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 3dp8_1_B DATA FIRST_RESID 3 DATA SEQUENCE PDEITTAWPV NVGPLNPHLY TPNQMFAQSM VYEPLVKYQA DGSVIPWLAK DATA SEQUENCE SWTHSEDGKT WTFTLRDDVK FSNGEPFDAE AAAENFRAVL DNRQRHAWLE DATA SEQUENCE LANQIVDVKA LSKTELQITL KSAYYPFLQE LALPRPFRFI APSQFKNHET DATA SEQUENCE MNGIKAPIGT GPWILQESKL NQYDVFVRNE NYWGEKPAIK KITFNVIPDP DATA SEQUENCE TTRAVAFETG DIDLLYGNEG LLPLDTFARF SQNPAYHTQL SQPIETVMLA DATA SEQUENCE LNTAKAPTNE LAVREALNYA VNKKSLIDNA LYGTQQVADT LFAPSVPYAN DATA SEQUENCE LGLKPXQYDP QKAKALLEKA GWTLPAGKDI REKNGQPLRI ELSFIGTDAL DATA SEQUENCE SKSMAEIIQA DMRQIGADVS LIGEEESSIY ARQRDGRFGM IFHRTWGAPY DATA SEQUENCE DPHAFLSSMR VPSHADFQAQ QGLADKPLID KEIGEVLATH DETQRQALYR DATA SEQUENCE DILTRLHDEA VYLPISYISM MVVSKPELGN IPYAPIATEI PFEQIKPV 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.302 177.300 0.004 0.000 1.155 3 P CA 0.000 63.097 63.100 -0.006 0.000 0.800 3 P CB 0.000 31.697 31.700 -0.005 0.000 0.726 4 D N 0.357 120.765 120.400 0.013 0.000 2.265 4 D HA -0.173 4.467 4.640 0.001 0.000 0.165 4 D C -0.145 176.166 176.300 0.019 0.000 1.190 4 D CA 1.946 55.959 54.000 0.022 0.000 1.121 4 D CB -1.321 39.495 40.800 0.028 0.000 1.158 4 D HN 0.458 nan 8.370 nan 0.000 0.481 5 E N 0.772 120.969 120.200 -0.005 0.000 2.176 5 E HA 0.617 4.968 4.350 0.001 0.000 0.267 5 E C 0.200 176.766 176.600 -0.057 0.000 0.893 5 E CA -0.804 55.580 56.400 -0.027 0.000 0.761 5 E CB 2.102 31.784 29.700 -0.030 0.000 1.133 5 E HN 0.488 nan 8.360 nan 0.000 0.409 6 I N -0.436 120.073 120.570 -0.102 0.000 2.693 6 I HA 0.652 4.823 4.170 0.001 0.000 0.303 6 I C -0.367 175.638 176.117 -0.186 0.000 1.025 6 I CA -0.611 60.614 61.300 -0.124 0.000 1.086 6 I CB 2.252 40.189 38.000 -0.105 0.000 1.268 6 I HN 0.405 nan 8.210 nan 0.000 0.440 7 T N 2.169 116.631 114.554 -0.154 0.000 2.887 7 T HA 0.678 5.028 4.350 0.001 0.000 0.288 7 T C -0.533 174.069 174.700 -0.162 0.000 1.021 7 T CA -0.229 61.761 62.100 -0.183 0.000 1.000 7 T CB 2.103 70.889 68.868 -0.137 0.000 1.034 7 T HN 0.991 nan 8.240 nan 0.000 0.467 8 T N 0.772 115.196 114.554 -0.217 0.000 2.647 8 T HA 0.815 5.166 4.350 0.001 0.000 0.295 8 T C -1.672 173.025 174.700 -0.006 0.000 1.126 8 T CA -0.035 61.975 62.100 -0.150 0.000 1.040 8 T CB 1.218 69.883 68.868 -0.338 0.000 1.472 8 T HN 1.294 nan 8.240 nan 0.000 0.500 9 A N 0.488 123.393 122.820 0.143 0.000 2.556 9 A HA 0.792 5.113 4.320 0.001 0.000 0.294 9 A C -2.010 175.877 177.584 0.504 0.000 1.091 9 A CA -0.669 51.535 52.037 0.280 0.000 0.704 9 A CB 1.525 20.641 19.000 0.194 0.000 1.300 9 A HN 0.718 nan 8.150 nan 0.000 0.406 10 W N 1.422 122.850 121.300 0.213 0.000 3.213 10 W HA 0.403 5.064 4.660 0.001 0.000 0.318 10 W C -2.720 173.887 176.519 0.147 0.000 1.248 10 W CA -1.755 55.707 57.345 0.195 0.000 1.187 10 W CB 2.245 31.881 29.460 0.294 0.000 1.403 10 W HN 0.512 nan 8.180 nan 0.000 0.556 11 P HA -0.048 nan 4.420 nan 0.000 0.230 11 P C -0.024 177.276 177.300 -0.001 0.000 1.158 11 P CA 1.082 64.086 63.100 -0.160 0.000 0.769 11 P CB 0.671 32.184 31.700 -0.311 0.000 0.807 12 V N -1.117 118.890 119.914 0.156 0.000 3.147 12 V HA 0.237 4.358 4.120 0.001 0.000 0.306 12 V C -0.593 175.691 176.094 0.316 0.000 1.209 12 V CA -1.156 61.256 62.300 0.187 0.000 1.023 12 V CB 2.443 34.343 31.823 0.128 0.000 1.059 12 V HN -0.186 nan 8.190 nan 0.000 0.435 13 N N 0.991 119.801 118.700 0.185 0.000 2.381 13 N HA 0.041 4.781 4.740 0.001 0.000 0.241 13 N C 1.130 176.709 175.510 0.115 0.000 1.279 13 N CA 0.729 53.865 53.050 0.144 0.000 0.896 13 N CB 1.565 40.083 38.487 0.052 0.000 1.118 13 N HN 0.709 nan 8.380 nan 0.000 0.438 14 V N -1.132 118.789 119.914 0.011 0.000 2.970 14 V HA 0.166 4.287 4.120 0.001 0.000 0.260 14 V C 1.115 177.141 176.094 -0.114 0.000 1.100 14 V CA 0.956 63.172 62.300 -0.140 0.000 1.122 14 V CB -1.362 30.328 31.823 -0.222 0.000 0.721 14 V HN 0.955 nan 8.190 nan 0.000 0.483 15 G N 0.010 108.777 108.800 -0.056 0.000 2.685 15 G HA2 -0.119 3.841 3.960 0.001 0.000 0.387 15 G HA3 -0.119 3.841 3.960 0.001 0.000 0.387 15 G C -1.372 173.496 174.900 -0.053 0.000 1.324 15 G CA -0.267 44.804 45.100 -0.047 0.000 0.878 15 G HN 0.296 nan 8.290 nan 0.000 0.527 16 P HA 0.032 nan 4.420 nan 0.000 0.217 16 P C 1.297 178.588 177.300 -0.015 0.000 1.148 16 P CA 1.609 64.690 63.100 -0.032 0.000 0.828 16 P CB -0.113 31.570 31.700 -0.030 0.000 0.783 17 L N -2.653 118.562 121.223 -0.013 0.000 3.512 17 L HA -0.178 4.163 4.340 0.001 0.000 0.446 17 L C 0.157 177.071 176.870 0.072 0.000 1.290 17 L CA -0.435 54.441 54.840 0.061 0.000 0.871 17 L CB -2.379 39.747 42.059 0.112 0.000 1.767 17 L HN 0.216 nan 8.230 nan 0.000 0.855 18 N N 2.577 121.240 118.700 -0.062 0.000 2.420 18 N HA 0.181 4.921 4.740 0.001 0.000 0.262 18 N C -1.036 174.250 175.510 -0.373 0.000 1.144 18 N CA -1.568 51.370 53.050 -0.186 0.000 0.952 18 N CB 1.243 39.645 38.487 -0.143 0.000 1.081 18 N HN 0.079 nan 8.380 nan 0.000 0.480 19 P HA -0.051 nan 4.420 nan 0.000 0.234 19 P C 0.018 176.944 177.300 -0.624 0.000 1.167 19 P CA 1.140 63.661 63.100 -0.966 0.000 0.763 19 P CB 0.201 30.898 31.700 -1.671 0.000 0.835 20 H N -1.857 116.979 119.070 -0.389 0.000 2.672 20 H HA 0.297 4.854 4.556 0.001 0.000 0.277 20 H C 0.770 175.944 175.328 -0.257 0.000 1.074 20 H CA -0.263 55.583 56.048 -0.338 0.000 1.173 20 H CB 0.517 30.126 29.762 -0.256 0.000 1.558 20 H HN 0.070 nan 8.280 nan 0.000 0.539 21 L N -0.531 120.553 121.223 -0.232 0.000 2.235 21 L HA 0.325 4.666 4.340 0.001 0.000 0.260 21 L C 0.341 176.910 176.870 -0.502 0.000 1.025 21 L CA -0.970 53.726 54.840 -0.241 0.000 0.836 21 L CB 0.433 42.472 42.059 -0.034 0.000 1.395 21 L HN -0.021 nan 8.230 nan 0.000 0.443 22 Y N -0.744 119.536 120.300 -0.033 0.000 3.052 22 Y HA 0.344 4.894 4.550 0.001 0.000 0.361 22 Y C 1.090 176.969 175.900 -0.036 0.000 1.255 22 Y CA -0.543 57.522 58.100 -0.058 0.000 1.111 22 Y CB -0.467 37.928 38.460 -0.108 0.000 1.361 22 Y HN 0.603 nan 8.280 nan 0.000 0.810 23 T N 0.751 115.409 114.554 0.174 0.000 2.946 23 T HA 0.008 4.358 4.350 0.001 0.000 0.312 23 T C -1.780 172.957 174.700 0.063 0.000 1.066 23 T CA -1.012 61.156 62.100 0.113 0.000 1.138 23 T CB 0.343 69.309 68.868 0.164 0.000 1.014 23 T HN 0.422 nan 8.240 nan 0.000 0.544 24 P HA 0.025 nan 4.420 nan 0.000 0.245 24 P C -0.025 177.279 177.300 0.007 0.000 1.212 24 P CA -0.116 62.993 63.100 0.015 0.000 0.774 24 P CB 0.060 31.759 31.700 -0.002 0.000 0.999 25 N N 2.000 120.692 118.700 -0.014 0.000 2.412 25 N HA -0.005 4.735 4.740 0.001 0.000 0.254 25 N C 0.281 175.749 175.510 -0.069 0.000 1.232 25 N CA 0.542 53.554 53.050 -0.062 0.000 0.880 25 N CB 0.448 38.879 38.487 -0.093 0.000 1.076 25 N HN 0.184 nan 8.380 nan 0.000 0.458 26 Q N 2.532 122.226 119.800 -0.176 0.000 2.278 26 Q HA 0.231 4.571 4.340 0.001 0.000 0.257 26 Q C 1.277 177.052 176.000 -0.376 0.000 0.928 26 Q CA -0.294 55.365 55.803 -0.241 0.000 0.932 26 Q CB 1.633 30.093 28.738 -0.464 0.000 1.221 26 Q HN 0.555 nan 8.270 nan 0.000 0.434 27 M N 1.674 121.174 119.600 -0.165 0.000 2.108 27 M HA -0.197 4.284 4.480 0.001 0.000 0.261 27 M C 1.742 177.938 176.300 -0.174 0.000 1.066 27 M CA 1.899 57.127 55.300 -0.119 0.000 1.107 27 M CB -0.692 31.903 32.600 -0.008 0.000 1.356 27 M HN 0.649 nan 8.290 nan 0.000 0.406 28 F N 0.847 120.707 119.950 -0.149 0.000 2.154 28 F HA -0.094 4.433 4.527 0.001 0.000 0.301 28 F C 2.320 177.972 175.800 -0.247 0.000 1.087 28 F CA 1.203 59.070 58.000 -0.222 0.000 1.274 28 F CB -0.963 37.810 39.000 -0.379 0.000 1.009 28 F HN 0.023 nan 8.300 nan 0.000 0.485 29 A N 0.509 122.608 122.820 -1.201 0.000 1.874 29 A HA -0.104 4.216 4.320 0.001 0.000 0.214 29 A C 2.211 179.610 177.584 -0.308 0.000 1.189 29 A CA 1.201 52.742 52.037 -0.827 0.000 0.615 29 A CB -0.944 17.470 19.000 -0.978 0.000 0.830 29 A HN 0.573 nan 8.150 nan 0.000 0.443 30 Q N 0.218 119.896 119.800 -0.203 0.000 2.173 30 Q HA -0.170 4.170 4.340 0.001 0.000 0.208 30 Q C 2.226 178.280 176.000 0.089 0.000 0.989 30 Q CA 1.958 57.796 55.803 0.058 0.000 0.872 30 Q CB -0.288 28.465 28.738 0.024 0.000 0.909 30 Q HN 0.633 nan 8.270 nan 0.000 0.420 31 S N 0.080 115.782 115.700 0.002 0.000 2.481 31 S HA -0.038 4.433 4.470 0.001 0.000 0.231 31 S C 1.723 176.367 174.600 0.074 0.000 0.996 31 S CA 0.769 59.001 58.200 0.053 0.000 0.942 31 S CB -0.028 63.198 63.200 0.044 0.000 0.768 31 S HN 0.312 nan 8.310 nan 0.000 0.520 32 M N 0.274 119.886 119.600 0.020 0.000 2.193 32 M HA -0.014 4.466 4.480 0.001 0.000 0.265 32 M C 1.859 178.240 176.300 0.135 0.000 1.071 32 M CA 1.184 56.559 55.300 0.124 0.000 1.140 32 M CB -0.151 32.340 32.600 -0.182 0.000 1.369 32 M HN 0.165 nan 8.290 nan 0.000 0.423 33 V N -1.748 118.142 119.914 -0.041 0.000 2.575 33 V HA -0.044 4.077 4.120 0.001 0.000 0.242 33 V C 0.262 176.179 176.094 -0.294 0.000 1.045 33 V CA 0.716 62.888 62.300 -0.214 0.000 1.065 33 V CB -0.229 31.335 31.823 -0.432 0.000 0.717 33 V HN 0.207 nan 8.190 nan 0.000 0.467 34 Y N 0.258 120.635 120.300 0.129 0.000 2.387 34 Y HA 0.620 5.171 4.550 0.001 0.000 0.330 34 Y C 0.287 176.281 175.900 0.157 0.000 1.133 34 Y CA -0.684 57.498 58.100 0.138 0.000 1.152 34 Y CB 1.026 39.516 38.460 0.049 0.000 1.215 34 Y HN 0.115 nan 8.280 nan 0.000 0.466 35 E N 3.469 123.908 120.200 0.397 0.000 2.312 35 E HA 0.441 4.792 4.350 0.001 0.000 0.267 35 E C -2.765 174.053 176.600 0.364 0.000 0.894 35 E CA -2.309 54.331 56.400 0.399 0.000 0.773 35 E CB 2.642 32.684 29.700 0.568 0.000 1.241 35 E HN 0.274 nan 8.360 nan 0.000 0.432 36 P HA 0.260 nan 4.420 nan 0.000 0.287 36 P C 0.344 177.888 177.300 0.406 0.000 1.292 36 P CA -0.533 62.737 63.100 0.285 0.000 0.879 36 P CB 1.223 32.981 31.700 0.097 0.000 1.214 37 L N -0.733 120.683 121.223 0.321 0.000 2.275 37 L HA 0.080 4.420 4.340 0.001 0.000 0.215 37 L C 0.933 177.890 176.870 0.146 0.000 1.119 37 L CA 1.089 56.022 54.840 0.156 0.000 0.790 37 L CB -0.198 41.776 42.059 -0.142 0.000 0.919 37 L HN 0.123 nan 8.230 nan 0.000 0.443 38 V N -0.260 119.720 119.914 0.110 0.000 2.851 38 V HA 0.304 4.424 4.120 0.001 0.000 0.307 38 V C -0.801 175.332 176.094 0.066 0.000 1.129 38 V CA -0.898 61.449 62.300 0.078 0.000 0.932 38 V CB 2.879 34.575 31.823 -0.211 0.000 1.024 38 V HN -0.000 nan 8.190 nan 0.000 0.426 39 K N 3.500 123.950 120.400 0.083 0.000 2.292 39 K HA 0.452 4.772 4.320 0.001 0.000 0.257 39 K C -1.309 175.294 176.600 0.006 0.000 0.940 39 K CA -0.640 55.584 56.287 -0.104 0.000 0.811 39 K CB 1.502 33.714 32.500 -0.481 0.000 1.120 39 K HN 0.664 nan 8.250 nan 0.000 0.428 40 Y N 3.056 123.295 120.300 -0.102 0.000 2.497 40 Y HA 0.001 4.551 4.550 0.001 0.000 0.334 40 Y C -0.253 175.630 175.900 -0.028 0.000 1.199 40 Y CA 0.633 58.705 58.100 -0.047 0.000 1.425 40 Y CB 0.732 39.164 38.460 -0.047 0.000 1.291 40 Y HN 0.469 nan 8.280 nan 0.000 0.562 41 Q N 3.577 122.889 119.800 -0.813 0.000 2.399 41 Q HA 0.511 4.852 4.340 0.001 0.000 0.276 41 Q C 0.529 176.078 176.000 -0.751 0.000 1.098 41 Q CA -0.135 55.349 55.803 -0.532 0.000 0.827 41 Q CB 1.983 30.570 28.738 -0.252 0.000 1.386 41 Q HN 0.858 nan 8.270 nan 0.000 0.443 42 A N 1.470 124.092 122.820 -0.330 0.000 1.933 42 A HA -0.192 4.129 4.320 0.001 0.000 0.218 42 A C 1.155 178.653 177.584 -0.144 0.000 1.175 42 A CA 2.104 54.036 52.037 -0.174 0.000 0.628 42 A CB -0.467 18.506 19.000 -0.045 0.000 0.814 42 A HN 0.798 nan 8.150 nan 0.000 0.444 43 D N -1.523 118.793 120.400 -0.139 0.000 2.390 43 D HA 0.206 4.846 4.640 0.001 0.000 0.235 43 D C 1.195 177.452 176.300 -0.071 0.000 1.040 43 D CA 1.145 55.098 54.000 -0.078 0.000 0.923 43 D CB -0.798 39.975 40.800 -0.044 0.000 0.886 43 D HN 0.811 nan 8.370 nan 0.000 0.532 44 G N -0.406 108.304 108.800 -0.150 0.000 2.253 44 G HA2 -0.322 3.639 3.960 0.001 0.000 0.251 44 G HA3 -0.322 3.639 3.960 0.001 0.000 0.251 44 G C 0.557 175.491 174.900 0.058 0.000 0.998 44 G CA 0.659 45.781 45.100 0.036 0.000 0.621 44 G HN 0.904 nan 8.290 nan 0.000 0.524 45 S N -0.981 114.691 115.700 -0.048 0.000 2.652 45 S HA 0.787 5.258 4.470 0.001 0.000 0.267 45 S C 0.123 174.732 174.600 0.014 0.000 1.201 45 S CA 0.004 58.225 58.200 0.034 0.000 0.996 45 S CB 2.347 65.579 63.200 0.054 0.000 1.054 45 S HN 1.125 nan 8.310 nan 0.000 0.561 46 V N 0.970 120.957 119.914 0.122 0.000 2.914 46 V HA 0.662 4.782 4.120 0.001 0.000 0.314 46 V C -0.389 175.844 176.094 0.233 0.000 1.084 46 V CA -0.920 61.475 62.300 0.159 0.000 0.963 46 V CB 1.645 33.568 31.823 0.166 0.000 1.025 46 V HN 0.940 nan 8.190 nan 0.000 0.432 47 I N 1.808 122.528 120.570 0.251 0.000 2.785 47 I HA 0.728 4.899 4.170 0.001 0.000 0.302 47 I C -2.848 173.568 176.117 0.498 0.000 1.069 47 I CA -2.877 58.634 61.300 0.351 0.000 1.045 47 I CB 2.367 40.530 38.000 0.271 0.000 1.236 47 I HN 0.351 nan 8.210 nan 0.000 0.429 48 P HA 0.025 nan 4.420 nan 0.000 0.267 48 P C -0.963 176.709 177.300 0.620 0.000 1.200 48 P CA 0.166 63.639 63.100 0.622 0.000 0.772 48 P CB 0.630 32.571 31.700 0.402 0.000 0.855 49 W N 2.307 123.756 121.300 0.250 0.000 4.482 49 W HA 0.152 4.813 4.660 0.001 0.000 0.479 49 W C 1.343 177.841 176.519 -0.036 0.000 3.471 49 W CA -0.028 57.443 57.345 0.210 0.000 1.138 49 W CB -0.401 29.208 29.460 0.248 0.000 2.116 49 W HN 0.010 nan 8.180 nan 0.000 0.349 50 L N 1.843 123.107 121.223 0.069 0.000 2.141 50 L HA 0.020 4.360 4.340 0.001 0.000 0.209 50 L C 1.258 178.090 176.870 -0.062 0.000 1.094 50 L CA 0.995 55.659 54.840 -0.293 0.000 0.763 50 L CB -0.968 40.881 42.059 -0.349 0.000 0.908 50 L HN 0.035 nan 8.230 nan 0.000 0.437 51 A N 0.172 123.068 122.820 0.127 0.000 2.354 51 A HA 0.106 4.427 4.320 0.001 0.000 0.281 51 A C 1.232 179.030 177.584 0.357 0.000 1.174 51 A CA -0.272 51.929 52.037 0.273 0.000 0.828 51 A CB 0.587 19.795 19.000 0.346 0.000 1.099 51 A HN 0.213 nan 8.150 nan 0.000 0.516 52 K N 1.974 122.518 120.400 0.240 0.000 2.103 52 K HA -0.010 4.310 4.320 0.001 0.000 0.204 52 K C 0.699 177.401 176.600 0.171 0.000 1.052 52 K CA 1.528 57.911 56.287 0.161 0.000 0.945 52 K CB -0.048 32.484 32.500 0.052 0.000 0.722 52 K HN 0.914 nan 8.250 nan 0.000 0.443 53 S N -2.165 113.687 115.700 0.253 0.000 2.661 53 S HA 0.572 5.042 4.470 0.001 0.000 0.268 53 S C -2.046 172.763 174.600 0.349 0.000 1.162 53 S CA -0.766 57.427 58.200 -0.011 0.000 0.817 53 S CB 0.567 63.668 63.200 -0.165 0.000 1.141 53 S HN 0.419 nan 8.310 nan 0.000 0.477 54 W N -0.460 120.938 121.300 0.164 0.000 3.161 54 W HA 0.701 5.361 4.660 0.001 0.000 0.314 54 W C -1.254 175.268 176.519 0.006 0.000 1.245 54 W CA -0.271 57.110 57.345 0.060 0.000 1.191 54 W CB 0.277 29.737 29.460 0.000 0.000 1.392 54 W HN 1.096 nan 8.180 nan 0.000 0.568 55 T N -0.975 113.652 114.554 0.122 0.000 2.906 55 T HA 0.780 5.130 4.350 0.001 0.000 0.295 55 T C -1.065 173.503 174.700 -0.220 0.000 1.075 55 T CA -0.794 61.255 62.100 -0.084 0.000 1.005 55 T CB 1.971 70.734 68.868 -0.174 0.000 1.136 55 T HN 0.989 nan 8.240 nan 0.000 0.498 56 H N -0.966 117.822 119.070 -0.471 0.000 2.771 56 H HA 0.807 5.363 4.556 0.001 0.000 0.367 56 H C 0.206 175.256 175.328 -0.465 0.000 1.172 56 H CA -0.913 54.646 56.048 -0.815 0.000 1.186 56 H CB 1.001 29.805 29.762 -1.596 0.000 1.790 56 H HN 0.792 nan 8.280 nan 0.000 0.556 57 S N -0.103 115.410 115.700 -0.312 0.000 2.624 57 S HA -0.010 4.460 4.470 0.001 0.000 0.263 57 S C 1.144 175.678 174.600 -0.110 0.000 1.287 57 S CA -0.217 57.865 58.200 -0.197 0.000 0.990 57 S CB 1.223 64.340 63.200 -0.139 0.000 0.950 57 S HN 0.876 nan 8.310 nan 0.000 0.561 58 E N 1.129 121.274 120.200 -0.092 0.000 2.110 58 E HA -0.187 4.163 4.350 0.001 0.000 0.193 58 E C 1.306 177.892 176.600 -0.025 0.000 0.988 58 E CA 1.889 58.259 56.400 -0.049 0.000 0.804 58 E CB -0.450 29.218 29.700 -0.054 0.000 0.745 58 E HN 0.834 nan 8.360 nan 0.000 0.458 59 D N -1.436 118.941 120.400 -0.039 0.000 2.355 59 D HA 0.045 4.686 4.640 0.001 0.000 0.218 59 D C 1.323 177.602 176.300 -0.035 0.000 1.004 59 D CA 0.885 54.864 54.000 -0.036 0.000 0.880 59 D CB -0.329 40.452 40.800 -0.031 0.000 0.911 59 D HN 0.276 nan 8.370 nan 0.000 0.528 60 G N 0.906 109.674 108.800 -0.054 0.000 2.155 60 G HA2 -0.360 3.600 3.960 0.001 0.000 0.257 60 G HA3 -0.360 3.600 3.960 0.001 0.000 0.257 60 G C 0.973 175.892 174.900 0.032 0.000 0.983 60 G CA 0.613 45.663 45.100 -0.084 0.000 0.676 60 G HN 0.486 nan 8.290 nan 0.000 0.528 61 K N -0.486 119.914 120.400 0.000 0.000 2.361 61 K HA 0.130 4.451 4.320 0.001 0.000 0.194 61 K C 0.300 176.936 176.600 0.059 0.000 1.032 61 K CA 0.619 56.938 56.287 0.053 0.000 1.048 61 K CB 0.659 33.170 32.500 0.017 0.000 0.842 61 K HN 0.306 nan 8.250 nan 0.000 0.526 62 T N 1.275 115.798 114.554 -0.053 0.000 2.791 62 T HA 0.321 4.672 4.350 0.001 0.000 0.288 62 T C -1.318 173.288 174.700 -0.155 0.000 0.999 62 T CA -0.573 61.509 62.100 -0.029 0.000 0.952 62 T CB 0.627 69.463 68.868 -0.053 0.000 0.938 62 T HN 0.058 nan 8.240 nan 0.000 0.444 63 W N 1.839 123.082 121.300 -0.095 0.000 2.666 63 W HA 0.575 5.236 4.660 0.001 0.000 0.334 63 W C -0.053 176.365 176.519 -0.169 0.000 1.051 63 W CA -0.615 56.646 57.345 -0.141 0.000 1.224 63 W CB 1.543 30.911 29.460 -0.153 0.000 1.405 63 W HN 0.365 nan 8.180 nan 0.000 0.513 64 T N 3.536 118.060 114.554 -0.050 0.000 2.840 64 T HA 0.503 4.854 4.350 0.001 0.000 0.287 64 T C -1.203 