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 3ofl_1_L DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAG 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.633 177.584 0.081 0.000 1.274 20 A CA 0.000 52.061 52.037 0.041 0.000 0.836 20 A CB 0.000 19.028 19.000 0.046 0.000 0.831 21 V N 1.819 121.737 119.914 0.006 0.000 2.732 21 V HA 0.578 4.698 4.120 0.000 0.000 0.297 21 V C 0.240 176.268 176.094 -0.111 0.000 1.060 21 V CA -0.278 62.024 62.300 0.003 0.000 1.038 21 V CB 1.441 33.158 31.823 -0.177 0.000 1.003 21 V HN 0.828 nan 8.190 nan 0.000 0.481 22 V N 2.674 122.613 119.914 0.043 0.000 2.823 22 V HA 0.395 4.515 4.120 0.000 0.000 0.312 22 V C 0.072 176.185 176.094 0.031 0.000 1.072 22 V CA -1.089 61.175 62.300 -0.059 0.000 0.937 22 V CB 2.003 33.805 31.823 -0.035 0.000 1.013 22 V HN 0.851 nan 8.190 nan 0.000 0.430 23 N N 2.235 120.951 118.700 0.026 0.000 2.440 23 N HA -0.030 4.710 4.740 0.000 0.000 0.265 23 N C 1.578 177.108 175.510 0.034 0.000 1.239 23 N CA 0.850 53.986 53.050 0.144 0.000 0.909 23 N CB 1.645 40.228 38.487 0.160 0.000 1.066 23 N HN 1.041 nan 8.380 nan 0.000 0.474 24 T N 0.352 114.895 114.554 -0.019 0.000 2.792 24 T HA -0.204 4.146 4.350 0.000 0.000 0.268 24 T C 0.833 175.272 174.700 -0.434 0.000 1.059 24 T CA 1.323 63.155 62.100 -0.446 0.000 1.136 24 T CB -0.037 68.712 68.868 -0.198 0.000 0.846 24 T HN 0.456 nan 8.240 nan 0.000 0.489 25 D N 1.352 121.653 120.400 -0.165 0.000 2.392 25 D HA -0.030 4.610 4.640 0.000 0.000 0.228 25 D C 1.084 177.339 176.300 -0.075 0.000 1.003 25 D CA 0.737 54.675 54.000 -0.103 0.000 0.917 25 D CB -0.178 40.605 40.800 -0.028 0.000 0.890 25 D HN 0.514 nan 8.370 nan 0.000 0.532 26 D N -0.935 119.418 120.400 -0.078 0.000 2.366 26 D HA -0.024 4.616 4.640 0.000 0.000 0.205 26 D C 1.083 177.441 176.300 0.096 0.000 1.022 26 D CA 0.354 54.368 54.000 0.023 0.000 0.868 26 D CB 0.221 41.060 40.800 0.066 0.000 0.953 26 D HN 0.475 nan 8.370 nan 0.000 0.514 27 Y N -2.329 117.977 120.300 0.010 0.000 2.717 27 Y HA 0.503 5.054 4.550 0.000 0.000 0.250 27 Y C -0.372 175.573 175.900 0.074 0.000 1.149 27 Y CA -0.533 57.581 58.100 0.023 0.000 1.211 27 Y CB 0.310 38.763 38.460 -0.013 0.000 1.289 27 Y HN -0.318 nan 8.280 nan 0.000 0.552 28 V N 2.286 122.130 119.914 -0.116 0.000 2.320 28 V HA 0.247 4.367 4.120 0.000 0.000 0.268 28 V C -0.124 175.933 176.094 -0.062 0.000 1.021 28 V CA -0.586 61.671 62.300 -0.071 0.000 0.813 28 V CB 0.830 32.540 31.823 -0.188 0.000 1.054 28 V HN 0.384 nan 8.190 nan 0.000 0.444 29 T N 4.836 119.379 114.554 -0.018 0.000 2.888 29 T HA 0.328 4.678 4.350 0.000 0.000 0.301 29 T C 0.361 175.035 174.700 -0.043 0.000 1.001 29 T CA -0.067 62.020 62.100 -0.021 0.000 1.147 29 T CB 0.464 69.331 68.868 -0.003 0.000 0.931 29 T HN 0.487 nan 8.240 nan 0.000 0.541 30 R N 1.647 122.123 120.500 -0.039 0.000 2.457 30 R HA 0.517 4.857 4.340 0.000 0.000 0.284 30 R C 1.169 177.435 176.300 -0.057 0.000 1.024 30 R CA -0.682 55.384 56.100 -0.056 0.000 1.025 30 R CB 0.936 31.215 30.300 -0.035 0.000 1.063 30 R HN 0.809 nan 8.270 nan 0.000 0.493 31 T N -2.216 112.278 114.554 -0.099 0.000 2.920 31 T HA 0.193 4.543 4.350 0.000 0.000 0.292 31 T C 0.910 175.528 174.700 -0.137 0.000 1.093 31 T CA -0.467 61.580 62.100 -0.088 0.000 0.944 31 T CB 0.988 69.805 68.868 -0.085 0.000 1.605 31 T HN 0.527 nan 8.240 nan 0.000 0.590 32 S N -1.130 114.511 115.700 -0.097 0.000 2.663 32 S HA 0.346 4.816 4.470 0.000 0.000 0.243 32 S C -0.210 174.342 174.600 -0.080 0.000 1.009 32 S CA -0.597 57.574 58.200 -0.049 0.000 0.988 32 S CB -0.580 62.680 63.200 0.100 0.000 0.896 32 S HN 0.484 nan 8.310 nan 0.000 0.502 33 I N 2.919 123.389 120.570 -0.166 0.000 2.312 33 I HA 0.460 4.630 4.170 0.000 0.000 0.291 33 I C -0.762 175.322 176.117 -0.054 0.000 1.031 33 I CA -0.474 60.841 61.300 0.025 0.000 1.293 33 I CB -0.123 37.983 38.000 0.177 0.000 1.403 33 I HN 0.153 nan 8.210 nan 0.000 0.484 34 F N 5.825 125.935 119.950 0.267 0.000 2.522 34 F HA 0.605 5.132 4.527 0.000 0.000 0.324 34 F C -0.316 175.644 175.800 0.267 0.000 1.077 34 F CA -0.640 57.511 58.000 0.251 0.000 0.944 34 F CB 1.291 40.331 39.000 0.067 0.000 1.175 34 F HN 0.199 nan 8.300 nan 0.000 0.468 35 Y N 0.292 120.715 120.300 0.205 0.000 2.602 35 Y HA 0.426 4.976 4.550 0.000 0.000 0.342 35 Y C -0.465 175.365 175.900 -0.117 0.000 1.029 35 Y CA -1.108 57.044 58.100 0.086 0.000 1.080 35 Y CB 1.612 40.144 38.460 0.121 0.000 1.284 35 Y HN 0.493 nan 8.280 nan 0.000 0.485 36 H N 0.991 119.965 119.070 -0.159 0.000 2.600 36 H HA 0.853 5.409 4.556 0.000 0.000 0.357 36 H C -1.868 173.127 175.328 -0.555 0.000 1.106 36 H CA -0.704 55.118 56.048 -0.376 0.000 1.193 36 H CB 1.574 31.091 29.762 -0.408 0.000 1.594 36 H HN 0.824 nan 8.280 nan 0.000 0.526 37 A N 2.871 125.138 122.820 -0.921 0.000 2.475 37 A HA 0.746 5.066 4.320 0.000 0.000 0.301 37 A C -0.792 176.489 177.584 -0.504 0.000 1.059 37 A CA -0.175 51.490 52.037 -0.620 0.000 0.710 37 A CB 1.905 20.412 19.000 -0.821 0.000 1.288 37 A HN 0.888 nan 8.150 nan 0.000 0.408 38 G N 0.272 108.967 108.800 -0.175 0.000 2.759 38 G HA2 0.615 4.575 3.960 0.000 0.000 0.297 38 G HA3 0.615 4.575 3.960 0.000 0.000 0.297 38 G C -0.240 174.658 174.900 -0.003 0.000 1.434 38 G CA 0.259 45.311 45.100 -0.080 0.000 0.980 38 G HN 1.589 nan 8.290 nan 0.000 0.531 39 S N 0.513 116.199 115.700 -0.023 0.000 2.608 39 S HA 0.538 5.008 4.470 0.000 0.000 0.261 39 S C 1.613 176.208 174.600 -0.007 0.000 1.314 39 S CA 0.527 58.711 58.200 -0.026 0.000 0.992 39 S CB 1.176 64.311 63.200 -0.108 0.000 0.935 39 S HN 1.527 nan 8.310 nan 0.000 0.564 40 S N 0.968 116.677 115.700 0.014 0.000 2.211 40 S HA 0.131 4.601 4.470 0.000 0.000 0.158 40 S C 0.592 175.197 174.600 0.009 0.000 1.361 40 S CA -0.121 58.099 58.200 0.032 0.000 2.285 40 S CB -0.461 62.771 63.200 0.053 0.000 0.432 40 S HN 0.948 nan 8.310 nan 0.000 0.351 41 R N 0.467 120.983 120.500 0.025 0.000 2.521 41 R HA 0.450 4.790 4.340 0.000 0.000 0.295 41 R C -1.595 174.743 176.300 0.064 0.000 1.183 41 R CA -0.441 55.670 56.100 0.019 0.000 0.957 41 R CB 0.360 30.675 30.300 0.026 0.000 1.171 41 R HN 0.535 nan 8.270 nan 0.000 0.494 42 L N 4.859 126.105 121.223 0.039 0.000 2.410 42 L HA 0.352 4.692 4.340 0.000 0.000 0.273 42 L C -0.341 176.685 176.870 0.259 0.000 1.152 42 L CA -0.298 54.637 54.840 0.158 0.000 0.855 42 L CB 0.690 42.650 42.059 -0.165 0.000 1.129 42 L HN 0.481 nan 8.230 nan 0.000 0.463 43 L N 2.886 124.344 121.223 0.391 0.000 2.465 43 L HA 0.798 5.138 4.340 0.000 0.000 0.257 43 L C -0.693 176.364 176.870 0.311 0.000 0.988 43 L CA 0.082 55.100 54.840 0.297 0.000 0.827 43 L CB 2.646 44.797 42.059 0.154 0.000 1.397 43 L HN 0.619 nan 8.230 nan 0.000 0.410 44 T N 2.338 117.020 114.554 0.214 0.000 3.128 44 T HA 0.638 4.988 4.350 0.000 0.000 0.363 44 T C -1.766 172.955 174.700 0.036 0.000 1.610 44 T CA 0.127 62.291 62.100 0.106 0.000 1.126 44 T CB 0.746 69.665 68.868 0.086 0.000 1.416 44 T HN 1.292 nan 8.240 nan 0.000 0.480 45 V N 1.334 121.245 119.914 -0.005 0.000 3.074 45 V HA 1.131 5.251 4.120 0.000 0.000 0.314 45 V C 0.267 176.344 176.094 -0.029 0.000 1.117 45 V CA 0.149 62.432 62.300 -0.029 0.000 1.014 45 V CB 1.331 33.139 31.823 -0.024 0.000 1.057 45 V HN 1.593 nan 8.190 nan 0.000 0.438 46 G N 0.571 109.354 108.800 -0.028 0.000 2.321 46 G HA2 0.300 4.260 3.960 0.000 0.000 0.296 46 G HA3 0.300 4.260 3.960 0.000 0.000 0.296 46 G C -1.955 172.911 174.900 -0.055 0.000 1.287 46 G CA -0.229 44.851 45.100 -0.034 0.000 0.846 46 G HN 0.975 nan 8.290 nan 0.000 0.508 47 D N 0.553 120.891 120.400 -0.104 0.000 2.350 47 D HA 0.318 4.958 4.640 0.000 0.000 0.249 47 D C -1.271 174.880 176.300 -0.248 0.000 1.119 47 D CA -1.550 52.309 54.000 -0.235 0.000 0.886 47 D CB 2.303 42.893 40.800 -0.350 0.000 1.195 47 D HN 0.057 nan 8.370 nan 0.000 0.437 48 P HA -0.027 nan 4.420 nan 0.000 0.245 48 P C 0.537 177.723 177.300 -0.189 0.000 1.206 48 P CA 0.670 63.585 63.100 -0.308 0.000 0.781 48 P CB 0.115 31.535 31.700 -0.468 0.000 0.994 49 Y N -0.391 119.774 120.300 -0.225 0.000 2.535 49 Y HA 0.263 4.814 4.550 0.000 0.000 0.264 49 Y C 0.857 176.743 175.900 -0.023 0.000 1.087 49 Y CA -0.742 57.273 58.100 -0.141 0.000 1.285 49 Y CB 0.453 38.826 38.460 -0.146 0.000 1.200 49 Y HN -0.173 nan 8.280 nan 0.000 0.514 50 F N -0.892 119.163 119.950 0.174 0.000 2.746 50 F HA 0.441 4.968 4.527 0.000 0.000 0.311 50 F C -1.073 174.773 175.800 0.076 0.000 1.135 50 F CA -2.229 55.837 58.000 0.111 0.000 0.954 50 F CB 0.616 39.673 39.000 0.095 0.000 1.276 50 F HN -0.188 nan 8.300 nan 0.000 0.440 51 R N 1.092 121.761 120.500 0.281 0.000 2.438 51 R HA 0.695 5.035 4.340 0.000 0.000 0.287 51 R C -1.482 174.988 176.300 0.283 0.000 1.077 51 R CA -0.691 55.518 56.100 0.183 0.000 1.034 51 R CB 1.161 31.530 30.300 0.116 0.000 0.993 51 R HN 0.540 nan 8.270 nan 0.000 0.459 52 V N 5.090 125.125 119.914 0.202 0.000 2.385 52 V HA 0.229 4.349 4.120 0.000 0.000 0.269 52 V C -1.934 174.238 176.094 0.130 0.000 1.043 52 V CA -2.200 60.232 62.300 0.219 0.000 0.906 52 V CB 1.006 32.942 31.823 0.189 0.000 0.995 52 V HN 0.806 nan 8.190 nan 0.000 0.467 53 P HA 0.065 nan 4.420 nan 0.000 0.258 53 P C 0.283 177.618 177.300 0.059 0.000 1.187 53 P CA 0.410 63.552 63.100 0.070 0.000 0.767 53 P CB 0.302 32.035 31.700 0.055 0.000 0.770 54 A N 4.472 127.318 122.820 0.044 0.000 2.615 54 A HA 0.301 4.621 4.320 0.000 0.000 0.230 54 A C 1.891 179.494 177.584 0.032 0.000 1.062 54 A CA 0.781 52.838 52.037 0.033 0.000 0.758 54 A CB -1.103 17.910 19.000 0.021 0.000 0.995 54 A HN 0.881 nan 8.150 nan 0.000 0.511 55 G N 0.668 109.484 108.800 0.027 0.000 2.249 55 G HA2 -0.251 3.709 3.960 0.000 0.000 0.269 55 G HA3 -0.251 3.709 3.960 0.000 0.000 0.269 55 G C 1.583 176.501 174.900 0.030 0.000 0.979 55 G CA 1.590 46.705 45.100 0.025 0.000 0.644 55 G HN 2.083 nan 8.290 nan 0.000 0.546 56 G N -0.158 108.665 108.800 0.040 0.000 2.475 56 G HA2 0.224 4.184 3.960 0.000 0.000 0.220 56 G HA3 0.224 4.184 3.960 0.000 0.000 0.220 56 G C 1.439 176.366 174.900 0.046 0.000 1.125 56 G CA 1.978 47.104 45.100 0.042 0.000 0.755 56 G HN 1.643 nan 8.290 nan 0.000 0.565 57 G N -0.703 108.129 108.800 0.054 0.000 2.535 57 G HA2 0.236 4.196 3.960 0.000 0.000 0.191 57 G HA3 0.236 4.196 3.960 0.000 0.000 0.191 57 G C 0.106 175.029 174.900 0.038 0.000 1.242 57 G CA 0.485 45.619 45.100 0.057 0.000 0.797 57 G HN 0.627 nan 8.290 nan 0.000 0.863 58 N N 0.125 118.844 118.700 0.032 0.000 2.504 58 N HA 0.164 4.904 4.740 0.000 0.000 0.268 58 N C -1.059 174.458 175.510 0.011 0.000 1.184 58 N CA -0.695 52.363 53.050 0.013 0.000 0.875 58 N CB 1.893 40.378 38.487 -0.004 0.000 1.630 58 N HN 0.054 nan 8.380 nan 0.000 0.486 59 K N 1.165 121.567 120.400 0.004 0.000 2.561 59 K HA -0.130 4.190 4.320 0.000 0.000 0.280 59 K C -0.309 176.292 176.600 0.002 0.000 0.975 59 K CA 0.523 56.812 56.287 0.003 0.000 1.024 59 K CB 0.196 32.696 32.500 -0.001 0.000 0.883 59 K HN 0.736 nan 8.250 nan 0.000 0.496 60 Q N 1.577 121.380 119.800 0.004 0.000 3.166 60 Q HA -0.168 4.172 4.340 0.000 0.000 0.025 60 Q C -1.628 174.377 176.000 0.008 0.000 1.692 60 Q CA 1.464 57.268 55.803 0.002 0.000 0.233 60 Q CB -0.206 28.529 28.738 -0.005 0.000 1.400 60 Q HN 0.821 nan 8.270 nan 0.000 0.320 61 D N 1.997 122.400 120.400 0.006 0.000 2.264 61 D HA 0.353 4.993 4.640 0.000 0.000 0.249 61 D C 0.200 176.505 176.300 0.008 0.000 1.070 61 D CA -0.162 53.847 54.000 0.015 0.000 0.912 61 D CB 0.513 41.320 40.800 0.012 0.000 1.193 61 D HN 0.372 nan 8.370 nan 0.000 0.427 62 I N 2.805 123.388 120.570 0.021 0.000 2.347 62 I HA 0.225 4.395 4.170 0.000 0.000 0.283 62 I C -2.289 173.832 176.117 0.006 0.000 1.058 62 I CA -2.451 58.853 61.300 0.007 0.000 1.202 62 I CB 0.233 38.242 38.000 0.014 0.000 1.386 62 I HN -0.132 nan 8.210 nan 0.000 0.475 63 P HA -0.027 nan 4.420 nan 0.000 0.267 63 P C -0.028 177.269 177.300 -0.005 0.000 1.201 63 P CA -0.086 63.006 63.100 -0.012 0.000 0.775 63 P CB 0.686 32.360 31.700 -0.043 0.000 0.854 64 K N 2.569 122.979 120.400 0.016 0.000 2.292 64 K HA 0.277 4.597 4.320 0.000 0.000 0.290 64 K C -1.287 175.339 176.600 0.044 0.000 1.083 64 K CA -0.315 55.988 56.287 0.027 0.000 0.918 64 K CB -0.045 32.499 32.500 0.074 0.000 1.089 64 K HN 0.158 nan 8.250 nan 0.000 0.473 65 V N 3.525 123.467 119.914 0.045 0.000 2.376 65 V HA 0.263 4.383 4.120 0.000 0.000 0.287 65 V C -0.381 175.835 176.094 0.204 0.000 1.015 65 V CA -0.691 61.667 62.300 0.097 0.000 0.834 65 V CB 1.202 33.053 31.823 0.048 0.000 1.001 65 V HN 0.795 nan 8.190 nan 0.000 0.428 66 S N 3.234 119.083 115.700 0.249 0.000 2.634 66 S HA 0.783 5.253 4.470 0.000 0.000 0.296 66 S C 1.013 175.799 174.600 0.311 0.000 1.104 66 S CA 0.236 58.625 58.200 0.315 0.000 0.920 66 S CB 2.194 65.564 63.200 0.283 0.000 1.111 66 S HN 0.884 nan 8.310 nan 0.000 0.493 67 A N 1.550 124.478 122.820 0.179 0.000 2.072 67 A HA 0.235 4.555 4.320 0.000 0.000 0.216 67 A C 0.160 177.603 177.584 -0.234 0.000 1.156 67 A CA 0.658 52.688 52.037 -0.011 0.000 0.701 67 A CB -0.462 18.361 19.000 -0.295 0.000 0.816 67 A HN 0.784 nan 8.150 nan 0.000 0.458 68 Y N 1.377 121.770 120.300 0.155 0.000 2.880 68 Y HA 0.375 4.925 4.550 0.000 0.000 0.386 68 Y C 0.320 176.254 175.900 0.057 0.000 1.172 68 Y CA -0.330 57.824 58.100 0.090 0.000 1.770 68 Y CB -0.254 38.257 38.460 0.084 0.000 1.809 68 Y HN 0.521 nan 8.280 nan 0.000 0.472 69 Q N -1.668 118.201 119.800 0.115 0.000 2.353 69 Q HA 0.395 4.735 4.340 0.000 0.000 0.275 69 Q C -1.570 174.478 176.000 0.080 0.000 1.029 69 Q CA -1.265 54.614 55.803 0.126 0.000 0.848 69 Q CB 1.354 30.197 28.738 0.175 0.000 1.390 69 Q HN 0.218 nan 8.270 nan 0.000 0.401 70 Y N 0.911 121.262 120.300 0.085 0.000 2.578 70 Y HA 0.145 4.695 4.550 0.000 0.000 0.339 70 Y C 0.486 176.379 175.900 -0.012 0.000 1.231 70 Y CA 0.108 58.236 58.100 0.046 0.000 1.461 70 Y CB 0.663 39.143 38.460 0.033 0.000 1.323 70 Y HN 0.294 nan 8.280 nan 0.000 0.590 71 R N 2.238 122.771 120.500 0.054 0.000 2.360 71 R HA 0.471 4.811 4.340 0.000 0.000 0.318 71 R C -1.715 174.366 176.300 -0.364 0.000 0.950 71 R CA -0.746 55.194 56.100 -0.267 0.000 0.837 71 R CB 1.442 31.429 30.300 -0.521 0.000 1.165 71 R HN 0.423 nan 8.270 nan 0.000 0.458 72 V N 5.506 125.229 119.914 -0.318 0.000 2.326 72 V HA 0.419 4.539 4.120 0.000 0.000 0.281 72 V C -0.444 175.504 176.094 -0.244 0.000 1.015 72 V CA -0.712 61.492 62.300 -0.160 0.000 0.823 72 V CB 0.871 32.784 31.823 0.151 0.000 1.009 72 V HN 0.482 nan 8.190 nan 0.000 0.436 73 F N 3.274 123.198 119.950 -0.043 0.000 2.404 73 F HA 0.583 5.110 4.527 0.000 0.000 0.339 73 F C 