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 3nda_1_B DATA FIRST_RESID 1 DATA SEQUENCE MQEEAKLTKA NNRFGLRLLR ALPSGPEKNV FFSPYSVSTA MGMAFAGARG DATA SEQUENCE QTQQELSQGL GFSDVDLTDA GVLDAYTHHT ERLKSTPSNS TLDVANAAAI DATA SEQUENCE QRTLALLNSY ESALQSSFGA ELHKVDFAGE PQAAVDFVNN WVKRKTHDKI DATA SEQUENCE EKLFNEPLDP DTLLVLLNAI YFKGEWNTAF VKEHTEKRQF FNGGVTPVEV DATA SEQUENCE DTMRLEARIK YRFFDDLQVE VVELPYRGLD YTMAILLPKE NTGVEGLKQN DATA SEQUENCE LTIDRFQNYL SDLRERKITV LLPKFKLETK YSLKAPLQSL GIKQIFESGA DATA SEQUENCE DLSGINDGSL RVSAVEHKAV VEVNEEGTVA AATTGVVIVP YXXXXXPVVF DATA SEQUENCE RVDHPFLFFI RNTRTDDIFF VGQVNKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.013 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.584 32.600 -0.026 0.000 1.302 2 Q N -0.826 118.954 119.800 -0.035 0.000 2.481 2 Q HA -0.194 4.147 4.340 0.001 0.000 0.258 2 Q C 0.272 176.273 176.000 0.001 0.000 0.961 2 Q CA 1.747 57.535 55.803 -0.025 0.000 1.121 2 Q CB -1.931 26.792 28.738 -0.024 0.000 1.503 2 Q HN 0.871 nan 8.270 nan 0.000 0.544 3 E N 0.158 120.369 120.200 0.020 0.000 2.171 3 E HA -0.204 4.146 4.350 0.001 0.000 0.197 3 E C 1.367 177.966 176.600 -0.001 0.000 0.997 3 E CA 1.552 57.952 56.400 0.000 0.000 0.810 3 E CB 0.026 29.725 29.700 -0.002 0.000 0.738 3 E HN 0.570 nan 8.360 nan 0.000 0.467 4 E N 0.577 120.824 120.200 0.077 0.000 2.070 4 E HA -0.238 4.113 4.350 0.001 0.000 0.197 4 E C 1.976 178.673 176.600 0.162 0.000 1.004 4 E CA 1.512 58.020 56.400 0.181 0.000 0.805 4 E CB -0.458 29.360 29.700 0.196 0.000 0.744 4 E HN 0.346 nan 8.360 nan 0.000 0.451 5 A N 0.984 123.845 122.820 0.068 0.000 1.898 5 A HA -0.210 4.111 4.320 0.001 0.000 0.216 5 A C 1.959 179.563 177.584 0.033 0.000 1.181 5 A CA 1.633 53.697 52.037 0.044 0.000 0.620 5 A CB -0.338 18.670 19.000 0.013 0.000 0.819 5 A HN 0.096 nan 8.150 nan 0.000 0.442 6 K N -0.932 119.473 120.400 0.008 0.000 2.057 6 K HA -0.125 4.196 4.320 0.001 0.000 0.207 6 K C 1.916 178.506 176.600 -0.017 0.000 1.049 6 K CA 1.386 57.669 56.287 -0.006 0.000 0.931 6 K CB -0.363 32.123 32.500 -0.023 0.000 0.714 6 K HN 0.375 nan 8.250 nan 0.000 0.440 7 L N 1.329 122.507 121.223 -0.075 0.000 2.017 7 L HA -0.181 4.160 4.340 0.001 0.000 0.208 7 L C 2.030 178.875 176.870 -0.043 0.000 1.073 7 L CA 1.951 56.686 54.840 -0.174 0.000 0.745 7 L CB -0.852 40.885 42.059 -0.537 0.000 0.894 7 L HN 0.124 nan 8.230 nan 0.000 0.432 8 T N -0.389 114.223 114.554 0.096 0.000 2.684 8 T HA -0.271 4.080 4.350 0.001 0.000 0.267 8 T C 1.902 176.648 174.700 0.076 0.000 1.036 8 T CA 1.891 64.079 62.100 0.146 0.000 1.148 8 T CB -0.220 68.726 68.868 0.131 0.000 0.863 8 T HN 0.344 nan 8.240 nan 0.000 0.436 9 K N 0.850 121.280 120.400 0.050 0.000 2.032 9 K HA -0.097 4.224 4.320 0.001 0.000 0.209 9 K C 2.527 179.156 176.600 0.048 0.000 1.048 9 K CA 1.362 57.672 56.287 0.039 0.000 0.927 9 K CB -0.358 32.157 32.500 0.025 0.000 0.712 9 K HN 0.281 nan 8.250 nan 0.000 0.441 10 A N 1.592 124.444 122.820 0.053 0.000 1.883 10 A HA -0.213 4.108 4.320 0.001 0.000 0.217 10 A C 1.839 179.471 177.584 0.080 0.000 1.186 10 A CA 1.957 54.033 52.037 0.065 0.000 0.624 10 A CB -0.775 18.297 19.000 0.120 0.000 0.822 10 A HN 0.404 nan 8.150 nan 0.000 0.444 11 N N 0.645 119.393 118.700 0.079 0.000 2.104 11 N HA -0.135 4.606 4.740 0.001 0.000 0.190 11 N C 1.436 177.043 175.510 0.163 0.000 1.024 11 N CA 1.522 54.644 53.050 0.119 0.000 0.853 11 N CB -0.569 37.979 38.487 0.102 0.000 1.008 11 N HN 0.487 nan 8.380 nan 0.000 0.424 12 N N 0.790 119.551 118.700 0.100 0.000 2.142 12 N HA -0.044 4.697 4.740 0.001 0.000 0.186 12 N C 1.717 177.259 175.510 0.053 0.000 1.023 12 N CA 0.771 53.859 53.050 0.062 0.000 0.852 12 N CB -0.143 38.370 38.487 0.042 0.000 0.998 12 N HN 0.306 nan 8.380 nan 0.000 0.424 13 R N -0.455 120.083 120.500 0.063 0.000 2.075 13 R HA -0.030 4.310 4.340 0.001 0.000 0.232 13 R C 2.006 178.342 176.300 0.060 0.000 1.126 13 R CA 0.843 56.968 56.100 0.042 0.000 0.963 13 R CB -0.459 29.863 30.300 0.037 0.000 0.858 13 R HN 0.213 nan 8.270 nan 0.000 0.435 14 F N 1.059 120.983 119.950 -0.043 0.000 2.126 14 F HA -0.102 4.426 4.527 0.001 0.000 0.299 14 F C 2.073 177.867 175.800 -0.011 0.000 1.096 14 F CA 1.762 59.730 58.000 -0.054 0.000 1.255 14 F CB -0.624 38.325 39.000 -0.086 0.000 0.997 14 F HN -0.008 nan 8.300 nan 0.000 0.479 15 G N 0.536 109.339 108.800 0.006 0.000 2.418 15 G HA2 -0.272 3.689 3.960 0.001 0.000 0.217 15 G HA3 -0.272 3.689 3.960 0.001 0.000 0.217 15 G C 1.556 176.433 174.900 -0.039 0.000 1.158 15 G CA 0.942 46.019 45.100 -0.038 0.000 0.771 15 G HN 0.440 nan 8.290 nan 0.000 0.545 16 L N 0.422 121.618 121.223 -0.044 0.000 2.093 16 L HA 0.156 4.497 4.340 0.001 0.000 0.208 16 L C 2.810 179.620 176.870 -0.100 0.000 1.085 16 L CA 1.453 56.273 54.840 -0.033 0.000 0.755 16 L CB -0.463 41.575 42.059 -0.034 0.000 0.904 16 L HN 0.102 nan 8.230 nan 0.000 0.435 17 R N -1.084 119.319 120.500 -0.162 0.000 2.081 17 R HA -0.151 4.190 4.340 0.001 0.000 0.235 17 R C 2.135 178.250 176.300 -0.307 0.000 1.131 17 R CA 1.572 57.553 56.100 -0.199 0.000 0.960 17 R CB -0.587 29.606 30.300 -0.178 0.000 0.856 17 R HN 0.310 nan 8.270 nan 0.000 0.436 18 L N 1.012 121.941 121.223 -0.491 0.000 2.093 18 L HA -0.105 4.235 4.340 0.001 0.000 0.208 18 L C 2.048 178.583 176.870 -0.559 0.000 1.085 18 L CA 1.291 55.765 54.840 -0.610 0.000 0.755 18 L CB -0.565 40.974 42.059 -0.867 0.000 0.904 18 L HN 0.105 nan 8.230 nan 0.000 0.435 19 L N -0.053 120.979 121.223 -0.318 0.000 2.013 19 L HA -0.238 4.102 4.340 0.001 0.000 0.212 19 L C 2.578 179.313 176.870 -0.225 0.000 1.073 19 L CA 1.885 56.592 54.840 -0.222 0.000 0.753 19 L CB -0.631 41.455 42.059 0.045 0.000 0.890 19 L HN 0.257 nan 8.230 nan 0.000 0.432 20 R N -0.787 119.611 120.500 -0.170 0.000 2.235 20 R HA 0.038 4.379 4.340 0.001 0.000 0.213 20 R C 2.000 178.206 176.300 -0.156 0.000 1.059 20 R CA 0.802 56.825 56.100 -0.128 0.000 0.997 20 R CB -0.348 29.898 30.300 -0.090 0.000 0.884 20 R HN 0.554 nan 8.270 nan 0.000 0.462 21 A N 0.795 123.479 122.820 -0.226 0.000 2.081 21 A HA 0.133 4.454 4.320 0.001 0.000 0.214 21 A C 0.976 178.414 177.584 -0.243 0.000 1.158 21 A CA 0.060 51.966 52.037 -0.219 0.000 0.724 21 A CB 0.104 18.959 19.000 -0.242 0.000 0.826 21 A HN 0.068 nan 8.150 nan 0.000 0.463 22 L N 1.537 122.562 121.223 -0.331 0.000 2.417 22 L HA 0.242 4.583 4.340 0.001 0.000 0.268 22 L C -2.012 174.766 176.870 -0.153 0.000 1.158 22 L CA -1.960 52.678 54.840 -0.336 0.000 0.819 22 L CB 0.286 41.988 42.059 -0.594 0.000 1.112 22 L HN 0.113 nan 8.230 nan 0.000 0.458 23 P HA 0.011 nan 4.420 nan 0.000 0.268 23 P C -0.221 177.091 177.300 0.021 0.000 1.204 23 P CA -0.058 63.043 63.100 0.001 0.000 0.768 23 P CB 0.938 32.667 31.700 0.049 0.000 0.842 24 S N 0.362 116.068 115.700 0.010 0.000 3.101 24 S HA 0.283 4.753 4.470 0.001 0.000 0.252 24 S C 0.760 175.375 174.600 0.025 0.000 0.920 24 S CA -0.344 57.868 58.200 0.019 0.000 1.158 24 S CB -0.555 62.642 63.200 -0.004 0.000 1.125 24 S HN 0.578 nan 8.310 nan 0.000 0.608 25 G N 3.127 111.942 108.800 0.025 0.000 2.720 25 G HA2 0.329 4.290 3.960 0.001 0.000 0.237 25 G HA3 0.329 4.290 3.960 0.001 0.000 0.237 25 G C -0.960 173.963 174.900 0.038 0.000 1.239 25 G CA -0.788 44.329 45.100 0.028 0.000 0.847 25 G HN 0.257 nan 8.290 nan 0.000 0.593 26 P HA -0.092 nan 4.420 nan 0.000 0.226 26 P C 1.058 178.394 177.300 0.060 0.000 1.146 26 P CA 1.078 64.213 63.100 0.058 0.000 0.773 26 P CB 0.288 32.023 31.700 0.058 0.000 0.772 27 E N 0.363 120.591 120.200 0.047 0.000 2.465 27 E HA 0.062 4.413 4.350 0.001 0.000 0.191 27 E C 0.254 176.877 176.600 0.037 0.000 1.053 27 E CA 0.043 56.467 56.400 0.041 0.000 0.869 27 E CB 0.080 29.799 29.700 0.032 0.000 0.977 27 E HN 0.194 nan 8.360 nan 0.000 0.483 28 K N 0.684 121.109 120.400 0.042 0.000 2.550 28 K HA 0.274 4.594 4.320 0.001 0.000 0.252 28 K C -1.048 175.582 176.600 0.050 0.000 0.943 28 K CA -0.653 55.659 56.287 0.042 0.000 0.806 28 K CB 1.260 33.786 32.500 0.044 0.000 1.289 28 K HN -0.164 nan 8.250 nan 0.000 0.435 29 N N 1.391 120.123 118.700 0.053 0.000 2.493 29 N HA 0.294 5.035 4.740 0.001 0.000 0.275 29 N C -0.928 174.665 175.510 0.138 0.000 1.186 29 N CA -0.346 52.743 53.050 0.064 0.000 0.978 29 N CB 1.575 40.090 38.487 0.048 0.000 1.184 29 N HN 0.177 nan 8.380 nan 0.000 0.487 30 V N 1.779 121.785 119.914 0.153 0.000 2.495 30 V HA 0.541 4.662 4.120 0.001 0.000 0.298 30 V C -0.825 175.490 176.094 0.368 0.000 1.031 30 V CA -0.705 61.743 62.300 0.247 0.000 0.871 30 V CB 0.866 32.752 31.823 0.105 0.000 0.988 30 V HN 0.583 nan 8.190 nan 0.000 0.432 31 F N 7.139 127.301 119.950 0.354 0.000 2.623 31 F HA 0.780 5.308 4.527 0.001 0.000 0.323 31 F C -1.349 174.817 175.800 0.610 0.000 1.158 31 F CA -0.746 57.465 58.000 0.351 0.000 1.030 31 F CB 1.627 40.795 39.000 0.280 0.000 1.280 31 F HN 0.536 nan 8.300 nan 0.000 0.474 32 F N 2.278 121.850 119.950 -0.631 0.000 2.773 32 F HA 0.633 5.160 4.527 0.001 0.000 0.314 32 F C -1.671 173.961 175.800 -0.279 0.000 1.160 32 F CA -1.478 56.398 58.000 -0.206 0.000 0.920 32 F CB 1.058 39.957 39.000 -0.169 0.000 1.323 32 F HN 0.270 nan 8.300 nan 0.000 0.457 33 S N 2.849 118.558 115.700 0.014 0.000 2.474 33 S HA 0.468 4.939 4.470 0.001 0.000 0.320 33 S C -1.825 172.672 174.600 -0.173 0.000 1.067 33 S CA -1.644 56.376 58.200 -0.300 0.000 1.127 33 S CB 0.680 63.751 63.200 -0.215 0.000 0.971 33 S HN 0.540 nan 8.310 nan 0.000 0.472 34 P HA -0.128 nan 4.420 nan 0.000 0.218 34 P C 1.024 178.410 177.300 0.144 0.000 1.149 34 P CA 0.838 63.945 63.100 0.013 0.000 0.817 34 P CB -0.056 31.607 31.700 -0.061 0.000 0.785 35 Y N 1.206 121.483 120.300 -0.038 0.000 2.145 35 Y HA -0.198 4.353 4.550 0.001 0.000 0.286 35 Y C 2.946 178.943 175.900 0.162 0.000 1.145 35 Y CA 2.177 60.314 58.100 0.061 0.000 1.148 35 Y CB -0.860 37.613 38.460 0.022 0.000 0.981 35 Y HN -0.062 nan 8.280 nan 0.000 0.507 36 S N -0.996 114.856 115.700 0.253 0.000 2.359 36 S HA -0.189 4.281 4.470 0.001 0.000 0.224 36 S C 2.057 176.766 174.600 0.182 0.000 1.035 36 S CA 1.743 60.097 58.200 0.258 0.000 1.018 36 S CB -0.869 62.550 63.200 0.365 0.000 0.876 36 S HN 0.281 nan 8.310 nan 0.000 0.448 37 V N 1.294 121.310 119.914 0.171 0.000 2.295 37 V HA -0.118 4.003 4.120 0.001 0.000 0.246 37 V C 2.731 178.855 176.094 0.050 0.000 1.049 37 V CA 2.151 64.534 62.300 0.138 0.000 1.024 37 V CB -1.188 30.733 31.823 0.162 0.000 0.648 37 V HN 0.489 nan 8.190 nan 0.000 0.447 38 S N -0.128 115.581 115.700 0.014 0.000 2.365 38 S HA -0.244 4.227 4.470 0.001 0.000 0.225 38 S C 2.096 176.632 174.600 -0.107 0.000 1.039 38 S CA 2.190 60.285 58.200 -0.176 0.000 1.033 38 S CB -0.488 62.634 63.200 -0.130 0.000 0.887 38 S HN 0.716 nan 8.310 nan 0.000 0.447 39 T N 2.246 116.729 114.554 -0.117 0.000 2.674 39 T HA -0.057 4.293 4.350 0.001 0.000 0.265 39 T C 2.146 176.688 174.700 -0.263 0.000 1.039 39 T CA 1.306 63.300 62.100 -0.175 0.000 1.150 39 T CB -0.580 68.260 68.868 -0.047 0.000 0.864 39 T HN 0.468 nan 8.240 nan 0.000 0.427 40 A N 1.780 124.525 122.820 -0.126 0.000 1.902 40 A HA -0.073 4.248 4.320 0.001 0.000 0.217 40 A C 2.296 179.786 177.584 -0.157 0.000 1.181 40 A CA 1.412 53.373 52.037 -0.128 0.000 0.623 40 A CB -0.568 18.442 19.000 0.016 0.000 0.818 40 A HN 0.306 nan 8.150 nan 0.000 0.443 41 M N -0.495 119.036 119.600 -0.116 0.000 2.229 41 M HA -0.064 4.417 4.480 0.001 0.000 0.264 41 M C 2.269 178.531 176.300 -0.064 0.000 1.063 41 M CA 1.271 56.513 55.300 -0.097 0.000 1.114 41 M CB -1.874 