 2.726 357 C HN 0.408 nan 8.230 nan 0.000 0.541 358 S N 0.251 116.302 115.700 0.584 0.000 2.801 358 S HA 0.782 5.252 4.470 0.001 0.000 0.312 358 S C 0.311 175.071 174.600 0.266 0.000 1.112 358 S CA -0.159 58.278 58.200 0.395 0.000 0.943 358 S CB 1.255 64.513 63.200 0.096 0.000 1.269 358 S HN 0.800 nan 8.310 nan 0.000 0.558 359 V N -0.001 119.973 119.914 0.099 0.000 3.214 359 V HA 0.403 4.523 4.120 0.001 0.000 0.306 359 V C 0.655 176.833 176.094 0.140 0.000 1.078 359 V CA -0.295 62.071 62.300 0.108 0.000 1.077 359 V CB 0.146 32.000 31.823 0.053 0.000 1.121 359 V HN 0.702 nan 8.190 nan 0.000 0.468 360 D N 1.125 121.618 120.400 0.155 0.000 2.123 360 D HA -0.159 4.482 4.640 0.001 0.000 0.196 360 D C 2.399 178.782 176.300 0.138 0.000 0.992 360 D CA 2.148 56.258 54.000 0.182 0.000 0.833 360 D CB -0.329 40.554 40.800 0.137 0.000 0.954 360 D HN 0.918 nan 8.370 nan 0.000 0.455 361 S N -0.026 115.723 115.700 0.081 0.000 2.383 361 S HA -0.142 4.329 4.470 0.001 0.000 0.229 361 S C 2.249 176.874 174.600 0.041 0.000 1.030 361 S CA 1.044 59.282 58.200 0.063 0.000 1.002 361 S CB -0.747 62.482 63.200 0.049 0.000 0.829 361 S HN 0.111 nan 8.310 nan 0.000 0.467 362 V N 2.383 122.278 119.914 -0.032 0.000 2.295 362 V HA -0.165 3.956 4.120 0.001 0.000 0.246 362 V C 2.716 178.719 176.094 -0.153 0.000 1.049 362 V CA 2.004 64.222 62.300 -0.137 0.000 1.024 362 V CB -0.915 30.734 31.823 -0.290 0.000 0.648 362 V HN 0.621 nan 8.190 nan 0.000 0.447 363 H N -0.034 119.114 119.070 0.130 0.000 2.462 363 H HA 0.036 4.593 4.556 0.001 0.000 0.292 363 H C 2.498 177.943 175.328 0.195 0.000 1.049 363 H CA 0.995 57.142 56.048 0.164 0.000 1.334 363 H CB -0.085 29.795 29.762 0.197 0.000 1.404 363 H HN 0.407 nan 8.280 nan 0.000 0.544 364 R N 0.764 121.409 120.500 0.241 0.000 2.081 364 R HA -0.138 4.203 4.340 0.001 0.000 0.235 364 R C 2.273 178.648 176.300 0.125 0.000 1.131 364 R CA 1.289 57.494 56.100 0.175 0.000 0.960 364 R CB -0.112 30.262 30.300 0.123 0.000 0.856 364 R HN 0.427 nan 8.270 nan 0.000 0.436 365 E N 0.804 121.054 120.200 0.082 0.000 2.077 365 E HA -0.192 4.159 4.350 0.001 0.000 0.193 365 E C 2.022 178.621 176.600 -0.000 0.000 0.989 365 E CA 1.169 57.592 56.400 0.037 0.000 0.800 365 E CB 0.039 29.752 29.700 0.023 0.000 0.746 365 E HN 0.245 nan 8.360 nan 0.000 0.452 366 M N -0.267 119.335 119.600 0.003 0.000 2.108 366 M HA -0.199 4.282 4.480 0.001 0.000 0.261 366 M C 2.278 178.551 176.300 -0.046 0.000 1.066 366 M CA 1.187 56.424 55.300 -0.104 0.000 1.107 366 M CB -0.167 32.433 32.600 -0.001 0.000 1.356 366 M HN 0.253 nan 8.290 nan 0.000 0.406 367 M N -0.522 119.203 119.600 0.208 0.000 2.149 367 M HA -0.142 4.338 4.480 0.001 0.000 0.261 367 M C 2.146 178.569 176.300 0.206 0.000 1.064 367 M CA 1.744 57.246 55.300 0.337 0.000 1.102 367 M CB -1.656 31.124 32.600 0.300 0.000 1.369 367 M HN 0.267 nan 8.290 nan 0.000 0.408 368 T N 0.452 115.069 114.554 0.104 0.000 2.708 368 T HA -0.120 4.230 4.350 0.001 0.000 0.266 368 T C 1.965 176.685 174.700 0.032 0.000 1.037 368 T CA 1.215 63.355 62.100 0.067 0.000 1.146 368 T CB -0.164 68.731 68.868 0.044 0.000 0.865 368 T HN 0.394 nan 8.240 nan 0.000 0.435 369 R N 0.101 120.566 120.500 -0.058 0.000 2.091 369 R HA -0.060 4.280 4.340 0.001 0.000 0.238 369 R C 2.239 178.486 176.300 -0.088 0.000 1.136 369 R CA 1.355 57.370 56.100 -0.141 0.000 0.959 369 R CB -0.625 29.505 30.300 -0.285 0.000 0.856 369 R HN 0.337 nan 8.270 nan 0.000 0.437 370 F N 1.641 121.605 119.950 0.023 0.000 2.095 370 F HA -0.167 4.361 4.527 0.001 0.000 0.298 370 F C 2.369 178.210 175.800 0.069 0.000 1.104 370 F CA 1.297 59.320 58.000 0.040 0.000 1.232 370 F CB -0.611 38.425 39.000 0.059 0.000 0.987 370 F HN 0.058 nan 8.300 nan 0.000 0.475 371 E N 0.114 120.472 120.200 0.263 0.000 2.085 371 E HA -0.240 4.111 4.350 0.001 0.000 0.194 371 E C 2.141 178.857 176.600 0.194 0.000 0.994 371 E CA 1.476 57.995 56.400 0.198 0.000 0.801 371 E CB -0.227 29.555 29.700 0.137 0.000 0.743 371 E HN 0.419 nan 8.360 nan 0.000 0.453 372 K N 0.543 121.018 120.400 0.125 0.000 2.026 372 K HA -0.132 4.189 4.320 0.001 0.000 0.208 372 K C 2.212 178.863 176.600 0.086 0.000 1.048 372 K CA 1.226 57.569 56.287 0.094 0.000 0.929 372 K CB -0.181 32.340 32.500 0.036 0.000 0.713 372 K HN 0.050 nan 8.250 nan 0.000 0.439 373 A N 0.641 123.489 122.820 0.047 0.000 1.902 373 A HA -0.212 4.109 4.320 0.001 0.000 0.217 373 A C 2.089 179.698 177.584 0.042 0.000 1.181 373 A CA 1.380 53.414 52.037 -0.005 0.000 0.623 373 A CB -0.811 18.157 19.000 -0.054 0.000 0.818 373 A HN 0.430 nan 8.150 nan 0.000 0.443 374 Y N 0.756 121.076 120.300 0.033 0.000 2.128 374 Y HA -0.209 4.342 4.550 0.001 0.000 0.284 374 Y C 2.367 178.319 175.900 0.087 0.000 1.154 374 Y CA 2.246 60.373 58.100 0.045 0.000 1.149 374 Y CB -0.053 38.436 38.460 0.049 0.000 0.976 374 Y HN 0.309 nan 8.280 nan 0.000 0.505 375 E N -0.326 119.973 120.200 0.165 0.000 2.110 375 E HA -0.151 4.200 4.350 0.001 0.000 0.193 375 E C 2.465 179.109 176.600 0.074 0.000 0.988 375 E CA 1.275 57.754 56.400 0.132 0.000 0.804 375 E CB -0.649 29.164 29.700 0.189 0.000 0.745 375 E HN 0.427 nan 8.360 nan 0.000 0.458 376 V N 0.951 120.906 119.914 0.069 0.000 2.261 376 V HA -0.221 3.900 4.120 0.001 0.000 0.246 376 V C 2.428 178.540 176.094 0.030 0.000 1.047 376 V CA 2.124 64.475 62.300 0.085 0.000 1.015 376 V CB -1.166 30.741 31.823 0.140 0.000 0.642 376 V HN 0.342 nan 8.190 nan 0.000 0.446 377 G N -1.399 107.353 108.800 -0.079 0.000 2.440 377 G HA2 -0.327 3.633 3.960 0.001 0.000 0.218 377 G HA3 -0.327 3.633 3.960 0.001 0.000 0.218 377 G C 1.579 176.377 174.900 -0.170 0.000 1.154 377 G CA 1.166 46.177 45.100 -0.148 0.000 0.767 377 G HN 0.624 nan 8.290 nan 0.000 0.552 378 H N -1.083 117.754 119.070 -0.388 0.000 2.353 378 H HA -0.153 4.404 4.556 0.001 0.000 0.300 378 H C 2.235 177.474 175.328 -0.148 0.000 1.090 378 H CA 1.573 57.411 56.048 -0.351 0.000 1.327 378 H CB -0.088 29.374 29.762 -0.500 0.000 1.383 378 H HN 0.395 nan 8.280 nan 0.000 0.508 379 Y N 1.521 121.701 120.300 -0.201 0.000 2.114 379 Y HA -0.255 4.296 4.550 0.001 0.000 0.282 379 Y C 2.509 178.287 175.900 -0.204 0.000 1.165 379 Y CA 1.790 59.775 58.100 -0.192 0.000 1.148 379 Y CB -0.633 37.770 38.460 -0.094 0.000 0.972 379 Y HN 0.126 nan 8.280 nan 0.000 0.504 380 L N -0.423 120.672 121.223 -0.213 0.000 2.093 380 L HA -0.164 4.176 4.340 0.001 0.000 0.208 380 L C 2.775 179.440 176.870 -0.341 0.000 1.085 380 L CA 1.000 55.665 54.840 -0.291 0.000 0.755 380 L CB -0.950 41.031 42.059 -0.129 0.000 0.904 380 L HN 0.350 nan 8.230 nan 0.000 0.435 381 A N 0.052 122.691 122.820 -0.302 0.000 1.898 381 A HA -0.180 4.141 4.320 0.001 0.000 0.216 381 A C 2.355 179.731 177.584 -0.346 0.000 1.181 381 A CA 1.383 53.250 52.037 -0.285 0.000 0.620 381 A CB -0.278 18.594 19.000 -0.214 0.000 0.819 381 A HN 0.259 nan 8.150 nan 0.000 0.442 382 K N -0.426 119.718 120.400 -0.427 0.000 2.026 382 K HA -0.146 4.175 4.320 0.001 0.000 0.208 382 K C 1.986 178.361 176.600 -0.375 0.000 1.048 382 K CA 1.404 57.451 56.287 -0.401 0.000 0.929 382 K CB -0.165 32.058 32.500 -0.462 0.000 0.713 382 K HN 0.410 nan 8.250 nan 0.000 0.439 383 E N 0.557 120.463 120.200 -0.490 0.000 2.058 383 E HA -0.188 4.163 4.350 0.001 0.000 0.194 383 E C 2.039 178.461 176.600 -0.297 0.000 0.997 383 E CA 1.310 57.455 56.400 -0.425 0.000 0.801 383 E CB -0.268 29.092 29.700 -0.566 0.000 0.746 383 E HN 0.309 nan 8.360 nan 0.000 0.450 384 A N 1.522 124.162 122.820 -0.300 0.000 1.902 384 A HA -0.082 4.239 4.320 0.001 0.000 0.217 384 A C 2.446 179.864 177.584 -0.276 0.000 1.181 384 A CA 2.171 54.060 52.037 -0.247 0.000 0.623 384 A CB -0.636 18.223 19.000 -0.237 0.000 0.818 384 A HN 0.273 nan 8.150 nan 0.000 0.443 385 A N -0.512 122.096 122.820 -0.353 0.000 1.933 385 A HA -0.152 4.169 4.320 0.001 0.000 0.218 385 A C 2.113 179.611 177.584 -0.143 0.000 1.175 385 A CA 1.793 53.586 52.037 -0.407 0.000 0.628 385 A CB -0.337 18.415 19.000 -0.412 0.000 0.814 385 A HN 0.357 nan 8.150 nan 0.000 0.444 386 K N -0.306 120.007 120.400 -0.145 0.000 2.097 386 K HA -0.115 4.206 4.320 0.001 0.000 0.205 386 K C 2.164 178.704 176.600 -0.100 0.000 1.050 386 K CA 1.540 57.770 56.287 -0.096 0.000 0.938 386 K CB -0.363 32.065 32.500 -0.120 0.000 0.718 386 K HN 0.697 nan 8.250 nan 0.000 0.442 387 Q N 0.364 120.088 119.800 -0.128 0.000 2.084 387 Q HA -0.064 4.277 4.340 0.001 0.000 0.202 387 Q C 2.217 178.152 176.000 -0.110 0.000 0.978 387 Q CA 1.232 56.966 55.803 -0.115 0.000 0.844 387 Q CB -0.148 28.523 28.738 -0.112 0.000 0.898 387 Q HN 0.270 nan 8.270 nan 0.000 0.426 388 I N 0.471 120.969 120.570 -0.120 0.000 2.142 388 I HA -0.275 3.896 4.170 0.001 0.000 0.240 388 I C 2.432 178.447 176.117 -0.170 0.000 1.078 388 I CA 0.996 62.196 61.300 -0.167 0.000 1.343 388 I CB -0.472 37.414 38.000 -0.190 0.000 1.046 388 I HN 0.175 nan 8.210 nan 0.000 0.405 389 A N 0.482 123.263 122.820 -0.065 0.000 1.908 389 A HA -0.246 4.075 4.320 0.001 0.000 0.218 389 A C 1.899 179.499 177.584 0.027 0.000 1.181 389 A CA 2.127 54.143 52.037 -0.034 0.000 0.627 389 A CB -0.622 18.401 19.000 0.039 0.000 0.818 389 A HN 0.364 nan 8.150 nan 0.000 0.445 390 D N -0.216 120.155 120.400 -0.048 0.000 2.264 390 D HA 0.043 4.683 4.640 0.001 0.000 0.208 390 D C 1.790 177.929 176.300 -0.268 0.000 0.966 390 D CA 1.233 55.118 54.000 -0.191 0.000 0.864 390 D CB -0.162 40.517 40.800 -0.201 0.000 0.933 390 D HN 0.462 nan 8.370 nan 0.000 0.499 391 A N -0.042 122.708 122.820 -0.116 0.000 2.275 391 A HA 0.165 4.485 4.320 0.001 0.000 0.212 391 A C 1.067 178.661 177.584 0.016 0.000 1.201 391 A CA -0.241 51.753 52.037 -0.072 0.000 0.843 391 A CB 0.000 18.960 19.000 -0.067 0.000 0.873 391 A HN 0.092 nan 8.150 nan 0.000 0.492 392 I N 1.024 121.636 120.570 0.070 0.000 2.474 392 I HA 0.048 4.219 4.170 0.001 0.000 0.287 392 I C -0.185 176.049 176.117 0.195 0.000 1.048 392 I CA -0.447 60.917 61.300 0.107 0.000 1.383 392 I CB 0.917 38.937 38.000 0.034 0.000 1.412 392 I HN 0.076 nan 8.210 nan 0.000 0.531 393 D N 5.052 125.538 120.400 0.143 0.000 2.348 393 D HA 0.002 4.642 4.640 0.001 0.000 0.259 393 D C 0.822 177.173 176.300 0.084 0.000 1.296 393 D CA -0.067 54.004 54.000 0.118 0.000 0.931 393 D CB 0.635 41.484 40.800 0.081 0.000 1.067 393 D HN 0.598 nan 8.370 nan 0.000 0.503 394 T N 0.746 115.308 114.554 0.013 0.000 3.214 394 T HA 0.197 4.548 4.350 0.001 0.000 0.264 394 T C 1.440 176.197 174.700 0.095 0.000 1.012 394 T CA -0.413 61.726 62.100 0.066 0.000 0.901 394 T CB -0.014 68.761 68.868 -0.156 0.000 1.070 394 T HN 0.252 nan 8.240 nan 0.000 0.561 395 R N 1.253 121.766 120.500 0.022 0.000 2.237 395 R HA 0.010 4.351 4.340 0.001 0.000 0.219 395 R C 1.273 177.553 176.300 -0.033 0.000 1.080 395 R CA 1.000 57.104 56.100 0.006 0.000 0.995 395 R CB -0.137 30.164 30.300 0.002 0.000 0.875 395 R HN 0.404 nan 8.270 nan 0.000 0.462 396 D N 0.010 120.330 120.400 -0.133 0.000 2.310 396 D HA -0.093 4.548 4.640 0.001 0.000 0.212 396 D C -0.120 175.951 176.300 -0.381 0.000 0.965 396 D CA 0.963 54.784 54.000 -0.298 0.000 0.879 396 D CB 0.053 40.570 40.800 -0.472 0.000 0.921 396 D HN 0.045 nan 8.370 nan 0.000 0.510 397 F N 1.653 121.586 119.950 -0.028 0.000 2.394 397 F HA 0.275 4.803 4.527 0.001 0.000 0.340 397 F C -1.592 174.207 175.800 -0.002 0.000 1.105 397 F CA -2.594 55.399 58.000 -0.012 0.000 1.124 397 F CB 0.673 39.660 39.000 -0.020 0.000 1.145 397 F HN -0.241 nan 8.300 nan 0.000 0.505 398 P HA 0.032 nan 4.420 nan 0.000 0.272 398 P C 0.470 177.842 177.300 0.120 0.000 1.223 398 P CA -0.285 62.888 63.100 0.122 0.000 0.784 398 P CB 0.764 32.533 31.700 0.114 0.000 0.923 399 M N 1.332 120.977 119.600 0.075 0.000 2.460 399 M HA -0.100 4.381 4.480 0.001 0.000 0.263 399 M C 0.803 177.129 176.300 0.043 0.000 1.071 399 M CA 1.507 56.834 55.300 0.046 0.000 1.096 399 M CB -1.486 31.128 32.600 0.023 0.000 1.408 399 M HN 0.414 nan 8.290 nan 0.000 0.463 400 D N -0.584 119.869 120.400 0.087 0.000 2.325 400 D HA 0.039 4.679 4.640 0.001 0.000 0.234 400 D C 0.365 176.809 176.300 0.240 0.000 1.122 400 D CA -0.090 53.986 54.000 0.127 0.000 0.850 400 D CB -0.246 40.650 40.800 0.159 0.000 0.921 400 D HN 0.202 nan 8.370 nan 0.000 0.513 401 S N -1.033 114.787 115.700 0.201 0.000 2.648 401 S HA 0.505 4.976 4.470 0.001 0.000 0.305 401 S C -0.365 174.334 174.600 0.166 0.000 1.094 401 S CA -0.989 57.383 58.200 0.287 0.000 0.983 401 S CB 2.062 65.422 63.200 0.267 0.000 1.101 401 S HN -0.047 nan 8.310 nan 0.000 0.514 402 Q N 1.410 121.349 119.800 0.232 0.000 2.425 402 Q HA 0.427 4.768 4.340 0.001 0.000 0.254 402 Q C -2.727 173.307 176.000 0.058 0.000 1.032 402 Q CA -2.011 53.859 55.803 0.111 0.000 0.798 402 Q CB 1.312 30.156 28.738 0.177 0.000 1.210 402 Q HN 0.477 nan 8.270 nan 0.000 0.491 403 P HA 0.134 nan 4.420 nan 0.000 0.271 403 P C -0.843 176.431 177.300 -0.043 0.000 1.218 403 P CA 0.105 62.989 63.100 -0.360 0.000 0.780 403 P CB 0.302 31.711 31.700 -0.485 0.000 0.901 404 F N -0.287 119.500 119.950 -0.272 0.000 2.601 404 F HA 0.714 5.241 4.527 0.001 0.000 0.309 404 F C -1.583 174.131 175.800 -0.143 0.000 1.089 404 F CA -1.458 56.454 58.000 -0.147 0.000 0.940 404 F CB 0.978 39.929 39.000 -0.083 0.000 1.273 404 F HN -0.056 nan 8.300 nan 0.000 0.450 405 V N 3.442 123.323 119.914 -0.054 0.000 2.513 405 V HA 0.541 4.662 4.120 0.001 0.000 0.299 405 V C -0.485 175.521 176.094 -0.145 0.000 1.035 405 V CA -0.676 61.484 62.300 -0.232 0.000 0.889 405 V CB 1.561 33.163 31.823 -0.367 0.000 0.988 405 V HN 0.682 nan 8.190 nan 0.000 0.440 406 L N 5.058 126.160 121.223 -0.202 0.000 2.322 406 L HA 0.622 4.962 4.340 0.001 0.000 0.281 406 L C -0.799 175.983 176.870 -0.147 0.000 1.014 406 L CA 0.108 54.931 54.840 -0.029 0.000 0.815 406 L CB 1.266 43.367 42.059 0.069 0.000 1.247 406 L HN 0.424 nan 8.230 nan 0.000 0.421 407 F N 1.314 121.354 119.950 0.150 0.000 2.482 407 F HA 0.408 4.936 4.527 0.001 0.000 0.331 407 F C 0.281 176.143 175.800 0.104 0.000 1.115 407 F CA -0.707 57.389 58.000 0.160 0.000 0.955 407 F CB 1.580 40.660 39.000 0.133 0.000 1.136 407 F HN 0.408 nan 8.300 nan 0.000 0.452 408 N N 1.065 119.912 118.700 0.244 0.000 2.485 408 N HA 0.163 4.904 4.740 0.001 0.000 0.243 408 N C 0.296 175.862 175.510 0.094 0.000 0.987 408 N CA -0.387 52.745 53.050 0.137 0.000 0.940 408 N CB 1.017 39.541 38.487 0.061 0.000 1.122 408 N HN 0.655 nan 8.380 nan 0.000 0.509 409 T N -0.758 113.844 114.554 0.079 0.000 3.163 409 T HA 0.269 4.620 4.350 0.001 0.000 0.252 409 T C 0.365 175.037 174.700 -0.046 0.000 1.056 409 T CA -0.298 61.801 62.100 -0.000 0.000 0.947 409 T CB -0.197 68.683 68.868 0.020 0.000 1.016 409 T HN 0.206 nan 8.240 nan 0.000 0.554 410 S N 0.305 115.987 115.700 -0.029 0.000 2.713 410 S HA 0.613 5.084 4.470 0.001 0.000 0.283 410 S C 1.527 176.048 174.600 -0.131 0.000 1.161 410 S CA -0.456 57.729 58.200 -0.024 0.000 0.999 410 S CB 1.235 64.466 63.200 0.052 0.000 1.039 410 S HN 0.447 nan 8.310 nan 0.000 0.548 411 G N -0.607 108.115 108.800 -0.130 0.000 2.880 411 G HA2 0.159 4.120 3.960 0.001 0.000 0.209 411 G HA3 0.159 4.120 3.960 0.001 0.000 0.209 411 G C -0.007 174.487 174.900 -0.678 0.000 1.157 411 G CA 0.438 45.344 45.100 -0.323 0.000 0.779 411 G HN 0.635 nan 8.290 nan 0.000 0.539 412 H N -1.449 117.331 119.070 -0.484 0.000 2.864 412 H HA 0.579 5.136 4.556 0.001 0.000 0.354 412 H C -0.144 174.886 175.328 -0.496 0.000 1.208 412 H CA -0.699 54.890 56.048 -0.765 0.000 1.191 412 H CB 1.167 29.801 29.762 -1.878 0.000 1.889 412 H HN 0.008 nan 8.280 nan 0.000 0.574 413 S N 0.587 116.120 115.700 -0.278 0.000 2.558 413 S HA 0.004 4.475 4.470 0.001 0.000 0.291 413 S C -0.071 174.554 174.600 0.042 0.000 1.306 413 S CA 0.013 58.164 58.200 -0.081 0.000 1.056 413 S CB -0.073 63.128 63.200 0.003 0.000 0.836 413 S HN 0.515 nan 8.310 nan 0.000 0.504 414 K N 3.366 123.806 120.400 0.067 0.000 2.483 414 K HA 0.321 4.642 4.320 0.001 0.000 0.256 414 K C -1.145 175.521 176.600 0.109 0.000 0.961 414 K CA -0.394 55.967 56.287 0.124 0.000 0.873 414 K CB 0.929 33.490 32.500 0.101 0.000 1.107 414 K HN 0.537 nan 8.250 nan 0.000 0.432 415 T N 2.594 117.224 114.554 0.126 0.000 2.743 415 T HA 0.362 4.713 4.350 0.001 0.000 0.292 415 T C -0.854 173.896 174.700 0.083 0.000 0.972 415 T CA -0.429 61.729 62.100 0.097 0.000 0.967 415 T CB 0.988 69.916 68.868 0.099 0.000 0.926 415 T HN 0.730 nan 8.240 nan 0.000 0.459 416 S N 1.529 117.275 115.700 0.076 0.000 2.625 416 S HA 0.627 5.098 4.470 0.001 0.000 0.271 416 S C -1.133 173.504 174.600 0.061 0.000 1.161 416 S CA -0.903 57.336 58.200 0.065 0.000 0.820 416 S CB 1.160 64.401 63.200 0.069 0.000 1.137 416 S HN 0.312 nan 8.310 nan 0.000 0.470 417 V N 1.910 121.855 119.914 0.051 0.000 2.288 417 V HA 0.674 4.794 4.120 0.001 0.000 0.266 417 V C 0.776 176.898 176.094 0.047 0.000 1.048 417 V CA -0.258 62.071 62.300 0.048 0.000 0.842 417 V CB 0.067 31.913 31.823 0.037 0.000 1.064 417 V HN 1.135 nan 8.190 nan 0.000 0.472 418 A N 4.658 127.514 122.820 0.059 0.000 2.488 418 A HA 0.402 4.723 4.320 0.001 0.000 0.249 418 A C 0.375 177.982 177.584 0.038 0.000 1.083 418 A CA -0.157 51.916 52.037 0.061 0.000 0.768 418 A CB 0.114 19.167 19.000 0.088 0.000 1.017 418 A HN 0.695 nan 8.150 nan 0.000 0.496 419 E N 2.705 122.921 120.200 0.027 0.000 2.055 419 E HA 0.427 4.778 4.350 0.001 0.000 0.274 419 E C -0.820 175.777 176.600 -0.006 0.000 0.949 419 E CA 0.080 56.484 56.400 0.007 0.000 0.775 419 E CB 0.956 30.658 29.700 0.003 0.000 1.097 419 E HN 0.574 nan 8.360 nan 0.000 0.404 420 L N 1.104 122.307 121.223 -0.033 0.000 2.330 420 L HA 0.504 4.845 4.340 0.001 0.000 0.271 420 L C 0.331 177.146 176.870 -0.092 0.000 1.013 420 L CA -0.872 53.925 54.840 -0.072 0.000 0.816 420 L CB 1.908 43.885 42.059 -0.137 0.000 1.287 420 L HN 0.235 nan 8.230 nan 0.000 0.435 421 S N 2.574 118.215 115.700 -0.098 0.000 2.745 421 S HA 0.610 5.081 4.470 0.001 0.000 0.283 421 S C -0.877 173.649 174.600 -0.124 0.000 1.170 421 S CA -0.552 57.589 58.200 -0.098 0.000 1.119 421 S CB 0.281 63.451 63.200 -0.050 0.000 1.035 421 S HN 0.448 nan 8.310 nan 0.000 0.483 422 L N 3.245 124.361 121.223 -0.178 0.000 2.334 422 L HA 0.543 4.884 4.340 0.001 0.000 0.275 422 L C 0.332 177.146 176.870 -0.093 0.000 1.036 422 L CA -0.806 53.923 54.840 -0.186 0.000 0.807 422 L CB 1.855 43.721 42.059 -0.321 0.000 1.231 422 L HN 0.430 nan 8.230 nan 0.000 0.438 423 T N 1.382 115.911 114.554 -0.043 0.000 2.727 423 T HA 0.024 4.374 4.350 0.001 0.000 0.298 423 T C 0.532 175.269 174.700 0.063 0.000 0.942 423 T CA -0.154 61.954 62.100 0.014 0.000 0.997 423 T CB 0.635 69.506 68.868 0.005 0.000 0.917 423 T HN 0.654 nan 8.240 nan 0.000 0.487 424 W N 4.465 125.703 121.300 -0.104 0.000 2.441 424 W HA 0.187 4.848 4.660 0.001 0.000 0.302 424 W C 0.519 177.007 176.519 -0.053 0.000 1.191 424 