0.733 176.367 175.800 -0.276 0.000 1.105 73 F CA -0.607 57.319 58.000 -0.123 0.000 1.087 73 F CB 1.269 40.127 39.000 -0.237 0.000 1.143 73 F HN 0.311 nan 8.300 nan 0.000 0.491 74 R N 3.224 123.629 120.500 -0.158 0.000 2.346 74 R HA 0.466 4.806 4.340 0.000 0.000 0.309 74 R C -1.585 174.506 176.300 -0.349 0.000 1.119 74 R CA -0.389 55.346 56.100 -0.609 0.000 1.112 74 R CB 0.554 30.483 30.300 -0.618 0.000 1.132 74 R HN 0.586 nan 8.270 nan 0.000 0.538 75 V N 4.230 123.935 119.914 -0.347 0.000 2.479 75 V HA 0.026 4.146 4.120 0.000 0.000 0.281 75 V C 0.232 176.172 176.094 -0.256 0.000 1.031 75 V CA -0.012 62.136 62.300 -0.253 0.000 1.038 75 V CB 1.154 32.783 31.823 -0.323 0.000 0.981 75 V HN 0.638 nan 8.190 nan 0.000 0.478 76 Q N 5.039 124.737 119.800 -0.169 0.000 2.368 76 Q HA 0.535 4.875 4.340 0.000 0.000 0.256 76 Q C -0.882 175.024 176.000 -0.157 0.000 0.980 76 Q CA -0.060 55.662 55.803 -0.136 0.000 0.887 76 Q CB 1.082 29.777 28.738 -0.071 0.000 1.221 76 Q HN 0.703 nan 8.270 nan 0.000 0.458 77 L N 5.518 126.614 121.223 -0.211 0.000 2.416 77 L HA 0.671 5.011 4.340 0.000 0.000 0.262 77 L C -1.902 174.785 176.870 -0.305 0.000 1.093 77 L CA -2.265 52.370 54.840 -0.343 0.000 0.801 77 L CB 1.057 42.814 42.059 -0.503 0.000 1.191 77 L HN 0.582 nan 8.230 nan 0.000 0.459 78 P HA 0.022 nan 4.420 nan 0.000 0.278 78 P C -1.124 176.024 177.300 -0.254 0.000 1.238 78 P CA -0.396 62.453 63.100 -0.418 0.000 0.794 78 P CB 0.971 32.212 31.700 -0.765 0.000 0.955 79 D N 4.201 124.501 120.400 -0.166 0.000 2.382 79 D HA 0.003 4.643 4.640 0.000 0.000 0.259 79 D C -0.983 175.179 176.300 -0.231 0.000 1.224 79 D CA -1.761 52.158 54.000 -0.136 0.000 0.894 79 D CB 0.711 41.487 40.800 -0.041 0.000 1.127 79 D HN 0.229 nan 8.370 nan 0.000 0.487 80 P HA -0.159 nan 4.420 nan 0.000 0.219 80 P C 0.778 177.875 177.300 -0.338 0.000 1.146 80 P CA 0.826 63.516 63.100 -0.683 0.000 0.808 80 P CB 0.573 31.474 31.700 -1.332 0.000 0.779 81 N N 1.103 119.654 118.700 -0.248 0.000 2.092 81 N HA -0.067 4.673 4.740 0.000 0.000 0.189 81 N C 1.278 176.785 175.510 -0.006 0.000 1.040 81 N CA 1.112 54.082 53.050 -0.133 0.000 0.845 81 N CB -0.471 37.950 38.487 -0.110 0.000 1.017 81 N HN 0.307 nan 8.380 nan 0.000 0.426 82 K N 0.225 120.637 120.400 0.020 0.000 2.665 82 K HA 0.077 4.397 4.320 0.000 0.000 0.214 82 K C -0.451 176.230 176.600 0.134 0.000 1.032 82 K CA -0.139 56.185 56.287 0.061 0.000 1.198 82 K CB -0.267 32.264 32.500 0.052 0.000 0.941 82 K HN 0.040 nan 8.250 nan 0.000 0.491 83 F N 0.741 120.646 119.950 -0.074 0.000 2.469 83 F HA 0.428 4.955 4.527 0.000 0.000 0.332 83 F C 0.492 176.281 175.800 -0.018 0.000 1.103 83 F CA -1.418 56.548 58.000 -0.057 0.000 0.979 83 F CB 1.213 40.148 39.000 -0.109 0.000 1.137 83 F HN 0.005 nan 8.300 nan 0.000 0.463 84 G N 6.712 115.199 108.800 -0.521 0.000 2.343 84 G HA2 0.391 4.351 3.960 0.000 0.000 0.254 84 G HA3 0.391 4.351 3.960 0.000 0.000 0.254 84 G C -0.741 173.841 174.900 -0.530 0.000 1.277 84 G CA -0.431 44.414 45.100 -0.425 0.000 0.909 84 G HN 0.695 nan 8.290 nan 0.000 0.502 85 L N 4.087 125.196 121.223 -0.190 0.000 2.375 85 L HA 0.356 4.696 4.340 0.000 0.000 0.268 85 L C -0.742 176.134 176.870 0.010 0.000 1.058 85 L CA -1.978 52.838 54.840 -0.040 0.000 0.803 85 L CB 2.176 44.252 42.059 0.028 0.000 1.212 85 L HN 0.404 nan 8.230 nan 0.000 0.451 86 P HA -0.097 nan 4.420 nan 0.000 0.231 86 P C -0.553 176.774 177.300 0.044 0.000 1.158 86 P CA 1.050 64.187 63.100 0.062 0.000 0.763 86 P CB 0.083 31.835 31.700 0.086 0.000 0.805 87 D N -2.375 118.055 120.400 0.049 0.000 2.625 87 D HA 0.059 4.699 4.640 0.000 0.000 0.203 87 D C -0.832 175.504 176.300 0.060 0.000 1.230 87 D CA -0.336 53.690 54.000 0.044 0.000 0.784 87 D CB -0.039 40.789 40.800 0.047 0.000 1.936 87 D HN -0.386 nan 8.370 nan 0.000 0.522 88 T N 1.899 116.487 114.554 0.057 0.000 3.268 88 T HA 0.281 4.631 4.350 0.000 0.000 0.244 88 T C 0.731 175.488 174.700 0.096 0.000 0.915 88 T CA 0.322 62.485 62.100 0.104 0.000 0.935 88 T CB -0.205 68.713 68.868 0.083 0.000 1.110 88 T HN 0.395 nan 8.240 nan 0.000 0.573 89 S N -0.098 115.654 115.700 0.086 0.000 2.843 89 S HA 0.252 4.722 4.470 0.000 0.000 0.249 89 S C 1.234 175.887 174.600 0.089 0.000 1.047 89 S CA -0.507 57.726 58.200 0.055 0.000 1.042 89 S CB -0.227 62.986 63.200 0.023 0.000 0.936 89 S HN 0.267 nan 8.310 nan 0.000 0.531 90 I N 1.304 121.970 120.570 0.160 0.000 2.876 90 I HA 0.212 4.382 4.170 0.000 0.000 0.264 90 I C 0.956 177.192 176.117 0.199 0.000 1.204 90 I CA 0.572 61.950 61.300 0.129 0.000 1.485 90 I CB -1.251 36.788 38.000 0.064 0.000 1.103 90 I HN 0.714 nan 8.210 nan 0.000 0.446 91 Y N -0.509 119.757 120.300 -0.056 0.000 2.900 91 Y HA 0.556 5.106 4.550 0.000 0.000 0.318 91 Y C -0.753 175.108 175.900 -0.065 0.000 1.457 91 Y CA -1.628 56.431 58.100 -0.068 0.000 1.082 91 Y CB 1.073 39.473 38.460 -0.100 0.000 1.419 91 Y HN -0.095 nan 8.280 nan 0.000 0.459 92 N N 2.386 120.850 118.700 -0.394 0.000 2.569 92 N HA 0.384 5.124 4.740 0.000 0.000 0.254 92 N C -2.336 172.773 175.510 -0.669 0.000 1.004 92 N CA -2.842 49.912 53.050 -0.493 0.000 0.904 92 N CB 1.755 40.112 38.487 -0.216 0.000 1.165 92 N HN 0.382 nan 8.380 nan 0.000 0.513 93 P HA -0.148 nan 4.420 nan 0.000 0.231 93 P C 0.181 177.319 177.300 -0.270 0.000 1.154 93 P CA 1.056 63.795 63.100 -0.601 0.000 0.762 93 P CB 0.547 31.972 31.700 -0.458 0.000 0.790 94 E N -0.395 119.663 120.200 -0.236 0.000 2.102 94 E HA -0.024 4.326 4.350 0.000 0.000 0.190 94 E C 1.804 178.343 176.600 -0.102 0.000 0.971 94 E CA 1.689 58.007 56.400 -0.136 0.000 0.821 94 E CB -0.622 29.010 29.700 -0.115 0.000 0.777 94 E HN 0.390 nan 8.360 nan 0.000 0.460 95 T N -1.496 112.995 114.554 -0.106 0.000 3.054 95 T HA 0.144 4.494 4.350 0.000 0.000 0.255 95 T C 0.672 175.340 174.700 -0.052 0.000 1.035 95 T CA -0.375 61.688 62.100 -0.063 0.000 0.941 95 T CB 0.255 69.094 68.868 -0.047 0.000 1.026 95 T HN 0.090 nan 8.240 nan 0.000 0.533 96 Q N -0.266 119.495 119.800 -0.064 0.000 2.511 96 Q HA 0.689 5.029 4.340 0.000 0.000 0.289 96 Q C -1.487 174.490 176.000 -0.038 0.000 1.021 96 Q CA -1.406 54.380 55.803 -0.029 0.000 0.785 96 Q CB 1.663 30.431 28.738 0.050 0.000 1.472 96 Q HN -0.072 nan 8.270 nan 0.000 0.411 97 R N 0.386 120.744 120.500 -0.236 0.000 2.888 97 R HA 0.665 5.005 4.340 0.000 0.000 0.266 97 R C -0.871 175.133 176.300 -0.495 0.000 1.020 97 R CA -0.900 54.884 56.100 -0.526 0.000 0.963 97 R CB 1.554 31.020 30.300 -1.391 0.000 1.197 97 R HN 0.648 nan 8.270 nan 0.000 0.481 98 L N 0.788 121.660 121.223 -0.586 0.000 2.334 98 L HA 0.706 5.046 4.340 0.000 0.000 0.273 98 L C -0.452 176.163 176.870 -0.425 0.000 1.013 98 L CA -1.012 53.488 54.840 -0.567 0.000 0.816 98 L CB 2.009 43.605 42.059 -0.771 0.000 1.278 98 L HN 0.149 nan 8.230 nan 0.000 0.431 99 V N -0.295 119.381 119.914 -0.397 0.000 3.049 99 V HA 0.382 4.503 4.120 0.000 0.000 0.309 99 V C -1.320 174.565 176.094 -0.349 0.000 1.148 99 V CA -0.881 61.246 62.300 -0.287 0.000 0.990 99 V CB 2.204 33.941 31.823 -0.142 0.000 1.039 99 V HN 0.649 nan 8.190 nan 0.000 0.430 100 W N 1.507 122.685 121.300 -0.205 0.000 2.390 100 W HA 0.720 5.380 4.660 0.000 0.000 0.312 100 W C 0.138 176.575 176.519 -0.137 0.000 1.123 100 W CA -0.456 56.769 57.345 -0.201 0.000 1.202 100 W CB 1.615 30.866 29.460 -0.349 0.000 1.251 100 W HN 0.719 nan 8.180 nan 0.000 0.511 101 A N 3.589 126.570 122.820 0.267 0.000 2.304 101 A HA 0.459 4.779 4.320 0.000 0.000 0.314 101 A C -0.831 176.873 177.584 0.200 0.000 1.187 101 A CA -0.646 51.452 52.037 0.103 0.000 0.810 101 A CB 0.645 19.640 19.000 -0.009 0.000 1.183 101 A HN 0.750 nan 8.150 nan 0.000 0.487 102 C N 2.613 121.979 119.300 0.110 0.000 2.648 102 C HA 0.512 4.972 4.460 0.000 0.000 0.419 102 C C 1.373 176.330 174.990 -0.055 0.000 1.352 102 C CA 0.741 59.764 59.018 0.009 0.000 1.816 102 C CB -0.225 27.505 27.740 -0.016 0.000 2.598 102 C HN 1.046 nan 8.230 nan 0.000 0.598 103 A N 3.933 126.714 122.820 -0.066 0.000 2.242 103 A HA 0.633 4.953 4.320 0.000 0.000 0.205 103 A C 0.684 178.341 177.584 0.123 0.000 1.353 103 A CA 0.646 52.721 52.037 0.062 0.000 1.005 103 A CB -0.033 19.062 19.000 0.159 0.000 1.127 103 A HN 1.349 nan 8.150 nan 0.000 0.498 104 G N -0.853 107.926 108.800 -0.034 0.000 2.733 104 G HA2 0.551 4.511 3.960 0.000 0.000 0.297 104 G HA3 0.551 4.511 3.960 0.000 0.000 0.297 104 G C -1.637 173.111 174.900 -0.254 0.000 1.422 104 G CA -0.292 44.815 45.100 0.011 0.000 0.942 104 G HN 0.543 nan 8.290 nan 0.000 0.510 105 V N 0.121 119.812 119.914 -0.371 0.000 3.087 105 V HA 0.775 4.895 4.120 0.000 0.000 0.306 105 V C -0.842 174.985 176.094 -0.446 0.000 1.187 105 V CA -0.844 61.174 62.300 -0.470 0.000 0.999 105 V CB 2.320 33.932 31.823 -0.352 0.000 1.049 105 V HN 0.943 nan 8.190 nan 0.000 0.431 106 E N 2.392 122.294 120.200 -0.497 0.000 2.448 106 E HA 0.479 4.829 4.350 0.000 0.000 0.288 106 E C -1.916 174.499 176.600 -0.309 0.000 0.936 106 E CA -0.573 55.629 56.400 -0.330 0.000 0.809 106 E CB 1.273 30.781 29.700 -0.320 0.000 1.408 106 E HN 0.596 nan 8.360 nan 0.000 0.393 107 I N 3.413 123.902 120.570 -0.135 0.000 2.337 107 I HA 0.348 4.518 4.170 0.000 0.000 0.291 107 I C 0.843 176.879 176.117 -0.135 0.000 1.046 107 I CA 0.115 61.321 61.300 -0.158 0.000 1.324 107 I CB 1.464 39.401 38.000 -0.105 0.000 1.409 107 I HN 0.481 nan 8.210 nan 0.000 0.494 108 G N 6.352 115.045 108.800 -0.179 0.000 2.348 108 G HA2 0.621 4.581 3.960 0.000 0.000 0.312 108 G HA3 0.621 4.581 3.960 0.000 0.000 0.312 108 G C -0.311 174.453 174.900 -0.227 0.000 1.126 108 G CA -0.687 44.322 45.100 -0.152 0.000 0.865 108 G HN 0.330 nan 8.290 nan 0.000 0.474 109 R N 1.160 121.533 120.500 -0.211 0.000 2.562 109 R HA 0.455 4.795 4.340 0.000 0.000 0.298 109 R C 0.944 177.128 176.300 -0.193 0.000 0.961 109 R CA -0.372 55.542 56.100 -0.310 0.000 0.881 109 R CB 1.797 31.930 30.300 -0.279 0.000 1.159 109 R HN 0.605 nan 8.270 nan 0.000 0.450 110 G N 1.815 110.488 108.800 -0.212 0.000 2.658 110 G HA2 -0.087 3.873 3.960 0.000 0.000 0.217 110 G HA3 -0.087 3.873 3.960 0.000 0.000 0.217 110 G C 0.080 174.929 174.900 -0.084 0.000 1.319 110 G CA 0.022 45.049 45.100 -0.122 0.000 0.885 110 G HN 0.380 nan 8.290 nan 0.000 0.553 111 Q N 1.325 121.077 119.800 -0.079 0.000 2.560 111 Q HA 0.052 4.392 4.340 0.000 0.000 0.303 111 Q C -2.001 173.983 176.000 -0.025 0.000 1.230 111 Q CA -0.348 55.431 55.803 -0.040 0.000 1.023 111 Q CB -0.334 28.387 28.738 -0.027 0.000 1.317 111 Q HN 0.310 nan 8.270 nan 0.000 0.482 112 P HA 0.189 nan 4.420 nan 0.000 0.279 112 P C -0.454 176.855 177.300 0.016 0.000 1.252 112 P CA -0.632 62.470 63.100 0.004 0.000 0.811 112 P CB 0.662 32.366 31.700 0.008 0.000 1.035 113 L N 1.031 122.266 121.223 0.019 0.000 2.492 113 L HA 0.453 4.793 4.340 0.000 0.000 0.280 113 L C 1.385 178.275 176.870 0.033 0.000 1.240 113 L CA 1.755 56.612 54.840 0.029 0.000 0.831 113 L CB -0.731 41.346 42.059 0.030 0.000 1.100 113 L HN 0.808 nan 8.230 nan 0.000 0.505 114 G N 0.435 109.258 108.800 0.040 0.000 2.387 114 G HA2 0.527 4.487 3.960 0.000 0.000 0.294 114 G HA3 0.527 4.487 3.960 0.000 0.000 0.294 114 G C -1.723 173.205 174.900 0.047 0.000 1.509 114 G CA -0.154 44.970 45.100 0.040 0.000 0.806 114 G HN 0.711 nan 8.290 nan 0.000 0.546 115 V N -1.432 118.511 119.914 0.048 0.000 2.628 115 V HA 1.028 5.148 4.120 0.000 0.000 0.306 115 V C 0.375 176.499 176.094 0.051 0.000 1.045 115 V CA -0.121 62.217 62.300 0.063 0.000 0.905 115 V CB 1.464 33.327 31.823 0.067 0.000 0.997 115 V HN 1.843 nan 8.190 nan 0.000 0.436 116 G N 3.385 112.228 108.800 0.072 0.000 2.571 116 G HA2 0.689 4.649 3.960 0.000 0.000 0.304 116 G HA3 0.689 4.649 3.960 0.000 0.000 0.304 116 G C -1.209 173.726 174.900 0.058 0.000 1.314 116 G CA -1.001 44.130 45.100 0.052 0.000 0.975 116 G HN 0.853 nan 8.290 nan 0.000 0.485 117 L N 0.546 121.783 121.223 0.023 0.000 2.387 117 L HA 0.728 5.068 4.340 0.000 0.000 0.266 117 L C 0.204 177.054 176.870 -0.032 0.000 1.059 117 L CA -0.752 54.057 54.840 -0.053 0.000 0.801 117 L CB 1.973 44.002 42.059 -0.050 0.000 1.223 117 L HN 0.451 nan 8.230 nan 0.000 0.456 118 S N -0.448 115.107 115.700 -0.241 0.000 2.540 118 S HA 0.834 5.304 4.470 0.000 0.000 0.275 118 S C -0.186 174.198 174.600 -0.359 0.000 1.123 118 S CA -0.582 57.434 58.200 -0.307 0.000 0.907 118 S CB 2.174 65.121 63.200 -0.421 0.000 1.081 118 S HN 0.900 nan 8.310 nan 0.000 0.476 119 G N 0.812 109.368 108.800 -0.406 0.000 2.911 119 G HA2 0.677 4.637 3.960 0.000 0.000 0.299 119 G HA3 0.677 4.637 3.960 0.000 0.000 0.299 119 G C -1.976 172.807 174.900 -0.196 0.000 1.283 119 G CA -0.369 44.571 45.100 -0.268 0.000 0.805 119 G HN 0.653 nan 8.290 nan 0.000 0.548 120 H N -0.629 118.315 119.070 -0.211 0.000 3.026 120 H HA 0.368 4.924 4.556 0.000 0.000 0.352 120 H C -2.303 172.903 175.328 -0.204 0.000 1.090 120 H CA -1.205 54.750 56.048 -0.156 0.000 1.268 120 H CB 2.842 32.596 29.762 -0.014 0.000 1.816 120 H HN 0.113 nan 8.280 nan 0.000 0.518 121 P HA 0.009 nan 4.420 nan 0.000 0.221 121 P C -0.120 176.878 177.300 -0.503 0.000 1.150 121 P CA 1.264 64.091 63.100 -0.456 0.000 0.800 121 P CB 0.142 31.348 31.700 -0.823 0.000 0.787 122 F N -2.797 117.383 119.950 0.383 0.000 2.597 122 F HA 0.264 4.791 4.527 0.000 0.000 0.336 122 F C 0.242 175.925 175.800 -0.196 0.000 1.432 122 F CA -1.295 56.746 58.000 0.069 0.000 1.120 122 F CB -0.043 38.992 39.000 0.058 0.000 1.253 122 F HN -0.189 nan 8.300 nan 0.000 0.546 123 Y N 1.950 122.145 120.300 -0.174 0.000 2.497 123 Y HA 0.054 4.604 4.550 0.000 0.000 0.334 123 Y C 0.701 176.465 175.900 -0.227 0.000 1.199 123 Y CA -0.269 57.648 58.100 -0.305 0.000 1.425 123 Y CB 0.524 38.829 38.460 -0.258 0.000 1.291 123 Y HN 0.300 nan 8.280 nan 0.000 0.562 124 N N 5.541 123.883 118.700 -0.597 0.000 2.807 124 N HA 0.073 4.813 4.740 0.000 0.000 0.259 124 N C -1.349 173.958 175.510 -0.338 0.000 1.149 124 N CA -0.207 52.613 53.050 -0.383 0.000 1.042 124 N CB -0.161 38.115 38.487 -0.352 0.000 1.367 124 N HN 0.553 nan 8.380 nan 0.000 0.516 125 K N 3.830 124.143 120.400 -0.144 0.000 2.367 125 K HA 0.138 4.458 4.320 0.000 0.000 0.263 125 K C 0.405 176.934 176.600 -0.118 0.000 1.000 125 K CA -0.623 55.572 56.287 -0.153 0.000 0.891 125 K CB 0.908 33.158 32.500 -0.416 0.000 1.117 125 K HN 0.281 nan 8.250 nan 0.000 0.443 126 L N 3.919 125.118 121.223 -0.041 0.000 1.973 126 L HA -0.024 4.316 4.340 0.000 0.000 0.208 126 L C -0.413 176.472 176.870 0.025 0.000 1.073 126 L CA 2.113 56.949 54.840 -0.007 0.000 0.746 126 L CB -0.170 41.898 42.059 0.014 0.000 0.891 126 L HN 0.927 nan 8.230 nan 0.000 0.433 