173.482 174.700 -0.026 0.000 0.991 64 T CA -0.573 61.529 62.100 0.004 0.000 0.964 64 T CB 0.363 69.240 68.868 0.016 0.000 0.954 64 T HN -0.018 nan 8.240 nan 0.000 0.438 65 F N 1.608 121.733 119.950 0.292 0.000 2.436 65 F HA 0.420 4.948 4.527 0.001 0.000 0.340 65 F C 1.084 177.013 175.800 0.214 0.000 1.113 65 F CA -0.849 57.355 58.000 0.339 0.000 1.022 65 F CB 1.470 40.649 39.000 0.298 0.000 1.128 65 F HN 0.317 nan 8.300 nan 0.000 0.466 66 T N 5.371 120.137 114.554 0.353 0.000 2.727 66 T HA 0.403 4.754 4.350 0.001 0.000 0.298 66 T C 0.180 175.009 174.700 0.215 0.000 0.942 66 T CA -0.489 61.734 62.100 0.206 0.000 0.997 66 T CB -0.053 68.888 68.868 0.122 0.000 0.917 66 T HN 0.273 nan 8.240 nan 0.000 0.487 67 L N 4.004 125.318 121.223 0.151 0.000 2.417 67 L HA 0.438 4.779 4.340 0.001 0.000 0.268 67 L C 1.228 178.114 176.870 0.026 0.000 1.158 67 L CA -1.037 53.865 54.840 0.104 0.000 0.819 67 L CB 0.411 42.512 42.059 0.069 0.000 1.112 67 L HN 0.627 nan 8.230 nan 0.000 0.458 68 R N 0.364 120.836 120.500 -0.046 0.000 2.738 68 R HA 0.096 4.437 4.340 0.001 0.000 0.268 68 R C -0.246 175.997 176.300 -0.095 0.000 1.062 68 R CA -0.413 55.618 56.100 -0.115 0.000 1.158 68 R CB 0.186 30.331 30.300 -0.258 0.000 1.046 68 R HN 0.686 nan 8.270 nan 0.000 0.493 69 D N -0.819 119.529 120.400 -0.087 0.000 2.440 69 D HA -0.027 4.613 4.640 0.001 0.000 0.216 69 D C -0.239 176.024 176.300 -0.061 0.000 1.150 69 D CA -0.302 53.661 54.000 -0.061 0.000 0.832 69 D CB 0.191 40.966 40.800 -0.042 0.000 0.992 69 D HN 0.705 nan 8.370 nan 0.000 0.502 70 D N -0.088 120.254 120.400 -0.096 0.000 2.535 70 D HA 0.052 4.693 4.640 0.001 0.000 0.229 70 D C 0.101 176.350 176.300 -0.085 0.000 1.238 70 D CA -0.626 53.333 54.000 -0.069 0.000 0.824 70 D CB 0.018 40.787 40.800 -0.052 0.000 1.045 70 D HN 0.098 nan 8.370 nan 0.000 0.500 71 V N 0.180 120.003 119.914 -0.151 0.000 2.427 71 V HA 0.550 4.671 4.120 0.001 0.000 0.286 71 V C -0.956 175.094 176.094 -0.073 0.000 1.034 71 V CA -0.411 61.773 62.300 -0.193 0.000 0.893 71 V CB 1.474 32.916 31.823 -0.635 0.000 0.982 71 V HN -0.063 nan 8.190 nan 0.000 0.452 72 K N 5.626 126.015 120.400 -0.018 0.000 2.259 72 K HA 0.500 4.820 4.320 0.001 0.000 0.249 72 K C -0.658 175.980 176.600 0.064 0.000 0.942 72 K CA -0.430 55.887 56.287 0.050 0.000 0.816 72 K CB 2.054 34.608 32.500 0.091 0.000 1.155 72 K HN 0.663 nan 8.250 nan 0.000 0.428 73 F N 0.815 120.856 119.950 0.152 0.000 2.480 73 F HA -0.128 4.400 4.527 0.001 0.000 0.319 73 F C 2.237 178.111 175.800 0.122 0.000 1.230 73 F CA 0.599 58.692 58.000 0.155 0.000 1.285 73 F CB 0.441 39.536 39.000 0.158 0.000 1.208 73 F HN 0.662 nan 8.300 nan 0.000 0.579 74 S N 0.418 116.321 115.700 0.339 0.000 2.442 74 S HA -0.209 4.262 4.470 0.001 0.000 0.236 74 S C 1.121 175.815 174.600 0.157 0.000 1.007 74 S CA 1.114 59.435 58.200 0.202 0.000 0.965 74 S CB -0.727 62.569 63.200 0.160 0.000 0.773 74 S HN 0.733 nan 8.310 nan 0.000 0.504 75 N N 1.001 119.803 118.700 0.170 0.000 2.346 75 N HA 0.273 5.013 4.740 0.001 0.000 0.225 75 N C 1.199 176.775 175.510 0.110 0.000 1.144 75 N CA 0.475 53.592 53.050 0.112 0.000 0.837 75 N CB -0.460 38.073 38.487 0.076 0.000 1.069 75 N HN 0.534 nan 8.380 nan 0.000 0.487 76 G N -0.270 108.608 108.800 0.131 0.000 2.435 76 G HA2 -0.358 3.603 3.960 0.001 0.000 0.245 76 G HA3 -0.358 3.603 3.960 0.001 0.000 0.245 76 G C 0.023 175.004 174.900 0.134 0.000 1.073 76 G CA 0.451 45.617 45.100 0.111 0.000 0.638 76 G HN 0.533 nan 8.290 nan 0.000 0.521 77 E N 2.023 122.321 120.200 0.164 0.000 2.442 77 E HA 0.356 4.707 4.350 0.001 0.000 0.260 77 E C -2.240 174.535 176.600 0.292 0.000 1.148 77 E CA -0.710 55.800 56.400 0.184 0.000 0.976 77 E CB 0.542 30.317 29.700 0.126 0.000 0.967 77 E HN 0.340 nan 8.360 nan 0.000 0.454 78 P HA 0.179 nan 4.420 nan 0.000 0.293 78 P C -1.315 176.164 177.300 0.299 0.000 1.291 78 P CA -0.470 62.755 63.100 0.208 0.000 0.867 78 P CB 0.520 32.276 31.700 0.094 0.000 1.074 79 F N 3.308 123.224 119.950 -0.057 0.000 2.410 79 F HA 0.515 5.043 4.527 0.001 0.000 0.349 79 F C -0.415 175.302 175.800 -0.139 0.000 1.117 79 F CA 0.334 58.214 58.000 -0.200 0.000 1.104 79 F CB 0.672 39.288 39.000 -0.639 0.000 1.122 79 F HN 0.363 nan 8.300 nan 0.000 0.483 80 D N 3.596 123.459 120.400 -0.895 0.000 2.768 80 D HA 0.378 5.019 4.640 0.001 0.000 0.327 80 D C 0.044 175.900 176.300 -0.739 0.000 1.302 80 D CA -0.224 53.345 54.000 -0.718 0.000 0.897 80 D CB 0.779 41.409 40.800 -0.283 0.000 1.420 80 D HN 0.486 nan 8.370 nan 0.000 0.494 81 A N -0.356 122.230 122.820 -0.389 0.000 1.972 81 A HA -0.146 4.175 4.320 0.001 0.000 0.219 81 A C 1.614 179.117 177.584 -0.135 0.000 1.169 81 A CA 1.447 53.342 52.037 -0.235 0.000 0.635 81 A CB -0.809 18.133 19.000 -0.098 0.000 0.810 81 A HN 0.573 nan 8.150 nan 0.000 0.446 82 E N 0.091 120.225 120.200 -0.109 0.000 2.106 82 E HA -0.104 4.246 4.350 0.001 0.000 0.192 82 E C 2.303 178.896 176.600 -0.012 0.000 0.984 82 E CA 0.945 57.327 56.400 -0.031 0.000 0.806 82 E CB -0.351 29.335 29.700 -0.023 0.000 0.750 82 E HN 0.610 nan 8.360 nan 0.000 0.458 83 A N 2.103 124.869 122.820 -0.090 0.000 1.858 83 A HA -0.080 4.240 4.320 0.001 0.000 0.216 83 A C 2.517 180.162 177.584 0.101 0.000 1.190 83 A CA 1.819 53.858 52.037 0.004 0.000 0.617 83 A CB -0.707 18.321 19.000 0.047 0.000 0.827 83 A HN 0.280 nan 8.150 nan 0.000 0.443 84 A N -0.222 122.523 122.820 -0.125 0.000 1.908 84 A HA 0.100 4.421 4.320 0.001 0.000 0.218 84 A C 2.486 180.325 177.584 0.424 0.000 1.181 84 A CA 2.338 54.399 52.037 0.040 0.000 0.627 84 A CB -0.971 17.889 19.000 -0.234 0.000 0.818 84 A HN 1.065 nan 8.150 nan 0.000 0.445 85 A N -0.525 122.465 122.820 0.283 0.000 1.872 85 A HA -0.101 4.220 4.320 0.001 0.000 0.214 85 A C 1.934 179.729 177.584 0.352 0.000 1.187 85 A CA 1.424 53.655 52.037 0.323 0.000 0.614 85 A CB -0.450 18.652 19.000 0.170 0.000 0.826 85 A HN 0.495 nan 8.150 nan 0.000 0.442 86 E N 0.392 120.772 120.200 0.299 0.000 2.097 86 E HA -0.241 4.110 4.350 0.001 0.000 0.196 86 E C 1.786 178.688 176.600 0.503 0.000 1.000 86 E CA 1.687 58.312 56.400 0.375 0.000 0.804 86 E CB -0.497 29.377 29.700 0.289 0.000 0.740 86 E HN 0.708 nan 8.360 nan 0.000 0.454 87 N N -0.001 119.017 118.700 0.530 0.000 2.120 87 N HA -0.131 4.609 4.740 0.001 0.000 0.188 87 N C 1.650 177.224 175.510 0.107 0.000 1.024 87 N CA 1.021 54.334 53.050 0.438 0.000 0.852 87 N CB -0.297 38.535 38.487 0.575 0.000 1.003 87 N HN 0.050 nan 8.380 nan 0.000 0.424 88 F N 0.930 121.044 119.950 0.273 0.000 2.171 88 F HA -0.071 4.456 4.527 0.001 0.000 0.300 88 F C 2.486 178.347 175.800 0.103 0.000 1.090 88 F CA 1.013 59.121 58.000 0.181 0.000 1.293 88 F CB -0.188 38.919 39.000 0.179 0.000 1.013 88 F HN 0.020 nan 8.300 nan 0.000 0.486 89 R N 0.538 121.208 120.500 0.284 0.000 2.062 89 R HA -0.093 4.248 4.340 0.001 0.000 0.229 89 R C 2.410 178.757 176.300 0.078 0.000 1.128 89 R CA 1.231 57.440 56.100 0.182 0.000 0.960 89 R CB -0.587 29.829 30.300 0.194 0.000 0.855 89 R HN 0.199 nan 8.270 nan 0.000 0.432 90 A N 0.741 123.574 122.820 0.023 0.000 1.927 90 A HA -0.166 4.155 4.320 0.001 0.000 0.220 90 A C 2.288 179.736 177.584 -0.227 0.000 1.185 90 A CA 2.025 53.949 52.037 -0.189 0.000 0.639 90 A CB -0.760 17.966 19.000 -0.457 0.000 0.820 90 A HN 0.255 nan 8.150 nan 0.000 0.451 91 V N -0.105 119.607 119.914 -0.338 0.000 2.270 91 V HA -0.236 3.885 4.120 0.001 0.000 0.245 91 V C 2.474 178.551 176.094 -0.029 0.000 1.043 91 V CA 2.002 64.088 62.300 -0.355 0.000 1.014 91 V CB -0.781 30.720 31.823 -0.538 0.000 0.645 91 V HN 0.576 nan 8.190 nan 0.000 0.447 92 L N -0.180 121.080 121.223 0.062 0.000 2.376 92 L HA -0.088 4.253 4.340 0.001 0.000 0.219 92 L C 2.064 178.989 176.870 0.091 0.000 1.133 92 L CA 0.749 55.665 54.840 0.126 0.000 0.816 92 L CB -0.690 41.464 42.059 0.159 0.000 0.933 92 L HN 0.325 nan 8.230 nan 0.000 0.449 93 D N 0.289 120.723 120.400 0.058 0.000 2.311 93 D HA -0.198 4.442 4.640 0.001 0.000 0.212 93 D C 1.360 177.683 176.300 0.038 0.000 0.972 93 D CA 1.154 55.178 54.000 0.039 0.000 0.887 93 D CB -0.084 40.726 40.800 0.017 0.000 0.915 93 D HN 0.425 nan 8.370 nan 0.000 0.497 94 N N -0.067 118.673 118.700 0.066 0.000 2.351 94 N HA 0.046 4.786 4.740 0.001 0.000 0.254 94 N C 1.363 176.903 175.510 0.050 0.000 1.241 94 N CA -0.292 52.782 53.050 0.039 0.000 0.883 94 N CB 0.384 38.887 38.487 0.028 0.000 1.202 94 N HN -0.098 nan 8.380 nan 0.000 0.512 95 R N 0.456 121.025 120.500 0.115 0.000 2.190 95 R HA -0.223 4.117 4.340 0.001 0.000 0.255 95 R C 1.523 177.853 176.300 0.050 0.000 1.143 95 R CA 1.936 58.117 56.100 0.135 0.000 0.965 95 R CB 0.068 30.419 30.300 0.086 0.000 0.889 95 R HN 0.373 nan 8.270 nan 0.000 0.448 96 Q N -0.460 119.334 119.800 -0.010 0.000 2.291 96 Q HA -0.142 4.198 4.340 0.001 0.000 0.205 96 Q C 1.876 177.827 176.000 -0.082 0.000 0.970 96 Q CA 0.987 56.767 55.803 -0.038 0.000 0.876 96 Q CB -0.085 28.631 28.738 -0.038 0.000 0.935 96 Q HN 0.369 nan 8.270 nan 0.000 0.455 97 R N -0.101 120.294 120.500 -0.175 0.000 2.276 97 R HA -0.072 4.269 4.340 0.001 0.000 0.203 97 R C 0.932 177.101 176.300 -0.218 0.000 1.017 97 R CA 0.663 56.617 56.100 -0.243 0.000 1.010 97 R CB 0.212 30.342 30.300 -0.284 0.000 0.900 97 R HN 0.276 nan 8.270 nan 0.000 0.469 98 H N -1.001 118.138 119.070 0.116 0.000 2.529 98 H HA 0.215 4.772 4.556 0.001 0.000 0.277 98 H C 1.315 176.516 175.328 -0.211 0.000 1.004 98 H CA 0.545 56.639 56.048 0.077 0.000 1.167 98 H CB 0.711 30.467 29.762 -0.011 0.000 1.445 98 H HN 0.263 nan 8.280 nan 0.000 0.554 99 A N 1.837 124.655 122.820 -0.003 0.000 2.178 99 A HA -0.123 4.198 4.320 0.001 0.000 0.218 99 A C 2.066 179.596 177.584 -0.090 0.000 1.157 99 A CA 0.660 52.663 52.037 -0.057 0.000 0.689 99 A CB -0.948 18.041 19.000 -0.018 0.000 0.787 99 A HN 0.644 nan 8.150 nan 0.000 0.465 100 W N -1.412 119.903 121.300 0.025 0.000 2.467 100 W HA 0.235 4.896 4.660 0.001 0.000 0.275 100 W C 0.317 176.912 176.519 0.127 0.000 1.239 100 W CA -0.029 57.349 57.345 0.056 0.000 1.266 100 W CB -0.722 28.762 29.460 0.040 0.000 1.112 100 W HN 0.152 nan 8.180 nan 0.000 0.576 101 L N 2.777 123.302 121.223 -1.164 0.000 2.272 101 L HA 0.123 4.463 4.340 0.001 0.000 0.289 101 L C 1.465 178.101 176.870 -0.390 0.000 1.032 101 L CA -0.053 54.175 54.840 -1.020 0.000 0.810 101 L CB 1.839 42.962 42.059 -1.559 0.000 1.205 101 L HN -0.173 nan 8.230 nan 0.000 0.422 102 E N 3.325 123.440 120.200 -0.143 0.000 2.274 102 E HA -0.168 4.183 4.350 0.001 0.000 0.194 102 E C 1.729 178.126 176.600 -0.339 0.000 0.996 102 E CA 1.028 57.332 56.400 -0.159 0.000 0.840 102 E CB 0.070 29.746 29.700 -0.041 0.000 0.772 102 E HN 0.747 nan 8.360 nan 0.000 0.491 103 L N -0.306 120.785 121.223 -0.220 0.000 2.187 103 L HA -0.182 4.159 4.340 0.001 0.000 0.213 103 L C 2.055 178.885 176.870 -0.068 0.000 1.100 103 L CA 1.397 56.128 54.840 -0.182 0.000 0.765 103 L CB -0.379 41.752 42.059 0.120 0.000 0.904 103 L HN 0.333 nan 8.230 nan 0.000 0.437 104 A N -0.543 122.291 122.820 0.024 0.000 1.970 104 A HA -0.116 4.204 4.320 0.001 0.000 0.216 104 A C 1.740 179.340 177.584 0.025 0.000 1.170 104 A CA 1.018 53.139 52.037 0.140 0.000 0.645 104 A CB -0.283 18.767 19.000 0.083 0.000 0.816 104 A HN 0.507 nan 8.150 nan 0.000 0.447 105 N N -0.319 118.339 118.700 -0.070 0.000 2.463 105 N HA -0.045 4.696 4.740 0.001 0.000 0.181 105 N C 1.272 176.716 175.510 -0.109 0.000 1.078 105 N CA 0.516 53.522 53.050 -0.073 0.000 0.902 105 N CB 0.028 38.465 38.487 -0.084 0.000 0.970 105 N HN 0.457 nan 8.380 nan 0.000 0.451 106 Q N 0.510 120.202 119.800 -0.180 0.000 2.297 106 Q HA 0.226 4.566 4.340 0.001 0.000 0.203 106 Q C 0.647 176.565 176.000 -0.136 0.000 0.931 106 Q CA 0.044 55.715 55.803 -0.220 0.000 0.885 106 Q CB 0.623 29.099 28.738 -0.437 0.000 0.991 106 Q HN 0.355 nan 8.270 nan 0.000 0.498 107 I N 1.427 121.941 120.570 -0.094 0.000 2.505 107 I HA -0.084 4.087 4.170 0.001 0.000 0.287 107 I C 1.327 177.420 176.117 -0.040 0.000 1.104 107 I CA -0.135 61.120 61.300 -0.075 0.000 1.387 107 I CB 0.925 38.887 38.000 -0.063 0.000 1.404 107 I HN -0.155 nan 8.210 nan 0.000 0.528 108 V N 4.788 124.675 119.914 -0.045 0.000 2.575 108 V HA 0.015 4.136 4.120 0.001 0.000 0.242 108 V C 0.252 176.342 176.094 -0.007 0.000 1.045 108 V CA 1.215 63.502 62.300 -0.021 0.000 1.065 108 V CB -0.086 31.725 31.823 -0.020 0.000 0.717 108 V HN 0.866 nan 8.190 nan 0.000 0.467 109 D N -1.616 118.774 120.400 -0.018 0.000 2.886 109 D HA 0.463 5.104 4.640 0.001 0.000 0.216 109 D C -1.482 174.803 176.300 -0.026 0.000 1.256 109 D CA -0.147 53.850 54.000 -0.005 0.000 0.844 109 D CB 2.257 43.059 40.800 0.003 0.000 1.669 109 D HN -0.102 nan 8.370 nan 0.000 0.513 110 V N 3.072 122.980 119.914 -0.010 0.000 2.483 110 V HA 0.625 4.746 4.120 0.001 0.000 0.297 110 V C -0.477 175.639 176.094 0.037 0.000 1.027 110 V CA -0.740 61.542 62.300 -0.031 0.000 0.855 110 V CB 1.583 33.339 31.823 -0.112 0.000 0.995 110 V HN 0.515 nan 8.190 nan 0.000 0.424 111 K N 3.149 123.572 120.400 0.038 0.000 2.507 111 K HA 0.807 5.128 4.320 0.001 0.000 0.251 111 K C -0.477 176.154 176.600 0.052 0.000 0.943 111 K CA -0.207 56.109 56.287 0.047 0.000 0.794 111 K CB 1.994 34.515 32.500 0.035 0.000 1.188 111 K HN 0.889 nan 8.250 nan 0.000 0.428 112 A N 5.065 127.914 122.820 0.049 0.000 2.328 112 A HA 0.375 4.695 4.320 0.001 0.000 0.284 112 A C 0.348 177.947 177.584 0.025 0.000 1.160 112 A CA -0.415 51.642 52.037 0.034 0.000 0.818 112 A CB 0.105 19.115 19.000 0.015 0.000 1.087 112 A HN 0.881 nan 8.150 nan 0.000 0.504 113 L N 1.778 123.016 121.223 0.025 0.000 2.265 113 L HA 0.056 4.396 4.340 0.001 0.000 0.195 113 L C 1.685 178.560 176.870 0.009 0.000 1.083 113 L CA 1.189 56.040 54.840 0.019 0.000 0.798 113 L CB -0.494 41.579 42.059 0.024 0.000 0.989 113 L HN 0.853 nan 8.230 nan 0.000 0.472 114 S N -1.250 114.453 115.700 0.005 0.000 3.362 114 S HA 0.277 4.748 4.470 0.001 0.000 0.235 114 S C 0.890 175.479 174.600 -0.019 0.000 1.026 114 S CA -0.717 57.480 58.200 -0.005 0.000 1.257 114 S CB 0.857 64.055 63.200 -0.003 0.000 1.187 114 S HN -0.030 nan 8.310 nan 0.000 0.660 115 K N 0.853 121.236 120.400 -0.027 0.000 2.202 115 K HA 0.081 4.401 4.320 0.001 0.000 0.201 115 K C 1.739 178.300 176.600 -0.066 0.000 1.051 115 K CA 1.352 57.608 56.287 -0.052 0.000 0.977 115 K CB -0.168 32.304 32.500 -0.047 0.000 0.792 115 K HN 0.771 nan 8.250 nan 0.000 0.469 116 T N -0.878 113.655 114.554 -0.034 0.000 3.092 116 T HA 0.140 4.491 4.350 0.001 0.000 0.258 116 T C 0.012 174.727 174.700 0.025 0.000 1.031 116 T CA -0.299 61.790 62.100 -0.018 0.000 0.925 116 T CB 0.292 69.154 68.868 -0.009 0.000 1.036 116 T HN -0.136 nan 8.240 nan 0.000 0.544 117 E N 1.174 121.391 120.200 0.029 0.000 2.199 117 E HA 0.528 4.879 4.350 0.001 0.000 0.265 117 E C -1.624 175.025 176.600 0.082 0.000 0.882 117 E CA -0.768 55.675 56.400 0.070 0.000 0.759 117 E CB 2.580 32.312 29.700 0.052 0.000 1.148 117 E HN 0.231 nan 8.360 nan 0.000 0.412 118 L N 2.288 123.603 121.223 0.154 0.000 2.362 118 L HA 0.317 4.658 4.340 0.001 0.000 0.275 118 L C -0.813 176.194 176.870 0.229 0.000 0.998 118 L CA -0.325 54.619 54.840 0.174 0.000 0.820 118 L CB 1.837 44.015 42.059 0.198 0.000 1.270 118 L HN 0.460 nan 8.230 nan 0.000 0.415 119 Q N 5.285 125.175 119.800 0.149 0.000 2.333 119 Q HA 0.592 4.933 4.340 0.001 0.000 0.268 119 Q C -1.643 174.418 176.000 0.102 0.000 1.007 119 Q CA -0.493 55.389 55.803 0.131 0.000 0.810 119 Q CB 1.337 30.118 28.738 0.072 0.000 1.264 119 Q HN 0.750 nan 8.270 nan 0.000 0.452 120 I N 3.429 124.095 120.570 0.160 0.000 2.433 120 I HA 0.377 4.547 4.170 0.001 0.000 0.292 120 I C -0.392 175.772 176.117 0.078 0.000 1.001 120 I CA -0.792 60.553 61.300 0.076 0.000 1.119 120 I CB 2.127 40.223 38.000 0.160 0.000 1.289 120 I HN 0.607 nan 8.210 nan 0.000 0.438 121 T N 4.925 119.481 114.554 0.003 0.000 2.812 121 T HA 0.708 5.058 4.350 0.001 0.000 0.282 121 T C -0.536 174.137 174.700 -0.044 0.000 0.990 121 T CA -0.769 61.334 62.100 0.004 0.000 0.960 121 T CB 1.431 70.302 68.868 0.005 0.000 0.948 121 T HN 0.283 nan 8.240 nan 0.000 0.438 122 L N 2.532 123.724 121.223 -0.052 0.000 2.334 122 L HA 0.533 4.874 4.340 0.001 0.000 0.272 122 L C 1.829 178.673 176.870 -0.043 0.000 1.020 122 L CA -1.186 53.599 54.840 -0.092 0.000 0.812 122 L CB 1.578 43.543 42.059 -0.156 0.000 1.264 122 L HN 0.704 nan 8.230 nan 0.000 0.439 123 K N 0.589 120.958 120.400 -0.052 0.000 2.152 123 K HA -0.105 4.216 4.320 0.001 0.000 0.206 123 K C 0.199 176.801 176.600 0.002 0.000 1.048 123 K CA 1.260 57.531 56.287 -0.027 0.000 0.933 123 K CB 0.235 32.708 32.500 -0.044 0.000 0.721 123 K HN 0.769 nan 8.250 nan 0.000 0.447 124 S N -2.477 113.237 115.700 0.022 0.000 2.587 124 S HA 0.522 4.993 4.470 0.001 0.000 0.269 124 S C -1.254 173.426 174.600 0.134 0.000 1.154 124 S CA -0.843 57.403 58.200 0.078 0.000 0.824 124 S CB 1.455 64.717 63.200 0.104 0.000 1.118 124 S HN 0.089 nan 8.310 nan 0.000 0.462 125 A N 1.514 124.436 122.820 0.170 0.000 2.544 125 A HA 0.470 4.790 4.320 0.001 0.000 0.301 125 A C -0.720 177.096 177.584 0.386 0.000 1.368 125 A CA -0.053 52.118 52.037 0.223 0.000 1.045 125 A CB -1.103 17.958 19.000 0.103 0.000 1.129 125 A HN 0.953 nan 8.150 nan 0.000 