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 2a0f_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE DATA SEQUENCE ASTRTRLSFE TSMHRLGASV VGFSDSANTS LGKKGETLAD TISVISTYVD DATA SEQUENCE AIVMRHPQEG AARLATEFSG NVPVLNAGDG SNQHPTQTLL DLFTIQETQG DATA SEQUENCE RLDNLHVAMV GDLKYGRTVH SLTQALAKFD GNRFYFIAPD ALAMPQYILD DATA SEQUENCE MLDEKGIAWS LHSSIEEVMA EVDILYMTRV QKERLAPSEY ANVKAQFVLR DATA SEQUENCE ASDLHNAKAN MKVLHPLPRV DEIATDVDKT PHAWYFQQAG NGIFARQALL DATA SEQUENCE ALVLNRDLVL 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.577 177.584 -0.012 0.000 1.274 1 A CA 0.000 52.027 52.037 -0.016 0.000 0.836 1 A CB 0.000 19.007 19.000 0.012 0.000 0.831 2 N N 2.350 121.055 118.700 0.009 0.000 2.405 2 N HA 0.835 5.575 4.740 -0.000 0.000 0.285 2 N C -1.528 174.032 175.510 0.084 0.000 1.262 2 N CA -1.521 51.545 53.050 0.026 0.000 0.773 2 N CB 1.586 40.065 38.487 -0.012 0.000 1.490 2 N HN 0.141 nan 8.380 nan 0.000 0.486 3 P HA -0.088 nan 4.420 nan 0.000 0.216 3 P C 0.250 177.599 177.300 0.082 0.000 1.153 3 P CA 0.879 64.016 63.100 0.062 0.000 0.844 3 P CB 0.544 32.267 31.700 0.038 0.000 0.787 4 L N 0.033 121.311 121.223 0.091 0.000 2.449 4 L HA 0.348 4.688 4.340 -0.000 0.000 0.255 4 L C -1.203 175.779 176.870 0.186 0.000 1.167 4 L CA -0.634 54.269 54.840 0.104 0.000 1.090 4 L CB -0.611 41.496 42.059 0.079 0.000 1.385 4 L HN -0.058 nan 8.230 nan 0.000 0.411 5 Y N 3.683 123.985 120.300 0.004 0.000 2.333 5 Y HA 0.140 4.690 4.550 0.000 0.000 0.319 5 Y C -0.024 175.865 175.900 -0.018 0.000 1.200 5 Y CA -0.727 57.373 58.100 -0.001 0.000 1.084 5 Y CB 0.861 39.321 38.460 0.000 0.000 1.268 5 Y HN 0.484 nan 8.280 nan 0.000 0.422 6 Q N 2.101 121.610 119.800 -0.485 0.000 2.424 6 Q HA -0.186 4.154 4.340 -0.000 0.000 0.234 6 Q C -0.812 175.007 176.000 -0.302 0.000 0.748 6 Q CA 1.104 56.612 55.803 -0.491 0.000 1.286 6 Q CB -0.866 27.477 28.738 -0.659 0.000 1.494 6 Q HN 0.655 nan 8.270 nan 0.000 0.683 7 K N 1.665 121.968 120.400 -0.160 0.000 2.379 7 K HA 0.169 4.489 4.320 -0.000 0.000 0.284 7 K C 0.146 176.721 176.600 -0.041 0.000 1.044 7 K CA -0.283 55.951 56.287 -0.089 0.000 0.974 7 K CB 0.336 32.836 32.500 -0.001 0.000 0.962 7 K HN 0.080 nan 8.250 nan 0.000 0.474 8 H N 3.089 122.149 119.070 -0.016 0.000 3.091 8 H HA 0.015 4.571 4.556 -0.000 0.000 0.289 8 H C 0.284 175.616 175.328 0.006 0.000 0.995 8 H CA -0.045 55.998 56.048 -0.009 0.000 1.461 8 H CB 0.172 29.928 29.762 -0.011 0.000 1.510 8 H HN 0.246 nan 8.280 nan 0.000 0.546 9 I N 7.229 127.893 120.570 0.157 0.000 2.347 9 I HA 0.006 4.176 4.170 -0.000 0.000 0.294 9 I C 1.226 177.379 176.117 0.059 0.000 1.090 9 I CA 0.444 61.803 61.300 0.098 0.000 1.314 9 I CB -0.575 37.480 38.000 0.092 0.000 1.423 9 I HN 0.583 nan 8.210 nan 0.000 0.503 10 I N 2.841 123.444 120.570 0.054 0.000 3.861 10 I HA 0.119 4.289 4.170 -0.000 0.000 0.267 10 I C 1.028 177.170 176.117 0.041 0.000 0.933 10 I CA 0.160 61.473 61.300 0.022 0.000 2.302 10 I CB 0.144 38.152 38.000 0.014 0.000 1.574 10 I HN 0.481 nan 8.210 nan 0.000 0.472 11 S N -0.155 115.578 115.700 0.055 0.000 2.713 11 S HA 0.601 5.071 4.470 -0.000 0.000 0.296 11 S C 0.342 174.992 174.600 0.083 0.000 1.114 11 S CA -0.485 57.760 58.200 0.074 0.000 0.997 11 S CB 1.190 64.429 63.200 0.065 0.000 1.249 11 S HN 0.275 nan 8.310 nan 0.000 0.534 12 I N 0.685 121.306 120.570 0.086 0.000 4.655 12 I HA 0.245 4.415 4.170 -0.000 0.000 0.333 12 I C 0.035 176.192 176.117 0.067 0.000 1.312 12 I CA -0.034 61.316 61.300 0.083 0.000 1.270 12 I CB 0.161 38.220 38.000 0.099 0.000 1.318 12 I HN 0.419 nan 8.210 nan 0.000 0.456 13 N N 2.615 121.350 118.700 0.058 0.000 3.188 13 N HA 0.091 4.831 4.740 -0.000 0.000 0.279 13 N C -0.521 175.007 175.510 0.031 0.000 1.213 13 N CA 0.282 53.356 53.050 0.041 0.000 1.138 13 N CB -0.271 38.233 38.487 0.029 0.000 1.417 13 N HN 0.369 nan 8.380 nan 0.000 0.526 14 D N -0.520 119.900 120.400 0.033 0.000 2.649 14 D HA 0.028 4.668 4.640 -0.000 0.000 0.507 14 D C -0.715 175.601 176.300 0.027 0.000 1.091 14 D CA -0.303 53.712 54.000 0.026 0.000 1.076 14 D CB -0.130 40.687 40.800 0.028 0.000 1.647 14 D HN 0.032 nan 8.370 nan 0.000 0.356 15 L N 1.408 122.651 121.223 0.033 0.000 2.313 15 L HA 0.783 5.123 4.340 -0.000 0.000 0.268 15 L C 0.632 177.516 176.870 0.024 0.000 1.010 15 L CA -1.003 53.856 54.840 0.032 0.000 0.814 15 L CB 1.238 43.323 42.059 0.043 0.000 1.304 15 L HN 0.227 nan 8.230 nan 0.000 0.441 16 S N -0.290 115.420 115.700 0.016 0.000 2.608 16 S HA 0.463 4.933 4.470 -0.000 0.000 0.291 16 S C 1.069 175.665 174.600 -0.006 0.000 1.146 16 S CA -0.692 57.509 58.200 0.001 0.000 1.043 16 S CB 1.845 65.041 63.200 -0.006 0.000 1.037 16 S HN 0.676 nan 8.310 nan 0.000 0.520 17 R N 2.018 122.497 120.500 -0.037 0.000 2.191 17 R HA -0.302 4.038 4.340 -0.000 0.000 0.248 17 R C 1.319 177.592 176.300 -0.044 0.000 1.127 17 R CA 2.435 58.491 56.100 -0.074 0.000 0.943 17 R CB -1.887 28.309 30.300 -0.173 0.000 0.891 17 R HN 0.822 nan 8.270 nan 0.000 0.439 18 D N 1.094 121.469 120.400 -0.041 0.000 2.263 18 D HA -0.276 4.364 4.640 -0.000 0.000 0.193 18 D C 1.112 177.414 176.300 0.004 0.000 1.013 18 D CA 1.969 55.957 54.000 -0.020 0.000 0.892 18 D CB -0.549 40.242 40.800 -0.014 0.000 0.909 18 D HN 0.503 nan 8.370 nan 0.000 0.449 19 D N 1.052 121.461 120.400 0.015 0.000 2.077 19 D HA -0.107 4.533 4.640 -0.000 0.000 0.193 19 D C 2.497 178.822 176.300 0.042 0.000 0.989 19 D CA 0.802 54.821 54.000 0.033 0.000 0.831 19 D CB -0.329 40.495 40.800 0.040 0.000 0.979 19 D HN 0.249 nan 8.370 nan 0.000 0.449 20 L N 2.527 123.781 121.223 0.051 0.000 1.944 20 L HA -0.246 4.094 4.340 -0.000 0.000 0.218 20 L C 2.165 179.074 176.870 0.065 0.000 1.075 20 L CA 1.779 56.659 54.840 0.067 0.000 0.767 20 L CB -1.606 40.508 42.059 0.091 0.000 0.890 20 L HN 0.122 nan 8.230 nan 0.000 0.434 21 N N 0.717 119.457 118.700 0.067 0.000 2.144 21 N HA -0.302 4.438 4.740 -0.000 0.000 0.195 21 N C 1.940 177.482 175.510 0.054 0.000 1.006 21 N CA 2.144 55.235 53.050 0.068 0.000 0.880 21 N CB -0.807 37.706 38.487 0.044 0.000 1.018 21 N HN 0.372 nan 8.380 nan 0.000 0.443 22 L N 1.761 123.007 121.223 0.040 0.000 1.944 22 L HA -0.226 4.114 4.340 -0.000 0.000 0.218 22 L C 2.709 179.600 176.870 0.034 0.000 1.075 22 L CA 2.206 57.066 54.840 0.032 0.000 0.767 22 L CB -0.746 41.331 42.059 0.030 0.000 0.890 22 L HN 0.197 nan 8.230 nan 0.000 0.434 23 V N -2.393 117.541 119.914 0.034 0.000 2.515 23 V HA -0.215 3.905 4.120 -0.000 0.000 0.250 23 V C 2.506 178.605 176.094 0.009 0.000 1.058 23 V CA 1.681 63.992 62.300 0.019 0.000 1.064 23 V CB -1.189 30.645 31.823 0.018 0.000 0.675 23 V HN 0.525 nan 8.190 nan 0.000 0.461 24 L N 0.951 122.198 121.223 0.040 0.000 2.043 24 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 24 L C 2.984 179.924 176.870 0.117 0.000 1.075 24 L CA 1.966 56.855 54.840 0.080 0.000 0.752 24 L CB -0.943 41.192 42.059 0.126 0.000 0.891 24 L HN 0.445 nan 8.230 nan 0.000 0.432 25 A N -0.727 122.149 122.820 0.092 0.000 1.968 25 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 25 A C 2.287 179.918 177.584 0.079 0.000 1.169 25 A CA 1.905 54.000 52.037 0.096 0.000 0.638 25 A CB -0.717 18.322 19.000 0.064 0.000 0.812 25 A HN 0.374 nan 8.150 nan 0.000 0.446 26 T N 0.098 114.677 114.554 0.042 0.000 2.962 26 T HA 0.073 4.423 4.350 -0.000 0.000 0.270 26 T C 1.967 176.676 174.700 0.014 0.000 1.088 26 T CA 1.181 63.295 62.100 0.023 0.000 1.127 26 T CB -0.191 68.679 68.868 0.004 0.000 0.883 26 T HN 0.563 nan 8.240 nan 0.000 0.493 27 A N 0.997 123.806 122.820 -0.018 0.000 1.975 27 A HA 0.476 4.796 4.320 -0.000 0.000 0.215 27 A C 2.559 180.268 177.584 0.209 0.000 1.170 27 A CA 1.095 53.047 52.037 -0.142 0.000 0.656 27 A CB -0.716 17.836 19.000 -0.746 0.000 0.821 27 A HN 0.456 nan 8.150 nan 0.000 0.449 28 A N 1.113 124.163 122.820 0.383 0.000 2.015 28 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 28 A C 2.014 179.710 177.584 0.187 0.000 1.163 28 A CA 1.711 53.965 52.037 0.362 0.000 0.646 28 A CB -0.423 18.704 19.000 0.212 0.000 0.806 28 A HN 0.678 nan 8.150 nan 0.000 0.448 29 K N -0.558 119.921 120.400 0.133 0.000 2.400 29 K HA 0.242 4.562 4.320 -0.000 0.000 0.194 29 K C 0.594 177.243 176.600 0.081 0.000 1.033 29 K CA 0.430 56.767 56.287 0.083 0.000 1.021 29 K CB -0.085 32.449 32.500 0.057 0.000 0.808 29 K HN 0.394 nan 8.250 nan 0.000 0.505 30 L N 1.141 122.424 121.223 0.100 0.000 2.928 30 L HA 0.276 4.616 4.340 -0.000 0.000 0.246 30 L C 1.183 178.167 176.870 0.188 0.000 1.239 30 L CA -0.346 54.555 54.840 0.101 0.000 1.035 30 L CB 0.382 42.473 42.059 0.054 0.000 1.360 30 L HN 0.012 nan 8.230 nan 0.000 0.529 31 K N 1.821 122.329 120.400 0.180 0.000 2.365 31 K HA 0.110 4.430 4.320 -0.000 0.000 0.199 31 K C 0.502 177.191 176.600 0.149 0.000 1.045 31 K CA 0.731 57.105 56.287 0.144 0.000 0.962 31 K CB 0.262 32.769 32.500 0.011 0.000 0.759 31 K HN 0.283 nan 8.250 nan 0.000 0.469 32 A N 0.849 123.749 122.820 0.132 0.000 1.922 32 A HA 0.261 4.581 4.320 -0.000 0.000 0.272 32 A C -1.155 176.475 177.584 0.076 0.000 1.356 32 A CA -0.703 51.402 52.037 0.112 0.000 1.041 32 A CB -0.449 18.595 19.000 0.075 0.000 1.197 32 A HN 0.153 nan 8.150 nan 0.000 0.533 33 N N 2.164 120.909 118.700 0.076 0.000 3.354 33 N HA 0.219 4.959 4.740 -0.000 0.000 0.196 33 N C -3.480 172.058 175.510 0.046 0.000 1.486 33 N CA -0.327 52.754 53.050 0.052 0.000 0.768 33 N CB 1.476 39.991 38.487 0.047 0.000 1.625 33 N HN 0.293 nan 8.380 nan 0.000 0.636 34 P HA 0.333 nan 4.420 nan 0.000 0.287 34 P C -0.856 176.457 177.300 0.021 0.000 1.281 34 P CA -0.075 63.043 63.100 0.031 0.000 0.781 34 P CB 0.999 32.716 31.700 0.030 0.000 0.903 35 Q N 3.668 123.479 119.800 0.017 0.000 2.508 35 Q HA 0.198 4.538 4.340 -0.000 0.000 0.247 35 Q C -1.820 174.183 176.000 0.006 0.000 1.047 35 Q CA -1.562 54.248 55.803 0.011 0.000 0.783 35 Q CB 1.406 30.151 28.738 0.011 0.000 1.172 35 Q HN 0.375 nan 8.270 nan 0.000 0.515 36 P HA -0.156 nan 4.420 nan 0.000 0.210 36 P C -0.217 177.070 177.300 -0.021 0.000 1.191 36 P CA 0.735 63.830 63.100 -0.008 0.000 0.917 36 P CB 0.276 31.970 31.700 -0.010 0.000 0.778 37 E N -0.369 119.818 120.200 -0.021 0.000 2.413 37 E HA -0.042 4.308 4.350 -0.000 0.000 0.277 37 E C 0.449 177.036 176.600 -0.020 0.000 1.114 37 E CA 0.141 56.523 56.400 -0.029 0.000 1.111 37 E CB -0.831 28.860 29.700 -0.015 0.000 1.066 37 E HN 0.019 nan 8.360 nan 0.000 0.454 38 L N 1.079 122.284 121.223 -0.030 0.000 3.189 38 L HA 0.152 4.492 4.340 -0.000 0.000 0.167 38 L C -0.093 176.777 176.870 0.001 0.000 1.284 38 L CA 0.346 55.182 54.840 -0.005 0.000 0.916 38 L CB -0.257 41.805 42.059 0.006 0.000 1.792 38 L HN 0.271 nan 8.230 nan 0.000 0.559 39 L N 1.695 122.920 121.223 0.004 0.000 2.912 39 L HA 0.216 4.556 4.340 -0.000 0.000 0.240 39 L C 1.078 177.939 176.870 -0.015 0.000 1.262 39 L CA 0.125 54.984 54.840 0.033 0.000 1.058 39 L CB -0.478 41.617 42.059 0.060 0.000 1.383 39 L HN 0.257 nan 8.230 