W CA 0.263 57.575 57.345 -0.055 0.000 1.327 424 W CB 0.293 29.744 29.460 -0.015 0.000 1.128 424 W HN 0.398 nan 8.180 nan 0.000 0.522 425 K N 0.869 121.119 120.400 -0.251 0.000 2.532 425 K HA 0.269 4.590 4.320 0.001 0.000 0.265 425 K C -1.497 174.911 176.600 -0.320 0.000 0.948 425 K CA -0.610 55.381 56.287 -0.494 0.000 0.842 425 K CB 2.158 34.263 32.500 -0.658 0.000 1.392 425 K HN -0.319 nan 8.250 nan 0.000 0.436 426 K N 2.568 122.672 120.400 -0.493 0.000 2.345 426 K HA 0.305 4.626 4.320 0.001 0.000 0.255 426 K C -1.498 174.776 176.600 -0.544 0.000 0.934 426 K CA -0.688 55.295 56.287 -0.506 0.000 0.801 426 K CB 1.519 33.434 32.500 -0.975 0.000 1.137 426 K HN 0.396 nan 8.250 nan 0.000 0.424 427 Y N 1.962 122.196 120.300 -0.110 0.000 2.587 427 Y HA 0.190 4.741 4.550 0.001 0.000 0.328 427 Y C -0.009 175.968 175.900 0.127 0.000 0.980 427 Y CA -0.793 57.334 58.100 0.044 0.000 1.272 427 Y CB 0.458 39.021 38.460 0.171 0.000 1.094 427 Y HN 0.562 nan 8.280 nan 0.000 0.503 428 H N 1.801 121.036 119.070 0.275 0.000 2.790 428 H HA 0.019 4.576 4.556 0.001 0.000 0.358 428 H C 0.442 176.040 175.328 0.449 0.000 1.103 428 H CA 0.106 56.336 56.048 0.303 0.000 1.426 428 H CB 0.697 30.539 29.762 0.134 0.000 1.424 428 H HN 0.558 nan 8.280 nan 0.000 0.599 429 F N 1.434 121.533 119.950 0.249 0.000 2.102 429 F HA -0.111 4.417 4.527 0.001 0.000 0.298 429 F C 2.211 178.111 175.800 0.166 0.000 1.105 429 F CA 1.501 59.614 58.000 0.190 0.000 1.239 429 F CB -1.044 38.042 39.000 0.143 0.000 0.991 429 F HN 0.897 nan 8.300 nan 0.000 0.474 430 G N -0.503 108.515 108.800 0.364 0.000 2.611 430 G HA2 -0.360 3.600 3.960 0.001 0.000 0.301 430 G HA3 -0.360 3.600 3.960 0.001 0.000 0.301 430 G C 0.786 175.782 174.900 0.161 0.000 1.233 430 G CA 1.466 46.691 45.100 0.208 0.000 0.993 430 G HN 0.756 nan 8.290 nan 0.000 0.553 431 Q N -0.104 119.744 119.800 0.081 0.000 2.188 431 Q HA 0.561 4.902 4.340 0.001 0.000 0.212 431 Q C 1.161 177.110 176.000 -0.085 0.000 0.846 431 Q CA 1.217 57.025 55.803 0.009 0.000 0.989 431 Q CB 0.039 28.769 28.738 -0.014 0.000 1.114 431 Q HN 0.888 nan 8.270 nan 0.000 0.488 432 R N -0.858 119.619 120.500 -0.038 0.000 2.549 432 R HA 0.668 5.008 4.340 0.001 0.000 0.267 432 R C -0.795 175.422 176.300 -0.139 0.000 1.045 432 R CA -0.874 55.155 56.100 -0.117 0.000 1.115 432 R CB 0.641 30.952 30.300 0.019 0.000 1.121 432 R HN 0.320 nan 8.270 nan 0.000 0.543 433 F N 2.005 121.966 119.950 0.018 0.000 2.504 433 F HA 0.153 4.681 4.527 0.001 0.000 0.369 433 F C -1.234 174.526 175.800 -0.067 0.000 1.082 433 F CA -1.987 56.001 58.000 -0.019 0.000 1.216 433 F CB 0.348 39.345 39.000 -0.005 0.000 1.108 433 F HN 0.365 nan 8.300 nan 0.000 0.554 434 P HA -0.277 nan 4.420 nan 0.000 0.216 434 P C 1.749 179.142 177.300 0.155 0.000 1.154 434 P CA 1.897 64.884 63.100 -0.188 0.000 0.865 434 P CB 0.090 31.581 31.700 -0.348 0.000 0.789 435 K N 0.380 120.841 120.400 0.103 0.000 2.089 435 K HA -0.253 4.067 4.320 0.001 0.000 0.210 435 K C 1.813 178.476 176.600 0.106 0.000 1.048 435 K CA 1.934 58.256 56.287 0.059 0.000 0.926 435 K CB -0.326 32.172 32.500 -0.002 0.000 0.714 435 K HN 0.148 nan 8.250 nan 0.000 0.448 436 E N 0.008 120.294 120.200 0.142 0.000 2.072 436 E HA -0.129 4.222 4.350 0.001 0.000 0.191 436 E C 2.011 178.681 176.600 0.117 0.000 0.985 436 E CA 1.290 57.767 56.400 0.129 0.000 0.801 436 E CB 0.109 29.904 29.700 0.159 0.000 0.750 436 E HN 0.121 nan 8.360 nan 0.000 0.452 437 V N 0.612 120.626 119.914 0.166 0.000 2.358 437 V HA -0.263 3.857 4.120 0.001 0.000 0.246 437 V C 1.974 178.152 176.094 0.139 0.000 1.047 437 V CA 1.680 64.112 62.300 0.221 0.000 1.035 437 V CB -0.585 31.451 31.823 0.356 0.000 0.658 437 V HN 0.289 nan 8.190 nan 0.000 0.452 438 Y N 0.938 121.190 120.300 -0.079 0.000 2.128 438 Y HA -0.301 4.250 4.550 0.001 0.000 0.284 438 Y C 2.773 178.511 175.900 -0.271 0.000 1.154 438 Y CA 2.142 59.961 58.100 -0.468 0.000 1.149 438 Y CB -0.218 37.838 38.460 -0.674 0.000 0.976 438 Y HN 0.261 nan 8.280 nan 0.000 0.505 439 Q N -0.313 119.478 119.800 -0.014 0.000 2.096 439 Q HA -0.274 4.066 4.340 0.001 0.000 0.204 439 Q C 2.276 178.204 176.000 -0.120 0.000 0.982 439 Q CA 1.862 57.640 55.803 -0.042 0.000 0.850 439 Q CB -0.242 28.509 28.738 0.020 0.000 0.901 439 Q HN 0.615 nan 8.270 nan 0.000 0.422 440 E N 0.111 120.230 120.200 -0.136 0.000 2.077 440 E HA -0.214 4.137 4.350 0.001 0.000 0.193 440 E C 1.868 178.224 176.600 -0.407 0.000 0.989 440 E CA 0.988 57.277 56.400 -0.185 0.000 0.800 440 E CB -0.030 29.599 29.700 -0.119 0.000 0.746 440 E HN 0.350 nan 8.360 nan 0.000 0.452 441 A N 0.750 123.162 122.820 -0.680 0.000 1.898 441 A HA -0.230 4.091 4.320 0.001 0.000 0.216 441 A C 2.055 179.471 177.584 -0.280 0.000 1.181 441 A CA 1.491 53.096 52.037 -0.720 0.000 0.620 441 A CB -0.497 18.118 19.000 -0.641 0.000 0.819 441 A HN 0.307 nan 8.150 nan 0.000 0.442 442 Q N -0.482 119.125 119.800 -0.321 0.000 2.061 442 Q HA -0.239 4.102 4.340 0.001 0.000 0.204 442 Q C 2.000 177.963 176.000 -0.062 0.000 0.984 442 Q CA 1.874 57.565 55.803 -0.186 0.000 0.846 442 Q CB -0.237 28.395 28.738 -0.176 0.000 0.902 442 Q HN 0.777 nan 8.270 nan 0.000 0.421 443 E N -0.298 119.872 120.200 -0.050 0.000 2.110 443 E HA -0.214 4.137 4.350 0.001 0.000 0.193 443 E C 1.675 178.303 176.600 0.046 0.000 0.988 443 E CA 0.923 57.324 56.400 0.001 0.000 0.804 443 E CB -0.148 29.558 29.700 0.010 0.000 0.745 443 E HN 0.357 nan 8.360 nan 0.000 0.458 444 Y N 1.285 121.572 120.300 -0.022 0.000 2.145 444 Y HA -0.230 4.321 4.550 0.001 0.000 0.286 444 Y C 1.945 177.895 175.900 0.083 0.000 1.145 444 Y CA 1.493 59.636 58.100 0.072 0.000 1.148 444 Y CB -0.153 38.407 38.460 0.167 0.000 0.981 444 Y HN -0.041 nan 8.280 nan 0.000 0.507 445 L N -0.473 120.838 121.223 0.147 0.000 2.083 445 L HA -0.221 4.120 4.340 0.001 0.000 0.209 445 L C 2.739 179.590 176.870 -0.031 0.000 1.083 445 L CA 1.098 55.981 54.840 0.071 0.000 0.752 445 L CB -0.883 41.246 42.059 0.117 0.000 0.899 445 L HN 0.386 nan 8.230 nan 0.000 0.433 446 A N 0.417 123.220 122.820 -0.030 0.000 1.933 446 A HA -0.217 4.103 4.320 0.001 0.000 0.218 446 A C 2.552 180.096 177.584 -0.067 0.000 1.175 446 A CA 2.006 54.020 52.037 -0.037 0.000 0.628 446 A CB -0.705 18.281 19.000 -0.023 0.000 0.814 446 A HN 0.428 nan 8.150 nan 0.000 0.444 447 R N -0.512 119.925 120.500 -0.104 0.000 2.310 447 R HA 0.491 4.832 4.340 0.001 0.000 0.202 447 R C 0.799 176.992 176.300 -0.179 0.000 0.933 447 R CA 0.312 56.340 56.100 -0.120 0.000 1.054 447 R CB -1.068 29.171 30.300 -0.102 0.000 0.985 447 R HN 0.518 nan 8.270 nan 0.000 0.489 448 L N 2.143 123.229 121.223 -0.228 0.000 2.410 448 L HA 0.078 4.419 4.340 0.001 0.000 0.273 448 L C 1.066 177.833 176.870 -0.173 0.000 1.144 448 L CA 0.553 55.237 54.840 -0.261 0.000 0.863 448 L CB 1.543 43.450 42.059 -0.252 0.000 1.140 448 L HN 0.527 nan 8.230 nan 0.000 0.463 449 S N 1.990 117.590 115.700 -0.167 0.000 2.539 449 S HA 0.119 4.589 4.470 0.001 0.000 0.226 449 S C 0.613 175.126 174.600 -0.144 0.000 1.054 449 S CA -0.499 57.626 58.200 -0.126 0.000 0.910 449 S CB 0.362 63.508 63.200 -0.091 0.000 0.818 449 S HN 0.689 nan 8.310 nan 0.000 0.490 450 Q N 1.643 121.325 119.800 -0.197 0.000 2.318 450 Q HA 0.569 4.910 4.340 0.001 0.000 0.222 450 Q C -0.712 175.092 176.000 -0.326 0.000 1.003 450 Q CA -0.367 55.300 55.803 -0.227 0.000 0.936 450 Q CB 1.109 29.707 28.738 -0.233 0.000 1.204 450 Q HN 0.349 nan 8.270 nan 0.000 0.524 451 S N 0.354 115.883 115.700 -0.285 0.000 2.549 451 S HA 0.476 4.947 4.470 0.001 0.000 0.297 451 S C -0.805 173.578 174.600 -0.362 0.000 1.115 451 S CA -0.719 57.320 58.200 -0.268 0.000 1.059 451 S CB 0.518 63.653 63.200 -0.109 0.000 1.046 451 S HN 0.286 nan 8.310 nan 0.000 0.506 452 F N 1.948 121.801 119.950 -0.162 0.000 2.429 452 F HA 0.349 4.877 4.527 0.001 0.000 0.348 452 F C 1.088 176.826 175.800 -0.103 0.000 1.109 452 F CA 0.099 57.981 58.000 -0.197 0.000 1.232 452 F CB 0.547 39.406 39.000 -0.236 0.000 1.157 452 F HN 0.446 nan 8.300 nan 0.000 0.564 453 Q N 2.974 122.843 119.800 0.114 0.000 2.456 453 Q HA 0.578 4.919 4.340 0.001 0.000 0.283 453 Q C -1.481 174.603 176.000 0.140 0.000 1.084 453 Q CA -1.099 54.762 55.803 0.097 0.000 0.801 453 Q CB 3.074 31.848 28.738 0.060 0.000 1.434 453 Q HN 0.318 nan 8.270 nan 0.000 0.419 454 I N 2.883 123.541 120.570 0.146 0.000 2.378 454 I HA 0.489 4.659 4.170 0.001 0.000 0.291 454 I C -0.053 176.163 176.117 0.165 0.000 0.992 454 I CA -0.593 60.828 61.300 0.201 0.000 1.154 454 I CB 0.945 39.083 38.000 0.229 0.000 1.315 454 I HN 0.622 nan 8.210 nan 0.000 0.448 455 I N 2.559 123.241 120.570 0.187 0.000 2.846 455 I HA 0.703 4.874 4.170 0.001 0.000 0.307 455 I C -0.528 175.729 176.117 0.233 0.000 1.053 455 I CA -0.838 60.570 61.300 0.181 0.000 1.050 455 I CB 2.199 40.318 38.000 0.198 0.000 1.239 455 I HN 0.452 nan 8.210 nan 0.000 0.439 456 D N 0.741 121.244 120.400 0.173 0.000 2.567 456 D HA 0.234 4.875 4.640 0.001 0.000 0.275 456 D C 1.118 177.409 176.300 -0.015 0.000 1.195 456 D CA 0.084 54.182 54.000 0.164 0.000 1.087 456 D CB 0.152 40.986 40.800 0.057 0.000 1.165 456 D HN 0.752 nan 8.370 nan 0.000 0.609 457 T N -3.075 111.346 114.554 -0.223 0.000 2.962 457 T HA -0.121 4.230 4.350 0.001 0.000 0.270 457 T C 1.608 176.106 174.700 -0.336 0.000 1.088 457 T CA 1.281 63.039 62.100 -0.569 0.000 1.127 457 T CB -0.716 67.913 68.868 -0.397 0.000 0.883 457 T HN 0.430 nan 8.240 nan 0.000 0.493 458 S N 0.358 115.958 115.700 -0.167 0.000 2.593 458 S HA 0.451 4.922 4.470 0.001 0.000 0.217 458 S C 1.909 176.467 174.600 -0.070 0.000 0.966 458 S CA 0.261 58.398 58.200 -0.105 0.000 0.914 458 S CB -0.580 62.582 63.200 -0.062 0.000 0.776 458 S HN 1.127 nan 8.310 nan 0.000 0.523 459 G N 0.835 109.599 108.800 -0.061 0.000 2.179 459 G HA2 -0.331 3.630 3.960 0.001 0.000 0.260 459 G HA3 -0.331 3.630 3.960 0.001 0.000 0.260 459 G C -0.092 174.824 174.900 0.028 0.000 0.977 459 G CA 0.254 45.354 45.100 0.000 0.000 0.641 459 G HN 0.764 nan 8.290 nan 0.000 0.533 460 Q N 0.757 120.568 119.800 0.019 0.000 2.297 460 Q HA 0.474 4.815 4.340 0.001 0.000 0.267 460 Q C 0.629 176.659 176.000 0.050 0.000 1.006 460 Q CA -0.399 55.421 55.803 0.027 0.000 0.896 460 Q CB 0.807 29.555 28.738 0.016 0.000 1.186 460 Q HN 0.270 nan 8.270 nan 0.000 0.392 461 V N 5.212 125.156 119.914 0.049 0.000 2.715 461 V HA 0.105 4.226 4.120 0.001 0.000 0.299 461 V C 0.408 176.535 176.094 0.055 0.000 1.054 461 V CA 0.129 62.465 62.300 0.059 0.000 1.077 461 V CB 0.928 32.780 31.823 0.048 0.000 0.972 461 V HN 0.784 nan 8.190 nan 0.000 0.484 462 R N 6.090 126.631 120.500 0.067 0.000 2.230 462 R HA 0.247 4.588 4.340 0.001 0.000 0.337 462 R C -1.602 174.732 176.300 0.056 0.000 1.063 462 R CA -1.479 54.658 56.100 0.062 0.000 0.935 462 R CB 1.069 31.416 30.300 0.078 0.000 1.121 462 R HN 0.582 nan 8.270 nan 0.000 0.486 463 P HA -0.103 nan 4.420 nan 0.000 0.225 463 P C 0.010 177.332 177.300 0.037 0.000 1.156 463 P CA 1.001 64.123 63.100 0.036 0.000 0.787 463 P CB 0.482 32.199 31.700 0.028 0.000 0.802 464 E N 0.843 121.068 120.200 0.041 0.000 2.268 464 E HA 0.051 4.401 4.350 0.001 0.000 0.195 464 E C 1.206 177.833 176.600 0.045 0.000 0.995 464 E CA 0.412 56.836 56.400 0.041 0.000 0.836 464 E CB -1.025 28.701 29.700 0.043 0.000 0.763 464 E HN 0.258 nan 8.360 nan 0.000 0.491 465 A N 1.552 124.404 122.820 0.054 0.000 2.498 465 A HA 0.057 4.377 4.320 0.001 0.000 0.239 465 A C 0.069 177.679 177.584 0.043 0.000 1.068 465 A CA 0.016 52.086 52.037 0.056 0.000 0.766 465 A CB 0.147 19.192 19.000 0.075 0.000 1.003 465 A HN 0.141 nan 8.150 nan 0.000 0.497 466 E N 2.689 122.909 120.200 0.034 0.000 2.182 466 E HA 0.355 4.706 4.350 0.001 0.000 0.258 466 E C -0.967 175.644 176.600 0.017 0.000 0.879 466 E CA -0.727 55.689 56.400 0.027 0.000 0.754 466 E CB 0.609 30.323 29.700 0.024 0.000 1.162 466 E HN 0.552 nan 8.360 nan 0.000 0.419 467 I N 6.614 127.198 120.570 0.023 0.000 2.494 467 I HA -0.017 4.154 4.170 0.001 0.000 0.289 467 I C 1.255 177.379 176.117 0.011 0.000 1.106 467 I CA 0.418 61.728 61.300 0.015 0.000 1.369 467 I CB 0.280 38.313 38.000 0.056 0.000 1.410 467 I HN 0.769 nan 8.210 nan 0.000 0.523 468 L N 5.489 126.708 121.223 -0.006 0.000 2.249 468 L HA 0.274 4.615 4.340 0.001 0.000 0.207 468 L C 1.114 177.985 176.870 0.002 0.000 1.090 468 L CA 0.397 55.236 54.840 -0.001 0.000 0.802 468 L CB -0.036 42.019 42.059 -0.008 0.000 0.947 468 L HN 0.835 nan 8.230 nan 0.000 0.453 469 G N -0.918 107.877 108.800 -0.008 0.000 2.328 469 G HA2 0.396 4.357 3.960 0.001 0.000 0.295 469 G HA3 0.396 4.357 3.960 0.001 0.000 0.295 469 G C -1.290 173.600 174.900 -0.016 0.000 1.413 469 G CA -0.098 45.004 45.100 0.003 0.000 0.817 469 G HN -0.094 nan 8.290 nan 0.000 0.546 470 T N -2.066 112.497 114.554 0.014 0.000 2.907 470 T HA 0.908 5.259 4.350 0.001 0.000 0.292 470 T C 0.058 174.780 174.700 0.037 0.000 1.043 470 T CA 0.139 62.248 62.100 0.014 0.000 1.003 470 T CB 1.772 70.693 68.868 0.088 0.000 1.084 470 T HN 2.106 nan 8.240 nan 0.000 0.483 471 S N 0.552 116.280 115.700 0.045 0.000 2.643 471 S HA 0.719 5.189 4.470 0.001 0.000 0.270 471 S C -1.415 173.229 174.600 0.073 0.000 1.166 471 S CA -1.165 57.070 58.200 0.057 0.000 0.815 471 S CB 0.786 64.020 63.200 0.057 0.000 1.139 471 S HN 0.839 nan 8.310 nan 0.000 0.472 472 I N 1.116 121.723 120.570 0.062 0.000 2.378 472 I HA 0.728 4.899 4.170 0.001 0.000 0.291 472 I C -0.172 176.061 176.117 0.194 0.000 0.992 472 I CA -0.769 60.571 61.300 0.066 0.000 1.154 472 I CB 1.650 39.531 38.000 -0.199 0.000 1.315 472 I HN 0.950 nan 8.210 nan 0.000 0.448 473 A N 5.886 128.870 122.820 0.274 0.000 2.398 473 A HA 0.560 4.881 4.320 0.001 0.000 0.301 473 A C -0.873 176.973 177.584 0.438 0.000 1.041 473 A CA -0.507 51.730 52.037 0.333 0.000 0.711 473 A CB 1.030 20.147 19.000 0.194 0.000 1.240 473 A HN 0.608 nan 8.150 nan 0.000 0.420 474 F N 2.455 122.666 119.950 0.434 0.000 2.607 474 F HA 0.395 4.923 4.527 0.001 0.000 0.374 474 F C 0.109 175.884 175.800 -0.041 0.000 1.104 474 F CA 1.312 59.440 58.000 0.214 0.000 1.296 474 F CB 0.343 39.473 39.000 0.216 0.000 1.085 474 F HN 0.672 nan 8.300 nan 0.000 0.584 475 D N 3.191 122.763 120.400 -1.380 0.000 2.692 475 D HA 0.397 5.038 4.640 0.001 0.000 0.303 475 D C -1.778 173.429 176.300 -1.821 0.000 1.278 475 D CA -0.173 53.020 54.000 -1.346 0.000 0.852 475 D CB 1.611 41.893 40.800 -0.863 0.000 1.375 475 D HN 0.454 nan 8.370 nan 0.000 0.453 476 Y N -1.357 118.196 120.300 -1.245 0.000 2.592 476 Y HA 0.625 5.175 4.550 0.001 0.000 0.334 476 Y C -1.681 174.083 175.900 -0.226 0.000 1.136 476 Y CA -0.970 56.661 58.100 -0.782 0.000 1.042 476 Y CB 1.234 39.341 38.460 -0.588 0.000 1.325 476 Y HN -0.060 nan 8.280 nan 0.000 0.457 477 D N 2.649 123.119 120.400 0.118 0.000 2.252 477 D HA 0.512 5.152 4.640 0.001 0.000 0.245 477 D C -0.893 175.456 176.300 0.083 0.000 1.009 477 D CA -0.403 53.643 54.000 0.078 0.000 0.870 477 D CB 2.657 43.534 40.800 0.129 0.000 1.251 477 D HN 0.688 nan 8.370 nan 0.000 0.460 478 L N 2.704 123.956 121.223 0.048 0.000 2.435 478 L HA 0.317 4.657 4.340 0.001 0.000 0.253 478 L C -2.202 174.682 176.870 0.024 0.000 1.087 478 L CA -1.597 53.269 54.840 0.043 0.000 0.950 478 L CB 0.929 43.036 42.059 0.080 0.000 1.304 478 L HN 0.016 nan 8.230 nan 0.000 0.453 479 P HA 0.086 nan 4.420 nan 0.000 0.268 479 P C 0.559 177.869 177.300 0.018 0.000 1.208 479 P CA -0.382 62.724 63.100 0.009 0.000 0.777 479 P CB 0.907 32.612 31.700 0.009 0.000 0.875 480 K N 1.525 121.931 120.400 0.011 0.000 2.211 480 K HA -0.065 4.256 4.320 0.001 0.000 0.203 480 K C 1.080 177.690 176.600 0.018 0.000 1.050 480 K CA 1.378 57.674 56.287 0.015 0.000 0.945 480 K CB 0.122 32.624 32.500 0.003 0.000 0.732 480 K HN 0.391 nan 8.250 nan 0.000 0.451 481 R N 0.364 120.874 120.500 0.017 0.000 2.572 481 R HA 0.141 4.482 4.340 0.001 0.000 0.370 481 R C 0.347 176.668 176.300 0.034 0.000 1.005 481 R CA 0.078 56.189 56.100 0.019 0.000 1.146 481 R CB 0.897 31.201 30.300 0.006 0.000 1.390 481 R HN 0.180 nan 8.270 nan 0.000 0.553 482 S N -1.293 114.438 115.700 0.051 0.000 2.727 482 S HA 0.423 4.894 4.470 0.001 0.000 0.278 482 S C -0.738 173.950 174.600 0.147 0.000 1.186 482 S CA -0.868 57.386 58.200 0.090 0.000 0.836 482 S CB 1.099 64.340 63.200 0.068 0.000 1.186 482 S HN 0.004 nan 8.310 nan 0.000 0.499 483 F N 3.360 123.310 119.950 0.000 0.000 2.444 483 F HA 0.438 4.966 4.527 0.001 0.000 0.331 483 F C 1.284 177.094 175.800 0.017 0.000 1.167 483 F CA -0.886 57.117 58.000 0.006 0.000 1.262 483 F CB 0.697 39.699 39.000 0.002 0.000 1.196 483 F HN 0.834 nan 8.300 nan 0.000 0.583 484 R N 2.901 122.944 120.500 -0.762 0.000 2.697 484 R HA 0.054 4.395 4.340 0.001 0.000 0.265 484 R C -1.207 174.902 176.300 -0.318 0.000 1.009 484 R CA 0.161 55.940 56.100 -0.536 0.000 1.099 484 R CB -0.094 29.787 30.300 -0.697 0.000 0.965 484 R HN 0.690 nan 8.270 nan 0.000 0.428 485 E N 3.189 123.334 120.200 -0.092 0.000 2.331 485 E HA 0.277 4.627 4.350 0.001 0.000 0.243 485 E C -2.362 174.275 176.600 0.061 0.000 0.925 485 E CA -2.148 54.279 56.400 0.046 0.000 0.760 485 E CB 2.021 31.797 29.700 0.126 0.000 1.254 485 E HN 0.552 nan 8.360 nan 0.000 0.419 486 P HA 0.136 nan 4.420 nan 0.000 0.278 486 P C -1.234 175.726 177.300 -0.566 0.000 1.238 486 P CA -0.161 62.585 63.100 -0.591 0.000 0.794 486 P CB 0.462 31.613 31.700 -0.916 0.000 0.955 487 Y N -1.059 118.791 120.300 -0.750 0.000 2.656 487 Y HA 0.643 5.194 4.550 0.001 0.000 0.334 487 Y C -1.564 174.194 175.900 -0.237 0.000 1.179 487 Y CA -1.585 56.288 58.100 -0.378 0.000 1.050 487 Y CB 0.482 38.655 38.460 -0.477 0.000 1.308 487 Y HN 0.005 nan 8.280 nan 0.000 0.456 488 F N 1.922 122.172 119.950 0.500 0.000 2.405 488 F HA 0.759 5.287 4.527 0.001 0.000 0.355 488 F C 0.417 176.436 175.800 0.365 0.000 1.121 488 F CA -0.803 57.431 58.000 0.390 0.000 1.112 488 F CB 1.516 40.738 39.000 0.370 0.000 1.126 488 F HN 0.779 nan 8.300 nan 0.000 0.481 489 A N 4.626 127.720 122.820 0.458 0.000 2.301 489 A HA 0.672 4.993 4.320 0.001 0.000 0.312 489 A C -0.412 177.331 177.584 0.265 0.000 1.182 489 A CA -0.665 51.577 52.037 0.342 0.000 0.826 489 A CB 0.357 19.532 19.000 0.293 0.000 1.134 489 A HN 0.550 nan 8.150 nan 0.000 0.501 490 I N 3.193 123.911 120.570 0.247 0.000 2.436 490 I HA 0.163 4.333 4.170 0.001 0.000 0.289 490 I C 0.050 176.270 176.117 0.172 0.000 1.083 490 I CA 0.131 61.579 61.300 0.246 0.000 1.372 490 I CB 0.131 38.369 38.000 0.397 0.000 1.408 490 I HN 0.459 nan 8.210 nan 0.000 0.516 491 K N 5.907 126.366 120.400 0.098 0.000 2.182 491 K HA 0.542 4.863 4.320 0.001 0.000 0.262 491 K C -0.736 175.812 176.600 -0.087 0.000 0.957 491 K CA -0.747 55.549 56.287 0.015 0.000 0.842 491 K CB 2.705 35.220 32.500 0.025 0.000 1.099 491 K HN 0.219 nan 8.250 nan 0.000 0.438 