0.540 126 Y N 4.480 124.862 120.300 0.136 0.000 2.367 126 Y HA 0.373 4.924 4.550 0.001 0.000 0.342 126 Y C 0.825 176.767 175.900 0.071 0.000 0.979 126 Y CA -1.240 56.890 58.100 0.049 0.000 1.161 126 Y CB 0.404 38.821 38.460 -0.073 0.000 1.155 126 Y HN 0.730 nan 8.280 nan 0.000 0.503 127 Y N 4.541 124.631 120.300 -0.351 0.000 2.200 127 Y HA 0.161 4.711 4.550 0.001 0.000 0.290 127 Y C -1.098 174.577 175.900 -0.375 0.000 1.137 127 Y CA 0.348 58.293 58.100 -0.258 0.000 1.163 127 Y CB -2.003 36.309 38.460 -0.247 0.000 0.988 127 Y HN 0.402 nan 8.280 nan 0.000 0.518 128 P HA -0.071 nan 4.420 nan 0.000 0.239 128 P C 1.231 178.356 177.300 -0.292 0.000 1.184 128 P CA 0.648 63.285 63.100 -0.773 0.000 0.760 128 P CB -0.606 30.472 31.700 -1.038 0.000 0.884 129 F N 0.948 120.678 119.950 -0.367 0.000 2.039 129 F HA -0.333 4.194 4.527 0.001 0.000 0.296 129 F C 1.904 177.568 175.800 -0.225 0.000 1.119 129 F CA 1.625 59.517 58.000 -0.179 0.000 1.211 129 F CB -0.500 38.264 39.000 -0.393 0.000 0.956 129 F HN -0.198 nan 8.300 nan 0.000 0.496 130 L N -0.118 120.875 121.223 -0.382 0.000 2.017 130 L HA -0.242 4.099 4.340 0.001 0.000 0.208 130 L C 2.634 179.353 176.870 -0.253 0.000 1.073 130 L CA 1.252 55.810 54.840 -0.470 0.000 0.745 130 L CB -0.983 40.904 42.059 -0.287 0.000 0.894 130 L HN 0.331 nan 8.230 nan 0.000 0.432 131 Q N 0.259 119.993 119.800 -0.111 0.000 2.135 131 Q HA -0.228 4.112 4.340 0.001 0.000 0.204 131 Q C 1.784 177.731 176.000 -0.088 0.000 0.981 131 Q CA 1.471 57.245 55.803 -0.048 0.000 0.856 131 Q CB -0.335 28.391 28.738 -0.020 0.000 0.902 131 Q HN 0.645 nan 8.270 nan 0.000 0.425 132 E N 0.558 120.723 120.200 -0.058 0.000 2.285 132 E HA 0.012 4.363 4.350 0.001 0.000 0.194 132 E C 2.007 178.624 176.600 0.028 0.000 0.997 132 E CA 0.093 56.509 56.400 0.025 0.000 0.845 132 E CB 0.081 29.875 29.700 0.158 0.000 0.782 132 E HN 0.288 nan 8.360 nan 0.000 0.491 133 L N 0.311 121.441 121.223 -0.154 0.000 2.376 133 L HA -0.028 4.313 4.340 0.001 0.000 0.219 133 L C 2.189 179.021 176.870 -0.064 0.000 1.133 133 L CA 0.440 55.184 54.840 -0.160 0.000 0.816 133 L CB -0.063 41.718 42.059 -0.463 0.000 0.933 133 L HN 0.101 nan 8.230 nan 0.000 0.449 134 A N -0.579 122.195 122.820 -0.077 0.000 2.238 134 A HA 0.209 4.529 4.320 0.001 0.000 0.210 134 A C 1.052 178.613 177.584 -0.039 0.000 1.179 134 A CA -0.189 51.821 52.037 -0.045 0.000 0.827 134 A CB -0.109 18.887 19.000 -0.008 0.000 0.856 134 A HN 0.195 nan 8.150 nan 0.000 0.488 135 L N -0.408 120.790 121.223 -0.041 0.000 2.473 135 L HA 0.115 4.456 4.340 0.001 0.000 0.268 135 L C -1.292 175.589 176.870 0.019 0.000 1.215 135 L CA -1.563 53.258 54.840 -0.032 0.000 0.823 135 L CB 0.254 42.328 42.059 0.025 0.000 1.099 135 L HN 0.041 nan 8.230 nan 0.000 0.483 136 P HA -0.150 nan 4.420 nan 0.000 0.217 136 P C -0.544 176.745 177.300 -0.019 0.000 1.148 136 P CA 1.404 64.529 63.100 0.041 0.000 0.834 136 P CB 0.114 31.856 31.700 0.070 0.000 0.783 137 R N -4.040 116.453 120.500 -0.012 0.000 2.687 137 R HA 0.262 4.603 4.340 0.001 0.000 0.265 137 R C -3.012 173.231 176.300 -0.095 0.000 1.048 137 R CA -1.367 54.650 56.100 -0.138 0.000 0.884 137 R CB -0.132 30.027 30.300 -0.235 0.000 1.258 137 R HN -0.283 nan 8.270 nan 0.000 0.469 138 P HA 0.188 nan 4.420 nan 0.000 0.251 138 P C -0.148 176.692 177.300 -0.766 0.000 1.223 138 P CA 0.361 63.048 63.100 -0.689 0.000 0.796 138 P CB 0.080 31.078 31.700 -1.170 0.000 1.068 139 F N 0.700 120.454 119.950 -0.326 0.000 2.913 139 F HA 0.220 4.747 4.527 0.001 0.000 0.306 139 F C 1.228 176.551 175.800 -0.795 0.000 1.205 139 F CA -0.358 57.312 58.000 -0.550 0.000 1.359 139 F CB -0.220 38.559 39.000 -0.368 0.000 1.260 139 F HN -0.267 nan 8.300 nan 0.000 0.545 140 R N -0.420 119.714 120.500 -0.610 0.000 2.939 140 R HA 0.642 4.982 4.340 0.001 0.000 0.254 140 R C -1.370 174.516 176.300 -0.691 0.000 1.123 140 R CA -0.994 54.655 56.100 -0.751 0.000 1.020 140 R CB 1.675 31.835 30.300 -0.232 0.000 1.206 140 R HN 0.005 nan 8.270 nan 0.000 0.491 141 F N 1.131 121.202 119.950 0.201 0.000 2.403 141 F HA 0.452 4.980 4.527 0.001 0.000 0.355 141 F C 0.102 176.241 175.800 0.565 0.000 1.119 141 F CA -0.694 57.533 58.000 0.379 0.000 1.007 141 F CB 1.216 40.503 39.000 0.479 0.000 1.194 141 F HN 0.213 nan 8.300 nan 0.000 0.443 142 I N 2.556 123.424 120.570 0.497 0.000 2.566 142 I HA 0.665 4.836 4.170 0.001 0.000 0.303 142 I C 0.235 176.387 176.117 0.058 0.000 0.983 142 I CA -0.690 60.849 61.300 0.398 0.000 1.235 142 I CB 1.237 39.331 38.000 0.157 0.000 1.386 142 I HN 0.720 nan 8.210 nan 0.000 0.494 143 A N 8.850 131.217 122.820 -0.756 0.000 2.561 143 A HA 0.171 4.492 4.320 0.001 0.000 0.251 143 A C -1.669 175.574 177.584 -0.568 0.000 1.062 143 A CA -0.738 50.557 52.037 -1.236 0.000 0.761 143 A CB -0.583 17.846 19.000 -0.953 0.000 0.986 143 A HN 0.666 nan 8.150 nan 0.000 0.510 144 P HA -0.214 nan 4.420 nan 0.000 0.218 144 P C 1.602 178.424 177.300 -0.795 0.000 1.148 144 P CA 1.774 64.188 63.100 -1.144 0.000 0.822 144 P CB -0.129 31.083 31.700 -0.812 0.000 0.784 145 S N -0.308 115.131 115.700 -0.436 0.000 2.440 145 S HA -0.198 4.272 4.470 0.001 0.000 0.240 145 S C 1.699 176.200 174.600 -0.165 0.000 1.014 145 S CA 1.033 59.079 58.200 -0.256 0.000 0.980 145 S CB -1.003 62.089 63.200 -0.181 0.000 0.775 145 S HN 0.142 nan 8.310 nan 0.000 0.499 146 Q N 0.248 119.967 119.800 -0.135 0.000 2.360 146 Q HA 0.344 4.685 4.340 0.001 0.000 0.202 146 Q C 0.045 176.167 176.000 0.202 0.000 0.915 146 Q CA -0.158 55.660 55.803 0.024 0.000 0.943 146 Q CB -0.294 28.461 28.738 0.029 0.000 1.064 146 Q HN 0.678 nan 8.270 nan 0.000 0.511 147 F N 0.858 120.778 119.950 -0.050 0.000 2.490 147 F HA 0.009 4.537 4.527 0.001 0.000 0.336 147 F C 1.785 177.556 175.800 -0.047 0.000 1.178 147 F CA -0.203 57.780 58.000 -0.028 0.000 1.301 147 F CB 0.896 39.887 39.000 -0.015 0.000 1.175 147 F HN -0.094 nan 8.300 nan 0.000 0.593 148 K N 0.879 121.368 120.400 0.148 0.000 2.108 148 K HA 0.025 4.346 4.320 0.001 0.000 0.204 148 K C 0.039 176.678 176.600 0.064 0.000 1.036 148 K CA 0.785 57.114 56.287 0.070 0.000 0.965 148 K CB -0.034 32.491 32.500 0.041 0.000 0.804 148 K HN 0.438 nan 8.250 nan 0.000 0.454 149 N N 1.038 119.800 118.700 0.103 0.000 2.886 149 N HA 0.119 4.859 4.740 0.001 0.000 0.285 149 N C -1.464 174.269 175.510 0.371 0.000 1.706 149 N CA -0.116 53.043 53.050 0.182 0.000 0.904 149 N CB 0.200 38.791 38.487 0.173 0.000 1.224 149 N HN 0.239 nan 8.380 nan 0.000 0.488 150 H N -0.431 118.768 119.070 0.215 0.000 2.594 150 H HA -0.187 4.370 4.556 0.001 0.000 0.316 150 H C -0.696 174.750 175.328 0.196 0.000 1.107 150 H CA 0.778 57.044 56.048 0.363 0.000 1.133 150 H CB -1.250 28.654 29.762 0.236 0.000 1.459 150 H HN 0.519 nan 8.280 nan 0.000 0.411 151 E N 0.006 120.267 120.200 0.102 0.000 2.356 151 E HA 0.212 4.563 4.350 0.001 0.000 0.275 151 E C 0.961 177.362 176.600 -0.332 0.000 0.904 151 E CA 0.100 56.405 56.400 -0.159 0.000 0.757 151 E CB 1.896 31.579 29.700 -0.029 0.000 1.232 151 E HN 0.298 nan 8.360 nan 0.000 0.442 152 T N -2.061 112.253 114.554 -0.400 0.000 3.000 152 T HA -0.016 4.335 4.350 0.001 0.000 0.248 152 T C 1.774 176.421 174.700 -0.089 0.000 1.034 152 T CA 0.136 62.094 62.100 -0.235 0.000 1.060 152 T CB -0.083 68.703 68.868 -0.136 0.000 0.983 152 T HN 0.529 nan 8.240 nan 0.000 0.482 153 M N 0.934 120.494 119.600 -0.067 0.000 2.530 153 M HA 0.074 4.554 4.480 0.001 0.000 0.261 153 M C 0.741 177.029 176.300 -0.020 0.000 1.067 153 M CA 1.409 56.697 55.300 -0.021 0.000 1.071 153 M CB -0.551 32.042 32.600 -0.012 0.000 1.405 153 M HN 0.014 nan 8.290 nan 0.000 0.478 154 N N 0.908 119.593 118.700 -0.026 0.000 2.205 154 N HA 0.328 5.069 4.740 0.001 0.000 0.201 154 N C 0.461 175.963 175.510 -0.013 0.000 1.128 154 N CA 0.946 53.988 53.050 -0.014 0.000 0.867 154 N CB 1.446 39.929 38.487 -0.006 0.000 0.996 154 N HN 0.613 nan 8.380 nan 0.000 0.503 155 G N 0.820 109.607 108.800 -0.022 0.000 2.339 155 G HA2 0.144 4.104 3.960 0.001 0.000 0.381 155 G HA3 0.144 4.104 3.960 0.001 0.000 0.381 155 G C -1.253 173.638 174.900 -0.016 0.000 1.400 155 G CA -0.697 44.391 45.100 -0.019 0.000 1.002 155 G HN 0.107 nan 8.290 nan 0.000 0.633 156 I N -2.736 117.830 120.570 -0.007 0.000 3.294 156 I HA 0.775 4.945 4.170 0.001 0.000 0.311 156 I C 0.770 176.901 176.117 0.023 0.000 1.111 156 I CA -1.400 59.912 61.300 0.020 0.000 0.976 156 I CB 1.856 39.869 38.000 0.021 0.000 1.260 156 I HN 0.619 nan 8.210 nan 0.000 0.474 157 K N 1.182 121.603 120.400 0.036 0.000 2.315 157 K HA 0.515 4.835 4.320 0.001 0.000 0.215 157 K C 0.353 176.964 176.600 0.018 0.000 1.047 157 K CA 0.264 56.563 56.287 0.021 0.000 1.020 157 K CB -0.167 32.343 32.500 0.017 0.000 1.211 157 K HN 0.713 nan 8.250 nan 0.000 0.462 158 A N 2.767 125.600 122.820 0.022 0.000 2.290 158 A HA 0.300 4.621 4.320 0.001 0.000 0.310 158 A C -2.370 175.248 177.584 0.057 0.000 1.202 158 A CA -1.636 50.416 52.037 0.024 0.000 0.837 158 A CB 0.238 19.246 19.000 0.014 0.000 1.139 158 A HN 0.192 nan 8.150 nan 0.000 0.509 159 P HA 0.038 nan 4.420 nan 0.000 0.238 159 P C -0.661 176.714 177.300 0.125 0.000 1.679 159 P CA 0.307 63.498 63.100 0.151 0.000 1.080 159 P CB -0.506 31.250 31.700 0.093 0.000 1.961 160 I N 1.557 122.222 120.570 0.158 0.000 2.304 160 I HA 0.439 4.609 4.170 0.001 0.000 0.291 160 I C 1.200 177.506 176.117 0.315 0.000 1.018 160 I CA -0.313 61.075 61.300 0.147 0.000 1.260 160 I CB 0.750 38.787 38.000 0.062 0.000 1.390 160 I HN 0.149 nan 8.210 nan 0.000 0.475 161 G N 3.660 112.651 108.800 0.318 0.000 3.176 161 G HA2 0.501 4.461 3.960 0.001 0.000 0.272 161 G HA3 0.501 4.461 3.960 0.001 0.000 0.272 161 G C 0.348 175.528 174.900 0.466 0.000 1.349 161 G CA -0.058 45.382 45.100 0.568 0.000 0.953 161 G HN 0.471 nan 8.290 nan 0.000 0.559 162 T N -2.157 112.576 114.554 0.297 0.000 3.086 162 T HA 0.371 4.722 4.350 0.001 0.000 0.250 162 T C 1.197 176.098 174.700 0.336 0.000 1.074 162 T CA 0.545 62.745 62.100 0.167 0.000 0.988 162 T CB 0.175 68.993 68.868 -0.083 0.000 0.988 162 T HN 0.782 nan 8.240 nan 0.000 0.530 163 G N 2.627 111.567 108.800 0.232 0.000 2.667 163 G HA2 0.419 4.379 3.960 0.001 0.000 0.250 163 G HA3 0.419 4.379 3.960 0.001 0.000 0.250 163 G C -1.419 173.384 174.900 -0.161 0.000 1.212 163 G CA -1.322 43.851 45.100 0.122 0.000 0.874 163 G HN 0.110 nan 8.290 nan 0.000 0.561 164 P HA 0.068 nan 4.420 nan 0.000 0.249 164 P C -0.654 176.008 177.300 -1.063 0.000 1.229 164 P CA 0.392 62.742 63.100 -1.251 0.000 0.788 164 P CB 0.181 30.814 31.700 -1.778 0.000 1.072 165 W N 0.012 121.216 121.300 -0.160 0.000 2.761 165 W HA 0.573 5.234 4.660 0.001 0.000 0.340 165 W C -0.269 176.294 176.519 0.073 0.000 1.072 165 W CA -0.864 56.463 57.345 -0.031 0.000 1.215 165 W CB 1.235 30.653 29.460 -0.071 0.000 1.420 165 W HN -0.362 nan 8.180 nan 0.000 0.519 166 I N 2.715 123.518 120.570 0.388 0.000 2.465 166 I HA 0.235 4.406 4.170 0.001 0.000 0.291 166 I C -0.201 176.041 176.117 0.208 0.000 1.014 166 I CA -1.051 60.395 61.300 0.243 0.000 1.093 166 I CB 1.448 39.524 38.000 0.127 0.000 1.267 166 I HN 0.222 nan 8.210 nan 0.000 0.431 167 L N 6.035 127.264 121.223 0.011 0.000 2.562 167 L HA -0.006 4.335 4.340 0.001 0.000 0.271 167 L C 1.303 178.059 176.870 -0.190 0.000 1.167 167 L CA 0.597 55.206 54.840 -0.385 0.000 0.917 167 L CB 0.568 42.424 42.059 -0.338 0.000 1.187 167 L HN 0.807 nan 8.230 nan 0.000 0.482 168 Q N 3.821 123.506 119.800 -0.191 0.000 2.324 168 Q HA 0.091 4.432 4.340 0.001 0.000 0.207 168 Q C -0.035 175.920 176.000 -0.075 0.000 0.928 168 Q CA 0.769 56.527 55.803 -0.074 0.000 0.890 168 Q CB 0.745 29.473 28.738 -0.016 0.000 1.001 168 Q HN 0.767 nan 8.270 nan 0.000 0.517 169 E N -0.324 119.810 120.200 -0.109 0.000 2.378 169 E HA 0.290 4.641 4.350 0.001 0.000 0.283 169 E C -2.020 174.533 176.600 -0.079 0.000 0.979 169 E CA -0.284 56.086 56.400 -0.050 0.000 0.795 169 E CB 1.921 31.654 29.700 0.057 0.000 1.221 169 E HN 0.023 nan 8.360 nan 0.000 0.428 170 S N 3.644 119.286 115.700 -0.097 0.000 2.668 170 S HA 0.502 4.972 4.470 0.001 0.000 0.277 170 S C -1.689 172.807 174.600 -0.175 0.000 1.170 170 S CA -0.748 57.377 58.200 -0.125 0.000 0.994 170 S CB 1.166 64.280 63.200 -0.143 0.000 1.051 170 S HN 0.438 nan 8.310 nan 0.000 0.484 171 K N 3.965 124.198 120.400 -0.278 0.000 2.535 171 K HA 0.490 4.810 4.320 0.001 0.000 0.253 171 K C -0.781 175.681 176.600 -0.231 0.000 0.953 171 K CA -0.817 55.264 56.287 -0.343 0.000 0.863 171 K CB 1.130 33.213 32.500 -0.695 0.000 1.111 171 K HN 0.659 nan 8.250 nan 0.000 0.431 172 L N 4.477 125.616 121.223 -0.140 0.000 2.559 172 L HA -0.019 4.322 4.340 0.001 0.000 0.282 172 L C 0.179 177.009 176.870 -0.067 0.000 1.232 172 L CA 1.192 55.984 54.840 -0.081 0.000 0.885 172 L CB -0.076 41.948 42.059 -0.059 0.000 1.131 172 L HN 0.893 nan 8.230 nan 0.000 0.498 173 N N 2.201 120.885 118.700 -0.026 0.000 2.717 173 N HA -0.276 4.464 4.740 0.001 0.000 0.248 173 N C 0.574 176.093 175.510 0.016 0.000 1.099 173 N CA 1.724 54.775 53.050 0.001 0.000 0.843 173 N CB -0.675 37.809 38.487 -0.005 0.000 1.155 173 N HN 0.842 nan 8.380 nan 0.000 0.580 174 Q N -1.718 118.075 119.800 -0.012 0.000 2.589 174 Q HA 0.183 4.523 4.340 0.001 0.000 0.216 174 Q C -0.289 175.824 176.000 0.189 0.000 0.774 174 Q CA 0.516 56.339 55.803 0.033 0.000 0.909 174 Q CB 0.911 29.580 28.738 -0.115 0.000 1.283 174 Q HN 0.471 nan 8.270 nan 0.000 0.597 175 Y N -1.808 118.535 120.300 0.071 0.000 2.687 175 Y HA 0.517 5.068 4.550 0.001 0.000 0.338 175 Y C -2.347 173.598 175.900 0.076 0.000 1.189 175 Y CA -1.515 56.644 58.100 0.098 0.000 1.097 175 Y CB 0.825 39.334 38.460 0.082 0.000 1.342 175 Y HN -0.192 nan 8.280 nan 0.000 0.461 176 D N 1.313 121.960 120.400 0.412 0.000 2.738 176 D HA 0.671 5.312 4.640 0.001 0.000 0.237 176 D C -1.316 175.146 176.300 0.271 0.000 1.123 176 D CA -0.461 53.666 54.000 0.213 0.000 0.856 176 D CB 3.138 43.992 40.800 0.089 0.000 1.552 176 D HN 0.499 nan 8.370 nan 0.000 0.480 177 V N 1.858 121.795 119.914 0.039 0.000 2.638 177 V HA 0.512 4.633 4.120 0.001 0.000 0.306 177 V C -0.914 175.104 176.094 -0.127 0.000 1.052 177 V CA -0.728 61.611 62.300 0.064 0.000 0.885 177 V CB 1.635 33.491 31.823 0.056 0.000 0.999 177 V HN 0.394 nan 8.190 nan 0.000 0.424 178 F N 2.475 122.455 119.950 0.050 0.000 2.579 178 F HA 0.832 5.359 4.527 0.001 0.000 0.324 178 F C -0.017 175.834 175.800 0.086 0.000 1.058 178 F CA -0.892 57.142 58.000 0.056 0.000 0.944 178 F CB 2.243 41.241 39.000 -0.003 0.000 1.245 178 F HN 0.213 nan 8.300 nan 0.000 0.477 179 V N 1.627 121.770 119.914 0.382 0.000 2.876 179 V HA 0.458 4.578 4.120 0.001 0.000 0.312 179 V C -0.513 175.813 176.094 0.387 0.000 1.085 179 V CA -1.107 61.374 62.300 0.302 0.000 0.945 179 V CB 2.332 34.249 31.823 0.156 0.000 1.017 179 V HN 0.712 nan 8.190 nan 0.000 0.428 180 R N 3.280 123.951 120.500 0.286 0.000 2.590 180 R HA 0.129 4.469 4.340 0.001 0.000 0.274 180 R C 0.266 176.537 176.300 -0.049 0.000 1.061 180 R CA 0.007 56.098 56.100 -0.015 0.000 1.081 180 R CB 0.329 30.554 30.300 -0.124 0.000 0.984 180 R HN 0.878 nan 8.270 nan 0.000 0.448 181 N N 3.254 121.857 118.700 -0.162 0.000 2.420 181 N HA -0.013 4.728 4.740 0.001 0.000 0.249 181 N C -0.196 175.286 175.510 -0.046 0.000 1.033 181 N CA -0.456 52.557 53.050 -0.061 0.000 0.944 181 N CB 0.909 39.368 38.487 -0.046 0.000 1.113 181 N HN 0.616 nan 8.380 nan 0.000 0.502 182 E N 2.377 122.573 120.200 -0.006 0.000 2.481 182 E HA -0.001 4.350 4.350 0.001 0.000 0.195 182 E C -0.188 176.422 176.600 0.016 0.000 1.047 182 E CA 0.355 56.752 56.400 -0.005 0.000 0.867 182 E CB 0.141 29.842 29.700 0.001 0.000 0.858 182 E HN 0.632 nan 8.360 nan 0.000 0.513 183 N N 0.773 119.497 118.700 0.041 0.000 2.453 183 N HA -0.006 4.735 4.740 0.001 0.000 0.270 183 N C -0.509 175.049 175.510 0.079 0.000 1.195 183 N CA -0.156 52.925 53.050 0.051 0.000 0.902 183 N CB 0.108 38.631 38.487 0.061 0.000 1.186 183 N HN 0.115 nan 8.380 nan 0.000 0.510 184 Y N 1.650 121.896 120.300 -0.089 0.000 2.359 184 Y HA 0.037 4.587 4.550 0.001 0.000 0.330 184 Y C 1.603 177.410 175.900 -0.156 0.000 1.143 184 Y CA -1.010 56.994 58.100 -0.159 0.000 1.318 184 Y CB 0.471 38.753 38.460 -0.298 0.000 1.234 184 Y HN 0.199 nan 8.280 nan 0.000 0.522 185 W N 4.507 125.339 121.300 -0.781 0.000 2.402 185 W HA 0.123 4.784 4.660 0.001 0.000 0.286 185 W C 0.373 176.462 176.519 -0.718 0.000 1.221 185 W CA 0.702 57.665 57.345 -0.637 0.000 1.257 185 W CB -1.163 27.965 29.460 -0.555 0.000 1.120 185 W HN 0.669 nan 8.180 nan 0.000 0.551 186 G N 1.061 108.623 108.800 -2.064 0.000 2.773 186 G HA2 0.236 4.196 3.960 0.001 0.000 0.186 186 G HA3 0.236 4.196 3.960 0.001 0.000 0.186 186 G C -0.731 173.867 174.900 -0.503 0.000 1.411 186 G CA -0.824 43.459 45.100 -1.361 0.000 1.054 186 G HN 0.089 nan 8.290 nan 0.000 0.579 187 E N -0.010 120.058 120.200 -0.221 0.000 2.392 187 E HA 0.199 4.550 4.350 0.001 0.000 0.259 187 E C -0.216 176.377 176.600 -0.011 0.000 1.108 187 E CA -0.101 56.259 56.400 -0.066 0.000 0.916 187 E CB 0.980 30.660 29.700 -0.034 0.000 0.989 187 E HN 0.190 nan 8.360 nan 0.000 0.432 188 K N 3.135 123.509 120.400 -0.043 0.000 2.262 188 K HA 0.217 4.537 4.320 0.001 0.000 0.282 188 K C -2.375 174.167 176.600 -0.097 0.000 1.066 188 K CA -1.942 54.301 56.287 -0.073 0.000 0.901 188 K CB 0.586 33.056 32.500 -0.051 0.000 1.089 188 K HN 0.193 nan 8.250 nan 0.000 0.476 189 P HA -0.012 nan 4.420 nan 0.000 0.264 189 P C 0.062 177.342 177.300 -0.032 0.000 1.193 189 P CA 0.041 63.064 63.100 -0.129 0.000 0.763 189 P CB 1.064 32.549 31.700 -0.359 0.000 0.810 190 A N 5.157 127.998 122.820 0.034 0.000 1.940 190 A HA -0.109 4.212 4.320 0.001 0.000 0.219 190 A C 1.135 178.770 177.584 0.085 0.000 1.176 190 A CA 1.124 53.190 52.037 0.050 0.000 0.631 190 A CB -0.811 18.221 19.000 0.052 0.000 0.814 190 A HN 0.528 nan 8.150 nan 0.000 0.446 191 I N -0.057 120.615 120.570 0.171 0.000 2.529 191 I HA 0.105 4.275 4.170 0.001 0.000 0.284 191 I C 0.802 177.078 176.117 0.264 0.000 1.082 191 I CA 0.251 61.681 61.300 0.217 0.000 1.406 191 I CB 0.764 38.943 38.000 0.298 0.000 1.405 191 I HN 0.288 nan 8.210 nan 0.000 0.548 192 K N 3.856 124.360 120.400 0.174 0.000 2.308 192 K HA 0.122 4.443 4.320 0.001 0.000 0.197 192 K C 0.591 177.321 176.600 0.216 0.000 1.049 192 K CA 0.452 56.837 56.287 0.163 0.000 0.991 192 K CB 0.646 33.194 32.500 0.079 0.000 0.836 192 K HN 0.463 nan 8.250 nan 0.000 0.500 193 K N 1.219 121.702 120.400 0.139 0.000 2.550 193 K HA 0.237 4.558 4.320 0.001 0.000 0.252 193 K C -1.775 174.774 176.600 -0.085 0.000 0.943 193 K CA -0.488 55.839 56.287 0.067 0.000 0.806 193 K CB 1.455 33.977 32.500 0.036 0.000 1.289 193 K HN -0.167 nan 8.250 nan 0.000 0.435 194 I N 2.896 123.361 120.570 -0.174 0.000 2.433 194 I HA 0.346 4.516 4.170 0.001 0.000 0.292 194 I C -0.313 175.682 176.117 -0.203 0.000 1.001 194 I CA -0.662 60.404 61.300 -0.390 0.000 1.119 194 I CB 1.559 39.048 38.000 -0.853 0.000 1.289 194 I HN 0.552 nan 8.210 nan 0.000 0.438 195 T N 6.226 120.611 114.554 -0.283 0.000 2.809 195 T HA 0.521 4.872 4.350 0.001 0.000 0.284 195 T C -0.503 174.060 174.700 -0.229 0.000 0.992 195 T CA -0.242 61.781 62.100 -0.129 0.000 0.957 195 T CB 0.612 69.394 68.868 -0.143 0.000 0.942 195 T HN 0.100 nan 8.240 nan 0.000 0.439 196 F N 3.343 123.336 119.950 0.072 0.000 2.350 196 F HA 0.361 4.888 4.527 0.001 0.000 0.365 196 F C 0.924 176.830 175.800 0.176 0.000 1.122 196 F CA -1.027 57.054 58.000 0.135 0.000 1.139 196 F CB 0.475 39.608 39.000 0.222 0.000 1.220 196 F HN 0.350 nan 8.300 nan 0.000 0.499 197 N N 2.194 121.039 118.700 0.243 0.000 2.497 197 N HA 0.173 4.914 4.740 0.001 0.000 0.271 197 N C -0.619 175.063 175.510 0.286 0.000 1.142 197 N CA -0.194 53.000 53.050 0.239 0.000 0.965 197 N CB 1.439 40.011 38.487 0.141 0.000 1.077 197 N HN 0.192 nan 8.380 nan 0.000 0.462 198 V N 4.411 124.484 119.914 0.265 0.000 2.408 198 V HA 0.306 4.426 4.120 0.001 0.000 0.267 198 V C 0.456 176.643 176.094 0.154 0.000 1.047 198 V CA -0.179 62.257 62.300 0.227 0.000 0.937 198 V CB -0.255 31.677 31.823 0.180 0.000 0.999 198 V HN 0.465 nan 8.190 nan 0.000 0.472 199 I N 7.287 127.935 120.570 0.131 0.000 2.542 199 I HA 0.280 4.450 4.170 0.001 0.000 0.278 199 I C -1.885 174.252 176.117 0.034 0.000 1.069 199 I CA -1.541 59.807 61.300 0.080 0.000 1.100 199 I CB 2.310 40.361 38.000 0.085 0.000 1.204 199 I HN 0.384 nan 8.210 nan 0.000 0.470 200 P HA -0.092 nan 4.420 nan 0.000 0.215 200 P C -0.133 177.149 177.300 -0.031 0.000 1.153 200 P CA 1.306 64.394 63.100 -0.019 0.000 0.853 200 P CB 0.128 31.821 31.700 -0.011 0.000 0.788 201 D N -1.154 119.239 120.400 -0.013 0.000 2.256 201 D HA 0.115 4.755 4.640 0.001 0.000 0.250 201 D C -1.577 174.709 176.300 -0.023 0.000 1.093 201 D CA -1.737 52.252 54.000 -0.018 0.000 0.882 201 D CB 0.529 41.325 40.800 -0.007 0.000 1.185 201 D HN -0.023 nan 8.370 nan 0.000 0.437 202 P HA -0.156 nan 4.420 nan 0.000 0.216 202 P C 1.347 178.630 177.300 -0.028 0.000 1.153 202 P CA 1.397 64.468 63.100 -0.048 0.000 0.848 202 P CB 0.042 31.698 31.700 -0.073 0.000 0.787 203 T N -4.204 110.336 114.554 -0.023 0.000 2.867 203 T HA -0.106 4.245 4.350 0.001 0.000 0.268 203 T C 1.665 176.378 174.700 0.023 0.000 1.057 203 T CA 1.865 63.959 62.100 -0.010 0.000 1.136 203 T CB -1.768 67.091 68.868 -0.015 0.000 0.874 203 T HN 0.029 nan 8.240 nan 0.000 0.466 204 T N 1.600 116.169 114.554 0.024 0.000 2.904 204 T HA 0.049 4.400 4.350 0.001 0.000 0.267 204 T C 2.134 176.873 174.700 0.065 0.000 1.059 204 T CA 0.760 62.885 62.100 0.042 0.000 1.137 204 T CB -0.181 68.707 68.868 0.033 0.000 0.879 204 T HN 0.455 nan 8.240 nan 0.000 0.467 205 R N 1.140 121.675 120.500 0.059 0.000 2.092 205 R HA 0.092 4.433 4.340 0.001 0.000 0.231 205 R C 2.873 179.264 176.300 0.152 0.000 1.119 205 R CA 1.183 57.338 56.100 0.091 0.000 0.970 205 R CB -0.491 29.843 30.300 0.058 0.000 0.864 205 R HN 0.373 nan 8.270 nan 0.000 0.440 206 A N 0.994 123.895 122.820 0.134 0.000 1.845 206 A HA -0.131 4.189 4.320 0.001 0.000 0.215 206 A C 2.385 180.161 177.584 0.320 0.000 1.195 206 A CA 1.559 53.742 52.037 0.242 0.000 0.616 206 A CB -0.758 18.284 19.000 0.069 0.000 0.832 206 A HN 0.106 nan 8.150 nan 0.000 0.443 207 V N 0.042 120.068 119.914 0.187 0.000 2.392 207 V HA -0.291 3.829 4.120 0.001 0.000 0.249 207 V C 3.001 179.164 176.094 0.115 0.000 1.059 207 V CA 2.004 64.392 62.300 0.147 0.000 1.051 207 V CB -1.288 30.588 31.823 0.089 0.000 0.658 207 V HN 0.634 nan 8.190 nan 0.000 0.455 208 A N -0.901 121.989 122.820 0.116 0.000 1.972 208 A HA -0.202 4.119 4.320 0.001 0.000 0.219 208 A C 2.063 179.679 177.584 0.053 0.000 1.169 208 A CA 1.810 53.892 52.037 0.075 0.000 0.635 208 A CB -0.581 18.470 19.000 0.084 0.000 0.810 208 A HN 0.536 nan 8.150 nan 0.000 0.446 209 F N 0.875 120.828 119.950 0.005 0.000 2.098 209 F HA -0.065 4.462 4.527 0.001 0.000 0.294 209 F C 2.177 177.856 175.800 -0.201 0.000 1.107 209 F CA 1.945 59.884 58.000 -0.102 0.000 1.234 209 F CB -0.323 38.618 39.000 -0.099 0.000 1.002 209 F HN 0.328 nan 8.300 nan 0.000 0.472 210 E N -0.669 119.483 120.200 -0.079 0.000 2.219 210 E HA -0.235 4.115 4.350 0.001 0.000 0.198 210 E C 1.872 178.396 176.600 -0.126 0.000 0.998 210 E CA 1.761 58.109 56.400 -0.086 0.000 0.818 210 E CB -0.451 29.353 29.700 0.172 0.000 0.741 210 E HN 0.545 nan 8.360 nan 0.000 0.477 211 T N -3.642 110.842 114.554 -0.117 0.000 3.081 211 T HA 0.282 4.633 4.350 0.001 0.000 0.250 211 T C 1.505 176.114 174.700 -0.151 0.000 1.100 211 T CA 0.366 62.411 62.100 -0.092 0.000 1.038 211 T CB 0.730 69.573 68.868 -0.042 0.000 0.962 211 T HN 0.283 nan 8.240 nan 0.000 0.516 212 G N 1.290 109.926 108.800 -0.273 0.000 2.175 212 G HA2 -0.249 3.712 3.960 0.001 0.000 0.244 212 G HA3 -0.249 3.712 3.960 0.001 0.000 0.244 212 G C 0.544 175.321 174.900 -0.205 0.000 0.982 212 G CA 0.271 45.194 45.100 -0.295 0.000 0.641 212 G HN 0.480 nan 8.290 nan 0.000 0.527 213 D N 0.277 120.589 120.400 -0.146 0.000 2.144 213 D HA 0.035 4.676 4.640 0.001 0.000 0.199 213 D C 1.707 177.959 176.300 -0.080 0.000 0.984 213 D CA 1.565 55.513 54.000 -0.088 0.000 0.834 213 D CB 0.051 40.825 40.800 -0.044 0.000 0.955 213 D HN 0.891 nan 8.370 nan 0.000 0.465 214 I N -2.604 117.917 120.570 -0.082 0.000 2.646 214 I HA 0.349 4.520 4.170 0.001 0.000 0.299 214 I C -0.083 176.034 176.117 0.001 0.000 1.036 214 I CA -0.739 60.554 61.300 -0.011 0.000 1.074 214 I CB 2.381 40.428 38.000 0.079 0.000 1.258 214 I HN -0.415 nan 8.210 nan 0.000 0.430 215 D N 4.238 124.662 120.400 0.039 0.000 2.354 215 D HA 0.317 4.957 4.640 0.001 0.000 0.209 215 D C -0.066 176.372 176.300 0.230 0.000 1.015 215 D CA 0.832 54.879 54.000 0.078 0.000 0.867 215 D CB 1.196 42.004 40.800 0.014 0.000 0.933 215 D HN 0.392 nan 8.370 nan 0.000 0.520 216 L N 0.831 122.197 121.223 0.238 0.000 2.847 216 L HA 0.232 4.573 4.340 0.001 0.000 0.261 216 L C -1.998 174.942 176.870 0.117 0.000 0.926 216 L CA -0.286 54.640 54.840 0.144 0.000 1.010 216 L CB 1.532 43.661 42.059 0.118 0.000 1.538 216 L HN -0.238 nan 8.230 nan 0.000 0.465 217 L N 4.687 125.936 121.223 0.044 0.000 2.356 217 L HA 0.507 4.847 4.340 0.001 0.000 0.277 217 L C -1.492 175.452 176.870 0.124 0.000 0.996 217 L CA -0.549 54.340 54.840 0.081 0.000 0.822 217 L CB 2.131 44.192 42.059 0.004 0.000 1.256 217 L HN 0.497 nan 8.230 nan 0.000 0.413 218 Y N 2.748 123.079 120.300 0.051 0.000 2.331 218 Y HA 0.722 5.273 4.550 0.001 0.000 0.326 218 Y C -0.040 175.934 175.900 0.124 0.000 1.020 218 Y CA -0.419 57.701 58.100 0.033 0.000 1.136 218 Y CB 1.999 40.418 38.460 -0.069 0.000 1.157 218 Y HN 0.618 nan 8.280 nan 0.000 0.444 219 G N 3.874 112.788 108.800 0.190 0.000 2.355 219 G HA2 0.099 4.059 3.960 0.001 0.000 0.296 219 G HA3 0.099 4.059 3.960 0.001 0.000 0.296 219 G C -1.964 172.949 174.900 0.021 0.000 1.507 219 G CA -1.372 43.859 45.100 0.218 0.000 0.823 219 G HN 0.708 nan 8.290 nan 0.000 0.569 220 N N 0.168 118.885 118.700 0.028 0.000 2.371 220 N HA 0.253 4.994 4.740 0.001 0.000 0.243 220 N C -0.057 175.377 175.510 -0.127 0.000 1.287 220 N CA -0.300 52.720 53.050 -0.050 0.000 0.911 220 N CB 0.858 39.340 38.487 -0.008 0.000 1.142 220 N HN 0.577 nan 8.380 nan 0.000 0.451 221 E N -0.195 119.902 120.200 -0.172 0.000 2.558 221 E HA -0.007 4.343 4.350 0.001 0.000 0.255 221 E C 0.811 177.313 176.600 -0.162 0.000 0.968 221 E CA 0.709 56.981 56.400 -0.214 0.000 0.939 221 E CB 0.216 29.791 29.700 -0.208 0.000 0.921 221 E HN 0.853 nan 8.360 nan 0.000 0.477 222 G N 2.505 111.201 108.800 -0.174 0.000 2.380 222 G HA2 -0.252 3.709 3.960 0.001 0.000 0.197 222 G HA3 -0.252 3.709 3.960 0.001 0.000 0.197 222 G C 0.658 175.463 174.900 -0.159 0.000 1.001 222 G CA 0.022 45.028 45.100 -0.157 0.000 0.668 222 G HN 0.484 nan 8.290 nan 0.000 0.483 223 L N 1.410 122.536 121.223 -0.161 0.000 2.191 223 L HA 0.451 4.791 4.340 0.001 0.000 0.212 223 L C 1.123 177.927 176.870 -0.110 0.000 1.103 223 L CA 2.115 56.865 54.840 -0.150 0.000 0.769 223 L CB -0.175 41.815 42.059 -0.114 0.000 0.908 223 L HN 0.575 nan 8.230 nan 0.000 0.438 224 L N -4.977 116.174 121.223 -0.119 0.000 2.393 224 L HA 0.645 4.986 4.340 0.001 0.000 0.260 224 L C -2.590 174.194 176.870 -0.143 0.000 1.002 224 L CA -2.274 52.498 54.840 -0.114 0.000 0.818 224 L CB 0.683 42.682 42.059 -0.098 0.000 1.369 224 L HN -0.368 nan 8.230 nan 0.000 0.412 225 P HA 0.128 nan 4.420 nan 0.000 0.268 225 P C 0.548 177.733 177.300 -0.192 0.000 1.208 225 P CA -0.113 62.889 63.100 -0.165 0.000 0.777 225 P CB 0.776 32.375 31.700 -0.168 0.000 0.875 226 L N 1.395 122.507 121.223 -0.186 0.000 2.240 226 L HA -0.101 4.239 4.340 0.001 0.000 0.211 226 L C 1.802 178.462 176.870 -0.351 0.000 1.106 226 L CA 1.369 56.112 54.840 -0.162 0.000 0.793 226 L CB -0.591 41.456 42.059 -0.020 0.000 0.927 226 L HN 0.454 nan 8.230 nan 0.000 0.446 227 D N -1.658 118.338 120.400 -0.673 0.000 2.269 227 D HA -0.143 4.497 4.640 0.001 0.000 0.208 227 D C 1.725 177.757 176.300 -0.447 0.000 0.963 227 D CA 1.226 54.682 54.000 -0.906 0.000 0.864 227 D CB -0.361 39.803 40.800 -1.061 0.000 0.936 227 D HN 0.074 nan 8.370 nan 0.000 0.505 228 T N -0.413 113.910 114.554 -0.385 0.000 2.894 228 T HA 0.008 4.359 4.350 0.001 0.000 0.258 228 T C 1.372 175.716 174.700 -0.593 0.000 1.043 228 T CA 0.526 62.338 62.100 -0.480 0.000 1.141 228 T CB -0.554 67.997 68.868 -0.528 0.000 0.873 228 T HN 0.157 nan 8.240 nan 0.000 0.449 229 F N 2.618 122.260 119.950 -0.512 0.000 2.126 229 F HA -0.071 4.457 4.527 0.001 0.000 0.299 229 F C 2.439 178.151 175.800 -0.148 0.000 1.096 229 F CA 1.090 58.894 58.000 -0.327 0.000 1.255 229 F CB -0.645 38.231 39.000 -0.207 0.000 0.997 229 F HN 0.144 nan 8.300 nan 0.000 0.479 230 A N 1.066 123.855 122.820 -0.052 0.000 1.873 230 A HA -0.290 4.030 4.320 0.001 0.000 0.218 230 A C 2.384 179.900 177.584 -0.114 0.000 1.193 230 A CA 2.212 54.206 52.037 -0.072 0.000 0.629 230 A CB -1.052 17.953 19.000 0.009 0.000 0.826 230 A HN 0.561 nan 8.150 nan 0.000 0.447 231 R N -1.856 118.584 120.500 -0.100 0.000 2.096 231 R HA -0.124 4.216 4.340 0.001 0.000 0.235 231 R C 1.699 178.071 176.300 0.119 0.000 1.127 231 R CA 1.736 57.832 56.100 -0.007 0.000 0.968 231 R CB -0.473 29.823 30.300 -0.007 0.000 0.861 231 R HN 0.361 nan 8.270 nan 0.000 0.440 232 F N 1.712 121.601 119.950 -0.101 0.000 2.171 232 F HA -0.125 4.402 4.527 0.000 0.000 0.300 232 F C 2.777 178.486 175.800 -0.151 0.000 1.090 232 F CA 1.418 59.404 58.000 -0.023 0.000 1.293 232 F CB -1.090 37.865 39.000 -0.076 0.000 1.013 232 F HN 0.252 nan 8.300 nan 0.000 0.486 233 S N -0.589 115.008 115.700 -0.173 0.000 2.474 233 S HA -0.179 4.291 4.470 0.001 0.000 0.235 233 S C 1.615 176.165 174.600 -0.083 0.000 0.997 233 S CA 0.830 58.893 58.200 -0.228 0.000 0.949 233 S CB -0.528 62.443 63.200 -0.382 0.000 0.766 233 S HN 0.514 nan 8.310 nan 0.000 0.517 234 Q N 0.854 120.625 119.800 -0.048 0.000 2.451 234 Q HA 0.232 4.573 4.340 0.001 0.000 0.206 234 Q C 0.265 176.232 176.000 -0.056 0.000 0.947 234 Q CA 0.012 55.794 55.803 -0.036 0.000 0.937 234 Q CB -0.037 28.687 28.738 -0.023 0.000 1.025 234 Q HN 0.723 nan 8.270 nan 0.000 0.511 235 N N 0.762 119.409 118.700 -0.087 0.000 2.420 235 N HA 0.089 4.830 4.740 0.001 0.000 0.249 235 N C -2.104 173.296 175.510 -0.184 0.000 1.033 235 N CA -1.804 51.118 53.050 -0.213 0.000 0.944 235 N CB 1.142 39.340 38.487 -0.482 0.000 1.113 235 N HN -0.177 nan 8.380 nan 0.000 0.502 236 P HA -0.056 nan 4.420 nan 0.000 0.222 236 P C 0.524 177.791 177.300 -0.056 0.000 1.147 236 P CA 0.605 63.665 63.100 -0.067 0.000 0.790 236 P CB 0.243 31.909 31.700 -0.057 0.000 0.780 237 A N -2.397 120.336 122.820 -0.145 0.000 2.167 237 A HA -0.029 4.291 4.320 0.001 0.000 0.214 237 A C 0.358 178.028 177.584 0.144 0.000 1.151 237 A CA 0.852 52.853 52.037 -0.060 0.000 0.735 237 A CB -0.852 18.068 19.000 -0.134 0.000 0.802 237 A HN 0.073 nan 8.150 nan 0.000 0.467 238 Y N -1.676 118.631 120.300 0.012 0.000 2.534 238 Y HA 0.603 5.153 4.550 0.001 0.000 0.329 238 Y C 0.090 176.051 175.900 0.101 0.000 1.154 238 Y CA -2.207 55.929 58.100 0.060 0.000 1.192 238 Y CB 0.389 38.855 38.460 0.010 0.000 1.275 238 Y HN 0.269 nan 8.280 nan 0.000 0.491 239 H N 0.314 119.496 119.070 0.187 0.000 2.505 239 H HA 0.600 5.157 4.556 0.001 0.000 0.338 239 H C -0.822 174.524 175.328 0.030 0.000 1.057 239 H CA -0.645 55.452 56.048 0.082 0.000 1.202 239 H CB 1.122 30.922 29.762 0.063 0.000 1.466 239 H HN 0.719 nan 8.280 nan 0.000 0.499 240 T N 2.193 116.465 114.554 -0.470 0.000 2.916 240 T HA 0.670 5.021 4.350 0.001 0.000 0.292 240 T C -0.763 173.712 174.700 -0.375 0.000 1.055 240 T CA -1.034 60.838 62.100 -0.381 0.000 1.009 240 T CB 2.183 70.843 68.868 -0.347 0.000 1.118 240 T HN 0.657 nan 8.240 nan 0.000 0.497 241 Q N 0.787 120.540 119.800 -0.077 0.000 2.416 241 Q HA 0.640 4.981 4.340 0.001 0.000 0.281 241 Q C -1.552 174.572 176.000 0.207 0.000 1.067 241 Q CA -0.929 54.910 55.803 0.060 0.000 0.809 241 Q CB 3.069 31.840 28.738 0.056 0.000 1.418 241 Q HN 0.587 nan 8.270 nan 0.000 0.411 242 L N 1.941 123.264 121.223 0.168 0.000 2.349 242 L HA 0.483 4.823 4.340 0.001 0.000 0.278 242 L C -0.034 176.816 176.870 -0.033 0.000 0.996 242 L CA -0.549 54.316 54.840 0.042 0.000 0.825 242 L CB 2.022 44.112 42.059 0.051 0.000 1.243 242 L HN 0.869 nan 8.230 nan 0.000 0.412 243 S N 3.148 118.693 115.700 -0.258 0.000 2.634 243 S HA 0.291 4.762 4.470 0.001 0.000 0.261 243 S C -0.035 174.407 174.600 -0.262 0.000 1.271 243 S CA -0.609 57.273 58.200 -0.530 0.000 0.985 243 S CB 0.917 63.490 63.200 -1.044 0.000 0.968 243 S HN 0.633 nan 8.310 nan 0.000 0.568 244 Q N 1.091 120.754 119.800 -0.228 0.000 2.421 244 Q HA 0.270 4.610 4.340 0.001 0.000 0.255 244 Q C -2.289 173.631 176.000 -0.134 0.000 1.013 244 Q CA -1.576 54.148 55.803 -0.131 0.000 0.895 244 Q CB -0.190 28.491 28.738 -0.094 0.000 1.271 244 Q HN 0.471 nan 8.270 nan 0.000 0.460 245 P HA -0.120 nan 4.420 nan 0.000 0.264 245 P C -0.212 177.052 177.300 -0.060 0.000 1.179 245 P CA 0.903 63.973 63.100 -0.051 0.000 0.763 245 P CB 0.292 31.989 31.700 -0.005 0.000 0.806 246 I N 0.226 120.773 120.570 -0.038 0.000 4.323 246 I HA 0.370 4.540 4.170 0.001 0.000 0.328 246 I C 0.540 176.665 176.117 0.012 0.000 1.310 246 I CA 0.055 61.344 61.300 -0.018 0.000 1.186 246 I CB 0.179 38.173 38.000 -0.010 0.000 1.130 246 I HN 0.289 nan 8.210 nan 0.000 0.411 247 E N 0.690 120.902 120.200 0.020 0.000 2.432 247 E HA 0.367 4.718 4.350 0.001 0.000 0.279 247 E C -1.358 175.267 176.600 0.041 0.000 1.099 247 E CA -0.815 55.590 56.400 0.008 0.000 0.859 247 E CB 1.236 30.936 29.700 0.002 0.000 1.402 247 E HN -0.070 nan 8.360 nan 0.000 0.451 248 T N 0.785 115.305 114.554 -0.056 0.000 2.875 248 T HA 0.442 4.792 4.350 0.001 0.000 0.284 248 T C -0.604 173.999 174.700 -0.161 0.000 0.995 248 T CA -0.634 61.420 62.100 -0.076 0.000 1.060 248 T CB 1.530 70.279 68.868 -0.199 0.000 0.967 248 T HN 0.378 nan 8.240 nan 0.000 0.476 249 V N 5.765 125.594 119.914 -0.142 0.000 2.513 249 V HA 0.899 5.020 4.120 0.001 0.000 0.299 249 V C -0.666 175.364 176.094 -0.107 0.000 1.035 249 V CA -0.735 61.522 62.300 -0.071 0.000 0.889 249 V CB 1.128 32.956 31.823 0.008 0.000 0.988 249 V HN 0.981 nan 8.190 nan 0.000 0.440 250 M N 6.097 125.658 119.600 -0.064 0.000 3.012 250 M HA 0.514 4.995 4.480 0.001 0.000 0.272 250 M C -2.476 173.747 176.300 -0.129 0.000 1.187 250 M CA -0.834 54.399 55.300 -0.112 0.000 0.813 250 M CB 2.024 34.544 