127 D N -3.513 116.950 120.400 0.106 0.000 2.742 127 D HA 0.167 4.807 4.640 0.000 0.000 0.262 127 D C -1.497 175.020 176.300 0.361 0.000 1.240 127 D CA -0.650 53.453 54.000 0.171 0.000 0.752 127 D CB -0.038 40.840 40.800 0.130 0.000 1.290 127 D HN -0.012 nan 8.370 nan 0.000 0.420 128 D N -0.756 119.866 120.400 0.370 0.000 2.382 128 D HA 0.309 4.949 4.640 0.000 0.000 0.259 128 D C 0.792 177.261 176.300 0.281 0.000 1.224 128 D CA 0.197 54.438 54.000 0.401 0.000 0.894 128 D CB 0.762 41.739 40.800 0.295 0.000 1.127 128 D HN 0.452 nan 8.370 nan 0.000 0.487 129 T N -0.076 114.658 114.554 0.300 0.000 3.085 129 T HA 0.087 4.437 4.350 0.000 0.000 0.264 129 T C 1.263 176.082 174.700 0.199 0.000 1.019 129 T CA -0.353 61.895 62.100 0.247 0.000 0.910 129 T CB 0.101 69.167 68.868 0.331 0.000 1.059 129 T HN 0.498 nan 8.240 nan 0.000 0.542 130 E N 2.109 122.417 120.200 0.179 0.000 2.152 130 E HA -0.061 4.289 4.350 0.000 0.000 0.192 130 E C 0.475 177.108 176.600 0.055 0.000 0.983 130 E CA 1.152 57.630 56.400 0.129 0.000 0.818 130 E CB 0.199 29.773 29.700 -0.209 0.000 0.758 130 E HN 0.654 nan 8.360 nan 0.000 0.467 131 S N -0.290 115.437 115.700 0.044 0.000 3.595 131 S HA -0.004 4.466 4.470 0.000 0.000 0.122 131 S C -0.398 174.215 174.600 0.021 0.000 0.849 131 S CA -0.132 58.075 58.200 0.012 0.000 0.827 131 S CB -0.995 62.183 63.200 -0.037 0.000 1.236 131 S HN 0.206 nan 8.310 nan 0.000 0.681 132 S N 1.510 117.254 115.700 0.074 0.000 2.810 132 S HA -0.026 4.444 4.470 0.000 0.000 0.329 132 S C 1.129 175.785 174.600 0.094 0.000 1.231 132 S CA 0.023 58.285 58.200 0.104 0.000 1.042 132 S CB -0.111 63.161 63.200 0.121 0.000 0.756 132 S HN 0.506 nan 8.310 nan 0.000 0.504 133 H N 2.865 121.964 119.070 0.049 0.000 2.437 133 H HA -0.162 4.394 4.556 0.000 0.000 0.296 133 H C 1.199 176.547 175.328 0.034 0.000 1.121 133 H CA 1.936 58.005 56.048 0.036 0.000 1.255 133 H CB -0.109 29.673 29.762 0.034 0.000 1.366 133 H HN 0.908 nan 8.280 nan 0.000 0.512 134 A N -1.171 121.751 122.820 0.169 0.000 5.463 134 A HA 0.576 4.896 4.320 0.000 0.000 0.118 134 A C -0.603 177.034 177.584 0.088 0.000 1.089 134 A CA 0.128 52.231 52.037 0.110 0.000 1.812 134 A CB -0.550 18.512 19.000 0.103 0.000 2.637 134 A HN 0.347 nan 8.150 nan 0.000 1.194 135 A N -0.395 122.467 122.820 0.070 0.000 2.310 135 A HA 0.683 5.003 4.320 0.000 0.000 0.260 135 A C 0.636 178.257 177.584 0.062 0.000 1.112 135 A CA 0.908 52.980 52.037 0.058 0.000 0.804 135 A CB -0.338 18.687 19.000 0.042 0.000 1.081 135 A HN 2.137 nan 8.150 nan 0.000 0.499 136 T N -2.171 112.415 114.554 0.054 0.000 2.831 136 T HA 0.634 4.984 4.350 0.000 0.000 0.287 136 T C 0.244 174.965 174.700 0.034 0.000 1.070 136 T CA 0.006 62.138 62.100 0.052 0.000 1.010 136 T CB 0.418 69.327 68.868 0.068 0.000 1.264 136 T HN 1.467 nan 8.240 nan 0.000 0.532 137 S N 1.059 116.776 115.700 0.029 0.000 2.560 137 S HA 0.108 4.578 4.470 0.000 0.000 0.276 137 S C 0.275 174.881 174.600 0.010 0.000 1.350 137 S CA -0.580 57.630 58.200 0.016 0.000 1.024 137 S CB -0.508 62.699 63.200 0.012 0.000 0.864 137 S HN 0.975 nan 8.310 nan 0.000 0.536 138 N N 0.287 118.990 118.700 0.004 0.000 2.492 138 N HA 0.043 4.783 4.740 0.000 0.000 0.262 138 N C -0.003 175.503 175.510 -0.007 0.000 1.202 138 N CA -0.355 52.695 53.050 -0.001 0.000 0.926 138 N CB 0.421 38.906 38.487 -0.003 0.000 1.078 138 N HN 0.470 nan 8.380 nan 0.000 0.454 139 V N 3.215 123.123 119.914 -0.011 0.000 3.102 139 V HA -0.045 4.075 4.120 0.000 0.000 0.371 139 V C 1.727 177.808 176.094 -0.022 0.000 1.414 139 V CA 0.513 62.802 62.300 -0.018 0.000 1.565 139 V CB -2.062 29.748 31.823 -0.022 0.000 1.273 139 V HN 0.803 nan 8.190 nan 0.000 0.478 140 S N 0.868 116.556 115.700 -0.020 0.000 2.500 140 S HA -0.209 4.261 4.470 0.000 0.000 0.210 140 S C 1.424 176.006 174.600 -0.029 0.000 1.101 140 S CA 1.753 59.940 58.200 -0.022 0.000 1.272 140 S CB 0.041 63.230 63.200 -0.019 0.000 1.071 140 S HN 0.695 nan 8.310 nan 0.000 0.397 141 E N -0.173 120.007 120.200 -0.034 0.000 3.968 141 E HA 0.149 4.499 4.350 0.000 0.000 0.219 141 E C -1.065 175.503 176.600 -0.054 0.000 1.310 141 E CA -0.019 56.355 56.400 -0.044 0.000 1.622 141 E CB 0.472 30.146 29.700 -0.044 0.000 1.730 141 E HN 0.382 nan 8.360 nan 0.000 0.629 142 D N 0.964 121.331 120.400 -0.054 0.000 2.472 142 D HA 0.250 4.890 4.640 0.000 0.000 0.234 142 D C -0.380 175.895 176.300 -0.042 0.000 1.088 142 D CA -0.136 53.825 54.000 -0.064 0.000 0.882 142 D CB 1.706 42.453 40.800 -0.088 0.000 1.037 142 D HN 0.017 nan 8.370 nan 0.000 0.520 143 V N 3.685 123.577 119.914 -0.037 0.000 3.176 143 V HA 0.238 4.358 4.120 0.000 0.000 0.332 143 V C 1.015 177.098 176.094 -0.018 0.000 1.414 143 V CA -0.387 61.899 62.300 -0.023 0.000 1.133 143 V CB -0.514 31.295 31.823 -0.024 0.000 1.088 143 V HN 0.301 nan 8.190 nan 0.000 0.473 144 R N 1.886 122.380 120.500 -0.009 0.000 2.522 144 R HA 0.230 4.570 4.340 0.000 0.000 0.284 144 R C -0.609 175.734 176.300 0.072 0.000 1.032 144 R CA 0.343 56.457 56.100 0.024 0.000 1.049 144 R CB 0.350 30.685 30.300 0.058 0.000 0.956 144 R HN 0.339 nan 8.270 nan 0.000 0.422 145 D N 0.868 121.284 120.400 0.026 0.000 2.340 145 D HA 0.088 4.728 4.640 0.000 0.000 0.243 145 D C -0.533 175.755 176.300 -0.021 0.000 0.988 145 D CA -0.621 53.377 54.000 -0.003 0.000 0.959 145 D CB 1.189 41.945 40.800 -0.073 0.000 1.226 145 D HN 0.337 nan 8.370 nan 0.000 0.509 146 N N 1.232 119.896 118.700 -0.061 0.000 2.406 146 N HA 0.233 4.973 4.740 0.000 0.000 0.251 146 N C -0.863 174.561 175.510 -0.144 0.000 1.069 146 N CA -0.177 52.809 53.050 -0.106 0.000 0.947 146 N CB 0.510 38.923 38.487 -0.123 0.000 1.111 146 N HN 0.253 nan 8.380 nan 0.000 0.497 147 V N 0.840 120.637 119.914 -0.195 0.000 3.102 147 V HA 0.871 4.991 4.120 0.000 0.000 0.312 147 V C -0.140 175.798 176.094 -0.259 0.000 1.135 147 V CA -0.853 61.281 62.300 -0.276 0.000 1.022 147 V CB 1.428 32.943 31.823 -0.513 0.000 1.056 147 V HN 0.681 nan 8.190 nan 0.000 0.436 148 S N 0.912 116.483 115.700 -0.214 0.000 2.697 148 S HA 0.962 5.432 4.470 0.000 0.000 0.289 148 S C -0.930 173.575 174.600 -0.159 0.000 1.149 148 S CA -0.300 57.785 58.200 -0.193 0.000 0.850 148 S CB 1.751 64.864 63.200 -0.144 0.000 1.151 148 S HN 2.401 nan 8.310 nan 0.000 0.491 149 V N 1.317 121.115 119.914 -0.193 0.000 3.036 149 V HA 0.390 4.510 4.120 0.000 0.000 0.280 149 V C -2.191 173.728 176.094 -0.293 0.000 1.497 149 V CA -0.620 61.582 62.300 -0.163 0.000 0.982 149 V CB 2.054 33.839 31.823 -0.063 0.000 1.171 149 V HN 1.248 nan 8.190 nan 0.000 0.444 150 D N 5.216 125.502 120.400 -0.190 0.000 2.264 150 D HA 0.283 4.923 4.640 0.000 0.000 0.250 150 D C -0.131 176.086 176.300 -0.138 0.000 1.113 150 D CA 0.029 53.923 54.000 -0.177 0.000 0.871 150 D CB 0.757 41.538 40.800 -0.030 0.000 1.167 150 D HN 0.554 nan 8.370 nan 0.000 0.447 151 Y N 0.349 120.587 120.300 -0.104 0.000 2.220 151 Y HA 0.033 4.583 4.550 0.000 0.000 0.347 151 Y C 1.686 177.600 175.900 0.022 0.000 1.311 151 Y CA -0.817 57.197 58.100 -0.143 0.000 1.593 151 Y CB 0.664 38.775 38.460 -0.582 0.000 1.419 151 Y HN 0.297 nan 8.280 nan 0.000 0.614 152 K N 1.429 121.979 120.400 0.251 0.000 2.319 152 K HA -0.009 4.311 4.320 0.000 0.000 0.265 152 K C -0.658 176.108 176.600 0.276 0.000 1.000 152 K CA -0.403 55.995 56.287 0.186 0.000 0.943 152 K CB 0.572 33.149 32.500 0.129 0.000 0.950 152 K HN 0.679 nan 8.250 nan 0.000 0.485 153 Q N 2.455 122.382 119.800 0.212 0.000 2.314 153 Q HA 0.229 4.569 4.340 0.000 0.000 0.259 153 Q C -1.408 174.692 176.000 0.168 0.000 0.951 153 Q CA -0.442 55.485 55.803 0.207 0.000 0.909 153 Q CB 1.469 30.303 28.738 0.160 0.000 1.236 153 Q HN 0.701 nan 8.270 nan 0.000 0.444 154 T N 3.300 117.953 114.554 0.165 0.000 2.906 154 T HA 0.505 4.855 4.350 0.000 0.000 0.295 154 T C -1.157 173.613 174.700 0.117 0.000 1.075 154 T CA -0.764 61.420 62.100 0.140 0.000 1.005 154 T CB 1.815 70.781 68.868 0.163 0.000 1.136 154 T HN 0.582 nan 8.240 nan 0.000 0.498 155 Q N 1.352 121.214 119.800 0.104 0.000 2.313 155 Q HA 0.576 4.916 4.340 0.000 0.000 0.255 155 Q C -1.723 174.331 176.000 0.091 0.000 0.944 155 Q CA -0.776 55.089 55.803 0.103 0.000 0.881 155 Q CB 2.324 31.043 28.738 -0.032 0.000 1.375 155 Q HN 0.647 nan 8.270 nan 0.000 0.422 156 L N -0.787 120.551 121.223 0.192 0.000 2.465 156 L HA 0.977 5.317 4.340 0.000 0.000 0.257 156 L C -1.597 175.441 176.870 0.280 0.000 0.988 156 L CA -0.693 54.253 54.840 0.177 0.000 0.827 156 L CB 2.400 44.576 42.059 0.196 0.000 1.397 156 L HN 0.689 nan 8.230 nan 0.000 0.410 157 C N 4.384 123.817 119.300 0.222 0.000 2.607 157 C HA 0.833 5.293 4.460 0.000 0.000 0.350 157 C C -1.266 173.853 174.990 0.215 0.000 1.101 157 C CA -0.334 58.862 59.018 0.298 0.000 1.282 157 C CB 0.612 28.613 27.740 0.436 0.000 1.825 157 C HN 0.756 nan 8.230 nan 0.000 0.460 158 I N 6.719 127.415 120.570 0.210 0.000 2.436 158 I HA 0.494 4.664 4.170 0.000 0.000 0.289 158 I C -0.417 175.799 176.117 0.165 0.000 1.010 158 I CA -0.557 60.833 61.300 0.149 0.000 1.098 158 I CB 1.445 39.474 38.000 0.048 0.000 1.266 158 I HN 0.583 nan 8.210 nan 0.000 0.434 159 L N 4.812 126.142 121.223 0.178 0.000 2.334 159 L HA 0.953 5.293 4.340 0.000 0.000 0.276 159 L C 0.314 176.949 176.870 -0.392 0.000 1.014 159 L CA -0.322 54.575 54.840 0.095 0.000 0.815 159 L CB 2.292 44.557 42.059 0.344 0.000 1.268 159 L HN 0.843 nan 8.230 nan 0.000 0.428 160 G N -0.226 108.303 108.800 -0.451 0.000 2.451 160 G HA2 0.288 4.248 3.960 0.000 0.000 0.292 160 G HA3 0.288 4.248 3.960 0.000 0.000 0.292 160 G C -0.640 174.170 174.900 -0.149 0.000 1.427 160 G CA -0.259 44.346 45.100 -0.824 0.000 0.792 160 G HN 0.733 nan 8.290 nan 0.000 0.498 161 C N -0.718 118.589 119.300 0.011 0.000 2.492 161 C HA 0.812 5.273 4.460 0.000 0.000 0.317 161 C C 0.789 175.883 174.990 0.174 0.000 1.347 161 C CA -0.252 58.935 59.018 0.282 0.000 1.759 161 C CB -1.593 26.378 27.740 0.385 0.000 2.127 161 C HN 1.800 nan 8.230 nan 0.000 0.579 162 A N 1.186 123.888 122.820 -0.196 0.000 2.555 162 A HA 0.788 5.108 4.320 0.000 0.000 0.297 162 A C -2.947 174.012 177.584 -1.042 0.000 1.060 162 A CA -0.846 50.802 52.037 -0.649 0.000 0.710 162 A CB 0.832 19.695 19.000 -0.228 0.000 1.282 162 A HN 0.172 nan 8.150 nan 0.000 0.399 163 P HA 0.230 nan 4.420 nan 0.000 0.267 163 P C 0.233 177.233 177.300 -0.500 0.000 1.195 163 P CA 0.579 63.053 63.100 -1.044 0.000 0.773 163 P CB 0.553 31.767 31.700 -0.810 0.000 0.837 164 A N 2.803 125.426 122.820 -0.328 0.000 2.304 164 A HA 0.520 4.840 4.320 0.000 0.000 0.271 164 A C 0.316 177.759 177.584 -0.236 0.000 1.091 164 A CA -0.618 51.269 52.037 -0.250 0.000 0.812 164 A CB -0.131 18.740 19.000 -0.215 0.000 1.056 164 A HN 0.474 nan 8.150 nan 0.000 0.489 165 I N 0.501 120.939 120.570 -0.219 0.000 2.437 165 I HA 0.581 4.751 4.170 0.000 0.000 0.298 165 I C 0.818 176.798 176.117 -0.228 0.000 0.984 165 I CA -0.013 61.171 61.300 -0.192 0.000 1.214 165 I CB 2.094 40.008 38.000 -0.143 0.000 1.365 165 I HN 0.694 nan 8.210 nan 0.000 0.469 166 G N 3.470 112.155 108.800 -0.191 0.000 2.569 166 G HA2 0.726 4.686 3.960 0.000 0.000 0.300 166 G HA3 0.726 4.686 3.960 0.000 0.000 0.300 166 G C -1.515 173.339 174.900 -0.077 0.000 1.269 166 G CA -0.464 44.532 45.100 -0.174 0.000 0.959 166 G HN 0.666 nan 8.290 nan 0.000 0.478 167 E N -0.548 119.637 120.200 -0.025 0.000 2.359 167 E HA 0.730 5.080 4.350 0.000 0.000 0.266 167 E C -1.251 175.379 176.600 0.051 0.000 0.920 167 E CA -1.002 55.372 56.400 -0.043 0.000 0.788 167 E CB 2.529 32.155 29.700 -0.123 0.000 1.279 167 E HN 0.770 nan 8.360 nan 0.000 0.438 168 H N -0.645 118.267 119.070 -0.264 0.000 2.969 168 H HA 0.217 4.773 4.556 0.000 0.000 0.304 168 H C -2.008 173.077 175.328 -0.404 0.000 1.400 168 H CA -1.142 54.766 56.048 -0.233 0.000 1.182 168 H CB -0.043 29.684 29.762 -0.059 0.000 1.865 168 H HN 0.649 nan 8.280 nan 0.000 0.512 169 W N 1.114 122.368 121.300 -0.077 0.000 2.376 169 W HA 0.714 5.374 4.660 0.000 0.000 0.322 169 W C -0.018 176.416 176.519 -0.143 0.000 1.160 169 W CA 0.098 57.349 57.345 -0.157 0.000 1.218 169 W CB 1.778 31.188 29.460 -0.083 0.000 1.205 169 W HN 0.875 nan 8.180 nan 0.000 0.559 170 A N 2.263 125.124 122.820 0.068 0.000 2.594 170 A HA 0.535 4.855 4.320 0.000 0.000 0.291 170 A C -1.130 176.493 177.584 0.066 0.000 1.105 170 A CA -1.194 50.875 52.037 0.052 0.000 0.694 170 A CB 1.356 20.349 19.000 -0.012 0.000 1.291 170 A HN 0.563 nan 8.150 nan 0.000 0.410 171 K N 0.854 121.285 120.400 0.051 0.000 2.472 171 K HA 0.295 4.615 4.320 0.000 0.000 0.280 171 K C 0.638 177.257 176.600 0.033 0.000 1.028 171 K CA 0.634 56.945 56.287 0.039 0.000 1.045 171 K CB 0.156 32.674 32.500 0.030 0.000 0.902 171 K HN 0.906 nan 8.250 nan 0.000 0.478 172 G N 2.615 111.437 108.800 0.035 0.000 2.569 172 G HA2 0.046 4.006 3.960 0.000 0.000 0.249 172 G HA3 0.046 4.006 3.960 0.000 0.000 0.249 172 G C -0.599 174.311 174.900 0.017 0.000 1.216 172 G CA -0.621 44.496 45.100 0.028 0.000 0.845 172 G HN 0.656 nan 8.290 nan 0.000 0.568 173 T N 1.282 115.843 114.554 0.012 0.000 2.793 173 T HA 0.358 4.708 4.350 0.000 0.000 0.289 173 T C 0.897 175.601 174.700 0.008 0.000 0.956 173 T CA 0.341 62.446 62.100 0.008 0.000 1.177 173 T CB 0.569 69.440 68.868 0.004 0.000 0.897 173 T HN 0.821 nan 8.240 nan 0.000 0.533 174 A N 4.683 127.508 122.820 0.007 0.000 2.526 174 A HA 0.371 4.691 4.320 0.000 0.000 0.267 174 A C 1.043 178.629 177.584 0.004 0.000 1.095 174 A CA -0.613 51.428 52.037 0.005 0.000 0.775 174 A CB -0.285 18.717 19.000 0.004 0.000 1.036 174 A HN 0.919 nan 8.150 nan 0.000 0.510 175 S N 2.665 118.367 115.700 0.004 0.000 2.549 175 S HA 0.153 4.623 4.470 0.000 0.000 0.283 175 S C 1.047 175.648 174.600 0.002 0.000 1.320 175 S CA 0.039 58.240 58.200 0.003 0.000 1.058 175 S CB 0.912 64.114 63.200 0.003 0.000 0.882 175 S HN 0.795 nan 8.310 nan 0.000 0.498 176 K N 2.194 122.595 120.400 0.001 0.000 2.148 176 K HA -0.130 4.190 4.320 0.000 0.000 0.204 176 K C 2.083 178.683 176.600 0.000 0.000 1.050 176 K CA 1.520 57.808 56.287 0.001 0.000 0.942 176 K CB -0.683 31.817 32.500 0.000 0.000 0.724 176 K HN 0.715 nan 8.250 nan 0.000 0.446 177 S N 0.737 116.437 115.700 0.000 0.000 2.348 177 S HA -0.114 4.356 4.470 0.000 0.000 0.221 177 S C 1.345 175.945 174.600 0.000 0.000 1.033 177 S CA 0.413 58.613 58.200 0.000 0.000 1.010 177 S CB -0.183 63.017 63.200 0.001 0.000 0.891 177 S HN 0.198 nan 8.310 nan 0.000 0.442 178 R N 2.767 123.267 120.500 0.000 0.000 2.363 178 R HA 0.443 4.783 4.340 0.000 0.000 0.297 178 R C -2.898 173.402 176.300 0.000 0.000 1.208 178 R CA -2.353 53.747 56.100 -0.000 0.000 1.121 178 R CB 0.964 31.264 30.300 -0.000 0.000 1.124 178 R HN 0.399 nan 8.270 nan 0.000 0.561 179 P HA -0.029 nan 4.420 nan 0.000 0.270 179 P C -0.464 176.836 177.300 -0.001 0.000 1.227 179 P CA -0.516 62.584 63.100 -0.000 0.000 0.788 179 P CB 0.968 32.667 31.700 -0.001 0.000 0.926 180 L N 1.922 123.145 121.223 -0.001 0.000 2.272 180 L HA 0.177 4.517 4.340 0.000 0.000 0.284 180 L C 0.363 177.232 176.870 -0.002 0.000 1.045 180 L CA -0.133 54.706 54.840 -0.001 0.000 0.842 180 L CB -0.031 42.028 42.059 -0.000 0.000 1.224 180 L HN 0.393 nan 8.230 nan 0.000 0.430 181 S N 2.602 118.300 115.700 -0.003 0.000 2.546 181 S HA 0.121 4.591 4.470 0.000 0.000 0.290 181 S C 0.204 174.801 174.600 -0.005 0.000 1.290 181 S CA -0.565 57.632 58.200 -0.004 0.000 1.069 181 S CB 0.409 63.606 63.200 -0.004 0.000 0.846 181 S HN 0.599 nan 8.310 nan 0.000 0.495 182 Q N 2.047 121.844 119.800 -0.005 0.000 2.304 182 Q HA 0.363 4.703 4.340 0.000 0.000 0.315 182 Q C 1.394 177.389 176.000 -0.008 0.000 1.075 182 Q CA 1.881 57.681 55.803 -0.006 0.000 0.988 182 Q CB -0.267 28.468 28.738 -0.006 0.000 1.146 182 Q HN 1.306 nan 8.270 nan 0.000 0.383 183 G N 3.241 112.036 108.800 -0.008 0.000 2.397 183 G HA2 -0.257 3.703 3.960 0.000 0.000 0.211 183 G HA3 -0.257 3.703 3.960 0.000 0.000 0.211 183 G C -0.075 174.818 174.900 -0.011 0.000 1.077 183 G CA -0.067 45.027 45.100 -0.011 0.000 0.649 183 G HN 0.664 nan 8.290 nan 0.000 0.511 184 D N 0.417 120.811 120.400 -0.010 0.000 2.362 184 D HA 0.416 5.056 4.640 0.000 0.000 0.238 184 D C 0.956 177.250 176.300 -0.011 0.000 1.212 184 D CA 0.594 54.587 54.000 -0.011 0.000 0.902 184 D CB 0.849 41.644 40.800 -0.009 0.000 1.180 184 D HN 0.604 nan 8.370 nan 0.000 0.445 185 C N 3.413 122.705 119.300 -0.014 0.000 2.585 185 C HA 0.439 4.899 4.460 0.000 0.000 0.406 185 C C -1.930 173.051 174.990 -0.014 0.000 1.312 185 C CA -1.346 57.661 59.018 -0.017 0.000 1.924 185 C CB -0.484 27.242 27.740 -0.024 0.000 2.578 185 C HN 0.452 nan 8.230 nan 0.000 0.580 186 P HA 0.413 nan 4.420 nan 0.000 0.276 186 P C -2.809 174.486 177.300 -0.008 0.000 1.261 186 P CA -1.031 62.066 63.100 -0.005 0.000 0.800 186 P CB 0.292 31.993 31.700 0.001 0.000 1.066 187 P HA 0.264 nan 4.420 nan 0.000 0.288 187 P C -0.746 176.571 177.300 0.028 0.000 1.267 187 P CA -0.341 62.762 63.100 0.005 0.000 0.815 187 P CB 0.852 32.559 31.700 0.013 0.000 0.989 188 L N 2.149 123.390 121.223 0.029 0.000 2.312 188 L HA 0.442 4.782 4.340 0.000 0.000 0.281 188 L C 0.753 177.786 176.870 0.271 0.000 1.070 188 L CA 0.019 54.930 54.840 0.118 0.000 0.805 188 L CB 0.375 42.406 42.059 -0.048 0.000 1.174 188 L HN 0.580 nan 8.230 nan 0.000 0.434 189 E N 2.591 122.976 120.200 0.308 0.000 2.224 189 E HA 0.309 4.659 4.350 0.000 0.000 0.265 189 E C -1.358 175.234 176.600 -0.013 0.000 0.878 189 E CA -0.936 55.579 56.400 0.192 0.000 0.759 189 E CB 2.296 32.024 29.700 0.047 0.000 1.164 189 E HN 0.389 nan 8.360 nan 0.000 0.414 190 L N 4.410 125.441 121.223 -0.320 0.000 2.410 190 L HA 0.265 4.605 4.340 0.000 0.000 0.273 190 L C -0.747 175.815 176.870 -0.513 0.000 1.144 190 L CA 0.646 54.941 54.840 -0.908 0.000 0.863 190 L CB 0.292 41.767 42.059 -0.973 0.000 1.140 190 L HN 0.450 nan 8.230 nan 0.000 0.463 191 K N 4.298 124.347 120.400 -0.584 0.000 2.323 191 K HA 0.409 4.729 4.320 0.000 0.000 0.259 191 K C -0.830 175.616 176.600 -0.257 0.000 0.947 191 K CA -0.864 55.191 56.287 -0.387 0.000 0.819 191 K CB 1.252 33.499 32.500 -0.422 0.000 1.109 191 K HN 0.591 nan 8.250 nan 0.000 0.429 192 N N 1.119 119.730 118.700 -0.149 0.000 2.515 192 N HA 0.314 5.054 4.740 0.000 0.000 0.279 192 N C -0.356 175.129 175.510 -0.041 0.000 1.164 192 N CA 0.134 53.130 53.050 -0.091 0.000 0.982 192 N CB 1.878 40.314 38.487 -0.085 0.000 1.170 192 N HN 0.584 nan 8.380 nan 0.000 0.474 193 T N -1.171 113.362 114.554 -0.035 0.000 2.733 193 T HA 0.268 4.618 4.350 0.000 0.000 0.312 193 T C -1.335 173.323 174.700 -0.070 0.000 1.590 193 T CA -0.597 61.486 62.100 -0.029 0.000 1.005 193 T CB 0.448 69.325 68.868 0.014 0.000 1.528 193 T HN 0.016 nan 8.240 nan 0.000 0.496 194 V N 3.119 122.993 119.914 -0.067 0.000 2.732 194 V HA 0.418 4.538 4.120 0.000 0.000 0.297 194 V C 0.340 176.360 176.094 -0.123 0.000 1.060 194 V CA -0.533 61.713 62.300 -0.090 0.000 1.038 194 V CB 1.122 32.919 31.823 -0.043 0.000 1.003 194 V HN 0.700 nan 8.190 nan 0.000 0.481 195 L N 5.164 126.287 121.223 -0.166 0.000 2.268 195 L HA 0.363 4.703 4.340 0.000 0.000 0.289 195 L C 0.438 177.267 176.870 -0.069 0.000 1.064 195 L CA -0.012 54.681 54.840 -0.245 0.000 0.824 195 L CB 0.292 42.089 42.059 -0.437 0.000 1.202 195 L HN 0.723 nan 8.230 nan 0.000 0.433 196 E N 1.409 121.571 120.200 -0.063 0.000 2.280 196 E HA 0.184 4.534 4.350 0.000 0.000 0.264 196 E C -0.888 175.742 176.600 0.050 0.000 1.064 196 E CA -0.920 55.477 56.400 -0.005 0.000 0.900 196 E CB 1.184 30.797 29.700 -0.144 0.000 1.123 196 E HN 0.379 nan 8.360 nan 0.000 0.418 197 D N -0.728 119.733 120.400 0.101 0.000 2.425 197 D HA 0.250 4.890 4.640 0.000 0.000 0.247 197 D C 0.764 177.101 176.300 0.062 0.000 1.147 197 D CA 1.595 55.654 54.000 0.097 0.000 0.879 197 D CB 0.469 41.341 40.800 0.120 0.000 1.179 197 D HN 0.564 nan 8.370 nan 0.000 0.456 198 G N 3.472 112.331 108.800 0.099 0.000 2.284 198 G HA2 -0.219 3.741 3.960 0.000 0.000 0.216 198 G HA3 -0.219 3.741 3.960 0.000 0.000 0.216 198 G C 0.053 175.027 174.900 0.124 0.000 1.009 198 G CA -0.049 45.106 45.100 0.092 0.000 0.625 198 G HN 0.622 nan 8.290 nan 0.000 0.501 199 D N 2.004 122.486 120.400 0.138 0.000 2.423 199 D HA 0.393 5.033 4.640 0.000 0.000 0.238 199 D C 1.155 177.640 176.300 0.310 0.000 1.142 199 D CA 0.361 54.459 54.000 0.163 0.000 0.884 199 D CB 0.484 41.325 40.800 0.068 0.000 1.199 199 D HN 0.120 nan 8.370 nan 0.000 0.438 200 M N 1.264 121.015 119.600 0.253 0.000 2.288 200 M HA 0.207 4.687 4.480 0.000 0.000 0.334 200 M C 0.334 176.819 176.300 0.309 0.000 1.150 200 M CA -0.827 54.618 55.300 0.243 0.000 1.118 200 M CB 1.199 33.903 32.600 0.172 0.000 1.501 200 M HN 0.169 nan 8.290 nan 0.000 0.462 201 V N -0.858 119.149 119.914 0.155 0.000 3.234 201 V HA 0.472 4.592 4.120 0.000 0.000 0.317 201 V C -0.208 175.988 176.094 0.170 0.000 1.081 201 V CA -1.054 61.318 62.300 0.120 0.000 1.037 201 V CB 1.158 32.884 31.823 -0.160 0.000 1.148 201 V HN 0.851 nan 8.190 nan 0.000 0.453 202 D N 1.117 121.653 120.400 0.227 0.000 2.417 202 D HA 0.202 4.842 4.640 0.000 0.000 0.250 202 D C 1.148 177.497 176.300 0.082 0.000 1.166 202 D CA 0.790 54.897 54.000 0.177 0.000 0.881 202 D CB 1.270 42.155 40.800 0.142 0.000 1.164 202 D HN 0.961 nan 8.370 nan 0.000 0.467 203 T N 0.592 115.135 114.554 -0.018 0.000 3.069 203 T HA 0.376 4.726 4.350 0.000 0.000 0.252 203 T C 1.365 176.065 174.700 -0.001 0.000 1.053 203 T CA 0.160 62.129 62.100 -0.218 0.000 0.964 203 T CB 0.345 68.606 68.868 -1.011 0.000 1.005 203 T HN 0.692 nan 8.240 nan 0.000 0.532 204 G N 0.446 109.283 108.800 0.061 0.000 2.205 204 G HA2 -0.178 3.782 3.960 0.000 0.000 0.180 204 G HA3 -0.178 3.782 3.960 0.000 0.000 0.180 204 G C 0.145 174.993 174.900 -0.087 0.000 1.004 204 G CA -0.196 44.897 45.100 -0.013 0.000 0.670 204 G HN 0.497 nan 8.290 nan 0.000 0.496 205 Y N 1.229 121.597 120.300 0.113 0.000 2.584 205 Y HA 0.473 5.023 4.550 0.000 0.000 0.254 205 Y C 1.540 177.627 175.900 0.312 0.000 1.177 205 Y CA 0.660 58.882 58.100 0.204 0.000 1.216 205 Y CB 0.979 39.538 38.460 0.165 0.000 1.172 205 Y HN 1.059 nan 8.280 nan 0.000 0.529 206 G N 0.816 109.810 108.800 0.322 0.000 2.730 206 G HA2 0.072 4.032 3.960 0.000 0.000 0.686 206 G HA3 0.072 4.032 3.960 0.000 0.000 0.686 206 G C -0.607 174.483 174.900 0.316 0.000 1.343 206 G CA -0.659 44.596 45.100 0.260 0.000 0.826 206 G HN 0.544 nan 8.290 nan 0.000 0.582 207 A N 1.434 124.409 122.820 0.257 0.000 2.621 207 A HA 0.785 5.105 4.320 0.000 0.000 0.329 207 A C 0.549 178.279 177.584 0.244 0.000 1.458 207 A CA 0.844 53.044 52.037 0.270 0.000 1.052 207 A CB -0.563 18.602 19.000 0.275 0.000 1.142 207 A HN 1.910 nan 8.150 nan 0.000 0.523 208 M N -0.244 119.368 119.600 0.019 0.000 2.755 208 M HA 0.559 5.039 4.480 0.000 0.000 0.273 208 M C -1.329 174.819 176.300 -0.253 0.000 1.278 208 M CA -0.884 54.368 55.300 -0.080 0.000 0.819 208 M CB 1.442 33.888 32.600 -0.257 0.000 1.694 208 M HN 0.187 nan 8.290 nan 0.000 0.460 209 D N 0.803 121.161 120.400 -0.070 0.000 2.522 209 D HA 0.322 4.962 4.640 0.000 0.000 0.218 209 D C 0.029 176.275 176.300 -0.090 0.000 1.149 209 D CA -0.249 53.741 54.000 -0.017 0.000 0.981 209 D CB -0.300 40.574 40.800 0.124 0.000 1.041 209 D HN 0.541 nan 8.370 nan 0.000 0.518 210 F N 1.042 121.046 119.950 0.091 0.000 2.287 210 F HA -0.202 4.325 4.527 0.000 0.000 0.301 210 F C 2.686 178.515 175.800 0.048 0.000 1.069 210 F CA 1.063 59.100 58.000 0.062 0.000 1.372 210 F CB -0.387 38.637 39.000 0.041 0.000 1.056 210 F HN 0.354 nan 8.300 nan 0.000 0.523 211 S N -1.103 114.714 115.700 0.196 0.000 2.453 211 S HA -0.124 4.346 4.470 0.000 0.000 0.231 211 S C 1.768 176.419 174.600 0.086 0.000 1.005 211 S CA 1.244 59.521 58.200 0.128 0.000 0.949 211 S CB -0.880 62.382 63.200 0.104 0.000 0.774 211 S HN 0.469 nan 8.310 nan 0.000 0.510 212 T N -2.375 112.222 114.554 0.072 0.000 2.985 212 T HA 0.399 4.749 4.350 0.000 0.000 0.254 212 T C 1.146 175.868 174.700 0.036 0.000 1.021 212 T CA -0.223 61.907 62.100 0.050 0.000 0.957 212 T CB -0.028 68.869 68.868 0.049 0.000 1.047 212 T HN 0.219 nan 8.240 nan 0.000 0.511 213 L N 0.620 121.861 121.223 0.030 0.000 2.556 213 L HA 0.476 4.816 4.340 0.000 0.000 0.226 213 L C 0.448 177.336 176.870 0.030 0.000 1.089 213 L CA 0.686 55.534 54.840 0.013 0.000 0.864 213 L CB 0.096 42.139 42.059 -0.027 0.000 1.067 213 L HN 0.327 nan 8.230 nan 0.000 0.477 214 Q N -0.617 119.222 119.800 0.064 0.000 2.363 214 Q HA 0.182 4.522 4.340 0.000 0.000 0.265 214 Q C -0.275 175.755 176.000 0.049 0.000 1.032 214 Q CA -0.292 55.550 55.803 0.066 0.000 0.746 214 Q CB 1.468 30.281 28.738 0.124 0.000 1.237 214 Q HN -0.004 nan 8.270 nan 0.000 0.475 215 D N 0.452 120.865 120.400 0.022 0.000 2.269 215 D HA -0.103 4.537 4.640 0.000 0.000 0.208 215 D C 1.277 177.578 176.300 0.002 0.000 0.963 215 D CA 1.180 55.187 54.000 0.012 0.000 0.864 215 D CB 0.373 41.173 40.800 0.000 0.000 0.936 215 D HN 0.443 nan 8.370 nan 0.000 0.505 216 T N 0.433 114.979 114.554 -0.013 0.000 2.746 216 T HA -0.137 4.213 4.350 0.000 0.000 0.267 216 T C 0.899 175.585 174.700 -0.024 0.000 1.039 216 T CA 0.961 63.038 62.100 -0.039 0.000 1.142 216 T CB -0.125 68.696 68.868 -0.078 0.000 0.866 216 T HN 0.179 nan 8.240 nan 0.000 0.444 217 K N -0.951 119.449 120.400 0.001 0.000 3.160 217 K HA -0.156 4.164 4.320 0.000 0.000 0.280 217 K C -0.172 176.434 176.600 0.011 0.000 1.154 217 K CA 0.481 56.794 56.287 0.043 0.000 0.822 217 K CB -2.299 30.245 32.500 0.073 0.000 1.239 217 K HN 0.476 nan 8.250 nan 0.000 0.489 218 C N -0.553 118.655 119.300 -0.154 0.000 3.613 218 C HA 0.147 4.607 4.460 0.000 0.000 0.277 218 C C 1.273 175.967 174.990 -0.494 0.000 2.235 218 C CA -0.755 58.003 59.018 -0.433 0.000 1.657 218 C CB 0.152 27.676 27.740 -0.359 0.000 3.412 218 C HN 0.320 nan 8.230 nan 0.000 0.432 219 E N 1.457 121.454 120.200 -0.338 0.000 2.415 219 E HA 0.146 4.496 4.350 0.000 0.000 0.197 219 E C 0.720 177.086 176.600 -0.390 0.000 1.007 219 E CA 0.829 57.004 56.400 -0.374 0.000 0.890 219 E CB 0.717 30.346 29.700 -0.119 0.000 0.891 219 E HN 0.646 nan 8.360 nan 0.000 0.496 220 V N -2.642 117.070 119.914 -0.337 0.000 3.159 220 V HA 0.544 4.664 4.120 0.000 0.000 0.308 220 V C -2.931 173.071 176.094 -0.153 0.000 1.190 220 V CA -3.042 58.990 62.300 -0.446 0.000 1.037 220 V CB 1.660 32.944 31.823 -0.898 0.000 1.060 220 V HN -0.289 nan 8.190 nan 0.000 0.437 221 P HA 0.050 nan 4.420 nan 0.000 0.269 221 P C 0.711 178.012 177.300 0.002 0.000 1.200 221 P CA 0.077 63.175 63.100 -0.004 0.000 0.779 221 P CB 0.350 32.057 31.700 0.012 0.000 0.841 222 L N 2.472 123.651 121.223 -0.074 0.000 2.042 222 L HA -0.220 4.120 4.340 0.000 0.000 0.210 222 L C 1.658 178.546 176.870 0.030 0.000 1.076 222 L CA 2.282 57.059 54.840 -0.104 0.000 0.749 222 L CB -1.476 40.438 42.059 -0.241 0.000 0.893 222 L HN 0.475 nan 8.230 nan 0.000 0.432 223 D N -0.977 119.465 120.400 0.069 0.000 2.310 223 D HA -0.175 4.465 4.640 0.000 0.000 0.212 223 D C 1.637 178.002 176.300 0.108 0.000 0.965 223 D CA 1.382 55.489 54.000 0.178 0.000 0.879 223 D CB -0.346 40.633 40.800 0.298 0.000 0.921 223 D HN 0.561 nan 8.370 nan 0.000 0.510 224 I N -2.965 117.605 120.570 0.001 0.000 4.081 224 I HA 0.294 4.464 4.170 0.000 0.000 0.333 224 I C 1.398 177.440 176.117 -0.124 0.000 1.413 224 I CA -0.609 60.645 61.300 -0.076 0.000 1.110 224 I CB -0.371 37.471 38.000 -0.263 0.000 1.082 224 I HN 0.072 nan 8.210 nan 0.000 0.402 225 C N 1.998 121.263 119.300 -0.058 0.000 2.393 225 C HA -0.152 4.309 4.460 0.000 0.000 0.276 225 C C 2.244 177.280 174.990 0.077 0.000 1.215 225 C CA 1.563 60.575 59.018 -0.010 0.000 1.743 225 C CB -0.615 27.158 27.740 0.056 0.000 2.044 225 C HN 0.657 nan 8.230 nan 0.000 0.464 226 Q N 0.356 120.214 119.800 0.097 0.000 2.157 226 Q HA 0.297 4.637 4.340 0.000 0.000 0.229 226 Q C 0.449 176.525 176.000 0.127 0.000 0.827 226 Q CA 0.039 55.911 55.803 0.115 0.000 1.055 226 Q CB 0.948 29.735 28.738 0.082 0.000 1.157 226 Q HN 0.664 nan 8.270 nan 0.000 0.482 227 S N -0.131 115.661 115.700 0.153 0.000 2.623 227 S HA 0.658 5.128 4.470 0.000 0.000 0.287 227 S C 0.135 174.850 174.600 0.193 0.000 1.123 227 S CA -0.515 57.772 58.200 0.146 0.000 1.016 227 S CB 1.057 64.337 63.200 0.133 0.000 1.233 227 S HN 0.142 nan 8.310 nan 0.000 0.512 228 I N 0.509 121.159 120.570 0.134 0.000 2.534 228 I HA 0.316 4.486 4.170 0.000 0.000 0.288 228 I C -1.304 174.872 176.117 0.097 0.000 1.077 228 I CA -0.272 61.070 61.300 0.069 0.000 1.051 228 I CB 1.572 39.488 38.000 -0.140 0.000 1.234 228 I HN 0.499 nan 8.210 nan 0.000 0.425 229 C N 5.856 125.274 119.300 0.197 0.000 2.265 229 C HA 0.464 4.924 4.460 0.000 0.000 0.332 229 C C 0.332 175.442 174.990 0.201 0.000 1.248 229 C CA -0.857 58.309 59.018 0.247 0.000 1.727 229 C CB -0.340 27.627 27.740 0.377 0.000 2.348 229 C HN 0.652 nan 8.230 nan 0.000 0.519 230 K N 1.935 122.469 120.400 0.224 0.000 2.166 230 K HA 0.557 4.877 4.320 0.000 0.000 0.245 230 K C -1.232 175.602 176.600 0.390 0.000 0.967 230 K CA -0.568 55.840 56.287 0.201 0.000 0.863 230 K CB 1.780 34.279 32.500 -0.001 0.000 1.107 230 K HN 0.616 nan 8.250 nan 0.000 0.436 231 Y N 1.599 121.988 120.300 0.148 0.000 2.391 231 Y HA 0.303 4.853 