30.641 32.600 -0.141 0.000 1.387 41 M HN 0.473 nan 8.290 nan 0.000 0.420 42 G N -0.109 108.622 108.800 -0.115 0.000 2.432 42 G HA2 -0.193 3.768 3.960 0.001 0.000 0.219 42 G HA3 -0.193 3.768 3.960 0.001 0.000 0.219 42 G C 1.641 176.464 174.900 -0.128 0.000 1.135 42 G CA 0.483 45.587 45.100 0.007 0.000 0.767 42 G HN 0.379 nan 8.290 nan 0.000 0.550 43 M N 0.638 119.846 119.600 -0.654 0.000 2.229 43 M HA 0.040 4.520 4.480 0.001 0.000 0.264 43 M C 3.024 179.278 176.300 -0.076 0.000 1.063 43 M CA 1.224 56.118 55.300 -0.676 0.000 1.114 43 M CB -0.185 31.957 32.600 -0.763 0.000 1.387 43 M HN 0.327 nan 8.290 nan 0.000 0.420 44 A N 0.221 123.022 122.820 -0.032 0.000 1.873 44 A HA -0.175 4.146 4.320 0.001 0.000 0.215 44 A C 1.978 179.615 177.584 0.088 0.000 1.186 44 A CA 1.133 53.188 52.037 0.030 0.000 0.616 44 A CB -1.005 17.982 19.000 -0.022 0.000 0.823 44 A HN 0.508 nan 8.150 nan 0.000 0.442 45 F N 1.412 121.367 119.950 0.007 0.000 2.154 45 F HA -0.195 4.332 4.527 0.001 0.000 0.301 45 F C 2.372 178.239 175.800 0.112 0.000 1.087 45 F CA 1.374 59.419 58.000 0.075 0.000 1.274 45 F CB -0.328 38.784 39.000 0.187 0.000 1.009 45 F HN 0.239 nan 8.300 nan 0.000 0.485 46 A N -0.201 122.758 122.820 0.231 0.000 2.076 46 A HA -0.025 4.296 4.320 0.001 0.000 0.220 46 A C 2.198 179.856 177.584 0.124 0.000 1.160 46 A CA 1.554 53.715 52.037 0.206 0.000 0.653 46 A CB -1.499 17.738 19.000 0.395 0.000 0.801 46 A HN 0.544 nan 8.150 nan 0.000 0.455 47 G N -1.961 106.844 108.800 0.008 0.000 3.324 47 G HA2 0.487 4.447 3.960 0.001 0.000 0.251 47 G HA3 0.487 4.447 3.960 0.001 0.000 0.251 47 G C 0.354 175.095 174.900 -0.264 0.000 1.072 47 G CA 0.654 45.585 45.100 -0.282 0.000 0.787 47 G HN 0.710 nan 8.290 nan 0.000 0.537 48 A N 0.503 123.178 122.820 -0.242 0.000 2.293 48 A HA 0.905 5.226 4.320 0.001 0.000 0.302 48 A C 0.185 177.640 177.584 -0.215 0.000 1.119 48 A CA -0.496 51.413 52.037 -0.213 0.000 0.823 48 A CB 1.096 19.984 19.000 -0.187 0.000 1.097 48 A HN 0.309 nan 8.150 nan 0.000 0.491 49 R N -0.084 120.330 120.500 -0.144 0.000 2.869 49 R HA 0.680 5.020 4.340 0.001 0.000 0.263 49 R C 0.627 176.885 176.300 -0.070 0.000 1.066 49 R CA -0.156 55.877 56.100 -0.111 0.000 0.960 49 R CB 1.572 31.818 30.300 -0.090 0.000 1.221 49 R HN 1.658 nan 8.270 nan 0.000 0.474 50 G N 0.813 109.584 108.800 -0.049 0.000 2.582 50 G HA2 -0.327 3.634 3.960 0.001 0.000 0.288 50 G HA3 -0.327 3.634 3.960 0.001 0.000 0.288 50 G C 0.488 175.378 174.900 -0.017 0.000 1.247 50 G CA 0.214 45.298 45.100 -0.027 0.000 0.972 50 G HN 0.508 nan 8.290 nan 0.000 0.557 51 Q N -0.279 119.514 119.800 -0.011 0.000 2.230 51 Q HA -0.022 4.319 4.340 0.001 0.000 0.202 51 Q C 2.965 178.961 176.000 -0.007 0.000 0.963 51 Q CA 2.003 57.804 55.803 -0.003 0.000 0.866 51 Q CB -0.830 27.906 28.738 -0.004 0.000 0.931 51 Q HN 0.712 nan 8.270 nan 0.000 0.452 52 T N 1.260 115.800 114.554 -0.023 0.000 2.684 52 T HA -0.225 4.126 4.350 0.001 0.000 0.267 52 T C 1.818 176.508 174.700 -0.017 0.000 1.036 52 T CA 1.679 63.757 62.100 -0.037 0.000 1.148 52 T CB -0.124 68.709 68.868 -0.058 0.000 0.863 52 T HN 0.358 nan 8.240 nan 0.000 0.436 53 Q N 0.145 119.929 119.800 -0.026 0.000 2.084 53 Q HA -0.194 4.146 4.340 0.001 0.000 0.202 53 Q C 2.489 178.564 176.000 0.125 0.000 0.978 53 Q CA 1.400 57.202 55.803 -0.002 0.000 0.844 53 Q CB -0.095 28.561 28.738 -0.137 0.000 0.898 53 Q HN 0.348 nan 8.270 nan 0.000 0.426 54 Q N 0.849 120.694 119.800 0.074 0.000 2.061 54 Q HA -0.200 4.141 4.340 0.001 0.000 0.204 54 Q C 1.545 177.593 176.000 0.081 0.000 0.984 54 Q CA 2.074 57.931 55.803 0.090 0.000 0.846 54 Q CB -0.017 28.750 28.738 0.049 0.000 0.902 54 Q HN 0.428 nan 8.270 nan 0.000 0.421 55 E N -0.518 119.711 120.200 0.048 0.000 2.085 55 E HA -0.186 4.165 4.350 0.001 0.000 0.194 55 E C 2.011 178.621 176.600 0.017 0.000 0.994 55 E CA 1.216 57.631 56.400 0.026 0.000 0.801 55 E CB -0.159 29.547 29.700 0.009 0.000 0.743 55 E HN 0.353 nan 8.360 nan 0.000 0.453 56 L N 0.309 121.567 121.223 0.058 0.000 2.056 56 L HA -0.183 4.158 4.340 0.001 0.000 0.207 56 L C 2.692 179.507 176.870 -0.092 0.000 1.078 56 L CA 0.962 55.823 54.840 0.035 0.000 0.749 56 L CB -0.390 41.819 42.059 0.250 0.000 0.901 56 L HN 0.117 nan 8.230 nan 0.000 0.433 57 S N -0.684 115.094 115.700 0.131 0.000 2.368 57 S HA -0.273 4.198 4.470 0.001 0.000 0.225 57 S C 1.950 176.490 174.600 -0.100 0.000 1.030 57 S CA 1.721 59.970 58.200 0.083 0.000 0.999 57 S CB -0.058 63.365 63.200 0.373 0.000 0.844 57 S HN 0.382 nan 8.310 nan 0.000 0.459 58 Q N 0.768 120.547 119.800 -0.035 0.000 2.016 58 Q HA 0.082 4.423 4.340 0.001 0.000 0.200 58 Q C 2.125 178.066 176.000 -0.099 0.000 0.978 58 Q CA 2.199 57.976 55.803 -0.045 0.000 0.833 58 Q CB -1.284 27.452 28.738 -0.004 0.000 0.895 58 Q HN 0.528 nan 8.270 nan 0.000 0.427 59 G N 0.052 108.788 108.800 -0.106 0.000 2.408 59 G HA2 -0.144 3.817 3.960 0.001 0.000 0.217 59 G HA3 -0.144 3.817 3.960 0.001 0.000 0.217 59 G C 1.166 175.993 174.900 -0.121 0.000 1.150 59 G CA 0.734 45.795 45.100 -0.064 0.000 0.776 59 G HN 0.380 nan 8.290 nan 0.000 0.542 60 L N 0.099 121.040 121.223 -0.470 0.000 2.554 60 L HA 0.258 4.599 4.340 0.001 0.000 0.226 60 L C 2.085 178.524 176.870 -0.718 0.000 1.137 60 L CA 0.541 54.858 54.840 -0.872 0.000 0.863 60 L CB 0.113 41.321 42.059 -1.420 0.000 0.985 60 L HN 0.401 nan 8.230 nan 0.000 0.451 61 G N -1.180 107.352 108.800 -0.447 0.000 2.176 61 G HA2 -0.296 3.665 3.960 0.001 0.000 0.232 61 G HA3 -0.296 3.665 3.960 0.001 0.000 0.232 61 G C 0.556 175.424 174.900 -0.053 0.000 0.986 61 G CA 0.079 45.076 45.100 -0.171 0.000 0.643 61 G HN 0.141 nan 8.290 nan 0.000 0.522 62 F N 2.184 122.062 119.950 -0.120 0.000 2.102 62 F HA 0.027 4.555 4.527 0.001 0.000 0.298 62 F C 2.722 178.486 175.800 -0.060 0.000 1.105 62 F CA 1.670 59.594 58.000 -0.126 0.000 1.239 62 F CB -1.206 37.671 39.000 -0.205 0.000 0.991 62 F HN 0.233 nan 8.300 nan 0.000 0.474 63 S N -0.232 115.552 115.700 0.139 0.000 2.383 63 S HA -0.183 4.287 4.470 0.001 0.000 0.229 63 S C 1.553 176.188 174.600 0.059 0.000 1.030 63 S CA 1.554 59.808 58.200 0.091 0.000 1.002 63 S CB -0.379 62.858 63.200 0.062 0.000 0.829 63 S HN 0.339 nan 8.310 nan 0.000 0.467 64 D N 0.824 121.249 120.400 0.042 0.000 2.317 64 D HA -0.013 4.627 4.640 0.001 0.000 0.211 64 D C 1.573 177.892 176.300 0.030 0.000 0.966 64 D CA 0.640 54.657 54.000 0.028 0.000 0.876 64 D CB 0.053 40.863 40.800 0.016 0.000 0.927 64 D HN 0.469 nan 8.370 nan 0.000 0.519 65 V N -2.610 117.331 119.914 0.045 0.000 3.444 65 V HA 0.199 4.320 4.120 0.001 0.000 0.308 65 V C -0.320 175.791 176.094 0.028 0.000 1.371 65 V CA -0.270 62.051 62.300 0.034 0.000 1.141 65 V CB -0.120 31.726 31.823 0.038 0.000 1.037 65 V HN -0.197 nan 8.190 nan 0.000 0.433 66 D N 0.389 120.811 120.400 0.036 0.000 2.705 66 D HA -0.146 4.495 4.640 0.001 0.000 0.240 66 D C -0.612 175.699 176.300 0.019 0.000 1.137 66 D CA 0.857 54.874 54.000 0.029 0.000 0.677 66 D CB -1.018 39.793 40.800 0.018 0.000 1.049 66 D HN 0.477 nan 8.370 nan 0.000 0.427 67 L N 1.124 122.362 121.223 0.024 0.000 2.276 67 L HA 0.401 4.741 4.340 0.001 0.000 0.286 67 L C 1.033 177.901 176.870 -0.003 0.000 1.024 67 L CA -0.317 54.508 54.840 -0.024 0.000 0.826 67 L CB 1.068 43.070 42.059 -0.094 0.000 1.211 67 L HN 0.201 nan 8.230 nan 0.000 0.422 68 T N -0.203 114.353 114.554 0.002 0.000 2.748 68 T HA 0.072 4.423 4.350 0.001 0.000 0.304 68 T C 0.905 175.635 174.700 0.050 0.000 1.041 68 T CA -0.261 61.862 62.100 0.038 0.000 1.033 68 T CB 0.503 69.389 68.868 0.030 0.000 0.995 68 T HN 0.587 nan 8.240 nan 0.000 0.536 69 D N 0.978 121.454 120.400 0.125 0.000 2.144 69 D HA -0.067 4.574 4.640 0.001 0.000 0.199 69 D C 2.347 178.721 176.300 0.123 0.000 0.984 69 D CA 1.684 55.816 54.000 0.220 0.000 0.834 69 D CB -0.812 40.083 40.800 0.159 0.000 0.955 69 D HN 0.748 nan 8.370 nan 0.000 0.465 70 A N 0.951 123.802 122.820 0.051 0.000 1.898 70 A HA 0.003 4.324 4.320 0.001 0.000 0.216 70 A C 2.419 179.992 177.584 -0.017 0.000 1.181 70 A CA 1.947 53.995 52.037 0.018 0.000 0.620 70 A CB -1.086 17.920 19.000 0.010 0.000 0.819 70 A HN 0.295 nan 8.150 nan 0.000 0.442 71 G N -0.328 108.453 108.800 -0.032 0.000 2.469 71 G HA2 -0.174 3.787 3.960 0.001 0.000 0.220 71 G HA3 -0.174 3.787 3.960 0.001 0.000 0.220 71 G C 1.505 176.315 174.900 -0.151 0.000 1.136 71 G CA 1.364 46.421 45.100 -0.071 0.000 0.759 71 G HN 0.326 nan 8.290 nan 0.000 0.562 72 V N 0.930 120.715 119.914 -0.215 0.000 2.295 72 V HA -0.143 3.977 4.120 0.001 0.000 0.246 72 V C 2.925 178.909 176.094 -0.183 0.000 1.049 72 V CA 1.591 63.657 62.300 -0.390 0.000 1.024 72 V CB -0.480 30.954 31.823 -0.648 0.000 0.648 72 V HN 0.358 nan 8.190 nan 0.000 0.447 73 L N -0.252 120.936 121.223 -0.058 0.000 2.046 73 L HA -0.188 4.153 4.340 0.001 0.000 0.208 73 L C 2.379 179.150 176.870 -0.166 0.000 1.077 73 L CA 1.607 56.409 54.840 -0.064 0.000 0.747 73 L CB -0.784 41.270 42.059 -0.009 0.000 0.896 73 L HN 0.334 nan 8.230 nan 0.000 0.432 74 D N 0.233 120.538 120.400 -0.157 0.000 2.117 74 D HA -0.147 4.494 4.640 0.001 0.000 0.197 74 D C 2.240 178.365 176.300 -0.292 0.000 0.987 74 D CA 1.490 55.350 54.000 -0.233 0.000 0.829 74 D CB -0.073 40.678 40.800 -0.082 0.000 0.961 74 D HN 0.293 nan 8.370 nan 0.000 0.460 75 A N -0.050 122.658 122.820 -0.187 0.000 1.902 75 A HA -0.211 4.109 4.320 0.001 0.000 0.217 75 A C 2.064 179.471 177.584 -0.294 0.000 1.181 75 A CA 1.136 53.061 52.037 -0.186 0.000 0.623 75 A CB -1.052 17.745 19.000 -0.337 0.000 0.818 75 A HN 0.217 nan 8.150 nan 0.000 0.443 76 Y N 0.900 120.995 120.300 -0.342 0.000 2.181 76 Y HA -0.176 4.375 4.550 0.001 0.000 0.288 76 Y C 2.985 178.708 175.900 -0.295 0.000 1.146 76 Y CA 1.808 59.673 58.100 -0.392 0.000 1.164 76 Y CB -1.068 36.959 38.460 -0.722 0.000 0.982 76 Y HN 0.313 nan 8.280 nan 0.000 0.515 77 T N -0.906 113.508 114.554 -0.234 0.000 2.699 77 T HA -0.232 4.119 4.350 0.001 0.000 0.268 77 T C 1.497 176.128 174.700 -0.115 0.000 1.036 77 T CA 1.994 63.949 62.100 -0.242 0.000 1.147 77 T CB -0.350 68.281 68.868 -0.395 0.000 0.862 77 T HN 0.438 nan 8.240 nan 0.000 0.446 78 H N 0.036 119.140 119.070 0.055 0.000 2.436 78 H HA 0.079 4.636 4.556 0.001 0.000 0.294 78 H C 2.327 177.752 175.328 0.161 0.000 1.048 78 H CA 0.895 56.996 56.048 0.088 0.000 1.353 78 H CB -0.503 29.298 29.762 0.065 0.000 1.414 78 H HN 0.565 nan 8.280 nan 0.000 0.536 79 H N 0.128 119.282 119.070 0.140 0.000 2.293 79 H HA -0.097 4.460 4.556 0.001 0.000 0.300 79 H C 1.927 177.390 175.328 0.224 0.000 1.082 79 H CA 1.733 57.894 56.048 0.189 0.000 1.308 79 H CB 0.258 30.152 29.762 0.220 0.000 1.375 79 H HN 0.255 nan 8.280 nan 0.000 0.495 80 T N 0.804 115.559 114.554 0.334 0.000 2.665 80 T HA -0.171 4.179 4.350 0.001 0.000 0.268 80 T C 1.818 176.632 174.700 0.190 0.000 1.035 80 T CA 1.641 63.894 62.100 0.256 0.000 1.151 80 T CB -0.275 68.697 68.868 0.173 0.000 0.862 80 T HN 0.476 nan 8.240 nan 0.000 0.438 81 E N 0.790 121.084 120.200 0.156 0.000 2.058 81 E HA -0.193 4.157 4.350 0.001 0.000 0.194 81 E C 2.489 179.163 176.600 0.123 0.000 0.997 81 E CA 1.186 57.664 56.400 0.130 0.000 0.801 81 E CB -0.186 29.595 29.700 0.135 0.000 0.746 81 E HN 0.568 nan 8.360 nan 0.000 0.450 82 R N 1.033 121.610 120.500 0.129 0.000 2.115 82 R HA -0.077 4.264 4.340 0.001 0.000 0.226 82 R C 2.211 178.572 176.300 0.100 0.000 1.100 82 R CA 0.971 57.127 56.100 0.093 0.000 0.980 82 R CB -0.557 29.779 30.300 0.059 0.000 0.875 82 R HN 0.131 nan 8.270 nan 0.000 