nan 0.000 0.512 40 K N -1.946 118.375 120.400 -0.133 0.000 3.120 40 K HA 0.011 4.331 4.320 -0.000 0.000 0.275 40 K C 0.355 176.761 176.600 -0.322 0.000 0.914 40 K CA 0.656 56.822 56.287 -0.203 0.000 1.125 40 K CB -0.349 32.009 32.500 -0.237 0.000 1.053 40 K HN 0.333 nan 8.250 nan 0.000 0.450 41 H N 1.187 120.283 119.070 0.043 0.000 2.286 41 H HA 0.111 4.667 4.556 -0.000 0.000 0.163 41 H C -0.351 175.007 175.328 0.050 0.000 1.015 41 H CA -0.279 55.795 56.048 0.044 0.000 1.107 41 H CB -0.104 29.683 29.762 0.041 0.000 1.050 41 H HN 0.109 nan 8.280 nan 0.000 0.360 42 K N 3.035 123.559 120.400 0.208 0.000 2.272 42 K HA 0.067 4.387 4.320 -0.000 0.000 0.259 42 K C -0.136 176.529 176.600 0.108 0.000 1.280 42 K CA 0.017 56.384 56.287 0.133 0.000 1.275 42 K CB -0.024 32.545 32.500 0.115 0.000 0.800 42 K HN -0.084 nan 8.250 nan 0.000 0.484 43 V N 4.729 124.706 119.914 0.106 0.000 2.686 43 V HA 0.131 4.251 4.120 -0.000 0.000 0.295 43 V C 0.397 176.541 176.094 0.084 0.000 1.055 43 V CA -0.292 62.066 62.300 0.096 0.000 1.050 43 V CB 0.642 32.526 31.823 0.102 0.000 0.984 43 V HN 0.468 nan 8.190 nan 0.000 0.482 44 I N 3.063 123.674 120.570 0.068 0.000 2.689 44 I HA 0.735 4.905 4.170 -0.000 0.000 0.299 44 I C 0.120 176.251 176.117 0.024 0.000 1.059 44 I CA -0.364 60.961 61.300 0.043 0.000 1.055 44 I CB 1.947 39.963 38.000 0.026 0.000 1.243 44 I HN 0.681 nan 8.210 nan 0.000 0.425 45 A N 2.932 125.754 122.820 0.003 0.000 2.331 45 A HA 0.692 5.012 4.320 -0.000 0.000 0.320 45 A C -0.410 177.102 177.584 -0.119 0.000 1.138 45 A CA -0.548 51.474 52.037 -0.026 0.000 0.790 45 A CB 1.227 20.242 19.000 0.025 0.000 1.206 45 A HN 0.596 nan 8.150 nan 0.000 0.470 46 S N 1.708 117.307 115.700 -0.168 0.000 2.411 46 S HA 0.304 4.774 4.470 -0.000 0.000 0.304 46 S C -0.238 174.105 174.600 -0.429 0.000 1.098 46 S CA -0.475 57.570 58.200 -0.259 0.000 1.068 46 S CB -1.032 62.027 63.200 -0.235 0.000 1.032 46 S HN 0.707 nan 8.310 nan 0.000 0.511 47 C N 6.951 125.948 119.300 -0.505 0.000 2.135 47 C HA 0.423 4.883 4.460 -0.000 0.000 0.345 47 C C -0.159 174.370 174.990 -0.769 0.000 1.067 47 C CA -1.019 57.374 59.018 -1.041 0.000 1.517 47 C CB -2.065 25.249 27.740 -0.711 0.000 1.923 47 C HN 0.809 nan 8.230 nan 0.000 0.466 48 F N 3.607 122.996 119.950 -0.935 0.000 2.334 48 F HA 0.441 4.968 4.527 0.000 0.000 0.365 48 F C 0.362 175.965 175.800 -0.328 0.000 1.124 48 F CA -1.637 56.111 58.000 -0.419 0.000 1.166 48 F CB 0.129 38.991 39.000 -0.230 0.000 1.355 48 F HN 0.537 nan 8.300 nan 0.000 0.532 49 F N 1.575 121.411 119.950 -0.190 0.000 2.789 49 F HA 0.196 4.723 4.527 -0.000 0.000 0.300 49 F C 1.121 176.703 175.800 -0.364 0.000 1.132 49 F CA 0.050 57.925 58.000 -0.207 0.000 1.404 49 F CB -0.357 38.411 39.000 -0.388 0.000 1.114 49 F HN 0.349 nan 8.300 nan 0.000 0.584 50 E N -0.136 119.767 120.200 -0.496 0.000 2.989 50 E HA 0.788 5.138 4.350 -0.000 0.000 0.182 50 E C -0.791 175.211 176.600 -0.996 0.000 0.730 50 E CA -1.031 55.019 56.400 -0.583 0.000 1.204 50 E CB 1.133 30.601 29.700 -0.387 0.000 1.863 50 E HN -0.134 nan 8.360 nan 0.000 0.366 51 A N 1.076 123.482 122.820 -0.689 0.000 2.611 51 A HA 0.483 4.803 4.320 -0.000 0.000 0.282 51 A C -1.207 176.441 177.584 0.107 0.000 1.114 51 A CA -0.318 51.543 52.037 -0.294 0.000 0.800 51 A CB 1.251 20.194 19.000 -0.095 0.000 1.325 51 A HN 0.182 nan 8.150 nan 0.000 0.411 52 S N 0.989 117.052 115.700 0.605 0.000 2.575 52 S HA 0.609 5.079 4.470 -0.000 0.000 0.278 52 S C 1.167 175.978 174.600 0.352 0.000 1.139 52 S CA 0.309 58.773 58.200 0.441 0.000 0.954 52 S CB 1.290 64.751 63.200 0.435 0.000 1.054 52 S HN 1.213 nan 8.310 nan 0.000 0.483 53 T N 3.781 118.442 114.554 0.177 0.000 2.735 53 T HA 0.036 4.386 4.350 -0.000 0.000 0.256 53 T C 1.713 176.429 174.700 0.028 0.000 1.042 53 T CA 0.528 62.681 62.100 0.088 0.000 1.147 53 T CB -0.383 68.531 68.868 0.077 0.000 0.865 53 T HN 0.599 nan 8.240 nan 0.000 0.421 54 R N 1.284 121.813 120.500 0.048 0.000 2.126 54 R HA -0.017 4.323 4.340 -0.000 0.000 0.224 54 R C 2.910 179.220 176.300 0.017 0.000 1.128 54 R CA 2.074 58.191 56.100 0.028 0.000 0.895 54 R CB -1.496 28.830 30.300 0.044 0.000 0.817 54 R HN 0.343 nan 8.270 nan 0.000 0.435 55 T N 1.124 115.722 114.554 0.074 0.000 2.736 55 T HA -0.305 4.045 4.350 -0.000 0.000 0.265 55 T C 1.702 176.457 174.700 0.092 0.000 1.031 55 T CA 1.937 64.132 62.100 0.159 0.000 1.155 55 T CB -0.312 68.725 68.868 0.282 0.000 0.849 55 T HN 0.274 nan 8.240 nan 0.000 0.471 56 R N 0.651 121.060 120.500 -0.151 0.000 2.060 56 R HA 0.035 4.375 4.340 -0.000 0.000 0.225 56 R C 2.524 178.702 176.300 -0.202 0.000 1.155 56 R CA 1.347 57.196 56.100 -0.419 0.000 0.930 56 R CB -0.697 29.094 30.300 -0.847 0.000 0.829 56 R HN 0.396 nan 8.270 nan 0.000 0.433 57 L N 1.316 122.452 121.223 -0.146 0.000 2.046 57 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 57 L C 2.842 179.672 176.870 -0.066 0.000 1.077 57 L CA 1.692 56.479 54.840 -0.087 0.000 0.747 57 L CB -0.548 41.480 42.059 -0.052 0.000 0.896 57 L HN 0.410 nan 8.230 nan 0.000 0.432 58 S N -0.186 115.478 115.700 -0.060 0.000 2.359 58 S HA -0.263 4.207 4.470 -0.000 0.000 0.223 58 S C 1.957 176.486 174.600 -0.119 0.000 1.039 58 S CA 1.284 59.425 58.200 -0.099 0.000 1.042 58 S CB -0.992 62.144 63.200 -0.108 0.000 0.915 58 S HN 0.297 nan 8.310 nan 0.000 0.439 59 F N 2.081 121.954 119.950 -0.128 0.000 2.014 59 F HA -0.020 4.507 4.527 0.000 0.000 0.295 59 F C 2.935 178.626 175.800 -0.182 0.000 1.145 59 F CA 1.923 59.844 58.000 -0.131 0.000 1.178 59 F CB -0.483 38.443 39.000 -0.123 0.000 0.972 59 F HN 0.269 nan 8.300 nan 0.000 0.476 60 E N -0.563 119.652 120.200 0.025 0.000 2.208 60 E HA -0.279 4.071 4.350 -0.000 0.000 0.202 60 E C 1.854 178.221 176.600 -0.388 0.000 1.014 60 E CA 1.967 58.236 56.400 -0.220 0.000 0.819 60 E CB -0.135 29.406 29.700 -0.266 0.000 0.735 60 E HN 0.384 nan 8.360 nan 0.000 0.469 61 T N -0.460 113.986 114.554 -0.181 0.000 2.737 61 T HA -0.079 4.271 4.350 -0.000 0.000 0.265 61 T C 2.013 176.691 174.700 -0.037 0.000 1.038 61 T CA 1.251 63.309 62.100 -0.070 0.000 1.144 61 T CB -0.177 68.676 68.868 -0.025 0.000 0.866 61 T HN 0.086 nan 8.240 nan 0.000 0.434 62 S N 1.213 116.864 115.700 -0.082 0.000 2.423 62 S HA 0.017 4.487 4.470 -0.000 0.000 0.231 62 S C 2.056 176.647 174.600 -0.015 0.000 1.014 62 S CA 0.890 59.046 58.200 -0.074 0.000 0.965 62 S CB -0.367 62.733 63.200 -0.167 0.000 0.785 62 S HN 0.439 nan 8.310 nan 0.000 0.495 63 M N 0.230 119.820 119.600 -0.018 0.000 2.117 63 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 63 M C 1.958 178.285 176.300 0.046 0.000 1.065 63 M CA 1.558 56.861 55.300 0.004 0.000 1.114 63 M CB -0.674 31.892 32.600 -0.058 0.000 1.361 63 M HN 0.408 nan 8.290 nan 0.000 0.408 64 H N -0.226 118.853 119.070 0.015 0.000 2.261 64 H HA -0.023 4.533 4.556 -0.000 0.000 0.301 64 H C 2.407 177.733 175.328 -0.003 0.000 1.067 64 H CA 1.058 57.108 56.048 0.003 0.000 1.297 64 H CB 0.025 29.784 29.762 -0.005 0.000 1.377 64 H HN 0.249 nan 8.280 nan 0.000 0.492 65 R N 0.757 121.339 120.500 0.137 0.000 2.113 65 R HA -0.142 4.198 4.340 -0.000 0.000 0.244 65 R C 1.420 177.744 176.300 0.040 0.000 1.142 65 R CA 1.020 57.156 56.100 0.060 0.000 0.953 65 R CB -0.436 29.880 30.300 0.027 0.000 0.860 65 R HN 0.297 nan 8.270 nan 0.000 0.438 66 L N 1.543 122.787 121.223 0.035 0.000 2.994 66 L HA 0.078 4.418 4.340 -0.000 0.000 0.256 66 L C 0.321 177.209 176.870 0.030 0.000 1.315 66 L CA -0.025 54.832 54.840 0.027 0.000 1.143 66 L CB -0.975 41.099 42.059 0.026 0.000 1.530 66 L HN 0.414 nan 8.230 nan 0.000 0.422 67 G N 0.728 109.545 108.800 0.029 0.000 2.402 67 G HA2 0.012 3.972 3.960 -0.000 0.000 0.241 67 G HA3 0.012 3.972 3.960 -0.000 0.000 0.241 67 G C 0.092 175.004 174.900 0.021 0.000 0.871 67 G CA 0.190 45.299 45.100 0.014 0.000 1.232 67 G HN 0.834 nan 8.290 nan 0.000 0.369 68 A N 0.161 123.009 122.820 0.046 0.000 4.774 68 A HA 1.045 5.365 4.320 -0.000 0.000 0.225 68 A C 0.219 177.874 177.584 0.118 0.000 0.934 68 A CA 0.620 52.695 52.037 0.064 0.000 0.596 68 A CB -0.184 18.858 19.000 0.070 0.000 1.899 68 A HN 2.580 nan 8.150 nan 0.000 0.946 69 S N -1.933 113.860 115.700 0.156 0.000 2.752 69 S HA 0.828 5.298 4.470 -0.000 0.000 0.284 69 S C -1.415 173.301 174.600 0.193 0.000 1.189 69 S CA -0.083 58.263 58.200 0.245 0.000 0.835 69 S CB 1.244 64.520 63.200 0.128 0.000 1.192 69 S HN 2.043 nan 8.310 nan 0.000 0.506 70 V N 0.989 121.019 119.914 0.195 0.000 2.697 70 V HA 0.454 4.574 4.120 -0.000 0.000 0.300 70 V C 0.358 176.489 176.094 0.062 0.000 1.115 70 V CA -0.743 61.585 62.300 0.046 0.000 0.912 70 V CB 0.760 32.490 31.823 -0.155 0.000 1.024 70 V HN 0.859 nan 8.190 nan 0.000 0.431 71 V N 2.828 122.765 119.914 0.037 0.000 2.561 71 V HA 0.682 4.802 4.120 -0.000 0.000 0.206 71 V C 1.676 177.776 176.094 0.011 0.000 1.143 71 V CA 1.314 63.641 62.300 0.044 0.000 1.198 71 V CB -0.796 31.066 31.823 0.065 0.000 0.784 71 V HN 1.537 nan 8.190 nan 0.000 0.494 72 G N 0.988 109.789 108.800 0.002 0.000 2.633 72 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.263 72 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.263 72 G C -0.614 174.281 174.900 -0.008 0.000 1.310 72 G CA 0.539 45.578 45.100 -0.102 0.000 0.914 72 G HN 1.622 nan 8.290 nan 0.000 0.569 73 F N -3.747 116.147 119.950 -0.094 0.000 2.650 73 F HA 0.760 5.287 4.527 0.000 0.000 0.310 73 F C 0.616 176.374 175.800 -0.070 0.000 1.112 73 F CA -0.237 57.711 58.000 -0.086 0.000 0.986 73 F CB 0.989 39.920 39.000 -0.115 0.000 1.285 73 F HN 0.397 nan 8.300 nan 0.000 0.440 74 S N -0.251 115.543 115.700 0.157 0.000 2.453 74 S HA -0.022 4.448 4.470 -0.000 0.000 0.231 74 S C -0.105 174.628 174.600 0.221 0.000 1.005 74 S CA 1.256 59.565 58.200 0.182 0.000 0.949 74 S CB -0.315 62.981 63.200 0.160 0.000 0.774 74 S HN 0.781 nan 8.310 nan 0.000 0.510 75 D N -0.624 119.961 120.400 0.308 0.000 2.622 75 D HA 0.090 4.730 4.640 -0.000 0.000 0.255 75 D C -0.390 175.993 176.300 0.138 0.000 1.246 75 D CA -0.214 53.905 54.000 0.200 0.000 0.795 75 D CB 1.578 42.420 40.800 0.069 0.000 1.369 75 D HN 0.032 nan 8.370 nan 0.000 0.425 76 S N 0.666 116.373 115.700 0.012 0.000 3.009 76 S HA 0.208 4.678 4.470 -0.000 0.000 0.243 76 S C 1.215 175.715 174.600 -0.166 0.000 1.012 76 S CA 0.713 58.806 58.200 -0.178 0.000 1.113 76 S CB -0.427 62.757 63.200 -0.026 0.000 0.827 76 S HN 0.490 nan 8.310 nan 0.000 0.495 77 A N 2.957 125.699 122.820 -0.129 0.000 1.819 77 A HA 0.035 4.355 4.320 -0.000 0.000 0.215 77 A C 1.450 178.966 177.584 -0.113 0.000 1.226 77 A CA 0.858 52.843 52.037 -0.087 0.000 0.608 77 A CB -0.530 18.447 19.000 -0.038 0.000 0.877 77 A HN 0.698 nan 8.150 nan 0.000 0.452 78 N N 1.160 119.783 118.700 -0.129 0.000 3.322 78 N HA 0.168 4.908 4.740 -0.000 0.000 0.290 78 N C -0.772 174.632 175.510 -0.177 0.000 1.297 78 N CA 0.507 53.488 53.050 -0.116 0.000 1.167 78 N CB 0.336 38.781 38.487 -0.070 0.000 1.434 78 N HN 