492 V N 3.345 123.140 119.914 -0.198 0.000 2.357 492 V HA 0.311 4.431 4.120 0.001 0.000 0.284 492 V C 0.019 175.982 176.094 -0.217 0.000 1.018 492 V CA -0.921 61.177 62.300 -0.336 0.000 0.841 492 V CB 1.343 32.747 31.823 -0.698 0.000 0.991 492 V HN 0.560 nan 8.190 nan 0.000 0.437 493 R N 5.523 125.935 120.500 -0.147 0.000 2.265 493 R HA 0.827 5.168 4.340 0.001 0.000 0.319 493 R C -0.977 175.269 176.300 -0.089 0.000 1.006 493 R CA -0.231 55.811 56.100 -0.097 0.000 0.880 493 R CB 0.879 31.147 30.300 -0.053 0.000 1.077 493 R HN 0.776 nan 8.270 nan 0.000 0.454 494 L N 0.376 121.550 121.223 -0.082 0.000 2.671 494 L HA 0.703 5.043 4.340 0.001 0.000 0.259 494 L C -1.347 175.504 176.870 -0.032 0.000 1.021 494 L CA -1.237 53.569 54.840 -0.055 0.000 0.871 494 L CB 2.081 44.097 42.059 -0.070 0.000 1.472 494 L HN 0.560 nan 8.230 nan 0.000 0.410 495 R N 1.456 121.953 120.500 -0.006 0.000 2.514 495 R HA 0.784 5.125 4.340 0.001 0.000 0.301 495 R C -1.412 174.908 176.300 0.032 0.000 0.962 495 R CA -0.824 55.283 56.100 0.012 0.000 0.882 495 R CB 2.245 32.556 30.300 0.017 0.000 1.143 495 R HN 0.600 nan 8.270 nan 0.000 0.452 496 L N 3.756 125.008 121.223 0.049 0.000 2.427 496 L HA 0.427 4.767 4.340 0.001 0.000 0.264 496 L C -2.681 174.234 176.870 0.075 0.000 0.989 496 L CA -2.033 52.853 54.840 0.077 0.000 0.865 496 L CB 1.737 43.869 42.059 0.122 0.000 1.209 496 L HN 0.446 nan 8.230 nan 0.000 0.430 497 P HA 0.314 nan 4.420 nan 0.000 0.267 497 P C -0.930 176.411 177.300 0.068 0.000 1.205 497 P CA 0.328 63.466 63.100 0.063 0.000 0.765 497 P CB 0.711 32.444 31.700 0.056 0.000 0.828 498 I N 1.721 122.332 120.570 0.069 0.000 2.787 498 I HA 0.306 4.477 4.170 0.001 0.000 0.294 498 I C -1.248 174.906 176.117 0.062 0.000 1.365 498 I CA -0.314 61.025 61.300 0.066 0.000 1.029 498 I CB 2.157 40.202 38.000 0.076 0.000 1.313 498 I HN 0.103 nan 8.210 nan 0.000 0.431 499 T N 7.409 121.994 114.554 0.051 0.000 2.786 499 T HA 0.604 4.954 4.350 0.001 0.000 0.283 499 T C -0.720 173.997 174.700 0.028 0.000 0.992 499 T CA -0.345 61.784 62.100 0.048 0.000 0.954 499 T CB 1.043 69.941 68.868 0.049 0.000 0.934 499 T HN 0.290 nan 8.240 nan 0.000 0.440 500 L N 5.498 126.737 121.223 0.026 0.000 2.362 500 L HA 0.470 4.811 4.340 0.001 0.000 0.275 500 L C -2.319 174.532 176.870 -0.031 0.000 0.998 500 L CA -2.485 52.354 54.840 -0.002 0.000 0.820 500 L CB 2.245 44.317 42.059 0.021 0.000 1.270 500 L HN 0.352 nan 8.230 nan 0.000 0.415 501 P HA 0.045 nan 4.420 nan 0.000 0.271 501 P C -0.591 176.625 177.300 -0.140 0.000 1.233 501 P CA -0.385 62.645 63.100 -0.116 0.000 0.789 501 P CB 0.493 32.100 31.700 -0.155 0.000 0.951 502 A N 2.552 125.257 122.820 -0.192 0.000 2.565 502 A HA 0.134 4.455 4.320 0.001 0.000 0.237 502 A C 0.700 178.145 177.584 -0.232 0.000 1.053 502 A CA 0.224 52.120 52.037 -0.235 0.000 0.755 502 A CB -1.193 17.611 19.000 -0.327 0.000 0.980 502 A HN 0.684 nan 8.150 nan 0.000 0.506 503 M N 1.903 121.368 119.600 -0.225 0.000 2.259 503 M HA -0.169 4.311 4.480 0.001 0.000 0.188 503 M C -0.262 175.961 176.300 -0.129 0.000 0.665 503 M CA 1.201 56.351 55.300 -0.251 0.000 0.464 503 M CB -1.876 30.419 32.600 -0.508 0.000 1.063 503 M HN 0.765 nan 8.290 nan 0.000 0.912 504 S N 0.032 115.702 115.700 -0.051 0.000 2.627 504 S HA 0.908 5.379 4.470 0.001 0.000 0.283 504 S C -1.050 173.600 174.600 0.083 0.000 1.127 504 S CA -0.370 57.762 58.200 -0.113 0.000 0.863 504 S CB 1.576 64.660 63.200 -0.193 0.000 1.121 504 S HN 0.681 nan 8.310 nan 0.000 0.479 505 W N 0.950 122.250 121.300 0.001 0.000 2.882 505 W HA 0.877 5.538 4.660 0.001 0.000 0.345 505 W C -1.144 175.287 176.519 -0.147 0.000 1.125 505 W CA -0.932 56.296 57.345 -0.195 0.000 1.167 505 W CB 0.801 29.974 29.460 -0.479 0.000 1.431 505 W HN 0.636 nan 8.180 nan 0.000 0.543 506 K N 1.105 121.557 120.400 0.086 0.000 2.513 506 K HA 0.536 4.856 4.320 0.001 0.000 0.251 506 K C -1.222 175.363 176.600 -0.024 0.000 0.939 506 K CA -0.442 55.876 56.287 0.051 0.000 0.793 506 K CB 2.040 34.533 32.500 -0.012 0.000 1.241 506 K HN 0.585 nan 8.250 nan 0.000 0.431 507 T N 4.465 119.035 114.554 0.027 0.000 2.795 507 T HA 0.475 4.826 4.350 0.001 0.000 0.282 507 T C -0.188 174.457 174.700 -0.092 0.000 0.980 507 T CA -0.569 61.476 62.100 -0.091 0.000 1.012 507 T CB 0.544 69.453 68.868 0.068 0.000 0.936 507 T HN 0.380 nan 8.240 nan 0.000 0.457 508 L N 1.320 122.192 121.223 -0.585 0.000 2.183 508 L HA 0.978 5.318 4.340 0.001 0.000 0.253 508 L C -0.266 176.007 176.870 -0.995 0.000 1.048 508 L CA -1.461 53.029 54.840 -0.584 0.000 0.890 508 L CB 1.588 43.241 42.059 -0.677 0.000 1.476 508 L HN 0.720 nan 8.230 nan 0.000 0.455 509 A N 0.611 123.169 122.820 -0.437 0.000 2.549 509 A HA 0.688 5.009 4.320 0.001 0.000 0.297 509 A C -1.776 175.989 177.584 0.301 0.000 1.061 509 A CA -0.419 51.523 52.037 -0.158 0.000 0.690 509 A CB 1.754 20.529 19.000 -0.376 0.000 1.287 509 A HN 0.463 nan 8.150 nan 0.000 0.402 510 L N 1.785 123.247 121.223 0.399 0.000 2.292 510 L HA 0.762 5.103 4.340 0.001 0.000 0.284 510 L C 0.102 177.192 176.870 0.367 0.000 1.065 510 L CA 0.276 55.312 54.840 0.326 0.000 0.806 510 L CB 0.638 42.833 42.059 0.227 0.000 1.175 510 L HN 0.855 nan 8.230 nan 0.000 0.431 511 K N 3.772 124.317 120.400 0.243 0.000 2.466 511 K HA 0.675 4.995 4.320 0.001 0.000 0.277 511 K C -1.661 174.888 176.600 -0.086 0.000 1.039 511 K CA -0.997 55.403 56.287 0.188 0.000 0.904 511 K CB 1.083 33.716 32.500 0.221 0.000 1.506 511 K HN 0.495 nan 8.250 nan 0.000 0.441 512 L N 0.444 121.567 121.223 -0.167 0.000 2.322 512 L HA 0.726 5.067 4.340 0.001 0.000 0.279 512 L C 0.151 176.942 176.870 -0.131 0.000 1.036 512 L CA -0.342 54.301 54.840 -0.327 0.000 0.807 512 L CB 1.863 43.688 42.059 -0.390 0.000 1.226 512 L HN 0.987 nan 8.230 nan 0.000 0.433 513 G N 1.597 110.307 108.800 -0.150 0.000 2.721 513 G HA2 0.398 4.359 3.960 0.001 0.000 0.296 513 G HA3 0.398 4.359 3.960 0.001 0.000 0.296 513 G C -1.603 173.247 174.900 -0.084 0.000 1.383 513 G CA -0.716 44.340 45.100 -0.073 0.000 0.788 513 G HN 0.598 nan 8.290 nan 0.000 0.500 522 V N 3.849 123.769 119.914 0.010 0.000 2.470 522 V HA 0.508 4.628 4.120 0.001 0.000 0.276 522 V C 0.500 176.605 176.094 0.019 0.000 1.040 522 V CA -0.148 62.158 62.300 0.009 0.000 1.008 522 V CB 1.062 32.886 31.823 0.002 0.000 0.990 522 V HN 0.569 nan 8.190 nan 0.000 0.477 523 S N 4.525 120.241 115.700 0.026 0.000 2.593 523 S HA 0.318 4.788 4.470 0.001 0.000 0.269 523 S C 1.273 175.906 174.600 0.055 0.000 1.334 523 S CA -0.584 57.644 58.200 0.046 0.000 1.015 523 S CB 0.920 64.156 63.200 0.061 0.000 0.912 523 S HN 0.603 nan 8.310 nan 0.000 0.541 524 L N 0.624 121.895 121.223 0.079 0.000 2.201 524 L HA 0.021 4.362 4.340 0.001 0.000 0.212 524 L C 0.345 177.303 176.870 0.145 0.000 1.105 524 L CA 0.972 55.869 54.840 0.094 0.000 0.775 524 L CB -0.174 41.941 42.059 0.094 0.000 0.913 524 L HN 0.581 nan 8.230 nan 0.000 0.440 525 Y N 0.606 120.918 120.300 0.021 0.000 2.341 525 Y HA 0.317 4.867 4.550 0.001 0.000 0.337 525 Y C -0.587 175.325 175.900 0.019 0.000 1.014 525 Y CA -1.610 56.503 58.100 0.022 0.000 1.111 525 Y CB 1.007 39.481 38.460 0.024 0.000 1.194 525 Y HN -0.149 nan 8.280 nan 0.000 0.462 526 D N 4.579 124.591 120.400 -0.648 0.000 2.392 526 D HA 0.115 4.756 4.640 0.001 0.000 0.228 526 D C 0.128 175.914 176.300 -0.857 0.000 1.074 526 D CA -0.119 53.566 54.000 -0.525 0.000 0.838 526 D CB 1.180 41.812 40.800 -0.279 0.000 1.067 526 D HN 0.762 nan 8.370 nan 0.000 0.511 527 D N 1.498 121.563 120.400 -0.559 0.000 2.183 527 D HA -0.165 4.475 4.640 0.001 0.000 0.203 527 D C 1.866 178.075 176.300 -0.152 0.000 0.969 527 D CA 1.146 54.964 54.000 -0.304 0.000 0.842 527 D CB 0.330 41.146 40.800 0.027 0.000 0.957 527 D HN 0.416 nan 8.370 nan 0.000 0.484 528 S N -0.629 114.991 115.700 -0.133 0.000 2.442 528 S HA -0.144 4.326 4.470 0.001 0.000 0.236 528 S C 1.704 176.258 174.600 -0.076 0.000 1.007 528 S CA 1.024 59.179 58.200 -0.075 0.000 0.965 528 S CB -0.113 63.050 63.200 -0.062 0.000 0.773 528 S HN 0.113 nan 8.310 nan 0.000 0.504 529 N N 0.685 119.307 118.700 -0.129 0.000 2.210 529 N HA 0.111 4.852 4.740 0.001 0.000 0.203 529 N C -0.358 175.101 175.510 -0.084 0.000 1.175 529 N CA 0.081 53.071 53.050 -0.100 0.000 0.894 529 N CB -0.122 38.293 38.487 -0.119 0.000 1.041 529 N HN 0.441 nan 8.380 nan 0.000 0.506 530 Q N 0.100 119.820 119.800 -0.133 0.000 2.439 530 Q HA -0.212 4.129 4.340 0.001 0.000 0.325 530 Q C -0.997 175.055 176.000 0.086 0.000 1.372 530 Q CA 0.467 56.286 55.803 0.026 0.000 0.909 530 Q CB -2.238 26.584 28.738 0.140 0.000 1.167 530 Q HN 0.395 nan 8.270 nan 0.000 0.418 531 C N 0.832 120.058 119.300 -0.122 0.000 2.364 531 C HA 0.628 5.088 4.460 0.001 0.000 0.324 531 C C -0.055 174.993 174.990 0.097 0.000 1.234 531 C CA -0.733 58.296 59.018 0.018 0.000 1.417 531 C CB 0.618 28.337 27.740 -0.037 0.000 2.101 531 C HN 0.510 nan 8.230 nan 0.000 0.466 532 L N 5.211 126.578 121.223 0.241 0.000 2.276 532 L HA 0.586 4.926 4.340 0.001 0.000 0.286 532 L C 0.053 177.000 176.870 0.129 0.000 1.061 532 L CA 0.277 55.257 54.840 0.233 0.000 0.807 532 L CB 1.045 43.229 42.059 0.208 0.000 1.177 532 L HN 0.710 nan 8.230 nan 0.000 0.429 533 E N 3.266 123.526 120.200 0.099 0.000 2.278 533 E HA 0.284 4.635 4.350 0.001 0.000 0.272 533 E C -1.333 175.307 176.600 0.065 0.000 0.890 533 E CA -0.626 55.818 56.400 0.073 0.000 0.770 533 E CB 1.706 31.431 29.700 0.042 0.000 1.212 533 E HN 0.723 nan 8.360 nan 0.000 0.415 534 N N 1.924 120.669 118.700 0.075 0.000 3.184 534 N HA 0.358 5.099 4.740 0.001 0.000 0.353 534 N C 0.963 176.471 175.510 -0.003 0.000 1.441 534 N CA -0.118 52.963 53.050 0.052 0.000 0.723 534 N CB -0.166 38.382 38.487 0.102 0.000 1.547 534 N HN 0.395 nan 8.380 nan 0.000 0.624 535 G N -1.452 107.280 108.800 -0.114 0.000 2.534 535 G HA2 -0.023 3.937 3.960 0.001 0.000 0.217 535 G HA3 -0.023 3.937 3.960 0.001 0.000 0.217 535 G C 0.370 175.071 174.900 -0.332 0.000 1.128 535 G CA 0.401 45.330 45.100 -0.286 0.000 0.784 535 G HN 0.375 nan 8.290 nan 0.000 0.542 536 F N -0.299 119.667 119.950 0.027 0.000 2.383 536 F HA 0.466 4.994 4.527 0.001 0.000 0.287 536 F C 0.935 176.771 175.800 0.060 0.000 1.069 536 F CA 0.146 58.166 58.000 0.032 0.000 1.402 536 F CB 0.194 39.206 39.000 0.020 0.000 1.116 536 F HN -0.147 nan 8.300 nan 0.000 0.549 537 L N 0.199 121.576 121.223 0.256 0.000 2.401 537 L HA 0.421 4.762 4.340 0.001 0.000 0.266 537 L C -0.596 176.358 176.870 0.140 0.000 0.991 537 L CA -0.880 54.084 54.840 0.206 0.000 0.818 537 L CB 2.495 44.693 42.059 0.232 0.000 1.321 537 L HN -0.222 nan 8.230 nan 0.000 0.413 538 K N 2.149 122.621 120.400 0.121 0.000 2.265 538 K HA 0.601 4.922 4.320 0.001 0.000 0.267 538 K C -1.507 175.151 176.600 0.096 0.000 0.994 538 K CA -0.480 55.861 56.287 0.091 0.000 0.860 538 K CB 1.639 34.177 32.500 0.064 0.000 1.099 538 K HN 0.375 nan 8.250 nan 0.000 0.448 539 V N 6.328 126.300 119.914 0.097 0.000 2.304 539 V HA 0.269 4.389 4.120 0.001 0.000 0.278 539 V C -0.156 175.999 176.094 0.102 0.000 1.018 539 V CA -0.710 61.647 62.300 0.096 0.000 0.814 539 V CB 1.140 33.028 31.823 0.109 0.000 1.021 539 V HN 0.869 nan 8.190 nan 0.000 0.440 540 M N 5.918 125.565 119.600 0.078 0.000 2.108 540 M HA 0.526 5.007 4.480 0.001 0.000 0.354 540 M C -0.677 175.671 176.300 0.080 0.000 1.229 540 M CA -0.371 54.973 55.300 0.074 0.000 1.081 540 M CB 0.705 33.332 32.600 0.045 0.000 1.606 540 M HN 0.507 nan 8.290 nan 0.000 0.467 541 I N 5.837 126.474 120.570 0.111 0.000 2.363 541 I HA 0.063 4.234 4.170 0.001 0.000 0.292 541 I C 0.362 176.519 176.117 0.067 0.000 1.075 541 I CA -0.180 61.178 61.300 0.097 0.000 1.333 541 I CB 0.615 38.693 38.000 0.131 0.000 1.415 541 I HN 0.701 nan 8.210 nan 0.000 0.502 542 Q N 3.193 123.016 119.800 0.039 0.000 2.492 542 Q HA 0.027 4.368 4.340 0.001 0.000 0.238 542 Q C 1.606 177.621 176.000 0.026 0.000 1.045 542 Q CA 0.262 56.078 55.803 0.023 0.000 0.934 542 Q CB 0.563 29.301 28.738 0.001 0.000 1.276 542 Q HN 0.782 nan 8.270 nan 0.000 0.521 543 T N -2.282 112.284 114.554 0.019 0.000 2.849 543 T HA -0.178 4.172 4.350 0.001 0.000 0.270 543 T C 0.981 175.691 174.700 0.017 0.000 1.066 543 T CA 1.563 63.675 62.100 0.021 0.000 1.130 543 T CB -0.180 68.698 68.868 0.016 0.000 0.864 543 T HN 0.762 nan 8.240 nan 0.000 0.481 544 D N 0.603 121.006 120.400 0.006 0.000 2.339 544 D HA 0.253 4.893 4.640 0.001 0.000 0.217 544 D C 1.666 177.966 176.300 0.001 0.000 1.050 544 D CA 0.545 54.544 54.000 -0.001 0.000 0.856 544 D CB -0.615 40.175 40.800 -0.018 0.000 0.922 544 D HN 0.616 nan 8.370 nan 0.000 0.518 545 G N 0.270 109.077 108.800 0.013 0.000 2.195 545 G HA2 -0.319 3.642 3.960 0.001 0.000 0.246 545 G HA3 -0.319 3.642 3.960 0.001 0.000 0.246 545 G C 0.493 175.402 174.900 0.016 0.000 0.984 545 G CA 0.032 45.150 45.100 0.029 0.000 0.633 545 G HN 0.466 nan 8.290 nan 0.000 0.525 546 R N -0.355 120.128 120.500 -0.029 0.000 2.726 546 R HA 0.668 5.009 4.340 0.001 0.000 0.272 546 R C 0.364 176.636 176.300 -0.046 0.000 1.097 546 R CA -0.099 55.953 56.100 -0.081 0.000 1.198 546 R CB 0.350 30.576 30.300 -0.124 0.000 1.114 546 R HN 0.277 nan 8.270 nan 0.000 0.550 547 L N 0.141 121.322 121.223 -0.069 0.000 2.346 547 L HA 0.400 4.741 4.340 0.001 0.000 0.274 547 L C -0.276 176.582 176.870 -0.019 0.000 1.007 547 L CA -0.730 54.096 54.840 -0.023 0.000 0.818 547 L CB 2.157 44.209 42.059 -0.011 0.000 1.284 547 L HN 0.515 nan 8.230 nan 0.000 0.424 548 T N 3.890 118.451 114.554 0.012 0.000 2.756 548 T HA 0.582 4.932 4.350 0.001 0.000 0.290 548 T C -0.145 174.582 174.700 0.045 0.000 0.985 548 T CA -0.167 61.951 62.100 0.030 0.000 0.955 548 T CB 0.556 69.439 68.868 0.025 0.000 0.930 548 T HN 0.273 nan 8.240 nan 0.000 0.451 549 I N 3.113 123.725 120.570 0.069 0.000 2.378 549 I HA 0.317 4.488 4.170 0.001 0.000 0.291 549 I C 0.215 176.441 176.117 0.182 0.000 0.992 549 I CA -0.674 60.682 61.300 0.094 0.000 1.154 549 I CB 1.837 39.818 38.000 -0.033 0.000 1.315 549 I HN 0.448 nan 8.210 nan 0.000 0.448 550 T N 4.039 118.682 114.554 0.147 0.000 2.758 550 T HA 0.125 4.475 4.350 0.001 0.000 0.285 550 T C -0.283 174.522 174.700 0.175 0.000 0.981 550 T CA -0.421 61.758 62.100 0.132 0.000 0.965 550 T CB 0.991 69.903 68.868 0.073 0.000 0.927 550 T HN 0.436 nan 8.240 nan 0.000 0.448 551 D N 2.731 123.252 120.400 0.202 0.000 2.338 551 D HA 0.096 4.737 4.640 0.001 0.000 0.255 551 D C 0.913 177.290 176.300 0.129 0.000 1.237 551 D CA -0.066 54.055 54.000 0.202 0.000 0.883 551 D CB 0.827 41.763 40.800 0.227 0.000 1.087 551 D HN 0.418 nan 8.370 nan 0.000 0.485 552 K N 2.704 123.177 120.400 0.122 0.000 2.288 552 K HA -0.172 4.149 4.320 0.001 0.000 0.201 552 K C 1.589 178.222 176.600 0.054 0.000 1.048 552 K CA 0.686 57.016 56.287 0.071 0.000 0.956 552 K CB 0.288 32.817 32.500 0.048 0.000 0.746 552 K HN 0.323 nan 8.250 nan 0.000 0.461 553 Q N 0.801 120.649 119.800 0.080 0.000 2.033 553 Q HA -0.080 4.260 4.340 0.001 0.000 0.196 553 Q C 1.938 177.970 176.000 0.053 0.000 0.970 553 Q CA 2.096 57.938 55.803 0.064 0.000 0.828 553 Q CB 0.028 28.822 28.738 0.094 0.000 0.895 553 Q HN 0.209 nan 8.270 nan 0.000 0.440 554 S N -2.011 113.728 115.700 0.065 0.000 2.486 554 S HA 0.290 4.761 4.470 0.001 0.000 0.220 554 S C 1.521 176.137 174.600 0.028 0.000 1.011 554 S CA 0.548 58.777 58.200 0.048 0.000 0.921 554 S CB 0.290 63.527 63.200 0.061 0.000 0.785 554 S HN 0.766 nan 8.310 nan 0.000 0.517 555 G N 0.581 109.401 108.800 0.033 0.000 2.199 555 G HA2 -0.215 3.746 3.960 0.001 0.000 0.254 555 G HA3 -0.215 3.746 3.960 0.001 0.000 0.254 555 G C -0.128 174.763 174.900 -0.015 0.000 0.982 555 G CA 0.232 45.339 45.100 0.010 0.000 0.632 555 G HN 0.494 nan 8.290 nan 0.000 0.529 556 L N 0.850 122.060 121.223 -0.022 0.000 2.456 556 L HA 0.556 4.897 4.340 0.001 0.000 0.272 556 L C 0.836 177.605 176.870 -0.169 0.000 1.189 556 L CA 0.404 55.167 54.840 -0.128 0.000 0.846 556 L CB 0.871 42.840 42.059 -0.150 0.000 1.111 556 L HN 0.224 nan 8.230 nan 0.000 0.475 557 I N 3.196 123.592 120.570 -0.291 0.000 2.406 557 I HA 0.273 4.444 4.170 0.001 0.000 0.290 557 I C -1.194 174.712 176.117 -0.350 0.000 0.999 557 I CA -0.601 60.580 61.300 -0.199 0.000 1.124 557 I CB 1.251 39.192 38.000 -0.099 0.000 1.289 557 I HN 0.352 nan 8.210 nan 0.000 0.441 558 Y N 4.862 125.204 120.300 0.070 0.000 2.388 558 Y HA 0.413 4.964 4.550 0.001 0.000 0.328 558 Y C 0.127 176.043 175.900 0.027 0.000 0.963 558 Y CA -0.637 57.509 58.100 0.077 0.000 1.240 558 Y CB 1.094 39.623 38.460 0.116 0.000 1.118 558 Y HN 0.482 nan 8.280 nan 0.000 0.484 559 Q N 1.695 121.577 119.800 0.136 0.000 2.256 559 Q HA 0.202 4.543 4.340 0.001 0.000 0.232 559 Q C -0.356 175.675 176.000 0.053 0.000 0.965 559 Q CA -0.643 55.198 55.803 0.063 0.000 0.908 559 Q CB 0.773 29.521 28.738 0.018 0.000 1.209 559 Q HN 0.642 nan 8.270 nan 0.000 0.489 560 D N 0.242 120.636 120.400 -0.009 0.000 2.772 560 D HA -0.187 4.453 4.640 0.001 0.000 0.233 560 D C -0.748 175.479 176.300 -0.121 0.000 1.143 560 D CA 0.845 54.805 54.000 -0.066 0.000 0.700 560 D CB -1.361 39.404 40.800 -0.059 0.000 1.076 560 D HN 0.364 nan 8.370 nan 0.000 0.430 561 L N -0.451 120.699 121.223 -0.122 0.000 2.439 561 L HA 0.320 4.660 4.340 0.001 0.000 0.261 561 L C 1.499 178.109 176.870 -0.433 0.000 1.153 561 L CA -0.800 53.898 54.840 -0.237 0.000 0.808 561 L CB 0.530 42.506 42.059 -0.138 0.000 1.126 561 L HN 0.126 nan 8.230 nan 0.000 0.460 562 L N 1.312 122.028 121.223 -0.846 0.000 3.512 562 L HA -0.185 4.155 4.340 0.001 0.000 0.446 562 L C 0.130 176.441 176.870 -0.933 0.000 1.290 562 L CA 0.701 54.906 54.840 -1.060 0.000 0.871 562 L CB -0.744 40.886 42.059 -0.714 0.000 1.767 562 L HN 0.744 nan 8.230 nan 0.000 0.855 563 R N 0.538 120.550 120.500 -0.813 0.000 2.297 563 R HA 0.548 4.889 4.340 0.001 0.000 0.308 563 R C -0.667 175.245 176.300 -0.646 0.000 1.029 563 R CA -0.450 55.307 56.100 -0.571 0.000 0.929 563 R CB 0.499 30.558 30.300 -0.402 0.000 1.046 563 R HN 0.183 nan 8.270 nan 0.000 0.461 564 F N 2.753 122.602 119.950 -0.169 0.000 2.410 564 F HA 0.277 4.805 4.527 0.001 0.000 0.349 564 F C 0.425 176.221 175.800 -0.006 0.000 1.117 564 F CA -0.367 57.560 58.000 -0.122 0.000 1.104 564 F CB 1.449 40.346 39.000 -0.171 0.000 1.122 564 F HN 0.462 nan 8.300 nan 0.000 0.483 565 E N 3.039 123.362 120.200 0.205 0.000 2.191 565 E HA 0.224 4.574 4.350 0.001 0.000 0.263 565 E C -1.881 174.826 176.600 0.179 0.000 0.881 565 E CA -0.661 55.860 56.400 0.202 0.000 0.757 565 E CB 1.541 31.358 29.700 0.194 0.000 1.147 565 E HN 0.693 nan 8.360 nan 0.000 0.414 566 D N 3.364 123.905 120.400 0.234 0.000 2.308 566 D HA 0.366 5.007 4.640 0.001 0.000 0.242 566 D C -1.276 175.146 176.300 0.203 0.000 1.059 566 D CA -0.227 53.921 54.000 0.247 0.000 0.830 566 D CB 0.806 41.794 40.800 0.313 