4.550 0.000 0.000 0.341 231 Y C -2.644 173.269 175.900 0.021 0.000 0.965 231 Y CA -2.649 55.556 58.100 0.175 0.000 1.067 231 Y CB 1.612 40.176 38.460 0.174 0.000 1.199 231 Y HN 0.412 nan 8.280 nan 0.000 0.450 232 P HA -0.070 nan 4.420 nan 0.000 0.263 232 P C -0.569 176.321 177.300 -0.682 0.000 1.175 232 P CA 0.589 63.238 63.100 -0.751 0.000 0.761 232 P CB 0.505 31.419 31.700 -1.309 0.000 0.794 233 D N 2.725 122.878 120.400 -0.413 0.000 2.741 233 D HA 0.040 4.680 4.640 0.000 0.000 0.233 233 D C 0.682 176.891 176.300 -0.152 0.000 1.160 233 D CA -0.254 53.631 54.000 -0.192 0.000 1.003 233 D CB -0.466 40.263 40.800 -0.118 0.000 1.064 233 D HN 0.294 nan 8.370 nan 0.000 0.503 234 Y N 0.393 120.638 120.300 -0.090 0.000 2.181 234 Y HA -0.273 4.277 4.550 0.000 0.000 0.284 234 Y C 2.332 178.215 175.900 -0.029 0.000 1.179 234 Y CA 0.947 59.008 58.100 -0.065 0.000 1.179 234 Y CB -0.212 38.211 38.460 -0.063 0.000 0.973 234 Y HN 0.276 nan 8.280 nan 0.000 0.519 235 L N -0.285 121.031 121.223 0.154 0.000 2.012 235 L HA -0.298 4.042 4.340 0.000 0.000 0.210 235 L C 2.680 179.578 176.870 0.047 0.000 1.073 235 L CA 2.060 56.955 54.840 0.091 0.000 0.748 235 L CB -0.616 41.493 42.059 0.084 0.000 0.891 235 L HN 0.300 nan 8.230 nan 0.000 0.431 236 Q N -0.068 119.744 119.800 0.020 0.000 2.119 236 Q HA -0.192 4.148 4.340 0.000 0.000 0.201 236 Q C 2.221 178.218 176.000 -0.005 0.000 0.972 236 Q CA 1.466 57.267 55.803 -0.003 0.000 0.847 236 Q CB -0.056 28.665 28.738 -0.027 0.000 0.903 236 Q HN 0.436 nan 8.270 nan 0.000 0.433 237 M N -0.203 119.389 119.600 -0.014 0.000 2.394 237 M HA -0.063 4.417 4.480 0.000 0.000 0.264 237 M C 1.833 178.144 176.300 0.019 0.000 1.073 237 M CA 0.988 56.279 55.300 -0.015 0.000 1.111 237 M CB 0.248 32.817 32.600 -0.051 0.000 1.401 237 M HN 0.182 nan 8.290 nan 0.000 0.448 238 S N 0.373 116.093 115.700 0.033 0.000 2.425 238 S HA 0.094 4.564 4.470 0.000 0.000 0.225 238 S C 1.965 176.577 174.600 0.020 0.000 1.024 238 S CA 0.911 59.132 58.200 0.034 0.000 0.951 238 S CB -0.034 63.190 63.200 0.041 0.000 0.796 238 S HN 0.535 nan 8.310 nan 0.000 0.498 239 A N 1.233 124.065 122.820 0.020 0.000 2.119 239 A HA 0.094 4.414 4.320 0.000 0.000 0.216 239 A C 0.716 178.309 177.584 0.014 0.000 1.152 239 A CA 0.105 52.150 52.037 0.014 0.000 0.708 239 A CB -0.416 18.591 19.000 0.013 0.000 0.805 239 A HN 0.412 nan 8.150 nan 0.000 0.460 240 D N 0.681 121.095 120.400 0.023 0.000 2.533 240 D HA 0.044 4.684 4.640 0.000 0.000 0.236 240 D C -0.576 175.749 176.300 0.041 0.000 1.137 240 D CA -0.758 53.263 54.000 0.036 0.000 0.867 240 D CB 0.924 41.758 40.800 0.057 0.000 1.170 240 D HN 0.148 nan 8.370 nan 0.000 0.474 241 P HA -0.234 nan 4.420 nan 0.000 0.212 241 P C 1.012 178.300 177.300 -0.020 0.000 1.178 241 P CA 1.581 64.628 63.100 -0.088 0.000 0.915 241 P CB -0.123 31.402 31.700 -0.290 0.000 0.788 242 Y N -0.259 120.148 120.300 0.179 0.000 2.220 242 Y HA 0.137 4.687 4.550 0.000 0.000 0.291 242 Y C 1.941 178.005 175.900 0.274 0.000 1.129 242 Y CA 1.102 59.345 58.100 0.238 0.000 1.161 242 Y CB -0.874 37.690 38.460 0.172 0.000 0.997 242 Y HN 0.129 nan 8.280 nan 0.000 0.522 243 G N 0.519 109.518 108.800 0.331 0.000 2.248 243 G HA2 -0.236 3.724 3.960 0.000 0.000 0.263 243 G HA3 -0.236 3.724 3.960 0.000 0.000 0.263 243 G C 0.086 175.153 174.900 0.277 0.000 1.082 243 G CA 0.416 45.666 45.100 0.251 0.000 0.863 243 G HN 0.376 nan 8.290 nan 0.000 0.495 244 D N -0.040 120.513 120.400 0.255 0.000 2.354 244 D HA 0.079 4.719 4.640 0.000 0.000 0.209 244 D C 2.337 178.645 176.300 0.012 0.000 1.015 244 D CA 0.926 55.064 54.000 0.229 0.000 0.867 244 D CB 0.090 41.052 40.800 0.270 0.000 0.933 244 D HN 0.400 nan 8.370 nan 0.000 0.520 245 S N 0.524 116.216 115.700 -0.014 0.000 2.383 245 S HA -0.074 4.396 4.470 0.000 0.000 0.227 245 S C 1.128 175.616 174.600 -0.185 0.000 1.026 245 S CA 0.746 58.876 58.200 -0.117 0.000 0.981 245 S CB -0.122 63.031 63.200 -0.077 0.000 0.818 245 S HN 0.436 nan 8.310 nan 0.000 0.472 246 M N -0.535 118.971 119.600 -0.158 0.000 2.355 246 M HA 0.402 4.882 4.480 0.000 0.000 0.232 246 M C -1.217 175.054 176.300 -0.048 0.000 0.988 246 M CA -0.653 54.534 55.300 -0.187 0.000 0.931 246 M CB 0.529 33.084 32.600 -0.074 0.000 2.294 246 M HN -0.002 nan 8.290 nan 0.000 0.459 247 F N 1.088 121.137 119.950 0.166 0.000 2.708 247 F HA 0.756 5.283 4.527 0.000 0.000 0.300 247 F C -0.945 175.015 175.800 0.267 0.000 1.118 247 F CA -1.361 56.743 58.000 0.173 0.000 1.307 247 F CB -0.087 39.007 39.000 0.157 0.000 0.986 247 F HN 0.500 nan 8.300 nan 0.000 0.522 248 F N 1.264 121.360 119.950 0.243 0.000 2.652 248 F HA 0.513 5.040 4.527 0.000 0.000 0.320 248 F C -1.851 174.004 175.800 0.091 0.000 1.115 248 F CA -1.675 56.439 58.000 0.189 0.000 1.053 248 F CB 1.002 40.160 39.000 0.262 0.000 1.297 248 F HN 0.118 nan 8.300 nan 0.000 0.471 249 C N 7.842 126.804 119.300 -0.563 0.000 2.752 249 C HA 0.865 5.325 4.460 0.000 0.000 0.360 249 C C -2.321 172.377 174.990 -0.487 0.000 1.081 249 C CA -0.551 58.260 59.018 -0.344 0.000 1.272 249 C CB 0.326 28.022 27.740 -0.073 0.000 1.754 249 C HN 0.784 nan 8.230 nan 0.000 0.483 250 L N 6.388 127.394 121.223 -0.361 0.000 2.409 250 L HA 0.804 5.145 4.340 0.000 0.000 0.272 250 L C -0.052 176.733 176.870 -0.142 0.000 0.980 250 L CA -0.083 54.560 54.840 -0.328 0.000 0.826 250 L CB 1.844 43.641 42.059 -0.437 0.000 1.268 250 L HN 0.893 nan 8.230 nan 0.000 0.407 251 R N 2.234 122.656 120.500 -0.131 0.000 2.771 251 R HA 0.950 5.290 4.340 0.000 0.000 0.274 251 R C -1.023 175.239 176.300 -0.062 0.000 0.987 251 R CA -1.101 54.969 56.100 -0.051 0.000 0.908 251 R CB 2.253 32.524 30.300 -0.049 0.000 1.213 251 R HN 0.493 nan 8.270 nan 0.000 0.468 252 R N 1.432 121.925 120.500 -0.012 0.000 2.792 252 R HA 0.146 4.486 4.340 0.000 0.000 0.285 252 R C -1.668 174.657 176.300 0.042 0.000 1.207 252 R CA -0.321 55.775 56.100 -0.008 0.000 1.091 252 R CB 1.376 31.649 30.300 -0.044 0.000 1.263 252 R HN 0.988 nan 8.270 nan 0.000 0.403 253 E N 3.884 124.121 120.200 0.061 0.000 2.369 253 E HA 0.489 4.839 4.350 0.000 0.000 0.270 253 E C -1.450 175.198 176.600 0.079 0.000 0.909 253 E CA -1.051 55.404 56.400 0.092 0.000 0.775 253 E CB 2.700 32.480 29.700 0.133 0.000 1.270 253 E HN 0.596 nan 8.360 nan 0.000 0.445 254 Q N 0.949 120.805 119.800 0.094 0.000 2.594 254 Q HA 0.561 4.901 4.340 0.000 0.000 0.278 254 Q C -1.401 174.671 176.000 0.120 0.000 0.961 254 Q CA -1.136 54.724 55.803 0.095 0.000 0.844 254 Q CB 1.616 30.406 28.738 0.086 0.000 1.475 254 Q HN 0.615 nan 8.270 nan 0.000 0.389 255 L N -1.498 119.807 121.223 0.136 0.000 3.119 255 L HA 0.875 5.215 4.340 0.000 0.000 0.283 255 L C -1.761 175.257 176.870 0.247 0.000 1.028 255 L CA -0.836 54.099 54.840 0.157 0.000 0.975 255 L CB 0.570 42.673 42.059 0.072 0.000 1.543 255 L HN 1.129 nan 8.230 nan 0.000 0.390 256 F N -1.099 118.861 119.950 0.017 0.000 2.719 256 F HA 0.893 5.420 4.527 0.000 0.000 0.309 256 F C -0.901 174.903 175.800 0.007 0.000 1.138 256 F CA -0.575 57.430 58.000 0.007 0.000 0.943 256 F CB 1.010 40.010 39.000 0.000 0.000 1.304 256 F HN 0.928 nan 8.300 nan 0.000 0.445 257 A N 2.891 125.755 122.820 0.073 0.000 2.347 257 A HA 0.544 4.864 4.320 0.000 0.000 0.287 257 A C 0.896 178.409 177.584 -0.119 0.000 1.199 257 A CA -0.245 51.787 52.037 -0.009 0.000 0.851 257 A CB 0.580 19.741 19.000 0.269 0.000 1.118 257 A HN 0.946 nan 8.150 nan 0.000 0.525 258 R N 1.875 122.137 120.500 -0.397 0.000 2.052 258 R HA 0.096 4.436 4.340 0.000 0.000 0.224 258 R C -0.148 175.775 176.300 -0.630 0.000 1.149 258 R CA 1.524 57.382 56.100 -0.402 0.000 0.962 258 R CB -0.145 29.970 30.300 -0.308 0.000 0.856 258 R HN 0.839 nan 8.270 nan 0.000 0.433 259 H N -1.895 116.850 119.070 -0.542 0.000 2.747 259 H HA 0.391 4.947 4.556 0.000 0.000 0.371 259 H C -1.257 173.665 175.328 -0.677 0.000 1.161 259 H CA -0.613 54.941 56.048 -0.824 0.000 1.167 259 H CB 1.544 30.658 29.762 -1.080 0.000 1.732 259 H HN 0.007 nan 8.280 nan 0.000 0.544 260 F N 2.052 121.668 119.950 -0.557 0.000 2.411 260 F HA 0.303 4.830 4.527 0.000 0.000 0.352 260 F C -0.509 175.153 175.800 -0.229 0.000 1.123 260 F CA -0.770 57.034 58.000 -0.328 0.000 1.044 260 F CB 1.260 40.166 39.000 -0.156 0.000 1.135 260 F HN 0.206 nan 8.300 nan 0.000 0.461 261 W N 1.412 122.931 121.300 0.365 0.000 2.967 261 W HA 0.350 5.010 4.660 0.000 0.000 0.342 261 W C -0.704 175.977 176.519 0.271 0.000 1.162 261 W CA -1.060 56.459 57.345 0.289 0.000 1.085 261 W CB 1.351 30.968 29.460 0.263 0.000 1.460 261 W HN 0.410 nan 8.180 nan 0.000 0.584 262 N N 0.238 119.212 118.700 0.458 0.000 2.518 262 N HA 0.497 5.237 4.740 0.000 0.000 0.284 262 N C -0.816 174.755 175.510 0.102 0.000 1.230 262 N CA -0.648 52.512 53.050 0.184 0.000 0.941 262 N CB 1.282 39.842 38.487 0.122 0.000 1.219 262 N HN -0.041 nan 8.380 nan 0.000 0.560 263 R N 0.809 121.298 120.500 -0.019 0.000 2.534 263 R HA 0.448 4.788 4.340 0.000 0.000 0.301 263 R C -0.990 175.270 176.300 -0.068 0.000 0.961 263 R CA -0.645 55.426 56.100 -0.049 0.000 0.871 263 R CB 1.445 31.708 30.300 -0.062 0.000 1.170 263 R HN 0.592 nan 8.270 nan 0.000 0.446 264 A N 1.158 123.934 122.820 -0.074 0.000 2.371 264 A HA 0.723 5.043 4.320 0.000 0.000 0.257 264 A C 0.471 178.013 177.584 -0.070 0.000 1.089 264 A CA 0.618 52.615 52.037 -0.067 0.000 0.794 264 A CB 0.497 19.456 19.000 -0.068 0.000 1.029 264 A HN 0.859 nan 8.150 nan 0.000 0.488 265 G N -0.170 108.594 108.800 -0.060 0.000 2.355 265 G HA2 0.465 4.425 3.960 0.000 0.000 0.619 265 G HA3 0.465 4.425 3.960 0.000 0.000 0.619 265 G C -0.251 174.618 174.900 -0.052 0.000 1.337 265 G CA -0.123 44.943 45.100 -0.056 0.000 0.993 265 G HN 1.950 nan 8.290 nan 0.000 0.599 266 T N -0.857 113.671 114.554 -0.045 0.000 2.910 266 T HA 0.600 4.950 4.350 0.000 0.000 0.293 266 T C 0.835 175.509 174.700 -0.043 0.000 1.015 266 T CA -0.593 61.483 62.100 -0.040 0.000 1.094 266 T CB 1.010 69.860 68.868 -0.031 0.000 0.968 266 T HN 0.593 nan 8.240 nan 0.000 0.521 267 M N 3.292 122.866 119.600 -0.043 0.000 2.143 267 M HA 0.242 4.722 4.480 0.000 0.000 0.348 267 M C 1.652 177.933 176.300 -0.031 0.000 1.375 267 M CA -0.425 54.849 55.300 -0.044 0.000 1.124 267 M CB 0.250 32.821 32.600 -0.048 0.000 1.669 267 M HN 1.087 nan 8.290 nan 0.000 0.469 268 G N 3.559 112.341 108.800 -0.031 0.000 2.484 268 G HA2 -0.100 3.860 3.960 0.000 0.000 0.215 268 G HA3 -0.100 3.860 3.960 0.000 0.000 0.215 268 G C 0.265 175.155 174.900 -0.017 0.000 1.219 268 G CA 0.369 45.455 45.100 -0.023 0.000 0.791 268 G HN 0.622 nan 8.290 nan 0.000 0.550 269 D N 1.132 121.521 120.400 -0.018 0.000 2.264 269 D HA 0.342 4.982 4.640 0.000 0.000 0.250 269 D C -0.120 176.178 176.300 -0.003 0.000 1.113 269 D CA 0.216 54.210 54.000 -0.010 0.000 0.871 269 D CB 1.341 42.135 40.800 -0.011 0.000 1.167 269 D HN 0.006 nan 8.370 nan 0.000 0.447 270 T N 0.699 115.258 114.554 0.009 0.000 2.817 270 T HA 0.206 4.556 4.350 0.000 0.000 0.293 270 T C 0.677 175.406 174.700 0.048 0.000 0.964 270 T CA -0.752 61.362 62.100 0.024 0.000 1.085 270 T CB 1.186 70.072 68.868 0.031 0.000 0.921 270 T HN 0.031 nan 8.240 nan 0.000 0.502 271 V N 6.211 126.164 119.914 0.065 0.000 2.458 271 V HA 0.096 4.216 4.120 0.000 0.000 0.287 271 V C -1.801 174.415 176.094 0.204 0.000 1.009 271 V CA -1.342 61.028 62.300 0.117 0.000 1.091 271 V CB -0.523 31.353 31.823 0.088 0.000 0.960 271 V HN 0.753 nan 8.190 nan 0.000 0.476 272 P HA 0.014 nan 4.420 nan 0.000 0.261 272 P C 0.860 178.196 177.300 0.060 0.000 1.183 272 P CA 0.101 63.253 63.100 0.086 0.000 0.761 272 P CB 0.420 32.152 31.700 0.053 0.000 0.785 273 Q N 1.837 121.601 119.800 -0.059 0.000 2.234 273 Q HA -0.141 4.199 4.340 0.000 0.000 0.206 273 Q C 1.527 177.326 176.000 -0.334 0.000 0.980 273 Q CA 1.939 57.550 55.803 -0.319 0.000 0.869 273 Q CB -0.384 28.225 28.738 -0.216 0.000 0.912 273 Q HN 0.599 nan 8.270 nan 0.000 0.436 274 S N -0.820 114.794 115.700 -0.145 0.000 2.660 274 S HA 0.050 4.520 4.470 0.000 0.000 0.228 274 S C 1.427 175.992 174.600 -0.058 0.000 0.966 274 S CA 0.172 58.312 58.200 -0.100 0.000 0.940 274 S CB -0.112 63.059 63.200 -0.049 0.000 0.773 274 S HN 0.284 nan 8.310 nan 0.000 0.535 275 L N 0.404 121.609 121.223 -0.030 0.000 2.808 275 L HA 0.439 4.779 4.340 0.000 0.000 0.246 275 L C -0.148 176.853 176.870 0.218 0.000 1.153 275 L CA -0.510 54.391 54.840 0.102 0.000 0.956 275 L CB 0.081 42.242 42.059 0.169 0.000 1.270 275 L HN 0.604 nan 8.230 nan 0.000 0.528 276 Y N -2.858 117.448 120.300 0.011 0.000 2.779 276 Y HA 0.577 5.127 4.550 0.000 0.000 0.340 276 Y C -1.307 174.599 175.900 0.011 0.000 1.252 276 Y CA -1.657 56.450 58.100 0.013 0.000 1.072 276 Y CB 0.833 39.303 38.460 0.017 0.000 1.343 276 Y HN -0.310 nan 8.280 nan 0.000 0.450 277 I N 2.510 123.191 120.570 0.184 0.000 2.355 277 I HA 0.355 4.525 4.170 0.000 0.000 0.288 277 I C -0.103 176.126 176.117 0.187 0.000 0.999 277 I CA -1.395 59.949 61.300 0.073 0.000 1.163 277 I CB 1.145 39.181 38.000 0.060 0.000 1.316 277 I HN 0.657 nan 8.210 nan 0.000 0.454 278 K N 3.155 123.626 120.400 0.118 0.000 2.494 278 K HA 0.293 4.613 4.320 0.000 0.000 0.273 278 K C 0.694 177.364 176.600 0.117 0.000 0.970 278 K CA 0.242 56.637 56.287 0.179 0.000 0.963 278 K CB 0.817 33.377 32.500 0.098 0.000 0.913 278 K HN 0.900 nan 8.250 nan 0.000 0.502 279 G N 0.232 109.096 108.800 0.108 0.000 3.212 279 G HA2 0.513 4.473 3.960 0.000 0.000 0.188 279 G HA3 0.513 4.473 3.960 0.000 0.000 0.188 279 G C -0.830 174.102 174.900 0.053 0.000 1.254 279 G CA -0.405 44.736 45.100 0.068 0.000 0.957 279 G HN 0.613 nan 8.290 nan 0.000 0.596 280 T N -3.594 110.984 114.554 0.040 0.000 2.887 280 T HA 0.713 5.063 4.350 0.000 0.000 0.292 280 T C 0.779 175.495 174.700 0.026 0.000 1.087 280 T CA 0.521 62.640 62.100 0.031 0.000 1.009 280 T CB 1.298 70.180 68.868 0.025 0.000 1.203 280 T HN 2.371 nan 8.240 nan 0.000 0.518 281 G N 1.607 110.420 108.800 0.022 0.000 2.564 281 G HA2 -0.334 3.626 3.960 0.000 0.000 0.273 281 G HA3 -0.334 3.626 3.960 0.000 0.000 0.273 281 G C 0.967 175.878 174.900 0.017 0.000 1.242 281 G CA 1.048 46.159 45.100 0.018 0.000 0.951 281 G HN 1.628 nan 8.290 nan 0.000 0.564 282 M N -0.715 118.894 119.600 0.015 0.000 2.144 282 M HA 0.030 4.510 4.480 0.000 0.000 0.260 282 M C 2.202 178.509 176.300 0.012 0.000 1.067 282 M CA 2.594 57.901 55.300 0.012 0.000 1.095 282 M CB -0.320 32.287 32.600 0.011 0.000 1.365 282 M HN 0.416 nan 8.290 nan 0.000 0.406 283 R N 0.806 121.316 120.500 0.017 0.000 2.343 283 R HA 0.174 4.514 4.340 0.000 0.000 0.202 283 R C 2.018 178.338 176.300 0.033 0.000 1.023 283 