0.597 nan 8.380 nan 0.000 0.526 79 T N -3.339 111.086 114.554 -0.216 0.000 2.881 79 T HA 0.228 4.578 4.350 -0.000 0.000 0.290 79 T C 0.962 175.576 174.700 -0.143 0.000 1.000 79 T CA -0.600 61.349 62.100 -0.251 0.000 0.978 79 T CB 1.750 70.334 68.868 -0.474 0.000 0.997 79 T HN -0.082 nan 8.240 nan 0.000 0.443 80 S N 1.826 117.470 115.700 -0.094 0.000 2.571 80 S HA -0.054 4.416 4.470 -0.000 0.000 0.245 80 S C 1.693 176.267 174.600 -0.043 0.000 0.976 80 S CA 0.619 58.788 58.200 -0.050 0.000 0.954 80 S CB -0.725 62.462 63.200 -0.022 0.000 0.756 80 S HN 0.688 nan 8.310 nan 0.000 0.535 81 L N 0.281 121.468 121.223 -0.060 0.000 2.046 81 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 81 L C 1.875 178.730 176.870 -0.024 0.000 1.077 81 L CA 1.593 56.415 54.840 -0.030 0.000 0.747 81 L CB -0.499 41.550 42.059 -0.015 0.000 0.896 81 L HN 0.401 nan 8.230 nan 0.000 0.432 82 G N -1.586 107.191 108.800 -0.039 0.000 2.710 82 G HA2 0.023 3.983 3.960 -0.000 0.000 0.215 82 G HA3 0.023 3.983 3.960 -0.000 0.000 0.215 82 G C 1.118 176.001 174.900 -0.029 0.000 1.345 82 G CA -0.055 45.029 45.100 -0.027 0.000 0.812 82 G HN -0.032 nan 8.290 nan 0.000 0.606 83 K N 1.046 121.423 120.400 -0.038 0.000 2.005 83 K HA -0.187 4.133 4.320 -0.000 0.000 0.229 83 K C 2.342 178.927 176.600 -0.026 0.000 1.050 83 K CA 1.545 57.812 56.287 -0.033 0.000 0.994 83 K CB -0.660 31.815 32.500 -0.042 0.000 0.736 83 K HN 0.190 nan 8.250 nan 0.000 0.448 84 K N -0.415 119.968 120.400 -0.029 0.000 1.965 84 K HA -0.105 4.215 4.320 -0.000 0.000 0.220 84 K C 0.912 177.503 176.600 -0.015 0.000 1.046 84 K CA 1.524 57.799 56.287 -0.020 0.000 0.974 84 K CB -0.327 32.161 32.500 -0.019 0.000 0.738 84 K HN 0.497 nan 8.250 nan 0.000 0.444 85 G N 1.126 109.917 108.800 -0.016 0.000 2.400 85 G HA2 0.091 4.051 3.960 -0.000 0.000 0.199 85 G HA3 0.091 4.051 3.960 -0.000 0.000 0.199 85 G C -1.382 173.512 174.900 -0.010 0.000 1.383 85 G CA -0.718 44.375 45.100 -0.012 0.000 1.117 85 G HN 0.160 nan 8.290 nan 0.000 0.621 86 E N 0.117 120.310 120.200 -0.013 0.000 2.388 86 E HA 0.561 4.911 4.350 -0.000 0.000 0.281 86 E C -0.043 176.541 176.600 -0.027 0.000 1.046 86 E CA -0.709 55.682 56.400 -0.015 0.000 0.825 86 E CB 1.988 31.684 29.700 -0.006 0.000 1.243 86 E HN 0.751 nan 8.360 nan 0.000 0.438 87 T N -0.454 114.066 114.554 -0.057 0.000 2.913 87 T HA 0.206 4.556 4.350 -0.000 0.000 0.287 87 T C 1.069 175.700 174.700 -0.114 0.000 1.008 87 T CA -0.706 61.335 62.100 -0.098 0.000 1.067 87 T CB 0.932 69.704 68.868 -0.159 0.000 0.996 87 T HN 0.418 nan 8.240 nan 0.000 0.513 88 L N 1.670 122.828 121.223 -0.108 0.000 2.351 88 L HA 0.033 4.373 4.340 -0.000 0.000 0.220 88 L C 2.317 179.083 176.870 -0.174 0.000 1.127 88 L CA 2.074 56.869 54.840 -0.075 0.000 0.786 88 L CB -1.277 40.703 42.059 -0.131 0.000 0.914 88 L HN 0.949 nan 8.230 nan 0.000 0.443 89 A N -1.165 121.417 122.820 -0.397 0.000 1.862 89 A HA -0.063 4.257 4.320 -0.000 0.000 0.211 89 A C 1.890 179.237 177.584 -0.395 0.000 1.220 89 A CA 0.956 52.528 52.037 -0.774 0.000 0.616 89 A CB -0.674 17.126 19.000 -1.999 0.000 0.878 89 A HN 0.418 nan 8.150 nan 0.000 0.453 90 D N 0.547 120.781 120.400 -0.278 0.000 2.157 90 D HA -0.228 4.412 4.640 -0.000 0.000 0.191 90 D C 2.261 178.593 176.300 0.053 0.000 1.004 90 D CA 2.561 56.560 54.000 -0.002 0.000 0.854 90 D CB -1.050 39.744 40.800 -0.010 0.000 0.936 90 D HN 0.617 nan 8.370 nan 0.000 0.446 91 T N -0.440 114.128 114.554 0.024 0.000 2.684 91 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 91 T C 2.060 176.814 174.700 0.090 0.000 1.036 91 T CA 1.205 63.349 62.100 0.072 0.000 1.148 91 T CB -0.432 68.498 68.868 0.102 0.000 0.863 91 T HN 0.038 nan 8.240 nan 0.000 0.436 92 I N 3.318 123.943 120.570 0.092 0.000 2.127 92 I HA -0.189 3.981 4.170 -0.000 0.000 0.241 92 I C 3.109 179.294 176.117 0.113 0.000 1.075 92 I CA 1.778 63.145 61.300 0.112 0.000 1.334 92 I CB -2.072 36.011 38.000 0.139 0.000 1.040 92 I HN 0.567 nan 8.210 nan 0.000 0.405 93 S N 2.203 118.026 115.700 0.206 0.000 2.407 93 S HA -0.263 4.207 4.470 -0.000 0.000 0.244 93 S C 1.989 176.603 174.600 0.023 0.000 1.077 93 S CA 2.839 61.133 58.200 0.157 0.000 1.159 93 S CB -1.730 61.599 63.200 0.215 0.000 1.045 93 S HN 0.438 nan 8.310 nan 0.000 0.438 94 V N -0.551 119.363 119.914 -0.000 0.000 3.129 94 V HA 0.261 4.381 4.120 -0.000 0.000 0.259 94 V C 2.188 178.062 176.094 -0.368 0.000 1.116 94 V CA 1.053 63.281 62.300 -0.121 0.000 1.127 94 V CB -0.973 30.851 31.823 0.002 0.000 0.742 94 V HN 0.580 nan 8.190 nan 0.000 0.474 95 I N 2.282 122.744 120.570 -0.181 0.000 2.439 95 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 95 I C 2.924 178.930 176.117 -0.184 0.000 1.139 95 I CA 1.452 62.651 61.300 -0.169 0.000 1.438 95 I CB -0.389 37.628 38.000 0.029 0.000 1.085 95 I HN 0.545 nan 8.210 nan 0.000 0.427 96 S N 0.889 116.517 115.700 -0.121 0.000 2.378 96 S HA -0.295 4.175 4.470 -0.000 0.000 0.229 96 S C 2.000 176.533 174.600 -0.111 0.000 1.052 96 S CA 2.031 60.187 58.200 -0.073 0.000 1.084 96 S CB -1.659 61.514 63.200 -0.046 0.000 0.950 96 S HN 0.630 nan 8.310 nan 0.000 0.440 97 T N 1.409 115.832 114.554 -0.218 0.000 2.674 97 T HA -0.239 4.111 4.350 -0.000 0.000 0.198 97 T C 1.349 176.015 174.700 -0.056 0.000 1.562 97 T CA 1.435 63.426 62.100 -0.183 0.000 1.491 97 T CB -1.472 67.216 68.868 -0.300 0.000 0.915 97 T HN 0.398 nan 8.240 nan 0.000 0.365 98 Y N 2.472 122.798 120.300 0.043 0.000 1.667 98 Y HA -0.211 4.339 4.550 -0.000 0.000 0.166 98 Y C 2.064 177.991 175.900 0.046 0.000 0.978 98 Y CA 0.600 58.726 58.100 0.044 0.000 0.822 98 Y CB -2.172 36.316 38.460 0.047 0.000 0.708 98 Y HN 0.482 nan 8.280 nan 0.000 0.620 99 V N 1.065 121.115 119.914 0.226 0.000 2.302 99 V HA 0.115 4.235 4.120 -0.000 0.000 0.244 99 V C 0.454 176.593 176.094 0.076 0.000 1.160 99 V CA -0.201 62.176 62.300 0.129 0.000 1.127 99 V CB -0.464 31.426 31.823 0.113 0.000 1.253 99 V HN 0.453 nan 8.190 nan 0.000 0.496 100 D N 3.731 124.174 120.400 0.071 0.000 2.254 100 D HA -0.086 4.554 4.640 -0.000 0.000 0.201 100 D C 0.828 177.153 176.300 0.041 0.000 0.998 100 D CA 1.818 55.846 54.000 0.047 0.000 0.885 100 D CB -0.067 40.765 40.800 0.052 0.000 0.915 100 D HN 0.900 nan 8.370 nan 0.000 0.460 101 A N 0.144 122.992 122.820 0.048 0.000 2.414 101 A HA 0.685 5.005 4.320 -0.000 0.000 0.306 101 A C -0.752 176.846 177.584 0.023 0.000 1.054 101 A CA -0.886 51.174 52.037 0.038 0.000 0.724 101 A CB 1.521 20.547 19.000 0.044 0.000 1.267 101 A HN 0.257 nan 8.150 nan 0.000 0.418 102 I N -0.480 120.094 120.570 0.006 0.000 2.827 102 I HA 0.698 4.868 4.170 -0.000 0.000 0.298 102 I C -1.265 174.814 176.117 -0.063 0.000 1.235 102 I CA -1.000 60.286 61.300 -0.024 0.000 1.021 102 I CB 0.950 38.960 38.000 0.017 0.000 1.259 102 I HN 0.269 nan 8.210 nan 0.000 0.427 103 V N 5.050 124.882 119.914 -0.137 0.000 2.483 103 V HA 0.584 4.704 4.120 -0.000 0.000 0.295 103 V C 0.288 176.360 176.094 -0.038 0.000 1.035 103 V CA -0.568 61.616 62.300 -0.193 0.000 0.896 103 V CB 1.644 33.173 31.823 -0.490 0.000 0.986 103 V HN 0.848 nan 8.190 nan 0.000 0.447 104 M N 3.449 123.063 119.600 0.023 0.000 2.227 104 M HA 0.801 5.281 4.480 -0.000 0.000 0.335 104 M C -0.572 175.795 176.300 0.112 0.000 1.053 104 M CA -0.613 54.804 55.300 0.195 0.000 0.973 104 M CB 1.760 34.408 32.600 0.080 0.000 1.623 104 M HN 0.454 nan 8.290 nan 0.000 0.434 105 R N 2.190 122.867 120.500 0.295 0.000 2.415 105 R HA 0.395 4.735 4.340 -0.000 0.000 0.292 105 R C -1.545 174.801 176.300 0.077 0.000 1.295 105 R CA -0.129 56.085 56.100 0.190 0.000 1.137 105 R CB 0.491 30.987 30.300 0.326 0.000 1.135 105 R HN 0.787 nan 8.270 nan 0.000 0.560 106 H N 3.567 122.502 119.070 -0.225 0.000 2.472 106 H HA 0.272 4.828 4.556 -0.000 0.000 0.335 106 H C -1.845 173.410 175.328 -0.123 0.000 1.136 106 H CA -2.002 53.876 56.048 -0.285 0.000 1.264 106 H CB 2.304 31.820 29.762 -0.412 0.000 1.486 106 H HN 0.422 nan 8.280 nan 0.000 0.517 107 P HA 0.035 nan 4.420 nan 0.000 0.255 107 P C -0.762 176.562 177.300 0.039 0.000 1.301 107 P CA 0.273 63.376 63.100 0.005 0.000 0.817 107 P CB 0.666 32.355 31.700 -0.018 0.000 1.259 108 Q N -0.058 119.785 119.800 0.073 0.000 2.372 108 Q HA 0.317 4.657 4.340 -0.000 0.000 0.273 108 Q C -0.207 175.784 176.000 -0.015 0.000 1.078 108 Q CA -0.777 55.044 55.803 0.030 0.000 0.806 108 Q CB 2.001 30.750 28.738 0.019 0.000 1.332 108 Q HN 0.096 nan 8.270 nan 0.000 0.435 109 E N 0.181 120.375 120.200 -0.009 0.000 2.385 109 E HA 0.487 4.837 4.350 -0.000 0.000 0.254 109 E C 0.553 177.114 176.600 -0.064 0.000 1.228 109 E CA -0.292 56.099 56.400 -0.015 0.000 0.956 109 E CB 0.236 29.960 29.700 0.040 0.000 1.116 109 E HN 0.773 nan 8.360 nan 0.000 0.507 110 G N 0.312 109.080 108.800 -0.053 0.000 2.530 110 G HA2 -0.476 3.484 3.960 -0.000 0.000 0.247 110 G HA3 -0.476 3.484 3.960 -0.000 0.000 0.247 110 G C 1.301 176.122 174.900 -0.131 0.000 1.067 110 G CA 1.105 46.161 45.100 -0.073 0.000 0.650 110 G HN 0.780 nan 8.290 nan 0.000 0.531 111 A N 0.702 123.395 122.820 -0.212 0.000 1.997 111 A HA 0.169 4.489 4.320 -0.000 0.000 0.221 111 A C 2.877 180.296 177.584 -0.275 0.000 1.172 111 A CA 3.219 55.047 52.037 -0.350 0.000 0.645 111 A CB -0.991 17.594 19.000 -0.691 0.000 0.813 111 A HN 2.030 nan 8.150 nan 0.000 0.454 112 A N -0.335 122.367 122.820 -0.196 0.000 1.837 112 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 112 A C 2.120 179.615 177.584 -0.147 0.000 1.210 112 A CA 1.830 53.776 52.037 -0.153 0.000 0.632 112 A CB -0.695 18.241 19.000 -0.106 0.000 0.843 112 A HN 0.493 nan 8.150 nan 0.000 0.448 113 R N -0.703 119.727 120.500 -0.116 0.000 2.438 113 R HA -0.129 4.211 4.340 -0.000 0.000 0.227 113 R C 1.686 177.935 176.300 -0.086 0.000 1.153 113 R CA 0.924 56.964 56.100 -0.099 0.000 1.059 113 R CB -0.244 30.021 30.300 -0.059 0.000 0.831 113 R HN 0.582 nan 8.270 nan 0.000 0.487 114 L N -1.113 120.045 121.223 -0.108 0.000 2.276 114 L HA 0.147 4.487 4.340 -0.000 0.000 0.194 114 L C 1.973 178.813 176.870 -0.050 0.000 1.099 114 L CA 1.788 56.577 54.840 -0.085 0.000 0.800 114 L CB -1.314 40.644 42.059 -0.168 0.000 0.994 114 L HN 0.156 nan 8.230 nan 0.000 0.475 115 A N 0.172 122.928 122.820 -0.107 0.000 1.948 115 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 115 A C 2.070 179.644 177.584 -0.017 0.000 1.177 115 A CA 2.617 54.626 52.037 -0.047 0.000 0.636 115 A CB -1.349 17.619 19.000 -0.053 0.000 0.815 115 A HN 0.694 nan 8.150 nan 0.000 0.449 116 T N -2.945 111.536 114.554 -0.123 0.000 3.163 116 T HA 0.037 4.387 4.350 -0.000 0.000 0.260 116 T C 1.221 175.838 174.700 -0.137 0.000 1.156 116 T CA 1.377 63.309 62.100 -0.280 0.000 1.072 116 T CB -0.114 68.433 68.868 -0.534 0.000 0.937 116 T HN 0.640 nan 8.240 nan 0.000 0.528 117 E N -0.624 119.591 120.200 0.026 0.000 2.364 117 E HA 0.226 4.576 4.350 -0.000 0.000 0.196 117 E C -0.128 176.541 176.600 0.115 0.000 0.990 117 E CA 0.052 56.507 56.400 0.092 0.000 