0.000 1.161 566 D HN 0.354 nan 8.370 nan 0.000 0.494 567 C N 2.602 121.993 119.300 0.152 0.000 2.848 567 C HA 0.891 5.352 4.460 0.001 0.000 0.317 567 C C 0.911 175.986 174.990 0.142 0.000 1.260 567 C CA -0.804 58.293 59.018 0.132 0.000 1.656 567 C CB 1.417 29.202 27.740 0.074 0.000 2.174 567 C HN 0.736 nan 8.230 nan 0.000 0.479 568 G N 0.441 109.318 108.800 0.128 0.000 2.539 568 G HA2 0.483 4.444 3.960 0.001 0.000 0.258 568 G HA3 0.483 4.444 3.960 0.001 0.000 0.258 568 G C -1.193 173.765 174.900 0.097 0.000 1.202 568 G CA 0.359 45.528 45.100 0.115 0.000 0.851 568 G HN 0.733 nan 8.290 nan 0.000 0.556 569 D N 0.388 120.845 120.400 0.096 0.000 2.602 569 D HA 0.178 4.818 4.640 0.001 0.000 0.245 569 D C 0.550 176.899 176.300 0.081 0.000 1.325 569 D CA -0.558 53.492 54.000 0.082 0.000 0.952 569 D CB 1.239 42.081 40.800 0.069 0.000 1.317 569 D HN 0.347 nan 8.370 nan 0.000 0.577 570 I N 1.189 121.804 120.570 0.074 0.000 3.816 570 I HA 0.552 4.723 4.170 0.001 0.000 0.334 570 I C 0.740 176.898 176.117 0.069 0.000 1.551 570 I CA -0.667 60.671 61.300 0.064 0.000 1.153 570 I CB 0.946 38.972 38.000 0.043 0.000 1.197 570 I HN 0.194 nan 8.210 nan 0.000 0.439 571 G N 1.992 110.845 108.800 0.089 0.000 2.945 571 G HA2 0.509 4.470 3.960 0.001 0.000 0.156 571 G HA3 0.509 4.470 3.960 0.001 0.000 0.156 571 G C -0.501 174.478 174.900 0.131 0.000 1.375 571 G CA -0.087 45.077 45.100 0.107 0.000 1.039 571 G HN 0.542 nan 8.290 nan 0.000 0.586 572 N N -2.618 116.180 118.700 0.165 0.000 3.387 572 N HA 0.206 4.947 4.740 0.001 0.000 0.322 572 N C 0.351 175.975 175.510 0.190 0.000 1.588 572 N CA -0.594 52.576 53.050 0.201 0.000 0.778 572 N CB 0.877 39.527 38.487 0.272 0.000 1.883 572 N HN 0.346 nan 8.380 nan 0.000 0.628 573 E N -1.446 118.868 120.200 0.190 0.000 2.274 573 E HA -0.057 4.294 4.350 0.001 0.000 0.194 573 E C 0.430 177.040 176.600 0.016 0.000 0.996 573 E CA 1.012 57.449 56.400 0.062 0.000 0.840 573 E CB -0.252 29.446 29.700 -0.003 0.000 0.772 573 E HN 0.491 nan 8.360 nan 0.000 0.491 574 Y N -0.239 120.152 120.300 0.152 0.000 2.436 574 Y HA 0.198 4.749 4.550 0.001 0.000 0.288 574 Y C 0.969 176.922 175.900 0.088 0.000 1.112 574 Y CA 0.228 58.400 58.100 0.119 0.000 1.220 574 Y CB 0.737 39.254 38.460 0.096 0.000 1.073 574 Y HN -0.147 nan 8.280 nan 0.000 0.552 575 I N -0.774 119.957 120.570 0.269 0.000 2.534 575 I HA 0.217 4.387 4.170 0.001 0.000 0.288 575 I C -0.587 175.624 176.117 0.158 0.000 1.077 575 I CA -0.817 60.597 61.300 0.191 0.000 1.051 575 I CB 2.058 40.177 38.000 0.198 0.000 1.234 575 I HN -0.260 nan 8.210 nan 0.000 0.425 576 S N 4.641 120.414 115.700 0.122 0.000 2.525 576 S HA 0.607 5.078 4.470 0.001 0.000 0.278 576 S C -0.463 174.236 174.600 0.164 0.000 1.234 576 S CA -0.357 57.908 58.200 0.108 0.000 1.058 576 S CB 0.604 63.836 63.200 0.055 0.000 0.983 576 S HN 0.574 nan 8.310 nan 0.000 0.495 577 R N 3.248 123.839 120.500 0.152 0.000 2.502 577 R HA 0.394 4.734 4.340 0.001 0.000 0.298 577 R C -1.501 174.871 176.300 0.119 0.000 1.018 577 R CA -0.424 55.785 56.100 0.182 0.000 0.899 577 R CB 0.806 31.188 30.300 0.137 0.000 1.181 577 R HN 0.536 nan 8.270 nan 0.000 0.444 578 Q N 5.456 125.326 119.800 0.117 0.000 2.304 578 Q HA 0.340 4.681 4.340 0.001 0.000 0.260 578 Q C -2.068 173.975 176.000 0.070 0.000 0.965 578 Q CA -1.609 54.244 55.803 0.084 0.000 0.898 578 Q CB 0.767 29.546 28.738 0.069 0.000 1.196 578 Q HN 0.472 nan 8.270 nan 0.000 0.402 579 P HA -0.077 nan 4.420 nan 0.000 0.269 579 P C -0.624 176.683 177.300 0.011 0.000 1.217 579 P CA -0.186 62.936 63.100 0.037 0.000 0.783 579 P CB 0.504 32.234 31.700 0.050 0.000 0.898 580 N N 1.692 120.376 118.700 -0.028 0.000 2.359 580 N HA -0.106 4.634 4.740 0.001 0.000 0.261 580 N C 0.422 175.888 175.510 -0.073 0.000 1.267 580 N CA 0.763 53.725 53.050 -0.147 0.000 0.864 580 N CB -0.791 37.604 38.487 -0.153 0.000 1.063 580 N HN 0.567 nan 8.380 nan 0.000 0.474 581 H N -2.352 116.734 119.070 0.027 0.000 2.992 581 H HA -0.193 4.364 4.556 0.001 0.000 0.266 581 H C -0.429 174.905 175.328 0.009 0.000 1.200 581 H CA 0.710 56.767 56.048 0.016 0.000 1.135 581 H CB -1.213 28.555 29.762 0.010 0.000 1.282 581 H HN 0.565 nan 8.280 nan 0.000 0.351 582 D N 1.569 122.019 120.400 0.083 0.000 2.493 582 D HA 0.041 4.682 4.640 0.001 0.000 0.240 582 D C 0.089 176.400 176.300 0.018 0.000 1.142 582 D CA 0.455 54.491 54.000 0.060 0.000 0.872 582 D CB 0.655 41.489 40.800 0.057 0.000 1.173 582 D HN 0.163 nan 8.370 nan 0.000 0.467 583 Q N 4.211 123.987 119.800 -0.039 0.000 2.322 583 Q HA 0.391 4.732 4.340 0.001 0.000 0.265 583 Q C -2.128 173.710 176.000 -0.271 0.000 0.985 583 Q CA -2.028 53.687 55.803 -0.147 0.000 0.849 583 Q CB 1.579 30.199 28.738 -0.197 0.000 1.274 583 Q HN 0.454 nan 8.270 nan 0.000 0.449 584 P HA 0.187 nan 4.420 nan 0.000 0.272 584 P C -0.819 176.094 177.300 -0.644 0.000 1.223 584 P CA -0.013 62.855 63.100 -0.386 0.000 0.784 584 P CB 0.459 31.839 31.700 -0.534 0.000 0.923 585 F N 1.128 120.898 119.950 -0.299 0.000 2.420 585 F HA 0.344 4.872 4.527 0.001 0.000 0.342 585 F C 0.276 176.001 175.800 -0.126 0.000 1.113 585 F CA -0.373 57.561 58.000 -0.110 0.000 1.059 585 F CB 0.982 40.061 39.000 0.132 0.000 1.128 585 F HN 0.194 nan 8.300 nan 0.000 0.475 586 Y N 1.229 121.667 120.300 0.230 0.000 2.352 586 Y HA 0.473 5.023 4.550 0.001 0.000 0.339 586 Y C 0.869 176.573 175.900 -0.326 0.000 0.992 586 Y CA -1.231 56.847 58.100 -0.036 0.000 1.100 586 Y CB 1.703 40.136 38.460 -0.045 0.000 1.192 586 Y HN 0.716 nan 8.280 nan 0.000 0.458 587 A N 1.916 124.372 122.820 -0.607 0.000 1.972 587 A HA -0.175 4.146 4.320 0.001 0.000 0.219 587 A C 1.807 179.206 177.584 -0.309 0.000 1.169 587 A CA 1.819 53.238 52.037 -1.030 0.000 0.635 587 A CB -0.534 17.939 19.000 -0.877 0.000 0.810 587 A HN 0.896 nan 8.150 nan 0.000 0.446 588 D N -0.534 119.794 120.400 -0.120 0.000 2.351 588 D HA -0.197 4.443 4.640 0.001 0.000 0.216 588 D C 1.302 177.597 176.300 -0.007 0.000 0.968 588 D CA 1.089 55.060 54.000 -0.048 0.000 0.899 588 D CB -0.354 40.409 40.800 -0.062 0.000 0.907 588 D HN 0.660 nan 8.370 nan 0.000 0.514 589 Q N 0.517 120.335 119.800 0.030 0.000 2.319 589 Q HA 0.223 4.564 4.340 0.001 0.000 0.202 589 Q C 1.243 177.303 176.000 0.101 0.000 0.896 589 Q CA -0.016 55.833 55.803 0.077 0.000 0.942 589 Q CB 1.102 29.916 28.738 0.126 0.000 1.083 589 Q HN 0.278 nan 8.270 nan 0.000 0.510 590 G N 0.337 109.194 108.800 0.094 0.000 2.630 590 G HA2 0.172 4.133 3.960 0.001 0.000 0.223 590 G HA3 0.172 4.133 3.960 0.001 0.000 0.223 590 G C -0.383 174.569 174.900 0.086 0.000 1.434 590 G CA -0.363 44.820 45.100 0.137 0.000 1.057 590 G HN -0.013 nan 8.290 nan 0.000 0.570 591 T N 1.712 116.320 114.554 0.090 0.000 2.743 591 T HA 0.446 4.796 4.350 0.001 0.000 0.293 591 T C -0.159 174.571 174.700 0.050 0.000 0.945 591 T CA -0.054 62.084 62.100 0.063 0.000 1.030 591 T CB 0.737 69.641 68.868 0.061 0.000 0.912 591 T HN 0.159 nan 8.240 nan 0.000 0.483 592 I N 4.215 124.808 120.570 0.039 0.000 2.377 592 I HA 0.531 4.702 4.170 0.001 0.000 0.293 592 I C 0.113 176.249 176.117 0.033 0.000 0.987 592 I CA -1.074 60.245 61.300 0.032 0.000 1.185 592 I CB 1.270 39.286 38.000 0.027 0.000 1.341 592 I HN 0.668 nan 8.210 nan 0.000 0.455 593 K N 5.472 125.891 120.400 0.031 0.000 2.477 593 K HA 0.793 5.114 4.320 0.001 0.000 0.255 593 K C -2.043 174.574 176.600 0.028 0.000 0.952 593 K CA -0.835 55.470 56.287 0.031 0.000 0.826 593 K CB 2.527 35.044 32.500 0.029 0.000 1.331 593 K HN 0.329 nan 8.250 nan 0.000 0.437 594 L N 1.765 123.005 121.223 0.030 0.000 2.365 594 L HA 0.540 4.880 4.340 0.001 0.000 0.273 594 L C -1.729 175.147 176.870 0.010 0.000 1.000 594 L CA -0.199 54.654 54.840 0.022 0.000 0.819 594 L CB 1.858 43.942 42.059 0.042 0.000 1.284 594 L HN 0.913 nan 8.230 nan 0.000 0.418 595 N N 4.771 123.461 118.700 -0.017 0.000 2.352 595 N HA 0.542 5.283 4.740 0.001 0.000 0.291 595 N C -1.270 174.200 175.510 -0.067 0.000 1.040 595 N CA -0.590 52.447 53.050 -0.022 0.000 0.864 595 N CB 2.013 40.494 38.487 -0.009 0.000 1.440 595 N HN 0.448 nan 8.380 nan 0.000 0.483 596 I N 3.264 123.798 120.570 -0.060 0.000 2.337 596 I HA 0.121 4.292 4.170 0.001 0.000 0.291 596 I C 0.824 176.912 176.117 -0.048 0.000 1.046 596 I CA -0.303 60.941 61.300 -0.094 0.000 1.324 596 I CB 0.671 38.652 38.000 -0.032 0.000 1.409 596 I HN 0.598 nan 8.210 nan 0.000 0.494 597 I N 3.641 124.176 120.570 -0.058 0.000 2.429 597 I HA 0.012 4.183 4.170 0.001 0.000 0.247 597 I C 1.058 177.165 176.117 -0.017 0.000 1.099 597 I CA 1.104 62.386 61.300 -0.030 0.000 1.422 597 I CB -0.341 37.641 38.000 -0.030 0.000 1.112 597 I HN 0.682 nan 8.210 nan 0.000 0.430 598 S N 0.592 116.279 115.700 -0.021 0.000 2.570 598 S HA 0.566 5.037 4.470 0.001 0.000 0.270 598 S C -0.868 173.738 174.600 0.010 0.000 1.149 598 S CA -0.769 57.431 58.200 -0.000 0.000 0.837 598 S CB 2.822 66.022 63.200 0.001 0.000 1.124 598 S HN 0.197 nan 8.310 nan 0.000 0.465 599 N N 0.800 119.521 118.700 0.035 0.000 2.875 599 N HA 0.459 5.200 4.740 0.001 0.000 0.253 599 N C -0.914 174.633 175.510 0.060 0.000 1.296 599 N CA 0.229 53.319 53.050 0.066 0.000 0.816 599 N CB 1.655 40.210 38.487 0.114 0.000 1.504 599 N HN 1.052 nan 8.380 nan 0.000 0.582 600 T N -1.207 113.379 114.554 0.053 0.000 2.742 600 T HA 0.742 5.092 4.350 0.001 0.000 0.282 600 T C 1.086 175.814 174.700 0.047 0.000 1.025 600 T CA -0.115 62.012 62.100 0.045 0.000 1.020 600 T CB 0.918 69.807 68.868 0.035 0.000 1.317 600 T HN 0.159 nan 8.240 nan 0.000 0.538 601 A N -0.270 122.573 122.820 0.038 0.000 2.066 601 A HA 0.033 4.354 4.320 0.001 0.000 0.218 601 A C 2.212 179.819 177.584 0.038 0.000 1.157 601 A CA 0.885 52.943 52.037 0.035 0.000 0.670 601 A CB -0.723 18.293 19.000 0.027 0.000 0.804 601 A HN 0.688 nan 8.150 nan 0.000 0.453 602 Q N -1.455 118.368 119.800 0.038 0.000 2.259 602 Q HA 0.237 4.578 4.340 0.001 0.000 0.201 602 Q C 0.241 176.265 176.000 0.040 0.000 0.938 602 Q CA 0.973 56.799 55.803 0.040 0.000 0.872 602 Q CB 0.424 29.185 28.738 0.037 0.000 0.971 602 Q HN 0.426 nan 8.270 nan 0.000 0.494 603 V N -0.420 119.516 119.914 0.037 0.000 2.932 603 V HA 0.780 4.900 4.120 0.001 0.000 0.307 603 V C -2.014 174.099 176.094 0.032 0.000 1.147 603 V CA -0.673 61.645 62.300 0.030 0.000 0.951 603 V CB 1.992 33.827 31.823 0.019 0.000 1.031 603 V HN 0.114 nan 8.190 nan 0.000 0.426 604 A N 4.678 127.514 122.820 0.027 0.000 2.356 604 A HA 0.908 5.229 4.320 0.001 0.000 0.310 604 A C -0.814 176.757 177.584 -0.020 0.000 1.075 604 A CA -0.599 51.450 52.037 0.020 0.000 0.746 604 A CB 1.539 20.578 19.000 0.065 0.000 1.221 604 A HN 0.871 nan 8.150 nan 0.000 0.443 605 E N 2.070 122.243 120.200 -0.045 0.000 2.185 605 E HA 0.454 4.805 4.350 0.001 0.000 0.261 605 E C -1.427 175.108 176.600 -0.108 0.000 0.879 605 E CA -0.567 55.797 56.400 -0.061 0.000 0.756 605 E CB 1.903 31.579 29.700 -0.039 0.000 1.152 605 E HN 0.406 nan 8.360 nan 0.000 0.416 606 L N 2.601 123.748 121.223 -0.125 0.000 2.346 606 L HA 0.409 4.749 4.340 0.001 0.000 0.276 606 L C -0.156 176.674 176.870 -0.067 0.000 1.006 606 L CA -0.430 54.306 54.840 -0.173 0.000 0.817 606 L CB 1.742 43.633 42.059 -0.280 0.000 1.272 606 L HN 0.603 nan 8.230 nan 0.000 0.421 607 E N 3.866 124.033 120.200 -0.055 0.000 2.134 607 E HA 0.442 4.793 4.350 0.001 0.000 0.278 607 E C -0.766 175.837 176.600 0.005 0.000 0.959 607 E CA -0.426 55.970 56.400 -0.006 0.000 0.783 607 E CB 2.112 31.810 29.700 -0.003 0.000 1.095 607 E HN 0.399 nan 8.360 nan 0.000 0.399 608 I N 3.063 123.656 120.570 0.037 0.000 2.315 608 I HA 0.150 4.321 4.170 0.001 0.000 0.291 608 I C 0.019 176.150 176.117 0.024 0.000 1.006 608 I CA -0.330 60.996 61.300 0.042 0.000 1.265 608 I CB 1.106 39.154 38.000 0.080 0.000 1.387 608 I HN 0.358 nan 8.210 nan 0.000 0.475 609 Q N 6.284 126.094 119.800 0.017 0.000 2.331 609 Q HA 0.466 4.807 4.340 0.001 0.000 0.267 609 Q C -1.555 174.450 176.000 0.009 0.000 1.006 609 Q CA -0.809 54.999 55.803 0.008 0.000 0.818 609 Q CB 1.866 30.616 28.738 0.020 0.000 1.276 609 Q HN 0.582 nan 8.270 nan 0.000 0.450 610 Q N 1.575 121.371 119.800 -0.007 0.000 2.353 610 Q HA 0.499 4.839 4.340 0.001 0.000 0.268 610 Q C -1.372 174.688 176.000 0.100 0.000 1.045 610 Q CA -0.473 55.338 55.803 0.013 0.000 0.811 610 Q CB 2.638 31.334 28.738 -0.072 0.000 1.305 610 Q HN 0.450 nan 8.270 nan 0.000 0.447 611 T N 3.201 117.839 114.554 0.139 0.000 2.786 611 T HA 0.722 5.072 4.350 0.001 0.000 0.283 611 T C -1.082 173.796 174.700 0.297 0.000 0.992 611 T CA -0.628 61.589 62.100 0.194 0.000 0.954 611 T CB 0.038 68.966 68.868 0.100 0.000 0.934 611 T HN 0.517 nan 8.240 nan 0.000 0.440 612 F N 0.454 120.397 119.950 -0.012 0.000 2.601 612 F HA 0.862 5.390 4.527 0.001 0.000 0.309 612 F C -0.455 175.317 175.800 -0.047 0.000 1.089 612 F CA -1.780 56.221 58.000 0.003 0.000 0.940 612 F CB 1.141 40.170 39.000 0.048 0.000 1.273 612 F HN 0.561 nan 8.300 nan 0.000 0.450 613 A N 4.611 127.368 122.820 -0.104 0.000 2.362 613 A HA 0.683 5.004 4.320 0.001 0.000 0.276 613 A C -0.421 176.836 177.584 -0.546 0.000 1.153 613 A CA -0.536 51.336 52.037 -0.274 0.000 0.813 613 A CB -0.021 18.909 19.000 -0.117 0.000 1.081 613 A HN 0.938 nan 8.150 nan 0.000 0.507 614 I N -0.088 120.049 120.570 -0.722 0.000 2.892 614 I HA 0.671 4.842 4.170 0.001 0.000 0.306 614 I C -2.920 172.786 176.117 -0.685 0.000 1.078 614 I CA -3.225 57.482 61.300 -0.987 0.000 1.032 614 I CB 2.243 39.665 38.000 -0.963 0.000 1.229 614 I HN 0.231 nan 8.210 nan 0.000 0.435 615 P HA 0.059 nan 4.420 nan 0.000 0.264 615 P C 0.939 178.038 177.300 -0.335 0.000 1.183 615 P CA 0.137 63.018 63.100 -0.366 0.000 0.763 615 P CB 0.423 31.971 31.700 -0.253 0.000 0.807 616 I N 0.595 121.025 120.570 -0.233 0.000 2.676 616 I HA -0.041 4.130 4.170 0.001 0.000 0.259 616 I C 0.592 176.614 176.117 -0.159 0.000 1.194 616 I CA 0.765 61.945 61.300 -0.200 0.000 1.473 616 I CB -0.250 37.671 38.000 -0.132 0.000 1.096 616 I HN 0.330 nan 8.210 nan 0.000 0.443 617 S N -0.096 115.530 115.700 -0.123 0.000 2.683 617 S HA 0.774 5.245 4.470 0.001 0.000 0.269 617 S C -0.463 174.116 174.600 -0.036 0.000 1.165 617 S CA -0.511 57.653 58.200 -0.059 0.000 0.840 617 S CB 0.794 63.975 63.200 -0.031 0.000 1.169 617 S HN 0.399 nan 8.310 nan 0.000 0.490 618 A N 0.792 123.612 122.820 -0.001 0.000 2.272 618 A HA 0.630 4.951 4.320 0.001 0.000 0.275 618 A C 0.245 177.830 177.584 0.002 0.000 1.096 618 A CA 0.086 52.130 52.037 0.010 0.000 0.822 618 A CB -0.666 18.350 19.000 0.027 0.000 1.088 618 A HN 0.989 nan 8.150 nan 0.000 0.495 619 D N -0.159 120.244 120.400 0.005 0.000 2.380 619 D HA 0.374 5.015 4.640 0.001 0.000 0.254 619 D C 1.161 177.460 176.300 -0.003 0.000 1.288 619 D CA 0.340 54.340 54.000 -0.000 0.000 1.008 619 D CB 0.234 41.036 40.800 0.004 0.000 1.099 619 D HN 0.522 nan 8.370 nan 0.000 0.537 620 K N -0.594 119.802 120.400 -0.007 0.000 2.283 620 K HA -0.022 4.299 4.320 0.001 0.000 0.202 620 K C 1.982 178.571 176.600 -0.018 0.000 1.048 620 K CA 1.284 57.563 56.287 -0.012 0.000 0.948 620 K CB -1.063 31.429 32.500 -0.013 0.000 0.742 620 K HN 0.462 nan 8.250 nan 0.000 0.458 621 L N 0.112 121.326 121.223 -0.016 0.000 2.201 621 L HA 0.030 4.371 4.340 0.001 0.000 0.212 621 L C 2.277 179.129 176.870 -0.030 0.000 1.105 621 L CA 1.344 56.170 54.840 -0.023 0.000 0.775 621 L CB -0.374 41.674 42.059 -0.017 0.000 0.913 621 L HN 0.380 nan 8.230 nan 0.000 0.440 622 L N -0.456 120.756 121.223 -0.018 0.000 2.042 622 L HA -0.247 4.093 4.340 0.001 0.000 0.210 622 L C 2.550 179.397 176.870 -0.038 0.000 1.076 622 L CA 2.073 56.904 54.840 -0.016 0.000 0.749 622 L CB -0.865 41.199 42.059 0.009 0.000 0.893 622 L HN 0.448 nan 8.230 nan 0.000 0.432 623 Q N -0.188 119.587 119.800 -0.041 0.000 2.077 623 Q HA -0.203 4.138 4.340 0.001 0.000 0.206 623 Q C 2.182 178.091 176.000 -0.152 0.000 0.989 623 Q CA 2.470 58.227 55.803 -0.077 0.000 0.853 623 Q CB -0.609 28.100 28.738 -0.049 0.000 0.907 623 Q HN 0.624 nan 8.270 nan 0.000 0.418 624 A N 0.150 122.901 122.820 -0.115 0.000 1.933 624 A HA -0.214 4.106 4.320 0.001 0.000 0.218 624 A C 1.921 179.417 177.584 -0.146 0.000 1.175 624 A CA 1.721 53.681 52.037 -0.130 0.000 0.628 624 A CB -0.565 18.383 19.000 -0.086 0.000 0.814 624 A HN 0.570 nan 8.150 nan 0.000 0.444 625 E N -0.689 119.443 120.200 -0.113 0.000 2.107 625 E HA -0.119 4.232 4.350 0.001 0.000 0.191 625 E C 2.097 178.622 176.600 -0.126 0.000 0.982 625 E CA 1.165 57.505 56.400 -0.099 0.000 0.809 625 E CB -0.242 29.420 29.700 -0.062 0.000 0.756 625 E HN 0.649 nan 8.360 nan 0.000 0.459 626 M N 0.526 120.031 119.600 -0.159 0.000 2.099 626 M HA -0.155 4.326 4.480 0.001 0.000 0.262 626 M C 2.046 178.050 176.300 -0.493 0.000 1.067 626 M CA 1.445 56.626 55.300 -0.199 0.000 1.124 626 M CB -0.304 32.229 32.600 -0.110 0.000 1.353 626 M HN 0.054 nan 8.290 nan 0.000 0.410 627 E N 0.403 120.188 120.200 -0.691 0.000 2.153 627 E HA -0.142 4.209 4.350 0.001 0.000 0.194 627 E C 1.612 177.999 176.600 -0.356 0.000 0.988 627 E CA 1.204 57.154 56.400 -0.749 0.000 0.811 627 E CB -0.086 29.296 29.700 -0.529 0.000 0.746 627 E HN 0.480 nan 8.360 nan 0.000 0.466 628 A N 0.434 123.113 122.820 -0.236 0.000 2.307 628 A HA 0.169 4.490 4.320 0.001 0.000 0.218 628 A C 0.923 178.443 177.584 -0.107 0.000 1.228 628 A CA -0.120 51.831 52.037 -0.143 0.000 0.857 628 A CB 0.213 19.146 19.000 -0.111 0.000 0.897 628 A HN 0.060 nan 8.150 nan 0.000 0.495 629 V N 0.356 120.204 119.914 -0.110 0.000 5.616 629 V HA -0.213 3.908 4.120 0.001 0.000 0.301 629 V C -0.013 176.053 176.094 -0.046 0.000 0.564 629 V CA 0.497 62.763 62.300 -0.056 0.000 0.653 629 V CB -2.273 29.522 31.823 -0.045 0.000 0.372 629 V HN 0.512 nan 8.190 nan 0.000 1.029 630 I N 1.158 121.695 120.570 -0.056 0.000 2.556 630 I HA 0.199 4.370 4.170 0.001 0.000 0.284 630 I C 0.967 177.060 176.117 -0.041 0.000 1.114 630 I CA 0.088 61.356 61.300 -0.053 0.000 1.418 630 I CB 0.607 38.571 38.000 -0.060 0.000 1.394 630 I HN 0.514 nan 8.210 nan 0.000 0.552 631 D N 4.320 124.692 120.400 -0.046 0.000 2.472 631 D HA -0.011 4.630 4.640 0.001 0.000 0.237 631 D C 1.526 177.782 176.300 -0.075 0.000 1.141 631 D CA -0.182 53.794 54.000 -0.040 0.000 0.875 631 D CB 0.890 41.664 40.800 -0.045 0.000 1.192 631 D HN 0.474 nan 8.370 nan 0.000 0.450 632 I N 1.033 121.565 120.570 -0.064 0.000 2.335 632 I HA -0.195 3.976 4.170 0.001 0.000 0.251 632 I C 1.999 177.960 176.117 -0.259 0.000 1.129 632 I CA 1.789 63.024 61.300 -0.108 0.000 1.402 632 I CB -1.411 36.561 38.000 -0.047 0.000 1.069 632 I HN 0.522 nan 8.210 nan 0.000 0.424 633 T N -2.105 112.193 114.554 -0.427 0.000 3.035 633 T HA 0.036 4.387 4.350 0.001 0.000 0.268 633 T C 1.446 175.943 174.700 -0.337 0.000 1.109 633 T CA 0.933 62.652 62.100 -0.635 0.000 1.119 633 T CB -0.366 67.956 68.868 -0.911 