32.600 -0.134 0.000 1.626 250 M HN 0.430 nan 8.290 nan 0.000 0.507 251 L N 2.182 123.296 121.223 -0.181 0.000 2.276 251 L HA 0.706 5.046 4.340 0.001 0.000 0.286 251 L C 0.285 177.185 176.870 0.051 0.000 1.061 251 L CA -0.781 53.948 54.840 -0.186 0.000 0.807 251 L CB 1.405 43.304 42.059 -0.267 0.000 1.177 251 L HN 0.869 nan 8.230 nan 0.000 0.429 252 A N 4.669 127.543 122.820 0.090 0.000 2.302 252 A HA 0.534 4.854 4.320 0.001 0.000 0.295 252 A C -0.504 177.093 177.584 0.022 0.000 1.235 252 A CA -0.463 51.644 52.037 0.117 0.000 0.876 252 A CB 0.221 19.280 19.000 0.099 0.000 1.133 252 A HN 0.478 nan 8.150 nan 0.000 0.533 253 L N 2.929 124.137 121.223 -0.025 0.000 2.276 253 L HA 0.240 4.581 4.340 0.001 0.000 0.286 253 L C 0.520 177.432 176.870 0.070 0.000 1.061 253 L CA -0.277 54.572 54.840 0.014 0.000 0.807 253 L CB 0.781 42.798 42.059 -0.070 0.000 1.177 253 L HN 0.717 nan 8.230 nan 0.000 0.429 254 N N 1.479 120.268 118.700 0.150 0.000 2.406 254 N HA -0.044 4.696 4.740 0.001 0.000 0.269 254 N C 1.124 176.601 175.510 -0.055 0.000 1.210 254 N CA 0.336 53.404 53.050 0.029 0.000 0.966 254 N CB 0.733 39.119 38.487 -0.169 0.000 1.293 254 N HN 0.731 nan 8.380 nan 0.000 0.491 255 T N -0.063 114.450 114.554 -0.069 0.000 3.118 255 T HA 0.038 4.388 4.350 0.001 0.000 0.260 255 T C 1.478 176.131 174.700 -0.080 0.000 1.139 255 T CA 0.653 62.708 62.100 -0.075 0.000 1.085 255 T CB 0.068 68.886 68.868 -0.083 0.000 0.934 255 T HN 0.326 nan 8.240 nan 0.000 0.518 256 A N 0.609 123.364 122.820 -0.107 0.000 2.169 256 A HA 0.312 4.632 4.320 0.001 0.000 0.212 256 A C 1.064 178.590 177.584 -0.096 0.000 1.153 256 A CA 0.223 52.196 52.037 -0.108 0.000 0.756 256 A CB -0.146 18.771 19.000 -0.138 0.000 0.813 256 A HN 0.522 nan 8.150 nan 0.000 0.471 257 K N 0.107 120.450 120.400 -0.095 0.000 2.426 257 K HA 0.611 4.931 4.320 0.001 0.000 0.254 257 K C -0.357 176.222 176.600 -0.034 0.000 0.936 257 K CA -0.526 55.713 56.287 -0.079 0.000 0.801 257 K CB 1.630 34.055 32.500 -0.126 0.000 1.139 257 K HN 0.179 nan 8.250 nan 0.000 0.424 258 A N 3.983 126.802 122.820 -0.001 0.000 2.425 258 A HA 0.247 4.567 4.320 0.001 0.000 0.242 258 A C -1.708 175.893 177.584 0.029 0.000 1.077 258 A CA -0.830 51.233 52.037 0.044 0.000 0.781 258 A CB -0.091 18.962 19.000 0.087 0.000 1.020 258 A HN 0.727 nan 8.150 nan 0.000 0.494 259 P HA 0.031 nan 4.420 nan 0.000 0.261 259 P C 0.791 178.089 177.300 -0.004 0.000 1.268 259 P CA 0.844 63.977 63.100 0.055 0.000 0.833 259 P CB -0.070 31.592 31.700 -0.064 0.000 1.231 260 T N -2.314 112.221 114.554 -0.031 0.000 3.160 260 T HA -0.058 4.293 4.350 0.001 0.000 0.257 260 T C 1.400 176.085 174.700 -0.025 0.000 1.147 260 T CA 0.247 62.324 62.100 -0.039 0.000 1.064 260 T CB -1.013 67.835 68.868 -0.035 0.000 0.949 260 T HN 0.136 nan 8.240 nan 0.000 0.526 261 N N 1.436 120.133 118.700 -0.005 0.000 2.494 261 N HA -0.066 4.674 4.740 0.001 0.000 0.182 261 N C 0.045 175.562 175.510 0.013 0.000 1.076 261 N CA 0.175 53.221 53.050 -0.006 0.000 0.908 261 N CB -0.127 38.356 38.487 -0.007 0.000 0.967 261 N HN 0.554 nan 8.380 nan 0.000 0.449 262 E N 0.542 120.768 120.200 0.043 0.000 2.200 262 E HA 0.077 4.428 4.350 0.001 0.000 0.283 262 E C 0.640 177.259 176.600 0.032 0.000 1.015 262 E CA -0.622 55.815 56.400 0.061 0.000 0.819 262 E CB 1.764 31.550 29.700 0.143 0.000 1.081 262 E HN -0.046 nan 8.360 nan 0.000 0.397 263 L N 4.014 125.249 121.223 0.021 0.000 2.064 263 L HA -0.287 4.053 4.340 0.001 0.000 0.216 263 L C 1.966 178.848 176.870 0.021 0.000 1.077 263 L CA 2.515 57.360 54.840 0.008 0.000 0.766 263 L CB -0.613 41.452 42.059 0.010 0.000 0.890 263 L HN 0.735 nan 8.230 nan 0.000 0.435 264 A N -2.133 120.716 122.820 0.048 0.000 2.016 264 A HA -0.022 4.298 4.320 0.001 0.000 0.217 264 A C 2.224 179.833 177.584 0.042 0.000 1.162 264 A CA 1.260 53.332 52.037 0.059 0.000 0.662 264 A CB -0.677 18.372 19.000 0.080 0.000 0.812 264 A HN 0.279 nan 8.150 nan 0.000 0.450 265 V N 0.452 120.379 119.914 0.022 0.000 2.237 265 V HA -0.284 3.836 4.120 0.001 0.000 0.245 265 V C 2.615 178.679 176.094 -0.051 0.000 1.046 265 V CA 2.209 64.474 62.300 -0.059 0.000 1.007 265 V CB -0.851 30.902 31.823 -0.117 0.000 0.638 265 V HN 0.535 nan 8.190 nan 0.000 0.445 266 R N 0.013 120.487 120.500 -0.043 0.000 2.113 266 R HA -0.248 4.092 4.340 0.001 0.000 0.244 266 R C 2.253 178.525 176.300 -0.047 0.000 1.142 266 R CA 2.101 58.168 56.100 -0.055 0.000 0.953 266 R CB -0.510 29.751 30.300 -0.064 0.000 0.860 266 R HN 0.645 nan 8.270 nan 0.000 0.438 267 E N 0.381 120.573 120.200 -0.013 0.000 2.110 267 E HA -0.163 4.188 4.350 0.001 0.000 0.193 267 E C 2.079 178.763 176.600 0.140 0.000 0.988 267 E CA 1.100 57.523 56.400 0.038 0.000 0.804 267 E CB -0.117 29.645 29.700 0.103 0.000 0.745 267 E HN 0.385 nan 8.360 nan 0.000 0.458 268 A N 1.264 124.141 122.820 0.094 0.000 1.902 268 A HA -0.158 4.163 4.320 0.001 0.000 0.217 268 A C 2.142 179.774 177.584 0.080 0.000 1.181 268 A CA 1.002 53.100 52.037 0.101 0.000 0.623 268 A CB -0.416 18.590 19.000 0.009 0.000 0.818 268 A HN 0.227 nan 8.150 nan 0.000 0.443 269 L N 0.522 121.750 121.223 0.008 0.000 2.156 269 L HA -0.062 4.278 4.340 0.001 0.000 0.208 269 L C 1.747 178.603 176.870 -0.023 0.000 1.095 269 L CA 1.782 56.610 54.840 -0.020 0.000 0.770 269 L CB -1.067 40.958 42.059 -0.055 0.000 0.914 269 L HN 0.387 nan 8.230 nan 0.000 0.439 270 N N -1.227 117.436 118.700 -0.062 0.000 2.188 270 N HA -0.205 4.536 4.740 0.001 0.000 0.184 270 N C 1.515 176.947 175.510 -0.131 0.000 1.018 270 N CA 1.367 54.334 53.050 -0.138 0.000 0.858 270 N CB -0.140 38.196 38.487 -0.251 0.000 0.989 270 N HN 0.400 nan 8.380 nan 0.000 0.426 271 Y N 0.785 121.071 120.300 -0.024 0.000 2.561 271 Y HA 0.077 4.628 4.550 0.001 0.000 0.291 271 Y C 2.154 178.036 175.900 -0.030 0.000 1.141 271 Y CA 0.323 58.406 58.100 -0.029 0.000 1.303 271 Y CB -0.090 38.332 38.460 -0.063 0.000 1.015 271 Y HN 0.065 nan 8.280 nan 0.000 0.547 272 A N -0.795 122.110 122.820 0.142 0.000 2.044 272 A HA 0.161 4.482 4.320 0.001 0.000 0.213 272 A C 0.798 178.521 177.584 0.233 0.000 1.169 272 A CA 0.177 52.281 52.037 0.111 0.000 0.724 272 A CB -0.367 18.666 19.000 0.056 0.000 0.840 272 A HN 0.003 nan 8.150 nan 0.000 0.463 273 V N 2.066 122.094 119.914 0.191 0.000 2.461 273 V HA 0.085 4.206 4.120 0.001 0.000 0.275 273 V C 0.296 176.500 176.094 0.184 0.000 1.047 273 V CA -0.586 61.798 62.300 0.141 0.000 0.955 273 V CB 1.009 32.850 31.823 0.030 0.000 0.988 273 V HN 0.568 nan 8.190 nan 0.000 0.471 274 N N 4.597 123.263 118.700 -0.057 0.000 2.602 274 N HA 0.176 4.917 4.740 0.001 0.000 0.238 274 N C 0.902 176.255 175.510 -0.262 0.000 1.084 274 N CA -0.449 52.305 53.050 -0.493 0.000 0.952 274 N CB 0.483 38.291 38.487 -1.131 0.000 1.244 274 N HN 0.604 nan 8.380 nan 0.000 0.512 275 K N 2.411 122.718 120.400 -0.155 0.000 2.062 275 K HA -0.092 4.229 4.320 0.001 0.000 0.205 275 K C 1.566 178.086 176.600 -0.133 0.000 1.051 275 K CA 1.045 57.261 56.287 -0.120 0.000 0.941 275 K CB 0.208 32.654 32.500 -0.089 0.000 0.719 275 K HN 0.389 nan 8.250 nan 0.000 0.440 276 K N 0.824 121.141 120.400 -0.137 0.000 2.063 276 K HA -0.149 4.172 4.320 0.001 0.000 0.208 276 K C 2.396 178.908 176.600 -0.147 0.000 1.048 276 K CA 1.710 57.924 56.287 -0.122 0.000 0.928 276 K CB -0.201 32.241 32.500 -0.096 0.000 0.713 276 K HN 0.037 nan 8.250 nan 0.000 0.442 277 S N 0.920 116.505 115.700 -0.192 0.000 2.368 277 S HA -0.101 4.370 4.470 0.001 0.000 0.224 277 S C 1.924 176.423 174.600 -0.168 0.000 1.029 277 S CA 0.895 58.984 58.200 -0.186 0.000 0.988 277 S CB -0.261 62.811 63.200 -0.213 0.000 0.838 277 S HN 0.363 nan 8.310 nan 0.000 0.462 278 L N 0.454 121.583 121.223 -0.158 0.000 2.043 278 L HA -0.070 4.271 4.340 0.001 0.000 0.212 278 L C 2.232 179.029 176.870 -0.121 0.000 1.075 278 L CA 1.740 56.507 54.840 -0.123 0.000 0.752 278 L CB -0.274 41.724 42.059 -0.101 0.000 0.891 278 L HN 0.426 nan 8.230 nan 0.000 0.432 279 I N -0.566 119.930 120.570 -0.124 0.000 2.333 279 I HA -0.223 3.947 4.170 0.001 0.000 0.246 279 I C 1.926 177.954 176.117 -0.149 0.000 1.106 279 I CA 0.938 62.170 61.300 -0.113 0.000 1.411 279 I CB -0.287 37.654 38.000 -0.097 0.000 1.082 279 I HN 0.235 nan 8.210 nan 0.000 0.420 280 D N 1.076 121.375 120.400 -0.168 0.000 2.144 280 D HA -0.134 4.507 4.640 0.001 0.000 0.200 280 D C 0.858 176.949 176.300 -0.348 0.000 0.978 280 D CA 1.183 55.063 54.000 -0.199 0.000 0.833 280 D CB -0.344 40.362 40.800 -0.155 0.000 0.961 280 D HN 0.523 nan 8.370 nan 0.000 0.470 281 N N -1.301 117.179 118.700 -0.366 0.000 2.553 281 N HA 0.482 5.222 4.740 0.001 0.000 0.298 281 N C 0.050 175.289 175.510 -0.451 0.000 1.596 281 N CA -0.105 52.614 53.050 -0.552 0.000 0.910 281 N CB 1.313 39.606 38.487 -0.323 0.000 1.336 281 N HN -0.025 nan 8.380 nan 0.000 0.497 282 A N -0.739 121.875 122.820 -0.344 0.000 2.212 282 A HA 0.261 4.581 4.320 0.001 0.000 0.169 282 A C 0.977 178.656 177.584 0.159 0.000 1.802 282 A CA -0.120 51.916 52.037 -0.001 0.000 1.344 282 A CB 0.231 19.217 19.000 -0.023 0.000 1.566 282 A HN 0.183 nan 8.150 nan 0.000 0.419 283 L N -2.045 119.192 121.223 0.022 0.000 2.463 283 L HA 0.203 4.544 4.340 0.001 0.000 0.219 283 L C 0.746 177.712 176.870 0.160 0.000 1.088 283 L CA 1.167 56.049 54.840 0.070 0.000 0.849 283 L CB -0.465 41.584 42.059 -0.017 0.000 1.012 283 L HN 0.594 nan 8.230 nan 0.000 0.468 284 Y N 0.173 120.456 120.300 -0.029 0.000 4.929 284 Y HA -0.213 4.337 4.550 0.001 0.000 0.253 284 Y C 0.888 176.796 175.900 0.014 0.000 0.946 284 Y CA 0.932 59.027 58.100 -0.008 0.000 1.905 284 Y CB -1.501 36.960 38.460 0.000 0.000 1.400 284 Y HN 0.318 nan 8.280 nan 0.000 0.531 285 G N -0.539 108.334 108.800 0.121 0.000 2.992 285 G HA2 0.442 4.402 3.960 0.001 0.000 0.677 285 G HA3 0.442 4.402 3.960 0.001 0.000 0.677 285 G C 0.416 175.323 174.900 0.011 0.000 1.191 285 G CA 0.765 45.892 45.100 0.045 0.000 1.178 285 G HN 1.584 nan 8.290 nan 0.000 0.506 286 T N -1.931 112.633 114.554 0.018 0.000 13.837 286 T HA -0.299 4.052 4.350 0.001 0.000 0.419 286 T C 0.685 175.388 174.700 0.006 0.000 1.442 286 T CA 1.828 63.942 62.100 0.023 0.000 2.344 286 T CB -1.479 67.415 68.868 0.044 0.000 2.775 286 T HN 1.787 nan 8.240 nan 0.000 0.422 287 Q N 3.487 123.284 119.800 -0.005 0.000 2.421 287 Q HA 0.533 4.873 4.340 0.001 0.000 0.255 287 Q C 0.376 176.370 176.000 -0.009 0.000 1.013 287 Q CA 0.053 55.850 55.803 -0.009 0.000 0.895 287 Q CB 0.361 29.080 28.738 -0.030 0.000 1.271 287 Q HN 0.729 nan 8.270 nan 0.000 0.460 288 Q N 0.340 120.153 119.800 0.021 0.000 2.214 288 Q HA 0.381 4.722 4.340 0.001 0.000 0.251 288 Q C -0.391 175.577 176.000 -0.053 0.000 0.936 288 Q CA -0.828 54.991 55.803 0.026 0.000 0.894 288 Q CB 1.336 30.138 28.738 0.106 0.000 1.252 288 Q HN 0.335 nan 8.270 nan 0.000 0.448 289 V N 1.491 121.368 119.914 -0.062 0.000 2.529 289 V HA 0.125 4.245 4.120 0.001 0.000 0.292 289 V C 0.212 176.179 176.094 -0.213 0.000 1.028 289 V CA -0.087 62.136 62.300 -0.129 0.000 1.074 289 V CB 0.496 32.278 31.823 -0.068 0.000 0.958 289 V HN 0.793 nan 8.190 nan 0.000 0.481 290 A N 3.900 126.437 122.820 -0.473 0.000 2.309 290 A HA 0.420 4.740 4.320 0.001 0.000 0.290 290 A C 0.666 178.125 177.584 -0.209 0.000 1.206 290 A CA -0.531 51.102 52.037 -0.672 0.000 0.850 290 A CB 0.172 18.440 19.000 -1.219 0.000 1.118 290 A HN 0.859 nan 8.150 nan 0.000 0.523 291 D N 0.882 121.272 120.400 -0.016 0.000 2.327 291 D HA 0.061 4.702 4.640 0.001 0.000 0.205 291 D C 0.671 177.032 176.300 0.102 0.000 0.989 291 D CA 1.709 55.734 54.000 0.042 0.000 0.873 291 D CB 0.461 41.299 40.800 0.065 0.000 0.955 291 D HN 0.703 nan 8.370 nan 0.000 0.515 292 T N -2.257 112.362 114.554 0.109 0.000 2.864 292 T HA 0.275 4.625 4.350 0.001 0.000 0.299 292 T C 0.844 175.559 174.700 0.025 0.000 1.166 292 T CA -0.803 61.369 62.100 0.120 0.000 1.007 292 T CB 2.040 70.949 68.868 0.068 0.000 1.219 292 T HN -0.194 nan 8.240 nan 0.000 0.506 293 L N 0.393 121.568 121.223 -0.079 0.000 1.997 293 L HA 0.188 4.528 4.340 0.001 0.000 0.216 293 L C 0.045 176.555 176.870 -0.600 0.000 1.074 293 L CA 1.822 56.383 54.840 -0.466 0.000 0.763 293 L CB -0.888 40.818 42.059 -0.589 0.000 0.890 293 L HN 0.717 nan 8.230 nan 0.000 0.434 294 F N -0.659 119.233 119.950 -0.097 0.000 2.458 294 F HA 0.614 5.141 4.527 0.001 0.000 0.330 294 F C 0.822 176.553 175.800 -0.114 0.000 1.082 294 F CA -0.756 57.163 58.000 -0.134 0.000 0.995 294 F CB 0.694 39.594 39.000 -0.166 0.000 1.170 294 F HN 0.028 nan 8.300 nan 0.000 0.478 295 A N 3.411 126.127 122.820 -0.174 0.000 2.520 295 A HA 0.210 4.531 4.320 0.001 0.000 0.235 295 A C -1.728 175.706 177.584 -0.250 0.000 1.065 295 A CA -0.949 50.715 52.037 -0.622 0.000 0.764 295 A CB -0.249 18.103 19.000 -1.080 0.000 1.002 295 A HN 0.646 nan 8.150 nan 0.000 0.502 296 P HA -0.174 nan 4.420 nan 0.000 0.220 296 P C 1.409 178.625 177.300 -0.139 0.000 1.144 296 P CA 1.969 64.997 63.100 -0.121 0.000 0.800 296 P CB 0.103 31.747 31.700 -0.093 0.000 0.772 297 S N -2.477 113.110 115.700 -0.188 0.000 2.603 297 S HA 0.054 4.525 4.470 0.001 0.000 0.220 297 S C 0.750 175.255 174.600 -0.158 0.000 0.967 297 S CA -0.152 57.952 58.200 -0.160 0.000 0.920 297 S CB -0.864 62.238 63.200 -0.163 0.000 0.773 297 S HN -0.146 nan 8.310 nan 0.000 0.529 298 V N 3.577 123.392 119.914 -0.166 0.000 2.649 298 V HA 0.344 4.465 4.120 0.001 0.000 0.292 298 V C -2.243 173.716 176.094 -0.226 0.000 1.055 298 V CA -1.999 60.196 62.300 -0.175 0.000 1.023 298 V CB 0.950 32.677 31.823 -0.159 0.000 0.992 298 V HN 0.239 nan 8.190 nan 0.000 0.480 299 P HA 0.134 nan 4.420 nan 0.000 0.268 299 P C -0.566 176.487 177.300 -0.412 0.000 1.204 299 P CA 0.438 63.290 63.100 -0.412 0.000 0.768 299 P CB -0.000 31.442 31.700 -0.429 0.000 0.842 300 Y N 0.538 120.677 120.300 -0.268 0.000 4.929 300 Y HA -0.291 4.260 4.550 0.001 0.000 0.253 300 Y C 1.327 177.094 175.900 -0.223 0.000 0.946 300 Y CA 1.040 58.966 58.100 -0.290 0.000 1.905 300 Y CB -2.636 35.456 38.460 -0.613 0.000 1.400 300 Y HN 0.466 nan 8.280 nan 0.000 0.531 301 A N -0.568 122.193 122.820 -0.098 0.000 2.470 301 A HA 0.339 4.660 4.320 0.001 0.000 0.251 301 A C 0.619 178.188 177.584 -0.025 0.000 1.245 301 A CA 0.205 52.214 52.037 -0.046 0.000 0.932 301 A CB -0.009 18.956 19.000 -0.058 0.000 1.037 301 A HN 0.278 nan 8.150 nan 0.000 0.522 302 N N 1.000 119.673 118.700 -0.044 0.000 2.663 302 N HA 0.376 5.117 4.740 0.001 0.000 0.250 302 N C 0.210 175.711 175.510 -0.015 0.000 1.129 302 N CA 0.042 53.069 53.050 -0.039 0.000 0.995 302 N CB -0.066 38.388 38.487 -0.055 0.000 1.324 302 N HN 0.326 nan 8.380 nan 0.000 0.512 303 L N 1.233 122.450 121.223 -0.011 0.000 2.858 303 L HA 0.393 4.734 4.340 0.001 0.000 0.251 303 L C 1.266 178.125 176.870 -0.017 0.000 1.149 303 L CA -0.167 54.673 54.840 -0.000 0.000 0.955 303 L CB 0.170 42.240 42.059 0.018 0.000 1.289 303 L HN 0.602 nan 8.230 nan 0.000 0.542 304 G N 1.623 110.405 108.800 -0.029 0.000 2.249 304 G HA2 -0.287 3.674 3.960 0.001 0.000 0.273 304 G HA3 -0.287 3.674 3.960 0.001 0.000 0.273 304 G C 0.250 175.118 174.900 -0.052 0.000 1.036 304 G CA -0.010 45.072 45.100 -0.029 0.000 0.824 304 G HN 0.242 nan 8.290 nan 0.000 0.504 305 L N -0.649 120.506 121.223 -0.115 0.000 2.483 305 L HA 0.188 4.529 4.340 0.001 0.000 0.276 305 L C 1.283 178.052 176.870 -0.169 0.000 1.213 305 L CA -0.276 54.425 54.840 -0.232 0.000 0.843 305 L CB 0.431 42.153 42.059 -0.561 0.000 1.107 305 L HN 0.220 nan 8.230 nan 0.000 0.487 306 K N 5.328 125.692 120.400 -0.059 0.000 2.405 306 K HA 0.035 4.356 4.320 0.001 0.000 0.276 306 K C -2.034 174.638 176.600 0.119 0.000 1.099 306 K CA -0.741 55.590 56.287 0.074 0.000 1.120 306 K CB 0.144 32.731 32.500 0.146 0.000 0.877 306 K HN 0.198 nan 8.250 nan 0.000 0.472 310 Y N 2.882 123.231 120.300 0.081 0.000 2.804 310 Y HA 0.262 4.813 4.550 0.001 0.000 0.338 310 Y C -0.856 175.116 175.900 0.120 0.000 1.252 310 Y CA 1.263 59.420 58.100 0.094 0.000 1.576 310 Y CB 0.570 39.051 38.460 0.035 0.000 1.223 310 Y HN 0.573 nan 8.280 nan 0.000 0.536 311 D N 8.380 128.620 120.400 -0.268 0.000 2.445 311 D HA 0.216 4.857 4.640 0.001 0.000 0.236 311 D C -2.519 173.564 176.300 -0.363 0.000 1.315 311 D CA -1.644 52.164 54.000 -0.319 0.000 0.924 311 D CB 1.338 42.044 40.800 -0.156 0.000 1.447 311 D HN 0.260 nan 8.370 nan 0.000 0.532 312 P HA -0.095 nan 4.420 nan 0.000 0.221 312 P C 1.389 178.570 177.300 -0.197 0.000 1.150 312 P CA 0.763 63.686 63.100 -0.296 0.000 0.800 312 P CB 0.437 31.967 31.700 -0.284 0.000 0.787 313 Q N 0.493 120.172 119.800 -0.201 0.000 2.050 313 Q HA -0.224 4.117 4.340 0.001 0.000 0.202 313 Q C 2.188 178.081 176.000 -0.179 0.000 0.980 313 Q CA 1.717 57.429 55.803 -0.152 0.000 0.840 313 Q CB -0.261 28.400 28.738 -0.129 0.000 0.898 313 Q HN 0.001 nan 8.270 nan 0.000 0.424 314 K N -0.024 120.215 120.400 -0.267 0.000 2.057 314 K HA -0.106 4.215 4.320 0.001 0.000 0.207 314 K C 1.877 178.284 176.600 -0.321 0.000 1.049 314 K CA 1.285 57.347 56.287 -0.374 0.000 0.931 314 K CB -0.317 31.767 32.500 -0.694 0.000 0.714 314 K HN 0.307 nan 8.250 nan 0.000 0.440 315 A N 1.096 123.766 122.820 -0.251 0.000 1.908 315 A HA -0.216 4.104 4.320 0.001 0.000 0.218 315 A C 1.839 179.382 