0.445 83 L N 0.715 122.019 121.223 0.135 0.000 2.083 83 L HA -0.106 4.235 4.340 0.001 0.000 0.209 83 L C 2.275 179.215 176.870 0.118 0.000 1.083 83 L CA 1.246 56.170 54.840 0.141 0.000 0.752 83 L CB -0.261 41.918 42.059 0.201 0.000 0.899 83 L HN 0.155 nan 8.230 nan 0.000 0.433 84 K N -0.519 119.951 120.400 0.117 0.000 2.243 84 K HA 0.021 4.341 4.320 0.001 0.000 0.201 84 K C 2.206 178.854 176.600 0.079 0.000 1.051 84 K CA 1.319 57.665 56.287 0.098 0.000 0.970 84 K CB 0.087 32.647 32.500 0.100 0.000 0.755 84 K HN 0.379 nan 8.250 nan 0.000 0.465 85 S N -0.718 115.029 115.700 0.078 0.000 2.497 85 S HA 0.056 4.526 4.470 0.001 0.000 0.218 85 S C 0.793 175.428 174.600 0.059 0.000 1.023 85 S CA -0.291 57.947 58.200 0.063 0.000 0.913 85 S CB -0.076 63.160 63.200 0.060 0.000 0.800 85 S HN -0.021 nan 8.310 nan 0.000 0.505 86 T N 5.548 120.142 114.554 0.067 0.000 2.761 86 T HA 0.486 4.836 4.350 0.001 0.000 0.296 86 T C -2.302 172.443 174.700 0.074 0.000 0.934 86 T CA -0.938 61.202 62.100 0.066 0.000 1.091 86 T CB 0.834 69.744 68.868 0.071 0.000 0.896 86 T HN 0.349 nan 8.240 nan 0.000 0.515 87 P HA 0.581 nan 4.420 nan 0.000 0.279 87 P C -0.762 176.592 177.300 0.090 0.000 1.252 87 P CA -0.618 62.522 63.100 0.066 0.000 0.811 87 P CB 1.092 32.822 31.700 0.050 0.000 1.035 88 S N -0.292 115.462 115.700 0.089 0.000 2.558 88 S HA 0.210 4.680 4.470 0.001 0.000 0.277 88 S C 0.456 175.100 174.600 0.072 0.000 1.143 88 S CA -0.683 57.591 58.200 0.123 0.000 0.865 88 S CB 0.307 63.643 63.200 0.227 0.000 1.102 88 S HN 0.382 nan 8.310 nan 0.000 0.454 89 N N 1.149 119.897 118.700 0.081 0.000 2.309 89 N HA 0.028 4.768 4.740 0.001 0.000 0.182 89 N C 0.391 175.887 175.510 -0.024 0.000 1.018 89 N CA 0.870 53.943 53.050 0.038 0.000 0.876 89 N CB 0.089 38.614 38.487 0.063 0.000 0.972 89 N HN 0.385 nan 8.380 nan 0.000 0.434 90 S N -0.482 115.201 115.700 -0.027 0.000 2.652 90 S HA 0.296 4.766 4.470 0.001 0.000 0.270 90 S C 0.051 174.491 174.600 -0.267 0.000 1.243 90 S CA -0.539 57.518 58.200 -0.238 0.000 0.999 90 S CB 1.508 64.540 63.200 -0.280 0.000 0.973 90 S HN 0.016 nan 8.310 nan 0.000 0.544 91 T N 3.208 117.500 114.554 -0.437 0.000 2.767 91 T HA 0.460 4.810 4.350 0.001 0.000 0.284 91 T C -0.958 173.538 174.700 -0.341 0.000 0.973 91 T CA -0.408 61.517 62.100 -0.292 0.000 0.996 91 T CB 0.455 69.206 68.868 -0.195 0.000 0.927 91 T HN 0.274 nan 8.240 nan 0.000 0.456 92 L N 4.247 125.360 121.223 -0.184 0.000 2.471 92 L HA 0.439 4.780 4.340 0.001 0.000 0.263 92 L C -1.490 175.353 176.870 -0.044 0.000 0.985 92 L CA -0.516 54.224 54.840 -0.167 0.000 0.868 92 L CB 1.377 43.240 42.059 -0.327 0.000 1.203 92 L HN 0.580 nan 8.230 nan 0.000 0.429 93 D N 3.830 124.258 120.400 0.048 0.000 2.308 93 D HA 0.529 5.170 4.640 0.001 0.000 0.242 93 D C -0.430 175.954 176.300 0.140 0.000 1.059 93 D CA -0.066 54.003 54.000 0.115 0.000 0.830 93 D CB 2.977 43.890 40.800 0.187 0.000 1.161 93 D HN 0.155 nan 8.370 nan 0.000 0.494 94 V N 1.195 121.204 119.914 0.158 0.000 2.540 94 V HA 0.822 4.942 4.120 0.001 0.000 0.302 94 V C -0.185 176.051 176.094 0.235 0.000 1.035 94 V CA -0.760 61.679 62.300 0.231 0.000 0.873 94 V CB 1.700 33.714 31.823 0.318 0.000 0.992 94 V HN 0.698 nan 8.190 nan 0.000 0.428 95 A N 4.362 127.337 122.820 0.259 0.000 2.435 95 A HA 0.907 5.228 4.320 0.001 0.000 0.304 95 A C -0.893 176.992 177.584 0.501 0.000 1.064 95 A CA -0.750 51.472 52.037 0.308 0.000 0.727 95 A CB 1.521 20.598 19.000 0.128 0.000 1.284 95 A HN 0.716 nan 8.150 nan 0.000 0.415 96 N N -0.134 118.867 118.700 0.502 0.000 2.240 96 N HA 0.805 5.546 4.740 0.001 0.000 0.302 96 N C -0.801 174.917 175.510 0.346 0.000 1.106 96 N CA -0.068 53.222 53.050 0.399 0.000 0.778 96 N CB 2.295 40.937 38.487 0.258 0.000 1.431 96 N HN 1.056 nan 8.380 nan 0.000 0.479 97 A N 0.100 122.936 122.820 0.027 0.000 2.609 97 A HA 0.863 5.184 4.320 0.001 0.000 0.291 97 A C -1.671 175.813 177.584 -0.166 0.000 1.096 97 A CA -0.673 51.303 52.037 -0.102 0.000 0.684 97 A CB 1.422 20.156 19.000 -0.444 0.000 1.282 97 A HN 0.646 nan 8.150 nan 0.000 0.412 98 A N 0.247 123.029 122.820 -0.064 0.000 2.335 98 A HA 0.789 5.110 4.320 0.001 0.000 0.304 98 A C -0.076 177.533 177.584 0.041 0.000 1.118 98 A CA 0.144 52.166 52.037 -0.025 0.000 0.757 98 A CB 0.911 19.904 19.000 -0.012 0.000 1.188 98 A HN 2.355 nan 8.150 nan 0.000 0.460 99 A N 3.198 126.065 122.820 0.079 0.000 2.252 99 A HA 0.692 5.013 4.320 0.001 0.000 0.309 99 A C -0.424 177.284 177.584 0.206 0.000 1.285 99 A CA -0.193 51.915 52.037 0.118 0.000 0.900 99 A CB -0.307 18.814 19.000 0.202 0.000 1.157 99 A HN 0.740 nan 8.150 nan 0.000 0.536 100 I N 1.617 122.236 120.570 0.082 0.000 2.465 100 I HA 0.257 4.427 4.170 0.001 0.000 0.291 100 I C 0.082 176.240 176.117 0.069 0.000 1.014 100 I CA -0.967 60.414 61.300 0.136 0.000 1.093 100 I CB 1.979 40.014 38.000 0.059 0.000 1.267 100 I HN 0.704 nan 8.210 nan 0.000 0.431 101 Q N 4.821 124.751 119.800 0.217 0.000 2.269 101 Q HA -0.034 4.307 4.340 0.001 0.000 0.300 101 Q C 1.135 177.143 176.000 0.012 0.000 1.070 101 Q CA 0.730 56.611 55.803 0.130 0.000 0.957 101 Q CB 0.546 29.410 28.738 0.210 0.000 1.131 101 Q HN 0.517 nan 8.270 nan 0.000 0.377 102 R N 2.014 122.483 120.500 -0.051 0.000 2.211 102 R HA -0.144 4.197 4.340 0.001 0.000 0.240 102 R C 0.877 177.162 176.300 -0.026 0.000 1.144 102 R CA 1.845 57.911 56.100 -0.055 0.000 0.992 102 R CB -0.004 30.250 30.300 -0.077 0.000 0.869 102 R HN 0.849 nan 8.270 nan 0.000 0.462 103 T N -2.150 112.399 114.554 -0.009 0.000 3.105 103 T HA 0.156 4.506 4.350 0.001 0.000 0.253 103 T C 0.233 174.933 174.700 0.000 0.000 1.047 103 T CA -0.490 61.606 62.100 -0.005 0.000 0.944 103 T CB 0.229 69.094 68.868 -0.004 0.000 1.016 103 T HN 0.008 nan 8.240 nan 0.000 0.544 104 L N 2.765 123.994 121.223 0.010 0.000 2.290 104 L HA 0.712 5.052 4.340 0.001 0.000 0.284 104 L C -0.003 176.872 176.870 0.007 0.000 1.078 104 L CA -0.903 53.944 54.840 0.010 0.000 0.815 104 L CB 0.476 42.552 42.059 0.028 0.000 1.162 104 L HN 0.233 nan 8.230 nan 0.000 0.435 105 A N 7.037 129.857 122.820 -0.001 0.000 2.366 105 A HA 0.483 4.803 4.320 0.001 0.000 0.322 105 A C -0.248 177.342 177.584 0.011 0.000 1.397 105 A CA -0.554 51.485 52.037 0.002 0.000 0.984 105 A CB -0.526 18.471 19.000 -0.006 0.000 1.149 105 A HN 0.760 nan 8.150 nan 0.000 0.540 106 L N 2.434 123.679 121.223 0.035 0.000 2.439 106 L HA 0.206 4.547 4.340 0.001 0.000 0.269 106 L C 0.244 177.153 176.870 0.064 0.000 1.179 106 L CA -0.344 54.541 54.840 0.074 0.000 0.828 106 L CB 0.590 42.736 42.059 0.144 0.000 1.106 106 L HN 0.540 nan 8.230 nan 0.000 0.467 107 L N 2.661 123.928 121.223 0.074 0.000 2.456 107 L HA 0.021 4.361 4.340 0.001 0.000 0.272 107 L C 1.431 178.352 176.870 0.084 0.000 1.189 107 L CA -0.289 54.587 54.840 0.061 0.000 0.846 107 L CB 0.234 42.320 42.059 0.046 0.000 1.111 107 L HN 0.621 nan 8.230 nan 0.000 0.475 108 N N 0.979 119.707 118.700 0.047 0.000 2.094 108 N HA -0.189 4.552 4.740 0.001 0.000 0.191 108 N C 1.907 177.444 175.510 0.045 0.000 1.023 108 N CA 1.681 54.752 53.050 0.036 0.000 0.857 108 N CB -0.244 38.254 38.487 0.019 0.000 1.013 108 N HN 0.770 nan 8.380 nan 0.000 0.426 109 S N -0.237 115.497 115.700 0.057 0.000 2.383 109 S HA -0.182 4.288 4.470 0.001 0.000 0.229 109 S C 2.049 176.714 174.600 0.108 0.000 1.030 109 S CA 0.802 59.040 58.200 0.064 0.000 1.002 109 S CB -0.777 62.456 63.200 0.056 0.000 0.829 109 S HN 0.433 nan 8.310 nan 0.000 0.467 110 Y N 2.478 122.774 120.300 -0.006 0.000 2.220 110 Y HA 0.059 4.610 4.550 0.001 0.000 0.291 110 Y C 2.307 178.216 175.900 0.015 0.000 1.129 110 Y CA 1.386 59.486 58.100 -0.000 0.000 1.161 110 Y CB -0.548 37.903 38.460 -0.016 0.000 0.997 110 Y HN 0.313 nan 8.280 nan 0.000 0.522 111 E N -0.824 119.349 120.200 -0.044 0.000 2.058 111 E HA -0.266 4.085 4.350 0.001 0.000 0.194 111 E C 2.394 178.932 176.600 -0.102 0.000 0.997 111 E CA 1.564 57.897 56.400 -0.112 0.000 0.801 111 E CB -0.392 29.291 29.700 -0.029 0.000 0.746 111 E HN 0.391 nan 8.360 nan 0.000 0.450 112 S N 0.484 116.156 115.700 -0.046 0.000 2.359 112 S HA -0.201 4.270 4.470 0.001 0.000 0.224 112 S C 2.136 176.715 174.600 -0.035 0.000 1.035 112 S CA 1.331 59.513 58.200 -0.029 0.000 1.018 112 S CB -0.178 63.018 63.200 -0.006 0.000 0.876 112 S HN 0.332 nan 8.310 nan 0.000 0.448 113 A N 1.441 124.238 122.820 -0.038 0.000 1.902 113 A HA 0.060 4.380 4.320 0.001 0.000 0.217 113 A C 2.283 179.884 177.584 0.028 0.000 1.181 113 A CA 1.517 53.551 52.037 -0.004 0.000 0.623 113 A CB -0.832 18.200 19.000 0.054 0.000 0.818 113 A HN 0.593 nan 8.150 nan 0.000 0.443 114 L N -0.986 120.184 121.223 -0.087 0.000 2.046 114 L HA -0.251 4.089 4.340 0.001 0.000 0.208 114 L C 2.917 179.841 176.870 0.089 0.000 1.077 114 L CA 1.628 56.477 54.840 0.015 0.000 0.747 114 L CB -0.608 41.301 42.059 -0.250 0.000 0.896 114 L HN 0.501 nan 8.230 nan 0.000 0.432 115 Q N -0.480 119.324 119.800 0.006 0.000 2.083 115 Q HA -0.146 4.194 4.340 0.001 0.000 0.198 115 Q C 2.488 178.501 176.000 0.021 0.000 0.969 115 Q CA 1.860 57.675 55.803 0.021 0.000 0.838 115 Q CB -0.054 28.682 28.738 -0.004 0.000 0.900 115 Q HN 0.602 nan 8.270 nan 0.000 0.436 116 S N -0.391 115.303 115.700 -0.010 0.000 2.377 116 S HA -0.001 4.470 4.470 0.001 0.000 0.223 116 S C 2.108 176.648 174.600 -0.101 0.000 1.030 116 S CA 0.993 59.169 58.200 -0.040 0.000 0.970 116 S CB -0.127 63.045 63.200 -0.047 0.000 0.830 116 S HN 0.068 nan 8.310 nan 0.000 0.473 117 S N 0.643 116.237 115.700 -0.176 0.000 2.414 117 S HA 0.309 4.780 4.470 0.001 0.000 0.227 117 S C 0.678 174.870 174.600 -0.679 0.000 1.022 117 S CA 0.699 58.611 58.200 -0.481 0.000 0.958 117 S CB -0.274 62.503 63.200 -0.706 0.000 0.797 117 S HN 0.638 nan 8.310 nan 0.000 0.493 118 F N -0.079 119.874 119.950 0.005 0.000 2.798 118 F HA 0.363 4.891 4.527 0.001 0.000 0.328 118 F C 1.481 177.321 175.800 0.067 0.000 1.098 118 F CA -0.187 57.826 58.000 0.022 0.000 1.172 118 F CB -0.023 38.943 39.000 -0.057 0.000 1.072 118 F HN 0.158 nan 8.300 nan 0.000 0.555 119 G N 1.847 110.747 108.800 0.167 0.000 2.341 119 G HA2 -0.153 3.807 3.960 0.001 0.000 0.292 119 G HA3 -0.153 3.807 3.960 0.001 0.000 0.292 119 G C 0.351 175.353 174.900 0.170 0.000 1.021 119 G CA 0.160 45.346 45.100 0.145 0.000 0.905 119 G HN 0.674 nan 8.290 nan 0.000 0.508 120 A N -0.221 122.695 122.820 0.160 0.000 2.450 120 A HA 0.563 4.884 4.320 0.001 0.000 0.255 120 A C 0.625 178.264 177.584 0.092 0.000 1.096 120 A CA -0.076 52.042 52.037 0.135 0.000 0.778 120 A CB 0.364 19.400 19.000 0.060 0.000 1.031 120 A HN 0.598 nan 8.150 nan 0.000 0.494 121 E N 1.110 121.396 120.200 0.144 0.000 2.360 121 E HA 0.262 4.613 4.350 0.001 0.000 0.269 121 E C -1.116 175.435 176.600 -0.083 0.000 1.022 121 E CA -0.294 56.137 56.400 0.051 0.000 0.887 121 E CB 0.627 30.494 29.700 0.279 0.000 0.990 121 E HN 0.376 nan 8.360 nan 0.000 0.426 122 L N 4.431 125.519 121.223 -0.225 0.000 2.280 122 L HA 0.234 4.575 4.340 0.001 0.000 0.287 122 L C -0.550 176.121 176.870 -0.331 0.000 1.023 122 L CA -0.245 54.483 54.840 -0.186 0.000 0.819 122 L CB 0.613 42.604 42.059 -0.113 0.000 1.212 122 L HN 0.502 nan 8.230 nan 0.000 0.420 123 H N 3.772 122.817 119.070 -0.041 0.000 2.589 123 H HA 0.354 4.911 4.556 0.001 0.000 0.335 123 H C -0.524 174.657 175.328 -0.245 0.000 1.019 123 H CA -0.689 55.278 56.048 -0.135 0.000 1.213 123 H CB 1.890 31.577 29.762 -0.125 0.000 1.472 123 H HN 0.398 nan 8.280 nan 0.000 0.508 124 K N 2.931 123.240 120.400 -0.150 