0.000 0.900 633 T HN 0.470 nan 8.240 nan 0.000 0.503 634 E N 0.758 120.830 120.200 -0.213 0.000 2.481 634 E HA 0.203 4.554 4.350 0.001 0.000 0.198 634 E C 0.469 177.009 176.600 -0.100 0.000 1.027 634 E CA -0.100 56.218 56.400 -0.137 0.000 0.900 634 E CB 0.253 29.890 29.700 -0.106 0.000 0.993 634 E HN 0.588 nan 8.360 nan 0.000 0.482 635 R N 1.465 121.905 120.500 -0.100 0.000 2.442 635 R HA 0.118 4.459 4.340 0.001 0.000 0.291 635 R C 1.066 177.338 176.300 -0.047 0.000 1.069 635 R CA 0.223 56.285 56.100 -0.064 0.000 1.022 635 R CB 0.612 30.882 30.300 -0.050 0.000 0.976 635 R HN -0.010 nan 8.270 nan 0.000 0.443 636 Q N 0.930 120.711 119.800 -0.032 0.000 2.247 636 Q HA 0.148 4.489 4.340 0.001 0.000 0.211 636 Q C 0.206 176.206 176.000 -0.001 0.000 0.861 636 Q CA -0.043 55.751 55.803 -0.016 0.000 0.949 636 Q CB 0.975 29.705 28.738 -0.013 0.000 1.115 636 Q HN 0.659 nan 8.270 nan 0.000 0.507 637 A N 1.711 124.528 122.820 -0.004 0.000 2.531 637 A HA 0.228 4.549 4.320 0.001 0.000 0.236 637 A C 0.228 177.824 177.584 0.020 0.000 1.062 637 A CA 0.338 52.378 52.037 0.006 0.000 0.760 637 A CB 0.268 19.270 19.000 0.004 0.000 0.995 637 A HN 0.173 nan 8.150 nan 0.000 0.501 638 R N 0.212 120.728 120.500 0.027 0.000 3.029 638 R HA 0.516 4.856 4.340 0.001 0.000 0.239 638 R C -0.175 176.148 176.300 0.039 0.000 1.351 638 R CA -0.977 55.148 56.100 0.042 0.000 1.052 638 R CB 1.026 31.357 30.300 0.052 0.000 1.354 638 R HN 0.817 nan 8.270 nan 0.000 0.499 639 R N 0.327 120.858 120.500 0.051 0.000 2.615 639 R HA 0.184 4.525 4.340 0.001 0.000 0.270 639 R C -0.048 176.262 176.300 0.017 0.000 1.081 639 R CA -0.294 55.827 56.100 0.035 0.000 1.154 639 R CB 0.702 31.036 30.300 0.057 0.000 1.063 639 R HN 0.686 nan 8.270 nan 0.000 0.519 640 S N 1.003 116.694 115.700 -0.014 0.000 2.579 640 S HA -0.015 4.456 4.470 0.001 0.000 0.275 640 S C 1.004 175.593 174.600 -0.018 0.000 1.345 640 S CA -0.709 57.478 58.200 -0.021 0.000 1.031 640 S CB 1.199 64.374 63.200 -0.042 0.000 0.892 640 S HN 0.501 nan 8.310 nan 0.000 0.529 641 Q N 0.913 120.707 119.800 -0.010 0.000 2.084 641 Q HA -0.030 4.311 4.340 0.001 0.000 0.202 641 Q C 0.715 176.699 176.000 -0.026 0.000 0.978 641 Q CA 1.147 56.947 55.803 -0.004 0.000 0.844 641 Q CB -0.424 28.313 28.738 -0.001 0.000 0.898 641 Q HN 0.937 nan 8.270 nan 0.000 0.426 642 E N 1.343 121.518 120.200 -0.042 0.000 2.384 642 E HA 0.080 4.431 4.350 0.001 0.000 0.266 642 E C -0.770 175.769 176.600 -0.102 0.000 1.012 642 E CA 0.203 56.567 56.400 -0.059 0.000 0.901 642 E CB 0.523 30.191 29.700 -0.053 0.000 0.967 642 E HN -0.035 nan 8.360 nan 0.000 0.435 643 K N 1.626 121.957 120.400 -0.114 0.000 2.350 643 K HA 0.756 5.076 4.320 0.001 0.000 0.241 643 K C -1.234 175.268 176.600 -0.162 0.000 0.994 643 K CA -0.942 55.237 56.287 -0.181 0.000 0.839 643 K CB 2.149 34.535 32.500 -0.191 0.000 1.244 643 K HN 0.500 nan 8.250 nan 0.000 0.443 644 A N 0.985 123.677 122.820 -0.213 0.000 2.556 644 A HA 0.381 4.701 4.320 0.001 0.000 0.294 644 A C -1.243 176.210 177.584 -0.219 0.000 1.091 644 A CA -0.815 51.117 52.037 -0.175 0.000 0.704 644 A CB 1.061 19.973 19.000 -0.148 0.000 1.300 644 A HN 0.616 nan 8.150 nan 0.000 0.406 645 E N 0.713 120.822 120.200 -0.152 0.000 2.299 645 E HA 0.219 4.570 4.350 0.001 0.000 0.272 645 E C -1.182 175.319 176.600 -0.165 0.000 1.043 645 E CA -0.119 56.196 56.400 -0.142 0.000 0.895 645 E CB 1.227 30.891 29.700 -0.061 0.000 1.011 645 E HN 0.420 nan 8.360 nan 0.000 0.432 646 L N 3.344 124.415 121.223 -0.254 0.000 2.287 646 L HA 0.269 4.610 4.340 0.001 0.000 0.287 646 L C -0.514 176.355 176.870 -0.001 0.000 1.022 646 L CA -0.165 54.558 54.840 -0.196 0.000 0.814 646 L CB 1.715 43.523 42.059 -0.418 0.000 1.217 646 L HN 0.222 nan 8.230 nan 0.000 0.420 647 T N 6.683 121.272 114.554 0.058 0.000 2.743 647 T HA 0.547 4.897 4.350 0.001 0.000 0.292 647 T C -0.196 174.580 174.700 0.126 0.000 0.972 647 T CA -0.239 61.922 62.100 0.103 0.000 0.967 647 T CB 0.370 69.282 68.868 0.074 0.000 0.926 647 T HN 0.423 nan 8.240 nan 0.000 0.459 648 L N 3.354 124.628 121.223 0.086 0.000 2.307 648 L HA 0.575 4.916 4.340 0.001 0.000 0.284 648 L C 0.267 177.125 176.870 -0.020 0.000 1.023 648 L CA -0.782 54.069 54.840 0.017 0.000 0.810 648 L CB 1.455 43.372 42.059 -0.236 0.000 1.231 648 L HN 0.526 nan 8.230 nan 0.000 0.423 649 T N 0.757 115.326 114.554 0.026 0.000 2.809 649 T HA 0.412 4.763 4.350 0.001 0.000 0.284 649 T C -0.248 174.469 174.700 0.028 0.000 0.992 649 T CA -0.459 61.650 62.100 0.016 0.000 0.957 649 T CB 1.583 70.472 68.868 0.035 0.000 0.942 649 T HN 0.468 nan 8.240 nan 0.000 0.439 650 T N 3.824 118.399 114.554 0.034 0.000 2.791 650 T HA 0.449 4.799 4.350 0.001 0.000 0.288 650 T C -0.299 174.473 174.700 0.119 0.000 0.999 650 T CA -0.548 61.620 62.100 0.114 0.000 0.952 650 T CB 0.753 69.744 68.868 0.206 0.000 0.938 650 T HN 0.434 nan 8.240 nan 0.000 0.444 651 L N 5.335 126.619 121.223 0.101 0.000 2.278 651 L HA 0.549 4.890 4.340 0.001 0.000 0.287 651 L C -0.763 176.162 176.870 0.091 0.000 1.072 651 L CA -0.523 54.356 54.840 0.064 0.000 0.819 651 L CB 0.193 42.265 42.059 0.022 0.000 1.176 651 L HN 0.614 nan 8.230 nan 0.000 0.435 652 I N 5.807 126.426 120.570 0.082 0.000 2.315 652 I HA 0.381 4.551 4.170 0.001 0.000 0.291 652 I C 0.055 176.135 176.117 -0.063 0.000 1.006 652 I CA -0.304 61.016 61.300 0.034 0.000 1.265 652 I CB 1.150 39.221 38.000 0.117 0.000 1.387 652 I HN 0.571 nan 8.210 nan 0.000 0.475 653 R N 7.904 128.324 120.500 -0.134 0.000 2.310 653 R HA 0.561 4.901 4.340 0.001 0.000 0.324 653 R C -1.053 175.182 176.300 -0.109 0.000 0.955 653 R CA -0.622 55.419 56.100 -0.099 0.000 0.830 653 R CB 1.316 31.565 30.300 -0.084 0.000 1.154 653 R HN 0.684 nan 8.270 nan 0.000 0.458 654 M N 3.797 123.366 119.600 -0.051 0.000 2.336 654 M HA 0.340 4.821 4.480 0.001 0.000 0.342 654 M C -1.145 175.160 176.300 0.009 0.000 1.128 654 M CA -0.239 55.051 55.300 -0.018 0.000 1.016 654 M CB 1.570 34.185 32.600 0.025 0.000 1.665 654 M HN 0.586 nan 8.290 nan 0.000 0.445 655 E N 2.907 123.119 120.200 0.021 0.000 2.207 655 E HA 0.210 4.560 4.350 0.001 0.000 0.270 655 E C -0.056 176.590 176.600 0.077 0.000 0.927 655 E CA -0.545 55.879 56.400 0.041 0.000 0.799 655 E CB 2.396 32.115 29.700 0.031 0.000 1.172 655 E HN 0.706 nan 8.360 nan 0.000 0.404 656 K N 2.034 122.478 120.400 0.074 0.000 2.032 656 K HA -0.244 4.076 4.320 0.001 0.000 0.218 656 K C 0.978 177.654 176.600 0.128 0.000 1.054 656 K CA 1.902 58.238 56.287 0.081 0.000 0.941 656 K CB 0.009 32.544 32.500 0.057 0.000 0.720 656 K HN 0.279 nan 8.250 nan 0.000 0.449 657 N N 0.936 119.722 118.700 0.143 0.000 2.453 657 N HA 0.037 4.777 4.740 0.001 0.000 0.270 657 N C -1.547 174.133 175.510 0.283 0.000 1.195 657 N CA -0.285 52.905 53.050 0.232 0.000 0.902 657 N CB 0.026 38.605 38.487 0.153 0.000 1.186 657 N HN 0.161 nan 8.380 nan 0.000 0.510 658 N N 0.355 119.188 118.700 0.222 0.000 2.442 658 N HA 0.361 5.101 4.740 0.001 0.000 0.274 658 N C -2.182 173.251 175.510 -0.129 0.000 1.002 658 N CA -1.897 51.160 53.050 0.013 0.000 0.910 658 N CB 2.229 40.714 38.487 -0.003 0.000 1.244 658 N HN 0.034 nan 8.380 nan 0.000 0.492 659 P HA 0.019 nan 4.420 nan 0.000 0.236 659 P C -0.027 177.074 177.300 -0.331 0.000 1.177 659 P CA 0.379 63.020 63.100 -0.764 0.000 0.773 659 P CB 0.698 31.657 31.700 -1.235 0.000 0.878 660 R N 0.663 121.006 120.500 -0.262 0.000 2.229 660 R HA 0.372 4.712 4.340 0.001 0.000 0.328 660 R C -0.755 175.462 176.300 -0.139 0.000 1.009 660 R CA -0.835 55.148 56.100 -0.195 0.000 0.864 660 R CB 0.264 30.442 30.300 -0.203 0.000 1.085 660 R HN -0.052 nan 8.270 nan 0.000 0.453 661 L N 4.181 125.331 121.223 -0.120 0.000 2.276 661 L HA 0.242 4.583 4.340 0.001 0.000 0.286 661 L C -0.642 175.909 176.870 -0.531 0.000 1.061 661 L CA 0.319 55.003 54.840 -0.260 0.000 0.807 661 L CB 1.470 43.417 42.059 -0.186 0.000 1.177 661 L HN 0.612 nan 8.230 nan 0.000 0.429 662 Q N 4.452 123.947 119.800 -0.509 0.000 2.256 662 Q HA 0.500 4.841 4.340 0.001 0.000 0.257 662 Q C -1.506 174.120 176.000 -0.624 0.000 0.936 662 Q CA -0.333 55.195 55.803 -0.458 0.000 0.903 662 Q CB 1.774 30.385 28.738 -0.211 0.000 1.263 662 Q HN 0.455 nan 8.270 nan 0.000 0.440 663 F N 0.283 120.090 119.950 -0.238 0.000 2.520 663 F HA 0.466 4.994 4.527 0.001 0.000 0.322 663 F C -0.039 175.522 175.800 -0.398 0.000 1.103 663 F CA -0.713 57.055 58.000 -0.388 0.000 0.926 663 F CB 2.342 40.846 39.000 -0.827 0.000 1.154 663 F HN 0.247 nan 8.300 nan 0.000 0.453 664 T N 1.296 115.856 114.554 0.010 0.000 2.965 664 T HA 0.389 4.740 4.350 0.001 0.000 0.306 664 T C -0.557 174.229 174.700 0.145 0.000 0.991 664 T CA -0.668 61.463 62.100 0.052 0.000 1.001 664 T CB 1.233 70.113 68.868 0.019 0.000 0.984 664 T HN 0.455 nan 8.240 nan 0.000 0.446 665 T N 4.833 119.549 114.554 0.270 0.000 2.767 665 T HA 0.565 4.916 4.350 0.001 0.000 0.284 665 T C 0.214 175.032 174.700 0.197 0.000 0.973 665 T CA -0.854 61.416 62.100 0.283 0.000 0.996 665 T CB 0.601 69.747 68.868 0.463 0.000 0.927 665 T HN 0.653 nan 8.240 nan 0.000 0.456 666 R N 2.077 122.657 120.500 0.133 0.000 2.807 666 R HA 0.864 5.204 4.340 0.001 0.000 0.276 666 R C -1.279 175.100 176.300 0.131 0.000 0.979 666 R CA -0.948 55.148 56.100 -0.008 0.000 0.928 666 R CB 1.601 31.883 30.300 -0.029 0.000 1.191 666 R HN 0.591 nan 8.270 nan 0.000 0.471 667 F N -1.820 118.174 119.950 0.074 0.000 2.842 667 F HA 0.378 4.905 4.527 0.001 0.000 0.319 667 F C -1.961 173.892 175.800 0.088 0.000 1.159 667 F CA -1.407 56.633 58.000 0.067 0.000 0.902 667 F CB 1.133 40.177 39.000 0.074 0.000 1.311 667 F HN 0.471 nan 8.300 nan 0.000 0.453 668 D N 1.641 122.227 120.400 0.310 0.000 2.460 668 D HA 0.217 4.858 4.640 0.001 0.000 0.232 668 D C -1.176 175.325 176.300 0.335 0.000 1.079 668 D CA -0.207 53.915 54.000 0.204 0.000 0.864 668 D CB 0.772 41.627 40.800 0.091 0.000 1.048 668 D HN 0.684 nan 8.370 nan 0.000 0.523 669 N N 2.899 121.883 118.700 0.472 0.000 2.431 669 N HA 0.043 4.784 4.740 0.001 0.000 0.265 669 N C -0.226 175.420 175.510 0.226 0.000 1.184 669 N CA 0.248 53.553 53.050 0.426 0.000 0.943 669 N CB 0.568 39.394 38.487 0.565 0.000 1.080 669 N HN 0.249 nan 8.380 nan 0.000 0.477 670 Q N 2.876 122.751 119.800 0.126 0.000 2.129 670 Q HA 0.264 4.605 4.340 0.001 0.000 0.274 670 Q C -0.946 175.051 176.000 -0.004 0.000 0.854 670 Q CA -0.074 55.762 55.803 0.055 0.000 1.123 670 Q CB 0.188 28.938 28.738 0.020 0.000 1.226 670 Q HN 0.643 nan 8.270 nan 0.000 0.454 671 M N 0.137 119.737 119.600 -0.001 0.000 2.518 671 M HA 0.424 4.905 4.480 0.001 0.000 0.300 671 M C -0.062 176.253 176.300 0.025 0.000 1.175 671 M CA -0.395 54.817 55.300 -0.146 0.000 0.890 671 M CB 2.288 34.571 32.600 -0.528 0.000 1.710 671 M HN -0.022 nan 8.290 nan 0.000 0.453 672 T N -1.946 112.620 114.554 0.020 0.000 2.940 672 T HA 0.655 5.005 4.350 0.001 0.000 0.288 672 T C -0.143 174.662 174.700 0.176 0.000 1.033 672 T CA -0.910 61.276 62.100 0.143 0.000 1.033 672 T CB 0.788 69.705 68.868 0.082 0.000 1.079 672 T HN 0.769 nan 8.240 nan 0.000 0.496 673 N N 1.207 120.021 118.700 0.189 0.000 2.696 673 N HA -0.176 4.564 4.740 0.001 0.000 0.256 673 N C -0.566 175.065 175.510 0.202 0.000 1.031 673 N CA 1.406 54.545 53.050 0.148 0.000 0.730 673 N CB -1.655 36.889 38.487 0.095 0.000 0.894 673 N HN 1.103 nan 8.380 nan 0.000 0.544 674 H N -2.336 116.742 119.070 0.013 0.000 2.966 674 H HA 0.726 5.283 4.556 0.001 0.000 0.330 674 H C -0.753 174.581 175.328 0.010 0.000 1.292 674 H CA -1.398 54.651 56.048 0.001 0.000 1.127 674 H CB 1.487 31.225 29.762 -0.040 0.000 1.863 674 H HN 0.153 nan 8.280 nan 0.000 0.543 675 R N 1.795 122.254 120.500 -0.068 0.000 2.538 675 R HA 0.475 4.815 4.340 0.001 0.000 0.292 675 R C -2.032 174.233 176.300 -0.058 0.000 1.008 675 R CA -1.076 54.955 56.100 -0.115 0.000 0.896 675 R CB 1.840 32.125 30.300 -0.026 0.000 1.187 675 R HN 0.643 nan 8.270 nan 0.000 0.440 676 L N 4.303 125.468 121.223 -0.095 0.000 2.313 676 L HA 0.577 4.918 4.340 0.001 0.000 0.283 676 L C -0.865 176.021 176.870 0.026 0.000 1.013 676 L CA -0.169 54.666 54.840 -0.007 0.000 0.816 676 L CB 1.289 43.297 42.059 -0.084 0.000 1.236 676 L HN 0.635 nan 8.230 nan 0.000 0.419 677 R N 3.260 123.793 120.500 0.054 0.000 2.854 677 R HA 0.720 5.061 4.340 0.001 0.000 0.271 677 R C -1.622 174.660 176.300 -0.030 0.000 0.994 677 R CA -1.070 55.036 56.100 0.010 0.000 0.945 677 R CB 2.481 32.774 30.300 -0.011 0.000 1.194 677 R HN 0.434 nan 8.270 nan 0.000 0.476 678 V N 3.941 123.754 119.914 -0.169 0.000 2.459 678 V HA 0.520 4.641 4.120 0.001 0.000 0.295 678 V C -0.927 174.899 176.094 -0.446 0.000 1.029 678 V CA -0.664 61.344 62.300 -0.486 0.000 0.874 678 V CB 1.431 32.849 31.823 -0.676 0.000 0.985 678 V HN 0.499 nan 8.190 nan 0.000 0.438 679 L N 6.624 127.480 121.223 -0.612 0.000 2.346 679 L HA 0.608 4.948 4.340 0.001 0.000 0.276 679 L C -1.332 175.147 176.870 -0.651 0.000 1.006 679 L CA -0.410 54.180 54.840 -0.417 0.000 0.817 679 L CB 1.965 43.859 42.059 -0.275 0.000 1.272 679 L HN 0.573 nan 8.230 nan 0.000 0.421 680 F N 3.344 123.196 119.950 -0.162 0.000 2.564 680 F HA 0.315 4.843 4.527 0.001 0.000 0.368 680 F C -2.125 173.606 175.800 -0.114 0.000 1.127 680 F CA -2.026 55.900 58.000 -0.123 0.000 1.170 680 F CB 1.251 40.222 39.000 -0.048 0.000 1.397 680 F HN 0.201 nan 8.300 nan 0.000 0.493 681 P HA 0.088 nan 4.420 nan 0.000 0.276 681 P C 0.644 177.934 177.300 -0.018 0.000 1.253 681 P CA 0.046 63.078 63.100 -0.113 0.000 0.766 681 P CB 1.520 33.124 31.700 -0.159 0.000 0.845 682 T N -1.061 113.462 114.554 -0.051 0.000 3.034 682 T HA -0.035 4.316 4.350 0.001 0.000 0.248 682 T C 0.922 175.793 174.700 0.285 0.000 1.040 682 T CA 0.247 62.459 62.100 0.187 0.000 1.107 682 T CB -0.878 68.054 68.868 0.106 0.000 0.932 682 T HN 0.523 nan 8.240 nan 0.000 0.474 683 H N 0.978 120.123 119.070 0.126 0.000 2.884 683 H HA -0.109 4.447 4.556 0.001 0.000 0.289 683 H C -0.227 175.140 175.328 0.066 0.000 1.142 683 H CA 0.660 56.752 56.048 0.073 0.000 1.158 683 H CB -2.355 27.438 29.762 0.052 0.000 1.325 683 H HN 0.441 nan 8.280 nan 0.000 0.366 684 L N 1.056 122.363 121.223 0.140 0.000 2.426 684 L HA 0.062 4.403 4.340 0.001 0.000 0.271 684 L C 1.040 177.931 176.870 0.036 0.000 1.169 684 L CA 0.349 55.241 54.840 0.088 0.000 0.836 684 L CB 0.495 42.594 42.059 0.067 0.000 1.112 684 L HN -0.001 nan 8.230 nan 0.000 0.465 685 K N 2.122 122.530 120.400 0.013 0.000 2.206 685 K HA 0.314 4.634 4.320 0.001 0.000 0.268 685 K C -0.413 176.179 176.600 -0.013 0.000 1.111 685 K CA -0.065 56.227 56.287 0.008 0.000 0.955 685 K CB 0.710 33.214 32.500 0.007 0.000 1.406 685 K HN 0.493 nan 8.250 nan 0.000 0.427 686 T N 0.351 114.900 114.554 -0.010 0.000 3.047 686 T HA 0.123 4.474 4.350 0.001 0.000 0.340 686 T C -0.753 173.956 174.700 0.016 0.000 1.421 686 T CA -0.726 61.360 62.100 -0.023 0.000 1.090 686 T CB 1.144 69.920 68.868 -0.153 0.000 1.292 686 T HN 0.360 nan 8.240 nan 0.000 0.480 687 D N 1.676 122.133 120.400 0.095 0.000 2.349 687 D HA 0.111 4.752 4.640 0.001 0.000 0.214 687 D C 0.632 177.043 176.300 0.185 0.000 1.063 687 D CA 0.372 54.463 54.000 0.151 0.000 0.847 687 D CB 0.189 41.093 40.800 0.173 0.000 0.933 687 D HN 0.710 nan 8.370 nan 0.000 0.513 688 H N -0.826 118.299 119.070 0.091 0.000 2.907 688 H HA 0.429 4.986 4.556 0.001 0.000 0.361 688 H C -0.564 174.840 175.328 0.126 0.000 1.194 688 H CA -0.610 55.481 56.048 0.072 0.000 1.152 688 H CB 1.694 31.473 29.762 0.028 0.000 1.867 688 H HN 0.001 nan 8.280 nan 0.000 0.561 689 H N 0.191 119.293 119.070 0.054 0.000 2.977 689 H HA 0.556 5.113 4.556 0.001 0.000 0.350 689 H C -1.561 173.833 175.328 0.110 0.000 1.238 689 H CA -1.164 54.876 56.048 -0.014 0.000 1.124 689 H CB 2.001 31.736 29.762 -0.045 0.000 1.866 689 H HN 0.475 nan 8.280 nan 0.000 0.550 690 L N 1.258 122.544 121.223 0.105 0.000 2.356 690 L HA 0.704 5.045 4.340 0.001 0.000 0.277 690 L C -0.297 176.552 176.870 -0.035 0.000 0.996 690 L CA -0.881 53.978 54.840 0.031 0.000 0.822 690 L CB 1.856 43.960 42.059 0.075 0.000 1.256 690 L HN 0.829 nan 8.230 nan 0.000 0.413 691 A N 1.329 124.084 122.820 -0.109 0.000 2.365 691 A HA 0.527 4.848 4.320 0.001 0.000 0.318 691 A C -1.067 176.255 177.584 -0.436 0.000 1.091 691 A CA -0.566 51.314 52.037 -0.262 0.000 0.763 691 A CB 1.410 20.367 19.000 -0.072 0.000 1.248 691 A HN 0.668 nan 8.150 nan 0.000 0.442 692 D N 1.208 121.070 120.400 -0.897 0.000 2.358 692 D HA 0.419 5.060 4.640 0.001 0.000 0.258 692 D C 0.300 176.383 176.300 -0.361 0.000 1.223 692 D CA 1.179 54.623 54.000 -0.927 0.000 0.886 692 D CB 0.624 40.538 40.800 -1.477 0.000 1.120 692 D HN 0.412 nan 8.370 nan 0.000 0.482 693 S N 2.829 118.415 115.700 -0.190 0.000 2.841 693 S HA 0.509 4.980 4.470 0.001 0.000 0.318 693 S C -0.539 173.999 174.600 -0.103 0.000 1.127 693 S CA -0.885 57.285 58.200 -0.050 0.000 0.883 693 S CB 0.470 63.700 63.200 0.048 0.000 1.271 693 S HN 0.311 nan 8.310 nan 0.000 0.567 694 I N 3.318 123.847 120.570 -0.068 0.000 2.576 694 I HA 0.174 4.345 4.170 0.001 0.000 0.288 694 I C -0.102 175.892 176.117 -0.205 0.000 1.126 694 I CA 0.598 61.773 61.300 -0.208 0.000 1.362 694 I CB -1.844 36.067 38.000 -0.148 0.000 1.419 694 I HN 0.713 nan 8.210 nan 0.000 0.533 695 F N 3.522 123.191 119.950 -0.467 0.000 3.097 695 F HA -0.288 4.240 4.527 0.001 0.000 0.278 695 F C 0.750 176.171 175.800 -0.632 0.000 0.917 695 F CA 1.105 58.512 58.000 -0.988 0.000 0.962 695 F CB -1.584 37.034 39.000 -0.637 0.000 0.964 695 F HN 0.718 nan 8.300 nan 0.000 0.668 696 E N -2.820 117.301 120.200 -0.132 0.000 2.378 696 E HA 0.501 4.852 4.350 0.001 0.000 0.283 696 E C -0.930 175.765 176.600 0.158 0.000 0.979 696 E CA -1.092 55.398 56.400 0.150 0.000 0.795 696 E CB 1.391 31.149 29.700 0.097 0.000 1.221 696 E HN -0.075 nan 8.360 nan 0.000 0.428 697 T N 2.039 116.739 114.554 0.242 0.000 2.992 697 T HA 0.215 4.566 4.350 0.001 0.000 0.299 697 T C -0.179 174.578 174.700 0.095 0.000 1.027 697 T CA -0.458 61.726 62.100 0.140 0.000 1.001 697 T CB 0.454 69.470 68.868 0.246 0.000 1.005 697 T HN 0.383 nan 8.240 nan 0.000 0.599 698 V N 3.941 123.871 119.914 0.028 0.000 2.583 698 V HA 0.369 4.490 4.120 0.001 0.000 0.287 698 V C 0.300 176.392 176.094 -0.004 0.000 1.051 698 V CA -0.630 61.688 62.300 0.029 0.000 1.010 698 V CB 1.091 32.931 31.823 0.029 0.000 0.988 698 V HN 0.724 nan 8.190 nan 0.000 0.478 699 K N 6.298 126.700 120.400 0.003 0.000 2.201 699 K HA 0.576 4.897 4.320 0.001 0.000 0.278 699 K C -0.443 176.104 176.600 -0.088 0.000 1.027 699 K CA -0.466 55.805 56.287 -0.027 0.000 0.909 699 K CB 0.668 33.154 32.500 -0.022 0.000 1.062 699 K HN 0.767 nan 8.250 nan 0.000 0.465 700 R N 3.816 124.174 120.500 -0.237 0.000 2.771 700 R HA 0.411 4.752 4.340 0.001 0.000 0.274 700 R C -2.594 173.589 176.300 -0.195 0.000 0.987 