177.584 -0.069 0.000 1.181 315 A CA 1.920 53.899 52.037 -0.098 0.000 0.627 315 A CB -0.432 18.551 19.000 -0.028 0.000 0.818 315 A HN 0.335 nan 8.150 nan 0.000 0.445 316 K N -0.426 119.928 120.400 -0.076 0.000 2.283 316 K HA 0.061 4.381 4.320 0.001 0.000 0.202 316 K C 2.115 178.697 176.600 -0.030 0.000 1.048 316 K CA 0.861 57.123 56.287 -0.042 0.000 0.948 316 K CB -0.204 32.271 32.500 -0.042 0.000 0.742 316 K HN 0.459 nan 8.250 nan 0.000 0.458 317 A N 1.154 123.940 122.820 -0.057 0.000 1.935 317 A HA -0.010 4.310 4.320 0.001 0.000 0.214 317 A C 2.048 179.622 177.584 -0.017 0.000 1.178 317 A CA 0.696 52.708 52.037 -0.042 0.000 0.640 317 A CB -0.382 18.577 19.000 -0.068 0.000 0.825 317 A HN 0.102 nan 8.150 nan 0.000 0.447 318 L N -0.709 120.498 121.223 -0.026 0.000 2.012 318 L HA -0.190 4.151 4.340 0.001 0.000 0.210 318 L C 2.442 179.350 176.870 0.063 0.000 1.073 318 L CA 0.787 55.635 54.840 0.013 0.000 0.748 318 L CB -0.495 41.572 42.059 0.014 0.000 0.891 318 L HN 0.276 nan 8.230 nan 0.000 0.431 319 L N -0.131 121.128 121.223 0.061 0.000 2.017 319 L HA -0.218 4.122 4.340 0.001 0.000 0.208 319 L C 2.569 179.560 176.870 0.201 0.000 1.073 319 L CA 1.711 56.634 54.840 0.138 0.000 0.745 319 L CB -1.038 41.053 42.059 0.055 0.000 0.894 319 L HN 0.259 nan 8.230 nan 0.000 0.432 320 E N -0.241 120.024 120.200 0.109 0.000 2.085 320 E HA -0.266 4.085 4.350 0.001 0.000 0.194 320 E C 2.207 178.844 176.600 0.062 0.000 0.994 320 E CA 1.422 57.871 56.400 0.082 0.000 0.801 320 E CB 0.010 29.733 29.700 0.038 0.000 0.743 320 E HN 0.147 nan 8.360 nan 0.000 0.453 321 K N 0.154 120.586 120.400 0.053 0.000 2.026 321 K HA 0.011 4.331 4.320 0.001 0.000 0.208 321 K C 1.627 178.251 176.600 0.041 0.000 1.048 321 K CA 1.479 57.787 56.287 0.035 0.000 0.929 321 K CB -0.572 31.943 32.500 0.026 0.000 0.713 321 K HN 0.166 nan 8.250 nan 0.000 0.439 322 A N -0.309 122.567 122.820 0.093 0.000 2.263 322 A HA 0.212 4.532 4.320 0.001 0.000 0.205 322 A C 1.066 178.626 177.584 -0.041 0.000 1.226 322 A CA 0.872 52.961 52.037 0.086 0.000 0.810 322 A CB -1.187 17.943 19.000 0.216 0.000 0.784 322 A HN 0.547 nan 8.150 nan 0.000 0.486 323 G N -2.418 106.349 108.800 -0.054 0.000 2.198 323 G HA2 -0.268 3.693 3.960 0.001 0.000 0.257 323 G HA3 -0.268 3.693 3.960 0.001 0.000 0.257 323 G C -0.321 174.397 174.900 -0.303 0.000 1.042 323 G CA 0.165 45.160 45.100 -0.174 0.000 0.791 323 G HN 0.568 nan 8.290 nan 0.000 0.502 324 W N 1.324 122.618 121.300 -0.010 0.000 2.288 324 W HA 0.579 5.240 4.660 0.001 0.000 0.325 324 W C 0.898 177.411 176.519 -0.010 0.000 1.019 324 W CA -0.143 57.197 57.345 -0.009 0.000 1.403 324 W CB 0.774 30.230 29.460 -0.007 0.000 1.226 324 W HN 0.386 nan 8.180 nan 0.000 0.391 325 T N -0.364 114.279 114.554 0.147 0.000 2.952 325 T HA 0.619 4.969 4.350 0.001 0.000 0.286 325 T C -0.440 174.313 174.700 0.088 0.000 1.024 325 T CA -1.002 61.150 62.100 0.087 0.000 1.029 325 T CB 1.400 70.287 68.868 0.032 0.000 1.094 325 T HN 0.218 nan 8.240 nan 0.000 0.515 326 L N 3.095 124.353 121.223 0.059 0.000 2.325 326 L HA 0.322 4.663 4.340 0.001 0.000 0.284 326 L C -1.714 175.177 176.870 0.036 0.000 1.089 326 L CA -1.990 52.879 54.840 0.049 0.000 0.836 326 L CB 0.729 42.808 42.059 0.033 0.000 1.184 326 L HN 0.575 nan 8.230 nan 0.000 0.444 327 P HA 0.043 nan 4.420 nan 0.000 0.268 327 P C -0.438 176.874 177.300 0.020 0.000 1.204 327 P CA -0.445 62.671 63.100 0.027 0.000 0.768 327 P CB 0.768 32.486 31.700 0.030 0.000 0.842 328 A N 3.157 125.985 122.820 0.013 0.000 2.567 328 A HA 0.282 4.603 4.320 0.001 0.000 0.263 328 A C 1.628 179.218 177.584 0.011 0.000 1.030 328 A CA 0.744 52.787 52.037 0.010 0.000 0.833 328 A CB -1.671 17.333 19.000 0.007 0.000 0.924 328 A HN 0.986 nan 8.150 nan 0.000 0.518 329 G N 2.233 111.039 108.800 0.011 0.000 2.212 329 G HA2 -0.293 3.667 3.960 0.001 0.000 0.267 329 G HA3 -0.293 3.667 3.960 0.001 0.000 0.267 329 G C 0.259 175.167 174.900 0.012 0.000 1.002 329 G CA 1.313 46.419 45.100 0.010 0.000 0.729 329 G HN 0.930 nan 8.290 nan 0.000 0.517 330 K N -0.969 119.441 120.400 0.016 0.000 2.245 330 K HA 0.574 4.895 4.320 0.001 0.000 0.234 330 K C 0.388 177.000 176.600 0.020 0.000 1.021 330 K CA -0.718 55.580 56.287 0.019 0.000 0.898 330 K CB 1.058 33.572 32.500 0.023 0.000 1.163 330 K HN -0.042 nan 8.250 nan 0.000 0.459 331 D N -0.069 120.344 120.400 0.020 0.000 2.431 331 D HA 0.077 4.717 4.640 0.001 0.000 0.227 331 D C 0.123 176.436 176.300 0.022 0.000 1.030 331 D CA 0.507 54.518 54.000 0.019 0.000 0.897 331 D CB 0.552 41.361 40.800 0.014 0.000 1.058 331 D HN 0.195 nan 8.370 nan 0.000 0.500 332 I N 2.724 123.310 120.570 0.027 0.000 2.352 332 I HA 0.128 4.299 4.170 0.001 0.000 0.290 332 I C 0.977 177.129 176.117 0.058 0.000 1.036 332 I CA -0.453 60.865 61.300 0.031 0.000 1.336 332 I CB 0.290 38.306 38.000 0.028 0.000 1.407 332 I HN -0.266 nan 8.210 nan 0.000 0.497 333 R N 4.735 125.278 120.500 0.071 0.000 2.756 333 R HA 0.180 4.521 4.340 0.001 0.000 0.264 333 R C -0.127 176.322 176.300 0.250 0.000 1.026 333 R CA 0.149 56.339 56.100 0.150 0.000 1.121 333 R CB 0.629 31.034 30.300 0.175 0.000 0.999 333 R HN 0.545 nan 8.270 nan 0.000 0.449 334 E N 1.047 121.414 120.200 0.278 0.000 2.314 334 E HA 0.222 4.573 4.350 0.001 0.000 0.272 334 E C -1.263 175.398 176.600 0.102 0.000 0.884 334 E CA -0.855 55.686 56.400 0.236 0.000 0.753 334 E CB 2.578 32.340 29.700 0.104 0.000 1.213 334 E HN 0.248 nan 8.360 nan 0.000 0.432 335 K N 2.246 122.577 120.400 -0.115 0.000 2.502 335 K HA 0.272 4.592 4.320 0.001 0.000 0.254 335 K C -0.886 175.543 176.600 -0.285 0.000 0.947 335 K CA -0.362 55.639 56.287 -0.478 0.000 0.834 335 K CB 0.497 32.193 32.500 -1.340 0.000 1.112 335 K HN 0.545 nan 8.250 nan 0.000 0.427 336 N N 3.448 122.031 118.700 -0.194 0.000 2.714 336 N HA -0.208 4.533 4.740 0.001 0.000 0.253 336 N C 0.449 175.917 175.510 -0.071 0.000 1.024 336 N CA 1.384 54.362 53.050 -0.119 0.000 0.726 336 N CB -0.893 37.519 38.487 -0.124 0.000 0.908 336 N HN 1.033 nan 8.380 nan 0.000 0.542 337 G N -1.216 107.557 108.800 -0.045 0.000 2.180 337 G HA2 -0.395 3.566 3.960 0.001 0.000 0.263 337 G HA3 -0.395 3.566 3.960 0.001 0.000 0.263 337 G C -0.016 174.894 174.900 0.016 0.000 0.989 337 G CA 0.872 45.967 45.100 -0.009 0.000 0.692 337 G HN 0.674 nan 8.290 nan 0.000 0.526 338 Q N 0.776 120.587 119.800 0.019 0.000 2.303 338 Q HA 0.602 4.943 4.340 0.001 0.000 0.257 338 Q C -2.460 173.663 176.000 0.205 0.000 0.941 338 Q CA -2.476 53.383 55.803 0.093 0.000 0.931 338 Q CB 1.550 30.347 28.738 0.097 0.000 1.215 338 Q HN 0.215 nan 8.270 nan 0.000 0.437 339 P HA 0.006 nan 4.420 nan 0.000 0.275 339 P C -0.866 176.564 177.300 0.217 0.000 1.227 339 P CA -0.555 62.656 63.100 0.185 0.000 0.781 339 P CB 0.474 32.232 31.700 0.097 0.000 0.906 340 L N 4.751 126.068 121.223 0.156 0.000 2.699 340 L HA 0.025 4.366 4.340 0.001 0.000 0.283 340 L C 0.224 177.012 176.870 -0.136 0.000 1.166 340 L CA 0.939 55.654 54.840 -0.209 0.000 1.043 340 L CB -1.305 40.519 42.059 -0.391 0.000 1.369 340 L HN 0.253 nan 8.230 nan 0.000 0.462 341 R N 5.824 126.275 120.500 -0.082 0.000 2.637 341 R HA 0.762 5.103 4.340 0.001 0.000 0.291 341 R C -1.034 175.232 176.300 -0.057 0.000 0.963 341 R CA -0.857 55.217 56.100 -0.044 0.000 0.901 341 R CB 2.075 32.378 30.300 0.005 0.000 1.160 341 R HN 0.488 nan 8.270 nan 0.000 0.457 342 I N 0.721 121.267 120.570 -0.041 0.000 2.752 342 I HA 0.239 4.409 4.170 0.001 0.000 0.295 342 I C -0.660 175.464 176.117 0.011 0.000 1.219 342 I CA -0.786 60.497 61.300 -0.028 0.000 1.030 342 I CB 2.706 40.674 38.000 -0.054 0.000 1.259 342 I HN 0.584 nan 8.210 nan 0.000 0.423 343 E N 5.678 125.899 120.200 0.035 0.000 2.158 343 E HA 0.467 4.818 4.350 0.001 0.000 0.271 343 E C -1.899 174.762 176.600 0.102 0.000 0.911 343 E CA -0.774 55.664 56.400 0.064 0.000 0.767 343 E CB 2.183 31.917 29.700 0.057 0.000 1.120 343 E HN 0.459 nan 8.360 nan 0.000 0.405 344 L N 4.431 125.735 121.223 0.134 0.000 2.298 344 L HA 0.422 4.763 4.340 0.001 0.000 0.284 344 L C -1.094 175.959 176.870 0.306 0.000 1.013 344 L CA -0.326 54.632 54.840 0.198 0.000 0.824 344 L CB 1.184 43.359 42.059 0.194 0.000 1.221 344 L HN 0.559 nan 8.230 nan 0.000 0.418 345 S N 4.296 120.168 115.700 0.287 0.000 2.621 345 S HA 0.950 5.420 4.470 0.001 0.000 0.302 345 S C -0.638 174.231 174.600 0.448 0.000 1.093 345 S CA -0.603 57.726 58.200 0.216 0.000 1.017 345 S CB 1.633 64.880 63.200 0.079 0.000 1.077 345 S HN 0.633 nan 8.310 nan 0.000 0.517 346 F N -2.369 117.665 119.950 0.139 0.000 2.744 346 F HA 0.550 5.077 4.527 0.001 0.000 0.311 346 F C -1.597 174.189 175.800 -0.023 0.000 1.144 346 F CA -1.589 56.461 58.000 0.084 0.000 0.938 346 F CB 0.397 39.355 39.000 -0.070 0.000 1.292 346 F HN 0.453 nan 8.300 nan 0.000 0.444 347 I N 2.598 123.225 120.570 0.096 0.000 2.494 347 I HA 0.213 4.383 4.170 0.001 0.000 0.289 347 I C 1.503 177.636 176.117 0.027 0.000 1.106 347 I CA 0.388 61.673 61.300 -0.026 0.000 1.369 347 I CB 0.846 38.817 38.000 -0.048 0.000 1.410 347 I HN 1.028 nan 8.210 nan 0.000 0.523 348 G N 3.807 112.566 108.800 -0.067 0.000 2.498 348 G HA2 -0.220 3.740 3.960 0.001 0.000 0.219 348 G HA3 -0.220 3.740 3.960 0.001 0.000 0.219 348 G C 1.341 176.250 174.900 0.015 0.000 1.119 348 G CA 1.062 46.170 45.100 0.014 0.000 0.766 348 G HN 0.684 nan 8.290 nan 0.000 0.552 349 T N -2.574 111.954 114.554 -0.043 0.000 3.219 349 T HA 0.161 4.511 4.350 0.001 0.000 0.249 349 T C 0.228 174.869 174.700 -0.098 0.000 1.099 349 T CA -0.114 61.943 62.100 -0.072 0.000 0.988 349 T CB 0.337 69.143 68.868 -0.103 0.000 0.999 349 T HN 0.119 nan 8.240 nan 0.000 0.550 350 D N 0.743 121.094 120.400 -0.082 0.000 2.414 350 D HA 0.523 5.164 4.640 0.001 0.000 0.232 350 D C 1.107 177.327 176.300 -0.134 0.000 1.070 350 D CA -0.360 53.567 54.000 -0.121 0.000 0.839 350 D CB 1.763 42.488 40.800 -0.125 0.000 1.079 350 D HN 0.143 nan 8.370 nan 0.000 0.521 351 A N 4.085 126.824 122.820 -0.135 0.000 1.972 351 A HA -0.163 4.157 4.320 0.001 0.000 0.219 351 A C 1.882 179.365 177.584 -0.167 0.000 1.169 351 A CA 0.831 52.788 52.037 -0.134 0.000 0.635 351 A CB -0.223 18.703 19.000 -0.123 0.000 0.810 351 A HN 0.594 nan 8.150 nan 0.000 0.446 352 L N -0.320 120.793 121.223 -0.183 0.000 2.044 352 L HA -0.054 4.287 4.340 0.001 0.000 0.205 352 L C 2.564 179.244 176.870 -0.317 0.000 1.075 352 L CA 2.475 57.199 54.840 -0.193 0.000 0.747 352 L CB -0.510 41.454 42.059 -0.158 0.000 0.903 352 L HN 0.280 nan 8.230 nan 0.000 0.435 353 S N -0.451 114.968 115.700 -0.467 0.000 2.355 353 S HA -0.215 4.255 4.470 0.001 0.000 0.222 353 S C 1.911 175.931 174.600 -0.968 0.000 1.031 353 S CA 1.432 59.039 58.200 -0.988 0.000 0.993 353 S CB -0.340 62.257 63.200 -1.004 0.000 0.859 353 S HN 0.353 nan 8.310 nan 0.000 0.453 354 K N 1.831 121.847 120.400 -0.639 0.000 2.052 354 K HA -0.181 4.139 4.320 0.001 0.000 0.215 354 K C 2.196 178.550 176.600 -0.409 0.000 1.053 354 K CA 2.182 58.143 56.287 -0.543 0.000 0.934 354 K CB -0.380 32.009 32.500 -0.185 0.000 0.717 354 K HN 0.445 nan 8.250 nan 0.000 0.450 355 S N -0.163 115.377 115.700 -0.266 0.000 2.414 355 S HA -0.048 4.423 4.470 0.001 0.000 0.227 355 S C 2.041 176.560 174.600 -0.135 0.000 1.022 355 S CA 1.076 59.181 58.200 -0.157 0.000 0.958 355 S CB -0.257 62.892 63.200 -0.085 0.000 0.797 355 S HN 0.237 nan 8.310 nan 0.000 0.493 356 M N 1.887 121.398 119.600 -0.149 0.000 2.117 356 M HA -0.063 4.418 4.480 0.001 0.000 0.262 356 M C 2.706 179.005 176.300 -0.001 0.000 1.065 356 M CA 1.568 56.847 55.300 -0.036 0.000 1.114 356 M CB -0.780 31.863 32.600 0.073 0.000 1.361 356 M HN 0.506 nan 8.290 nan 0.000 0.408 357 A N 0.518 123.270 122.820 -0.114 0.000 1.908 357 A HA -0.180 4.140 4.320 0.001 0.000 0.218 357 A C 2.000 179.539 177.584 -0.074 0.000 1.181 357 A CA 1.694 53.670 52.037 -0.102 0.000 0.627 357 A CB -0.598 18.072 19.000 -0.551 0.000 0.818 357 A HN 0.483 nan 8.150 nan 0.000 0.445 358 E N 0.030 120.166 120.200 -0.107 0.000 2.077 358 E HA -0.151 4.199 4.350 0.001 0.000 0.193 358 E C 2.074 178.659 176.600 -0.025 0.000 0.989 358 E CA 1.060 57.433 56.400 -0.046 0.000 0.800 358 E CB -0.446 29.229 29.700 -0.042 0.000 0.746 358 E HN 0.616 nan 8.360 nan 0.000 0.452 359 I N 1.181 121.731 120.570 -0.033 0.000 2.163 359 I HA -0.212 3.959 4.170 0.001 0.000 0.240 359 I C 2.658 178.767 176.117 -0.013 0.000 1.081 359 I CA 0.922 62.206 61.300 -0.026 0.000 1.353 359 I CB -0.859 37.117 38.000 -0.039 0.000 1.054 359 I HN 0.044 nan 8.210 nan 0.000 0.407 360 I N 0.719 121.286 120.570 -0.006 0.000 2.194 360 I HA -0.368 3.802 4.170 0.001 0.000 0.246 360 I C 2.752 178.872 176.117 0.006 0.000 1.093 360 I CA 1.540 62.840 61.300 -0.000 0.000 1.355 360 I CB -0.504 37.495 38.000 -0.002 0.000 1.046 360 I HN 0.361 nan 8.210 nan 0.000 0.413 361 Q N 0.948 120.755 119.800 0.013 0.000 2.234 361 Q HA -0.239 4.102 4.340 0.001 0.000 0.206 361 Q C 2.143 178.151 176.000 0.013 0.000 0.980 361 Q CA 1.835 57.650 55.803 0.019 0.000 0.869 361 Q CB -0.013 28.744 28.738 0.032 0.000 0.912 361 Q HN 0.599 nan 8.270 nan 0.000 0.436 362 A N 0.447 123.273 122.820 0.009 0.000 1.943 362 A HA -0.079 4.242 4.320 0.001 0.000 0.213 362 A C 1.612 179.208 177.584 0.019 0.000 1.181 362 A CA 0.958 53.001 52.037 0.011 0.000 0.653 362 A CB -0.115 18.888 19.000 0.005 0.000 0.833 362 A HN 0.415 nan 8.150 nan 0.000 0.451 363 D N 0.535 120.949 120.400 0.024 0.000 2.178 363 D HA -0.144 4.497 4.640 0.001 0.000 0.201 363 D C 1.976 178.303 176.300 0.045 0.000 0.980 363 D CA 1.501 55.533 54.000 0.053 0.000 0.842 363 D CB -0.277 40.568 40.800 0.075 0.000 0.948 363 D HN 0.492 nan 8.370 nan 0.000 0.472 364 M N 0.261 119.873 119.600 0.020 0.000 2.319 364 M HA -0.011 4.470 4.480 0.001 0.000 0.265 364 M C 2.200 178.496 176.300 -0.007 0.000 1.068 364 M CA 0.722 56.022 55.300 -0.001 0.000 1.118 364 M CB -0.652 31.934 32.600 -0.022 0.000 1.395 364 M HN -0.114 nan 8.290 nan 0.000 0.435 365 R N 1.069 121.571 120.500 0.002 0.000 2.152 365 R HA -0.110 4.231 4.340 0.001 0.000 0.232 365 R C 2.127 178.430 176.300 0.004 0.000 1.117 365 R CA 1.219 57.319 56.100 0.001 0.000 0.981 365 R CB -0.044 30.260 30.300 0.007 0.000 0.870 365 R HN 0.328 nan 8.270 nan 0.000 0.451 366 Q N 0.276 120.084 119.800 0.013 0.000 2.364 366 Q HA -0.096 4.245 4.340 0.001 0.000 0.207 366 Q C 1.785 177.787 176.000 0.002 0.000 0.970 366 Q CA 1.374 57.187 55.803 0.016 0.000 0.888 366 Q CB 0.176 28.936 28.738 0.037 0.000 0.951 366 Q HN 0.691 nan 8.270 nan 0.000 0.469 367 I N -6.409 114.157 120.570 -0.008 0.000 4.227 367 I HA 0.469 4.640 4.170 0.001 0.000 0.334 367 I C 0.889 176.991 176.117 -0.024 0.000 1.341 367 I CA 0.472 61.760 61.300 -0.021 0.000 1.123 367 I CB 0.994 38.976 38.000 -0.030 0.000 1.097 367 I HN 0.016 nan 8.210 nan 0.000 0.399 368 G N 1.609 110.395 108.800 -0.024 0.000 2.147 368 G HA2 0.096 4.056 3.960 0.001 0.000 0.128 368 G HA3 0.096 4.056 3.960 0.001 0.000 0.128 368 G C 0.017 174.888 174.900 -0.048 0.000 1.026 368 G CA -0.229 44.859 45.100 -0.019 0.000 0.693 368 G HN 0.791 nan 8.290 nan 0.000 0.499 369 A N 0.197 122.977 122.820 -0.066 0.000 2.330 369 A HA 0.705 5.026 4.320 0.001 0.000 0.327 369 A C -0.720 176.830 177.584 -0.057 0.000 1.155 369 A CA -0.166 51.811 52.037 -0.101 0.000 0.803 369 A CB 1.469 20.390 19.000 -0.132 0.000 1.208 369 A HN 0.358 nan 8.150 nan 0.000 0.477 370 D N 2.267 122.635 120.400 -0.052 0.000 2.441 370 D HA 0.371 5.012 4.640 0.001 0.000 0.231 370 D C -0.727 175.564 176.300 -0.015 0.000 1.073 370 D CA -0.100 53.888 54.000 -0.020 0.000 0.850 370 D CB 1.328 42.125 40.800 -0.006 0.000 1.062 370 D HN 0.487 nan 8.370 nan 0.000 0.524 371 V N 2.334 122.247 119.914 -0.001 0.000 2.483 371 V HA 0.730 4.851 4.120 0.001 0.000 0.295 371 V C -0.576 175.542 176.094 0.040 0.000 1.035 371 V CA -0.400 61.909 62.300 0.015 0.000 0.896 371 V CB 1.670 33.501 31.823 0.014 0.000 0.986 371 V HN 0.475 nan 8.190 nan 0.000 0.447 372 S N 6.704 122.436 115.700 0.053 0.000 2.475 372 S HA 0.717 5.188 4.470 0.001 0.000 0.298 372 S C -0.650 174.017 174.600 0.111 0.000 1.119 372 S CA -0.544 57.697 58.200 0.068 0.000 1.085 372 S CB 1.327 64.557 63.200 0.050 0.000 1.028 372 S HN 0.695 nan 8.310 nan 0.000 0.489 373 L N 3.202 124.514 121.223 0.148 0.000 2.349 373 L HA 0.458 4.799 4.340 0.001 0.000 0.275 373 L C -0.113 176.843 176.870 0.143 0.000 1.115 373 L CA 0.180 55.182 54.840 0.270 0.000 0.820 373 L CB 0.301 42.577 42.059 0.362 0.000 1.135 373 L HN 0.605 nan 8.230 nan 0.000 0.445 374 I N 3.000 123.591 120.570 0.035 0.000 2.563 374 I HA 0.290 4.461 4.170 0.001 0.000 0.276 374 I C 0.557 176.242 176.117 -0.720 0.000 1.074 374 I CA -0.402 60.776 61.300 -0.204 0.000 1.124 374 I CB 1.216 39.160 38.000 -0.093 0.000 1.225 374 I HN 0.631 nan 8.210 nan 0.000 0.482 375 G N 4.836 113.081 108.800 -0.925 0.000 2.403 375 G HA2 0.523 4.484 3.960 0.001 0.000 0.259 375 G HA3 0.523 4.484 3.960 0.001 0.000 0.259 375 G C -0.364 174.251 174.900 -0.476 0.000 1.244 375 G CA 0.014 44.449 45.100 -1.109 0.000 0.849 375 G HN 0.671 nan 8.290 nan 0.000 0.532 376 E N 0.719 120.698 120.200 -0.368 0.000 2.445 376 E HA 0.170 4.520 4.350 0.001 0.000 0.279 376 E C -0.731 175.769 176.600 -0.166 0.000 1.018 376 E CA -0.802 