0.000 2.234 124 K HA 0.372 4.693 4.320 0.001 0.000 0.282 124 K C 0.202 176.600 176.600 -0.336 0.000 1.039 124 K CA -0.445 55.726 56.287 -0.193 0.000 0.928 124 K CB 1.540 33.962 32.500 -0.129 0.000 1.039 124 K HN 0.372 nan 8.250 nan 0.000 0.470 125 V N -1.437 118.237 119.914 -0.401 0.000 3.167 125 V HA 0.456 4.577 4.120 0.001 0.000 0.310 125 V C -1.089 174.734 176.094 -0.451 0.000 1.207 125 V CA -0.993 60.995 62.300 -0.521 0.000 1.059 125 V CB 2.169 33.529 31.823 -0.771 0.000 1.079 125 V HN 0.628 nan 8.190 nan 0.000 0.446 126 D N -0.063 120.099 120.400 -0.395 0.000 2.460 126 D HA 0.451 5.092 4.640 0.001 0.000 0.268 126 D C 0.358 176.551 176.300 -0.178 0.000 1.153 126 D CA -0.529 53.334 54.000 -0.228 0.000 0.929 126 D CB 0.301 41.027 40.800 -0.124 0.000 1.015 126 D HN 0.414 nan 8.370 nan 0.000 0.502 127 F N 1.464 121.387 119.950 -0.045 0.000 2.216 127 F HA -0.039 4.488 4.527 0.001 0.000 0.300 127 F C 2.364 178.143 175.800 -0.034 0.000 1.085 127 F CA 1.093 59.067 58.000 -0.043 0.000 1.326 127 F CB -0.325 38.643 39.000 -0.052 0.000 1.027 127 F HN 0.441 nan 8.300 nan 0.000 0.497 128 A N -0.349 122.559 122.820 0.146 0.000 1.878 128 A HA 0.205 4.525 4.320 0.001 0.000 0.213 128 A C 2.479 180.087 177.584 0.040 0.000 1.192 128 A CA 1.310 53.394 52.037 0.079 0.000 0.619 128 A CB -1.307 17.728 19.000 0.057 0.000 0.837 128 A HN 0.343 nan 8.150 nan 0.000 0.446 129 G N -1.443 107.369 108.800 0.019 0.000 2.662 129 G HA2 0.219 4.179 3.960 0.001 0.000 0.212 129 G HA3 0.219 4.179 3.960 0.001 0.000 0.212 129 G C 0.361 175.261 174.900 -0.000 0.000 1.141 129 G CA 0.238 45.341 45.100 0.005 0.000 0.797 129 G HN 0.333 nan 8.290 nan 0.000 0.531 130 E N 0.167 120.362 120.200 -0.008 0.000 3.666 130 E HA 0.179 4.530 4.350 0.001 0.000 0.230 130 E C -2.071 174.528 176.600 -0.002 0.000 1.235 130 E CA -1.372 55.022 56.400 -0.011 0.000 1.096 130 E CB 1.905 31.585 29.700 -0.033 0.000 1.287 130 E HN 0.139 nan 8.360 nan 0.000 0.406 131 P HA -0.152 nan 4.420 nan 0.000 0.217 131 P C 1.531 178.868 177.300 0.061 0.000 1.150 131 P CA 1.016 64.156 63.100 0.066 0.000 0.832 131 P CB 0.595 32.336 31.700 0.069 0.000 0.787 132 Q N 0.224 120.051 119.800 0.045 0.000 2.079 132 Q HA -0.062 4.279 4.340 0.001 0.000 0.200 132 Q C 2.105 178.136 176.000 0.052 0.000 0.974 132 Q CA 1.850 57.683 55.803 0.050 0.000 0.840 132 Q CB -1.271 27.492 28.738 0.041 0.000 0.898 132 Q HN 0.105 nan 8.270 nan 0.000 0.430 133 A N 0.167 123.005 122.820 0.030 0.000 1.933 133 A HA -0.064 4.257 4.320 0.001 0.000 0.218 133 A C 2.251 179.856 177.584 0.036 0.000 1.175 133 A CA 1.798 53.853 52.037 0.030 0.000 0.628 133 A CB -1.087 17.912 19.000 -0.001 0.000 0.814 133 A HN 0.501 nan 8.150 nan 0.000 0.444 134 A N -0.952 121.854 122.820 -0.025 0.000 1.873 134 A HA 0.012 4.333 4.320 0.001 0.000 0.215 134 A C 2.303 179.937 177.584 0.084 0.000 1.186 134 A CA 1.686 53.660 52.037 -0.106 0.000 0.616 134 A CB -1.003 17.795 19.000 -0.337 0.000 0.823 134 A HN 0.614 nan 8.150 nan 0.000 0.442 135 V N 0.402 120.393 119.914 0.128 0.000 2.453 135 V HA -0.179 3.942 4.120 0.001 0.000 0.247 135 V C 1.924 178.127 176.094 0.182 0.000 1.048 135 V CA 2.506 64.907 62.300 0.169 0.000 1.049 135 V CB -0.677 31.224 31.823 0.130 0.000 0.672 135 V HN 0.537 nan 8.190 nan 0.000 0.457 136 D N -0.333 120.153 120.400 0.143 0.000 2.117 136 D HA -0.207 4.433 4.640 0.001 0.000 0.197 136 D C 1.829 178.208 176.300 0.133 0.000 0.987 136 D CA 1.703 55.776 54.000 0.123 0.000 0.829 136 D CB -0.398 40.458 40.800 0.095 0.000 0.961 136 D HN 0.550 nan 8.370 nan 0.000 0.460 137 F N 1.369 121.338 119.950 0.031 0.000 2.095 137 F HA -0.244 4.284 4.527 0.001 0.000 0.298 137 F C 2.204 178.054 175.800 0.082 0.000 1.104 137 F CA 1.161 59.174 58.000 0.021 0.000 1.232 137 F CB -0.279 38.692 39.000 -0.048 0.000 0.987 137 F HN -0.205 nan 8.300 nan 0.000 0.475 138 V N 1.129 121.194 119.914 0.252 0.000 2.287 138 V HA -0.360 3.760 4.120 0.001 0.000 0.248 138 V C 2.203 178.421 176.094 0.207 0.000 1.053 138 V CA 2.311 64.752 62.300 0.235 0.000 1.027 138 V CB -0.841 31.193 31.823 0.351 0.000 0.646 138 V HN 0.406 nan 8.190 nan 0.000 0.447 139 N N 0.521 119.339 118.700 0.197 0.000 2.244 139 N HA -0.118 4.622 4.740 0.001 0.000 0.183 139 N C 1.624 177.175 175.510 0.069 0.000 1.016 139 N CA 1.182 54.326 53.050 0.156 0.000 0.866 139 N CB -0.495 38.079 38.487 0.146 0.000 0.980 139 N HN 0.487 nan 8.380 nan 0.000 0.430 140 N N -0.113 118.582 118.700 -0.009 0.000 2.270 140 N HA -0.107 4.633 4.740 0.001 0.000 0.181 140 N C 1.540 176.970 175.510 -0.133 0.000 1.016 140 N CA 0.295 53.294 53.050 -0.084 0.000 0.870 140 N CB -0.341 38.078 38.487 -0.113 0.000 0.979 140 N HN 0.396 nan 8.380 nan 0.000 0.431 141 W N 1.894 122.953 121.300 -0.401 0.000 2.333 141 W HA -0.180 4.481 4.660 0.001 0.000 0.316 141 W C 1.986 178.418 176.519 -0.145 0.000 1.215 141 W CA 1.257 58.389 57.345 -0.354 0.000 1.278 141 W CB -0.391 28.792 29.460 -0.462 0.000 1.154 141 W HN -0.241 nan 8.180 nan 0.000 0.486 142 V N 1.370 121.467 119.914 0.306 0.000 2.252 142 V HA -0.399 3.722 4.120 0.001 0.000 0.249 142 V C 2.460 178.532 176.094 -0.038 0.000 1.056 142 V CA 2.505 64.909 62.300 0.173 0.000 1.022 142 V CB -1.195 30.762 31.823 0.224 0.000 0.641 142 V HN 0.239 nan 8.190 nan 0.000 0.445 143 K N -0.163 120.214 120.400 -0.039 0.000 2.063 143 K HA -0.250 4.071 4.320 0.001 0.000 0.208 143 K C 2.470 178.979 176.600 -0.152 0.000 1.048 143 K CA 1.732 57.976 56.287 -0.071 0.000 0.928 143 K CB -0.210 32.257 32.500 -0.055 0.000 0.713 143 K HN 0.293 nan 8.250 nan 0.000 0.442 144 R N 0.733 121.092 120.500 -0.234 0.000 2.070 144 R HA -0.114 4.227 4.340 0.001 0.000 0.233 144 R C 1.711 177.784 176.300 -0.379 0.000 1.137 144 R CA 1.552 57.462 56.100 -0.317 0.000 0.945 144 R CB -0.026 30.054 30.300 -0.366 0.000 0.845 144 R HN 0.065 nan 8.270 nan 0.000 0.430 145 K N 0.075 120.194 120.400 -0.467 0.000 2.365 145 K HA -0.031 4.289 4.320 0.001 0.000 0.199 145 K C 1.649 178.191 176.600 -0.097 0.000 1.045 145 K CA 1.411 57.454 56.287 -0.407 0.000 0.962 145 K CB -0.010 32.031 32.500 -0.766 0.000 0.759 145 K HN 0.417 nan 8.250 nan 0.000 0.469 146 T N -2.557 111.965 114.554 -0.054 0.000 3.163 146 T HA 0.066 4.417 4.350 0.001 0.000 0.252 146 T C 0.175 174.918 174.700 0.072 0.000 1.056 146 T CA -0.422 61.745 62.100 0.112 0.000 0.947 146 T CB -0.605 68.335 68.868 0.119 0.000 1.016 146 T HN 0.309 nan 8.240 nan 0.000 0.554 147 H N 2.125 120.993 119.070 -0.336 0.000 2.770 147 H HA -0.149 4.408 4.556 0.001 0.000 0.309 147 H C -0.296 174.899 175.328 -0.222 0.000 1.206 147 H CA 0.448 56.245 56.048 -0.418 0.000 1.147 147 H CB -1.763 27.455 29.762 -0.907 0.000 1.422 147 H HN 0.510 nan 8.280 nan 0.000 0.420 148 D N -1.568 118.793 120.400 -0.065 0.000 3.028 148 D HA -0.172 4.469 4.640 0.001 0.000 0.207 148 D C 1.407 177.711 176.300 0.006 0.000 1.100 148 D CA 1.249 55.225 54.000 -0.039 0.000 0.995 148 D CB -0.701 40.067 40.800 -0.054 0.000 1.108 148 D HN 0.501 nan 8.370 nan 0.000 0.421 149 K N -0.121 120.308 120.400 0.048 0.000 2.228 149 K HA 0.136 4.456 4.320 0.001 0.000 0.202 149 K C 1.147 177.782 176.600 0.057 0.000 1.051 149 K CA 0.620 56.951 56.287 0.073 0.000 0.960 149 K CB 0.711 33.298 32.500 0.145 0.000 0.743 149 K HN 0.367 nan 8.250 nan 0.000 0.458 150 I N 1.579 122.182 120.570 0.055 0.000 2.448 150 I HA 0.049 4.220 4.170 0.001 0.000 0.281 150 I C 1.144 177.276 176.117 0.025 0.000 1.027 150 I CA -0.310 61.015 61.300 0.043 0.000 1.111 150 I CB 1.827 39.861 38.000 0.057 0.000 1.236 150 I HN 0.087 nan 8.210 nan 0.000 0.452 151 E N 5.668 125.879 120.200 0.018 0.000 2.230 151 E HA 0.092 4.443 4.350 0.001 0.000 0.192 151 E C -0.114 176.502 176.600 0.026 0.000 0.987 151 E CA 0.592 57.000 56.400 0.012 0.000 0.841 151 E CB 0.495 30.200 29.700 0.008 0.000 0.783 151 E HN 0.466 nan 8.360 nan 0.000 0.481 152 K N 0.022 120.440 120.400 0.030 0.000 2.525 152 K HA 0.225 4.546 4.320 0.001 0.000 0.254 152 K C -0.595 176.005 176.600 0.001 0.000 0.934 152 K CA -0.498 55.816 56.287 0.044 0.000 0.802 152 K CB 2.158 34.691 32.500 0.056 0.000 1.295 152 K HN -0.044 nan 8.250 nan 0.000 0.433 153 L N 2.088 123.291 121.223 -0.033 0.000 2.253 153 L HA 0.390 4.731 4.340 0.001 0.000 0.205 153 L C -0.517 176.118 176.870 -0.393 0.000 1.078 153 L CA 1.365 56.048 54.840 -0.261 0.000 0.805 153 L CB 0.367 42.182 42.059 -0.407 0.000 0.963 153 L HN 0.478 nan 8.230 nan 0.000 0.459 154 F N 0.139 120.138 119.950 0.082 0.000 2.402 154 F HA 0.373 4.900 4.527 0.001 0.000 0.355 154 F C 1.130 176.967 175.800 0.062 0.000 1.123 154 F CA -0.455 57.589 58.000 0.073 0.000 1.021 154 F CB 0.730 39.781 39.000 0.086 0.000 1.160 154 F HN -0.089 nan 8.300 nan 0.000 0.451 155 N N 1.122 119.937 118.700 0.192 0.000 2.373 155 N HA 0.041 4.782 4.740 0.001 0.000 0.181 155 N C -0.528 175.053 175.510 0.119 0.000 1.082 155 N CA 0.276 53.399 53.050 0.122 0.000 0.885 155 N CB 0.333 38.864 38.487 0.073 0.000 0.977 155 N HN 0.546 nan 8.380 nan 0.000 0.462 156 E N -0.214 120.075 120.200 0.149 0.000 2.299 156 E HA 0.399 4.750 4.350 0.001 0.000 0.265 156 E C -2.533 174.137 176.600 0.117 0.000 0.911 156 E CA -2.098 54.368 56.400 0.111 0.000 0.789 156 E CB 0.972 30.726 29.700 0.090 0.000 1.246 156 E HN -0.136 nan 8.360 nan 0.000 0.427 157 P HA 0.009 nan 4.420 nan 0.000 0.268 157 P C -0.502 176.800 177.300 0.002 0.000 1.208 157 P CA 0.060 63.190 63.100 0.051 0.000 0.777 157 P CB 0.437 32.165 31.700 0.047 0.000 0.875 158 L N 1.240 122.424 121.223 -0.064 0.000 2.476 158 L HA 0.139 4.480 4.340 0.001 0.000 0.255 158 L C 1.156 177.971 176.870 -0.091 0.000 1.218 158 L CA -0.453 54.292 54.840 -0.159 0.000 0.819 158 L CB 0.001 41.870 42.059 -0.316 0.000 1.119 158 L HN 0.419 nan 8.230 nan 0.000 0.485 159 D N 1.276 121.609 120.400 -0.112 0.000 2.648 159 D HA -0.076 4.565 4.640 0.001 0.000 0.229 159 D C -1.794 174.454 176.300 -0.086 0.000 1.119 159 D CA -0.679 53.270 54.000 -0.085 0.000 0.850 159 D CB 1.294 42.033 40.800 -0.103 0.000 1.169 159 D HN 0.214 nan 8.370 nan 0.000 0.489 160 P HA 0.020 nan 4.420 nan 0.000 0.231 160 P C 0.328 177.617 177.300 -0.019 0.000 1.168 160 P CA 0.410 63.505 63.100 -0.009 0.000 0.779 160 P CB 0.373 32.077 31.700 0.006 0.000 0.844 161 D N -1.342 119.029 120.400 -0.048 0.000 2.349 161 D HA 0.001 4.642 4.640 0.001 0.000 0.224 161 D C 0.211 176.445 176.300 -0.110 0.000 1.029 161 D CA 0.569 54.538 54.000 -0.051 0.000 0.879 161 D CB -0.723 40.055 40.800 -0.037 0.000 0.906 161 D HN 0.094 nan 8.370 nan 0.000 0.528 162 T N 0.921 115.348 114.554 -0.212 0.000 2.891 162 T HA 0.006 4.356 4.350 0.001 0.000 0.296 162 T C 1.640 176.088 174.700 -0.420 0.000 1.025 162 T CA 0.384 62.216 62.100 -0.446 0.000 1.149 162 T CB 0.919 69.282 68.868 -0.842 0.000 1.007 162 T HN 0.062 nan 8.240 nan 0.000 0.528 163 L N 2.316 123.352 121.223 -0.312 0.000 2.609 163 L HA 0.437 4.778 4.340 0.001 0.000 0.230 163 L C -0.005 176.857 176.870 -0.014 0.000 1.064 163 L CA 0.050 54.836 54.840 -0.091 0.000 0.873 163 L CB 0.325 42.356 42.059 -0.047 0.000 1.139 163 L HN 0.394 nan 8.230 nan 0.000 0.490 164 L N -0.090 121.030 121.223 -0.171 0.000 2.526 164 L HA 0.526 4.867 4.340 0.001 0.000 0.263 164 L C -1.443 175.376 176.870 -0.084 0.000 0.943 164 L CA -0.370 54.467 54.840 -0.005 0.000 0.859 164 L CB 2.101 44.175 42.059 0.025 0.000 1.313 164 L HN -0.344 nan 8.230 nan 0.000 0.406 165 V N 5.840 125.790 119.914 0.060 0.000 2.407 165 V HA 0.477 4.598 4.120 0.001 0.000 0.291 165 V C -0.125 176.002 176.094 0.055 0.000 1.018 