R CA 0.376 56.487 56.100 0.019 0.000 1.084 283 R CB -0.273 30.042 30.300 0.026 0.000 0.956 283 R HN 0.624 nan 8.270 nan 0.000 0.478 284 A N 0.008 122.849 122.820 0.034 0.000 1.898 284 A HA -0.014 4.306 4.320 0.000 0.000 0.214 284 A C 1.135 178.761 177.584 0.071 0.000 1.183 284 A CA 0.855 52.923 52.037 0.053 0.000 0.622 284 A CB 0.183 19.206 19.000 0.039 0.000 0.824 284 A HN 0.215 nan 8.150 nan 0.000 0.444 285 S N 0.314 116.035 115.700 0.036 0.000 2.503 285 S HA 0.569 5.039 4.470 0.000 0.000 0.301 285 S C -2.862 171.707 174.600 -0.052 0.000 1.087 285 S CA -1.778 56.437 58.200 0.025 0.000 1.042 285 S CB 1.205 64.418 63.200 0.022 0.000 1.043 285 S HN 0.240 nan 8.310 nan 0.000 0.489 286 P HA 0.245 nan 4.420 nan 0.000 0.269 286 P C 0.502 177.729 177.300 -0.122 0.000 1.209 286 P CA -0.166 62.794 63.100 -0.234 0.000 0.776 286 P CB 0.343 31.775 31.700 -0.445 0.000 0.876 287 G N 1.176 109.917 108.800 -0.099 0.000 2.666 287 G HA2 0.192 4.152 3.960 0.000 0.000 0.207 287 G HA3 0.192 4.152 3.960 0.000 0.000 0.207 287 G C -0.244 174.602 174.900 -0.091 0.000 1.481 287 G CA -0.378 44.681 45.100 -0.068 0.000 1.071 287 G HN 0.596 nan 8.290 nan 0.000 0.572 288 S N -1.882 113.758 115.700 -0.099 0.000 2.548 288 S HA 0.250 4.720 4.470 0.000 0.000 0.277 288 S C 0.282 174.710 174.600 -0.286 0.000 1.315 288 S CA -0.614 57.489 58.200 -0.162 0.000 1.050 288 S CB 0.198 63.306 63.200 -0.153 0.000 0.918 288 S HN 0.521 nan 8.310 nan 0.000 0.497 289 C N 4.752 123.853 119.300 -0.331 0.000 2.969 289 C HA 0.369 4.829 4.460 0.000 0.000 0.260 289 C C -0.345 174.323 174.990 -0.537 0.000 1.618 289 C CA -0.692 58.060 59.018 -0.444 0.000 1.774 289 C CB -1.151 26.512 27.740 -0.127 0.000 3.063 289 C HN 0.620 nan 8.230 nan 0.000 0.506 290 V N 1.885 121.459 119.914 -0.566 0.000 2.275 290 V HA 0.354 4.474 4.120 0.000 0.000 0.272 290 V C -0.752 175.131 176.094 -0.352 0.000 1.028 290 V CA -0.305 61.803 62.300 -0.320 0.000 0.810 290 V CB -0.333 31.395 31.823 -0.158 0.000 1.043 290 V HN 0.442 nan 8.190 nan 0.000 0.453 291 Y N 2.134 122.454 120.300 0.033 0.000 2.352 291 Y HA 0.694 5.244 4.550 0.000 0.000 0.326 291 Y C 0.732 176.671 175.900 0.066 0.000 1.166 291 Y CA -0.624 57.510 58.100 0.057 0.000 1.182 291 Y CB 2.022 40.484 38.460 0.002 0.000 1.216 291 Y HN 0.623 nan 8.280 nan 0.000 0.474 292 S N 2.613 118.485 115.700 0.287 0.000 2.614 292 S HA 0.575 5.045 4.470 0.000 0.000 0.275 292 S C -3.336 171.412 174.600 0.247 0.000 1.161 292 S CA -1.501 56.836 58.200 0.229 0.000 0.969 292 S CB 2.344 65.707 63.200 0.271 0.000 1.059 292 S HN 0.391 nan 8.310 nan 0.000 0.482 293 P HA 0.418 nan 4.420 nan 0.000 0.287 293 P C -0.474 176.812 177.300 -0.024 0.000 1.270 293 P CA -0.530 62.599 63.100 0.050 0.000 0.844 293 P CB 1.458 33.162 31.700 0.006 0.000 1.068 294 S N 2.213 117.853 115.700 -0.099 0.000 2.513 294 S HA 0.435 4.905 4.470 0.000 0.000 0.276 294 S C -2.006 172.489 174.600 -0.176 0.000 1.254 294 S CA -1.293 56.872 58.200 -0.057 0.000 1.053 294 S CB 0.219 63.392 63.200 -0.044 0.000 0.958 294 S HN 0.350 nan 8.310 nan 0.000 0.491 295 P HA 0.357 nan 4.420 nan 0.000 0.275 295 P C -0.524 176.638 177.300 -0.230 0.000 1.266 295 P CA -0.478 62.502 63.100 -0.200 0.000 0.793 295 P CB 0.947 32.571 31.700 -0.126 0.000 1.074 296 S N -0.959 114.566 115.700 -0.291 0.000 2.581 296 S HA 0.479 4.949 4.470 0.000 0.000 0.306 296 S C -0.716 173.777 174.600 -0.179 0.000 1.080 296 S CA -0.626 57.375 58.200 -0.333 0.000 0.925 296 S CB -0.198 62.559 63.200 -0.739 0.000 1.128 296 S HN 0.671 nan 8.310 nan 0.000 0.451 297 G N 2.748 111.572 108.800 0.040 0.000 2.338 297 G HA2 0.506 4.466 3.960 0.000 0.000 0.298 297 G HA3 0.506 4.466 3.960 0.000 0.000 0.298 297 G C 0.541 175.578 174.900 0.228 0.000 1.140 297 G CA -0.048 45.146 45.100 0.156 0.000 0.860 297 G HN 0.785 nan 8.290 nan 0.000 0.470 298 S N 1.489 117.377 115.700 0.314 0.000 2.278 298 S HA 0.161 4.631 4.470 0.000 0.000 0.218 298 S C 1.098 175.788 174.600 0.151 0.000 1.345 298 S CA -0.402 57.964 58.200 0.276 0.000 1.006 298 S CB -0.211 63.078 63.200 0.149 0.000 0.811 298 S HN 0.398 nan 8.310 nan 0.000 0.459 299 I N 0.985 121.609 120.570 0.089 0.000 2.710 299 I HA 0.118 4.288 4.170 0.000 0.000 0.286 299 I C -0.081 176.074 176.117 0.064 0.000 1.181 299 I CA 0.255 61.593 61.300 0.062 0.000 1.430 299 I CB 0.790 38.808 38.000 0.031 0.000 1.367 299 I HN 0.201 nan 8.210 nan 0.000 0.577 300 V N 6.685 126.634 119.914 0.059 0.000 2.357 300 V HA 0.545 4.665 4.120 0.000 0.000 0.284 300 V C -0.209 175.909 176.094 0.040 0.000 1.018 300 V CA 0.082 62.416 62.300 0.056 0.000 0.841 300 V CB 1.563 33.425 31.823 0.064 0.000 0.991 300 V HN 0.852 nan 8.190 nan 0.000 0.437 301 T N 3.089 117.662 114.554 0.032 0.000 2.916 301 T HA 0.406 4.756 4.350 0.000 0.000 0.292 301 T C 1.192 175.904 174.700 0.019 0.000 1.055 301 T CA 0.160 62.273 62.100 0.022 0.000 1.009 301 T CB 1.948 70.825 68.868 0.015 0.000 1.118 301 T HN 1.025 nan 8.240 nan 0.000 0.497 302 S N 1.560 117.268 115.700 0.014 0.000 2.428 302 S HA -0.052 4.418 4.470 0.000 0.000 0.230 302 S C 1.261 175.864 174.600 0.005 0.000 1.014 302 S CA 0.816 59.023 58.200 0.012 0.000 0.957 302 S CB -0.334 62.871 63.200 0.009 0.000 0.784 302 S HN 0.774 nan 8.310 nan 0.000 0.499 303 D N 2.571 122.974 120.400 0.004 0.000 2.182 303 D HA -0.072 4.569 4.640 0.000 0.000 0.201 303 D C 1.576 177.874 176.300 -0.002 0.000 0.986 303 D CA 1.627 55.627 54.000 -0.000 0.000 0.847 303 D CB -0.319 40.481 40.800 -0.000 0.000 0.942 303 D HN 0.697 nan 8.370 nan 0.000 0.467 304 S N -0.279 115.420 115.700 -0.001 0.000 2.561 304 S HA 0.162 4.632 4.470 0.000 0.000 0.245 304 S C 0.491 175.078 174.600 -0.021 0.000 1.001 304 S CA -0.639 57.556 58.200 -0.008 0.000 1.002 304 S CB 0.564 63.763 63.200 -0.002 0.000 0.805 304 S HN -0.096 nan 8.310 nan 0.000 0.458 305 Q N 0.970 120.759 119.800 -0.018 0.000 2.373 305 Q HA 0.466 4.806 4.340 0.000 0.000 0.255 305 Q C 0.364 176.315 176.000 -0.080 0.000 0.980 305 Q CA -0.220 55.563 55.803 -0.033 0.000 0.882 305 Q CB 1.100 29.840 28.738 0.004 0.000 1.249 305 Q HN 0.388 nan 8.270 nan 0.000 0.438 306 L N 2.618 123.708 121.223 -0.222 0.000 2.638 306 L HA 0.420 4.760 4.340 0.000 0.000 0.232 306 L C -0.677 175.995 176.870 -0.330 0.000 1.099 306 L CA 0.398 55.038 54.840 -0.334 0.000 0.883 306 L CB 0.275 41.965 42.059 -0.615 0.000 1.136 306 L HN 0.615 nan 8.230 nan 0.000 0.492 307 F N -1.002 119.007 119.950 0.099 0.000 2.611 307 F HA 0.310 4.837 4.527 0.000 0.000 0.374 307 F C 1.374 177.160 175.800 -0.023 0.000 1.110 307 F CA -0.805 57.234 58.000 0.066 0.000 1.090 307 F CB 0.414 39.436 39.000 0.036 0.000 1.388 307 F HN -0.149 nan 8.300 nan 0.000 0.501 308 N N -0.593 118.213 118.700 0.177 0.000 2.778 308 N HA -0.222 4.518 4.740 0.000 0.000 0.249 308 N C -1.100 174.364 175.510 -0.077 0.000 1.069 308 N CA 0.679 53.737 53.050 0.014 0.000 0.831 308 N CB -0.753 37.742 38.487 0.015 0.000 1.142 308 N HN 0.392 nan 8.380 nan 0.000 0.573 309 K N 0.329 120.641 120.400 -0.146 0.000 2.318 309 K HA 0.504 4.824 4.320 0.000 0.000 0.249 309 K C -2.592 173.658 176.600 -0.584 0.000 0.942 309 K CA -1.661 54.418 56.287 -0.347 0.000 0.808 309 K CB 2.198 34.443 32.500 -0.425 0.000 1.189 309 K HN -0.140 nan 8.250 nan 0.000 0.428 310 P HA 0.230 nan 4.420 nan 0.000 0.282 310 P C -1.420 175.156 177.300 -1.207 0.000 1.259 310 P CA -0.408 62.187 63.100 -0.841 0.000 0.826 310 P CB 0.718 31.942 31.700 -0.793 0.000 1.064 311 Y N -0.440 119.360 120.300 -0.833 0.000 2.421 311 Y HA 0.357 4.907 4.550 0.000 0.000 0.339 311 Y C -0.571 174.888 175.900 -0.736 0.000 0.996 311 Y CA -0.561 57.157 58.100 -0.637 0.000 1.046 311 Y CB 1.788 40.153 38.460 -0.159 0.000 1.226 311 Y HN 0.351 nan 8.280 nan 0.000 0.445 312 W N 4.736 126.153 121.300 0.194 0.000 2.429 312 W HA 0.617 5.277 4.660 0.000 0.000 0.314 312 W C -0.916 175.738 176.519 0.224 0.000 1.062 312 W CA -0.930 56.499 57.345 0.140 0.000 1.211 312 W CB 0.898 30.448 29.460 0.149 0.000 1.305 312 W HN 0.285 nan 8.180 nan 0.000 0.476 313 L N 5.765 127.171 121.223 0.305 0.000 2.399 313 L HA 0.106 4.446 4.340 0.000 0.000 0.257 313 L C 1.809 178.824 176.870 0.242 0.000 1.236 313 L CA -0.624 54.367 54.840 0.251 0.000 1.144 313 L CB -0.786 41.299 42.059 0.042 0.000 1.379 313 L HN 0.664 nan 8.230 nan 0.000 0.414 314 H N 1.443 120.647 119.070 0.223 0.000 2.290 314 H HA -0.038 4.518 4.556 0.000 0.000 0.298 314 H C -0.033 175.371 175.328 0.126 0.000 1.087 314 H CA 0.874 57.024 56.048 0.170 0.000 1.291 314 H CB -0.056 29.805 29.762 0.165 0.000 1.369 314 H HN 0.400 nan 8.280 nan 0.000 0.492 315 K N 0.330 120.314 120.400 -0.693 0.000 2.656 315 K HA 0.573 4.893 4.320 0.000 0.000 0.253 315 K C -0.832 175.568 176.600 -0.332 0.000 1.002 315 K CA 0.019 56.093 56.287 -0.355 0.000 0.880 315 K CB 2.822 35.218 32.500 -0.174 0.000 1.232 315 K HN 0.452 nan 8.250 nan 0.000 0.456 316 A N 1.771 124.525 122.820 -0.109 0.000 2.521 316 A HA -0.060 4.260 4.320 0.000 0.000 0.237 316 A C 1.245 178.855 177.584 0.043 0.000 1.087 316 A CA 0.430 52.489 52.037 0.035 0.000 0.777 316 A CB 0.256 19.331 19.000 0.124 0.000 1.035 316 A HN 0.876 nan 8.150 nan 0.000 0.510 317 Q N 1.030 120.888 119.800 0.095 0.000 2.137 317 Q HA 0.237 4.577 4.340 0.000 0.000 0.198 317 Q C 1.059 177.081 176.000 0.037 0.000 0.960 317 Q CA 1.300 57.139 55.803 0.059 0.000 0.847 317 Q CB -0.720 28.056 28.738 0.062 0.000 0.915 317 Q HN 0.814 nan 8.270 nan 0.000 0.448 318 G N -0.621 108.231 108.800 0.086 0.000 2.504 318 G HA2 0.145 4.105 3.960 0.000 0.000 0.257 318 G HA3 0.145 4.105 3.960 0.000 0.000 0.257 318 G C -0.208 174.727 174.900 0.059 0.000 1.451 318 G CA -0.085 45.044 45.100 0.048 0.000 1.059 318 G HN 0.442 nan 8.290 nan 0.000 0.550 319 H N -1.074 118.111 119.070 0.191 0.000 2.525 319 H HA 0.095 4.651 4.556 0.000 0.000 0.275 319 H C 0.743 176.214 175.328 0.237 0.000 0.984 319 H CA -0.106 56.064 56.048 0.204 0.000 1.264 319 H CB 0.417 30.322 29.762 0.239 0.000 1.432 319 H HN 0.234 nan 8.280 nan 0.000 0.549 320 N N 1.348 120.296 118.700 0.414 0.000 2.444 320 N HA -0.070 4.670 4.740 0.000 0.000 0.271 320 N C -0.752 174.886 175.510 0.212 0.000 1.069 320 N CA 0.091 53.363 53.050 0.371 0.000 0.965 320 N CB 0.529 39.323 38.487 0.512 0.000 1.092 320 N HN 0.229 nan 8.380 nan 0.000 0.476 321 N N 2.860 121.581 118.700 0.034 0.000 3.131 321 N HA 0.159 4.899 4.740 0.000 0.000 0.312 321 N C 0.461 175.762 175.510 -0.349 0.000 1.433 321 N CA 0.338 53.326 53.050 -0.104 0.000 1.141 321 N CB -0.455 37.995 38.487 -0.061 0.000 1.431 321 N HN 0.864 nan 8.380 nan 0.000 0.523 322 G N 0.006 108.311 108.800 -0.825 0.000 2.159 322 G HA2 -0.264 3.696 3.960 0.000 0.000 0.256 322 G HA3 -0.264 3.696 3.960 0.000 0.000 0.256 322 G C 0.091 174.639 174.900 -0.588 0.000 0.977 322 G CA 0.193 44.523 45.100 -1.283 0.000 0.652 322 G HN 0.313 nan 8.290 nan 0.000 0.531 323 V N 1.239 120.917 119.914 -0.393 0.000 2.446 323 V HA 0.216 4.336 4.120 0.000 0.000 0.276 323 V C 1.234 177.094 176.094 -0.391 0.000 1.030 323 V CA 0.071 62.105 62.300 -0.443 0.000 1.033 323 V CB 0.829 32.226 31.823 -0.710 0.000 0.993 323 V HN 0.444 nan 8.190 nan 0.000 0.477 324 C N 6.051 125.231 119.300 -0.201 0.000 2.210 324 C HA 0.272 4.732 4.460 0.000 0.000 0.377 324 C C 0.443 175.441 174.990 0.014 0.000 1.037 324 C CA -1.378 57.647 59.018 0.013 0.000 1.405 324 C CB -1.826 25.980 27.740 0.109 0.000 1.802 324 C HN 0.855 nan 8.230 nan 0.000 0.495 325 W N 1.881 123.326 121.300 0.242 0.000 2.158 325 W HA 0.272 4.932 4.660 0.000 0.000 0.339 325 W C 1.220 177.908 176.519 0.281 0.000 1.294 325 W CA 0.265 57.736 57.345 0.210 0.000 1.231 325 W CB -0.067 29.527 29.460 0.223 0.000 1.143 325 W HN 0.801 nan 8.180 nan 0.000 0.571 326 H N 0.235 119.478 119.070 0.289 0.000 3.211 326 H HA -0.260 4.296 4.556 0.000 0.000 0.240 326 H C 0.296 175.693 175.328 0.116 0.000 1.148 326 H CA 1.148 57.284 56.048 0.147 0.000 1.160 326 H CB -1.908 27.942 29.762 0.146 0.000 1.232 326 H HN 0.530 nan 8.280 nan 0.000 0.321 327 N N 0.039 118.862 118.700 0.205 0.000 2.725 327 N HA -0.207 4.533 4.740 0.000 0.000 0.251 327 N C -0.287 175.253 175.510 0.050 0.000 1.031 327 N CA 1.464 54.580 53.050 0.109 0.000 0.720 327 N CB -0.720 37.806 38.487 0.066 0.000 0.930 327 N HN 0.736 nan 8.380 nan 0.000 0.543 328 Q N -0.633 119.222 119.800 0.092 0.000 2.484 328 Q HA 0.786 5.127 4.340 0.000 0.000 0.285 328 Q C -1.151 174.859 176.000 0.017 0.000 1.097 328 Q CA -0.870 54.939 55.803 0.009 0.000 0.802 328 Q CB 2.454 31.256 28.738 0.107 0.000 1.444 328 Q HN 0.242 nan 8.270 nan 0.000 0.429 329 L N 1.067 122.204 121.223 -0.143 0.000 2.565 329 L HA 0.546 4.886 4.340 0.000 0.000 0.261 329 L C -2.104 174.635 176.870 -0.218 0.000 0.932 329 L CA -0.137 54.685 54.840 -0.029 0.000 0.878 329 L CB 1.662 43.684 42.059 -0.062 0.000 1.333 329 L HN 0.498 nan 8.230 nan 0.000 0.409 330 F N 4.367 124.257 119.950 -0.101 0.000 2.467 330 F HA 0.699 5.226 4.527 0.000 0.000 0.336 330 F C -0.199 175.576 175.800 -0.042 0.000 1.123 330 F CA -0.788 57.121 58.000 -0.153 0.000 0.964 330 F CB 2.117 40.947 39.000 -0.284 0.000 1.136 330 F HN 0.097 nan 8.300 nan 0.000 0.447 331 V N 2.729 122.749 119.914 0.177 0.000 2.378 331 V HA 0.417 4.537 4.120 0.000 0.000 0.288 331 V C -0.371 175.849 176.094 0.211 0.000 1.016 331 V CA -0.654 61.790 62.300 0.240 0.000 0.840 331 V CB 1.555 33.570 31.823 0.320 0.000 0.994 331 V HN 0.772 nan 8.190 nan 0.000 0.431 332 T N 4.840 119.496 114.554 0.170 0.000 2.758 332 T HA 0.683 5.033 4.350 0.000 0.000 0.285 332 T C -0.281 174.538 174.700 0.198 0.000 0.981 332 T CA -0.365 61.819 62.100 0.140 0.000 0.965 332 T CB 1.502 70.434 68.868 0.106 0.000 0.927 332 T HN 0.356 nan 8.240 nan 0.000 0.448 333 V N 3.391 123.406 119.914 0.168 0.000 2.962 333 V HA 0.729 4.849 4.120 0.000 0.000 0.313 333 V C -0.734 175.468 176.094 0.181 0.000 1.099 333 V CA -0.803 61.627 62.300 0.217 0.000 0.971 333 V CB 2.460 34.399 31.823 0.193 0.000 1.028 333 V HN 0.684 nan 8.190 nan 0.000 0.430 334 V N 2.367 122.418 119.914 0.229 0.000 2.612 334 V HA 0.572 4.692 4.120 0.000 0.000 0.301 334 V C -1.527 174.713 176.094 0.244 0.000 1.059 334 V CA -0.385 61.988 62.300 0.122 0.000 0.886 334 V CB 1.941 33.738 31.823 -0.044 0.000 1.007 334 V HN 1.020 nan 8.190 nan 0.000 0.426 335 D N 2.424 122.942 120.400 0.197 0.000 2.616 335 D HA 0.408 5.048 4.640 0.000 0.000 0.238 335 D C 0.561 176.901 176.300 0.065 0.000 1.354 335 D CA 0.157 54.301 54.000 0.241 0.000 0.970 335 D CB 2.118 43.121 40.800 0.337 0.000 1.369 335 D HN 0.611 nan 8.370 nan 0.000 0.585 336 T N -0.492 114.068 114.554 0.010 0.000 3.105 