55.474 56.400 -0.206 0.000 0.816 376 E CB 2.022 31.623 29.700 -0.165 0.000 1.356 376 E HN 0.596 nan 8.360 nan 0.000 0.462 377 E N 0.876 120.999 120.200 -0.128 0.000 2.425 377 E HA -0.084 4.267 4.350 0.001 0.000 0.258 377 E C 0.724 177.225 176.600 -0.165 0.000 1.151 377 E CA 0.341 56.666 56.400 -0.125 0.000 0.958 377 E CB 0.600 30.240 29.700 -0.100 0.000 0.968 377 E HN 0.484 nan 8.360 nan 0.000 0.451 378 E N 0.744 120.821 120.200 -0.206 0.000 2.051 378 E HA -0.233 4.118 4.350 0.001 0.000 0.192 378 E C 1.933 178.288 176.600 -0.408 0.000 0.991 378 E CA 1.413 57.591 56.400 -0.369 0.000 0.799 378 E CB -0.004 29.462 29.700 -0.390 0.000 0.748 378 E HN 0.567 nan 8.360 nan 0.000 0.449 379 S N -0.279 115.277 115.700 -0.240 0.000 2.413 379 S HA -0.245 4.226 4.470 0.001 0.000 0.237 379 S C 2.133 176.678 174.600 -0.093 0.000 1.044 379 S CA 1.857 59.974 58.200 -0.139 0.000 1.024 379 S CB -0.395 62.756 63.200 -0.081 0.000 0.829 379 S HN 0.136 nan 8.310 nan 0.000 0.475 380 S N 0.472 116.110 115.700 -0.103 0.000 2.404 380 S HA 0.231 4.702 4.470 0.001 0.000 0.223 380 S C 1.785 176.369 174.600 -0.026 0.000 1.040 380 S CA 0.509 58.675 58.200 -0.057 0.000 0.957 380 S CB -0.308 62.851 63.200 -0.069 0.000 0.826 380 S HN 0.459 nan 8.310 nan 0.000 0.491 381 I N 1.460 121.998 120.570 -0.053 0.000 2.163 381 I HA -0.152 4.019 4.170 0.001 0.000 0.243 381 I C 2.065 178.283 176.117 0.168 0.000 1.085 381 I CA 1.566 62.885 61.300 0.031 0.000 1.347 381 I CB -1.604 36.408 38.000 0.020 0.000 1.044 381 I HN 0.327 nan 8.210 nan 0.000 0.408 382 Y N 1.230 121.489 120.300 -0.068 0.000 2.145 382 Y HA -0.117 4.434 4.550 0.001 0.000 0.286 382 Y C 2.778 178.614 175.900 -0.107 0.000 1.145 382 Y CA 0.671 58.691 58.100 -0.134 0.000 1.148 382 Y CB -1.546 36.809 38.460 -0.175 0.000 0.981 382 Y HN 0.139 nan 8.280 nan 0.000 0.507 383 A N 0.564 123.436 122.820 0.086 0.000 1.892 383 A HA -0.261 4.060 4.320 0.001 0.000 0.218 383 A C 2.399 180.026 177.584 0.071 0.000 1.188 383 A CA 2.118 54.181 52.037 0.043 0.000 0.631 383 A CB -0.691 18.322 19.000 0.022 0.000 0.822 383 A HN 0.445 nan 8.150 nan 0.000 0.447 384 R N -0.845 119.717 120.500 0.103 0.000 2.092 384 R HA -0.115 4.225 4.340 0.001 0.000 0.231 384 R C 2.475 178.964 176.300 0.315 0.000 1.119 384 R CA 1.399 57.611 56.100 0.187 0.000 0.970 384 R CB -0.339 30.082 30.300 0.203 0.000 0.864 384 R HN 0.697 nan 8.270 nan 0.000 0.440 385 Q N 0.227 120.126 119.800 0.166 0.000 2.061 385 Q HA -0.132 4.209 4.340 0.001 0.000 0.204 385 Q C 2.202 178.313 176.000 0.185 0.000 0.984 385 Q CA 1.336 57.203 55.803 0.106 0.000 0.846 385 Q CB -0.039 28.641 28.738 -0.096 0.000 0.902 385 Q HN 0.272 nan 8.270 nan 0.000 0.421 386 R N 0.401 120.938 120.500 0.062 0.000 2.092 386 R HA -0.108 4.233 4.340 0.001 0.000 0.231 386 R C 1.116 177.461 176.300 0.074 0.000 1.119 386 R CA 1.208 57.323 56.100 0.025 0.000 0.970 386 R CB -0.034 30.235 30.300 -0.052 0.000 0.864 386 R HN 0.326 nan 8.270 nan 0.000 0.440 387 D N -1.429 119.026 120.400 0.091 0.000 2.366 387 D HA 0.085 4.725 4.640 0.001 0.000 0.205 387 D C 0.999 177.319 176.300 0.033 0.000 1.022 387 D CA 0.822 54.854 54.000 0.053 0.000 0.868 387 D CB 0.576 41.395 40.800 0.032 0.000 0.953 387 D HN 0.380 nan 8.370 nan 0.000 0.514 388 G N 1.465 110.304 108.800 0.065 0.000 2.137 388 G HA2 -0.299 3.662 3.960 0.001 0.000 0.237 388 G HA3 -0.299 3.662 3.960 0.001 0.000 0.237 388 G C 0.387 175.025 174.900 -0.437 0.000 1.002 388 G CA -0.429 44.507 45.100 -0.274 0.000 0.702 388 G HN 0.226 nan 8.290 nan 0.000 0.515 389 R N 0.081 120.526 120.500 -0.093 0.000 4.138 389 R HA 0.493 4.834 4.340 0.001 0.000 0.206 389 R C -0.111 176.246 176.300 0.096 0.000 1.667 389 R CA 0.353 56.427 56.100 -0.043 0.000 1.481 389 R CB -0.677 29.645 30.300 0.038 0.000 1.388 389 R HN 0.570 nan 8.270 nan 0.000 0.776 390 F N -4.288 115.664 119.950 0.004 0.000 2.713 390 F HA 0.521 5.048 4.527 0.001 0.000 0.311 390 F C 0.548 176.347 175.800 -0.002 0.000 1.141 390 F CA -1.236 56.768 58.000 0.007 0.000 0.939 390 F CB 0.569 39.579 39.000 0.017 0.000 1.325 390 F HN -0.029 nan 8.300 nan 0.000 0.453 391 G N 0.107 109.037 108.800 0.217 0.000 2.692 391 G HA2 0.363 4.324 3.960 0.001 0.000 0.209 391 G HA3 0.363 4.324 3.960 0.001 0.000 0.209 391 G C -0.474 174.564 174.900 0.230 0.000 1.166 391 G CA 0.066 45.239 45.100 0.122 0.000 0.844 391 G HN 0.529 nan 8.290 nan 0.000 0.596 392 M N 0.233 119.963 119.600 0.216 0.000 2.393 392 M HA 0.685 5.166 4.480 0.001 0.000 0.299 392 M C -1.917 174.432 176.300 0.081 0.000 1.103 392 M CA -0.614 54.754 55.300 0.113 0.000 0.910 392 M CB 3.130 35.743 32.600 0.022 0.000 1.659 392 M HN 0.154 nan 8.290 nan 0.000 0.445 393 I N 1.950 122.474 120.570 -0.077 0.000 2.802 393 I HA 0.533 4.703 4.170 0.001 0.000 0.298 393 I C -1.616 174.440 176.117 -0.103 0.000 1.176 393 I CA -0.517 60.706 61.300 -0.128 0.000 1.025 393 I CB 1.702 39.389 38.000 -0.523 0.000 1.243 393 I HN 0.580 nan 8.210 nan 0.000 0.424 394 F N 5.361 125.342 119.950 0.052 0.000 2.399 394 F HA 0.447 4.975 4.527 0.001 0.000 0.342 394 F C 0.076 175.971 175.800 0.159 0.000 1.106 394 F CA 0.675 58.737 58.000 0.103 0.000 1.196 394 F CB 0.615 39.694 39.000 0.131 0.000 1.163 394 F HN 0.456 nan 8.300 nan 0.000 0.547 395 H N 2.480 121.657 119.070 0.180 0.000 3.064 395 H HA 0.596 5.152 4.556 0.001 0.000 0.352 395 H C -1.365 174.014 175.328 0.085 0.000 1.260 395 H CA -1.270 54.859 56.048 0.135 0.000 1.160 395 H CB 1.354 31.163 29.762 0.078 0.000 1.879 395 H HN 0.652 nan 8.280 nan 0.000 0.544 396 R N 0.833 121.265 120.500 -0.113 0.000 2.698 396 R HA 0.449 4.790 4.340 0.001 0.000 0.275 396 R C -0.322 175.685 176.300 -0.488 0.000 1.001 396 R CA -0.637 55.336 56.100 -0.212 0.000 0.896 396 R CB 2.055 32.384 30.300 0.048 0.000 1.218 396 R HN 0.824 nan 8.270 nan 0.000 0.462 397 T N -1.828 112.337 114.554 -0.649 0.000 2.732 397 T HA 0.188 4.538 4.350 0.001 0.000 0.287 397 T C 0.247 174.781 174.700 -0.276 0.000 0.993 397 T CA -0.193 61.328 62.100 -0.965 0.000 0.966 397 T CB 0.621 68.876 68.868 -1.023 0.000 1.047 397 T HN 0.608 nan 8.240 nan 0.000 0.527 398 W N 0.050 121.255 121.300 -0.159 0.000 2.870 398 W HA 0.493 5.153 4.660 0.001 0.000 0.358 398 W C 1.215 177.759 176.519 0.041 0.000 1.043 398 W CA -0.070 57.209 57.345 -0.111 0.000 1.692 398 W CB -1.303 27.968 29.460 -0.315 0.000 1.100 398 W HN 1.407 nan 8.180 nan 0.000 0.557 399 G N 1.426 110.381 108.800 0.258 0.000 2.741 399 G HA2 0.055 4.016 3.960 0.001 0.000 0.222 399 G HA3 0.055 4.016 3.960 0.001 0.000 0.222 399 G C -0.027 175.048 174.900 0.291 0.000 1.364 399 G CA -0.514 44.724 45.100 0.231 0.000 0.866 399 G HN 0.458 nan 8.290 nan 0.000 0.555 400 A N 0.664 123.605 122.820 0.201 0.000 2.477 400 A HA 0.653 4.973 4.320 0.001 0.000 0.246 400 A C -0.471 177.122 177.584 0.016 0.000 1.078 400 A CA -0.030 52.089 52.037 0.137 0.000 0.770 400 A CB 0.528 19.651 19.000 0.205 0.000 1.011 400 A HN 0.778 nan 8.150 nan 0.000 0.494 401 P HA 0.085 nan 4.420 nan 0.000 0.261 401 P C 0.100 177.369 177.300 -0.052 0.000 1.352 401 P CA 0.473 63.378 63.100 -0.325 0.000 0.891 401 P CB -0.081 31.145 31.700 -0.789 0.000 1.383 402 Y N 0.068 120.430 120.300 0.104 0.000 2.373 402 Y HA -0.013 4.538 4.550 0.001 0.000 0.293 402 Y C 0.828 176.807 175.900 0.132 0.000 1.129 402 Y CA 0.694 58.908 58.100 0.189 0.000 1.226 402 Y CB -0.487 38.264 38.460 0.485 0.000 1.000 402 Y HN -0.052 nan 8.280 nan 0.000 0.549 403 D N 0.802 121.355 120.400 0.255 0.000 2.274 403 D HA 0.136 4.776 4.640 0.001 0.000 0.239 403 D C -1.607 174.631 176.300 -0.103 0.000 1.104 403 D CA -1.908 52.133 54.000 0.068 0.000 0.840 403 D CB 1.333 42.191 40.800 0.097 0.000 1.100 403 D HN 0.098 nan 8.370 nan 0.000 0.477 404 P HA -0.052 nan 4.420 nan 0.000 0.245 404 P C 1.244 178.608 177.300 0.107 0.000 1.199 404 P CA 0.483 63.326 63.100 -0.429 0.000 0.807 404 P CB 0.300 31.482 31.700 -0.865 0.000 1.002 405 H N 1.432 120.602 119.070 0.167 0.000 2.267 405 H HA -0.016 4.540 4.556 0.001 0.000 0.297 405 H C 1.567 177.071 175.328 0.293 0.000 1.080 405 H CA 1.964 58.179 56.048 0.278 0.000 1.278 405 H CB -0.974 28.934 29.762 0.243 0.000 1.365 405 H HN 0.021 nan 8.280 nan 0.000 0.489 406 A N 0.330 122.774 122.820 -0.627 0.000 2.066 406 A HA -0.036 4.284 4.320 0.001 0.000 0.218 406 A C 2.370 180.137 177.584 0.304 0.000 1.157 406 A CA 0.753 52.739 52.037 -0.086 0.000 0.670 406 A CB -1.134 17.916 19.000 0.083 0.000 0.804 406 A HN 0.493 nan 8.150 nan 0.000 0.453 407 F N 0.598 120.595 119.950 0.077 0.000 2.113 407 F HA -0.084 4.443 4.527 0.001 0.000 0.297 407 F C 1.871 177.668 175.800 -0.005 0.000 1.103 407 F CA 1.616 59.492 58.000 -0.208 0.000 1.248 407 F CB -0.136 38.699 39.000 -0.274 0.000 0.999 407 F HN 0.139 nan 8.300 nan 0.000 0.475 408 L N -0.834 120.554 121.223 0.276 0.000 2.083 408 L HA -0.226 4.115 4.340 0.001 0.000 0.209 408 L C 2.722 179.672 176.870 0.134 0.000 1.083 408 L CA 1.415 56.387 54.840 0.219 0.000 0.752 408 L CB -1.156 41.085 42.059 0.304 0.000 0.899 408 L HN 0.214 nan 8.230 nan 0.000 0.433 409 S N 0.065 115.864 115.700 0.165 0.000 2.359 409 S HA -0.248 4.222 4.470 0.001 0.000 0.224 409 S C 2.270 176.981 174.600 0.185 0.000 1.035 409 S CA 1.856 60.159 58.200 0.170 0.000 1.018 409 S CB -0.338 62.974 63.200 0.187 0.000 0.876 409 S HN 0.583 nan 8.310 nan 0.000 0.448 410 S N 0.855 116.696 115.700 0.236 0.000 2.493 410 S HA -0.083 4.388 4.470 0.001 0.000 0.243 410 S C 1.710 176.396 174.600 0.143 0.000 0.991 410 S CA 1.341 59.713 58.200 0.286 0.000 0.957 410 S CB -0.688 62.744 63.200 0.387 0.000 0.756 410 S HN 0.675 nan 8.310 nan 0.000 0.521 411 M N 0.178 119.827 119.600 0.083 0.000 2.562 411 M HA 0.156 4.636 4.480 0.001 0.000 0.257 411 M C 1.999 178.496 176.300 0.327 0.000 1.099 411 M CA 0.618 56.009 55.300 0.151 0.000 1.099 411 M CB -0.226 32.438 32.600 0.106 0.000 1.427 411 M HN 0.262 nan 8.290 nan 0.000 0.489 412 R N -0.095 120.570 120.500 0.274 0.000 2.313 412 R HA 0.206 4.546 4.340 0.001 0.000 0.199 412 R C -0.210 176.270 176.300 0.299 0.000 0.958 412 R CA 0.188 56.479 56.100 0.319 0.000 1.047 412 R CB 0.374 30.780 30.300 0.177 0.000 0.955 412 R HN 0.113 nan 8.270 nan 0.000 0.481 413 V N 1.065 121.018 119.914 0.065 0.000 2.969 413 V HA 0.221 4.342 4.120 0.001 0.000 0.304 413 V C -2.577 173.199 176.094 -0.530 0.000 1.192 413 V CA -2.401 59.664 62.300 -0.392 0.000 0.962 413 V CB 2.776 34.545 31.823 -0.091 0.000 1.045 413 V HN -0.121 nan 8.190 nan 0.000 0.428 414 P HA 0.148 nan 4.420 nan 0.000 0.260 414 P C -0.027 177.170 177.300 -0.173 0.000 1.185 414 P CA 1.022 63.892 63.100 -0.383 0.000 0.763 414 P CB 0.895 32.394 31.700 -0.334 0.000 0.776 415 S N 2.406 118.065 115.700 -0.067 0.000 4.848 415 S HA 0.149 4.619 4.470 0.001 0.000 0.151 415 S C 0.376 174.902 174.600 -0.123 0.000 1.055 415 S CA -0.076 58.081 58.200 -0.072 0.000 1.208 415 S CB -0.121 63.137 63.200 0.096 0.000 2.035 415 S HN 0.422 nan 8.310 nan 0.000 0.792 416 H N -0.327 118.696 119.070 -0.079 0.000 3.348 416 H HA 0.548 5.104 4.556 0.001 0.000 0.199 416 H C 1.538 176.798 175.328 -0.113 0.000 1.596 416 H CA 0.025 55.998 56.048 -0.126 0.000 1.703 416 H CB 0.344 30.101 29.762 -0.009 0.000 1.296 416 H HN 0.517 nan 8.280 nan 0.000 0.970 417 A N 0.195 122.906 122.820 -0.182 0.000 2.070 417 A HA -0.164 4.157 4.320 0.001 0.000 0.220 417 A C 1.526 179.183 177.584 0.121 0.000 1.159 417 A CA 2.011 53.954 52.037 -0.157 0.000 0.656 417 A CB -0.780 17.861 19.000 -0.597 0.000 0.800 417 A HN 0.639 nan 8.150 nan 0.000 0.453 418 D N -1.033 119.448 120.400 0.134 0.000 2.084 418 D HA -0.117 4.524 4.640 0.001 0.000 0.196 418 D C 1.540 177.963 176.300 0.205 0.000 0.985 418 D CA 1.359 55.489 54.000 0.216 0.000 0.826 418 D CB -0.340 40.578 40.800 0.196 0.000 0.978 418 D HN 0.468 nan 8.370 nan 0.000 0.456 419 F N 1.495 121.489 119.950 0.073 0.000 2.091 419 F HA -0.281 4.247 4.527 0.001 0.000 0.299 419 F C 2.243 178.079 175.800 0.059 0.000 1.103 419 F CA 1.490 59.526 58.000 0.059 0.000 1.228 419 F CB -0.010 39.019 39.000 0.049 0.000 0.984 419 F HN -0.133 nan 8.300 nan 0.000 0.477 420 Q N 0.139 120.137 119.800 0.330 0.000 2.079 420 Q HA -0.091 4.250 4.340 0.001 0.000 0.200 420 Q C 2.481 178.501 176.000 0.034 0.000 0.974 420 Q CA 1.396 57.308 55.803 0.181 0.000 0.840 420 Q CB -0.871 28.004 28.738 0.228 0.000 0.898 420 Q HN 0.550 nan 8.270 nan 0.000 0.430 421 A N 0.687 123.603 122.820 0.160 0.000 2.067 421 A HA -0.150 4.171 4.320 0.001 0.000 0.219 421 A C 1.763 179.318 177.584 -0.049 0.000 1.158 421 A CA 1.006 53.108 52.037 0.109 0.000 0.661 421 A CB -0.171 18.940 19.000 0.184 0.000 0.801 421 A HN 0.350 nan 8.150 nan 0.000 0.452 422 Q N -0.816 118.932 119.800 -0.087 0.000 2.360 422 Q HA 0.036 4.377 4.340 0.001 0.000 0.202 422 Q C 1.379 177.271 176.000 -0.181 0.000 0.915 422 Q CA -0.073 55.651 55.803 -0.131 0.000 0.943 422 Q CB 0.197 28.874 28.738 -0.102 0.000 1.064 422 Q HN 0.562 nan 8.270 nan 0.000 0.511 423 Q N -0.284 119.383 119.800 -0.221 0.000 2.291 423 Q HA -0.089 4.252 4.340 0.001 0.000 0.206 423 Q C 1.665 177.578 176.000 -0.146 0.000 0.976 423 Q CA 1.364 57.028 55.803 -0.232 0.000 0.875 423 Q CB -0.166 28.440 28.738 -0.221 0.000 0.927 423 Q HN 0.425 nan 8.270 nan 0.000 0.450 424 G N -0.078 108.654 108.800 -0.115 0.000 3.181 424 G HA2 0.204 4.165 3.960 0.001 0.000 0.219 424 G HA3 0.204 4.165 3.960 0.001 0.000 0.219 424 G C 0.298 175.157 174.900 -0.070 0.000 1.182 424 G CA -0.231 44.820 45.100 -0.082 0.000 0.791 424 G HN 0.120 nan 8.290 nan 0.000 0.537 425 L N 1.047 122.222 121.223 -0.080 0.000 2.264 425 L HA 0.369 4.710 4.340 0.001 0.000 0.289 425 L C 1.788 178.629 176.870 -0.048 0.000 1.044 425 L CA -0.805 53.999 54.840 -0.060 0.000 0.807 425 L CB 1.650 43.673 42.059 -0.061 0.000 1.192 425 L HN 0.116 nan 8.230 nan 0.000 0.425 426 A N 2.815 125.615 122.820 -0.032 0.000 1.958 426 A HA -0.234 4.087 4.320 0.001 0.000 0.221 426 A C 1.511 179.083 177.584 -0.020 0.000 1.178 426 A CA 2.196 54.220 52.037 -0.023 0.000 0.642 426 A CB -0.396 18.596 19.000 -0.013 0.000 0.816 426 A HN 0.905 nan 8.150 nan 0.000 0.453 427 D N -1.339 119.052 120.400 -0.016 0.000 2.342 427 D HA 0.051 4.692 4.640 0.001 0.000 0.221 427 D C 1.212 177.506 176.300 -0.010 0.000 1.101 427 D CA 0.534 54.530 54.000 -0.007 0.000 0.837 427 D CB 0.019 40.822 40.800 0.006 0.000 0.938 427 D HN 0.343 nan 8.370 nan 0.000 0.508 428 K N 1.720 122.101 120.400 -0.032 0.000 2.063 428 K HA -0.087 4.234 4.320 0.001 0.000 0.208 428 K C -0.872 175.713 176.600 -0.026 0.000 1.048 428 K CA 1.373 57.633 56.287 -0.046 0.000 0.928 428 K CB -1.151 31.284 32.500 -0.108 0.000 0.713 428 K HN 0.123 nan 8.250 nan 0.000 0.442 429 P HA -0.113 nan 4.420 nan 0.000 0.218 429 P C 1.197 178.507 177.300 0.016 0.000 1.149 429 P CA 0.814 63.917 63.100 0.004 0.000 0.817 429 P CB 0.010 31.713 31.700 0.004 0.000 0.785 430 L N -0.671 120.559 121.223 0.012 0.000 2.027 430 L HA -0.099 4.242 4.340 0.001 0.000 0.206 430 L C 2.156 179.040 176.870 0.024 0.000 1.074 430 L CA 1.669 56.519 54.840 0.017 0.000 0.745 430 L CB -1.186 40.882 42.059 0.015 0.000 0.898 430 L HN -0.141 nan 8.230 nan 0.000 0.433 431 I N -0.211 120.376 120.570 0.027 0.000 2.163 431 I HA -0.325 3.846 4.170 0.001 0.000 0.243 431 I C 2.016 178.161 176.117 0.047 0.000 1.085 431 I CA 1.592 62.917 61.300 0.041 0.000 1.347 431 I CB -0.586 37.443 38.000 0.048 0.000 1.044 431 I HN 0.288 nan 8.210 nan 0.000 0.408 432 D N 0.637 121.065 120.400 0.047 0.000 2.144 432 D HA -0.178 4.462 4.640 0.001 0.000 0.200 432 D C 2.092 178.424 176.300 0.053 0.000 0.978 432 D CA 1.011 55.050 54.000 0.065 0.000 0.833 432 D CB -0.218 40.629 40.800 0.079 0.000 0.961 432 D HN 0.263 nan 8.370 nan 0.000 0.470 433 K N 0.877 121.301 120.400 0.039 0.000 2.026 433 K HA -0.143 4.177 4.320 0.001 0.000 0.208 433 K C 1.801 178.413 176.600 0.020 0.000 1.048 433 K CA 1.061 57.367 56.287 0.031 0.000 0.929 433 K CB 0.088 32.603 32.500 0.025 0.000 0.713 433 K HN 0.112 nan 8.250 nan 0.000 0.439 434 E N 0.409 120.617 120.200 0.014 0.000 2.110 434 E HA -0.166 4.185 4.350 0.001 0.000 0.193 434 E C 2.046 178.628 176.600 -0.030 0.000 0.988 434 E CA 1.150 57.545 56.400 -0.008 0.000 0.804 434 E CB -0.090 29.606 29.700 -0.006 0.000 0.745 434 E HN 0.344 nan 8.360 nan 0.000 0.458 435 I N 0.777 121.347 120.570 0.001 0.000 2.286 435 I HA -0.197 3.974 4.170 0.001 0.000 0.248 435 I C 2.536 178.662 176.117 0.014 0.000 1.115 435 I CA 1.156 62.459 61.300 0.004 0.000 1.392 435 I CB -0.495 37.544 38.000 0.065 0.000 1.065 435 I HN 0.155 nan 8.210 nan 0.000 0.418 436 G N 0.404 109.223 108.800 0.031 0.000 2.440 436 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 436 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 436 G C 1.534 176.452 174.900 0.031 0.000 1.154 436 G CA 0.756 45.881 45.100 0.040 0.000 0.767 436 G HN 0.422 nan 8.290 nan 0.000 0.552 437 E N 0.034 120.237 120.200 0.005 0.000 2.072 437 E HA -0.081 4.270 4.350 0.001 0.000 0.191 437 E C 2.838 179.417 176.600 -0.036 0.000 0.985 437 E CA 1.255 57.651 56.400 -0.005 0.000 0.801 437 E CB -0.163 29.528 29.700 -0.015 0.000 0.750 437 E HN 0.430 nan 8.360 nan 0.000 0.452 438 V N -0.356 119.491 119.914 -0.112 0.000 2.407 438 V HA -0.211 3.910 4.120 0.001 0.000 0.248 