165 V CA -0.530 61.801 62.300 0.051 0.000 0.842 165 V CB 1.500 33.385 31.823 0.104 0.000 0.996 165 V HN 0.628 nan 8.190 nan 0.000 0.426 166 L N 6.256 127.499 121.223 0.033 0.000 2.276 166 L HA 0.583 4.924 4.340 0.001 0.000 0.286 166 L C -0.611 176.250 176.870 -0.015 0.000 1.061 166 L CA -0.189 54.642 54.840 -0.016 0.000 0.807 166 L CB 1.015 43.055 42.059 -0.031 0.000 1.177 166 L HN 0.432 nan 8.230 nan 0.000 0.429 167 L N 4.335 125.497 121.223 -0.101 0.000 2.386 167 L HA 0.527 4.867 4.340 0.001 0.000 0.271 167 L C -0.352 176.534 176.870 0.027 0.000 0.993 167 L CA -0.369 54.412 54.840 -0.098 0.000 0.819 167 L CB 2.082 43.857 42.059 -0.474 0.000 1.294 167 L HN 0.603 nan 8.230 nan 0.000 0.414 168 N N 2.033 120.863 118.700 0.217 0.000 2.238 168 N HA 0.817 5.558 4.740 0.001 0.000 0.302 168 N C -1.761 174.025 175.510 0.461 0.000 1.072 168 N CA -0.240 53.024 53.050 0.356 0.000 0.792 168 N CB 2.731 41.360 38.487 0.237 0.000 1.425 168 N HN 0.717 nan 8.380 nan 0.000 0.478 169 A N 2.972 126.076 122.820 0.473 0.000 2.498 169 A HA 0.749 5.070 4.320 0.001 0.000 0.298 169 A C -1.308 176.438 177.584 0.271 0.000 1.075 169 A CA -0.732 51.494 52.037 0.314 0.000 0.714 169 A CB 1.328 20.419 19.000 0.152 0.000 1.299 169 A HN 0.695 nan 8.150 nan 0.000 0.407 170 I N 0.513 121.249 120.570 0.276 0.000 2.722 170 I HA 0.678 4.849 4.170 0.001 0.000 0.295 170 I C -2.179 174.160 176.117 0.370 0.000 1.161 170 I CA -0.782 60.693 61.300 0.292 0.000 1.032 170 I CB 2.046 40.203 38.000 0.261 0.000 1.244 170 I HN 0.800 nan 8.210 nan 0.000 0.421 171 Y N 7.614 128.004 120.300 0.150 0.000 2.421 171 Y HA 0.617 5.168 4.550 0.001 0.000 0.339 171 Y C -2.148 173.759 175.900 0.012 0.000 0.996 171 Y CA -0.928 57.200 58.100 0.046 0.000 1.046 171 Y CB 1.690 40.044 38.460 -0.176 0.000 1.226 171 Y HN 0.506 nan 8.280 nan 0.000 0.445 172 F N 6.710 126.125 119.950 -0.891 0.000 2.547 172 F HA 0.645 5.173 4.527 0.001 0.000 0.316 172 F C -1.641 173.482 175.800 -1.127 0.000 1.121 172 F CA -0.751 56.754 58.000 -0.824 0.000 0.911 172 F CB 1.482 40.207 39.000 -0.458 0.000 1.179 172 F HN 0.513 nan 8.300 nan 0.000 0.443 173 K N 4.382 123.731 120.400 -1.751 0.000 2.507 173 K HA 0.722 5.043 4.320 0.001 0.000 0.251 173 K C -1.270 174.348 176.600 -1.636 0.000 0.943 173 K CA -0.709 54.695 56.287 -1.471 0.000 0.794 173 K CB 1.768 33.810 32.500 -0.763 0.000 1.188 173 K HN 0.929 nan 8.250 nan 0.000 0.428 174 G N 2.737 110.578 108.800 -1.598 0.000 2.571 174 G HA2 0.392 4.352 3.960 0.001 0.000 0.304 174 G HA3 0.392 4.352 3.960 0.001 0.000 0.304 174 G C -1.378 173.203 174.900 -0.531 0.000 1.314 174 G CA -0.544 43.911 45.100 -1.074 0.000 0.975 174 G HN 0.589 nan 8.290 nan 0.000 0.485 175 E N 0.297 120.392 120.200 -0.175 0.000 2.191 175 E HA 0.241 4.592 4.350 0.001 0.000 0.278 175 E C -0.685 176.021 176.600 0.176 0.000 0.972 175 E CA -0.576 55.789 56.400 -0.060 0.000 0.804 175 E CB 1.827 31.513 29.700 -0.024 0.000 1.110 175 E HN 0.549 nan 8.360 nan 0.000 0.394 176 W N 2.258 123.701 121.300 0.238 0.000 2.231 176 W HA -0.059 4.602 4.660 0.001 0.000 0.341 176 W C 1.619 178.166 176.519 0.045 0.000 1.298 176 W CA -0.144 57.257 57.345 0.093 0.000 1.266 176 W CB 0.131 29.614 29.460 0.038 0.000 1.172 176 W HN 0.653 nan 8.180 nan 0.000 0.568 177 N N 0.903 119.773 118.700 0.284 0.000 2.104 177 N HA -0.127 4.614 4.740 0.001 0.000 0.190 177 N C 0.106 175.673 175.510 0.095 0.000 1.024 177 N CA 1.345 54.485 53.050 0.151 0.000 0.853 177 N CB 0.069 38.617 38.487 0.102 0.000 1.008 177 N HN 0.248 nan 8.380 nan 0.000 0.424 178 T N 0.458 115.042 114.554 0.049 0.000 2.833 178 T HA 0.666 5.017 4.350 0.001 0.000 0.297 178 T C -0.587 174.056 174.700 -0.096 0.000 1.015 178 T CA -0.682 61.389 62.100 -0.049 0.000 0.963 178 T CB 1.443 70.225 68.868 -0.143 0.000 0.955 178 T HN 0.329 nan 8.240 nan 0.000 0.449 179 A N 3.231 126.061 122.820 0.018 0.000 2.386 179 A HA 0.675 4.996 4.320 0.001 0.000 0.248 179 A C -0.159 177.387 177.584 -0.063 0.000 1.082 179 A CA -0.345 51.754 52.037 0.104 0.000 0.789 179 A CB -0.084 19.020 19.000 0.173 0.000 1.025 179 A HN 0.733 nan 8.150 nan 0.000 0.490 180 F N 0.571 120.522 119.950 0.003 0.000 2.450 180 F HA 0.297 4.825 4.527 0.002 0.000 0.339 180 F C 0.722 176.533 175.800 0.018 0.000 1.146 180 F CA 0.120 58.107 58.000 -0.022 0.000 1.267 180 F CB 0.968 39.950 39.000 -0.031 0.000 1.178 180 F HN 0.226 nan 8.300 nan 0.000 0.585 181 V N 4.800 124.839 119.914 0.209 0.000 2.387 181 V HA 0.023 4.144 4.120 0.001 0.000 0.260 181 V C 1.161 177.287 176.094 0.054 0.000 1.054 181 V CA -0.524 61.820 62.300 0.074 0.000 0.967 181 V CB 0.477 32.304 31.823 0.007 0.000 1.036 181 V HN 0.739 nan 8.190 nan 0.000 0.481 182 K N 3.045 123.466 120.400 0.035 0.000 2.077 182 K HA -0.231 4.090 4.320 0.001 0.000 0.213 182 K C 1.673 178.268 176.600 -0.008 0.000 1.051 182 K CA 1.845 58.147 56.287 0.025 0.000 0.929 182 K CB 0.094 32.602 32.500 0.013 0.000 0.715 182 K HN 0.675 nan 8.250 nan 0.000 0.451 183 E N -0.237 119.911 120.200 -0.087 0.000 2.401 183 E HA -0.152 4.198 4.350 0.001 0.000 0.199 183 E C 1.424 177.996 176.600 -0.046 0.000 1.023 183 E CA 0.804 57.142 56.400 -0.102 0.000 0.859 183 E CB -0.091 29.507 29.700 -0.169 0.000 0.780 183 E HN 0.564 nan 8.360 nan 0.000 0.523 184 H N -0.811 118.281 119.070 0.037 0.000 2.592 184 H HA 0.092 4.649 4.556 0.001 0.000 0.265 184 H C 0.283 175.632 175.328 0.034 0.000 0.955 184 H CA -0.225 55.845 56.048 0.038 0.000 1.175 184 H CB 0.655 30.447 29.762 0.049 0.000 1.433 184 H HN -0.119 nan 8.280 nan 0.000 0.537 185 T N 2.413 117.046 114.554 0.132 0.000 2.853 185 T HA 0.085 4.436 4.350 0.001 0.000 0.298 185 T C 0.190 174.923 174.700 0.054 0.000 0.978 185 T CA 0.114 62.256 62.100 0.070 0.000 1.152 185 T CB 0.297 69.185 68.868 0.033 0.000 0.914 185 T HN 0.520 nan 8.240 nan 0.000 0.539 186 E N 1.354 121.579 120.200 0.042 0.000 2.423 186 E HA 0.378 4.729 4.350 0.001 0.000 0.280 186 E C -1.316 175.296 176.600 0.021 0.000 1.030 186 E CA -1.377 55.042 56.400 0.032 0.000 0.812 186 E CB 1.005 30.729 29.700 0.040 0.000 1.313 186 E HN 0.035 nan 8.360 nan 0.000 0.456 187 K N 1.941 122.350 120.400 0.015 0.000 2.447 187 K HA 0.211 4.531 4.320 0.001 0.000 0.281 187 K C -0.282 176.326 176.600 0.014 0.000 1.031 187 K CA 0.324 56.617 56.287 0.010 0.000 1.019 187 K CB 0.308 32.811 32.500 0.004 0.000 0.918 187 K HN 0.466 nan 8.250 nan 0.000 0.476 188 R N 1.825 122.336 120.500 0.019 0.000 2.808 188 R HA 0.230 4.571 4.340 0.001 0.000 0.272 188 R C -0.281 176.032 176.300 0.022 0.000 0.995 188 R CA -0.933 55.183 56.100 0.027 0.000 0.917 188 R CB 1.740 32.066 30.300 0.043 0.000 1.217 188 R HN 0.501 nan 8.270 nan 0.000 0.471 189 Q N 1.240 121.040 119.800 -0.001 0.000 2.332 189 Q HA 0.168 4.508 4.340 0.001 0.000 0.263 189 Q C -1.143 174.842 176.000 -0.026 0.000 0.979 189 Q CA 0.482 56.217 55.803 -0.114 0.000 0.885 189 Q CB 0.767 29.366 28.738 -0.232 0.000 1.218 189 Q HN 0.335 nan 8.270 nan 0.000 0.405 190 F N 2.244 122.044 119.950 -0.249 0.000 2.540 190 F HA 0.416 4.944 4.527 0.001 0.000 0.317 190 F C -1.454 174.195 175.800 -0.252 0.000 1.104 190 F CA -1.049 56.889 58.000 -0.103 0.000 0.913 190 F CB 0.993 39.980 39.000 -0.020 0.000 1.170 190 F HN 0.389 nan 8.300 nan 0.000 0.450 191 F N 4.785 124.442 119.950 -0.489 0.000 2.335 191 F HA 0.326 4.854 4.527 0.001 0.000 0.365 191 F C 0.281 175.945 175.800 -0.227 0.000 1.122 191 F CA -0.743 57.108 58.000 -0.248 0.000 1.151 191 F CB 0.174 39.058 39.000 -0.194 0.000 1.282 191 F HN 0.360 nan 8.300 nan 0.000 0.513 192 N N 1.963 120.751 118.700 0.147 0.000 2.483 192 N HA 0.185 4.926 4.740 0.001 0.000 0.264 192 N C 1.138 176.739 175.510 0.152 0.000 1.197 192 N CA 0.890 54.076 53.050 0.227 0.000 0.927 192 N CB 1.018 39.621 38.487 0.194 0.000 1.065 192 N HN 0.866 nan 8.380 nan 0.000 0.461 193 G N 1.253 110.143 108.800 0.149 0.000 2.212 193 G HA2 -0.257 3.704 3.960 0.001 0.000 0.267 193 G HA3 -0.257 3.704 3.960 0.001 0.000 0.267 193 G C 0.977 175.928 174.900 0.085 0.000 1.002 193 G CA 1.041 46.204 45.100 0.105 0.000 0.729 193 G HN 1.320 nan 8.290 nan 0.000 0.517 194 G N -2.902 105.949 108.800 0.084 0.000 2.205 194 G HA2 -0.095 3.866 3.960 0.001 0.000 0.261 194 G HA3 -0.095 3.866 3.960 0.001 0.000 0.261 194 G C 1.474 176.402 174.900 0.047 0.000 0.980 194 G CA 1.949 47.076 45.100 0.045 0.000 0.632 194 G HN 2.225 nan 8.290 nan 0.000 0.533 195 V N -4.033 115.957 119.914 0.126 0.000 3.480 195 V HA 0.474 4.595 4.120 0.001 0.000 0.263 195 V C 0.724 176.969 176.094 0.251 0.000 1.442 195 V CA 1.137 63.519 62.300 0.136 0.000 1.053 195 V CB 0.672 32.534 31.823 0.065 0.000 0.846 195 V HN 0.363 nan 8.190 nan 0.000 0.440 196 T N 5.252 119.933 114.554 0.211 0.000 2.801 196 T HA 0.494 4.845 4.350 0.001 0.000 0.306 196 T C -2.821 171.885 174.700 0.010 0.000 1.020 196 T CA -1.071 61.106 62.100 0.128 0.000 0.948 196 T CB 1.440 70.356 68.868 0.080 0.000 0.962 196 T HN 0.354 nan 8.240 nan 0.000 0.465 197 P HA 0.280 nan 4.420 nan 0.000 0.276 197 P C -0.430 176.724 177.300 -0.244 0.000 1.243 197 P CA -0.327 62.458 63.100 -0.525 0.000 0.768 197 P CB 0.867 32.276 31.700 -0.485 0.000 0.856 198 V N 0.442 120.230 119.914 -0.210 0.000 3.001 198 V HA 0.569 4.690 4.120 0.001 0.000 0.314 198 V C -0.296 175.754 176.094 -0.074 0.000 1.099 198 V CA -1.006 61.246 62.300 -0.080 0.000 0.989 198 V CB 2.575 34.398 31.823 0.000 0.000 1.040 198 V HN 0.259 nan 8.190 nan 0.000 0.434 199 E N 2.371 122.546 120.200 -0.043 0.000 2.115 199 E HA 0.545 4.896 4.350 0.001 0.000 0.282 199 E C -0.551 176.044 176.600 -0.008 0.000 0.987 199 E CA -0.169 56.215 56.400 -0.027 0.000 0.797 199 E CB 1.803 31.489 29.700 -0.023 0.000 1.086 199 E HN 0.992 nan 8.360 nan 0.000 0.397 200 V N -0.277 119.639 119.914 0.005 0.000 2.876 200 V HA 0.417 4.538 4.120 0.001 0.000 0.312 200 V C -0.225 175.870 176.094 0.001 0.000 1.085 200 V CA -1.264 61.033 62.300 -0.004 0.000 0.945 200 V CB 2.166 33.973 31.823 -0.027 0.000 1.017 200 V HN 0.267 nan 8.190 nan 0.000 0.428 201 D N 2.775 123.171 120.400 -0.007 0.000 2.472 201 D HA 0.322 4.963 4.640 0.001 0.000 0.248 201 D C 0.165 176.458 176.300 -0.012 0.000 1.174 201 D CA 0.895 54.891 54.000 -0.007 0.000 0.883 201 D CB 0.917 41.709 40.800 -0.014 0.000 1.149 201 D HN 0.844 nan 8.370 nan 0.000 0.488 202 T N 3.315 117.866 114.554 -0.006 0.000 2.841 202 T HA 0.409 4.759 4.350 0.001 0.000 0.285 202 T C 0.502 175.186 174.700 -0.027 0.000 0.991 202 T CA -0.711 61.381 62.100 -0.014 0.000 0.966 202 T CB 1.047 69.928 68.868 0.021 0.000 0.962 202 T HN 0.117 nan 8.240 nan 0.000 0.438 203 M N 2.350 121.885 119.600 -0.108 0.000 2.368 203 M HA 0.582 5.063 4.480 0.001 0.000 0.311 203 M C 0.216 176.558 176.300 0.069 0.000 1.168 203 M CA -0.757 54.477 55.300 -0.110 0.000 1.044 203 M CB 1.234 33.522 32.600 -0.520 0.000 1.506 203 M HN 0.347 nan 8.290 nan 0.000 0.475 204 R N 1.659 122.332 120.500 0.289 0.000 2.574 204 R HA 0.731 5.071 4.340 0.001 0.000 0.288 204 R C -2.387 174.128 176.300 0.358 0.000 1.004 204 R CA -0.723 55.554 56.100 0.295 0.000 0.895 204 R CB 1.805 32.180 30.300 0.125 0.000 1.191 204 R HN 0.668 nan 8.270 nan 0.000 0.444 205 L N 2.449 123.769 121.223 0.161 0.000 2.464 205 L HA 0.489 4.829 4.340 0.001 0.000 0.266 205 L C -1.522 175.294 176.870 -0.091 0.000 0.965 205 L CA -0.243 54.540 54.840 -0.096 0.000 0.833 205 L CB 2.140 43.839 42.059 -0.601 0.000 1.296 205 L HN 0.783 nan 8.230 nan 0.000 0.405 206 E N 4.048 124.204 120.200 -0.074 0.000 2.155 206 E HA 0.829 5.179 4.350 0.001 0.000 