336 T HA 0.053 4.403 4.350 0.000 0.000 0.253 336 T C 1.326 176.010 174.700 -0.028 0.000 1.047 336 T CA 0.489 62.501 62.100 -0.147 0.000 0.944 336 T CB -0.146 68.600 68.868 -0.204 0.000 1.016 336 T HN 0.319 nan 8.240 nan 0.000 0.544 337 T N -0.086 114.496 114.554 0.047 0.000 3.194 337 T HA 0.259 4.609 4.350 0.000 0.000 0.251 337 T C 0.785 175.514 174.700 0.049 0.000 1.132 337 T CA -0.404 61.733 62.100 0.062 0.000 1.028 337 T CB -0.351 68.564 68.868 0.078 0.000 0.976 337 T HN 0.383 nan 8.240 nan 0.000 0.535 338 R N 1.218 121.739 120.500 0.035 0.000 2.644 338 R HA 0.284 4.624 4.340 0.000 0.000 0.271 338 R C 0.193 176.542 176.300 0.082 0.000 1.687 338 R CA -0.043 56.086 56.100 0.049 0.000 1.655 338 R CB 0.933 31.250 30.300 0.029 0.000 1.285 338 R HN 0.403 nan 8.270 nan 0.000 0.643 339 S N -1.709 114.004 115.700 0.022 0.000 2.650 339 S HA 0.001 4.471 4.470 0.000 0.000 0.240 339 S C 0.695 175.235 174.600 -0.100 0.000 1.007 339 S CA -0.535 57.610 58.200 -0.092 0.000 0.984 339 S CB 0.304 63.437 63.200 -0.112 0.000 0.910 339 S HN 0.328 nan 8.310 nan 0.000 0.509 340 T N 2.181 116.744 114.554 0.016 0.000 2.908 340 T HA 0.189 4.539 4.350 0.000 0.000 0.301 340 T C -0.292 174.428 174.700 0.033 0.000 1.019 340 T CA -0.237 61.878 62.100 0.024 0.000 1.152 340 T CB -0.227 68.669 68.868 0.047 0.000 0.966 340 T HN 0.433 nan 8.240 nan 0.000 0.540 341 N N 2.686 121.383 118.700 -0.006 0.000 2.444 341 N HA 0.346 5.086 4.740 0.000 0.000 0.262 341 N C -0.152 175.372 175.510 0.023 0.000 0.974 341 N CA -0.764 52.284 53.050 -0.002 0.000 0.933 341 N CB 1.030 39.468 38.487 -0.082 0.000 1.137 341 N HN 0.514 nan 8.380 nan 0.000 0.498 342 L N 1.650 122.901 121.223 0.047 0.000 2.506 342 L HA 0.056 4.396 4.340 0.000 0.000 0.281 342 L C 0.512 177.402 176.870 0.033 0.000 1.228 342 L CA 0.389 55.251 54.840 0.038 0.000 0.850 342 L CB -0.011 42.071 42.059 0.038 0.000 1.110 342 L HN 0.455 nan 8.230 nan 0.000 0.496 343 T N 3.969 118.548 114.554 0.041 0.000 2.791 343 T HA 0.569 4.919 4.350 0.000 0.000 0.288 343 T C -0.247 174.498 174.700 0.076 0.000 0.999 343 T CA -0.406 61.727 62.100 0.055 0.000 0.952 343 T CB 0.949 69.845 68.868 0.046 0.000 0.938 343 T HN 0.167 nan 8.240 nan 0.000 0.444 344 I N 3.145 123.784 120.570 0.114 0.000 2.603 344 I HA 0.665 4.835 4.170 0.000 0.000 0.300 344 I C 0.227 176.477 176.117 0.221 0.000 1.017 344 I CA -1.533 59.847 61.300 0.133 0.000 1.098 344 I CB 1.237 39.294 38.000 0.096 0.000 1.279 344 I HN 0.848 nan 8.210 nan 0.000 0.437 345 C N 2.697 122.124 119.300 0.212 0.000 2.931 345 C HA 0.949 5.409 4.460 0.000 0.000 0.370 345 C C -0.337 174.809 174.990 0.260 0.000 1.071 345 C CA -0.696 58.495 59.018 0.287 0.000 1.266 345 C CB 0.633 28.535 27.740 0.270 0.000 1.691 345 C HN 1.063 nan 8.230 nan 0.000 0.511 346 A N 2.610 125.580 122.820 0.250 0.000 2.384 346 A HA 0.986 5.307 4.320 0.000 0.000 0.312 346 A C 0.072 177.657 177.584 0.003 0.000 1.113 346 A CA 0.060 52.170 52.037 0.121 0.000 0.779 346 A CB 1.379 20.423 19.000 0.072 0.000 1.307 346 A HN 2.127 nan 8.150 nan 0.000 0.436 347 S N -0.029 115.554 115.700 -0.195 0.000 2.646 347 S HA 0.446 4.917 4.470 0.000 0.000 0.276 347 S C 0.671 175.117 174.600 -0.257 0.000 1.222 347 S CA 0.259 58.156 58.200 -0.505 0.000 1.014 347 S CB 1.132 63.900 63.200 -0.720 0.000 0.991 347 S HN 0.608 nan 8.310 nan 0.000 0.533 348 T N 1.077 115.474 114.554 -0.261 0.000 2.896 348 T HA 0.034 4.384 4.350 0.000 0.000 0.263 348 T C 0.491 175.119 174.700 -0.120 0.000 1.050 348 T CA 0.923 62.942 62.100 -0.135 0.000 1.140 348 T CB -0.188 68.615 68.868 -0.108 0.000 0.877 348 T HN 0.563 nan 8.240 nan 0.000 0.457 349 Q N 1.120 120.825 119.800 -0.159 0.000 2.327 349 Q HA 0.337 4.677 4.340 0.000 0.000 0.254 349 Q C 1.285 177.228 176.000 -0.094 0.000 0.952 349 Q CA -0.067 55.671 55.803 -0.109 0.000 0.884 349 Q CB 1.341 30.015 28.738 -0.107 0.000 1.224 349 Q HN 0.133 nan 8.270 nan 0.000 0.422 350 S N 2.261 117.926 115.700 -0.058 0.000 2.348 350 S HA -0.032 4.438 4.470 0.000 0.000 0.219 350 S C -0.837 173.743 174.600 -0.034 0.000 1.033 350 S CA 0.666 58.841 58.200 -0.042 0.000 0.974 350 S CB -0.705 62.478 63.200 -0.028 0.000 0.868 350 S HN 0.489 nan 8.310 nan 0.000 0.459 351 P HA 0.124 nan 4.420 nan 0.000 0.228 351 P C -0.305 176.991 177.300 -0.007 0.000 1.151 351 P CA 0.500 63.592 63.100 -0.012 0.000 0.770 351 P CB -0.079 31.616 31.700 -0.008 0.000 0.786 352 V N -0.974 118.924 119.914 -0.026 0.000 4.959 352 V HA -0.116 4.004 4.120 0.000 0.000 0.370 352 V C -1.939 174.172 176.094 0.029 0.000 0.656 352 V CA -0.899 61.394 62.300 -0.011 0.000 1.480 352 V CB -2.167 29.671 31.823 0.025 0.000 1.789 352 V HN 0.296 nan 8.190 nan 0.000 0.474 353 P HA 0.084 nan 4.420 nan 0.000 0.264 353 P C 1.176 178.534 177.300 0.097 0.000 1.179 353 P CA 0.937 64.067 63.100 0.050 0.000 0.763 353 P CB 0.826 32.548 31.700 0.036 0.000 0.806 354 G N 1.271 110.118 108.800 0.077 0.000 2.920 354 G HA2 -0.038 3.922 3.960 0.000 0.000 0.208 354 G HA3 -0.038 3.922 3.960 0.000 0.000 0.208 354 G C 0.549 175.510 174.900 0.102 0.000 1.159 354 G CA 0.221 45.372 45.100 0.086 0.000 0.784 354 G HN 0.559 nan 8.290 nan 0.000 0.535 355 Q N -0.119 119.748 119.800 0.111 0.000 2.331 355 Q HA 0.456 4.796 4.340 0.000 0.000 0.267 355 Q C -1.392 174.710 176.000 0.170 0.000 1.006 355 Q CA -1.151 54.723 55.803 0.119 0.000 0.818 355 Q CB 1.166 29.949 28.738 0.075 0.000 1.276 355 Q HN 0.214 nan 8.270 nan 0.000 0.450 356 Y N 3.103 123.445 120.300 0.071 0.000 2.442 356 Y HA 0.382 4.932 4.550 0.000 0.000 0.330 356 Y C -0.868 175.082 175.900 0.084 0.000 1.129 356 Y CA 0.361 58.506 58.100 0.074 0.000 1.365 356 Y CB 0.820 39.279 38.460 -0.001 0.000 1.233 356 Y HN 0.671 nan 8.280 nan 0.000 0.529 357 D N 4.799 124.790 120.400 -0.681 0.000 2.365 357 D HA 0.316 4.956 4.640 0.000 0.000 0.235 357 D C 0.421 176.428 176.300 -0.489 0.000 1.368 357 D CA 0.189 53.889 54.000 -0.499 0.000 1.001 357 D CB 1.115 41.832 40.800 -0.139 0.000 1.364 357 D HN 0.710 nan 8.370 nan 0.000 0.577 358 A N 2.508 124.956 122.820 -0.619 0.000 1.971 358 A HA -0.260 4.060 4.320 0.000 0.000 0.222 358 A C 2.040 179.617 177.584 -0.013 0.000 1.182 358 A CA 2.794 54.682 52.037 -0.249 0.000 0.649 358 A CB -1.057 17.892 19.000 -0.085 0.000 0.818 358 A HN 0.687 nan 8.150 nan 0.000 0.458 359 T N -2.180 112.358 114.554 -0.027 0.000 2.929 359 T HA -0.075 4.275 4.350 0.000 0.000 0.271 359 T C 1.294 176.015 174.700 0.034 0.000 1.085 359 T CA 1.539 63.645 62.100 0.010 0.000 1.125 359 T CB -0.379 68.482 68.868 -0.012 0.000 0.874 359 T HN 0.597 nan 8.240 nan 0.000 0.494 360 K N 0.406 120.847 120.400 0.069 0.000 2.469 360 K HA 0.289 4.609 4.320 0.000 0.000 0.201 360 K C -0.922 175.566 176.600 -0.187 0.000 1.028 360 K CA -0.143 56.123 56.287 -0.035 0.000 1.170 360 K CB 0.045 32.493 32.500 -0.088 0.000 0.874 360 K HN 0.367 nan 8.250 nan 0.000 0.507 361 F N 0.881 120.810 119.950 -0.035 0.000 2.561 361 F HA 0.342 4.869 4.527 0.000 0.000 0.313 361 F C -0.094 175.710 175.800 0.007 0.000 1.126 361 F CA -1.052 56.953 58.000 0.009 0.000 0.918 361 F CB 1.657 40.674 39.000 0.029 0.000 1.199 361 F HN -0.355 nan 8.300 nan 0.000 0.444 362 K N 2.104 122.609 120.400 0.174 0.000 2.183 362 K HA 0.450 4.770 4.320 0.000 0.000 0.274 362 K C -0.759 175.875 176.600 0.058 0.000 1.009 362 K CA -0.946 55.373 56.287 0.053 0.000 0.888 362 K CB 1.516 34.049 32.500 0.054 0.000 1.078 362 K HN 0.487 nan 8.250 nan 0.000 0.459 363 Q N 2.158 121.896 119.800 -0.104 0.000 2.290 363 Q HA 0.329 4.670 4.340 0.000 0.000 0.259 363 Q C -1.615 174.245 176.000 -0.233 0.000 0.941 363 Q CA -0.165 55.613 55.803 -0.041 0.000 0.912 363 Q CB 0.823 29.557 28.738 -0.006 0.000 1.244 363 Q HN 0.367 nan 8.270 nan 0.000 0.441 364 Y N -0.101 120.226 120.300 0.046 0.000 2.562 364 Y HA 0.666 5.216 4.550 0.000 0.000 0.343 364 Y C -0.173 175.722 175.900 -0.008 0.000 1.025 364 Y CA -0.874 57.238 58.100 0.020 0.000 1.082 364 Y CB 2.558 41.027 38.460 0.015 0.000 1.264 364 Y HN 0.442 nan 8.280 nan 0.000 0.478 365 S N 2.465 118.229 115.700 0.108 0.000 2.594 365 S HA 0.704 5.174 4.470 0.000 0.000 0.296 365 S C -1.237 173.321 174.600 -0.070 0.000 1.124 365 S CA -0.734 57.454 58.200 -0.021 0.000 1.011 365 S CB 0.343 63.465 63.200 -0.130 0.000 1.016 365 S HN 0.520 nan 8.310 nan 0.000 0.485 366 R N 2.635 123.113 120.500 -0.037 0.000 2.744 366 R HA 0.427 4.767 4.340 0.000 0.000 0.279 366 R C -1.117 175.208 176.300 0.041 0.000 0.977 366 R CA -0.663 55.423 56.100 -0.023 0.000 0.906 366 R CB 1.499 31.797 30.300 -0.004 0.000 1.197 366 R HN 0.854 nan 8.270 nan 0.000 0.463 367 H N 0.884 119.907 119.070 -0.078 0.000 2.637 367 H HA 0.555 5.111 4.556 0.000 0.000 0.363 367 H C -1.045 174.279 175.328 -0.007 0.000 1.131 367 H CA -0.815 55.208 56.048 -0.043 0.000 1.183 367 H CB 1.980 31.714 29.762 -0.047 0.000 1.637 367 H HN 0.178 nan 8.280 nan 0.000 0.531 368 V N 3.407 123.116 119.914 -0.343 0.000 2.769 368 V HA 0.248 4.368 4.120 0.000 0.000 0.312 368 V C -0.417 175.392 176.094 -0.475 0.000 1.058 368 V CA -0.658 61.460 62.300 -0.303 0.000 0.952 368 V CB 1.756 33.514 31.823 -0.109 0.000 1.019 368 V HN 0.731 nan 8.190 nan 0.000 0.445 369 E N 1.969 122.055 120.200 -0.189 0.000 2.265 369 E HA 0.409 4.759 4.350 0.000 0.000 0.262 369 E C -1.097 175.549 176.600 0.077 0.000 0.889 369 E CA -0.334 56.033 56.400 -0.054 0.000 0.789 369 E CB 1.652 31.433 29.700 0.134 0.000 1.221 369 E HN 0.743 nan 8.360 nan 0.000 0.414 370 E N 4.199 124.362 120.200 -0.061 0.000 2.182 370 E HA 0.315 4.665 4.350 0.000 0.000 0.258 370 E C -1.192 175.289 176.600 -0.197 0.000 0.879 370 E CA -0.490 55.887 56.400 -0.039 0.000 0.754 370 E CB 0.619 30.278 29.700 -0.069 0.000 1.162 370 E HN 0.426 nan 8.360 nan 0.000 0.419 371 Y N 1.664 121.901 120.300 -0.105 0.000 2.675 371 Y HA 0.480 5.030 4.550 0.000 0.000 0.328 371 Y C -0.058 175.696 175.900 -0.243 0.000 1.092 371 Y CA -0.715 57.258 58.100 -0.212 0.000 1.190 371 Y CB 1.660 39.933 38.460 -0.312 0.000 1.350 371 Y HN 0.422 nan 8.280 nan 0.000 0.525 372 D N 0.960 121.292 120.400 -0.113 0.000 2.484 372 D HA 0.206 4.846 4.640 0.000 0.000 0.206 372 D C -2.094 174.046 176.300 -0.268 0.000 1.322 372 D CA -0.185 53.708 54.000 -0.178 0.000 0.913 372 D CB 0.819 41.544 40.800 -0.125 0.000 1.559 372 D HN 0.524 nan 8.370 nan 0.000 0.565 373 L N 2.470 123.488 121.223 -0.342 0.000 2.309 373 L HA 0.530 4.870 4.340 0.000 0.000 0.282 373 L C 0.125 176.697 176.870 -0.497 0.000 1.036 373 L CA -0.616 53.941 54.840 -0.471 0.000 0.806 373 L CB 1.833 43.664 42.059 -0.379 0.000 1.220 373 L HN 0.277 nan 8.230 nan 0.000 0.429 374 Q N 2.901 122.200 119.800 -0.834 0.000 2.331 374 Q HA 0.653 4.993 4.340 0.000 0.000 0.272 374 Q C -1.642 173.678 176.000 -1.134 0.000 1.062 374 Q CA -0.534 54.842 55.803 -0.713 0.000 0.806 374 Q CB 2.901 31.402 28.738 -0.395 0.000 1.312 374 Q HN 0.363 nan 8.270 nan 0.000 0.431 375 F N 1.030 120.579 119.950 -0.668 0.000 2.629 375 F HA 0.599 5.126 4.527 0.000 0.000 0.316 375 F C -0.490 174.767 175.800 -0.905 0.000 1.081 375 F CA -1.090 56.432 58.000 -0.797 0.000 0.954 375 F CB 1.463 39.821 39.000 -1.069 0.000 1.337 375 F HN 0.276 nan 8.300 nan 0.000 0.474 376 I N 2.444 122.628 120.570 -0.642 0.000 2.468 376 I HA 0.314 4.484 4.170 0.000 0.000 0.284 376 I C -1.100 174.686 176.117 -0.552 0.000 1.038 376 I CA -0.714 60.262 61.300 -0.540 0.000 1.083 376 I CB 0.954 38.645 38.000 -0.515 0.000 1.223 376 I HN 0.411 nan 8.210 nan 0.000 0.443 377 F N 3.984 123.814 119.950 -0.199 0.000 2.432 377 F HA 0.515 5.042 4.527 0.000 0.000 0.329 377 F C 0.636 176.484 175.800 0.080 0.000 1.076 377 F CA -0.562 57.365 58.000 -0.123 0.000 1.018 377 F CB 1.563 40.335 39.000 -0.381 0.000 1.201 377 F HN 0.386 nan 8.300 nan 0.000 0.489 378 Q N 2.371 122.375 119.800 0.338 0.000 2.353 378 Q HA 0.497 4.837 4.340 0.000 0.000 0.268 378 Q C -1.680 174.481 176.000 0.268 0.000 1.045 378 Q CA -1.157 54.727 55.803 0.135 0.000 0.811 378 Q CB 2.108 30.827 28.738 -0.032 0.000 1.305 378 Q HN 0.693 nan 8.270 nan 0.000 0.447 379 L N 3.698 125.029 121.223 0.179 0.000 2.331 379 L HA 0.403 4.743 4.340 0.000 0.000 0.278 379 L C -1.373 175.422 176.870 -0.124 0.000 1.106 379 L CA 0.255 55.112 54.840 0.029 0.000 0.824 379 L CB 0.713 42.764 42.059 -0.013 0.000 1.142 379 L HN 0.811 nan 8.230 nan 0.000 0.443 380 C N 2.147 121.326 119.300 -0.203 0.000 2.707 380 C HA 0.834 5.294 4.460 0.000 0.000 0.313 380 C C 0.086 174.941 174.990 -0.225 0.000 1.209 380 C CA -0.611 58.301 59.018 -0.177 0.000 1.635 380 C CB 1.898 29.556 27.740 -0.137 0.000 2.206 380 C HN 0.882 nan 8.230 nan 0.000 0.485 381 T N -0.633 113.830 114.554 -0.152 0.000 2.856 381 T HA 0.807 5.158 4.350 0.000 0.000 0.283 381 T C -1.009 173.665 174.700 -0.042 0.000 1.008 381 T CA -0.441 61.578 62.100 -0.136 0.000 0.997 381 T CB 1.014 69.834 68.868 -0.080 0.000 0.992 381 T HN 0.335 nan 8.240 nan 0.000 0.454 382 I N 2.367 122.916 120.570 -0.035 0.000 2.420 382 I HA 0.264 4.434 4.170 0.000 0.000 0.282 382 I C 0.335 176.473 176.117 0.035 0.000 1.019 382 I CA -0.295 61.050 61.300 0.075 0.000 1.130 382 I CB 1.825 39.941 38.000 0.194 0.000 1.262 382 I HN 0.744 nan 8.210 nan 0.000 0.454 383 T N 7.277 121.868 114.554 0.061 0.000 2.750 383 T HA 0.276 4.626 4.350 0.000 0.000 0.286 383 T C 0.505 175.233 174.700 0.046 0.000 0.911 383 T CA -0.209 61.913 62.100 0.038 0.000 1.130 383 T CB -0.218 68.672 68.868 0.037 0.000 0.873 383 T HN 0.264 nan 8.240 nan 0.000 0.536 384 L N 5.326 126.564 121.223 0.024 0.000 2.515 384 L HA 0.198 4.538 4.340 0.000 0.000 0.281 384 L C 1.422 178.311 176.870 0.032 0.000 1.131 384 L CA -0.336 54.530 54.840 0.043 0.000 0.905 384 L CB -0.515 41.565 42.059 0.036 0.000 1.246 384 L HN 0.731 nan 8.230 nan 0.000 0.463 385 T N -0.539 114.036 114.554 0.034 0.000 2.919 385 T HA 0.644 4.994 4.350 0.000 0.000 0.282 385 T C 1.132 175.845 174.700 0.022 0.000 1.020 385 T CA -0.114 61.999 62.100 0.022 0.000 0.994 385 T CB 1.752 70.631 68.868 0.019 0.000 1.180 385 T HN 0.379 nan 8.240 nan 0.000 0.566 386 A N 1.636 124.466 122.820 0.016 0.000 1.862 386 A HA -0.191 4.129 4.320 0.000 0.000 0.214 386 A C 1.891 179.485 177.584 0.017 0.000 1.228 386 A CA 2.674 54.720 52.037 0.015 0.000 0.665 386 A CB -1.854 17.152 19.000 0.011 0.000 0.845 386 A HN 1.043 nan 8.150 nan 0.000 0.459 387 D N -0.247 120.162 120.400 0.015 0.000 2.149 387 D HA -0.156 4.484 4.640 0.000 0.000 0.194 387 D C 1.549 177.862 176.300 0.022 0.000 1.001 387 D CA 1.580 55.592 54.000 0.020 0.000 0.849 387 D CB -1.071 39.736 40.800 0.012 0.000 0.939 387 D HN 0.190 nan 8.370 nan 0.000 0.449 388 V N 0.249 120.161 