700 R CA -2.167 53.778 56.100 -0.259 0.000 0.908 700 R CB 1.961 32.034 30.300 -0.378 0.000 1.213 700 R HN 0.526 nan 8.270 nan 0.000 0.468 701 P HA 0.058 nan 4.420 nan 0.000 0.272 701 P C -0.610 176.782 177.300 0.154 0.000 1.223 701 P CA -0.237 62.912 63.100 0.082 0.000 0.784 701 P CB 0.783 32.526 31.700 0.071 0.000 0.923 702 N N -0.109 118.689 118.700 0.163 0.000 2.446 702 N HA -0.039 4.701 4.740 0.001 0.000 0.179 702 N C 0.061 175.458 175.510 -0.188 0.000 1.054 702 N CA 0.875 53.951 53.050 0.044 0.000 0.905 702 N CB -0.468 37.993 38.487 -0.042 0.000 0.973 702 N HN 0.594 nan 8.380 nan 0.000 0.448 703 H N -0.048 119.008 119.070 -0.023 0.000 2.469 703 H HA 0.350 4.907 4.556 0.001 0.000 0.342 703 H C -1.851 173.372 175.328 -0.175 0.000 1.115 703 H CA -1.578 54.415 56.048 -0.091 0.000 1.204 703 H CB 1.418 31.151 29.762 -0.048 0.000 1.492 703 H HN 0.030 nan 8.280 nan 0.000 0.499 704 P HA -0.027 nan 4.420 nan 0.000 0.277 704 P C -0.266 176.937 177.300 -0.161 0.000 1.276 704 P CA -0.404 62.400 63.100 -0.493 0.000 0.788 704 P CB 0.859 31.731 31.700 -1.380 0.000 1.114 705 D N -0.340 120.035 120.400 -0.043 0.000 2.374 705 D HA 0.219 4.860 4.640 0.001 0.000 0.240 705 D C 1.128 177.569 176.300 0.234 0.000 1.229 705 D CA -0.225 53.874 54.000 0.165 0.000 0.895 705 D CB 0.348 41.339 40.800 0.318 0.000 1.046 705 D HN 0.278 nan 8.370 nan 0.000 0.498 706 A N 3.180 126.078 122.820 0.130 0.000 2.125 706 A HA -0.118 4.203 4.320 0.001 0.000 0.219 706 A C 2.049 179.665 177.584 0.053 0.000 1.156 706 A CA 1.155 53.259 52.037 0.110 0.000 0.671 706 A CB -0.241 18.787 19.000 0.047 0.000 0.794 706 A HN 0.582 nan 8.150 nan 0.000 0.459 707 T N -0.966 113.581 114.554 -0.012 0.000 2.788 707 T HA -0.074 4.277 4.350 0.001 0.000 0.268 707 T C 1.140 175.597 174.700 -0.405 0.000 1.044 707 T CA 1.755 63.689 62.100 -0.277 0.000 1.139 707 T CB -0.317 68.268 68.868 -0.473 0.000 0.867 707 T HN 0.561 nan 8.240 nan 0.000 0.454 708 F N -1.891 118.147 119.950 0.146 0.000 2.667 708 F HA 0.349 4.877 4.527 0.001 0.000 0.288 708 F C 0.785 176.692 175.800 0.177 0.000 1.086 708 F CA -1.342 56.749 58.000 0.153 0.000 1.297 708 F CB 0.158 39.261 39.000 0.172 0.000 1.059 708 F HN 0.134 nan 8.300 nan 0.000 0.624 709 W N 3.638 125.047 121.300 0.181 0.000 2.266 709 W HA 0.137 4.798 4.660 0.001 0.000 0.317 709 W C 0.426 176.958 176.519 0.021 0.000 1.310 709 W CA 0.062 57.450 57.345 0.071 0.000 1.207 709 W CB 0.878 30.357 29.460 0.032 0.000 1.199 709 W HN -0.039 nan 8.180 nan 0.000 0.544 710 K N 3.140 123.403 120.400 -0.227 0.000 2.424 710 K HA -0.027 4.294 4.320 0.001 0.000 0.198 710 K C 0.504 176.929 176.600 -0.293 0.000 1.190 710 K CA 0.004 56.231 56.287 -0.099 0.000 0.935 710 K CB -0.544 32.001 32.500 0.076 0.000 1.087 710 K HN 0.353 nan 8.250 nan 0.000 0.524 711 N N 4.328 122.416 118.700 -1.021 0.000 2.359 711 N HA -0.040 4.701 4.740 0.001 0.000 0.261 711 N C -1.679 173.597 175.510 -0.390 0.000 1.267 711 N CA -0.902 51.345 53.050 -1.338 0.000 0.864 711 N CB 1.015 38.447 38.487 -1.758 0.000 1.063 711 N HN -0.075 nan 8.380 nan 0.000 0.474 712 P HA -0.051 nan 4.420 nan 0.000 0.222 712 P C -0.262 177.034 177.300 -0.006 0.000 1.147 712 P CA 0.858 63.940 63.100 -0.031 0.000 0.790 712 P CB 0.297 31.998 31.700 0.002 0.000 0.780 713 S N 0.120 115.775 115.700 -0.074 0.000 2.651 713 S HA 0.392 4.862 4.470 0.001 0.000 0.291 713 S C 0.197 174.861 174.600 0.105 0.000 1.141 713 S CA -0.430 57.754 58.200 -0.026 0.000 1.027 713 S CB 0.914 64.067 63.200 -0.079 0.000 1.043 713 S HN -0.020 nan 8.310 nan 0.000 0.530 714 N N 1.979 120.675 118.700 -0.006 0.000 2.765 714 N HA 0.302 5.043 4.740 0.001 0.000 0.277 714 N C -2.962 172.450 175.510 -0.163 0.000 1.750 714 N CA -1.766 51.251 53.050 -0.057 0.000 0.827 714 N CB 0.611 38.901 38.487 -0.329 0.000 1.200 714 N HN 0.249 nan 8.380 nan 0.000 0.494 715 P HA 0.107 nan 4.420 nan 0.000 0.268 715 P C -0.741 176.330 177.300 -0.383 0.000 1.204 715 P CA 0.154 63.092 63.100 -0.270 0.000 0.768 715 P CB 1.057 32.640 31.700 -0.195 0.000 0.842 716 Q N 1.497 120.892 119.800 -0.675 0.000 2.458 716 Q HA 0.363 4.703 4.340 0.001 0.000 0.282 716 Q C -0.461 175.133 176.000 -0.678 0.000 1.106 716 Q CA -0.736 54.648 55.803 -0.697 0.000 0.814 716 Q CB 1.630 29.885 28.738 -0.805 0.000 1.425 716 Q HN 0.571 nan 8.270 nan 0.000 0.437 717 H N 0.476 119.325 119.070 -0.368 0.000 2.481 717 H HA 0.415 4.971 4.556 0.001 0.000 0.339 717 H C -0.235 175.102 175.328 0.015 0.000 1.131 717 H CA -0.340 55.591 56.048 -0.195 0.000 1.301 717 H CB 1.171 30.725 29.762 -0.348 0.000 1.476 717 H HN 0.335 nan 8.280 nan 0.000 0.529 718 Q N 0.980 120.898 119.800 0.197 0.000 2.418 718 Q HA 0.348 4.689 4.340 0.001 0.000 0.282 718 Q C -0.306 175.704 176.000 0.017 0.000 1.044 718 Q CA -0.937 54.920 55.803 0.090 0.000 0.813 718 Q CB 2.468 31.248 28.738 0.069 0.000 1.428 718 Q HN 0.699 nan 8.270 nan 0.000 0.402 719 E N 0.824 120.970 120.200 -0.091 0.000 2.226 719 E HA 0.030 4.380 4.350 0.001 0.000 0.238 719 E C 0.757 177.305 176.600 -0.086 0.000 0.859 719 E CA 0.771 57.120 56.400 -0.085 0.000 1.114 719 E CB 0.146 29.775 29.700 -0.118 0.000 1.184 719 E HN 0.782 nan 8.360 nan 0.000 0.517 720 C N 0.172 119.402 119.300 -0.117 0.000 2.634 720 C HA 0.283 4.744 4.460 0.001 0.000 0.268 720 C C 0.077 175.149 174.990 0.136 0.000 1.322 720 C CA -0.513 58.528 59.018 0.039 0.000 1.737 720 C CB -1.155 26.690 27.740 0.176 0.000 1.976 720 C HN 0.437 nan 8.230 nan 0.000 0.547 721 F N -2.862 117.053 119.950 -0.058 0.000 2.773 721 F HA 0.742 5.270 4.527 0.001 0.000 0.314 721 F C -1.433 174.230 175.800 -0.228 0.000 1.160 721 F CA -1.328 56.599 58.000 -0.122 0.000 0.920 721 F CB 0.805 39.729 39.000 -0.126 0.000 1.323 721 F HN -0.291 nan 8.300 nan 0.000 0.457 722 V N 0.747 120.668 119.914 0.012 0.000 3.049 722 V HA 0.858 4.979 4.120 0.001 0.000 0.309 722 V C -1.514 174.548 176.094 -0.052 0.000 1.148 722 V CA -0.077 62.095 62.300 -0.214 0.000 0.990 722 V CB 2.166 33.546 31.823 -0.737 0.000 1.039 722 V HN 1.235 nan 8.190 nan 0.000 0.430 723 S N 4.616 120.292 115.700 -0.040 0.000 2.536 723 S HA 0.772 5.243 4.470 0.001 0.000 0.271 723 S C -1.702 172.916 174.600 0.030 0.000 1.134 723 S CA -0.529 57.676 58.200 0.008 0.000 0.897 723 S CB 1.504 64.769 63.200 0.108 0.000 1.094 723 S HN 0.721 nan 8.310 nan 0.000 0.473 724 L N 3.940 125.171 121.223 0.014 0.000 2.346 724 L HA 0.751 5.092 4.340 0.001 0.000 0.276 724 L C -1.166 175.775 176.870 0.119 0.000 1.006 724 L CA -0.675 54.179 54.840 0.023 0.000 0.817 724 L CB 1.733 43.778 42.059 -0.024 0.000 1.272 724 L HN 0.698 nan 8.230 nan 0.000 0.421 725 F N 2.142 122.029 119.950 -0.105 0.000 2.588 725 F HA 0.259 4.787 4.527 0.001 0.000 0.318 725 F C 0.055 175.820 175.800 -0.057 0.000 1.155 725 F CA -1.110 56.851 58.000 -0.065 0.000 0.967 725 F CB 1.389 40.364 39.000 -0.041 0.000 1.236 725 F HN 0.584 nan 8.300 nan 0.000 0.455 726 D N 2.182 122.217 120.400 -0.608 0.000 2.339 726 D HA 0.306 4.947 4.640 0.001 0.000 0.217 726 D C 1.499 177.518 176.300 -0.468 0.000 1.050 726 D CA 0.833 54.591 54.000 -0.403 0.000 0.856 726 D CB 0.514 41.166 40.800 -0.248 0.000 0.922 726 D HN 0.956 nan 8.370 nan 0.000 0.518 727 G N -1.052 107.168 108.800 -0.965 0.000 2.307 727 G HA2 -0.250 3.711 3.960 0.001 0.000 0.210 727 G HA3 -0.250 3.711 3.960 0.001 0.000 0.210 727 G C 1.026 175.654 174.900 -0.453 0.000 1.005 727 G CA 0.742 45.564 45.100 -0.463 0.000 0.634 727 G HN 0.713 nan 8.290 nan 0.000 0.496 728 E N -0.386 119.426 120.200 -0.647 0.000 2.475 728 E HA 0.423 4.774 4.350 0.001 0.000 0.205 728 E C 0.617 177.111 176.600 -0.177 0.000 0.822 728 E CA 0.913 57.173 56.400 -0.234 0.000 1.240 728 E CB 0.173 29.806 29.700 -0.113 0.000 1.222 728 E HN 0.481 nan 8.360 nan 0.000 0.581 729 N N -0.876 117.599 118.700 -0.374 0.000 2.262 729 N HA 0.678 5.419 4.740 0.001 0.000 0.295 729 N C -0.307 175.179 175.510 -0.040 0.000 1.161 729 N CA 0.137 53.157 53.050 -0.050 0.000 0.767 729 N CB 2.194 40.690 38.487 0.015 0.000 1.499 729 N HN 0.453 nan 8.380 nan 0.000 0.476 730 G N -0.689 108.240 108.800 0.215 0.000 2.554 730 G HA2 0.549 4.510 3.960 0.001 0.000 0.306 730 G HA3 0.549 4.510 3.960 0.001 0.000 0.306 730 G C -1.883 173.029 174.900 0.020 0.000 1.320 730 G CA -0.292 44.925 45.100 0.196 0.000 0.800 730 G HN 0.312 nan 8.290 nan 0.000 0.481 731 V N -0.140 119.719 119.914 -0.091 0.000 2.760 731 V HA 0.722 4.843 4.120 0.001 0.000 0.309 731 V C -0.534 175.391 176.094 -0.282 0.000 1.077 731 V CA -0.577 61.528 62.300 -0.326 0.000 0.910 731 V CB 2.156 33.776 31.823 -0.338 0.000 1.008 731 V HN 0.830 nan 8.190 nan 0.000 0.424 732 T N 5.798 120.106 114.554 -0.410 0.000 2.809 732 T HA 0.584 4.935 4.350 0.001 0.000 0.284 732 T C -0.608 173.889 174.700 -0.337 0.000 0.992 732 T CA -0.296 61.632 62.100 -0.287 0.000 0.957 732 T CB 0.882 69.583 68.868 -0.279 0.000 0.942 732 T HN 0.306 nan 8.240 nan 0.000 0.439 733 I N 3.393 123.825 120.570 -0.230 0.000 2.330 733 I HA 0.433 4.603 4.170 0.001 0.000 0.289 733 I C 1.014 177.119 176.117 -0.020 0.000 1.001 733 I CA -0.561 60.618 61.300 -0.202 0.000 1.193 733 I CB 0.777 38.601 38.000 -0.293 0.000 1.345 733 I HN 0.679 nan 8.210 nan 0.000 0.461 734 G N 6.453 115.278 108.800 0.041 0.000 2.477 734 G HA2 0.550 4.510 3.960 0.001 0.000 0.304 734 G HA3 0.550 4.510 3.960 0.001 0.000 0.304 734 G C -0.364 174.661 174.900 0.209 0.000 1.175 734 G CA -0.520 44.663 45.100 0.139 0.000 0.907 734 G HN 0.779 nan 8.290 nan 0.000 0.509 735 N N -1.499 117.331 118.700 0.218 0.000 2.732 735 N HA 0.260 5.001 4.740 0.001 0.000 0.259 735 N C -2.149 173.524 175.510 0.272 0.000 1.402 735 N CA -0.791 52.420 53.050 0.269 0.000 0.829 735 N CB 2.164 40.772 38.487 0.202 0.000 1.495 735 N HN 0.453 nan 8.380 nan 0.000 0.511 736 Y N -0.041 120.359 120.300 0.166 0.000 2.526 736 Y HA 0.419 4.970 4.550 0.001 0.000 0.328 736 Y C 0.900 176.860 175.900 0.100 0.000 0.995 736 Y CA 0.476 58.648 58.100 0.121 0.000 1.304 736 Y CB 0.343 38.870 38.460 0.112 0.000 1.096 736 Y HN 0.988 nan 8.280 nan 0.000 0.499 737 G N 4.819 113.621 108.800 0.004 0.000 2.179 737 G HA2 -0.278 3.682 3.960 0.001 0.000 0.257 737 G HA3 -0.278 3.682 3.960 0.001 0.000 0.257 737 G C -0.434 174.518 174.900 0.087 0.000 1.010 737 G CA 0.422 45.537 45.100 0.025 0.000 0.736 737 G HN 0.616 nan 8.290 nan 0.000 0.513 738 L N -0.196 121.094 121.223 0.112 0.000 2.360 738 L HA 0.386 4.727 4.340 0.001 0.000 0.265 738 L C 0.948 177.867 176.870 0.081 0.000 1.066 738 L CA -0.508 54.395 54.840 0.104 0.000 0.929 738 L CB 0.548 42.688 42.059 0.135 0.000 1.306 738 L HN 0.122 nan 8.230 nan 0.000 0.434 739 N N 0.744 119.479 118.700 0.060 0.000 2.336 739 N HA 0.003 4.744 4.740 0.001 0.000 0.189 739 N C 0.220 175.756 175.510 0.045 0.000 1.113 739 N CA 0.056 53.145 53.050 0.065 0.000 0.858 739 N CB 0.682 39.213 38.487 0.073 0.000 0.970 739 N HN 0.545 nan 8.380 nan 0.000 0.471 740 E N 0.908 121.114 120.200 0.010 0.000 2.158 740 E HA 0.177 4.527 4.350 0.001 0.000 0.271 740 E C -1.363 175.239 176.600 0.004 0.000 0.911 740 E CA -0.755 55.597 56.400 -0.079 0.000 0.767 740 E CB 0.783 30.412 29.700 -0.119 0.000 1.120 740 E HN 0.162 nan 8.360 nan 0.000 0.405 741 Y N 1.149 121.386 120.300 -0.105 0.000 2.634 741 Y HA 0.675 5.226 4.550 0.001 0.000 0.340 741 Y C -1.074 174.750 175.900 -0.127 0.000 1.058 741 Y CA -1.147 56.893 58.100 -0.102 0.000 1.081 741 Y CB 1.467 39.867 38.460 -0.100 0.000 1.295 741 Y HN 0.427 nan 8.280 nan 0.000 0.487 742 E N 1.575 121.751 120.200 -0.040 0.000 2.331 742 E HA 0.470 4.821 4.350 0.001 0.000 0.275 742 E C -1.757 174.832 176.600 -0.018 0.000 0.895 742 E CA -0.963 55.347 56.400 -0.150 0.000 0.753 742 E CB 1.919 31.532 29.700 -0.144 0.000 1.216 742 E HN 0.665 nan 8.360 nan 0.000 0.434 743 I N 4.619 125.120 120.570 -0.115 0.000 2.331 743 I HA 0.232 4.402 4.170 0.001 0.000 0.292 743 I C -0.071 175.952 176.117 -0.155 0.000 0.998 743 I CA -0.559 60.643 61.300 -0.163 0.000 1.267 743 I CB 0.780 38.602 38.000 -0.297 0.000 1.386 743 I HN 0.512 nan 8.210 nan 0.000 0.476 744 L N 8.641 129.787 121.223 -0.129 0.000 2.270 744 L HA 0.285 4.626 4.340 0.001 0.000 0.286 744 L C -1.249 175.530 176.870 -0.151 0.000 1.059 744 L CA -1.364 53.403 54.840 -0.123 0.000 0.839 744 L CB 0.751 42.758 42.059 -0.085 0.000 1.221 744 L HN 0.339 nan 8.230 nan 0.000 0.431 745 P HA -0.133 nan 4.420 nan 0.000 0.222 745 P C 0.494 177.703 177.300 -0.153 0.000 1.147 745 P CA 0.943 63.857 63.100 -0.310 0.000 0.790 745 P CB 0.430 31.662 31.700 -0.780 0.000 0.780 746 D N -0.167 120.188 120.400 -0.075 0.000 2.219 746 D HA -0.072 4.569 4.640 0.001 0.000 0.205 746 D C 1.657 177.955 176.300 -0.004 0.000 0.970 746 D CA 1.832 55.833 54.000 0.001 0.000 0.851 746 D CB -0.515 40.297 40.800 0.021 0.000 0.943 746 D HN 0.336 nan 8.370 nan 0.000 0.488 747 T N -3.433 111.081 114.554 -0.067 0.000 3.043 747 T HA 0.076 4.427 4.350 0.001 0.000 0.272 747 T C 0.354 174.920 174.700 -0.223 0.000 0.990 747 T CA -0.459 61.550 62.100 -0.152 0.000 0.897 747 T CB 0.148 68.877 68.868 -0.233 0.000 1.111 747 T HN -0.225 nan 8.240 nan 0.000 0.529 748 N N 2.252 120.870 118.700 -0.136 0.000 2.686 748 N HA -0.118 4.623 4.740 0.001 0.000 0.261 748 N C -0.781 174.651 175.510 -0.130 0.000 1.001 748 N CA 0.967 53.944 53.050 -0.122 0.000 0.764 748 N CB -1.475 36.967 38.487 -0.075 0.000 0.898 748 N HN 0.555 nan 8.380 nan 0.000 0.544 749 T N 1.078 115.553 114.554 -0.133 0.000 2.817 749 T HA 0.442 4.793 4.350 0.001 0.000 0.293 749 T C 1.219 175.885 174.700 -0.056 0.000 0.964 749 T CA -0.378 61.665 62.100 -0.096 0.000 1.085 749 T CB 1.097 69.901 68.868 -0.106 0.000 0.921 749 T HN 0.123 nan 8.240 nan 0.000 0.502 750 I N 3.144 123.717 120.570 0.005 0.000 2.312 750 I HA 0.429 4.599 4.170 0.001 0.000 0.291 750 I C 0.488 176.664 176.117 0.098 0.000 1.031 750 I CA -0.454 60.864 61.300 0.030 0.000 1.293 750 I CB 0.725 38.728 38.000 0.005 0.000 1.403 750 I HN 0.610 nan 8.210 nan 0.000 0.484 751 A N 8.402 131.255 122.820 0.055 0.000 2.258 751 A HA 0.701 5.022 4.320 0.001 0.000 0.316 751 A C -0.492 177.124 177.584 0.053 0.000 1.279 751 A CA -0.523 51.530 52.037 0.027 0.000 0.876 751 A CB 0.466 19.457 19.000 -0.015 0.000 1.170 751 A HN 0.524 nan 8.150 nan 0.000 0.520 752 I N 2.430 123.016 120.570 0.027 0.000 2.377 752 I HA 0.275 4.446 4.170 0.001 0.000 0.293 752 I C 0.301 176.402 176.117 -0.025 0.000 0.987 752 I CA -0.096 61.213 61.300 0.014 0.000 1.185 752 I CB 1.297 39.279 38.000 -0.029 0.000 1.341 752 I HN 0.511 nan 8.210 nan 0.000 0.455 753 T N 7.395 121.946 114.554 -0.004 0.000 2.761 753 T HA 0.358 4.709 4.350 0.001 0.000 0.296 753 T C 1.542 176.251 174.700 0.015 0.000 0.934 753 T CA -0.249 61.847 62.100 -0.007 0.000 1.091 753 T CB 1.042 69.898 68.868 -0.020 0.000 0.896 753 T HN 0.383 nan 8.240 nan 0.000 0.515 754 L N 2.846 124.091 121.223 0.036 0.000 2.408 754 L HA 0.437 4.777 4.340 0.001 0.000 0.215 754 L C 0.142 177.073 176.870 0.102 0.000 1.081 754 L CA 0.243 55.148 54.840 0.108 0.000 0.840 754 L CB 0.139 42.318 42.059 0.200 0.000 1.002 754 L HN 0.397 nan 8.230 nan 0.000 0.468 755 L N -0.420 120.816 121.223 0.022 0.000 2.611 755 L HA 0.445 4.786 4.340 0.001 0.000 0.260 755 L C -1.142 175.660 176.870 -0.113 0.000 0.924 755 L CA -0.293 54.512 54.840 -0.058 0.000 0.901 755 L CB 1.906 43.925 42.059 -0.066 0.000 1.369 755 L HN -0.068 nan 8.230 nan 0.000 0.415 756 R N 2.798 123.240 120.500 -0.097 0.000 2.502 756 R HA 0.769 5.110 4.340 0.001 0.000 0.300 756 R C -1.444 174.818 176.300 -0.064 0.000 0.984 756 R CA -0.329 55.715 56.100 -0.092 0.000 0.882 756 R CB 1.871 32.148 30.300 -0.039 0.000 1.180 756 R HN 0.735 nan 8.270 nan 0.000 0.444 757 S N 3.399 119.045 115.700 -0.089 0.000 2.530 757 S HA 0.492 4.963 4.470 0.001 0.000 0.322 757 S C -0.550 174.088 174.600 0.063 0.000 1.085 757 S CA -0.699 57.504 58.200 0.006 0.000 1.096 757 S CB 1.414 64.625 63.200 0.018 0.000 0.988 757 S HN 0.449 nan 8.310 nan 0.000 0.466 758 V N 0.287 120.253 119.914 0.087 0.000 3.160 758 V HA 1.003 5.124 4.120 0.001 0.000 0.310 758 V C 0.501 176.666 176.094 0.117 0.000 1.181 758 V CA -0.785 61.577 62.300 0.103 0.000 1.047 758 V CB 1.603 33.489 31.823 0.105 0.000 1.068 758 V HN 0.750 nan 8.190 nan 0.000 0.441 759 G N 0.295 109.170 108.800 0.126 0.000 3.377 759 G HA2 0.545 4.505 3.960 0.001 0.000 0.257 759 G HA3 0.545 4.505 3.960 0.001 0.000 0.257 759 G C 0.050 175.037 174.900 0.145 0.000 1.038 759 G CA 0.570 45.748 45.100 0.131 0.000 0.809 759 G HN 1.087 nan 8.290 nan 0.000 0.526 760 E N -1.601 118.694 120.200 0.158 0.000 2.413 760 E HA 0.466 4.817 4.350 0.001 0.000 0.277 760 E C 0.781 177.497 176.600 0.193 0.000 0.958 760 E CA -0.986 55.512 56.400 0.163 0.000 0.779 760 E CB 1.044 30.878 29.700 0.224 0.000 1.278 760 E HN -0.108 nan 8.360 nan 0.000 0.456 761 M N 1.077 120.805 119.600 0.214 0.000 2.077 761 M HA 0.101 4.582 4.480 0.001 0.000 0.261 761 M C 0.808 177.360 176.300 0.420 0.000 1.070 761 M CA 2.795 58.260 55.300 0.274 0.000 1.125 761 M CB -0.372 32.363 32.600 0.225 0.000 1.339 761 M HN 0.958 nan 8.290 nan 0.000 0.409 762 G N 0.114 109.149 108.800 0.392 0.000 2.428 762 G HA2 -0.168 3.793 3.960 0.001 0.000 0.202 762 G HA3 -0.168 3.793 3.960 0.001 0.000 0.202 762 G C -0.297 174.788 174.900 0.307 0.000 1.247 762 G CA 0.100 45.427 45.100 0.379 0.000 1.020 762 G HN 0.663 nan 8.290 nan 0.000 0.529 763 D N -2.414 118.074 120.400 0.146 0.000 3.935 763 D HA -0.207 4.434 4.640 0.001 0.000 0.149 763 D C 1.505 177.923 176.300 0.196 0.000 0.932 763 D CA 3.558 57.625 54.000 0.112 0.000 1.083 763 D CB -1.433 39.554 40.800 0.311 0.000 0.549 763 D HN 1.513 nan 8.370 nan 0.000 0.577 764 W N 1.387 122.773 121.300 0.143 0.000 3.047 764 W HA 0.455 5.115 4.660 0.001 0.000 0.250 764 W C 0.397 176.980 176.519 0.106 0.000 1.314 764 W CA 0.663 58.065 57.345 0.095 0.000 1.540 764 W CB -0.745 28.753 29.460 0.064 0.000 1.127 764 W HN 0.472 nan 8.180 nan 0.000 0.679 765 G N 0.039 108.706 108.800 -0.222 0.000 2.682 765 G HA2 0.359 4.319 3.960 0.001 0.000 0.303 765 G HA3 0.359 4.319 3.960 0.001 0.000 0.303 765 G C -2.409 172.254 174.900 -0.395 0.000 1.341 765 G CA -1.050 43.772 45.100 -0.463 0.000 0.784 765 G HN 0.055 nan 8.290 nan 0.000 0.497 766 Y N 0.807 120.677 120.300 -0.716 0.000 2.454 766 Y HA 0.702 5.252 4.550 0.001 0.000 0.345 766 Y C -1.360 174.068 175.900 -0.787 0.000 0.970 766 Y CA -2.061 55.733 58.100 -0.509 0.000 1.204 766 Y CB 0.327 38.591 38.460 -0.327 0.000 1.122 766 Y HN 0.196 nan 8.280 nan 0.000 0.514 767 F N 8.501 128.133 119.950 -0.531 0.000 2.443 767 F HA 0.405 4.933 4.527 0.001 0.000 0.369 767 F C -2.289 173.220 175.800 -0.485 0.000 1.090 767 F CA -2.588 55.105 58.000 -0.512 0.000 1.129 767 F CB 1.000 39.811 39.000 -0.316 0.000 1.367 767 F HN 0.412 nan 8.300 nan 0.000 0.465 768 P HA 0.095 nan 4.420 nan 0.000 0.268 