0.264 206 E C -1.466 175.076 176.600 -0.097 0.000 0.886 206 E CA -0.373 55.979 56.400 -0.080 0.000 0.752 206 E CB 1.416 31.084 29.700 -0.053 0.000 1.133 206 E HN 0.956 nan 8.360 nan 0.000 0.414 207 A N 4.155 126.904 122.820 -0.119 0.000 2.564 207 A HA 0.496 4.817 4.320 0.001 0.000 0.291 207 A C -1.222 176.296 177.584 -0.111 0.000 1.102 207 A CA -0.898 51.070 52.037 -0.115 0.000 0.660 207 A CB 1.141 20.050 19.000 -0.152 0.000 1.283 207 A HN 0.643 nan 8.150 nan 0.000 0.430 208 R N 0.175 120.621 120.500 -0.090 0.000 2.288 208 R HA 0.515 4.856 4.340 0.001 0.000 0.330 208 R C -1.182 175.068 176.300 -0.083 0.000 1.069 208 R CA 0.464 56.518 56.100 -0.077 0.000 0.941 208 R CB -0.054 30.214 30.300 -0.053 0.000 0.998 208 R HN 0.508 nan 8.270 nan 0.000 0.452 209 I N 2.387 122.907 120.570 -0.084 0.000 2.686 209 I HA 0.193 4.364 4.170 0.001 0.000 0.295 209 I C -0.095 176.001 176.117 -0.036 0.000 1.114 209 I CA -1.009 60.239 61.300 -0.086 0.000 1.038 209 I CB 2.341 40.256 38.000 -0.142 0.000 1.238 209 I HN 0.219 nan 8.210 nan 0.000 0.420 210 K N 4.989 125.373 120.400 -0.026 0.000 2.436 210 K HA 0.140 4.461 4.320 0.001 0.000 0.282 210 K C -1.282 175.332 176.600 0.023 0.000 1.044 210 K CA 0.320 56.608 56.287 0.003 0.000 1.028 210 K CB 0.497 32.993 32.500 -0.005 0.000 0.919 210 K HN 0.469 nan 8.250 nan 0.000 0.474 211 Y N 1.809 122.046 120.300 -0.106 0.000 2.544 211 Y HA 0.484 5.035 4.550 0.001 0.000 0.342 211 Y C -1.140 174.687 175.900 -0.122 0.000 1.062 211 Y CA -1.044 56.975 58.100 -0.135 0.000 1.023 211 Y CB 1.947 40.319 38.460 -0.147 0.000 1.308 211 Y HN 0.635 nan 8.280 nan 0.000 0.457 212 R N 4.447 124.296 120.500 -1.086 0.000 2.644 212 R HA 0.418 4.759 4.340 0.001 0.000 0.257 212 R C -2.468 173.129 176.300 -1.171 0.000 1.082 212 R CA -0.671 54.786 56.100 -1.072 0.000 0.927 212 R CB 1.180 30.919 30.300 -0.935 0.000 1.258 212 R HN 0.630 nan 8.270 nan 0.000 0.459 213 F N 4.139 123.517 119.950 -0.954 0.000 2.404 213 F HA 0.589 5.117 4.527 0.001 0.000 0.339 213 F C -1.504 173.883 175.800 -0.687 0.000 1.105 213 F CA -0.676 56.983 58.000 -0.568 0.000 1.087 213 F CB 0.771 39.654 39.000 -0.195 0.000 1.143 213 F HN 0.378 nan 8.300 nan 0.000 0.491 214 F N 5.139 124.469 119.950 -1.033 0.000 2.403 214 F HA 0.232 4.759 4.527 0.001 0.000 0.355 214 F C 0.735 175.912 175.800 -1.038 0.000 1.119 214 F CA -0.874 56.644 58.000 -0.803 0.000 1.007 214 F CB 1.131 39.738 39.000 -0.656 0.000 1.194 214 F HN 0.514 nan 8.300 nan 0.000 0.443 215 D N -0.236 119.846 120.400 -0.530 0.000 2.317 215 D HA -0.165 4.475 4.640 0.001 0.000 0.211 215 D C 1.361 177.611 176.300 -0.083 0.000 0.966 215 D CA 0.924 54.742 54.000 -0.303 0.000 0.876 215 D CB -0.353 40.472 40.800 0.041 0.000 0.927 215 D HN 0.493 nan 8.370 nan 0.000 0.519 216 D N 1.460 121.851 120.400 -0.014 0.000 2.097 216 D HA -0.194 4.446 4.640 0.001 0.000 0.195 216 D C 1.755 178.085 176.300 0.049 0.000 0.989 216 D CA 0.911 54.938 54.000 0.045 0.000 0.827 216 D CB -0.671 40.178 40.800 0.081 0.000 0.966 216 D HN 0.341 nan 8.370 nan 0.000 0.456 217 L N -1.104 120.153 121.223 0.058 0.000 2.667 217 L HA 0.165 4.506 4.340 0.001 0.000 0.232 217 L C 0.022 176.921 176.870 0.048 0.000 1.138 217 L CA -0.149 54.737 54.840 0.078 0.000 0.921 217 L CB -0.183 41.971 42.059 0.159 0.000 1.180 217 L HN -0.070 nan 8.230 nan 0.000 0.487 218 Q N 0.695 120.473 119.800 -0.036 0.000 2.459 218 Q HA -0.174 4.166 4.340 0.001 0.000 0.322 218 Q C -0.633 175.457 176.000 0.149 0.000 1.427 218 Q CA 0.573 56.407 55.803 0.053 0.000 0.861 218 Q CB -1.584 27.262 28.738 0.179 0.000 1.137 218 Q HN 0.248 nan 8.270 nan 0.000 0.394 219 V N 0.125 120.012 119.914 -0.045 0.000 2.686 219 V HA 0.381 4.502 4.120 0.001 0.000 0.306 219 V C -0.448 175.744 176.094 0.165 0.000 1.065 219 V CA -0.657 61.720 62.300 0.128 0.000 0.894 219 V CB 2.121 33.993 31.823 0.081 0.000 1.004 219 V HN 0.355 nan 8.190 nan 0.000 0.424 220 E N 4.178 124.605 120.200 0.379 0.000 2.249 220 E HA 0.637 4.987 4.350 0.001 0.000 0.280 220 E C -1.270 175.543 176.600 0.354 0.000 1.016 220 E CA -0.499 56.125 56.400 0.374 0.000 0.830 220 E CB 2.229 32.306 29.700 0.629 0.000 1.081 220 E HN 0.527 nan 8.360 nan 0.000 0.395 221 V N 3.337 123.297 119.914 0.077 0.000 2.588 221 V HA 0.416 4.537 4.120 0.001 0.000 0.304 221 V C -0.267 175.744 176.094 -0.138 0.000 1.042 221 V CA -0.838 61.516 62.300 0.090 0.000 0.877 221 V CB 1.674 33.569 31.823 0.120 0.000 0.996 221 V HN 0.528 nan 8.190 nan 0.000 0.425 222 V N 1.153 120.968 119.914 -0.165 0.000 3.001 222 V HA 0.748 4.868 4.120 0.001 0.000 0.314 222 V C -0.757 175.317 176.094 -0.033 0.000 1.099 222 V CA -0.678 61.486 62.300 -0.226 0.000 0.989 222 V CB 2.336 33.819 31.823 -0.566 0.000 1.040 222 V HN 0.865 nan 8.190 nan 0.000 0.434 223 E N 2.441 122.627 120.200 -0.022 0.000 2.176 223 E HA 0.574 4.925 4.350 0.001 0.000 0.267 223 E C -1.416 175.183 176.600 -0.002 0.000 0.893 223 E CA -0.653 55.775 56.400 0.047 0.000 0.761 223 E CB 2.248 31.982 29.700 0.055 0.000 1.133 223 E HN 0.679 nan 8.360 nan 0.000 0.409 224 L N 5.871 127.111 121.223 0.027 0.000 2.283 224 L HA 0.371 4.712 4.340 0.001 0.000 0.281 224 L C -2.213 174.676 176.870 0.031 0.000 1.033 224 L CA -2.065 52.738 54.840 -0.063 0.000 0.848 224 L CB 0.741 42.635 42.059 -0.275 0.000 1.226 224 L HN 0.214 nan 8.230 nan 0.000 0.429 225 P HA 0.128 nan 4.420 nan 0.000 0.275 225 P C -1.006 176.321 177.300 0.045 0.000 1.228 225 P CA -0.106 63.037 63.100 0.071 0.000 0.786 225 P CB 0.641 32.398 31.700 0.095 0.000 0.927 226 Y N 0.077 120.586 120.300 0.348 0.000 2.340 226 Y HA 0.275 4.825 4.550 0.001 0.000 0.327 226 Y C 1.827 177.842 175.900 0.193 0.000 1.321 226 Y CA -0.538 57.718 58.100 0.259 0.000 1.433 226 Y CB 0.465 39.060 38.460 0.224 0.000 1.373 226 Y HN 0.111 nan 8.280 nan 0.000 0.538 227 R N 0.579 121.257 120.500 0.296 0.000 2.538 227 R HA 0.162 4.503 4.340 0.001 0.000 0.282 227 R C 0.924 177.333 176.300 0.181 0.000 1.009 227 R CA 1.089 57.299 56.100 0.183 0.000 1.063 227 R CB -0.304 30.068 30.300 0.121 0.000 0.945 227 R HN 1.072 nan 8.270 nan 0.000 0.414 228 G N 1.855 110.739 108.800 0.140 0.000 2.241 228 G HA2 -0.338 3.622 3.960 0.001 0.000 0.244 228 G HA3 -0.338 3.622 3.960 0.001 0.000 0.244 228 G C 0.608 175.587 174.900 0.131 0.000 0.998 228 G CA 0.054 45.229 45.100 0.125 0.000 0.621 228 G HN 0.673 nan 8.290 nan 0.000 0.519 229 L N -0.353 120.971 121.223 0.169 0.000 5.081 229 L HA -0.249 4.092 4.340 0.001 0.000 0.423 229 L C 1.675 178.621 176.870 0.128 0.000 1.019 229 L CA 1.730 56.657 54.840 0.144 0.000 1.223 229 L CB -1.925 40.187 42.059 0.088 0.000 1.940 229 L HN 0.621 nan 8.230 nan 0.000 0.675 230 D N -0.551 119.931 120.400 0.138 0.000 2.323 230 D HA -0.023 4.617 4.640 0.001 0.000 0.209 230 D C 0.482 176.691 176.300 -0.152 0.000 0.973 230 D CA 0.866 54.867 54.000 0.002 0.000 0.874 230 D CB 0.041 40.840 40.800 -0.003 0.000 0.930 230 D HN 0.469 nan 8.370 nan 0.000 0.521 231 Y N -0.489 119.975 120.300 0.274 0.000 2.485 231 Y HA 0.531 5.082 4.550 0.001 0.000 0.345 231 Y C 0.309 176.506 175.900 0.496 0.000 0.998 231 Y CA -0.777 57.548 58.100 0.375 0.000 1.059 231 Y CB 2.640 41.359 38.460 0.432 0.000 1.234 231 Y HN -0.285 nan 8.280 nan 0.000 0.461 232 T N 3.071 117.987 114.554 0.603 0.000 2.868 232 T HA 0.475 4.826 4.350 0.001 0.000 0.306 232 T C -1.521 173.504 174.700 0.542 0.000 1.224 232 T CA -0.814 61.553 62.100 0.445 0.000 1.012 232 T CB 1.151 70.176 68.868 0.261 0.000 1.221 232 T HN 0.667 nan 8.240 nan 0.000 0.499 233 M N 3.446 123.316 119.600 0.451 0.000 2.066 233 M HA 0.699 5.180 4.480 0.001 0.000 0.340 233 M C -0.483 176.105 176.300 0.479 0.000 1.053 233 M CA -0.728 54.919 55.300 0.579 0.000 0.983 233 M CB 0.602 33.612 32.600 0.683 0.000 1.520 233 M HN 0.686 nan 8.290 nan 0.000 0.428 234 A N 6.831 129.987 122.820 0.560 0.000 2.320 234 A HA 0.653 4.974 4.320 0.001 0.000 0.287 234 A C -0.716 177.271 177.584 0.671 0.000 1.181 234 A CA -0.510 51.839 52.037 0.519 0.000 0.831 234 A CB 0.070 19.402 19.000 0.553 0.000 1.102 234 A HN 0.921 nan 8.150 nan 0.000 0.513 235 I N 2.842 123.736 120.570 0.541 0.000 2.406 235 I HA 0.300 4.471 4.170 0.001 0.000 0.290 235 I C -1.142 175.347 176.117 0.620 0.000 0.999 235 I CA -0.591 61.097 61.300 0.648 0.000 1.124 235 I CB 1.736 40.084 38.000 0.580 0.000 1.289 235 I HN 0.383 nan 8.210 nan 0.000 0.441 236 L N 7.241 128.860 121.223 0.659 0.000 2.294 236 L HA 0.432 4.773 4.340 0.001 0.000 0.283 236 L C -0.718 176.442 176.870 0.483 0.000 1.015 236 L CA -0.305 54.856 54.840 0.536 0.000 0.831 236 L CB 1.448 43.822 42.059 0.526 0.000 1.217 236 L HN 0.414 nan 8.230 nan 0.000 0.420 237 L N 7.184 128.652 121.223 0.408 0.000 2.295 237 L HA 0.659 5.000 4.340 0.001 0.000 0.281 237 L C -2.369 174.661 176.870 0.267 0.000 1.018 237 L CA -1.823 53.151 54.840 0.223 0.000 0.841 237 L CB 1.184 43.182 42.059 -0.101 0.000 1.218 237 L HN 0.297 nan 8.230 nan 0.000 0.424 238 P HA 0.053 nan 4.420 nan 0.000 0.266 238 P C 0.153 177.669 177.300 0.359 0.000 1.195 238 P CA 0.000 63.283 63.100 0.304 0.000 0.768 238 P CB 0.642 32.508 31.700 0.277 0.000 0.838 239 K N 2.338 122.912 120.400 0.291 0.000 2.063 239 K HA -0.136 4.185 4.320 0.001 0.000 0.208 239 K C 0.471 177.097 176.600 0.044 0.000 1.048 239 K CA 1.342 57.757 56.287 0.213 0.000 0.928 239 K CB 0.092 32.747 32.500 0.258 0.000 0.713 239 K HN 0.439 nan 8.250 nan 0.000 0.442 240 E N 0.858 121.074 120.200 0.027 0.000 2.301 240 E HA 0.014 4.365 4.350 0.001 0.000 0.275 240 E C 0.348 176.810 176.600 -0.229 0.000 1.030 240 E CA -0.136 56.207 56.400 -0.095 0.000 0.852 240 E CB 1.194 30.879 29.700 -0.024 0.000 1.060 240 E HN 0.172 nan 8.360 nan 0.000 0.401 241 N N 0.655 119.123 118.700 -0.386 0.000 2.091 241 N HA -0.166 4.575 4.740 0.001 0.000 0.193 241 N C 1.117 176.562 175.510 -0.107 0.000 1.021 241 N CA 2.059 54.844 53.050 -0.442 0.000 0.862 241 N CB -0.056 38.205 38.487 -0.376 0.000 1.018 241 N HN 0.515 nan 8.380 nan 0.000 0.429 242 T N -3.940 110.583 114.554 -0.051 0.000 3.243 242 T HA 0.362 4.713 4.350 0.001 0.000 0.264 242 T C 1.418 176.151 174.700 0.055 0.000 1.000 242 T CA -0.142 61.970 62.100 0.021 0.000 0.901 242 T CB 0.271 69.142 68.868 0.004 0.000 1.083 242 T HN 0.141 nan 8.240 nan 0.000 0.559 243 G N 0.644 109.494 108.800 0.084 0.000 2.650 243 G HA2 -0.012 3.949 3.960 0.001 0.000 0.214 243 G HA3 -0.012 3.949 3.960 0.001 0.000 0.214 243 G C 1.329 176.305 174.900 0.127 0.000 1.136 243 G CA 0.407 45.569 45.100 0.104 0.000 0.789 243 G HN 0.446 nan 8.290 nan 0.000 0.536 244 V N 0.338 120.338 119.914 0.143 0.000 2.407 244 V HA -0.107 4.013 4.120 0.001 0.000 0.248 244 V C 2.649 178.805 176.094 0.104 0.000 1.055 244 V CA 2.185 64.571 62.300 0.144 0.000 1.049 244 V CB -0.035 31.876 31.823 0.146 0.000 0.662 244 V HN 0.317 nan 8.190 nan 0.000 0.455 245 E N 0.296 120.543 120.200 0.078 0.000 2.072 245 E HA -0.116 4.235 4.350 0.001 0.000 0.191 245 E C 2.205 178.838 176.600 0.055 0.000 0.985 245 E CA 1.368 57.801 56.400 0.055 0.000 0.801 245 E CB -0.880 28.844 29.700 0.040 0.000 0.750 245 E HN 0.674 nan 8.360 nan 0.000 0.452 246 G N 1.585 110.422 108.800 0.061 0.000 2.442 246 G HA2 -0.243 3.718 3.960 0.001 0.000 0.219 246 G HA3 -0.243 3.718 3.960 0.001 0.000 0.219 246 G C 1.642 176.587 174.900 0.075 0.000 1.141 246 G CA 0.859 45.995 45.100 0.060 0.000 0.763 246 G HN 0.230 nan 8.290 nan 0.000 0.554 247 L N 0.794 122.077 121.223 0.101 0.000 2.027 247 L HA 0.108 4.448 4.340 0.001 0.000 0.206 247 L C 2.653 179.594 176.870 