0.886 117 E CB 0.264 30.069 29.700 0.176 0.000 0.866 117 E HN 0.504 nan 8.360 nan 0.000 0.493 118 F N 0.320 120.239 119.950 -0.052 0.000 2.975 118 F HA 0.157 4.684 4.527 -0.000 0.000 0.311 118 F C 1.167 176.950 175.800 -0.027 0.000 1.239 118 F CA -0.230 57.751 58.000 -0.033 0.000 1.282 118 F CB 0.586 39.569 39.000 -0.029 0.000 1.071 118 F HN -0.054 nan 8.300 nan 0.000 0.516 119 S N -2.389 113.346 115.700 0.059 0.000 2.930 119 S HA 0.569 5.039 4.470 -0.000 0.000 0.253 119 S C 1.568 176.171 174.600 0.005 0.000 1.083 119 S CA 0.533 58.758 58.200 0.041 0.000 0.836 119 S CB 0.630 63.870 63.200 0.068 0.000 0.814 119 S HN 0.530 nan 8.310 nan 0.000 0.467 120 G N 3.410 112.211 108.800 0.000 0.000 4.686 120 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.235 120 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.235 120 G C 0.702 175.603 174.900 0.001 0.000 1.589 120 G CA 0.729 45.818 45.100 -0.019 0.000 1.172 120 G HN 0.843 nan 8.290 nan 0.000 0.660 121 N N -1.032 117.666 118.700 -0.003 0.000 2.486 121 N HA 0.350 5.090 4.740 -0.000 0.000 0.242 121 N C 0.446 175.942 175.510 -0.023 0.000 1.083 121 N CA 0.278 53.314 53.050 -0.023 0.000 0.844 121 N CB 0.802 39.269 38.487 -0.034 0.000 1.527 121 N HN 0.538 nan 8.380 nan 0.000 0.462 122 V N 3.895 123.807 119.914 -0.002 0.000 2.555 122 V HA 0.027 4.147 4.120 -0.000 0.000 0.299 122 V C -2.001 174.122 176.094 0.049 0.000 1.012 122 V CA -0.416 61.888 62.300 0.007 0.000 1.180 122 V CB -0.118 31.709 31.823 0.007 0.000 0.887 122 V HN 0.205 nan 8.190 nan 0.000 0.476 123 P HA 0.148 nan 4.420 nan 0.000 0.265 123 P C -0.320 177.049 177.300 0.116 0.000 1.187 123 P CA 0.311 63.425 63.100 0.023 0.000 0.766 123 P CB 0.614 32.282 31.700 -0.053 0.000 0.820 124 V N 3.840 123.894 119.914 0.232 0.000 3.181 124 V HA 0.618 4.738 4.120 -0.000 0.000 0.314 124 V C -0.172 175.991 176.094 0.114 0.000 1.173 124 V CA -0.794 61.595 62.300 0.149 0.000 1.052 124 V CB 2.008 33.869 31.823 0.064 0.000 1.123 124 V HN 0.388 nan 8.190 nan 0.000 0.454 125 L N 2.289 123.533 121.223 0.035 0.000 2.847 125 L HA 0.419 4.759 4.340 -0.000 0.000 0.243 125 L C -1.089 175.748 176.870 -0.057 0.000 0.978 125 L CA -0.185 54.660 54.840 0.007 0.000 1.030 125 L CB 0.824 42.883 42.059 0.001 0.000 1.351 125 L HN 0.791 nan 8.230 nan 0.000 0.512 126 N N 3.389 122.062 118.700 -0.046 0.000 2.437 126 N HA 0.525 5.265 4.740 -0.000 0.000 0.243 126 N C 0.267 175.704 175.510 -0.123 0.000 1.041 126 N CA 0.139 53.140 53.050 -0.081 0.000 0.940 126 N CB 1.639 40.079 38.487 -0.078 0.000 1.133 126 N HN 0.594 nan 8.380 nan 0.000 0.506 127 A N 3.582 126.288 122.820 -0.190 0.000 3.202 127 A HA 0.559 4.879 4.320 -0.000 0.000 0.258 127 A C 0.591 177.657 177.584 -0.863 0.000 1.572 127 A CA 0.039 51.863 52.037 -0.355 0.000 1.241 127 A CB -0.987 17.970 19.000 -0.071 0.000 1.127 127 A HN 0.893 nan 8.150 nan 0.000 0.648 128 G N 1.168 109.616 108.800 -0.586 0.000 3.313 128 G HA2 0.289 4.249 3.960 -0.000 0.000 0.659 128 G HA3 0.289 4.249 3.960 -0.000 0.000 0.659 128 G C -1.318 173.507 174.900 -0.125 0.000 1.286 128 G CA -0.328 44.542 45.100 -0.384 0.000 1.077 128 G HN 0.846 nan 8.290 nan 0.000 0.551 129 D N 1.980 122.348 120.400 -0.053 0.000 2.649 129 D HA 0.668 5.307 4.640 -0.000 0.000 0.249 129 D C 1.231 177.537 176.300 0.009 0.000 1.112 129 D CA 0.637 54.620 54.000 -0.028 0.000 0.850 129 D CB 1.281 42.056 40.800 -0.042 0.000 1.399 129 D HN 1.788 nan 8.370 nan 0.000 0.503 130 G N 3.201 112.011 108.800 0.016 0.000 2.698 130 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.346 130 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.346 130 G C 0.363 175.285 174.900 0.037 0.000 1.287 130 G CA 1.524 46.643 45.100 0.031 0.000 0.990 130 G HN 1.559 nan 8.290 nan 0.000 0.545 131 S N -0.512 115.225 115.700 0.062 0.000 2.399 131 S HA 0.575 5.045 4.470 -0.000 0.000 0.198 131 S C 0.112 174.749 174.600 0.062 0.000 1.294 131 S CA 0.535 58.749 58.200 0.024 0.000 1.237 131 S CB 0.913 64.164 63.200 0.084 0.000 1.286 131 S HN 0.814 nan 8.310 nan 0.000 0.404 132 N N 0.671 119.458 118.700 0.145 0.000 2.272 132 N HA 0.235 4.975 4.740 -0.000 0.000 0.228 132 N C -0.100 175.703 175.510 0.488 0.000 1.206 132 N CA 0.448 53.787 53.050 0.482 0.000 0.855 132 N CB 0.577 39.219 38.487 0.258 0.000 1.248 132 N HN 0.356 nan 8.380 nan 0.000 0.476 133 Q N -0.543 119.382 119.800 0.208 0.000 2.565 133 Q HA 0.344 4.684 4.340 -0.000 0.000 0.294 133 Q C -1.923 174.176 176.000 0.165 0.000 1.005 133 Q CA -0.499 55.416 55.803 0.185 0.000 0.771 133 Q CB 1.753 30.566 28.738 0.125 0.000 1.486 133 Q HN 0.344 nan 8.270 nan 0.000 0.422 134 H N 0.991 120.120 119.070 0.099 0.000 3.218 134 H HA 0.157 4.713 4.556 -0.000 0.000 0.300 134 H C -2.477 172.911 175.328 0.100 0.000 1.304 134 H CA -0.773 55.332 56.048 0.095 0.000 1.562 134 H CB 1.660 31.477 29.762 0.091 0.000 2.216 134 H HN 0.277 nan 8.280 nan 0.000 0.371 135 P HA -0.054 nan 4.420 nan 0.000 0.214 135 P C 1.255 178.731 177.300 0.295 0.000 1.152 135 P CA 1.506 64.755 63.100 0.248 0.000 0.874 135 P CB 0.441 32.238 31.700 0.161 0.000 0.782 136 T N -3.024 111.771 114.554 0.402 0.000 3.035 136 T HA -0.078 4.272 4.350 -0.000 0.000 0.268 136 T C 1.677 176.512 174.700 0.225 0.000 1.109 136 T CA 0.824 63.130 62.100 0.344 0.000 1.119 136 T CB -0.815 68.371 68.868 0.531 0.000 0.900 136 T HN -0.089 nan 8.240 nan 0.000 0.503 137 Q N 1.931 121.792 119.800 0.101 0.000 2.225 137 Q HA 0.239 4.579 4.340 -0.000 0.000 0.222 137 Q C 1.294 177.210 176.000 -0.140 0.000 0.887 137 Q CA 0.518 56.159 55.803 -0.271 0.000 0.958 137 Q CB -0.474 27.631 28.738 -1.056 0.000 1.058 137 Q HN 0.802 nan 8.270 nan 0.000 0.459 138 T N -4.966 109.578 114.554 -0.017 0.000 3.358 138 T HA 0.149 4.499 4.350 -0.000 0.000 0.263 138 T C 1.560 176.265 174.700 0.009 0.000 0.998 138 T CA 0.112 62.200 62.100 -0.020 0.000 1.130 138 T CB -0.587 68.295 68.868 0.025 0.000 1.165 138 T HN 0.156 nan 8.240 nan 0.000 0.426 139 L N 1.990 123.239 121.223 0.044 0.000 1.997 139 L HA -0.074 4.266 4.340 -0.000 0.000 0.216 139 L C 2.699 179.602 176.870 0.055 0.000 1.074 139 L CA 2.041 56.911 54.840 0.051 0.000 0.763 139 L CB -1.000 41.086 42.059 0.045 0.000 0.890 139 L HN 0.368 nan 8.230 nan 0.000 0.434 140 L N -1.775 119.467 121.223 0.032 0.000 2.197 140 L HA -0.233 4.107 4.340 -0.000 0.000 0.215 140 L C 1.709 178.684 176.870 0.175 0.000 1.095 140 L CA 1.951 56.825 54.840 0.057 0.000 0.764 140 L CB -0.954 41.114 42.059 0.016 0.000 0.897 140 L HN 0.189 nan 8.230 nan 0.000 0.436 141 D N -0.264 120.206 120.400 0.117 0.000 2.277 141 D HA 0.070 4.710 4.640 -0.000 0.000 0.209 141 D C 2.264 178.626 176.300 0.103 0.000 0.970 141 D CA 0.941 55.014 54.000 0.122 0.000 0.874 141 D CB -0.049 40.759 40.800 0.014 0.000 0.982 141 D HN 0.416 nan 8.370 nan 0.000 0.504 142 L N 0.285 121.553 121.223 0.075 0.000 2.450 142 L HA -0.175 4.165 4.340 -0.000 0.000 0.225 142 L C 2.051 179.024 176.870 0.172 0.000 1.145 142 L CA 0.487 55.372 54.840 0.074 0.000 0.801 142 L CB -0.237 41.869 42.059 0.079 0.000 0.924 142 L HN -0.016 nan 8.230 nan 0.000 0.447 143 F N 0.495 120.466 119.950 0.035 0.000 2.179 143 F HA -0.102 4.425 4.527 -0.000 0.000 0.292 143 F C 2.454 178.283 175.800 0.047 0.000 1.089 143 F CA 1.463 59.498 58.000 0.058 0.000 1.295 143 F CB -0.564 38.503 39.000 0.112 0.000 1.041 143 F HN -0.073 nan 8.300 nan 0.000 0.487 144 T N 1.416 116.091 114.554 0.201 0.000 3.077 144 T HA -0.103 4.247 4.350 -0.000 0.000 0.269 144 T C 2.154 176.794 174.700 -0.100 0.000 1.146 144 T CA 1.216 63.354 62.100 0.064 0.000 1.091 144 T CB -0.431 68.556 68.868 0.199 0.000 0.892 144 T HN 0.267 nan 8.240 nan 0.000 0.533 145 I N 0.451 120.985 120.570 -0.060 0.000 2.406 145 I HA -0.099 4.071 4.170 -0.000 0.000 0.249 145 I C 2.475 178.507 176.117 -0.143 0.000 1.122 145 I CA 0.988 62.220 61.300 -0.113 0.000 1.431 145 I CB -0.184 37.767 38.000 -0.082 0.000 1.087 145 I HN 0.125 nan 8.210 nan 0.000 0.424 146 Q N 0.452 120.178 119.800 -0.125 0.000 2.269 146 Q HA -0.108 4.232 4.340 -0.000 0.000 0.201 146 Q C 1.886 177.747 176.000 -0.232 0.000 0.946 146 Q CA 0.854 56.569 55.803 -0.146 0.000 0.877 146 Q CB -0.084 28.591 28.738 -0.104 0.000 0.963 146 Q HN 0.372 nan 8.270 nan 0.000 0.472 147 E N -0.797 119.222 120.200 -0.301 0.000 2.204 147 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 147 E C 1.503 177.785 176.600 -0.530 0.000 0.989 147 E CA 1.638 57.812 56.400 -0.377 0.000 0.824 147 E CB 0.253 29.768 29.700 -0.309 0.000 0.756 147 E HN 0.552 nan 8.360 nan 0.000 0.477 148 T N -2.896 111.362 114.554 -0.494 0.000 3.046 148 T HA 0.053 4.403 4.350 -0.000 0.000 0.242 148 T C 1.369 175.897 174.700 -0.286 0.000 1.018 148 T CA 0.155 61.962 62.100 -0.488 0.000 1.131 148 T CB 0.170 68.747 68.868 -0.485 0.000 0.904 148 T HN -0.079 nan 8.240 nan 0.000 0.459 149 Q N 0.342 120.008 119.800 -0.223 0.000 2.081 149 Q HA 0.537 4.877 4.340 -0.000 0.000 0.220 149 Q C 1.237 177.163 176.000 -0.123 0.000 0.775 149 Q CA 0.194 55.904 55.803 -0.155 0.000 0.983 149 Q CB 1.077 29.731 28.738 -0.140 0.000 1.188 149 Q HN 0.604 nan 8.270 nan 0.000 0.458 150 G N 2.290 111.012 108.800 -0.130 0.000 2.596 150 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.304 150 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.304 150 G C -0.079 174.785 174.900 -0.060 0.000 1.189 150 G CA 0.005 45.053 45.100 -0.087 0.000 0.986 150 G HN 0.439 nan 8.290 nan 0.000 0.548 151 R N 0.782 121.263 120.500 -0.031 0.000 2.820 151 R HA -0.076 4.264 4.340 -0.000 0.000 0.244 151 R C 1.127 177.395 176.300 -0.054 0.000 0.843 151 R CA 1.287 57.385 56.100 -0.003 0.000 1.065 151 R CB -0.239 30.060 30.300 -0.002 0.000 0.915 151 R HN 0.638 nan 8.270 nan 0.000 0.407 152 L N 3.536 124.741 121.223 -0.029 0.000 2.477 152 L HA 0.165 4.505 4.340 -0.000 0.000 0.220 152 L C 0.790 177.273 176.870 -0.645 0.000 1.106 152 L CA 0.685 55.365 54.840 -0.266 0.000 0.851 152 L CB -0.404 41.571 42.059 -0.139 0.000 0.994 152 L HN 0.597 nan 8.230 nan 0.000 0.462 153 D N 0.666 120.898 120.400 -0.280 0.000 2.243 153 D HA -0.008 4.632 4.640 -0.000 0.000 0.237 153 D C 0.391 176.566 176.300 -0.209 0.000 1.364 153 D CA 0.351 54.274 54.000 -0.128 0.000 0.927 153 D CB -0.089 40.839 40.800 0.212 0.000 1.216 153 D HN 0.361 nan 8.370 nan 0.000 0.517 154 N N -0.508 118.140 118.700 -0.087 0.000 1.614 154 N HA -0.072 4.668 4.740 -0.000 0.000 0.364 154 N C -1.052 174.366 175.510 -0.154 0.000 1.227 154 N CA 0.819 53.805 53.050 -0.107 0.000 0.769 154 N CB -0.003 38.467 38.487 -0.027 0.000 0.982 154 N HN 0.409 nan 8.380 nan 0.000 0.526 155 L N 0.336 121.408 121.223 -0.251 0.000 2.995 155 L HA 0.431 4.771 4.340 -0.000 0.000 0.281 155 L C -1.057 175.530 176.870 -0.472 0.000 1.010 155 L CA -0.931 53.776 54.840 -0.222 0.000 1.019 155 L CB 1.641 43.571 42.059 -0.215 0.000 1.601 155 L HN 0.696 nan 8.230 nan 0.000 0.360 156 H N 0.400 119.376 119.070 -0.157 0.000 3.162 156 H HA 0.402 4.958 4.556 -0.000 