438 V C 2.027 178.112 176.094 -0.015 0.000 1.055 438 V CA 1.197 63.371 62.300 -0.210 0.000 1.049 438 V CB -0.517 30.952 31.823 -0.590 0.000 0.662 438 V HN 0.130 nan 8.190 nan 0.000 0.455 439 L N 0.692 121.942 121.223 0.044 0.000 2.217 439 L HA 0.213 4.554 4.340 0.001 0.000 0.211 439 L C 2.657 179.615 176.870 0.147 0.000 1.107 439 L CA 1.743 56.639 54.840 0.094 0.000 0.783 439 L CB -1.517 40.628 42.059 0.143 0.000 0.919 439 L HN 0.437 nan 8.230 nan 0.000 0.442 440 A N -1.969 120.934 122.820 0.139 0.000 1.943 440 A HA -0.018 4.303 4.320 0.001 0.000 0.213 440 A C 1.495 179.147 177.584 0.114 0.000 1.181 440 A CA 0.760 52.887 52.037 0.151 0.000 0.653 440 A CB -0.465 18.608 19.000 0.121 0.000 0.833 440 A HN 0.317 nan 8.150 nan 0.000 0.451 441 T N -0.428 114.156 114.554 0.050 0.000 2.901 441 T HA 0.198 4.549 4.350 0.001 0.000 0.301 441 T C 0.537 175.106 174.700 -0.218 0.000 1.012 441 T CA -0.183 61.910 62.100 -0.012 0.000 1.135 441 T CB 0.032 68.882 68.868 -0.030 0.000 0.936 441 T HN 0.423 nan 8.240 nan 0.000 0.539 442 H N 2.573 121.616 119.070 -0.046 0.000 2.551 442 H HA 0.163 4.720 4.556 0.001 0.000 0.271 442 H C -0.118 175.152 175.328 -0.096 0.000 0.984 442 H CA -0.187 55.797 56.048 -0.106 0.000 1.164 442 H CB 0.505 30.248 29.762 -0.031 0.000 1.437 442 H HN 0.571 nan 8.280 nan 0.000 0.550 443 D N 1.280 121.683 120.400 0.004 0.000 2.313 443 D HA 0.020 4.661 4.640 0.001 0.000 0.239 443 D C 1.132 177.412 176.300 -0.032 0.000 1.142 443 D CA -0.204 53.796 54.000 -0.001 0.000 0.847 443 D CB 1.139 41.947 40.800 0.013 0.000 1.082 443 D HN -0.049 nan 8.370 nan 0.000 0.480 444 E N 1.917 122.109 120.200 -0.013 0.000 2.118 444 E HA -0.145 4.206 4.350 0.001 0.000 0.195 444 E C 1.620 178.243 176.600 0.039 0.000 0.992 444 E CA 1.239 57.650 56.400 0.017 0.000 0.804 444 E CB -0.266 29.455 29.700 0.035 0.000 0.741 444 E HN 0.566 nan 8.360 nan 0.000 0.458 445 T N 1.609 116.179 114.554 0.028 0.000 2.737 445 T HA -0.139 4.211 4.350 0.001 0.000 0.265 445 T C 1.969 176.683 174.700 0.023 0.000 1.038 445 T CA 1.222 63.342 62.100 0.032 0.000 1.144 445 T CB -0.158 68.725 68.868 0.026 0.000 0.866 445 T HN 0.225 nan 8.240 nan 0.000 0.434 446 Q N 0.352 120.154 119.800 0.004 0.000 2.119 446 Q HA -0.029 4.312 4.340 0.001 0.000 0.201 446 Q C 2.544 178.519 176.000 -0.042 0.000 0.972 446 Q CA 0.973 56.768 55.803 -0.013 0.000 0.847 446 Q CB -0.115 28.614 28.738 -0.014 0.000 0.903 446 Q HN 0.380 nan 8.270 nan 0.000 0.433 447 R N 0.850 121.315 120.500 -0.058 0.000 2.070 447 R HA -0.184 4.156 4.340 0.001 0.000 0.233 447 R C 2.223 178.509 176.300 -0.023 0.000 1.137 447 R CA 1.729 57.757 56.100 -0.121 0.000 0.945 447 R CB 0.001 30.207 30.300 -0.157 0.000 0.845 447 R HN 0.322 nan 8.270 nan 0.000 0.430 448 Q N -0.475 119.387 119.800 0.104 0.000 2.112 448 Q HA -0.205 4.135 4.340 0.001 0.000 0.206 448 Q C 2.080 178.162 176.000 0.137 0.000 0.987 448 Q CA 1.897 57.820 55.803 0.200 0.000 0.858 448 Q CB -0.205 28.649 28.738 0.193 0.000 0.905 448 Q HN 0.432 nan 8.270 nan 0.000 0.420 449 A N 0.459 123.320 122.820 0.069 0.000 1.929 449 A HA -0.116 4.204 4.320 0.001 0.000 0.216 449 A C 1.990 179.592 177.584 0.031 0.000 1.176 449 A CA 0.786 52.853 52.037 0.051 0.000 0.628 449 A CB -0.280 18.739 19.000 0.031 0.000 0.816 449 A HN 0.199 nan 8.150 nan 0.000 0.444 450 L N -1.316 119.890 121.223 -0.027 0.000 2.017 450 L HA -0.114 4.226 4.340 0.001 0.000 0.208 450 L C 2.327 179.156 176.870 -0.070 0.000 1.073 450 L CA 1.659 56.449 54.840 -0.084 0.000 0.745 450 L CB -1.637 40.308 42.059 -0.190 0.000 0.894 450 L HN 0.552 nan 8.230 nan 0.000 0.432 451 Y N -0.394 119.888 120.300 -0.031 0.000 2.207 451 Y HA -0.290 4.261 4.550 0.001 0.000 0.287 451 Y C 2.866 178.792 175.900 0.044 0.000 1.156 451 Y CA 1.564 59.659 58.100 -0.008 0.000 1.182 451 Y CB -0.186 38.240 38.460 -0.056 0.000 0.979 451 Y HN 0.176 nan 8.280 nan 0.000 0.521 452 R N 0.496 121.117 120.500 0.201 0.000 2.066 452 R HA -0.192 4.149 4.340 0.001 0.000 0.232 452 R C 1.803 178.175 176.300 0.120 0.000 1.131 452 R CA 2.109 58.296 56.100 0.144 0.000 0.955 452 R CB -0.408 29.956 30.300 0.106 0.000 0.851 452 R HN 0.299 nan 8.270 nan 0.000 0.432 453 D N -0.049 120.407 120.400 0.093 0.000 2.097 453 D HA -0.129 4.512 4.640 0.001 0.000 0.195 453 D C 1.902 178.260 176.300 0.098 0.000 0.989 453 D CA 1.508 55.555 54.000 0.078 0.000 0.827 453 D CB 0.030 40.860 40.800 0.049 0.000 0.966 453 D HN 0.307 nan 8.370 nan 0.000 0.456 454 I N 0.017 120.652 120.570 0.108 0.000 2.179 454 I HA -0.240 3.931 4.170 0.001 0.000 0.242 454 I C 2.250 178.481 176.117 0.189 0.000 1.088 454 I CA 0.810 62.192 61.300 0.136 0.000 1.357 454 I CB -0.173 37.910 38.000 0.138 0.000 1.051 454 I HN 0.127 nan 8.210 nan 0.000 0.409 455 L N -0.361 120.995 121.223 0.221 0.000 2.156 455 L HA -0.138 4.203 4.340 0.001 0.000 0.208 455 L C 2.544 179.542 176.870 0.213 0.000 1.095 455 L CA 1.178 56.166 54.840 0.247 0.000 0.770 455 L CB -0.931 41.281 42.059 0.256 0.000 0.914 455 L HN 0.258 nan 8.230 nan 0.000 0.439 456 T N -0.593 114.061 114.554 0.167 0.000 2.737 456 T HA -0.136 4.214 4.350 0.001 0.000 0.265 456 T C 2.044 176.843 174.700 0.165 0.000 1.038 456 T CA 1.082 63.275 62.100 0.155 0.000 1.144 456 T CB -0.147 68.786 68.868 0.108 0.000 0.866 456 T HN 0.274 nan 8.240 nan 0.000 0.434 457 R N 0.674 121.253 120.500 0.131 0.000 2.083 457 R HA 0.002 4.343 4.340 0.001 0.000 0.237 457 R C 2.518 178.886 176.300 0.115 0.000 1.137 457 R CA 1.191 57.354 56.100 0.105 0.000 0.951 457 R CB -0.714 29.636 30.300 0.083 0.000 0.851 457 R HN 0.351 nan 8.270 nan 0.000 0.434 458 L N -0.808 120.511 121.223 0.160 0.000 2.046 458 L HA -0.224 4.116 4.340 0.001 0.000 0.208 458 L C 2.559 179.528 176.870 0.165 0.000 1.077 458 L CA 1.556 56.500 54.840 0.174 0.000 0.747 458 L CB -0.560 41.676 42.059 0.296 0.000 0.896 458 L HN 0.286 nan 8.230 nan 0.000 0.432 459 H N 0.239 119.380 119.070 0.118 0.000 2.299 459 H HA -0.176 4.381 4.556 0.001 0.000 0.302 459 H C 1.849 177.206 175.328 0.048 0.000 1.078 459 H CA 2.004 58.105 56.048 0.088 0.000 1.323 459 H CB 0.041 29.852 29.762 0.081 0.000 1.381 459 H HN 0.178 nan 8.280 nan 0.000 0.498 460 D N 0.225 120.681 120.400 0.093 0.000 2.221 460 D HA -0.119 4.522 4.640 0.001 0.000 0.204 460 D C 1.316 177.597 176.300 -0.032 0.000 0.982 460 D CA 1.245 55.262 54.000 0.028 0.000 0.857 460 D CB -0.128 40.719 40.800 0.078 0.000 0.934 460 D HN 0.644 nan 8.370 nan 0.000 0.475 461 E N -0.348 119.835 120.200 -0.028 0.000 2.479 461 E HA 0.331 4.681 4.350 0.001 0.000 0.193 461 E C 0.426 176.971 176.600 -0.092 0.000 1.049 461 E CA 0.253 56.625 56.400 -0.047 0.000 0.870 461 E CB 0.388 30.071 29.700 -0.030 0.000 0.944 461 E HN 0.122 nan 8.360 nan 0.000 0.492 462 A N 0.669 123.407 122.820 -0.137 0.000 2.739 462 A HA -0.202 4.119 4.320 0.001 0.000 0.296 462 A C 1.339 178.822 177.584 -0.169 0.000 1.488 462 A CA 0.529 52.465 52.037 -0.168 0.000 0.746 462 A CB -2.376 16.536 19.000 -0.148 0.000 1.047 462 A HN 0.213 nan 8.150 nan 0.000 0.477 463 V N -1.698 118.083 119.914 -0.222 0.000 2.453 463 V HA -0.076 4.045 4.120 0.001 0.000 0.247 463 V C 1.251 176.982 176.094 -0.604 0.000 1.048 463 V CA 1.955 63.998 62.300 -0.429 0.000 1.049 463 V CB -0.522 30.942 31.823 -0.598 0.000 0.672 463 V HN 0.655 nan 8.190 nan 0.000 0.457 464 Y N -1.226 119.049 120.300 -0.041 0.000 2.496 464 Y HA 0.598 5.149 4.550 0.001 0.000 0.331 464 Y C -0.039 175.805 175.900 -0.094 0.000 1.140 464 Y CA -1.063 57.005 58.100 -0.054 0.000 1.166 464 Y CB 1.403 39.829 38.460 -0.057 0.000 1.249 464 Y HN -0.115 nan 8.280 nan 0.000 0.479 465 L N 5.342 126.604 121.223 0.065 0.000 2.387 465 L HA 0.483 4.823 4.340 0.001 0.000 0.259 465 L C -2.796 174.039 176.870 -0.059 0.000 1.050 465 L CA -2.054 52.766 54.840 -0.034 0.000 0.922 465 L CB 0.910 42.919 42.059 -0.083 0.000 1.280 465 L HN 0.381 nan 8.230 nan 0.000 0.449 466 P HA 0.235 nan 4.420 nan 0.000 0.275 466 P C 0.167 177.363 177.300 -0.173 0.000 1.227 466 P CA 0.023 63.038 63.100 -0.140 0.000 0.781 466 P CB 1.605 33.219 31.700 -0.143 0.000 0.906 467 I N -0.320 120.122 120.570 -0.213 0.000 3.570 467 I HA 0.149 4.319 4.170 0.001 0.000 0.270 467 I C 0.869 176.818 176.117 -0.279 0.000 1.162 467 I CA 0.649 61.835 61.300 -0.190 0.000 1.413 467 I CB 0.249 38.181 38.000 -0.114 0.000 1.437 467 I HN 0.289 nan 8.210 nan 0.000 0.457 468 S N -1.402 114.092 115.700 -0.343 0.000 2.596 468 S HA 0.537 5.008 4.470 0.001 0.000 0.270 468 S C -1.792 172.497 174.600 -0.518 0.000 1.155 468 S CA -0.463 57.488 58.200 -0.416 0.000 0.827 468 S CB 0.907 63.987 63.200 -0.201 0.000 1.130 468 S HN 0.036 nan 8.310 nan 0.000 0.467 469 Y N 2.787 123.043 120.300 -0.075 0.000 2.327 469 Y HA 0.551 5.102 4.550 0.001 0.000 0.336 469 Y C 0.622 176.475 175.900 -0.079 0.000 1.035 469 Y CA -0.905 57.145 58.100 -0.082 0.000 1.165 469 Y CB 0.404 38.820 38.460 -0.074 0.000 1.181 469 Y HN 0.539 nan 8.280 nan 0.000 0.494 470 I N -0.827 119.774 120.570 0.052 0.000 2.750 470 I HA 0.839 5.009 4.170 0.001 0.000 0.308 470 I C -0.401 175.693 176.117 -0.037 0.000 1.016 470 I CA -0.794 60.495 61.300 -0.019 0.000 1.098 470 I CB 2.215 40.188 38.000 -0.045 0.000 1.279 470 I HN 0.374 nan 8.210 nan 0.000 0.454 471 S N 3.421 119.068 115.700 -0.088 0.000 2.747 471 S HA 0.587 5.058 4.470 0.001 0.000 0.300 471 S C -0.333 174.173 174.600 -0.156 0.000 1.121 471 S CA -0.770 57.352 58.200 -0.130 0.000 0.995 471 S CB 1.430 64.536 63.200 -0.156 0.000 1.113 471 S HN 0.661 nan 8.310 nan 0.000 0.547 472 M N 2.093 121.576 119.600 -0.194 0.000 2.217 472 M HA 0.359 4.839 4.480 0.001 0.000 0.354 472 M C -0.641 175.516 176.300 -0.238 0.000 1.225 472 M CA 0.153 55.334 55.300 -0.199 0.000 1.137 472 M CB -0.104 32.370 32.600 -0.211 0.000 1.576 472 M HN 0.668 nan 8.290 nan 0.000 0.461 473 M N 3.347 122.783 119.600 -0.273 0.000 2.578 473 M HA 0.858 5.338 4.480 0.001 0.000 0.321 473 M C -1.223 174.943 176.300 -0.224 0.000 1.182 473 M CA -0.985 54.141 55.300 -0.290 0.000 0.965 473 M CB 1.556 33.781 32.600 -0.624 0.000 1.694 473 M HN 0.303 nan 8.290 nan 0.000 0.461 474 V N 1.720 121.589 119.914 -0.075 0.000 2.760 474 V HA 0.705 4.825 4.120 0.001 0.000 0.309 474 V C -0.954 175.137 176.094 -0.004 0.000 1.077 474 V CA -0.723 61.512 62.300 -0.109 0.000 0.910 474 V CB 2.238 33.961 31.823 -0.167 0.000 1.008 474 V HN 0.770 nan 8.190 nan 0.000 0.424 475 V N 3.595 123.453 119.914 -0.093 0.000 2.577 475 V HA 0.875 4.995 4.120 0.001 0.000 0.303 475 V C -0.250 175.639 176.094 -0.342 0.000 1.042 475 V CA -0.170 61.953 62.300 -0.294 0.000 0.872 475 V CB 2.099 33.633 31.823 -0.483 0.000 0.998 475 V HN 1.108 nan 8.190 nan 0.000 0.423 476 S N 3.777 119.377 115.700 -0.165 0.000 2.596 476 S HA 0.625 5.096 4.470 0.001 0.000 0.270 476 S C -1.165 173.613 174.600 0.296 0.000 1.155 476 S CA -1.160 57.113 58.200 0.121 0.000 0.827 476 S CB 1.869 65.157 63.200 0.148 0.000 1.130 476 S HN 0.504 nan 8.310 nan 0.000 0.467 477 K N 1.340 121.906 120.400 0.278 0.000 2.350 477 K HA 0.276 4.597 4.320 0.001 0.000 0.279 477 K C -1.843 174.845 176.600 0.146 0.000 1.027 477 K CA -2.016 54.377 56.287 0.177 0.000 0.969 477 K CB 0.523 33.065 32.500 0.069 0.000 0.954 477 K HN 0.355 nan 8.250 nan 0.000 0.474 478 P HA -0.222 nan 4.420 nan 0.000 0.216 478 P C 0.783 178.090 177.300 0.011 0.000 1.150 478 P CA 1.190 64.322 63.100 0.053 0.000 0.843 478 P CB 0.220 31.943 31.700 0.038 0.000 0.787 479 E N -0.467 119.746 120.200 0.022 0.000 2.284 479 E HA -0.177 4.173 4.350 0.001 0.000 0.200 479 E C 1.489 178.098 176.600 0.014 0.000 1.008 479 E CA 0.696 57.102 56.400 0.009 0.000 0.829 479 E CB -0.530 29.174 29.700 0.007 0.000 0.744 479 E HN 0.208 nan 8.360 nan 0.000 0.491 480 L N -0.582 120.660 121.223 0.033 0.000 2.558 480 L HA 0.166 4.506 4.340 0.001 0.000 0.225 480 L C 1.258 178.143 176.870 0.026 0.000 1.128 480 L CA 0.306 55.170 54.840 0.041 0.000 0.868 480 L CB -0.632 41.469 42.059 0.070 0.000 1.006 480 L HN 0.327 nan 8.230 nan 0.000 0.454 481 G N 0.930 109.726 108.800 -0.007 0.000 2.681 481 G HA2 -0.294 3.666 3.960 0.001 0.000 0.220 481 G HA3 -0.294 3.666 3.960 0.001 0.000 0.220 481 G C -0.105 174.767 174.900 -0.047 0.000 1.353 481 G CA -0.290 44.785 45.100 -0.042 0.000 0.872 481 G HN 0.387 nan 8.290 nan 0.000 0.557 482 N N 0.189 118.858 118.700 -0.052 0.000 2.301 482 N HA 0.067 4.808 4.740 0.001 0.000 0.267 482 N C 0.156 175.666 175.510 -0.000 0.000 1.304 482 N CA 0.097 53.135 53.050 -0.020 0.000 0.851 482 N CB -0.091 38.383 38.487 -0.021 0.000 1.070 482 N HN 0.438 nan 8.380 nan 0.000 0.483 483 I N 6.016 126.590 120.570 0.006 0.000 2.307 483 I HA 0.321 4.492 4.170 0.001 0.000 0.289 483 I C -2.006 173.977 176.117 -0.223 0.000 1.021 483 I CA -2.338 58.937 61.300 -0.042 0.000 1.224 483 I CB 0.596 38.607 38.000 0.018 0.000 1.376 483 I HN 0.397 nan 8.210 nan 0.000 0.470 484 P HA 0.333 nan 4.420 nan 0.000 0.278 484 P C -1.300 175.868 177.300 -0.220 0.000 1.266 484 P CA -0.269 62.697 63.100 -0.222 0.000 0.807 484 P CB 0.624 32.288 31.700 -0.059 0.000 1.094 485 Y N -0.689 119.691 120.300 0.133 0.000 2.361 485 Y HA 0.565 5.115 4.550 0.001 0.000 0.332 485 Y C 0.929 176.900 175.900 0.118 0.000 1.101 485 Y CA -1.149 57.055 58.100 0.173 0.000 1.137 485 Y CB 1.196 39.721 38.460 0.110 0.000 1.207 485 Y HN 0.355 nan 8.280 nan 0.000 0.463 486 A N 3.586 126.570 122.820 0.274 0.000 2.316 486 A HA 0.401 4.722 4.320 0.001 0.000 0.284 486 A C -1.752 175.948 177.584 0.193 0.000 1.115 486 A CA -1.479 50.654 52.037 0.161 0.000 0.812 486 A CB 0.287 19.345 19.000 0.096 0.000 1.064 486 A HN 0.656 nan 8.150 nan 0.000 0.489 487 P HA -0.068 nan 4.420 nan 0.000 0.216 487 P C -0.017 177.473 177.300 0.317 0.000 1.150 487 P CA 1.067 64.300 63.100 0.220 0.000 0.837 487 P CB -0.011 31.779 31.700 0.150 0.000 0.786 488 I N -0.452 120.277 120.570 0.265 0.000 2.312 488 I HA 0.170 4.341 4.170 0.001 0.000 0.291 488 I C 1.478 177.718 176.117 0.206 0.000 1.031 488 I CA -0.624 60.803 61.300 0.211 0.000 1.293 488 I CB 1.401 39.491 38.000 0.149 0.000 1.403 488 I HN -0.107 nan 8.210 nan 0.000 0.484 489 A N 4.465 127.418 122.820 0.221 0.000 2.032 489 A HA -0.186 4.134 4.320 0.001 0.000 0.221 489 A C 2.043 179.754 177.584 0.213 0.000 1.165 489 A CA 2.350 54.511 52.037 0.207 0.000 0.645 489 A CB -0.810 18.303 19.000 0.188 0.000 0.807 489 A HN 0.808 nan 8.150 nan 0.000 0.453 490 T N -1.811 112.867 114.554 0.207 0.000 3.100 490 T HA 0.160 4.511 4.350 0.001 0.000 0.253 490 T C 0.553 175.350 174.700 0.161 0.000 1.118 490 T CA 0.210 62.425 62.100 0.192 0.000 1.058 490 T CB -0.006 68.956 68.868 0.156 0.000 0.953 490 T HN 0.592 nan 8.240 nan 0.000 0.515 491 E N 0.714 120.989 120.200 0.124 0.000 2.314 491 E HA 0.598 4.949 4.350 0.001 0.000 0.262 491 E C -0.759 175.789 176.600 -0.086 0.000 1.093 491 E CA -0.663 55.765 56.400 0.047 0.000 0.908 491 E CB 1.326 31.052 29.700 0.043 0.000 1.091 491 E HN 0.311 nan 8.360 nan 0.000 0.425 492 I N 2.412 122.823 120.570 -0.264 0.000 2.468 492 I HA 0.187 4.358 4.170 0.001 0.000 0.285 492 I C -2.201 173.499 176.117 -0.694 0.000 1.039 492 I CA -2.070 58.765 61.300 -0.775 0.000 1.074 492 I CB 2.106 39.438 38.000 -1.112 0.000 1.228 492 I HN 0.226 nan 8.210 nan 0.000 0.436 493 P HA 0.163 nan 4.420 nan 0.000 0.218 493 P C 0.744 177.912 177.300 -0.219 0.000 1.793 493 P CA -0.082 62.862 63.100 -0.259 0.000 0.941 493 P CB -0.369 31.248 31.700 -0.138 0.000 1.919 494 F N 1.797 121.685 119.950 -0.103 0.000 2.154 494 F HA -0.218 4.310 4.527 0.001 0.000 0.301 494 F C 2.374 178.300 175.800 0.210 0.000 1.087 494 F CA 1.243 59.209 58.000 -0.058 0.000 1.274 494 F CB -0.541 38.258 39.000 -0.335 0.000 1.009 494 F HN 0.181 nan 8.300 nan 0.000 0.485 495 E N 0.746 121.241 120.200 0.491 0.000 2.472 495 E HA -0.205 4.145 4.350 0.001 0.000 0.200 495 E C 1.260 177.960 176.600 0.166 0.000 1.046 495 E CA 0.923 57.529 56.400 0.342 0.000 0.871 495 E CB -0.474 29.300 29.700 0.123 0.000 0.806 495 E HN 0.533 nan 8.360 nan 0.000 0.533 496 Q N 0.158 120.036 119.800 0.130 0.000 2.247 496 Q HA 0.331 4.671 4.340 0.001 0.000 0.211 496 Q C 0.170 176.207 176.000 0.061 0.000 0.861 496 Q CA -0.276 55.569 55.803 0.071 0.000 0.949 496 Q CB 0.709 29.470 28.738 0.038 0.000 1.115 496 Q HN 0.251 nan 8.270 nan 0.000 0.507 497 I N 1.780 122.404 120.570 0.090 0.000 2.556 497 I HA 0.005 4.175 4.170 0.001 0.000 0.284 497 I C -0.083 176.076 176.117 0.071 0.000 1.114 497 I CA 0.475 61.820 61.300 0.075 0.000 1.418 497 I CB 0.674 38.735 38.000 0.100 0.000 1.394 497 I HN -0.162 nan 8.210 nan 0.000 0.552 498 K N 7.559 127.987 120.400 0.045 0.000 2.478 498 K HA 0.384 4.704 4.320 0.001 0.000 0.236 498 K C -2.426 174.190 176.600 0.026 0.000 1.021 498 K CA -1.532 54.776 56.287 0.035 0.000 1.010 498 K CB 0.899 33.413 32.500 0.023 0.000 1.331 498 K HN 0.244 nan 8.250 nan 0.000 0.470 499 P HA 0.005 nan 4.420 nan 0.000 0.270 499 P C -0.041 177.265 177.300 0.011 0.000 1.223 499 P CA -0.513 62.601 63.100 0.022 0.000 0.785 499 P CB 0.643 32.359 31.700 0.026 0.000 0.923 500 V N 0.000 119.917 119.914 0.005 0.000 2.409 500 V HA 0.000 4.121 4.120 0.001 0.000 0.244 500 V CA 0.000 62.299 62.300 -0.002 0.000 1.235 500 V CB 0.000 31.818 31.823 -0.009 0.000 1.184 500 V HN 0.000 nan 8.190 nan 0.000 0.556