0.118 0.000 1.074 247 L CA 2.558 57.475 54.840 0.129 0.000 0.745 247 L CB -0.622 41.540 42.059 0.171 0.000 0.898 247 L HN 0.262 nan 8.230 nan 0.000 0.433 248 K N -1.230 119.232 120.400 0.103 0.000 2.063 248 K HA -0.222 4.099 4.320 0.001 0.000 0.208 248 K C 2.086 178.716 176.600 0.049 0.000 1.048 248 K CA 1.634 57.970 56.287 0.080 0.000 0.928 248 K CB -0.090 32.443 32.500 0.055 0.000 0.713 248 K HN 0.410 nan 8.250 nan 0.000 0.442 249 Q N 0.396 120.220 119.800 0.040 0.000 2.119 249 Q HA -0.087 4.253 4.340 0.001 0.000 0.201 249 Q C 1.689 177.703 176.000 0.023 0.000 0.972 249 Q CA 1.116 56.932 55.803 0.022 0.000 0.847 249 Q CB -0.235 28.514 28.738 0.018 0.000 0.903 249 Q HN 0.412 nan 8.270 nan 0.000 0.433 250 N N 0.230 118.954 118.700 0.040 0.000 2.416 250 N HA -0.035 4.706 4.740 0.001 0.000 0.177 250 N C 0.481 176.007 175.510 0.027 0.000 1.036 250 N CA 0.038 53.110 53.050 0.035 0.000 0.901 250 N CB 0.037 38.557 38.487 0.056 0.000 0.976 250 N HN 0.134 nan 8.380 nan 0.000 0.444 251 L N 1.425 122.675 121.223 0.044 0.000 2.439 251 L HA 0.150 4.491 4.340 0.001 0.000 0.269 251 L C 0.619 177.477 176.870 -0.019 0.000 1.179 251 L CA 0.344 55.202 54.840 0.029 0.000 0.828 251 L CB 0.725 42.831 42.059 0.078 0.000 1.106 251 L HN 0.161 nan 8.230 nan 0.000 0.467 252 T N 1.223 115.743 114.554 -0.057 0.000 2.901 252 T HA 0.425 4.776 4.350 0.001 0.000 0.293 252 T C 1.155 175.820 174.700 -0.059 0.000 1.084 252 T CA -0.848 61.216 62.100 -0.059 0.000 1.008 252 T CB 0.823 69.649 68.868 -0.069 0.000 1.170 252 T HN 0.348 nan 8.240 nan 0.000 0.509 253 I N 0.862 121.407 120.570 -0.042 0.000 2.286 253 I HA -0.096 4.074 4.170 0.001 0.000 0.248 253 I C 1.841 177.957 176.117 -0.002 0.000 1.115 253 I CA 1.391 62.691 61.300 -0.001 0.000 1.392 253 I CB -1.121 36.880 38.000 0.002 0.000 1.065 253 I HN 0.708 nan 8.210 nan 0.000 0.418 254 D N 0.689 121.054 120.400 -0.058 0.000 2.117 254 D HA -0.144 4.497 4.640 0.001 0.000 0.197 254 D C 2.369 178.555 176.300 -0.191 0.000 0.987 254 D CA 1.064 55.004 54.000 -0.099 0.000 0.829 254 D CB -0.175 40.571 40.800 -0.090 0.000 0.961 254 D HN 0.293 nan 8.370 nan 0.000 0.460 255 R N -0.426 119.924 120.500 -0.250 0.000 2.081 255 R HA -0.112 4.228 4.340 0.001 0.000 0.235 255 R C 2.272 178.159 176.300 -0.689 0.000 1.131 255 R CA 0.813 56.602 56.100 -0.517 0.000 0.960 255 R CB -0.496 29.505 30.300 -0.499 0.000 0.856 255 R HN 0.173 nan 8.270 nan 0.000 0.436 256 F N 2.252 121.903 119.950 -0.498 0.000 2.069 256 F HA -0.260 4.268 4.527 0.001 0.000 0.298 256 F C 2.342 177.979 175.800 -0.271 0.000 1.113 256 F CA 1.634 59.420 58.000 -0.357 0.000 1.214 256 F CB -0.210 38.593 39.000 -0.329 0.000 0.978 256 F HN -0.064 nan 8.300 nan 0.000 0.474 257 Q N 0.363 119.981 119.800 -0.303 0.000 2.084 257 Q HA -0.195 4.145 4.340 0.001 0.000 0.202 257 Q C 1.945 177.770 176.000 -0.292 0.000 0.978 257 Q CA 1.579 57.184 55.803 -0.331 0.000 0.844 257 Q CB -0.846 27.802 28.738 -0.151 0.000 0.898 257 Q HN 0.481 nan 8.270 nan 0.000 0.426 258 N N -0.043 118.484 118.700 -0.289 0.000 2.188 258 N HA -0.123 4.618 4.740 0.001 0.000 0.184 258 N C 1.708 177.099 175.510 -0.198 0.000 1.018 258 N CA 0.872 53.782 53.050 -0.233 0.000 0.858 258 N CB -0.399 37.936 38.487 -0.254 0.000 0.989 258 N HN 0.271 nan 8.380 nan 0.000 0.426 259 Y N 1.490 121.539 120.300 -0.419 0.000 2.128 259 Y HA -0.046 4.504 4.550 0.001 0.000 0.284 259 Y C 2.323 178.093 175.900 -0.216 0.000 1.154 259 Y CA 0.510 58.273 58.100 -0.561 0.000 1.149 259 Y CB -0.935 37.099 38.460 -0.710 0.000 0.976 259 Y HN 0.014 nan 8.280 nan 0.000 0.505 260 L N -1.268 119.858 121.223 -0.162 0.000 2.083 260 L HA -0.213 4.128 4.340 0.001 0.000 0.209 260 L C 2.334 179.165 176.870 -0.065 0.000 1.083 260 L CA 1.487 56.229 54.840 -0.163 0.000 0.752 260 L CB -0.770 41.081 42.059 -0.348 0.000 0.899 260 L HN 0.062 nan 8.230 nan 0.000 0.433 261 S N -0.488 115.170 115.700 -0.071 0.000 2.419 261 S HA -0.151 4.320 4.470 0.001 0.000 0.233 261 S C 1.258 175.877 174.600 0.031 0.000 1.016 261 S CA 1.172 59.356 58.200 -0.027 0.000 0.974 261 S CB -0.187 62.987 63.200 -0.043 0.000 0.786 261 S HN 0.424 nan 8.310 nan 0.000 0.492 262 D N 0.752 121.214 120.400 0.104 0.000 2.350 262 D HA 0.197 4.838 4.640 0.001 0.000 0.213 262 D C 0.258 176.643 176.300 0.142 0.000 1.031 262 D CA 0.036 54.139 54.000 0.173 0.000 0.861 262 D CB -0.026 40.988 40.800 0.357 0.000 0.926 262 D HN 0.335 nan 8.370 nan 0.000 0.520 263 L N 1.294 122.586 121.223 0.115 0.000 2.461 263 L HA 0.183 4.523 4.340 0.001 0.000 0.272 263 L C 0.679 177.558 176.870 0.014 0.000 1.197 263 L CA 0.166 55.029 54.840 0.038 0.000 0.836 263 L CB 0.433 42.507 42.059 0.025 0.000 1.105 263 L HN -0.265 nan 8.230 nan 0.000 0.477 264 R N 1.852 122.355 120.500 0.004 0.000 2.628 264 R HA 0.270 4.610 4.340 0.001 0.000 0.288 264 R C -0.740 175.578 176.300 0.029 0.000 0.980 264 R CA -0.876 55.233 56.100 0.015 0.000 0.891 264 R CB 1.744 32.051 30.300 0.012 0.000 1.188 264 R HN 0.576 nan 8.270 nan 0.000 0.450 265 E N 2.481 122.689 120.200 0.014 0.000 2.480 265 E HA -0.001 4.350 4.350 0.001 0.000 0.258 265 E C -0.497 176.105 176.600 0.003 0.000 0.984 265 E CA 0.472 56.874 56.400 0.004 0.000 0.930 265 E CB 0.687 30.383 29.700 -0.007 0.000 0.936 265 E HN 0.292 nan 8.360 nan 0.000 0.466 266 R N 3.419 123.913 120.500 -0.009 0.000 2.626 266 R HA 0.195 4.535 4.340 0.001 0.000 0.274 266 R C -1.235 175.017 176.300 -0.081 0.000 1.031 266 R CA -0.857 55.221 56.100 -0.036 0.000 0.898 266 R CB 1.197 31.483 30.300 -0.024 0.000 1.222 266 R HN 0.374 nan 8.270 nan 0.000 0.455 267 K N 5.460 125.808 120.400 -0.087 0.000 2.383 267 K HA 0.212 4.533 4.320 0.001 0.000 0.286 267 K C -0.457 176.054 176.600 -0.148 0.000 1.051 267 K CA -0.054 56.172 56.287 -0.101 0.000 0.974 267 K CB 0.165 32.618 32.500 -0.078 0.000 0.968 267 K HN 0.518 nan 8.250 nan 0.000 0.475 268 I N -0.009 120.465 120.570 -0.161 0.000 2.969 268 I HA 0.403 4.574 4.170 0.001 0.000 0.307 268 I C -0.949 175.095 176.117 -0.123 0.000 1.149 268 I CA -0.892 60.292 61.300 -0.194 0.000 1.008 268 I CB 2.513 40.329 38.000 -0.306 0.000 1.232 268 I HN 0.260 nan 8.210 nan 0.000 0.435 269 T N 3.536 118.038 114.554 -0.087 0.000 2.749 269 T HA 0.482 4.833 4.350 0.001 0.000 0.287 269 T C -0.246 174.478 174.700 0.039 0.000 0.970 269 T CA -0.379 61.699 62.100 -0.036 0.000 0.980 269 T CB 1.342 70.188 68.868 -0.037 0.000 0.924 269 T HN 0.389 nan 8.240 nan 0.000 0.456 270 V N 5.690 125.644 119.914 0.067 0.000 2.370 270 V HA 0.383 4.504 4.120 0.001 0.000 0.279 270 V C -0.121 176.098 176.094 0.208 0.000 1.029 270 V CA -0.687 61.734 62.300 0.202 0.000 0.870 270 V CB 0.969 32.903 31.823 0.185 0.000 0.984 270 V HN 0.739 nan 8.190 nan 0.000 0.451 271 L N 6.570 127.881 121.223 0.147 0.000 2.295 271 L HA 0.570 4.911 4.340 0.001 0.000 0.281 271 L C -0.757 176.132 176.870 0.032 0.000 1.018 271 L CA -0.329 54.561 54.840 0.084 0.000 0.841 271 L CB 1.410 43.492 42.059 0.038 0.000 1.218 271 L HN 0.472 nan 8.230 nan 0.000 0.424 272 L N 6.567 127.790 121.223 -0.001 0.000 2.376 272 L HA 0.669 5.010 4.340 0.001 0.000 0.275 272 L C -2.514 174.284 176.870 -0.118 0.000 0.987 272 L CA -1.743 53.044 54.840 -0.089 0.000 0.828 272 L CB 2.003 44.002 42.059 -0.101 0.000 1.249 272 L HN 0.175 nan 8.230 nan 0.000 0.409 273 P HA 0.014 nan 4.420 nan 0.000 0.265 273 P C -1.353 176.004 177.300 0.096 0.000 1.187 273 P CA 0.021 63.138 63.100 0.028 0.000 0.766 273 P CB 0.341 32.026 31.700 -0.025 0.000 0.820 274 K N 4.379 124.777 120.400 -0.003 0.000 2.312 274 K HA 0.376 4.697 4.320 0.001 0.000 0.287 274 K C -0.755 175.875 176.600 0.049 0.000 1.062 274 K CA -0.264 55.987 56.287 -0.058 0.000 0.934 274 K CB -0.183 32.265 32.500 -0.086 0.000 1.027 274 K HN 0.415 nan 8.250 nan 0.000 0.478 275 F N 0.933 120.813 119.950 -0.118 0.000 2.631 275 F HA 0.549 5.077 4.527 0.001 0.000 0.308 275 F C -1.467 174.260 175.800 -0.121 0.000 1.097 275 F CA -1.187 56.740 58.000 -0.121 0.000 0.952 275 F CB 1.278 40.199 39.000 -0.132 0.000 1.307 275 F HN 0.166 nan 8.300 nan 0.000 0.450 276 K N 3.075 123.512 120.400 0.062 0.000 2.324 276 K HA 0.744 5.065 4.320 0.001 0.000 0.253 276 K C -1.555 175.089 176.600 0.074 0.000 0.932 276 K CA -0.786 55.485 56.287 -0.028 0.000 0.799 276 K CB 2.802 35.269 32.500 -0.055 0.000 1.154 276 K HN 0.669 nan 8.250 nan 0.000 0.425 277 L N 1.484 122.710 121.223 0.005 0.000 2.362 277 L HA 0.513 4.854 4.340 0.001 0.000 0.271 277 L C -0.528 176.344 176.870 0.003 0.000 1.002 277 L CA -0.742 54.110 54.840 0.020 0.000 0.818 277 L CB 2.031 44.099 42.059 0.016 0.000 1.298 277 L HN 0.674 nan 8.230 nan 0.000 0.420 278 E N 1.992 122.223 120.200 0.052 0.000 2.281 278 E HA 0.479 4.830 4.350 0.001 0.000 0.266 278 E C -1.509 175.130 176.600 0.065 0.000 0.893 278 E CA -0.382 56.057 56.400 0.065 0.000 0.798 278 E CB 2.037 31.753 29.700 0.027 0.000 1.245 278 E HN 0.715 nan 8.360 nan 0.000 0.410 279 T N 1.385 116.000 114.554 0.101 0.000 2.906 279 T HA 0.724 5.074 4.350 0.001 0.000 0.295 279 T C -0.779 173.842 174.700 -0.132 0.000 1.075 279 T CA -1.018 61.066 62.100 -0.026 0.000 1.005 279 T CB 1.856 70.794 68.868 0.117 0.000 1.136 279 T HN 0.498 nan 8.240 nan 0.000 0.498 280 K N 0.430 120.574 120.400 -0.426 0.000 2.542 280 K HA 0.641 4.962 4.320 0.001 0.000 0.259 280 K C -2.183 174.069 176.600 -0.580 0.000 0.932 280 K CA -1.076 55.021 56.287 -0.317 0.000 0.820 280 K CB 1.595 34.007 32.500 -0.147 0.000 1.345 280 K HN 0.669 nan 8.250 nan 0.000 0.432 281 Y N -0.040 120.310 120.300 0.083 0.000 2.504 281 Y HA 0.334 4.885 4.550 0.002 0.000 0.344 281 Y C -0.631 175.297 175.900 0.047 0.000 1.023 281 Y CA -0.991 57.140 58.100 0.051 0.000 1.020 281 Y CB 2.982 41.464 38.460 0.036 0.000 1.282 281 Y HN 0.591 nan 8.280 nan 0.000 0.454 282 S N 3.186 118.983 115.700 0.162 0.000 2.411 282 S HA 0.312 4.782 4.470 0.001 0.000 0.294 282 S C 0.725 175.370 174.600 0.075 0.000 1.115 282 S CA -0.579 57.683 58.200 0.103 0.000 1.071 282 S CB 0.170 63.400 63.200 0.051 0.000 0.967 282 S HN 0.650 nan 8.310 nan 0.000 0.488 283 L N 3.281 124.549 121.223 0.076 0.000 2.591 283 L HA 0.108 4.449 4.340 0.001 0.000 0.228 283 L C 2.355 179.198 176.870 -0.046 0.000 1.133 283 L CA 0.272 55.123 54.840 0.019 0.000 0.880 283 L CB -0.182 41.908 42.059 0.051 0.000 1.033 283 L HN 0.618 nan 8.230 nan 0.000 0.450 284 K N 1.284 121.593 120.400 -0.152 0.000 2.001 284 K HA -0.263 4.057 4.320 0.001 0.000 0.214 284 K C 2.126 178.484 176.600 -0.404 0.000 1.050 284 K CA 1.948 57.911 56.287 -0.540 0.000 0.934 284 K CB -0.091 31.974 32.500 -0.724 0.000 0.718 284 K HN 0.275 nan 8.250 nan 0.000 0.443 285 A N 1.103 123.777 122.820 -0.244 0.000 1.877 285 A HA -0.062 4.259 4.320 0.001 0.000 0.216 285 A C -0.547 176.967 177.584 -0.116 0.000 1.186 285 A CA 1.324 53.262 52.037 -0.165 0.000 0.620 285 A CB -1.518 17.413 19.000 -0.116 0.000 0.822 285 A HN 0.365 nan 8.150 nan 0.000 0.443 286 P HA -0.154 nan 4.420 nan 0.000 0.216 286 P C 1.434 178.688 177.300 -0.076 0.000 1.153 286 P CA 0.977 64.000 63.100 -0.128 0.000 0.858 286 P CB -0.159 31.421 31.700 -0.200 0.000 0.789 287 L N -1.125 120.094 121.223 -0.008 0.000 2.093 287 L HA -0.186 4.155 4.340 0.001 0.000 0.208 287 L C 2.641 179.594 176.870 0.138 0.000 1.085 287 L CA 1.453 56.367 54.840 0.123 0.000 0.755 287 L CB -0.949 41.288 42.059 0.297 0.000 0.904 287 L HN 0.004 nan 8.230 nan 0.000 0.435 288 Q N -0.279 119.574 119.800 0.090 0.000 2.096 288 Q HA -0.217 4.123 4.340 0.001 0.000 0.204 288 Q C 2.447 178.464 176.000 0.029 