119.914 -0.003 0.000 2.282 388 V HA -0.336 3.784 4.120 0.000 0.000 0.249 388 V C 2.636 178.742 176.094 0.020 0.000 1.057 388 V CA 2.168 64.448 62.300 -0.032 0.000 1.032 388 V CB -0.564 31.258 31.823 -0.001 0.000 0.645 388 V HN 0.249 nan 8.190 nan 0.000 0.447 389 M N 0.428 120.050 119.600 0.037 0.000 2.099 389 M HA -0.156 4.324 4.480 0.000 0.000 0.262 389 M C 2.459 178.762 176.300 0.004 0.000 1.067 389 M CA 2.196 57.519 55.300 0.037 0.000 1.124 389 M CB -0.368 32.257 32.600 0.042 0.000 1.353 389 M HN 0.599 nan 8.290 nan 0.000 0.410 390 S N -0.581 115.126 115.700 0.012 0.000 2.419 390 S HA -0.212 4.258 4.470 0.000 0.000 0.233 390 S C 1.734 176.326 174.600 -0.014 0.000 1.016 390 S CA 1.104 59.300 58.200 -0.006 0.000 0.974 390 S CB -0.969 62.236 63.200 0.008 0.000 0.786 390 S HN 0.584 nan 8.310 nan 0.000 0.492 391 Y N 2.623 122.856 120.300 -0.112 0.000 2.109 391 Y HA 0.043 4.594 4.550 0.000 0.000 0.285 391 Y C 2.058 177.846 175.900 -0.186 0.000 1.131 391 Y CA 1.443 59.460 58.100 -0.139 0.000 1.121 391 Y CB -0.464 37.869 38.460 -0.212 0.000 0.987 391 Y HN 0.174 nan 8.280 nan 0.000 0.495 392 I N 0.527 121.037 120.570 -0.100 0.000 2.530 392 I HA -0.294 3.876 4.170 0.000 0.000 0.257 392 I C 2.269 178.195 176.117 -0.319 0.000 1.179 392 I CA 1.508 62.640 61.300 -0.280 0.000 1.440 392 I CB -0.508 37.370 38.000 -0.203 0.000 1.087 392 I HN 0.363 nan 8.210 nan 0.000 0.440 393 Q N 1.224 120.898 119.800 -0.210 0.000 2.050 393 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 393 Q C 2.289 178.161 176.000 -0.213 0.000 0.980 393 Q CA 2.279 57.973 55.803 -0.181 0.000 0.840 393 Q CB -0.087 28.586 28.738 -0.108 0.000 0.898 393 Q HN 0.397 nan 8.270 nan 0.000 0.424 394 S N -0.091 115.467 115.700 -0.237 0.000 2.371 394 S HA -0.123 4.347 4.470 0.000 0.000 0.224 394 S C 1.807 176.242 174.600 -0.275 0.000 1.029 394 S CA 1.259 59.333 58.200 -0.211 0.000 0.978 394 S CB -0.368 62.720 63.200 -0.187 0.000 0.833 394 S HN 0.521 nan 8.310 nan 0.000 0.466 395 M N 1.214 120.513 119.600 -0.503 0.000 2.065 395 M HA -0.069 4.411 4.480 0.000 0.000 0.259 395 M C 0.389 176.312 176.300 -0.627 0.000 1.071 395 M CA 1.571 56.371 55.300 -0.833 0.000 1.109 395 M CB 0.057 32.007 32.600 -1.083 0.000 1.313 395 M HN 0.261 nan 8.290 nan 0.000 0.408 396 N N -0.355 118.048 118.700 -0.496 0.000 3.151 396 N HA 0.043 4.783 4.740 0.000 0.000 0.219 396 N C 0.466 175.793 175.510 -0.306 0.000 1.434 396 N CA 0.344 53.180 53.050 -0.357 0.000 0.767 396 N CB 0.726 39.001 38.487 -0.355 0.000 1.564 396 N HN 0.327 nan 8.380 nan 0.000 0.612 397 S N 0.707 116.267 115.700 -0.233 0.000 2.399 397 S HA -0.305 4.165 4.470 0.000 0.000 0.235 397 S C 1.967 176.444 174.600 -0.206 0.000 1.063 397 S CA 2.102 60.183 58.200 -0.198 0.000 1.070 397 S CB -0.654 62.463 63.200 -0.138 0.000 0.904 397 S HN 0.635 nan 8.310 nan 0.000 0.456 398 S N 2.166 117.768 115.700 -0.162 0.000 2.440 398 S HA -0.038 4.432 4.470 0.000 0.000 0.240 398 S C 1.751 176.172 174.600 -0.299 0.000 1.014 398 S CA 1.258 59.384 58.200 -0.123 0.000 0.980 398 S CB -1.003 62.216 63.200 0.031 0.000 0.775 398 S HN 0.667 nan 8.310 nan 0.000 0.499 399 I N 1.132 121.421 120.570 -0.468 0.000 2.202 399 I HA -0.132 4.038 4.170 0.000 0.000 0.242 399 I C 2.419 177.939 176.117 -0.995 0.000 1.091 399 I CA 1.223 61.993 61.300 -0.885 0.000 1.368 399 I CB -0.430 37.012 38.000 -0.931 0.000 1.058 399 I HN 0.285 nan 8.210 nan 0.000 0.410 400 L N 0.327 121.190 121.223 -0.599 0.000 2.141 400 L HA -0.187 4.153 4.340 0.000 0.000 0.209 400 L C 2.497 179.267 176.870 -0.167 0.000 1.094 400 L CA 1.250 55.909 54.840 -0.302 0.000 0.763 400 L CB -0.497 41.484 42.059 -0.129 0.000 0.908 400 L HN 0.261 nan 8.230 nan 0.000 0.437 401 E N 0.216 120.299 120.200 -0.194 0.000 2.023 401 E HA -0.251 4.099 4.350 0.000 0.000 0.196 401 E C 1.767 178.321 176.600 -0.077 0.000 1.003 401 E CA 1.660 57.998 56.400 -0.104 0.000 0.809 401 E CB -0.033 29.609 29.700 -0.097 0.000 0.755 401 E HN 0.445 nan 8.360 nan 0.000 0.449 402 D N -0.184 120.118 120.400 -0.163 0.000 2.158 402 D HA -0.191 4.449 4.640 0.000 0.000 0.197 402 D C 1.442 177.790 176.300 0.080 0.000 0.995 402 D CA 0.805 54.754 54.000 -0.084 0.000 0.846 402 D CB -0.312 40.377 40.800 -0.185 0.000 0.941 402 D HN 0.373 nan 8.370 nan 0.000 0.456 403 W N 1.315 122.580 121.300 -0.058 0.000 2.825 403 W HA 0.063 4.723 4.660 0.000 0.000 0.243 403 W C 0.661 177.165 176.519 -0.025 0.000 1.293 403 W CA -0.105 57.218 57.345 -0.037 0.000 1.403 403 W CB -1.083 28.358 29.460 -0.031 0.000 1.134 403 W HN -0.055 nan 8.180 nan 0.000 0.666 439 K N 0.615 121.010 120.400 -0.007 0.000 2.207 439 K HA 0.436 4.756 4.320 0.000 0.000 0.255 439 K C -1.259 175.322 176.600 -0.032 0.000 0.941 439 K CA -0.538 55.740 56.287 -0.015 0.000 0.825 439 K CB 1.216 33.700 32.500 -0.026 0.000 1.119 439 K HN 0.552 nan 8.250 nan 0.000 0.430 440 D N 2.510 122.893 120.400 -0.028 0.000 2.217 440 D HA 0.287 4.927 4.640 0.000 0.000 0.243 440 D C -1.613 174.603 176.300 -0.140 0.000 1.054 440 D CA -2.135 51.825 54.000 -0.067 0.000 0.838 440 D CB 1.253 42.070 40.800 0.029 0.000 1.162 440 D HN 0.219 nan 8.370 nan 0.000 0.472 441 P HA -0.112 nan 4.420 nan 0.000 0.236 441 P C 0.004 177.094 177.300 -0.350 0.000 1.172 441 P CA 0.993 63.839 63.100 -0.424 0.000 0.759 441 P CB -0.085 31.228 31.700 -0.646 0.000 0.843 442 Y N -1.190 119.156 120.300 0.075 0.000 2.500 442 Y HA 0.187 4.737 4.550 0.000 0.000 0.246 442 Y C 1.532 177.497 175.900 0.109 0.000 1.146 442 Y CA -0.620 57.569 58.100 0.148 0.000 1.230 442 Y CB -0.046 38.631 38.460 0.361 0.000 1.214 442 Y HN -0.148 nan 8.280 nan 0.000 0.526 443 D N 0.798 121.297 120.400 0.165 0.000 2.403 443 D HA -0.091 4.549 4.640 0.000 0.000 0.227 443 D C 1.543 177.866 176.300 0.038 0.000 0.995 443 D CA 0.857 54.917 54.000 0.100 0.000 0.928 443 D CB 0.176 41.013 40.800 0.061 0.000 0.887 443 D HN 0.277 nan 8.370 nan 0.000 0.529 444 K N -0.307 120.108 120.400 0.025 0.000 2.334 444 K HA 0.154 4.474 4.320 0.000 0.000 0.195 444 K C 0.886 177.438 176.600 -0.079 0.000 1.045 444 K CA 0.064 56.340 56.287 -0.019 0.000 1.004 444 K CB 0.786 33.280 32.500 -0.010 0.000 0.837 444 K HN 0.189 nan 8.250 nan 0.000 0.510 445 L N 1.971 123.111 121.223 -0.139 0.000 2.357 445 L HA 0.229 4.569 4.340 0.000 0.000 0.273 445 L C 0.378 176.898 176.870 -0.583 0.000 1.080 445 L CA -0.769 53.846 54.840 -0.376 0.000 0.803 445 L CB 0.627 42.378 42.059 -0.513 0.000 1.174 445 L HN -0.275 nan 8.230 nan 0.000 0.443 446 K N 2.877 122.947 120.400 -0.550 0.000 2.276 446 K HA 0.514 4.834 4.320 0.000 0.000 0.285 446 K C -0.905 175.388 176.600 -0.512 0.000 1.062 446 K CA 0.208 56.257 56.287 -0.397 0.000 0.918 446 K CB 0.821 33.203 32.500 -0.196 0.000 1.055 446 K HN 0.342 nan 8.250 nan 0.000 0.477 447 F N 0.249 120.229 119.950 0.049 0.000 2.675 447 F HA 0.326 4.853 4.527 0.000 0.000 0.324 447 F C -0.226 175.648 175.800 0.123 0.000 1.106 447 F CA -1.234 56.813 58.000 0.077 0.000 0.970 447 F CB 1.625 40.681 39.000 0.092 0.000 1.385 447 F HN 0.386 nan 8.300 nan 0.000 0.489 448 W N 4.095 125.494 121.300 0.165 0.000 2.298 448 W HA 0.323 4.983 4.660 0.000 0.000 0.327 448 W C -0.985 175.627 176.519 0.156 0.000 0.988 448 W CA -1.143 56.265 57.345 0.105 0.000 1.448 448 W CB 0.275 29.740 29.460 0.009 0.000 1.243 448 W HN 0.394 nan 8.180 nan 0.000 0.388 449 N N 4.110 123.084 118.700 0.457 0.000 2.452 449 N HA 0.086 4.826 4.740 0.000 0.000 0.266 449 N C -0.779 174.915 175.510 0.308 0.000 1.209 449 N CA 0.214 53.438 53.050 0.290 0.000 0.929 449 N CB 1.829 40.428 38.487 0.186 0.000 1.063 449 N HN 0.053 nan 8.380 nan 0.000 0.472 450 V N 2.356 122.366 119.914 0.160 0.000 2.376 450 V HA 0.101 4.221 4.120 0.000 0.000 0.287 450 V C 0.042 176.153 176.094 0.029 0.000 1.015 450 V CA -0.889 61.467 62.300 0.092 0.000 0.834 450 V CB 1.706 33.519 31.823 -0.017 0.000 1.001 450 V HN 0.536 nan 8.190 nan 0.000 0.428 451 D N 4.838 125.267 120.400 0.048 0.000 2.313 451 D HA 0.322 4.962 4.640 0.000 0.000 0.239 451 D C 0.382 176.697 176.300 0.026 0.000 1.142 451 D CA -0.169 53.845 54.000 0.024 0.000 0.847 451 D CB 1.717 42.541 40.800 0.040 0.000 1.082 451 D HN 0.476 nan 8.370 nan 0.000 0.480 452 L N 3.702 124.931 121.223 0.010 0.000 2.808 452 L HA 0.145 4.485 4.340 0.000 0.000 0.246 452 L C 2.023 178.951 176.870 0.096 0.000 1.153 452 L CA -0.206 54.674 54.840 0.067 0.000 0.956 452 L CB 0.263 42.370 42.059 0.079 0.000 1.270 452 L HN 0.201 nan 8.230 nan 0.000 0.528 453 K N 0.666 121.062 120.400 -0.006 0.000 2.218 453 K HA -0.141 4.179 4.320 0.000 0.000 0.205 453 K C 0.810 177.427 176.600 0.028 0.000 1.046 453 K CA 1.019 57.261 56.287 -0.075 0.000 0.933 453 K CB 0.125 32.592 32.500 -0.056 0.000 0.728 453 K HN 0.232 nan 8.250 nan 0.000 0.454 454 E N 0.188 120.446 120.200 0.096 0.000 2.496 454 E HA 0.061 4.411 4.350 0.000 0.000 0.200 454 E C 0.319 177.025 176.600 0.176 0.000 1.016 454 E CA 0.164 56.648 56.400 0.139 0.000 0.962 454 E CB 0.731 30.496 29.700 0.109 0.000 1.071 454 E HN 0.180 nan 8.360 nan 0.000 0.457 455 K N -0.001 120.534 120.400 0.224 0.000 2.438 455 K HA 0.196 4.516 4.320 0.000 0.000 0.206 455 K C 0.170 176.890 176.600 0.201 0.000 1.081 455 K CA -0.312 56.088 56.287 0.188 0.000 1.053 455 K CB 0.653 33.216 32.500 0.104 0.000 0.908 455 K HN -0.049 nan 8.250 nan 0.000 0.556 456 F N 1.854 121.841 119.950 0.061 0.000 2.471 456 F HA 0.172 4.699 4.527 0.000 0.000 0.353 456 F C 0.941 176.907 175.800 0.278 0.000 1.113 456 F CA 0.082 58.170 58.000 0.147 0.000 1.262 456 F CB 1.045 40.093 39.000 0.081 0.000 1.146 456 F HN -0.237 nan 8.300 nan 0.000 0.578 457 S N 3.242 119.138 115.700 0.327 0.000 2.536 457 S HA 0.472 4.942 4.470 0.000 0.000 0.271 457 S C 0.262 174.864 174.600 0.003 0.000 1.134 457 S CA -0.704 57.609 58.200 0.189 0.000 0.897 457 S CB 0.981 64.247 63.200 0.110 0.000 1.094 457 S HN 0.653 nan 8.310 nan 0.000 0.473 458 L N 1.761 122.910 121.223 -0.124 0.000 2.270 458 L HA 0.147 4.487 4.340 0.000 0.000 0.210 458 L C 0.008 176.832 176.870 -0.077 0.000 1.104 458 L CA 0.603 55.258 54.840 -0.309 0.000 0.804 458 L CB -0.097 41.778 42.059 -0.307 0.000 0.937 458 L HN 0.683 nan 8.230 nan 0.000 0.450 459 D N 0.203 120.621 120.400 0.029 0.000 2.393 459 D HA 0.108 4.748 4.640 0.000 0.000 0.232 459 D C 1.132 177.514 176.300 0.137 0.000 1.192 459 D CA -0.175 53.868 54.000 0.072 0.000 0.882 459 D CB 0.529 41.366 40.800 0.062 0.000 1.038 459 D HN 0.060 nan 8.370 nan 0.000 0.499 460 L N 0.632 121.926 121.223 0.119 0.000 2.083 460 L HA -0.140 4.200 4.340 0.000 0.000 0.209 460 L C 1.888 178.840 176.870 0.138 0.000 1.083 460 L CA 1.013 55.944 54.840 0.151 0.000 0.752 460 L CB -0.407 41.749 42.059 0.161 0.000 0.899 460 L HN 0.331 nan 8.230 nan 0.000 0.433 461 D N 0.159 120.608 120.400 0.081 0.000 2.203 461 D HA -0.215 4.425 4.640 0.000 0.000 0.199 461 D C 2.180 178.466 176.300 -0.025 0.000 0.997 461 D CA 1.185 55.202 54.000 0.028 0.000 0.863 461 D CB 0.072 40.877 40.800 0.009 0.000 0.928 461 D HN 0.280 nan 8.370 nan 0.000 0.458 462 Q N -1.037 118.728 119.800 -0.059 0.000 2.436 462 Q HA -0.054 4.286 4.340 0.000 0.000 0.209 462 Q C -0.126 175.533 176.000 -0.570 0.000 0.965 462 Q CA 0.558 56.177 55.803 -0.307 0.000 0.910 462 Q CB 0.131 28.614 28.738 -0.425 0.000 0.980 462 Q HN 0.451 nan 8.270 nan 0.000 0.491 463 Y N -0.220 119.959 120.300 -0.200 0.000 2.485 463 Y HA 0.220 4.770 4.550 0.000 0.000 0.345 463 Y C -1.481 174.346 175.900 -0.122 0.000 0.998 463 Y CA -2.649 55.290 58.100 -0.268 0.000 1.059 463 Y CB 1.057 39.063 38.460 -0.757 0.000 1.234 463 Y HN -0.180 nan 8.280 nan 0.000 0.461 464 P HA -0.271 nan 4.420 nan 0.000 0.211 464 P C 1.736 179.106 177.300 0.118 0.000 1.181 464 P CA 1.741 64.883 63.100 0.069 0.000 0.929 464 P CB 0.527 32.258 31.700 0.051 0.000 0.789 465 L N -0.624 120.695 121.223 0.159 0.000 2.042 465 L HA -0.137 4.203 4.340 0.000 0.000 0.210 465 L C 2.735 179.775 176.870 0.283 0.000 1.076 465 L CA 2.122 57.077 54.840 0.191 0.000 0.749 465 L CB -1.359 40.772 42.059 0.119 0.000 0.893 465 L HN 0.070 nan 8.230 nan 0.000 0.432 466 G N -0.376 108.592 108.800 0.280 0.000 2.476 466 G HA2 -0.317 3.643 3.960 0.000 0.000 0.218 466 G HA3 -0.317 3.643 3.960 0.000 0.000 0.218 466 G C 1.587 176.612 174.900 0.209 0.000 1.164 466 G CA 0.958 46.204 45.100 0.243 0.000 0.768 466 G HN 0.356 nan 8.290 nan 0.000 0.560 467 R N 0.374 120.957 120.500 0.138 0.000 2.070 467 R HA 0.015 4.355 4.340 0.000 0.000 0.233 467 R C 2.700 179.050 176.300 0.083 0.000 1.137 467 R CA 1.488 57.635 56.100 0.079 0.000 0.945 467 R CB -0.329 29.996 30.300 0.042 0.000 0.845 467 R HN 0.273 nan 8.270 nan 0.000 0.430 468 K N -0.103 120.384 120.400 0.145 0.000 2.127 468 K HA -0.217 4.103 4.320 0.000 0.000 0.208 468 K C 1.911 178.601 176.600 0.151 0.000 1.047 468 K CA 1.609 58.013 56.287 0.196 0.000 0.927 468 K CB -0.303 32.384 32.500 0.311 0.000 0.716 468 K HN 0.093 nan 8.250 nan 0.000 0.450 469 F N 1.749 121.708 119.950 0.016 0.000 2.051 469 F HA -0.152 4.375 4.527 0.000 0.000 0.296 469 F C 1.808 177.372 175.800 -0.393 0.000 1.122 469 F CA 1.298 59.079 58.000 -0.364 0.000 1.201 469 F CB -0.436 38.446 39.000 -0.197 0.000 0.978 469 F HN -0.134 nan 8.300 nan 0.000 0.472 470 L N -0.457 120.586 121.223 -0.300 0.000 2.081 470 L HA -0.279 4.061 4.340 0.000 0.000 0.212 470 L C 2.345 178.998 176.870 -0.362 0.000 1.080 470 L CA 1.256 55.883 54.840 -0.354 0.000 0.754 470 L CB -0.994 40.999 42.059 -0.110 0.000 0.893 470 L HN 0.084 nan 8.230 nan 0.000 0.433 471 V N -0.564 119.195 119.914 -0.259 0.000 2.237 471 V HA -0.312 3.808 4.120 0.000 0.000 0.245 471 V C 2.505 178.420 176.094 -0.299 0.000 1.046 471 V CA 2.032 64.208 62.300 -0.208 0.000 1.007 471 V CB -0.713 31.043 31.823 -0.111 0.000 0.638 471 V HN 0.555 nan 8.190 nan 0.000 0.445 472 Q N 0.609 120.169 119.800 -0.400 0.000 2.112 472 Q HA -0.274 4.066 4.340 0.000 0.000 0.206 472 Q C 2.137 177.805 176.000 -0.553 0.000 0.987 472 Q CA 2.602 58.108 55.803 -0.495 0.000 0.858 472 Q CB -0.378 27.868 28.738 -0.820 0.000 0.905 472 Q HN 0.610 nan 8.270 nan 0.000 0.420 473 A N 0.037 122.411 122.820 -0.742 0.000 2.067 473 A HA 0.244 4.564 4.320 0.000 0.000 0.219 473 A C 1.128 178.491 177.584 -0.368 0.000 1.158 473 A CA 1.560 53.219 52.037 -0.631 0.000 0.661 473 A CB -0.667 17.820 19.000 -0.854 0.000 0.801 473 A HN 0.730 nan 8.150 nan 0.000 0.452 474 G N 0.000 108.610 108.800 -0.317 0.000 5.446 474 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 474 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 474 G CA 0.000 44.980 45.100 -0.200 0.000 0.502 474 G HN 0.000 nan 8.290 nan 0.000 0.925