768 P C -0.099 177.173 177.300 -0.047 0.000 1.204 768 P CA -0.068 62.856 63.100 -0.293 0.000 0.768 768 P CB 0.997 32.533 31.700 -0.274 0.000 0.842 769 T N -0.472 114.109 114.554 0.044 0.000 3.305 769 T HA 0.307 4.657 4.350 0.001 0.000 0.348 769 T C -1.975 172.789 174.700 0.107 0.000 1.394 769 T CA -1.947 60.211 62.100 0.096 0.000 1.549 769 T CB 0.935 69.887 68.868 0.140 0.000 0.962 769 T HN 0.144 nan 8.240 nan 0.000 0.609 770 P HA -0.070 nan 4.420 nan 0.000 0.218 770 P C 1.080 178.444 177.300 0.108 0.000 1.149 770 P CA 1.036 64.192 63.100 0.093 0.000 0.817 770 P CB 0.326 32.071 31.700 0.074 0.000 0.785 771 E N -0.143 120.129 120.200 0.120 0.000 2.418 771 E HA 0.001 4.352 4.350 0.001 0.000 0.197 771 E C 1.932 178.644 176.600 0.187 0.000 1.026 771 E CA 0.513 56.995 56.400 0.137 0.000 0.862 771 E CB -0.353 29.431 29.700 0.139 0.000 0.799 771 E HN 0.198 nan 8.360 nan 0.000 0.518 772 A N 0.997 123.924 122.820 0.177 0.000 2.209 772 A HA -0.135 4.185 4.320 0.001 0.000 0.212 772 A C 1.841 179.519 177.584 0.158 0.000 1.158 772 A CA 0.621 52.760 52.037 0.170 0.000 0.742 772 A CB -0.035 19.045 19.000 0.134 0.000 0.790 772 A HN 0.091 nan 8.150 nan 0.000 0.472 773 Q N -1.530 118.361 119.800 0.151 0.000 2.436 773 Q HA -0.040 4.301 4.340 0.001 0.000 0.209 773 Q C 0.657 176.764 176.000 0.178 0.000 0.965 773 Q CA 0.792 56.683 55.803 0.147 0.000 0.910 773 Q CB -0.688 28.130 28.738 0.134 0.000 0.980 773 Q HN 0.714 nan 8.270 nan 0.000 0.491 774 C N 1.144 120.572 119.300 0.213 0.000 4.167 774 C HA -0.171 4.290 4.460 0.001 0.000 0.302 774 C C 0.683 175.877 174.990 0.341 0.000 1.384 774 C CA -0.425 58.769 59.018 0.294 0.000 2.041 774 C CB -3.071 24.873 27.740 0.341 0.000 1.303 774 C HN 0.381 nan 8.230 nan 0.000 0.718 775 L N 0.994 122.330 121.223 0.188 0.000 2.452 775 L HA 0.579 4.920 4.340 0.001 0.000 0.267 775 L C 1.211 178.117 176.870 0.061 0.000 1.188 775 L CA 1.450 56.382 54.840 0.154 0.000 0.821 775 L CB 0.295 42.408 42.059 0.090 0.000 1.102 775 L HN 0.868 nan 8.230 nan 0.000 0.470 776 G N 1.640 110.467 108.800 0.045 0.000 2.466 776 G HA2 -0.144 3.817 3.960 0.001 0.000 0.316 776 G HA3 -0.144 3.817 3.960 0.001 0.000 0.316 776 G C -0.997 173.795 174.900 -0.180 0.000 1.270 776 G CA -0.847 44.204 45.100 -0.081 0.000 0.982 776 G HN 0.524 nan 8.290 nan 0.000 0.506 777 K N 0.759 120.991 120.400 -0.279 0.000 2.270 777 K HA 0.522 4.843 4.320 0.001 0.000 0.276 777 K C -0.268 175.960 176.600 -0.620 0.000 1.023 777 K CA -0.286 55.813 56.287 -0.313 0.000 0.955 777 K CB 0.559 32.936 32.500 -0.204 0.000 0.975 777 K HN 0.534 nan 8.250 nan 0.000 0.471 778 H N -0.163 118.655 119.070 -0.421 0.000 2.821 778 H HA 0.281 4.838 4.556 0.001 0.000 0.373 778 H C -1.021 174.044 175.328 -0.438 0.000 1.165 778 H CA -0.660 55.109 56.048 -0.465 0.000 1.154 778 H CB 2.369 31.715 29.762 -0.694 0.000 1.765 778 H HN 0.478 nan 8.280 nan 0.000 0.549 779 S N 3.103 118.743 115.700 -0.100 0.000 2.776 779 S HA 0.376 4.847 4.470 0.001 0.000 0.284 779 S C -1.530 173.106 174.600 0.059 0.000 1.160 779 S CA -0.769 57.403 58.200 -0.047 0.000 1.051 779 S CB -0.014 63.152 63.200 -0.057 0.000 1.037 779 S HN 0.294 nan 8.310 nan 0.000 0.485 780 L N 3.669 124.986 121.223 0.155 0.000 2.322 780 L HA 0.642 4.982 4.340 0.001 0.000 0.281 780 L C 0.218 177.309 176.870 0.367 0.000 1.014 780 L CA -0.394 54.614 54.840 0.281 0.000 0.815 780 L CB 1.300 43.575 42.059 0.360 0.000 1.247 780 L HN 0.598 nan 8.230 nan 0.000 0.421 781 S N 3.149 119.054 115.700 0.341 0.000 2.482 781 S HA 0.877 5.348 4.470 0.001 0.000 0.303 781 S C -1.027 173.843 174.600 0.449 0.000 1.091 781 S CA -0.459 57.897 58.200 0.261 0.000 1.057 781 S CB 1.756 64.999 63.200 0.071 0.000 1.031 781 S HN 0.538 nan 8.310 nan 0.000 0.485 782 Y N -1.030 119.439 120.300 0.281 0.000 2.750 782 Y HA 0.777 5.328 4.550 0.001 0.000 0.335 782 Y C -0.756 175.349 175.900 0.340 0.000 1.252 782 Y CA -1.255 57.023 58.100 0.297 0.000 1.064 782 Y CB 0.573 39.225 38.460 0.320 0.000 1.321 782 Y HN 0.626 nan 8.280 nan 0.000 0.451 783 S N 0.705 116.641 115.700 0.393 0.000 2.579 783 S HA 0.769 5.240 4.470 0.001 0.000 0.272 783 S C -1.964 172.770 174.600 0.223 0.000 1.141 783 S CA -0.728 57.588 58.200 0.193 0.000 0.843 783 S CB 2.457 65.668 63.200 0.019 0.000 1.122 783 S HN 1.097 nan 8.310 nan 0.000 0.468 784 F N 1.042 120.994 119.950 0.004 0.000 2.507 784 F HA 0.757 5.285 4.527 0.001 0.000 0.325 784 F C -0.477 175.243 175.800 -0.133 0.000 1.116 784 F CA -0.335 57.624 58.000 -0.068 0.000 0.930 784 F CB 1.638 40.730 39.000 0.152 0.000 1.146 784 F HN 0.924 nan 8.300 nan 0.000 0.447 785 E N 3.887 123.524 120.200 -0.938 0.000 2.275 785 E HA 0.315 4.665 4.350 0.001 0.000 0.270 785 E C -1.714 174.257 176.600 -1.049 0.000 0.882 785 E CA -0.737 55.190 56.400 -0.789 0.000 0.758 785 E CB 1.975 31.372 29.700 -0.504 0.000 1.195 785 E HN 0.588 nan 8.360 nan 0.000 0.419 786 S N 5.043 120.335 115.700 -0.680 0.000 2.475 786 S HA 0.510 4.981 4.470 0.001 0.000 0.281 786 S C -0.093 174.384 174.600 -0.205 0.000 1.198 786 S CA -0.673 57.318 58.200 -0.348 0.000 1.063 786 S CB -0.005 63.245 63.200 0.083 0.000 0.972 786 S HN 0.463 nan 8.310 nan 0.000 0.486 787 I N 2.471 122.947 120.570 -0.157 0.000 2.797 787 I HA 0.812 4.982 4.170 0.001 0.000 0.307 787 I C 0.035 176.173 176.117 0.034 0.000 1.033 787 I CA -0.791 60.422 61.300 -0.144 0.000 1.071 787 I CB 2.220 40.043 38.000 -0.295 0.000 1.255 787 I HN 0.596 nan 8.210 nan 0.000 0.445 788 T N 0.123 114.686 114.554 0.015 0.000 2.905 788 T HA 0.405 4.756 4.350 0.001 0.000 0.283 788 T C 0.716 175.478 174.700 0.103 0.000 1.031 788 T CA -0.626 61.562 62.100 0.147 0.000 1.002 788 T CB 1.766 70.682 68.868 0.080 0.000 1.200 788 T HN 0.756 nan 8.240 nan 0.000 0.560 789 K N 0.231 120.778 120.400 0.246 0.000 2.074 789 K HA -0.157 4.164 4.320 0.001 0.000 0.209 789 K C 2.172 178.742 176.600 -0.050 0.000 1.048 789 K CA 1.830 58.196 56.287 0.132 0.000 0.926 789 K CB -0.670 31.968 32.500 0.231 0.000 0.713 789 K HN 0.573 nan 8.250 nan 0.000 0.444 790 Q N -1.017 118.775 119.800 -0.013 0.000 2.297 790 Q HA -0.017 4.324 4.340 0.001 0.000 0.204 790 Q C 1.438 177.385 176.000 -0.088 0.000 0.962 790 Q CA 1.647 57.437 55.803 -0.023 0.000 0.879 790 Q CB 0.126 28.869 28.738 0.009 0.000 0.947 790 Q HN 0.621 nan 8.270 nan 0.000 0.462 791 T N -4.463 109.983 114.554 -0.179 0.000 3.040 791 T HA 0.113 4.464 4.350 0.001 0.000 0.266 791 T C 1.435 175.834 174.700 -0.500 0.000 1.005 791 T CA -0.111 61.820 62.100 -0.282 0.000 0.906 791 T CB 0.220 68.936 68.868 -0.253 0.000 1.082 791 T HN 0.169 nan 8.240 nan 0.000 0.531 792 Q N 0.355 119.779 119.800 -0.627 0.000 2.045 792 Q HA -0.157 4.184 4.340 0.001 0.000 0.206 792 Q C 1.366 176.510 176.000 -1.428 0.000 0.991 792 Q CA 1.999 57.147 55.803 -1.092 0.000 0.851 792 Q CB -0.355 27.556 28.738 -1.377 0.000 0.911 792 Q HN 0.583 nan 8.270 nan 0.000 0.418 793 F N 0.025 119.480 119.950 -0.826 0.000 2.206 793 F HA 0.008 4.536 4.527 0.001 0.000 0.298 793 F C 2.393 177.765 175.800 -0.715 0.000 1.090 793 F CA 0.934 58.520 58.000 -0.690 0.000 1.323 793 F CB -0.608 38.235 39.000 -0.262 0.000 1.028 793 F HN 0.215 nan 8.300 nan 0.000 0.492 794 A N -0.219 122.235 122.820 -0.609 0.000 1.969 794 A HA -0.180 4.141 4.320 0.001 0.000 0.218 794 A C 2.359 179.127 177.584 -1.361 0.000 1.169 794 A CA 1.782 53.066 52.037 -1.256 0.000 0.635 794 A CB -1.134 17.402 19.000 -0.773 0.000 0.810 794 A HN 0.390 nan 8.150 nan 0.000 0.445 795 S N -1.240 113.883 115.700 -0.961 0.000 2.419 795 S HA -0.169 4.301 4.470 0.001 0.000 0.233 795 S C 1.835 176.034 174.600 -0.668 0.000 1.016 795 S CA 1.381 59.106 58.200 -0.790 0.000 0.974 795 S CB -0.655 62.124 63.200 -0.702 0.000 0.786 795 S HN 0.526 nan 8.310 nan 0.000 0.492 796 Y N 1.846 121.659 120.300 -0.812 0.000 2.176 796 Y HA 0.083 4.634 4.550 0.001 0.000 0.291 796 Y C 2.588 178.253 175.900 -0.392 0.000 1.122 796 Y CA -0.085 57.461 58.100 -0.924 0.000 1.128 796 Y CB -1.637 36.376 38.460 -0.746 0.000 1.005 796 Y HN 0.590 nan 8.280 nan 0.000 0.509 797 W N 0.903 122.136 121.300 -0.112 0.000 2.425 797 W HA -0.060 4.601 4.660 0.001 0.000 0.277 797 W C 1.640 178.113 176.519 -0.077 0.000 1.231 797 W CA 0.646 57.929 57.345 -0.102 0.000 1.248 797 W CB -0.860 28.381 29.460 -0.366 0.000 1.117 797 W HN 0.011 nan 8.180 nan 0.000 0.568 798 R N 1.141 121.442 120.500 -0.331 0.000 2.081 798 R HA -0.111 4.230 4.340 0.001 0.000 0.235 798 R C 2.763 179.046 176.300 -0.028 0.000 1.131 798 R CA 2.018 57.997 56.100 -0.202 0.000 0.960 798 R CB -0.711 29.288 30.300 -0.503 0.000 0.856 798 R HN 0.237 nan 8.270 nan 0.000 0.436 799 A N 0.910 123.689 122.820 -0.069 0.000 1.933 799 A HA -0.211 4.110 4.320 0.001 0.000 0.218 799 A C 1.999 179.695 177.584 0.186 0.000 1.175 799 A CA 1.221 53.294 52.037 0.060 0.000 0.628 799 A CB -0.272 18.768 19.000 0.066 0.000 0.814 799 A HN 0.352 nan 8.150 nan 0.000 0.444 800 Q N -0.653 119.292 119.800 0.243 0.000 2.020 800 Q HA -0.130 4.211 4.340 0.001 0.000 0.198 800 Q C 1.882 178.020 176.000 0.231 0.000 0.974 800 Q CA 1.536 57.497 55.803 0.263 0.000 0.829 800 Q CB -0.172 28.760 28.738 0.324 0.000 0.894 800 Q HN 0.762 nan 8.270 nan 0.000 0.433 801 E N 0.141 120.501 120.200 0.268 0.000 2.285 801 E HA -0.047 4.303 4.350 0.001 0.000 0.194 801 E C 1.845 178.572 176.600 0.211 0.000 0.997 801 E CA 0.550 57.099 56.400 0.250 0.000 0.845 801 E CB -0.018 29.866 29.700 0.307 0.000 0.782 801 E HN 0.411 nan 8.360 nan 0.000 0.491 802 G N 1.131 110.046 108.800 0.191 0.000 2.625 802 G HA2 -0.245 3.716 3.960 0.001 0.000 0.214 802 G HA3 -0.245 3.716 3.960 0.001 0.000 0.214 802 G C 1.268 176.276 174.900 0.181 0.000 1.132 802 G CA 0.100 45.291 45.100 0.152 0.000 0.782 802 G HN 0.190 nan 8.290 nan 0.000 0.538 803 Q N -0.602 119.331 119.800 0.223 0.000 2.472 803 Q HA 0.115 4.456 4.340 0.001 0.000 0.208 803 Q C -0.154 176.023 176.000 0.295 0.000 0.958 803 Q CA 0.174 56.170 55.803 0.321 0.000 0.932 803 Q CB 0.644 29.523 28.738 0.234 0.000 1.007 803 Q HN 0.318 nan 8.270 nan 0.000 0.508 804 V N 3.265 123.304 119.914 0.209 0.000 2.407 804 V HA 0.283 4.404 4.120 0.001 0.000 0.291 804 V C -2.142 174.042 176.094 0.149 0.000 1.018 804 V CA -1.882 60.526 62.300 0.179 0.000 0.842 804 V CB 1.479 33.397 31.823 0.158 0.000 0.996 804 V HN 0.050 nan 8.190 nan 0.000 0.426 805 P HA 0.236 nan 4.420 nan 0.000 0.274 805 P C -0.122 177.254 177.300 0.126 0.000 1.237 805 P CA -0.184 62.986 63.100 0.117 0.000 0.793 805 P CB 1.080 32.841 31.700 0.102 0.000 0.977 806 V N 2.541 122.530 119.914 0.124 0.000 2.720 806 V HA -0.077 4.043 4.120 0.001 0.000 0.307 806 V C 0.926 177.120 176.094 0.166 0.000 1.071 806 V CA 0.652 63.041 62.300 0.148 0.000 1.199 806 V CB -0.530 31.375 31.823 0.137 0.000 0.900 806 V HN 0.313 nan 8.190 nan 0.000 0.494 807 I N 4.625 125.327 120.570 0.221 0.000 2.437 807 I HA 0.517 4.688 4.170 0.001 0.000 0.298 807 I C 0.383 176.700 176.117 0.334 0.000 0.984 807 I CA -0.016 61.423 61.300 0.232 0.000 1.214 807 I CB 1.520 39.624 38.000 0.173 0.000 1.365 807 I HN 0.819 nan 8.210 nan 0.000 0.469 808 T N 1.109 115.816 114.554 0.255 0.000 2.906 808 T HA 0.732 5.083 4.350 0.001 0.000 0.295 808 T C -0.425 174.409 174.700 0.224 0.000 1.061 808 T CA -0.707 61.560 62.100 0.278 0.000 1.000 808 T CB 2.510 71.509 68.868 0.218 0.000 1.103 808 T HN 0.653 nan 8.240 nan 0.000 0.486 809 T N 0.646 115.347 114.554 0.245 0.000 2.889 809 T HA 0.469 4.819 4.350 0.001 0.000 0.315 809 T C -1.620 173.167 174.700 0.145 0.000 1.291 809 T CA -0.595 61.597 62.100 0.153 0.000 1.028 809 T CB 2.045 70.997 68.868 0.141 0.000 1.235 809 T HN 0.771 nan 8.240 nan 0.000 0.491 810 Q N 1.167 121.018 119.800 0.084 0.000 2.226 810 Q HA 0.706 5.046 4.340 0.001 0.000 0.256 810 Q C -0.736 175.289 176.000 0.042 0.000 0.962 810 Q CA -0.758 55.090 55.803 0.075 0.000 0.887 810 Q CB 2.143 30.903 28.738 0.036 0.000 1.282 810 Q HN 0.624 nan 8.270 nan 0.000 0.449 811 T N 0.591 115.163 114.554 0.031 0.000 2.821 811 T HA 0.348 4.699 4.350 0.001 0.000 0.306 811 T C -1.013 173.688 174.700 0.002 0.000 1.313 811 T CA -0.706 61.429 62.100 0.059 0.000 1.012 811 T CB 1.207 70.166 68.868 0.152 0.000 1.298 811 T HN 0.504 nan 8.240 nan 0.000 0.502 812 N N 1.233 119.961 118.700 0.048 0.000 2.418 812 N HA 0.386 5.127 4.740 0.001 0.000 0.283 812 N C -0.648 174.723 175.510 -0.232 0.000 1.267 812 N CA -0.447 52.583 53.050 -0.033 0.000 0.975 812 N CB 0.287 38.792 38.487 0.030 0.000 1.167 812 N HN 0.531 nan 8.380 nan 0.000 0.581 813 Q N 0.380 120.085 119.800 -0.157 0.000 2.288 813 Q HA 0.307 4.648 4.340 0.001 0.000 0.258 813 Q C -0.937 174.978 176.000 -0.142 0.000 0.957 813 Q CA 0.228 55.914 55.803 -0.195 0.000 0.919 813 Q CB 0.340 29.055 28.738 -0.039 0.000 1.185 813 Q HN 0.606 nan 8.270 nan 0.000 0.408 814 H N -1.349 117.740 119.070 0.032 0.000 3.037 814 H HA 0.376 4.933 4.556 0.001 0.000 0.336 814 H C -1.023 174.317 175.328 0.021 0.000 1.323 814 H CA -1.130 54.927 56.048 0.015 0.000 1.159 814 H CB 0.583 30.344 29.762 -0.001 0.000 1.882 814 H HN 0.426 nan 8.280 nan 0.000 0.535 815 E N 0.266 120.575 120.200 0.183 0.000 2.438 815 E HA 0.447 4.797 4.350 0.001 0.000 0.261 815 E C 0.125 176.826 176.600 0.168 0.000 1.103 815 E CA 0.590 57.065 56.400 0.124 0.000 0.959 815 E CB 0.579 30.320 29.700 0.068 0.000 0.958 815 E HN 0.823 nan 8.360 nan 0.000 0.447 816 G N -0.653 108.214 108.800 0.111 0.000 2.601 816 G HA2 0.236 4.196 3.960 0.001 0.000 0.291 816 G HA3 0.236 4.196 3.960 0.001 0.000 0.291 816 G C 0.155 175.087 174.900 0.052 0.000 1.456 816 G CA -0.194 44.958 45.100 0.087 0.000 0.804 816 G HN 0.444 nan 8.290 nan 0.000 0.499 817 T N -1.347 113.226 114.554 0.032 0.000 3.065 817 T HA 0.305 4.655 4.350 0.001 0.000 0.252 817 T C 0.934 175.655 174.700 0.034 0.000 1.099 817 T CA 0.259 62.373 62.100 0.023 0.000 1.063 817 T CB -0.160 68.712 68.868 0.006 0.000 0.948 817 T HN 0.268 nan 8.240 nan 0.000 0.506 818 L N 1.567 122.828 121.223 0.063 0.000 2.334 818 L HA 0.731 5.072 4.340 0.001 0.000 0.275 818 L C 0.602 177.572 176.870 0.166 0.000 1.036 818 L CA -1.423 53.489 54.840 0.120 0.000 0.807 818 L CB 1.125 43.281 42.059 0.161 0.000 1.231 818 L HN 0.129 nan 8.230 nan 0.000 0.438 819 A N 1.530 124.470 122.820 0.200 0.000 2.386 819 A HA 0.487 4.808 4.320 0.001 0.000 0.248 819 A C 1.034 178.843 177.584 0.375 0.000 1.082 819 A CA 0.351 52.515 52.037 0.213 0.000 0.789 819 A CB 0.718 19.813 19.000 0.158 0.000 1.025 819 A HN 0.941 nan 8.150 nan 0.000 0.490 820 A N 0.432 123.409 122.820 0.261 0.000 2.119 820 A HA 0.156 4.477 4.320 0.001 0.000 0.217 820 A C 0.821 178.610 177.584 0.342 0.000 1.153 820 A CA 1.554 53.764 52.037 0.289 0.000 0.692 820 A CB -0.178 18.936 19.000 0.190 0.000 0.799 820 A HN 0.852 nan 8.150 nan 0.000 0.458 821 E N -1.818 118.515 120.200 0.222 0.000 2.263 821 E HA 0.542 4.893 4.350 0.001 0.000 0.268 821 E C -2.118 174.422 176.600 -0.099 0.000 0.884 821 E CA -0.663 55.756 56.400 0.033 0.000 0.766 821 E CB 1.246 30.947 29.700 0.003 0.000 1.196 821 E HN 0.208 nan 8.360 nan 0.000 0.416 822 Y N 1.655 121.541 120.300 -0.690 0.000 2.480 822 Y HA 0.363 4.914 4.550 0.001 0.000 0.329 822 Y C -1.676 173.765 175.900 -0.765 0.000 1.127 822 Y CA -0.600 57.043 58.100 -0.763 0.000 1.037 822 Y CB 2.154 40.043 38.460 -0.952 0.000 1.320 822 Y HN 0.412 nan 8.280 nan 0.000 0.446 823 S N 5.462 120.450 115.700 -1.186 0.000 2.433 823 S HA 0.224 4.695 4.470 0.001 0.000 0.310 823 S C -0.129 173.859 174.600 -1.021 0.000 1.097 823 S CA -0.488 57.206 58.200 -0.844 0.000 1.103 823 S CB 0.679 63.547 63.200 -0.553 0.000 0.992 823 S HN 0.767 nan 8.310 nan 0.000 0.469 824 Y N 2.823 122.781 120.300 -0.571 0.000 2.475 824 Y HA 0.203 4.753 4.550 0.001 0.000 0.289 824 Y C 0.393 176.163 175.900 -0.217 0.000 1.121 824 Y CA 0.503 58.478 58.100 -0.208 0.000 1.257 824 Y CB 0.284 38.766 38.460 0.037 0.000 1.026 824 Y HN 0.647 nan 8.280 nan 0.000 0.555 825 L N -1.965 119.152 121.223 -0.176 0.000 2.376 825 L HA 0.790 5.131 4.340 0.001 0.000 0.258 825 L C -0.391 176.316 176.870 -0.271 0.000 1.013 825 L CA -0.615 54.088 54.840 -0.227 0.000 0.822 825 L CB 1.828 43.770 42.059 -0.195 0.000 1.388 825 L HN -0.148 nan 8.230 nan 0.000 0.413 826 T N -2.977 111.424 114.554 -0.255 0.000 2.742 826 T HA 0.740 5.091 4.350 0.001 0.000 0.282 826 T C 0.551 175.115 174.700 -0.227 0.000 1.025 826 T CA -0.449 61.513 62.100 -0.231 0.000 1.020 826 T CB 0.992 69.742 68.868 -0.196 0.000 1.317 826 T HN 2.204 nan 8.240 nan 0.000 0.538 827 G N 1.537 110.216 108.800 -0.201 0.000 2.256 827 G HA2 -0.109 3.852 3.960 0.001 0.000 0.272 827 G HA3 -0.109 3.852 3.960 0.001 0.000 0.272 827 G C 0.090 174.839 174.900 -0.251 0.000 1.076 827 G CA 0.210 45.187 45.100 -0.205 0.000 0.882 827 G HN 1.597 nan 8.290 nan 0.000 0.497 828 T N -1.723 112.685 114.554 -0.244 0.000 2.898 828 T HA 0.549 4.900 4.350 0.001 0.000 0.301 828 T C 0.075 174.681 174.700 -0.156 0.000 1.049 828 T CA -0.224 61.704 62.100 -0.286 0.000 1.095 828 T CB 2.298 70.952 68.868 -0.357 0.000 0.976 828 T HN 0.473 nan 8.240 nan 0.000 0.539 829 N N 0.426 119.071 118.700 -0.092 0.000 2.260 829 N HA 0.203 4.944 4.740 0.001 0.000 0.293 829 N C 0.021 175.641 175.510 0.183 0.000 1.058 829 N CA -0.567 52.499 53.050 0.026 0.000 0.824 829 N CB 2.242 40.726 38.487 -0.006 0.000 1.551 829 N HN 0.578 nan 8.380 nan 0.000 0.475 830 D N 1.294 121.811 120.400 0.195 0.000 2.182 830 D HA -0.171 4.470 4.640 0.001 0.000 0.201 830 D C 0.955 177.385 176.300 0.217 0.000 0.986 830 D CA 1.310 55.504 54.000 0.323 0.000 0.847 830 D CB 0.346 41.322 40.800 0.293 0.000 0.942 830 D HN 0.650 nan 8.370 nan 0.000 0.467 831 Q N 0.060 119.849 119.800 -0.018 0.000 2.403 831 Q HA 0.048 4.389 4.340 0.001 0.000 0.203 831 Q C -0.511 175.427 176.000 -0.103 0.000 0.932 831 Q CA 0.117 55.744 55.803 -0.293 0.000 0.945 831 Q CB 0.630 29.029 28.738 -0.564 0.000 1.045 831 Q HN -0.022 nan 8.270 nan 0.000 0.511 832 V N 1.567 121.512 119.914 0.053 0.000 2.357 832 V HA 0.506 4.627 4.120 0.001 0.000 0.284 832 V C -0.234 175.929 176.094 0.115 0.000 1.018 832 V CA -0.722 61.617 62.300 0.065 0.000 0.841 832 V CB 1.108 33.014 31.823 0.139 0.000 0.991 832 V HN 0.208 nan 8.190 nan 0.000 0.437 833 A N 5.138 127.921 122.820 -0.062 0.000 2.327 833 A HA 0.758 5.079 4.320 0.001 0.000 0.283 833 A C -0.692 176.962 177.584 0.117 0.000 1.127 833 A CA -0.368 51.691 52.037 0.036 0.000 0.810 833 A CB 0.751 19.617 19.000 -0.223 0.000 1.066 833 A HN 0.812 nan 8.150 nan 0.000 0.492 834 L N 2.892 124.210 121.223 0.158 0.000 2.275 834 L HA 0.531 4.872 4.340 0.001 0.000 0.288 834 L C 1.222 178.248 176.870 0.259 0.000 1.046 834 L CA 0.764 55.713 54.840 0.181 0.000 0.805 834 L CB 1.481 43.577 42.059 0.062 0.000 1.193 834 L HN 0.855 nan 8.230 nan 0.000 0.426 835 T N 1.072 115.826 114.554 0.333 0.000 2.955 835 T HA 0.590 4.941 