0.000 0.309 156 H C -0.866 174.295 175.328 -0.278 0.000 1.156 156 H CA -0.240 55.715 56.048 -0.156 0.000 1.586 156 H CB 1.353 30.969 29.762 -0.242 0.000 1.740 156 H HN 0.182 nan 8.280 nan 0.000 0.525 157 V N 1.199 121.001 119.914 -0.186 0.000 4.089 157 V HA 0.747 4.867 4.120 -0.000 0.000 0.267 157 V C 0.786 176.798 176.094 -0.136 0.000 0.997 157 V CA -0.300 61.878 62.300 -0.204 0.000 0.788 157 V CB 0.794 32.433 31.823 -0.306 0.000 1.175 157 V HN 0.887 nan 8.190 nan 0.000 0.383 158 A N 0.182 122.953 122.820 -0.082 0.000 2.541 158 A HA 0.654 4.974 4.320 -0.000 0.000 0.312 158 A C -1.402 176.205 177.584 0.038 0.000 1.025 158 A CA -0.504 51.523 52.037 -0.017 0.000 0.887 158 A CB 0.570 19.536 19.000 -0.058 0.000 1.189 158 A HN 0.552 nan 8.150 nan 0.000 0.377 159 M N 2.977 122.615 119.600 0.064 0.000 1.987 159 M HA 0.417 4.897 4.480 -0.000 0.000 0.298 159 M C -0.125 176.215 176.300 0.067 0.000 0.892 159 M CA -0.140 55.233 55.300 0.121 0.000 0.885 159 M CB 1.378 34.115 32.600 0.228 0.000 1.469 159 M HN 0.506 nan 8.290 nan 0.000 0.389 160 V N 1.257 121.179 119.914 0.013 0.000 3.489 160 V HA 0.868 4.988 4.120 -0.000 0.000 0.297 160 V C 1.221 177.380 176.094 0.110 0.000 1.071 160 V CA 0.444 62.739 62.300 -0.009 0.000 1.074 160 V CB 0.725 32.554 31.823 0.010 0.000 1.188 160 V HN 1.015 nan 8.190 nan 0.000 0.458 161 G N 1.084 110.024 108.800 0.234 0.000 2.562 161 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.250 161 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.250 161 G C -0.373 174.671 174.900 0.240 0.000 1.269 161 G CA 0.333 45.586 45.100 0.254 0.000 0.919 161 G HN 1.026 nan 8.290 nan 0.000 0.574 162 D N 0.559 121.083 120.400 0.206 0.000 2.383 162 D HA 0.455 5.095 4.640 -0.000 0.000 0.252 162 D C 1.432 177.842 176.300 0.183 0.000 1.166 162 D CA 0.107 54.237 54.000 0.216 0.000 0.879 162 D CB 0.478 41.433 40.800 0.258 0.000 1.164 162 D HN 0.481 nan 8.370 nan 0.000 0.462 163 L N 3.105 124.422 121.223 0.157 0.000 2.993 163 L HA 0.214 4.554 4.340 -0.000 0.000 0.264 163 L C 2.050 178.998 176.870 0.129 0.000 1.154 163 L CA -0.339 54.596 54.840 0.157 0.000 0.972 163 L CB 0.180 42.343 42.059 0.174 0.000 1.373 163 L HN 0.357 nan 8.230 nan 0.000 0.564 164 K N 0.197 120.611 120.400 0.025 0.000 2.099 164 K HA -0.028 4.292 4.320 -0.000 0.000 0.203 164 K C 1.927 178.586 176.600 0.098 0.000 1.047 164 K CA 0.993 57.242 56.287 -0.063 0.000 0.963 164 K CB 0.122 32.429 32.500 -0.321 0.000 0.759 164 K HN 0.005 nan 8.250 nan 0.000 0.451 165 Y N 1.029 121.425 120.300 0.161 0.000 2.113 165 Y HA 0.048 4.598 4.550 -0.000 0.000 0.269 165 Y C 1.474 177.313 175.900 -0.102 0.000 1.098 165 Y CA 0.936 59.094 58.100 0.096 0.000 1.083 165 Y CB -1.312 37.187 38.460 0.065 0.000 0.997 165 Y HN 0.105 nan 8.280 nan 0.000 0.476 166 G N 1.209 110.065 108.800 0.094 0.000 2.635 166 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.264 166 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.264 166 G C 0.811 175.444 174.900 -0.445 0.000 0.583 166 G CA 0.322 45.368 45.100 -0.090 0.000 1.071 166 G HN 0.608 nan 8.290 nan 0.000 0.270 167 R N 1.321 121.677 120.500 -0.240 0.000 2.323 167 R HA 0.052 4.391 4.340 -0.000 0.000 0.198 167 R C 1.605 177.930 176.300 0.042 0.000 0.988 167 R CA 1.011 57.005 56.100 -0.177 0.000 1.041 167 R CB -0.146 30.162 30.300 0.013 0.000 0.926 167 R HN 0.416 nan 8.270 nan 0.000 0.476 168 T N 1.276 115.854 114.554 0.040 0.000 2.815 168 T HA -0.041 4.309 4.350 -0.000 0.000 0.244 168 T C 1.810 176.585 174.700 0.124 0.000 1.040 168 T CA 1.428 63.581 62.100 0.088 0.000 1.176 168 T CB -0.033 68.857 68.868 0.036 0.000 0.880 168 T HN 0.246 nan 8.240 nan 0.000 0.414 169 V N 0.072 120.076 119.914 0.151 0.000 3.383 169 V HA -0.061 4.059 4.120 -0.000 0.000 0.272 169 V C 1.871 178.128 176.094 0.272 0.000 1.181 169 V CA 1.426 63.856 62.300 0.217 0.000 1.171 169 V CB -1.520 30.466 31.823 0.271 0.000 0.800 169 V HN 0.634 nan 8.190 nan 0.000 0.515 170 H N 0.704 119.847 119.070 0.122 0.000 2.457 170 H HA -0.097 4.459 4.556 -0.000 0.000 0.297 170 H C 2.287 177.668 175.328 0.087 0.000 1.092 170 H CA 1.285 57.387 56.048 0.089 0.000 1.309 170 H CB 0.197 30.011 29.762 0.087 0.000 1.382 170 H HN 0.537 nan 8.280 nan 0.000 0.535 171 S N 0.251 116.085 115.700 0.223 0.000 2.562 171 S HA -0.035 4.435 4.470 -0.000 0.000 0.221 171 S C 1.641 176.326 174.600 0.142 0.000 0.975 171 S CA -0.057 58.237 58.200 0.155 0.000 0.918 171 S CB 0.107 63.393 63.200 0.144 0.000 0.772 171 S HN 0.107 nan 8.310 nan 0.000 0.531 172 L N 1.678 123.003 121.223 0.170 0.000 1.910 172 L HA -0.060 4.280 4.340 -0.000 0.000 0.221 172 L C 1.752 178.810 176.870 0.315 0.000 1.084 172 L CA 1.704 56.670 54.840 0.211 0.000 0.779 172 L CB -1.691 40.521 42.059 0.255 0.000 0.888 172 L HN 0.110 nan 8.230 nan 0.000 0.432 173 T N 0.271 115.037 114.554 0.354 0.000 4.354 173 T HA 0.094 4.444 4.350 -0.000 0.000 0.234 173 T C 0.808 175.495 174.700 -0.021 0.000 0.798 173 T CA 0.659 62.834 62.100 0.125 0.000 0.885 173 T CB -0.620 68.253 68.868 0.009 0.000 1.350 173 T HN 0.543 nan 8.240 nan 0.000 0.755 174 Q N -0.991 118.849 119.800 0.066 0.000 2.038 174 Q HA 0.404 4.744 4.340 -0.000 0.000 0.202 174 Q C 1.599 177.641 176.000 0.070 0.000 0.690 174 Q CA 0.294 56.113 55.803 0.026 0.000 0.834 174 Q CB -0.367 28.386 28.738 0.024 0.000 1.250 174 Q HN 0.223 nan 8.270 nan 0.000 0.430 175 A N 0.376 123.266 122.820 0.117 0.000 1.943 175 A HA 0.309 4.629 4.320 -0.000 0.000 0.213 175 A C 1.744 179.436 177.584 0.181 0.000 1.181 175 A CA 1.034 53.148 52.037 0.128 0.000 0.653 175 A CB -0.128 18.945 19.000 0.122 0.000 0.833 175 A HN 0.275 nan 8.150 nan 0.000 0.451 176 L N -0.888 120.471 121.223 0.227 0.000 2.477 176 L HA 0.354 4.694 4.340 -0.000 0.000 0.220 176 L C 2.145 179.198 176.870 0.304 0.000 1.106 176 L CA 1.148 56.169 54.840 0.302 0.000 0.851 176 L CB -0.162 42.051 42.059 0.257 0.000 0.994 176 L HN 0.271 nan 8.230 nan 0.000 0.462 177 A N -0.590 122.338 122.820 0.180 0.000 2.263 177 A HA -0.049 4.271 4.320 -0.000 0.000 0.205 177 A C 1.351 178.971 177.584 0.061 0.000 1.226 177 A CA 0.834 52.893 52.037 0.036 0.000 0.810 177 A CB -0.587 18.348 19.000 -0.109 0.000 0.784 177 A HN 0.512 nan 8.150 nan 0.000 0.486 178 K N -2.426 118.051 120.400 0.127 0.000 2.589 178 K HA 0.271 4.590 4.320 -0.000 0.000 0.198 178 K C -0.005 176.662 176.600 0.113 0.000 1.114 178 K CA -0.297 56.042 56.287 0.087 0.000 1.070 178 K CB 0.344 32.875 32.500 0.051 0.000 0.860 178 K HN 0.291 nan 8.250 nan 0.000 0.536 179 F N 1.694 121.675 119.950 0.051 0.000 2.506 179 F HA 0.342 4.869 4.527 -0.000 0.000 0.215 179 F C -0.568 175.256 175.800 0.039 0.000 1.168 179 F CA 0.371 58.398 58.000 0.045 0.000 0.942 179 F CB 0.811 39.842 39.000 0.052 0.000 1.083 179 F HN -0.193 nan 8.300 nan 0.000 0.661 180 D N -1.255 119.579 120.400 0.724 0.000 2.633 180 D HA 0.257 4.897 4.640 -0.000 0.000 0.198 180 D C -0.144 176.304 176.300 0.246 0.000 1.273 180 D CA 0.605 54.838 54.000 0.388 0.000 0.830 180 D CB 1.581 42.562 40.800 0.302 0.000 1.771 180 D HN 0.707 nan 8.370 nan 0.000 0.547 181 G N 2.474 111.365 108.800 0.152 0.000 2.244 181 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.274 181 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.274 181 G C 0.189 175.110 174.900 0.036 0.000 1.002 181 G CA 0.402 45.555 45.100 0.089 0.000 0.740 181 G HN 0.465 nan 8.290 nan 0.000 0.516 182 N N 0.035 118.766 118.700 0.052 0.000 2.530 182 N HA 0.496 5.236 4.740 -0.000 0.000 0.273 182 N C 0.374 175.902 175.510 0.029 0.000 1.173 182 N CA -0.105 52.919 53.050 -0.042 0.000 0.967 182 N CB 0.564 39.010 38.487 -0.069 0.000 1.109 182 N HN 0.143 nan 8.380 nan 0.000 0.453 183 R N 1.806 122.203 120.500 -0.170 0.000 2.295 183 R HA 0.320 4.660 4.340 -0.000 0.000 0.324 183 R C -1.019 175.263 176.300 -0.029 0.000 0.968 183 R CA -0.572 55.491 56.100 -0.063 0.000 0.837 183 R CB 0.358 30.472 30.300 -0.309 0.000 1.133 183 R HN 0.458 nan 8.270 nan 0.000 0.450 184 F N 3.547 123.470 119.950 -0.045 0.000 2.424 184 F HA 0.236 4.763 4.527 -0.000 0.000 0.356 184 F C -0.037 175.541 175.800 -0.370 0.000 1.110 184 F CA -0.126 57.728 58.000 -0.243 0.000 1.161 184 F CB 0.621 39.477 39.000 -0.240 0.000 1.115 184 F HN 0.347 nan 8.300 nan 0.000 0.507 185 Y N 4.361 124.409 120.300 -0.420 0.000 2.388 185 Y HA 0.437 4.987 4.550 -0.000 0.000 0.328 185 Y C -0.717 174.997 175.900 -0.311 0.000 0.963 185 Y CA -0.936 57.032 58.100 -0.220 0.000 1.240 185 Y CB 0.562 38.953 38.460 -0.115 0.000 1.118 185 Y HN 0.343 nan 8.280 nan 0.000 0.484 186 F N 3.657 123.714 119.950 0.180 0.000 2.483 186 F HA 0.735 5.262 4.527 -0.000 0.000 0.329 186 F C -0.161 175.641 175.800 0.003 0.000 1.064 186 F CA -1.191 56.881 58.000 0.120 0.000 0.986 186 F CB 1.384 40.469 39.000 0.141 0.000 1.218 186 F HN 0.094 nan 8.300 nan 0.000 0.484 187 I N 2.024 122.665 120.570 0.118 0.000 2.608 187 I HA 0.583 4.753 4.170 -0.000 0.000 0.280 187 I C -1.127 174.861 176.117 -0.214 0.000 1.186 187 I CA -0.314 60.855 61.300 -0.218 0.000 1.081 187 I CB 1.411 39.135 38.000 -0.460 0.000 1.272 187 I HN 0.733 nan 8.210 nan 0.000 0.460 188 A N 5.948 128.744 122.820 -0.040 0.000 2.583 188 A HA 0.759 5.079 4.320 -0.000 0.000 0.298 188 A C -3.115 174.626 177.584 0.261 0.000 1.055 188 A CA -1.190 50.968 52.037 0.201 0.000 0.714 188 A CB 1.420 20.516 19.000 0.161 0.000 1.277 188 A HN 0.285 nan 8.150 nan 0.000 0.406 189 P HA 0.090 nan 4.420 nan 0.000 0.263 189 P C 0.469 177.842 177.300 0.122 0.000 1.175 189 P CA 1.189 64.418 63.100 0.216 0.000 0.761 189 P CB 0.461 32.260 31.700 0.165 0.000 0.794 190 D N 4.208 124.664 120.400 0.094 0.000 3.134 190 D HA -0.399 4.241 4.640 -0.000 0.000 0.482 190 D C 1.509 177.819 176.300 0.016 0.000 1.049 190 D CA 2.510 56.540 54.000 0.050 0.000 1.379 190 D CB -1.402 39.424 40.800 0.044 0.000 0.865 190 D HN 0.325 nan 8.370 nan 0.000 0.499 191 A N -0.341 122.483 122.820 0.006 0.000 1.978 191 A HA -0.029 4.291 4.320 -0.000 0.000 0.220 191 A C 2.584 180.111 177.584 -0.095 0.000 1.170 191 A CA 1.773 53.785 52.037 -0.042 0.000 0.636 191 A CB -0.798 18.179 19.000 -0.037 0.000 0.810 191 A HN 0.447 nan 8.150 nan 0.000 0.448 192 L N -1.001 120.193 121.223 -0.049 0.000 2.240 192 L HA 0.005 4.345 4.340 -0.000 0.000 0.211 192 L C 2.327 179.190 176.870 -0.011 0.000 1.106 192 L CA 0.513 55.324 54.840 -0.049 0.000 0.793 192 L CB -0.416 41.681 42.059 0.063 0.000 0.927 192 L HN 0.361 nan 8.230 nan 0.000 0.446 193 A N 0.433 123.255 122.820 0.003 0.000 2.028 193 A HA 0.037 4.357 4.320 -0.000 0.000 0.207 193 A C 0.844 178.355 177.584 -0.122 0.000 1.396 193 A CA 0.049 52.080 52.037 -0.011 0.000 1.257 193 A CB -1.155 17.847 19.000 0.004 0.000 0.752 193 A HN 0.482 nan 8.150 nan 0.000 0.549 194 M N -0.943 118.586 119.600 -0.119 0.000 4.047 194 M HA -0.109 4.371 4.480 -0.000 0.000 0.157 194 M C -2.408 173.715 176.300 -0.294 0.000 1.532 194 M CA 0.177 55.353 55.300 -0.206 0.000 1.097 194 M CB -0.300 32.159 32.600 -0.236 0.000 1.346 194 M HN 0.332 nan 8.290 nan 0.000 0.190 195 P HA -0.056 nan 4.420 nan 0.000 0.269 195 P C -0.539 176.506 177.300 -0.425 0.000 1.215 195 P CA 0.059 62.889 63.100 -0.450 0.000 0.780 195 P CB 0.587 31.737 31.700 -0.917 0.000 0.898 196 Q N 1.385 121.055 119.800 -0.217 0.000 2.436 196 Q HA -0.120 4.220 4.340 -0.000 0.000 0.209 196 Q C 1.580 177.496 176.000 -0.140 0.000 0.965 196 Q CA 1.201 56.918 55.803 -0.143 0.000 0.910 196 Q CB -0.342 28.403 28.738 0.012 0.000 0.980 196 Q HN 0.634 nan 8.270 nan 0.000 0.491 197 Y N -2.805 117.398 120.300 -0.162 0.000 2.475 197 Y HA 0.078 4.628 4.550 -0.000 0.000 0.289 197 Y C 1.591 177.379 175.900 -0.187 0.000 1.121 197 Y CA 0.100 58.107 58.100 -0.154 0.000 1.257 197 Y CB -0.184 38.207 38.460 -0.114 0.000 1.026 197 Y HN -0.064 nan 8.280 nan 0.000 0.555 198 I N 1.058 121.429 120.570 -0.332 0.000 3.030 198 I HA -0.054 4.116 4.170 -0.000 0.000 0.270 198 I C 1.707 177.622 176.117 -0.337 0.000 1.211 198 I CA 0.751 61.876 61.300 -0.292 0.000 1.479 198 I CB -0.679 37.096 38.000 -0.375 0.000 1.105 198 I HN 0.398 nan 8.210 nan 0.000 0.447 199 L N -0.172 120.785 121.223 -0.444 0.000 2.558 199 L HA 0.045 4.385 4.340 -0.000 0.000 0.225 199 L C 1.323 177.804 176.870 -0.648 0.000 1.128 199 L CA 0.455 54.864 54.840 -0.719 0.000 0.868 199 L CB -0.296 41.208 42.059 -0.925 0.000 1.006 199 L HN 0.117 nan 8.230 nan 0.000 0.454 200 D N 0.106 120.306 120.400 -0.332 0.000 2.350 200 D HA -0.021 4.619 4.640 -0.000 0.000 0.213 200 D C 1.992 178.197 176.300 -0.158 0.000 1.031 200 D CA 0.351 54.231 54.000 -0.201 0.000 0.861 200 D CB 0.512 41.264 40.800 -0.080 0.000 0.926 200 D HN 0.204 nan 8.370 nan 0.000 0.520 201 M N 0.972 120.465 119.600 -0.178 0.000 2.506 201 M HA 0.015 4.495 4.480 -0.000 0.000 0.260 201 M C 1.222 177.437 176.300 -0.142 0.000 1.104 201 M CA 0.650 55.876 55.300 -0.124 0.000 1.112 201 M CB -0.068 32.470 32.600 -0.103 0.000 1.401 201 M HN -0.032 nan 8.290 nan 0.000 0.473 202 L N -2.506 118.578 121.223 -0.233 0.000 2.645 202 L HA 0.193 4.533 4.340 -0.000 0.000 0.234 202 L C 0.799 177.589 176.870 -0.134 0.000 1.165 202 L CA -0.133 54.575 54.840 -0.220 0.000 0.944 202 L CB -0.756 41.071 42.059 -0.387 0.000 1.149 202 L HN -0.073 nan 8.230 nan 0.000 0.446 203 D N 1.333 121.676 120.400 -0.096 0.000 2.277 203 D HA -0.110 4.529 4.640 -0.000 0.000 0.208 203 D C 1.845 178.146 176.300 0.001 0.000 0.962 203 D CA 0.853 54.840 54.000 -0.021 0.000 0.865 203 D CB 0.279 41.069 40.800 -0.017 0.000 0.939 203 D HN 0.600 nan 8.370 nan 0.000 0.510 204 E N 1.284 121.475 120.200 -0.014 0.000 2.347 204 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 204 E C 1.664 178.270 176.600 0.010 0.000 1.008 204 E CA 0.811 57.210 56.400 -0.002 0.000 0.852 204 E CB -0.044 29.651 29.700 -0.010 0.000 0.783 204 E HN 0.324 nan 8.360 nan 0.000 0.505 205 K N 0.129 120.538 120.400 0.015 0.000 2.502 205 K HA 0.080 4.400 4.320 -0.000 0.000 0.211 205 K C 1.012 177.648 176.600 0.059 0.000 1.259 205 K CA 0.646 56.953 56.287 0.033 0.000 0.983 205 K CB -0.359 32.160 32.500 0.032 0.000 1.054 205 K HN 0.037 nan 8.250 nan 0.000 0.572 206 G N 3.373 112.216 108.800 0.071 0.000 2.306 206 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.274 206 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.274 206 G C -0.050 174.955 174.900 0.175 0.000 0.890 206 G CA 0.781 45.969 45.100 0.146 0.000 1.298 206 G HN 0.465 nan 8.290 nan 0.000 0.445 207 I N 1.019 121.704 120.570 0.192 0.000 4.202 207 I HA 0.847 5.017 4.170 -0.000 0.000 0.242 207 I C 1.208 177.527 176.117 0.336 0.000 1.483 207 I CA -0.355 61.065 61.300 0.201 0.000 1.007 207 I CB 0.804 38.904 38.000 0.167 0.000 1.638 207 I HN 0.704 nan 8.210 nan 0.000 0.682 208 A N 1.597 124.598 122.820 0.301 0.000 2.425 208 A HA 0.494 4.814 4.320 -0.000 0.000 0.242 208 A C -1.340 176.605 177.584 0.601 0.000 1.077 208 A CA 0.291 52.523 52.037 0.325 0.000 0.781 208 A CB -0.170 18.956 19.000 0.209 0.000 1.020 208 A HN 0.880 nan 8.150 nan 0.000 0.494 209 W N 0.286 121.684 121.300 0.163 0.000 4.661 209 W HA 0.437 5.097 4.660 -0.000 0.000 0.239 209 W C -1.039 175.649 176.519 0.282 0.000 1.360 209 W CA -0.239 57.325 57.345 0.364 0.000 1.538 209 W CB -0.850 28.785 29.460 0.291 0.000 0.961 209 W HN 1.459 nan 8.180 nan 0.000 0.476 210 S N 2.151 118.045 115.700 0.323 0.000 2.705 210 S HA 0.909 5.379 4.470 -0.000 0.000 0.280 210 S C -1.844 172.921 174.600 0.274 0.000 1.174 210 S CA -0.997 57.256 58.200 0.088 0.000 0.823 210 S CB 2.863 65.971 63.200 -0.152 0.000 1.162 210 S HN 1.187 nan 8.310 nan 0.000 0.487 211 L N 1.891 123.216 121.223 0.171 0.000 2.516 211 L HA 0.725 5.065 4.340 -0.000 0.000 0.267 211 L C -1.583 175.440 176.870 0.254 0.000 0.957 211 L CA 0.015 54.989 54.840 0.224 0.000 0.860 211 L CB 1.848 43.998 42.059 0.151 0.000 1.265 211 L HN 1.109 nan 8.230 nan 0.000 0.403 212 H N 2.263 121.348 119.070 0.025 0.000 3.079 212 H HA 0.565 5.121 4.556 -0.000 0.000 0.356 212 H C 0.020 175.375 175.328 0.045 0.000 1.221 212 H CA -0.189 55.876 56.048 0.028 0.000 1.185 212 H CB 0.827 30.595 29.762 0.009 0.000 1.882 212 H HN 0.783 nan 8.280 nan 0.000 0.543 213 S N 1.403 117.160 115.700 0.095 0.000 2.891 213 S HA -0.215 4.255 4.470 -0.000 0.000 0.619 213 S C 0.144 174.777 174.600 0.055 0.000 3.151 213 S CA 1.383 59.622 58.200 0.065 0.000 3.920 213 S CB -1.097 62.134 63.200 0.052 0.000 0.532 213 S HN 0.981 nan 8.310 nan 0.000 1.481 214 S N 0.797 116.536 115.700 0.065 0.000 2.690 214 S HA 0.536 5.006 4.470 -0.000 0.000 0.291 214 S C 1.532 176.142 174.600 0.018 0.000 1.138 214 S CA -0.421 57.847 58.200 0.113 0.000 1.013 214 S CB 1.096 64.386 63.200 0.151 0.000 1.053 214 S HN 0.536 nan 8.310 nan 0.000 0.539 215 I N 1.674 122.264 120.570 0.034 0.000 2.315 215 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 215 I C 2.132 178.236 176.117 -0.021 0.000 1.125 215 I CA 1.443 62.734 61.300 -0.015 0.000 1.392 215 I CB -1.958 36.053 38.000 0.020 0.000 1.065 215 I HN 0.777 nan 8.210 nan 0.000 0.424 216 E N 1.691 121.894 120.200 0.005 0.000 2.208 216 E HA -0.272 4.078 4.350 -0.000 0.000 0.202 216 E C 1.650 178.228 176.600 -0.037 0.000 1.014 216 E CA 1.788 58.181 56.400 -0.011 0.000 0.819 216 E CB -0.374 29.332 29.700 0.010 0.000 0.735 216 E HN 0.773 nan 8.360 nan 0.000 0.469 217 E N 0.475 120.654 120.200 -0.036 0.000 2.372 217 E HA 0.048 4.398 4.350 -0.000 0.000 0.201 217 E C 1.563 178.130 176.600 -0.056 0.000 0.938 217 E CA 0.265 56.641 56.400 -0.040 0.000 0.944 217 E CB 0.341 30.031 29.700 -0.016 0.000 0.937 217 E HN 0.077 nan 8.360 nan 0.000 0.495 218 V N 1.461 121.325 119.914 -0.083 0.000 3.577 218 V HA 0.043 4.163 4.120 -0.000 0.000 0.294 218 V C 1.493 177.507 176.094 -0.133 0.000 1.317 218 V CA 0.502 62.749 62.300 -0.087 0.000 1.169 218 V CB 0.015 31.786 31.823 -0.086 0.000 1.011 218 V HN 0.189 nan 8.190 nan 0.000 0.426 219 M N 1.261 120.791 119.600 -0.117 0.000 2.435 219 M HA 0.293 4.773 4.480 -0.000 0.000 0.265 219 M C 1.729 177.942 176.300 -0.146 0.000 1.104 219 M CA 1.180 56.399 55.300 -0.135 0.000 1.140 219 M CB -0.091 32.444 32.600 -0.107 0.000 1.372 219 M HN 0.232 nan 8.290 nan 0.000 0.456 220 A N -0.451 122.297 122.820 -0.120 0.000 2.503 220 A HA 0.246 4.566 4.320 -0.000 0.000 0.263 220 A C 1.034 178.542 177.584 -0.127 0.000 1.360 220 A CA 0.214 52.185 52.037 -0.110 0.000 0.969 220 A CB -0.463 18.489 19.000 -0.081 0.000 1.000 220 A HN 0.458 nan 8.150 nan 0.000 0.530 221 E N -1.036 119.054 120.200 -0.184 0.000 2.673 221 E HA 0.076 4.426 4.350 -0.000 0.000 0.215 221 E C -0.042 176.312 176.600 -0.410 0.000 0.935 221 E CA 0.373 56.623 56.400 -0.249 0.000 1.341 221 E CB 0.916 30.519 29.700 -0.161 0.000 1.277 221 E HN 0.462 nan 8.360 nan 0.000 0.667 222 V N 0.320 120.010 119.914 -0.375 0.000 2.546 222 V HA 0.380 4.500 4.120 -0.000 0.000 0.284 222 V C 0.718 176.651 176.094 -0.268 0.000 1.050 222 V CA -0.117 61.946 62.300 -0.394 0.000 0.981 222 V CB 1.979 33.601 31.823 -0.335 0.000 0.990 222 V HN -0.123 nan 8.190 nan 0.000 0.474 223 D N 2.906 123.179 120.400 -0.212 0.000 2.423 223 D HA 0.252 4.892 4.640 -0.000 0.000 0.208 223 D C 0.175 176.383 176.300 -0.153 0.000 1.068 223 D CA 0.395 54.307 54.000 -0.146 0.000 0.860 223 D CB 0.518 41.282 40.800 -0.059 0.000 0.992 223 D HN 0.678 nan 8.370 nan 0.000 0.504 224 I N 1.386 121.857 120.570 -0.165 0.000 2.627 224 I HA 0.190 4.360 4.170 -0.000 0.000 0.288 224 I C -1.403 174.649 176.117 -0.108 0.000 1.202 224 I CA -0.713 60.507 61.300 -0.134 0.000 1.050 224 I CB 2.668 40.584 38.000 -0.141 0.000 1.264 224 I HN -0.249 nan 8.210 nan 0.000 0.429 225 L N 7.398 128.588 121.223 -0.056 0.000 2.301 225 L HA 0.387 4.727 4.340 -0.000 0.000 0.278 225 L C -1.331 175.595 176.870 0.094 0.000 1.022 225 L CA -0.345 54.485 54.840 -0.017 0.000 0.854 225 L CB 0.664 42.694 42.059 -0.047 0.000 1.226 225 L HN 0.473 nan 8.230 nan 0.000 0.429 226 Y N 5.852 126.138 120.300 -0.023 0.000 2.686 226 Y HA 0.479 5.029 4.550 -0.000 0.000 0.331 226 Y C 0.227 176.158 175.900 0.052 0.000 0.996 226 Y CA -1.159 56.956 58.100 0.025 0.000 1.293 226 Y CB 0.688 39.146 38.460 -0.004 0.000 1.092 226 Y HN 0.669 nan 8.280 nan 0.000 0.524 227 M N 2.104 121.561 119.600 -0.239 0.000 1.738 227 M HA 0.654 5.134 4.480 -0.000 0.000 0.184 227 M C -0.664 175.445 176.300 -0.319 0.000 1.265 227 M CA -0.096 55.122 55.300 -0.137 0.000 0.834 227 M CB 0.225 32.823 32.600 -0.004 0.000 1.163 227 M HN 0.395 nan 8.290 nan 0.000 0.436 228 T N -0.519 114.009 114.554 -0.042 0.000 3.291 228 T HA 0.294 4.644 4.350 -0.000 0.000 0.344 228 T C -1.079 173.684 174.700 0.106 0.000 1.293 228 T CA -0.858 61.174 62.100 -0.113 0.000 1.108 228 T CB 1.743 70.603 68.868 -0.012 0.000 1.231 228 T HN 0.723 nan 8.240 nan 0.000 0.474 229 R N 1.823 122.351 120.500 0.047 0.000 2.698 229 R HA 0.281 4.621 4.340 -0.000 0.000 0.266 229 R C -0.390 175.974 176.300 0.107 0.000 1.026 229 R CA -0.111 56.076 56.100 0.145 0.000 1.102 229 R CB 0.264 30.610 30.300 0.077 0.000 0.978 229 R HN 0.432 nan 8.270 nan 0.000 0.436 230 V N 5.368 125.349 119.914 0.112 0.000 2.352 230 V HA -0.009 4.111 4.120 -0.000 0.000 0.253 230 V C -0.020 176.124 176.094 0.083 0.000 1.083 230 V CA 0.018 62.389 62.300 0.119 0.000 0.993 230 V CB 0.725 32.612 31.823 0.107 0.000 1.111 230 V HN 0.776 nan 8.190 nan 0.000 0.490 231 Q N 4.093 123.948 119.800 0.092 0.000 2.535 231 Q HA -0.062 4.278 4.340 -0.000 0.000 0.242 231 Q C 1.399 177.378 176.000 -0.035 0.000 1.334 231 Q CA 0.544 56.366 55.803 0.031 0.000 0.890 231 Q CB -0.451 28.313 28.738 0.044 0.000 1.620 231 Q HN 0.563 nan 8.270 nan 0.000 0.532 232 K N 0.989 121.375 120.400 -0.024 0.000 2.147 232 K HA -0.207 4.113 4.320 -0.000 0.000 0.205 232 K C 1.101 177.651 176.600 -0.085 0.000 1.049 232 K CA 1.576 57.832 56.287 -0.052 0.000 0.936 232 K CB 0.283 32.761 32.500 -0.037 0.000 0.722 232 K HN 0.616 nan 8.250 nan 0.000 0.446 233 E N 0.866 121.024 120.200 -0.070 0.000 