4.350 0.001 0.000 0.251 835 T C 0.428 175.305 174.700 0.294 0.000 1.002 835 T CA 0.365 62.666 62.100 0.336 0.000 0.970 835 T CB 0.272 69.399 68.868 0.433 0.000 1.091 835 T HN 0.635 nan 8.240 nan 0.000 0.495 836 A N 0.587 123.582 122.820 0.292 0.000 2.414 836 A HA 0.776 5.097 4.320 0.001 0.000 0.306 836 A C -1.787 175.982 177.584 0.307 0.000 1.054 836 A CA -0.812 51.383 52.037 0.263 0.000 0.724 836 A CB 1.379 20.498 19.000 0.199 0.000 1.267 836 A HN 0.411 nan 8.150 nan 0.000 0.418 837 F N 2.826 122.838 119.950 0.103 0.000 3.090 837 F HA 0.454 4.982 4.527 0.001 0.000 0.381 837 F C -0.093 175.748 175.800 0.068 0.000 1.231 837 F CA -0.216 57.817 58.000 0.055 0.000 1.177 837 F CB 0.981 39.992 39.000 0.017 0.000 1.598 837 F HN 0.793 nan 8.300 nan 0.000 0.589 838 K N 3.296 123.652 120.400 -0.073 0.000 2.234 838 K HA 0.714 5.035 4.320 0.001 0.000 0.263 838 K C -1.182 175.266 176.600 -0.253 0.000 1.006 838 K CA -1.295 54.998 56.287 0.011 0.000 0.854 838 K CB 1.886 34.458 32.500 0.119 0.000 1.497 838 K HN 0.288 nan 8.250 nan 0.000 0.417 839 R N 0.500 120.707 120.500 -0.488 0.000 2.854 839 R HA 0.378 4.719 4.340 0.001 0.000 0.271 839 R C -0.798 175.309 176.300 -0.322 0.000 0.996 839 R CA -1.063 54.640 56.100 -0.661 0.000 0.961 839 R CB 2.110 31.619 30.300 -1.319 0.000 1.182 839 R HN 0.647 nan 8.270 nan 0.000 0.479 840 R N 1.336 121.711 120.500 -0.208 0.000 2.349 840 R HA 0.099 4.440 4.340 0.001 0.000 0.299 840 R C 1.203 177.407 176.300 -0.159 0.000 1.027 840 R CA -0.371 55.657 56.100 -0.120 0.000 0.958 840 R CB 0.795 31.021 30.300 -0.123 0.000 1.047 840 R HN 0.548 nan 8.270 nan 0.000 0.468 841 L N 5.020 126.089 121.223 -0.257 0.000 2.012 841 L HA -0.096 4.245 4.340 0.001 0.000 0.210 841 L C 2.006 178.651 176.870 -0.374 0.000 1.073 841 L CA 2.583 57.070 54.840 -0.587 0.000 0.748 841 L CB -0.583 41.262 42.059 -0.357 0.000 0.891 841 L HN 0.910 nan 8.230 nan 0.000 0.431 842 A N -0.147 122.550 122.820 -0.204 0.000 1.892 842 A HA -0.234 4.087 4.320 0.001 0.000 0.218 842 A C 1.654 179.178 177.584 -0.100 0.000 1.188 842 A CA 2.243 54.202 52.037 -0.130 0.000 0.631 842 A CB -0.689 18.256 19.000 -0.092 0.000 0.822 842 A HN 0.748 nan 8.150 nan 0.000 0.447 843 D N -4.472 115.869 120.400 -0.098 0.000 2.530 843 D HA 0.051 4.692 4.640 0.001 0.000 0.253 843 D C -0.003 176.256 176.300 -0.069 0.000 1.338 843 D CA 0.116 54.084 54.000 -0.054 0.000 0.806 843 D CB -0.925 39.852 40.800 -0.039 0.000 1.160 843 D HN 0.237 nan 8.370 nan 0.000 0.514 844 N N 0.292 118.914 118.700 -0.130 0.000 2.714 844 N HA -0.161 4.579 4.740 0.001 0.000 0.250 844 N C 0.166 175.488 175.510 -0.312 0.000 1.117 844 N CA 0.965 53.842 53.050 -0.289 0.000 0.719 844 N CB -1.540 36.676 38.487 -0.453 0.000 1.081 844 N HN 0.609 nan 8.380 nan 0.000 0.557 845 A N 0.358 123.083 122.820 -0.159 0.000 2.483 845 A HA 0.352 4.673 4.320 0.001 0.000 0.238 845 A C 0.766 178.265 177.584 -0.142 0.000 1.070 845 A CA -0.156 51.834 52.037 -0.078 0.000 0.770 845 A CB 0.394 19.373 19.000 -0.035 0.000 1.008 845 A HN 0.365 nan 8.150 nan 0.000 0.497 846 L N 3.153 124.335 121.223 -0.069 0.000 2.313 846 L HA 0.290 4.631 4.340 0.001 0.000 0.282 846 L C -0.634 176.181 176.870 -0.092 0.000 1.092 846 L CA -0.461 54.260 54.840 -0.199 0.000 0.831 846 L CB 0.233 42.096 42.059 -0.327 0.000 1.159 846 L HN 0.502 nan 8.230 nan 0.000 0.442 847 I N 4.225 124.700 120.570 -0.158 0.000 2.331 847 I HA 0.278 4.448 4.170 0.001 0.000 0.292 847 I C 0.446 176.536 176.117 -0.044 0.000 0.998 847 I CA -0.150 61.119 61.300 -0.051 0.000 1.267 847 I CB 1.453 39.415 38.000 -0.065 0.000 1.386 847 I HN 0.573 nan 8.210 nan 0.000 0.476 848 T N 4.337 118.967 114.554 0.127 0.000 2.888 848 T HA 0.724 5.074 4.350 0.001 0.000 0.284 848 T C -0.355 174.460 174.700 0.192 0.000 1.017 848 T CA -0.959 61.255 62.100 0.189 0.000 1.022 848 T CB 2.588 71.671 68.868 0.358 0.000 1.013 848 T HN 0.665 nan 8.240 nan 0.000 0.465 849 R N 1.174 121.803 120.500 0.214 0.000 2.575 849 R HA 0.650 4.990 4.340 0.001 0.000 0.293 849 R C -1.360 175.105 176.300 0.275 0.000 0.983 849 R CA -0.430 55.786 56.100 0.193 0.000 0.887 849 R CB 1.732 32.125 30.300 0.156 0.000 1.184 849 R HN 0.824 nan 8.270 nan 0.000 0.445 850 S N 2.844 118.695 115.700 0.253 0.000 2.570 850 S HA 0.587 5.058 4.470 0.001 0.000 0.286 850 S C -1.669 173.113 174.600 0.305 0.000 1.099 850 S CA -0.729 57.652 58.200 0.300 0.000 0.913 850 S CB 1.403 64.826 63.200 0.372 0.000 1.085 850 S HN 0.592 nan 8.310 nan 0.000 0.480 851 Y N -0.359 120.063 120.300 0.203 0.000 2.588 851 Y HA 0.668 5.219 4.550 0.001 0.000 0.343 851 Y C -0.934 175.067 175.900 0.168 0.000 1.065 851 Y CA -1.227 56.968 58.100 0.157 0.000 1.038 851 Y CB 0.866 39.472 38.460 0.244 0.000 1.297 851 Y HN 0.526 nan 8.280 nan 0.000 0.467 852 N N 2.536 121.338 118.700 0.171 0.000 2.420 852 N HA 0.127 4.867 4.740 0.001 0.000 0.262 852 N C 0.216 175.792 175.510 0.110 0.000 1.144 852 N CA -0.019 53.070 53.050 0.066 0.000 0.952 852 N CB 0.805 39.343 38.487 0.085 0.000 1.081 852 N HN 0.964 nan 8.380 nan 0.000 0.480 853 L N 1.196 122.405 121.223 -0.023 0.000 2.633 853 L HA -0.011 4.329 4.340 0.001 0.000 0.235 853 L C 0.892 178.006 176.870 0.407 0.000 1.163 853 L CA 0.455 55.422 54.840 0.212 0.000 0.859 853 L CB -0.318 41.931 42.059 0.318 0.000 0.973 853 L HN 0.388 nan 8.230 nan 0.000 0.451 854 S N -0.870 114.970 115.700 0.234 0.000 2.500 854 S HA 0.306 4.776 4.470 0.001 0.000 0.301 854 S C 0.658 175.378 174.600 0.200 0.000 1.092 854 S CA -0.756 57.616 58.200 0.287 0.000 1.030 854 S CB 1.143 64.467 63.200 0.206 0.000 1.031 854 S HN 0.087 nan 8.310 nan 0.000 0.483 855 N N 2.830 121.646 118.700 0.194 0.000 2.412 855 N HA 0.119 4.860 4.740 0.001 0.000 0.184 855 N C 0.100 175.672 175.510 0.103 0.000 1.101 855 N CA 0.434 53.563 53.050 0.133 0.000 0.881 855 N CB 0.214 38.770 38.487 0.115 0.000 0.969 855 N HN 0.583 nan 8.380 nan 0.000 0.459 856 D N -0.327 120.145 120.400 0.120 0.000 2.422 856 D HA 0.134 4.774 4.640 0.001 0.000 0.218 856 D C 0.057 176.407 176.300 0.083 0.000 1.047 856 D CA 0.651 54.709 54.000 0.097 0.000 0.885 856 D CB 1.016 41.883 40.800 0.112 0.000 1.035 856 D HN 0.100 nan 8.370 nan 0.000 0.502 857 K N 0.672 121.123 120.400 0.084 0.000 2.464 857 K HA 0.334 4.655 4.320 0.001 0.000 0.253 857 K C -0.050 176.565 176.600 0.025 0.000 0.933 857 K CA -0.503 55.816 56.287 0.054 0.000 0.801 857 K CB 2.533 35.071 32.500 0.063 0.000 1.271 857 K HN -0.063 nan 8.250 nan 0.000 0.430 858 T N -1.776 112.788 114.554 0.018 0.000 2.726 858 T HA 0.423 4.774 4.350 0.001 0.000 0.294 858 T C 0.630 175.325 174.700 -0.009 0.000 1.013 858 T CA -0.445 61.660 62.100 0.009 0.000 0.996 858 T CB 0.318 69.195 68.868 0.014 0.000 1.016 858 T HN 0.880 nan 8.240 nan 0.000 0.529 859 C N -0.429 118.871 119.300 -0.001 0.000 3.311 859 C HA 0.693 5.153 4.460 0.001 0.000 0.325 859 C C -0.633 174.381 174.990 0.041 0.000 1.352 859 C CA -1.260 57.755 59.018 -0.005 0.000 1.308 859 C CB 0.515 28.221 27.740 -0.056 0.000 1.619 859 C HN 1.040 nan 8.230 nan 0.000 0.469 860 D N 0.030 120.454 120.400 0.039 0.000 2.443 860 D HA 0.397 5.038 4.640 0.001 0.000 0.239 860 D C -1.056 175.326 176.300 0.137 0.000 1.136 860 D CA 0.357 54.397 54.000 0.067 0.000 0.879 860 D CB 0.403 41.219 40.800 0.027 0.000 1.195 860 D HN 0.539 nan 8.370 nan 0.000 0.443 861 F N 2.627 122.576 119.950 -0.003 0.000 2.382 861 F HA 0.329 4.857 4.527 0.001 0.000 0.361 861 F C 0.285 176.097 175.800 0.021 0.000 1.109 861 F CA -0.385 57.620 58.000 0.008 0.000 1.031 861 F CB 1.224 40.233 39.000 0.015 0.000 1.234 861 F HN 0.322 nan 8.300 nan 0.000 0.445 862 S N 5.034 120.452 115.700 -0.469 0.000 2.539 862 S HA 0.101 4.572 4.470 0.001 0.000 0.221 862 S C 0.023 174.362 174.600 -0.434 0.000 0.987 862 S CA -0.396 57.605 58.200 -0.330 0.000 0.929 862 S CB -0.111 62.971 63.200 -0.198 0.000 0.832 862 S HN 0.535 nan 8.310 nan 0.000 0.492 863 L N 3.157 123.873 121.223 -0.845 0.000 2.640 863 L HA 0.218 4.558 4.340 0.001 0.000 0.280 863 L C -0.010 176.776 176.870 -0.140 0.000 1.229 863 L CA 0.713 55.248 54.840 -0.508 0.000 0.919 863 L CB 0.257 42.001 42.059 -0.526 0.000 1.168 863 L HN 0.055 nan 8.230 nan 0.000 0.496 864 S N 4.742 120.338 115.700 -0.173 0.000 2.547 864 S HA 0.706 5.177 4.470 0.001 0.000 0.281 864 S C -1.162 173.206 174.600 -0.387 0.000 1.118 864 S CA -0.727 57.391 58.200 -0.136 0.000 0.947 864 S CB 0.927 64.100 63.200 -0.045 0.000 1.053 864 S HN 0.510 nan 8.310 nan 0.000 0.482 865 L N 5.675 126.504 121.223 -0.657 0.000 2.276 865 L HA 0.510 4.851 4.340 0.001 0.000 0.286 865 L C -2.305 174.508 176.870 -0.095 0.000 1.024 865 L CA -1.725 52.807 54.840 -0.513 0.000 0.826 865 L CB 1.312 42.794 42.059 -0.963 0.000 1.211 865 L HN 0.451 nan 8.230 nan 0.000 0.422 866 P HA 0.156 nan 4.420 nan 0.000 0.265 866 P C -0.082 177.312 177.300 0.157 0.000 1.193 866 P CA 0.321 63.440 63.100 0.032 0.000 0.765 866 P CB 0.402 32.083 31.700 -0.031 0.000 0.823 867 N N -1.000 117.765 118.700 0.107 0.000 2.965 867 N HA -0.201 4.540 4.740 0.001 0.000 0.232 867 N C -0.710 174.760 175.510 -0.067 0.000 0.913 867 N CA 1.261 54.315 53.050 0.006 0.000 0.981 867 N CB -1.923 36.518 38.487 -0.078 0.000 1.077 867 N HN 0.484 nan 8.380 nan 0.000 0.589 868 Y N 0.297 120.667 120.300 0.118 0.000 2.524 868 Y HA 0.576 5.127 4.550 0.001 0.000 0.344 868 Y C 0.470 176.582 175.900 0.352 0.000 1.012 868 Y CA -0.938 57.308 58.100 0.244 0.000 1.068 868 Y CB 1.372 40.025 38.460 0.322 0.000 1.249 868 Y HN -0.170 nan 8.280 nan 0.000 0.468 869 N N 0.796 119.776 118.700 0.466 0.000 2.319 869 N HA 0.712 5.453 4.740 0.001 0.000 0.305 869 N C -1.263 174.294 175.510 0.079 0.000 1.103 869 N CA -0.701 52.513 53.050 0.273 0.000 0.815 869 N CB 2.115 40.669 38.487 0.112 0.000 1.288 869 N HN 0.711 nan 8.380 nan 0.000 0.493 870 A N 0.994 123.600 122.820 -0.355 0.000 2.340 870 A HA 0.693 5.013 4.320 0.001 0.000 0.331 870 A C -0.302 177.012 177.584 -0.450 0.000 1.140 870 A CA -0.602 50.914 52.037 -0.868 0.000 0.801 870 A CB 0.882 18.802 19.000 -1.800 0.000 1.234 870 A HN 0.718 nan 8.150 nan 0.000 0.469 871 K N 0.599 120.761 120.400 -0.397 0.000 2.443 871 K HA 0.725 5.046 4.320 0.001 0.000 0.251 871 K C -1.287 175.161 176.600 -0.254 0.000 0.972 871 K CA -0.824 55.308 56.287 -0.259 0.000 0.833 871 K CB 1.752 34.155 32.500 -0.161 0.000 1.317 871 K HN 0.253 nan 8.250 nan 0.000 0.441 872 V N 2.008 121.809 119.914 -0.189 0.000 2.614 872 V HA 0.205 4.326 4.120 0.001 0.000 0.291 872 V C 0.320 176.331 176.094 -0.137 0.000 1.049 872 V CA 0.100 62.301 62.300 -0.166 0.000 1.038 872 V CB 0.841 32.580 31.823 -0.140 0.000 0.980 872 V HN 1.042 nan 8.190 nan 0.000 0.481 873 T N 1.285 115.761 114.554 -0.129 0.000 2.907 873 T HA 0.538 4.889 4.350 0.001 0.000 0.290 873 T C -0.270 174.368 174.700 -0.103 0.000 1.066 873 T CA -1.000 61.036 62.100 -0.107 0.000 1.012 873 T CB 1.897 70.705 68.868 -0.099 0.000 1.184 873 T HN 0.673 nan 8.240 nan 0.000 0.522 874 N N 0.600 119.245 118.700 -0.091 0.000 2.374 874 N HA 0.223 4.964 4.740 0.001 0.000 0.284 874 N C 1.121 176.571 175.510 -0.099 0.000 1.280 874 N CA -0.984 52.010 53.050 -0.095 0.000 0.963 874 N CB -0.337 38.103 38.487 -0.079 0.000 1.141 874 N HN 0.635 nan 8.380 nan 0.000 0.565 875 L N -1.017 120.141 121.223 -0.108 0.000 2.201 875 L HA 0.015 4.355 4.340 0.001 0.000 0.212 875 L C 1.705 178.523 176.870 -0.088 0.000 1.105 875 L CA 0.837 55.608 54.840 -0.114 0.000 0.775 875 L CB -0.405 41.574 42.059 -0.133 0.000 0.913 875 L HN 0.420 nan 8.230 nan 0.000 0.440 876 L N -0.534 120.646 121.223 -0.073 0.000 2.612 876 L HA 0.026 4.367 4.340 0.001 0.000 0.230 876 L C 0.456 177.287 176.870 -0.065 0.000 1.140 876 L CA 0.166 54.969 54.840 -0.062 0.000 0.896 876 L CB -0.384 41.650 42.059 -0.043 0.000 1.065 876 L HN 0.299 nan 8.230 nan 0.000 0.447 877 E N -0.804 119.353 120.200 -0.072 0.000 3.413 877 E HA -0.236 4.114 4.350 0.001 0.000 0.300 877 E C 0.415 176.972 176.600 -0.072 0.000 0.891 877 E CA 0.496 56.852 56.400 -0.074 0.000 1.050 877 E CB -0.999 28.657 29.700 -0.074 0.000 1.534 877 E HN 0.377 nan 8.360 nan 0.000 0.436 878 K N 1.890 122.250 120.400 -0.067 0.000 2.276 878 K HA 0.090 4.410 4.320 0.001 0.000 0.285 878 K C -0.355 176.205 176.600 -0.067 0.000 1.062 878 K CA -0.542 55.708 56.287 -0.061 0.000 0.918 878 K CB 0.645 33.114 32.500 -0.051 0.000 1.055 878 K HN -0.089 nan 8.250 nan 0.000 0.477 879 D N 2.211 122.571 120.400 -0.067 0.000 2.533 879 D HA -0.081 4.559 4.640 0.001 0.000 0.236 879 D C 0.357 176.617 176.300 -0.068 0.000 1.137 879 D CA 0.586 54.542 54.000 -0.072 0.000 0.867 879 D CB 0.950 41.712 40.800 -0.065 0.000 1.170 879 D HN 0.591 nan 8.370 nan 0.000 0.474 880 S N 1.583 117.238 115.700 -0.076 0.000 2.767 880 S HA 0.391 4.862 4.470 0.001 0.000 0.300 880 S C 0.586 175.147 174.600 -0.066 0.000 1.123 880 S CA -0.695 57.464 58.200 -0.069 0.000 0.992 880 S CB 1.888 65.044 63.200 -0.075 0.000 1.138 880 S HN 0.318 nan 8.310 nan 0.000 0.550 881 K N -0.144 120.221 120.400 -0.058 0.000 2.358 881 K HA 0.198 4.518 4.320 0.001 0.000 0.197 881 K C 0.582 177.149 176.600 -0.056 0.000 1.025 881 K CA -0.110 56.145 56.287 -0.053 0.000 1.104 881 K CB 0.186 32.661 32.500 -0.042 0.000 0.855 881 K HN 0.574 nan 8.250 nan 0.000 0.531 882 Q N 1.945 121.707 119.800 -0.064 0.000 2.364 882 Q HA 0.026 4.367 4.340 0.001 0.000 0.267 882 Q C -0.412 175.545 176.000 -0.071 0.000 0.999 882 Q CA -0.123 55.641 55.803 -0.066 0.000 0.886 882 Q CB 0.842 29.535 28.738 -0.075 0.000 1.243 882 Q HN 0.171 nan 8.270 nan 0.000 0.415 883 S N 2.303 117.967 115.700 -0.060 0.000 2.592 883 S HA 0.213 4.684 4.470 0.001 0.000 0.271 883 S C -0.187 174.373 174.600 -0.067 0.000 1.326 883 S CA -0.815 57.350 58.200 -0.058 0.000 1.024 883 S CB 1.237 64.413 63.200 -0.040 0.000 0.921 883 S HN 0.590 nan 8.310 nan 0.000 0.527 884 T N 4.652 119.166 114.554 -0.066 0.000 2.817 884 T HA 0.298 4.648 4.350 0.001 0.000 0.295 884 T C -1.875 172.819 174.700 -0.011 0.000 0.958 884 T CA -0.573 61.492 62.100 -0.058 0.000 1.157 884 T CB -0.279 68.556 68.868 -0.056 0.000 0.898 884 T HN 0.599 nan 8.240 nan 0.000 0.536 885 P HA 0.230 nan 4.420 nan 0.000 0.274 885 P C 0.437 177.807 177.300 0.117 0.000 1.237 885 P CA -0.562 62.539 63.100 0.002 0.000 0.793 885 P CB 0.845 32.502 31.700 -0.073 0.000 0.977 886 S N -0.677 115.086 115.700 0.105 0.000 2.524 886 S HA 0.124 4.595 4.470 0.001 0.000 0.215 886 S C 0.536 175.232 174.600 0.159 0.000 0.986 886 S CA -0.137 58.150 58.200 0.145 0.000 0.911 886 S CB -0.038 63.211 63.200 0.080 0.000 0.805 886 S HN 0.539 nan 8.310 nan 0.000 0.501 887 Q N 0.230 120.102 119.800 0.119 0.000 2.421 887 Q HA 0.575 4.916 4.340 0.001 0.000 0.280 887 Q C -1.601 174.428 176.000 0.048 0.000 1.085 887 Q CA -0.706 55.156 55.803 0.099 0.000 0.807 887 Q CB 2.253 31.020 28.738 0.048 0.000 1.405 887 Q HN 0.259 nan 8.270 nan 0.000 0.419 888 L N 1.279 122.529 121.223 0.045 0.000 2.282 888 L HA 0.523 4.864 4.340 0.001 0.000 0.288 888 L C 0.692 177.556 176.870 -0.010 0.000 1.033 888 L CA -0.638 54.187 54.840 -0.025 0.000 0.807 888 L CB 1.196 43.249 42.059 -0.010 0.000 1.209 888 L HN 0.759 nan 8.230 nan 0.000 0.423 889 G N 2.622 111.406 108.800 -0.026 0.000 2.664 889 G HA2 0.075 4.036 3.960 0.001 0.000 0.242 889 G HA3 0.075 4.036 3.960 0.001 0.000 0.242 889 G C -0.176 174.729 174.900 0.009 0.000 1.225 889 G CA -0.562 44.532 45.100 -0.010 0.000 0.849 889 G HN 0.604 nan 8.290 nan 0.000 0.581 890 K N 0.430 120.842 120.400 0.020 0.000 2.530 890 K HA 0.240 4.561 4.320 0.001 0.000 0.280 890 K C 1.158 177.788 176.600 0.051 0.000 1.004 890 K CA 0.886 57.198 56.287 0.042 0.000 1.071 890 K CB 0.293 32.819 32.500 0.042 0.000 0.876 890 K HN 1.078 nan 8.250 nan 0.000 0.487 891 A N 2.098 124.973 122.820 0.092 0.000 2.790 891 A HA -0.265 4.056 4.320 0.001 0.000 0.277 891 A C 0.316 177.952 177.584 0.087 0.000 1.435 891 A CA 1.422 53.533 52.037 0.124 0.000 0.877 891 A CB -1.760 17.295 19.000 0.092 0.000 1.007 891 A HN 0.826 nan 8.150 nan 0.000 0.613 892 E N -0.423 119.810 120.200 0.056 0.000 2.344 892 E HA 0.461 4.812 4.350 0.001 0.000 0.270 892 E C -0.192 176.417 176.600 0.014 0.000 1.021 892 E CA -0.449 55.947 56.400 -0.006 0.000 0.887 892 E CB 0.288 29.956 29.700 -0.052 0.000 0.997 892 E HN 0.534 nan 8.360 nan 0.000 0.429 893 I N 5.540 126.065 120.570 -0.075 0.000 2.321 893 I HA 0.204 4.375 4.170 0.001 0.000 0.291 893 I C -0.636 175.378 176.117 -0.170 0.000 0.998 893 I CA -0.743 60.476 61.300 -0.135 0.000 1.227 893 I CB 1.003 38.765 38.000 -0.397 0.000 1.368 893 I HN 0.386 nan 8.210 nan 0.000 0.466 894 L N 6.754 127.888 121.223 -0.148 0.000 2.343 894 L HA 0.551 4.892 4.340 0.001 0.000 0.278 894 L C -0.458 176.338 176.870 -0.122 0.000 0.996 894 L CA 0.225 54.942 54.840 -0.205 0.000 0.831 894 L CB 1.737 43.553 42.059 -0.406 0.000 1.232 894 L HN 0.485 nan 8.230 nan 0.000 0.413 895 T N 6.315 120.796 114.554 -0.120 0.000 2.779 895 T HA 0.681 5.031 4.350 0.001 0.000 0.280 895 T C -0.449 174.201 174.700 -0.084 0.000 0.987 895 T CA -0.323 61.736 62.100 -0.068 0.000 0.966 895 T CB 0.904 69.719 68.868 -0.089 0.000 0.933 895 T HN 0.422 nan 8.240 nan 0.000 0.442 896 L N 2.054 123.253 121.223 -0.040 0.000 2.381 896 L HA 0.822 5.162 4.340 0.001 0.000 0.268 896 L C -0.111 176.661 176.870 -0.164 0.000 0.997 896 L CA -1.361 53.381 54.840 -0.164 0.000 0.818 896 L CB 1.896 43.818 42.059 -0.229 0.000 1.310 896 L HN 0.671 nan 8.230 nan 0.000 0.416 897 A N 1.792 124.457 122.820 -0.258 0.000 2.288 897 A HA 0.686 5.007 4.320 0.001 0.000 0.320 897 A C -1.779 175.660 177.584 -0.242 0.000 1.217 897 A CA -0.274 51.667 52.037 -0.159 0.000 0.840 897 A CB 0.343 19.277 19.000 -0.111 0.000 1.179 897 A HN 0.645 nan 8.150 nan 0.000 0.504 898 W N 2.016 123.295 121.300 -0.035 0.000 2.529 898 W HA 0.618 5.279 4.660 0.001 0.000 0.321 898 W C 0.121 176.763 176.519 0.206 0.000 1.047 898 W CA -0.292 57.089 57.345 0.060 0.000 1.216 898 W CB 1.768 31.185 29.460 -0.072 0.000 1.357 898 W HN 0.529 nan 8.180 nan 0.000 0.489 899 K N 2.248 122.933 120.400 0.474 0.000 2.422 899 K HA 0.372 4.693 4.320 0.001 0.000 0.251 899 K C -0.376 176.344 176.600 0.199 0.000 0.933 899 K CA -1.283 55.199 56.287 0.325 0.000 0.798 899 K CB 2.461 35.042 32.500 0.136 0.000 1.238 899 K HN 0.276 nan 8.250 nan 0.000 0.428 900 K N 1.929 122.286 120.400 -0.073 0.000 2.469 900 K HA -0.012 4.309 4.320 0.001 0.000 0.274 900 K C 0.445 176.977 176.600 -0.113 0.000 0.983 900 K CA 0.387 56.476 56.287 -0.331 0.000 0.974 900 K CB 0.588 32.892 32.500 -0.326 0.000 0.913 900 K HN 0.618 nan 8.250 nan 0.000 0.493 901 Q N 0.000 119.735 119.800 -0.108 0.000 2.315 901 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 901 Q CA 0.000 55.786 55.803 -0.028 0.000 1.022 901 Q CB 0.000 28.741 28.738 0.004 0.000 1.108 901 Q HN 0.000 nan 8.270 nan 0.000 0.481