2.481 233 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 233 E C -0.162 176.385 176.600 -0.088 0.000 1.047 233 E CA 0.218 56.575 56.400 -0.072 0.000 0.867 233 E CB 0.028 29.699 29.700 -0.048 0.000 0.858 233 E HN 0.149 nan 8.360 nan 0.000 0.513 234 R N 1.216 121.633 120.500 -0.138 0.000 2.510 234 R HA 0.614 4.954 4.340 -0.000 0.000 0.294 234 R C -0.495 175.548 176.300 -0.429 0.000 1.056 234 R CA -0.695 55.300 56.100 -0.175 0.000 0.918 234 R CB 1.066 31.307 30.300 -0.098 0.000 1.187 234 R HN 0.204 nan 8.270 nan 0.000 0.437 235 L N -1.588 119.415 121.223 -0.366 0.000 2.639 235 L HA 0.880 5.220 4.340 -0.000 0.000 0.240 235 L C -1.444 175.377 176.870 -0.081 0.000 0.678 235 L CA -0.858 53.630 54.840 -0.586 0.000 1.285 235 L CB 0.382 41.955 42.059 -0.809 0.000 1.617 235 L HN 0.626 nan 8.230 nan 0.000 0.401 236 A N -0.793 122.049 122.820 0.037 0.000 2.547 236 A HA 0.807 5.127 4.320 -0.000 0.000 0.297 236 A C -2.699 174.785 177.584 -0.167 0.000 1.056 236 A CA -0.948 51.106 52.037 0.030 0.000 0.688 236 A CB 1.373 20.415 19.000 0.069 0.000 1.282 236 A HN 0.403 nan 8.150 nan 0.000 0.400 237 P HA -0.103 nan 4.420 nan 0.000 0.217 237 P C 1.378 178.037 177.300 -1.070 0.000 1.150 237 P CA 1.898 63.958 63.100 -1.734 0.000 0.832 237 P CB 0.187 31.417 31.700 -0.783 0.000 0.787 238 S N -0.801 114.636 115.700 -0.439 0.000 2.504 238 S HA -0.195 4.275 4.470 -0.000 0.000 0.257 238 S C 0.767 175.285 174.600 -0.136 0.000 0.986 238 S CA 1.052 59.126 58.200 -0.211 0.000 0.965 238 S CB -0.818 62.324 63.200 -0.097 0.000 0.744 238 S HN 0.350 nan 8.310 nan 0.000 0.523 239 E N -1.053 119.053 120.200 -0.157 0.000 2.738 239 E HA 0.216 4.566 4.350 -0.000 0.000 0.347 239 E C -0.979 175.733 176.600 0.187 0.000 1.077 239 E CA -0.200 56.217 56.400 0.029 0.000 0.755 239 E CB 0.484 30.244 29.700 0.100 0.000 1.576 239 E HN 0.464 nan 8.360 nan 0.000 0.379 240 Y N 0.553 120.874 120.300 0.034 0.000 2.445 240 Y HA 0.315 4.865 4.550 -0.000 0.000 0.247 240 Y C 1.200 177.110 175.900 0.016 0.000 1.129 240 Y CA -0.191 57.922 58.100 0.021 0.000 1.251 240 Y CB 1.428 39.895 38.460 0.011 0.000 1.176 240 Y HN 0.442 nan 8.280 nan 0.000 0.522 241 A N 1.919 124.839 122.820 0.167 0.000 3.202 241 A HA 0.189 4.509 4.320 -0.000 0.000 0.258 241 A C 0.006 177.629 177.584 0.064 0.000 1.572 241 A CA -0.098 51.992 52.037 0.088 0.000 1.241 241 A CB -1.189 17.850 19.000 0.065 0.000 1.127 241 A HN 0.539 nan 8.150 nan 0.000 0.648 242 N N -0.116 118.626 118.700 0.069 0.000 2.542 242 N HA -0.026 4.714 4.740 -0.000 0.000 0.253 242 N C 0.148 175.687 175.510 0.048 0.000 1.461 242 N CA 0.276 53.357 53.050 0.051 0.000 1.115 242 N CB -0.730 37.805 38.487 0.080 0.000 1.439 242 N HN 0.114 nan 8.380 nan 0.000 0.533 243 V N -1.150 118.775 119.914 0.018 0.000 3.041 243 V HA 0.071 4.191 4.120 -0.000 0.000 0.260 243 V C 0.808 176.901 176.094 -0.001 0.000 1.105 243 V CA 0.860 63.159 62.300 -0.002 0.000 1.125 243 V CB -0.677 31.123 31.823 -0.038 0.000 0.730 243 V HN 0.163 nan 8.190 nan 0.000 0.479 244 K N 0.761 121.155 120.400 -0.011 0.000 2.172 244 K HA 0.640 4.960 4.320 -0.000 0.000 0.276 244 K C 1.125 177.703 176.600 -0.036 0.000 1.013 244 K CA 0.238 56.509 56.287 -0.026 0.000 0.913 244 K CB 1.535 34.010 32.500 -0.042 0.000 1.055 244 K HN 0.114 nan 8.250 nan 0.000 0.461 245 A N 2.846 125.655 122.820 -0.017 0.000 2.285 245 A HA -0.262 4.058 4.320 -0.000 0.000 0.214 245 A C 1.485 178.981 177.584 -0.146 0.000 1.188 245 A CA 1.673 53.719 52.037 0.015 0.000 0.707 245 A CB -0.780 18.259 19.000 0.065 0.000 0.771 245 A HN 1.084 nan 8.150 nan 0.000 0.488 246 Q N -2.437 117.198 119.800 -0.275 0.000 1.907 246 Q HA -0.300 4.040 4.340 -0.000 0.000 0.186 246 Q C -0.580 175.138 176.000 -0.470 0.000 2.907 246 Q CA 2.076 57.546 55.803 -0.555 0.000 0.280 246 Q CB -1.562 26.470 28.738 -1.177 0.000 0.444 246 Q HN 0.788 nan 8.270 nan 0.000 0.393 247 F N 2.249 122.210 119.950 0.018 0.000 2.413 247 F HA 0.551 5.078 4.527 -0.000 0.000 0.359 247 F C 0.379 176.178 175.800 -0.001 0.000 1.122 247 F CA -0.768 57.239 58.000 0.011 0.000 1.160 247 F CB 0.524 39.534 39.000 0.016 0.000 1.146 247 F HN -0.022 nan 8.300 nan 0.000 0.514 248 V N 4.043 124.033 119.914 0.127 0.000 3.463 248 V HA 0.467 4.587 4.120 -0.000 0.000 0.302 248 V C -0.282 175.848 176.094 0.060 0.000 1.097 248 V CA -1.151 61.189 62.300 0.067 0.000 1.003 248 V CB 2.108 33.945 31.823 0.024 0.000 1.229 248 V HN 0.751 nan 8.190 nan 0.000 0.444 249 L N 1.897 123.134 121.223 0.024 0.000 2.446 249 L HA 0.632 4.972 4.340 -0.000 0.000 0.268 249 L C -0.758 176.134 176.870 0.037 0.000 0.975 249 L CA -0.246 54.611 54.840 0.028 0.000 0.848 249 L CB 0.897 42.960 42.059 0.007 0.000 1.225 249 L HN 0.638 nan 8.230 nan 0.000 0.410 250 R N 3.381 123.915 120.500 0.057 0.000 2.673 250 R HA 0.542 4.882 4.340 -0.000 0.000 0.281 250 R C 0.761 177.118 176.300 0.094 0.000 0.991 250 R CA -0.177 55.963 56.100 0.067 0.000 0.896 250 R CB 1.952 32.285 30.300 0.055 0.000 1.201 250 R HN 0.753 nan 8.270 nan 0.000 0.457 251 A N 1.720 124.598 122.820 0.097 0.000 1.969 251 A HA -0.330 3.990 4.320 -0.000 0.000 0.223 251 A C 2.048 179.732 177.584 0.166 0.000 1.218 251 A CA 2.807 54.913 52.037 0.115 0.000 0.667 251 A CB -0.945 18.097 19.000 0.071 0.000 0.826 251 A HN 0.917 nan 8.150 nan 0.000 0.472 252 S N 0.891 116.667 115.700 0.127 0.000 2.381 252 S HA -0.320 4.150 4.470 -0.000 0.000 0.230 252 S C 1.596 176.370 174.600 0.290 0.000 1.052 252 S CA 1.897 60.196 58.200 0.164 0.000 1.068 252 S CB -0.715 62.542 63.200 0.096 0.000 0.918 252 S HN 0.868 nan 8.310 nan 0.000 0.448 253 D N 0.708 121.208 120.400 0.166 0.000 2.338 253 D HA 0.046 4.686 4.640 -0.000 0.000 0.208 253 D C 1.769 178.081 176.300 0.020 0.000 0.997 253 D CA 0.139 54.184 54.000 0.074 0.000 0.880 253 D CB -0.349 40.477 40.800 0.044 0.000 0.980 253 D HN 0.406 nan 8.370 nan 0.000 0.509 254 L N 1.957 123.235 121.223 0.092 0.000 2.376 254 L HA -0.076 4.264 4.340 -0.000 0.000 0.219 254 L C 1.719 178.637 176.870 0.081 0.000 1.133 254 L CA 0.713 55.593 54.840 0.067 0.000 0.816 254 L CB -1.154 40.969 42.059 0.108 0.000 0.933 254 L HN 0.328 nan 8.230 nan 0.000 0.449 255 H N -0.185 118.915 119.070 0.049 0.000 4.196 255 H HA 0.007 4.563 4.556 -0.000 0.000 0.236 255 H C 0.166 175.515 175.328 0.035 0.000 1.023 255 H CA 0.791 56.871 56.048 0.052 0.000 1.251 255 H CB -0.974 28.812 29.762 0.040 0.000 1.343 255 H HN 0.579 nan 8.280 nan 0.000 0.815 256 N N -0.492 118.164 118.700 -0.073 0.000 2.039 256 N HA 0.092 4.832 4.740 -0.000 0.000 0.228 256 N C 0.249 175.716 175.510 -0.072 0.000 1.369 256 N CA 0.051 53.042 53.050 -0.098 0.000 0.806 256 N CB -0.040 38.344 38.487 -0.171 0.000 1.190 256 N HN 0.287 nan 8.380 nan 0.000 0.506 257 A N 1.772 124.557 122.820 -0.059 0.000 2.433 257 A HA 0.209 4.529 4.320 -0.000 0.000 0.250 257 A C 1.228 178.749 177.584 -0.105 0.000 1.113 257 A CA 0.172 52.129 52.037 -0.135 0.000 0.794 257 A CB 0.508 19.336 19.000 -0.285 0.000 1.067 257 A HN 0.283 nan 8.150 nan 0.000 0.510 258 K N -0.824 119.484 120.400 -0.154 0.000 2.057 258 K HA 0.292 4.612 4.320 -0.000 0.000 0.197 258 K C 1.224 177.799 176.600 -0.042 0.000 1.055 258 K CA 2.097 58.320 56.287 -0.107 0.000 1.028 258 K CB -0.514 31.905 32.500 -0.135 0.000 1.289 258 K HN 0.828 nan 8.250 nan 0.000 0.462 259 A N -1.087 121.714 122.820 -0.032 0.000 1.857 259 A HA 0.120 4.440 4.320 -0.000 0.000 0.198 259 A C 1.003 178.624 177.584 0.062 0.000 1.775 259 A CA 0.652 52.709 52.037 0.034 0.000 1.281 259 A CB -0.307 18.695 19.000 0.005 0.000 1.355 259 A HN 0.638 nan 8.150 nan 0.000 0.417 260 N N -1.188 117.506 118.700 -0.009 0.000 2.184 260 N HA 0.205 4.945 4.740 -0.000 0.000 0.206 260 N C 0.527 175.996 175.510 -0.069 0.000 1.151 260 N CA -0.154 52.880 53.050 -0.026 0.000 0.878 260 N CB 0.056 38.502 38.487 -0.068 0.000 1.014 260 N HN 0.261 nan 8.380 nan 0.000 0.512 261 M N 1.224 120.748 119.600 -0.127 0.000 2.249 261 M HA 0.193 4.673 4.480 -0.000 0.000 0.340 261 M C -0.848 175.325 176.300 -0.213 0.000 1.166 261 M CA 0.551 55.728 55.300 -0.205 0.000 1.115 261 M CB 0.358 32.791 32.600 -0.278 0.000 1.606 261 M HN 0.070 nan 8.290 nan 0.000 0.448 262 K N 2.311 122.642 120.400 -0.115 0.000 2.443 262 K HA 0.595 4.915 4.320 -0.000 0.000 0.251 262 K C -1.404 175.238 176.600 0.070 0.000 0.972 262 K CA -0.611 55.702 56.287 0.043 0.000 0.833 262 K CB 2.202 34.742 32.500 0.067 0.000 1.317 262 K HN 0.456 nan 8.250 nan 0.000 0.441 263 V N 3.955 123.968 119.914 0.165 0.000 2.385 263 V HA 0.347 4.467 4.120 -0.000 0.000 0.269 263 V C -0.562 175.697 176.094 0.276 0.000 1.043 263 V CA -0.631 61.777 62.300 0.179 0.000 0.906 263 V CB 0.126 32.066 31.823 0.196 0.000 0.995 263 V HN 0.394 nan 8.190 nan 0.000 0.467 264 L N 4.272 125.662 121.223 0.278 0.000 2.323 264 L HA 0.725 5.065 4.340 -0.000 0.000 0.265 264 L C -0.578 176.404 176.870 0.187 0.000 1.012 264 L CA -0.695 54.353 54.840 0.347 0.000 0.820 264 L CB 1.626 43.933 42.059 0.413 0.000 1.334 264 L HN 0.752 nan 8.230 nan 0.000 0.427 265 H N 0.588 119.642 119.070 -0.027 0.000 2.996 265 H HA 0.425 4.981 4.556 -0.000 0.000 0.368 265 H C -2.379 172.808 175.328 -0.235 0.000 1.185 265 H CA -1.179 54.665 56.048 -0.340 0.000 1.160 265 H CB 2.697 32.227 29.762 -0.388 0.000 1.820 265 H HN 0.183 nan 8.280 nan 0.000 0.547 266 P HA -0.066 nan 4.420 nan 0.000 0.217 266 P C -0.507 176.605 177.300 -0.313 0.000 1.150 266 P CA 0.701 63.560 63.100 -0.402 0.000 0.832 266 P CB 0.357 31.816 31.700 -0.402 0.000 0.787 267 L N -2.715 118.188 121.223 -0.532 0.000 0.610 267 L HA -0.064 4.276 4.340 -0.000 0.000 0.357 267 L C -2.423 174.403 176.870 -0.073 0.000 1.004 267 L CA -0.341 54.419 54.840 -0.134 0.000 1.222 267 L CB -1.336 40.715 42.059 -0.012 0.000 0.146 267 L HN 0.066 nan 8.230 nan 0.000 0.122 268 P HA 0.233 nan 4.420 nan 0.000 0.272 268 P C -0.542 176.838 177.300 0.133 0.000 1.240 268 P CA -0.288 62.846 63.100 0.056 0.000 0.791 268 P CB 1.019 32.752 31.700 0.055 0.000 0.978 269 R N 0.680 121.241 120.500 0.102 0.000 2.778 269 R HA 0.516 4.856 4.340 -0.000 0.000 0.277 269 R C -0.530 175.748 176.300 -0.036 0.000 0.977 269 R CA -0.670 55.440 56.100 0.016 0.000 0.950 269 R CB 1.806 31.958 30.300 -0.248 0.000 1.165 269 R HN 0.402 nan 8.270 nan 0.000 0.474 270 V N 1.386 121.255 119.914 -0.075 0.000 4.771 270 V HA 0.206 4.326 4.120 -0.000 0.000 0.148 270 V C 0.104 176.155 176.094 -0.071 0.000 1.138 270 V CA 0.586 62.856 62.300 -0.049 0.000 1.282 270 V CB 0.823 32.635 31.823 -0.018 0.000 1.742 270 V HN 0.776 nan 8.190 nan 0.000 0.563 271 D N -0.937 119.421 120.400 -0.070 0.000 2.423 271 D HA 0.076 4.716 4.640 -0.000 0.000 0.212 271 D C 1.842 178.085 176.300 -0.095 0.000 1.060 271 D CA 0.190 54.152 54.000 -0.063 0.000 0.872 271 D CB 0.342 41.120 40.800 -0.036 0.000 1.012 271 D HN 0.425 nan 8.370 nan 0.000 0.503 272 E N 0.775 120.892 120.200 -0.138 0.000 2.113 272 E HA -0.172 4.178 4.350 -0.000 0.000 0.210 272 E C 0.987 177.453 176.600 -0.225 0.000 1.040 272 E CA 0.929 57.212 56.400 -0.195 0.000 0.847 272 E CB 0.171 29.640 29.700 -0.385 0.000 0.755 272 E HN 0.301 nan 8.360 nan 0.000 0.459 273 I N -0.038 120.347 120.570 -0.309 0.000 2.525 273 I HA 0.332 4.502 4.170 -0.000 0.000 0.301 273 I C 0.178 176.232 176.117 -0.104 0.000 0.992 273 I CA -0.903 60.255 61.300 -0.237 0.000 1.162 273 I CB 1.415 39.144 38.000 -0.451 0.000 1.332 273 I HN -0.156 nan 8.210 nan 0.000 0.458 274 A N 2.991 125.802 122.820 -0.015 0.000 2.301 274 A HA 0.483 4.803 4.320 -0.000 0.000 0.312 274 A C 1.108 178.733 177.584 0.068 0.000 1.182 274 A CA -0.288 51.762 52.037 0.022 0.000 0.826 274 A CB 0.359 19.381 19.000 0.037 0.000 1.134 274 A HN 0.871 nan 8.150 nan 0.000 0.501 275 T N -0.598 113.993 114.554 0.062 0.000 2.946 275 T HA -0.177 4.173 4.350 -0.000 0.000 0.271 275 T C 0.725 175.491 174.700 0.109 0.000 1.104 275 T CA 1.646 63.803 62.100 0.095 0.000 1.114 275 T CB -0.486 68.421 68.868 0.065 0.000 0.867 275 T HN 0.769 nan 8.240 nan 0.000 0.513 276 D N 0.844 121.296 120.400 0.086 0.000 2.328 276 D HA 0.060 4.700 4.640 -0.000 0.000 0.226 276 D C 1.491 177.853 176.300 0.104 0.000 1.066 276 D CA -0.186 53.861 54.000 0.078 0.000 0.861 276 D CB -0.443 40.388 40.800 0.052 0.000 0.912 276 D HN 0.394 nan 8.370 nan 0.000 0.521 277 V N 0.750 120.756 119.914 0.153 0.000 2.878 277 V HA -0.122 3.998 4.120 -0.000 0.000 0.250 277 V C 1.501 177.736 176.094 0.235 0.000 1.075 277 V CA 1.003 63.418 62.300 0.192 0.000 1.096 277 V CB -0.219 31.751 31.823 0.246 0.000 0.724 277 V HN 0.075 nan 8.190 nan 0.000 0.467 278 D N 1.489 122.072 120.400 0.305 0.000 2.191 278 D HA -0.198 4.442 4.640 -0.000 0.000 0.195 278 D C 1.047 177.430 176.300 0.138 0.000 1.003 278 D CA 1.257 55.467 54.000 0.349 0.000 0.867 278 D CB -0.316 40.593 40.800 0.182 0.000 0.926 278 D HN 0.414 nan 8.370 nan 0.000 0.450 279 K N 0.741 121.190 120.400 0.083 0.000 2.333 279 K HA 0.357 4.677 4.320 -0.000 0.000 0.241 279 K C -0.657 175.960 176.600 0.029 0.000 1.193 279 K CA -0.068 56.235 56.287 0.026 0.000 1.142 279 K CB 0.431 32.936 32.500 0.010 0.000 1.731 279 K HN -0.133 nan 8.250 nan 0.000 0.344 280 T N 0.938 115.512 114.554 0.034 0.000 3.193 280 T HA 0.162 4.512 4.350 -0.000 0.000 0.332 280 T C -2.302 172.381 174.700 -0.030 0.000 1.208 280 T CA -1.242 60.857 62.100 -0.001 0.000 1.080 280 T CB 1.775 70.675 68.868 0.053 0.000 1.180 280 T HN 0.114 nan 8.240 nan 0.000 0.469 281 P HA -0.113 nan 4.420 nan 0.000 0.234 281 P C 0.410 177.679 177.300 -0.052 0.000 1.162 281 P CA 1.104 64.127 63.100 -0.129 0.000 0.759 281 P CB 0.211 31.766 31.700 -0.241 0.000 0.813 282 H N -0.200 118.938 119.070 0.113 0.000 2.426 282 H HA 0.294 4.850 4.556 -0.000 0.000 0.286 282 H C 1.033 176.436 175.328 0.126 0.000 0.990 282 H CA -0.037 56.079 56.048 0.113 0.000 1.237 282 H CB -0.764 29.037 29.762 0.066 0.000 1.466 282 H HN 0.027 nan 8.280 nan 0.000 0.525 283 A N 2.476 125.393 122.820 0.161 0.000 2.544 283 A HA -0.149 4.171 4.320 -0.000 0.000 0.286 283 A C 0.666 178.130 177.584 -0.199 0.000 1.274 283 A CA 0.210 52.151 52.037 -0.161 0.000 0.943 283 A CB -1.239 17.673 19.000 -0.148 0.000 1.032 283 A HN 0.673 nan 8.150 nan 0.000 0.560 284 W N 3.941 125.060 121.300 -0.302 0.000 2.998 284 W HA 0.015 4.675 4.660 -0.000 0.000 0.336 284 W C 0.867 177.300 176.519 -0.145 0.000 1.112 284 W CA 0.493 57.762 57.345 -0.126 0.000 1.682 284 W CB -0.011 29.452 29.460 0.006 0.000 1.065 284 W HN 0.984 nan 8.180 nan 0.000 0.570 285 Y N -1.120 119.143 120.300 -0.062 0.000 2.446 285 Y HA -0.227 4.323 4.550 0.000 0.000 0.287 285 Y C 1.611 177.407 175.900 -0.173 0.000 1.159 285 Y CA 0.783 58.821 58.100 -0.103 0.000 1.297 285 Y CB -1.974 36.373 38.460 -0.188 0.000 0.974 285 Y HN -0.224 nan 8.280 nan 0.000 0.557 286 F N 0.748 120.664 119.950 -0.055 0.000 2.051 286 F HA -0.172 4.355 4.527 -0.000 0.000 0.296 286 F C 2.284 178.005 175.800 -0.131 0.000 1.122 286 F CA 1.808 59.759 58.000 -0.082 0.000 1.201 286 F CB -0.987 37.853 39.000 -0.266 0.000 0.978 286 F HN 0.057 nan 8.300 nan 0.000 0.472 287 Q N -0.282 119.400 119.800 -0.197 0.000 2.250 287 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 287 Q C 2.116 178.207 176.000 0.152 0.000 0.941 287 Q CA 0.705 56.424 55.803 -0.140 0.000 0.872 287 Q CB -0.612 27.836 28.738 -0.484 0.000 0.965 287 Q HN 0.443 nan 8.270 nan 0.000 0.480 288 Q N 0.914 120.847 119.800 0.221 0.000 1.978 288 Q HA -0.277 4.063 4.340 -0.000 0.000 0.211 288 Q C 1.681 177.893 176.000 0.352 0.000 1.013 288 Q CA 2.348 58.477 55.803 0.544 0.000 0.869 288 Q CB -0.333 28.749 28.738 0.574 0.000 0.953 288 Q HN 0.400 nan 8.270 nan 0.000 0.415 289 A N 0.039 123.021 122.820 0.270 0.000 2.066 289 A HA 0.050 4.370 4.320 -0.000 0.000 0.218 289 A C 1.635 179.311 177.584 0.153 0.000 1.157 289 A CA 1.054 53.209 52.037 0.197 0.000 0.670 289 A CB -0.515 18.579 19.000 0.158 0.000 0.804 289 A HN 0.537 nan 8.150 nan 0.000 0.453 290 G N -0.281 108.619 108.800 0.168 0.000 3.541 290 G HA2 0.316 4.276 3.960 -0.000 0.000 0.253 290 G HA3 0.316 4.276 3.960 -0.000 0.000 0.253 290 G C 0.210 175.190 174.900 0.133 0.000 1.017 290 G CA -0.080 45.087 45.100 0.111 0.000 1.832 290 G HN 0.608 nan 8.290 nan 0.000 0.649 291 N N -0.289 118.492 118.700 0.135 0.000 2.273 291 N HA 0.079 4.819 4.740 -0.000 0.000 0.192 291 N C 2.379 177.811 175.510 -0.131 0.000 1.132 291 N CA 0.276 53.445 53.050 0.200 0.000 0.887 291 N CB 0.493 39.232 38.487 0.420 0.000 1.048 291 N HN 0.327 nan 8.380 nan 0.000 0.490 292 G N 2.480 111.181 108.800 -0.166 0.000 2.728 292 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.224 292 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.224 292 G C 1.212 175.898 174.900 -0.357 0.000 1.139 292 G CA 1.429 46.360 45.100 -0.280 0.000 0.761 292 G HN 0.241 nan 8.290 nan 0.000 0.621 293 I N -0.102 120.198 120.570 -0.449 0.000 2.104 293 I HA -0.099 4.071 4.170 -0.000 0.000 0.218 293 I C 2.480 178.375 176.117 -0.370 0.000 1.048 293 I CA 1.513 62.517 61.300 -0.494 0.000 1.344 293 I CB -1.030 36.489 38.000 -0.802 0.000 1.116 293 I HN 0.118 nan 8.210 nan 0.000 0.392 294 F N 1.472 121.394 119.950 -0.047 0.000 2.141 294 F HA -0.254 4.273 4.527 0.000 0.000 0.300 294 F C 2.242 177.843 175.800 -0.331 0.000 1.079 294 F CA 0.978 58.927 58.000 -0.085 0.000 1.264 294 F CB -1.798 37.291 39.000 0.147 0.000 1.011 294 F HN 0.167 nan 8.300 nan 0.000 0.487 295 A N 0.705 123.368 122.820 -0.260 0.000 3.707 295 A HA 0.037 4.357 4.320 -0.000 0.000 0.150 295 A C 2.102 179.520 177.584 -0.276 0.000 1.404 295 A CA 0.857 52.674 52.037 -0.367 0.000 0.977 295 A CB -0.931 17.908 19.000 -0.269 0.000 1.174 295 A HN 0.247 nan 8.150 nan 0.000 0.547 296 R N -0.918 119.400 120.500 -0.302 0.000 2.459 296 R HA -0.386 3.954 4.340 -0.000 0.000 0.216 296 R C 2.263 178.435 176.300 -0.213 0.000 0.939 296 R CA 2.665 58.551 56.100 -0.357 0.000 0.742 296 R CB -1.211 28.639 30.300 -0.750 0.000 0.901 296 R HN 0.787 nan 8.270 nan 0.000 0.382 297 Q N -0.730 118.954 119.800 -0.194 0.000 2.156 297 Q HA -0.259 4.080 4.340 -0.000 0.000 0.211 297 Q C 2.290 178.254 176.000 -0.059 0.000 0.995 297 Q CA 2.018 57.762 55.803 -0.098 0.000 0.877 297 Q CB -0.307 28.384 28.738 -0.078 0.000 0.920 297 Q HN 0.586 nan 8.270 nan 0.000 0.416 298 A N 0.594 123.362 122.820 -0.087 0.000 1.908 298 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 298 A C 1.995 179.564 177.584 -0.025 0.000 1.181 298 A CA 1.553 53.553 52.037 -0.062 0.000 0.627 298 A CB -0.499 18.431 19.000 -0.116 0.000 0.818 298 A HN 0.421 nan 8.150 nan 0.000 0.445 299 L N -0.964 120.245 121.223 -0.024 0.000 2.354 299 L HA 0.166 4.506 4.340 -0.000 0.000 0.212 299 L C 2.079 178.987 176.870 0.064 0.000 1.091 299 L CA 0.536 55.393 54.840 0.028 0.000 0.828 299 L CB -0.117 41.966 42.059 0.039 0.000 0.973 299 L HN 0.356 nan 8.230 nan 0.000 0.461 300 L N 0.041 121.295 121.223 0.051 0.000 2.043 300 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 300 L C 2.724 179.646 176.870 0.086 0.000 1.075 300 L CA 1.316 56.211 54.840 0.091 0.000 0.752 300 L CB -1.193 40.906 42.059 0.066 0.000 0.891 300 L HN 0.405 nan 8.230 nan 0.000 0.432 301 A N 0.586 123.442 122.820 0.059 0.000 1.821 301 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 301 A C 2.205 179.841 177.584 0.087 0.000 1.214 301 A CA 1.212 53.286 52.037 0.061 0.000 0.608 301 A CB -1.007 18.012 19.000 0.032 0.000 0.862 301 A HN 0.287 nan 8.150 nan 0.000 0.448 302 L N -0.093 121.171 121.223 0.069 0.000 2.171 302 L HA -0.236 4.104 4.340 -0.000 0.000 0.216 302 L C 1.804 178.809 176.870 0.225 0.000 1.084 302 L CA 1.221 56.111 54.840 0.083 0.000 0.771 302 L CB -0.470 41.625 42.059 0.061 0.000 0.890 302 L HN 0.289 nan 8.230 nan 0.000 0.437 303 V N -0.318 119.737 119.914 0.236 0.000 3.563 303 V HA -0.006 4.114 4.120 -0.000 0.000 0.299 303 V C 1.152 177.418 176.094 0.287 0.000 1.290 303 V CA 0.621 63.090 62.300 0.281 0.000 1.201 303 V CB -0.186 31.712 31.823 0.124 0.000 1.045 303 V HN 0.374 nan 8.190 nan 0.000 0.425 304 L N -0.442 121.034 121.223 0.422 0.000 3.635 304 L HA 0.404 4.744 4.340 -0.000 0.000 0.338 304 L C -0.321 176.797 176.870 0.413 0.000 1.275 304 L CA 0.041 55.111 54.840 0.384 0.000 1.092 304 L CB 0.514 42.681 42.059 0.179 0.000 1.465 304 L HN 0.319 nan 8.230 nan 0.000 0.625 305 N N 0.456 119.326 118.700 0.284 0.000 2.262 305 N HA 0.398 5.138 4.740 -0.000 0.000 0.295 305 N C 0.083 175.218 175.510 -0.625 0.000 1.161 305 N CA -0.696 52.310 53.050 -0.072 0.000 0.767 305 N CB 2.061 40.513 38.487 -0.059 0.000 1.499 305 N HN 0.076 nan 8.380 nan 0.000 0.476 306 R N 0.292 120.568 120.500 -0.373 0.000 1.167 306 R HA 0.143 4.483 4.340 -0.000 0.000 0.087 306 R C 0.077 176.169 176.300 -0.348 0.000 0.646 306 R CA 0.339 56.188 56.100 -0.417 0.000 1.985 306 R CB -0.379 29.839 30.300 -0.136 0.000 0.553 306 R HN 0.432 nan 8.270 nan 0.000 0.746 307 D N 1.926 122.221 120.400 -0.175 0.000 2.563 307 D HA 0.124 4.764 4.640 -0.000 0.000 0.222 307 D C -0.786 175.461 176.300 -0.090 0.000 1.145 307 D CA -0.348 53.581 54.000 -0.117 0.000 1.001 307 D CB 0.303 41.061 40.800 -0.069 0.000 1.049 307 D HN 0.293 nan 8.370 nan 0.000 0.515 308 L N 0.829 121.990 121.223 -0.104 0.000 2.334 308 L HA 0.702 5.042 4.340 -0.000 0.000 0.276 308 L C -0.988 175.854 176.870 -0.047 0.000 1.014 308 L CA -0.974 53.826 54.840 -0.066 0.000 0.815 308 L CB 0.802 42.821 42.059 -0.067 0.000 1.268 308 L HN -0.172 nan 8.230 nan 0.000 0.428 309 V N 3.403 123.300 119.914 -0.027 0.000 2.914 309 V HA 0.752 4.872 4.120 -0.000 0.000 0.314 309 V C -0.118 175.973 176.094 -0.006 0.000 1.084 309 V CA -0.419 61.872 62.300 -0.016 0.000 0.963 309 V CB 1.890 33.706 31.823 -0.012 0.000 1.025 309 V HN 0.820 nan 8.190 nan 0.000 0.432 310 L N 0.000 121.223 121.223 0.001 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.845 54.840 0.008 0.000 0.813 310 L CB 0.000 42.066 42.059 0.012 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502