0.000 0.982 288 Q CA 1.983 57.832 55.803 0.076 0.000 0.850 288 Q CB -0.214 28.517 28.738 -0.012 0.000 0.901 288 Q HN 0.603 nan 8.270 nan 0.000 0.422 289 S N 0.386 116.080 115.700 -0.011 0.000 2.419 289 S HA -0.080 4.391 4.470 0.001 0.000 0.233 289 S C 1.677 176.266 174.600 -0.019 0.000 1.016 289 S CA 0.745 58.929 58.200 -0.028 0.000 0.974 289 S CB -0.231 62.934 63.200 -0.058 0.000 0.786 289 S HN 0.338 nan 8.310 nan 0.000 0.492 290 L N 0.854 122.075 121.223 -0.003 0.000 2.612 290 L HA 0.345 4.685 4.340 0.001 0.000 0.230 290 L C 1.792 178.681 176.870 0.033 0.000 1.140 290 L CA 0.327 55.174 54.840 0.011 0.000 0.896 290 L CB -0.652 41.428 42.059 0.034 0.000 1.065 290 L HN 0.620 nan 8.230 nan 0.000 0.447 291 G N 0.848 109.670 108.800 0.037 0.000 2.157 291 G HA2 -0.257 3.703 3.960 0.001 0.000 0.239 291 G HA3 -0.257 3.703 3.960 0.001 0.000 0.239 291 G C 0.152 175.083 174.900 0.051 0.000 0.982 291 G CA -0.418 44.703 45.100 0.036 0.000 0.650 291 G HN 0.285 nan 8.290 nan 0.000 0.527 292 I N 0.748 121.370 120.570 0.088 0.000 2.287 292 I HA 0.393 4.563 4.170 0.001 0.000 0.290 292 I C 1.028 177.260 176.117 0.191 0.000 1.069 292 I CA -0.165 61.190 61.300 0.092 0.000 1.237 292 I CB 1.154 39.209 38.000 0.090 0.000 1.418 292 I HN 0.105 nan 8.210 nan 0.000 0.481 293 K N 2.995 123.465 120.400 0.118 0.000 2.494 293 K HA 0.072 4.393 4.320 0.001 0.000 0.201 293 K C 1.614 178.286 176.600 0.121 0.000 1.338 293 K CA -0.081 56.322 56.287 0.193 0.000 0.935 293 K CB 0.145 32.709 32.500 0.106 0.000 1.514 293 K HN 0.406 nan 8.250 nan 0.000 0.490 294 Q N 1.601 121.410 119.800 0.015 0.000 2.181 294 Q HA -0.102 4.239 4.340 0.001 0.000 0.205 294 Q C 1.955 177.907 176.000 -0.081 0.000 0.980 294 Q CA 1.266 57.053 55.803 -0.026 0.000 0.862 294 Q CB -0.009 28.707 28.738 -0.035 0.000 0.905 294 Q HN 0.317 nan 8.270 nan 0.000 0.429 295 I N -0.201 120.257 120.570 -0.187 0.000 2.423 295 I HA -0.254 3.917 4.170 0.001 0.000 0.254 295 I C 0.761 176.697 176.117 -0.303 0.000 1.151 295 I CA 0.958 62.073 61.300 -0.308 0.000 1.421 295 I CB 0.077 37.787 38.000 -0.484 0.000 1.079 295 I HN 0.219 nan 8.210 nan 0.000 0.431 296 F N 0.645 120.581 119.950 -0.024 0.000 2.743 296 F HA 0.145 4.673 4.527 0.002 0.000 0.297 296 F C 1.096 176.864 175.800 -0.054 0.000 1.131 296 F CA 0.177 58.161 58.000 -0.025 0.000 1.426 296 F CB -0.102 38.887 39.000 -0.018 0.000 1.116 296 F HN -0.014 nan 8.300 nan 0.000 0.583 297 E N -0.755 119.472 120.200 0.045 0.000 2.320 297 E HA 0.208 4.558 4.350 0.001 0.000 0.264 297 E C -0.349 176.086 176.600 -0.275 0.000 0.923 297 E CA -0.751 55.612 56.400 -0.062 0.000 0.796 297 E CB 1.435 31.108 29.700 -0.046 0.000 1.262 297 E HN -0.217 nan 8.360 nan 0.000 0.428 298 S N -0.409 115.069 115.700 -0.370 0.000 2.573 298 S HA 0.238 4.709 4.470 0.001 0.000 0.297 298 S C 1.158 175.337 174.600 -0.701 0.000 1.280 298 S CA 1.506 59.237 58.200 -0.781 0.000 1.061 298 S CB -0.218 62.732 63.200 -0.417 0.000 0.812 298 S HN 0.763 nan 8.310 nan 0.000 0.500 299 G N 2.504 110.673 108.800 -1.052 0.000 2.213 299 G HA2 -0.134 3.827 3.960 0.001 0.000 0.236 299 G HA3 -0.134 3.827 3.960 0.001 0.000 0.236 299 G C 0.307 175.127 174.900 -0.134 0.000 0.991 299 G CA 0.074 44.972 45.100 -0.336 0.000 0.629 299 G HN 1.527 nan 8.290 nan 0.000 0.517 300 A N 0.281 122.988 122.820 -0.187 0.000 2.561 300 A HA 0.424 4.745 4.320 0.001 0.000 0.234 300 A C 0.321 177.969 177.584 0.106 0.000 1.055 300 A CA 1.065 53.096 52.037 -0.010 0.000 0.756 300 A CB 0.269 19.267 19.000 -0.004 0.000 0.986 300 A HN 0.382 nan 8.150 nan 0.000 0.505 301 D N 2.535 122.947 120.400 0.021 0.000 2.493 301 D HA 0.378 5.019 4.640 0.001 0.000 0.235 301 D C -0.102 176.166 176.300 -0.054 0.000 1.117 301 D CA 0.003 54.004 54.000 0.002 0.000 0.930 301 D CB 0.127 40.917 40.800 -0.018 0.000 1.010 301 D HN 0.429 nan 8.370 nan 0.000 0.514 302 L N 2.358 123.544 121.223 -0.061 0.000 3.062 302 L HA 0.086 4.427 4.340 0.001 0.000 0.255 302 L C 1.864 178.630 176.870 -0.174 0.000 1.274 302 L CA -0.141 54.617 54.840 -0.138 0.000 1.047 302 L CB 0.179 42.153 42.059 -0.141 0.000 1.402 302 L HN 0.216 nan 8.230 nan 0.000 0.550 303 S N -1.307 114.314 115.700 -0.133 0.000 2.547 303 S HA -0.085 4.386 4.470 0.001 0.000 0.235 303 S C 1.898 176.408 174.600 -0.150 0.000 0.980 303 S CA 0.772 58.892 58.200 -0.132 0.000 0.941 303 S CB -0.243 62.902 63.200 -0.092 0.000 0.763 303 S HN 0.489 nan 8.310 nan 0.000 0.532 304 G N 1.317 110.007 108.800 -0.183 0.000 2.559 304 G HA2 0.092 4.053 3.960 0.001 0.000 0.216 304 G HA3 0.092 4.053 3.960 0.001 0.000 0.216 304 G C 1.212 175.923 174.900 -0.316 0.000 1.126 304 G CA 0.562 45.547 45.100 -0.192 0.000 0.778 304 G HN 0.601 nan 8.290 nan 0.000 0.543 305 I N 0.945 121.247 120.570 -0.446 0.000 2.429 305 I HA -0.000 4.171 4.170 0.001 0.000 0.247 305 I C 1.867 177.836 176.117 -0.247 0.000 1.099 305 I CA 1.181 62.101 61.300 -0.633 0.000 1.422 305 I CB 0.103 37.715 38.000 -0.647 0.000 1.112 305 I HN 0.285 nan 8.210 nan 0.000 0.430 306 N N -1.443 117.151 118.700 -0.176 0.000 2.116 306 N HA -0.013 4.727 4.740 0.001 0.000 0.230 306 N C -0.013 175.443 175.510 -0.090 0.000 1.326 306 N CA 0.051 53.041 53.050 -0.100 0.000 0.867 306 N CB 0.070 38.500 38.487 -0.095 0.000 1.174 306 N HN 0.025 nan 8.380 nan 0.000 0.506 307 D N -1.177 119.163 120.400 -0.100 0.000 3.012 307 D HA -0.109 4.531 4.640 0.001 0.000 0.222 307 D C 0.319 176.562 176.300 -0.095 0.000 1.167 307 D CA 1.791 55.740 54.000 -0.085 0.000 0.854 307 D CB -1.076 39.688 40.800 -0.060 0.000 1.107 307 D HN 0.718 nan 8.370 nan 0.000 0.421 308 G N -2.128 106.597 108.800 -0.125 0.000 3.247 308 G HA2 0.613 4.574 3.960 0.001 0.000 0.226 308 G HA3 0.613 4.574 3.960 0.001 0.000 0.226 308 G C -0.911 173.854 174.900 -0.225 0.000 1.220 308 G CA -0.282 44.724 45.100 -0.157 0.000 0.875 308 G HN 0.107 nan 8.290 nan 0.000 0.606 309 S N 0.317 115.798 115.700 -0.365 0.000 2.423 309 S HA 0.656 5.126 4.470 0.001 0.000 0.317 309 S C -0.573 173.630 174.600 -0.661 0.000 1.065 309 S CA -0.223 57.525 58.200 -0.755 0.000 1.111 309 S CB 0.084 62.551 63.200 -1.220 0.000 0.968 309 S HN 0.361 nan 8.310 nan 0.000 0.474 310 L N 3.933 124.964 121.223 -0.321 0.000 2.409 310 L HA 0.721 5.062 4.340 0.001 0.000 0.262 310 L C -0.183 176.786 176.870 0.164 0.000 0.992 310 L CA -0.926 53.865 54.840 -0.082 0.000 0.817 310 L CB 2.261 44.256 42.059 -0.107 0.000 1.350 310 L HN 0.589 nan 8.230 nan 0.000 0.411 311 R N 0.571 121.170 120.500 0.166 0.000 2.817 311 R HA 0.750 5.091 4.340 0.001 0.000 0.268 311 R C -1.720 174.602 176.300 0.037 0.000 1.027 311 R CA -0.899 55.266 56.100 0.108 0.000 0.928 311 R CB 1.794 32.170 30.300 0.127 0.000 1.228 311 R HN 0.216 nan 8.270 nan 0.000 0.469 312 V N 2.657 122.570 119.914 -0.001 0.000 2.408 312 V HA 0.062 4.182 4.120 0.001 0.000 0.267 312 V C 1.404 177.619 176.094 0.202 0.000 1.047 312 V CA 0.307 62.636 62.300 0.049 0.000 0.937 312 V CB 1.119 32.904 31.823 -0.063 0.000 0.999 312 V HN 1.025 nan 8.190 nan 0.000 0.472 313 S N 4.074 119.855 115.700 0.135 0.000 2.395 313 S HA 0.320 4.791 4.470 0.001 0.000 0.225 313 S C 0.714 175.409 174.600 0.159 0.000 1.027 313 S CA 0.486 58.762 58.200 0.126 0.000 0.965 313 S CB 0.221 63.447 63.200 0.044 0.000 0.812 313 S HN 1.214 nan 8.310 nan 0.000 0.482 314 A N 0.031 122.965 122.820 0.191 0.000 2.589 314 A HA 0.665 4.985 4.320 0.001 0.000 0.296 314 A C -1.480 176.257 177.584 0.256 0.000 1.062 314 A CA -0.648 51.505 52.037 0.195 0.000 0.686 314 A CB 1.612 20.712 19.000 0.167 0.000 1.282 314 A HN 0.407 nan 8.150 nan 0.000 0.404 315 V N 2.725 122.789 119.914 0.250 0.000 2.376 315 V HA 0.480 4.601 4.120 0.001 0.000 0.287 315 V C -0.786 175.430 176.094 0.204 0.000 1.015 315 V CA -0.527 61.919 62.300 0.243 0.000 0.834 315 V CB 1.365 33.347 31.823 0.266 0.000 1.001 315 V HN 0.845 nan 8.190 nan 0.000 0.428 316 E N 2.727 123.045 120.200 0.197 0.000 2.183 316 E HA 0.558 4.909 4.350 0.001 0.000 0.271 316 E C -1.191 175.503 176.600 0.156 0.000 0.919 316 E CA -0.691 55.783 56.400 0.123 0.000 0.781 316 E CB 2.702 32.384 29.700 -0.030 0.000 1.140 316 E HN 0.751 nan 8.360 nan 0.000 0.402 317 H N 0.842 119.965 119.070 0.088 0.000 2.679 317 H HA 0.481 5.038 4.556 0.001 0.000 0.360 317 H C -1.232 174.186 175.328 0.151 0.000 1.105 317 H CA -0.528 55.611 56.048 0.152 0.000 1.196 317 H CB 1.377 31.282 29.762 0.238 0.000 1.636 317 H HN 0.245 nan 8.280 nan 0.000 0.531 318 K N 3.001 123.241 120.400 -0.267 0.000 2.422 318 K HA 0.839 5.160 4.320 0.001 0.000 0.251 318 K C -1.791 174.719 176.600 -0.151 0.000 0.933 318 K CA -0.821 55.392 56.287 -0.123 0.000 0.798 318 K CB 1.907 34.360 32.500 -0.077 0.000 1.238 318 K HN 0.663 nan 8.250 nan 0.000 0.428 319 A N 1.746 124.628 122.820 0.103 0.000 2.572 319 A HA 0.757 5.078 4.320 0.001 0.000 0.295 319 A C -1.426 176.401 177.584 0.405 0.000 1.072 319 A CA -0.691 51.538 52.037 0.320 0.000 0.691 319 A CB 1.506 20.791 19.000 0.474 0.000 1.291 319 A HN 0.548 nan 8.150 nan 0.000 0.404 320 V N -1.450 118.710 119.914 0.410 0.000 2.971 320 V HA 0.949 5.070 4.120 0.001 0.000 0.309 320 V C -1.033 175.049 176.094 -0.020 0.000 1.130 320 V CA -0.744 61.648 62.300 0.154 0.000 0.964 320 V CB 0.969 32.835 31.823 0.071 0.000 1.029 320 V HN 1.905 nan 8.190 nan 0.000 0.427 321 V N 1.976 121.708 119.914 -0.302 0.000 2.969 321 V HA 0.696 4.817 4.120 0.001 0.000 0.304 321 V C -1.287 174.600 176.094 -0.345 0.000 1.192 321 V CA -0.098 61.945 62.300 -0.429 0.000 0.962 321 V CB 2.402 33.734 31.823 -0.818 0.000 1.045 321 V HN 1.156 nan 8.190 nan 0.000 0.428 322 E N 4.162 124.158 120.200 -0.341 0.000 2.241 322 E HA 0.611 4.962 4.350 0.001 0.000 0.263 322 E C -1.586 174.762 176.600 -0.419 0.000 0.882 322 E CA -0.595 55.599 56.400 -0.343 0.000 0.769 322 E CB 2.551 32.114 29.700 -0.227 0.000 1.185 322 E HN 0.481 nan 8.360 nan 0.000 0.415 323 V N 3.926 123.483 119.914 -0.594 0.000 2.448 323 V HA 0.393 4.513 4.120 0.001 0.000 0.295 323 V C -0.247 175.662 176.094 -0.308 0.000 1.025 323 V CA -0.688 61.305 62.300 -0.512 0.000 0.859 323 V CB 1.166 32.423 31.823 -0.942 0.000 0.988 323 V HN 0.758 nan 8.190 nan 0.000 0.431 324 N N 2.785 121.432 118.700 -0.087 0.000 3.278 324 N HA 0.346 5.087 4.740 0.001 0.000 0.307 324 N C 0.343 175.964 175.510 0.185 0.000 1.551 324 N CA -0.880 52.154 53.050 -0.027 0.000 0.794 324 N CB 0.870 39.326 38.487 -0.051 0.000 1.770 324 N HN 0.210 nan 8.380 nan 0.000 0.612 325 E N -0.440 119.851 120.200 0.151 0.000 2.204 325 E HA -0.087 4.264 4.350 0.001 0.000 0.195 325 E C 0.548 177.462 176.600 0.523 0.000 0.990 325 E CA 1.406 58.004 56.400 0.329 0.000 0.821 325 E CB -0.058 29.767 29.700 0.208 0.000 0.750 325 E HN 0.612 nan 8.360 nan 0.000 0.477 326 E N -0.948 119.441 120.200 0.314 0.000 2.276 326 E HA 0.252 4.603 4.350 0.001 0.000 0.193 326 E C 0.812 177.445 176.600 0.055 0.000 0.983 326 E CA 0.685 57.213 56.400 0.214 0.000 0.861 326 E CB 0.790 30.525 29.700 0.059 0.000 0.817 326 E HN 0.229 nan 8.360 nan 0.000 0.485 327 G N -1.337 107.331 108.800 -0.220 0.000 2.513 327 G HA2 0.239 4.200 3.960 0.001 0.000 0.182 327 G HA3 0.239 4.200 3.960 0.001 0.000 0.182 327 G C -1.057 173.444 174.900 -0.666 0.000 1.190 327 G CA -0.308 44.243 45.100 -0.914 0.000 0.987 327 G HN -0.061 nan 8.290 nan 0.000 0.479 328 T N -0.322 113.886 114.554 -0.576 0.000 2.993 328 T HA 0.617 4.968 4.350 0.001 0.000 0.312 328 T C -1.269 173.134 174.700 -0.495 0.000 1.115 328 T CA -0.343 61.505 62.100 -0.421 0.000 1.027 328 T CB 2.138 70.871 68.868 -0.226 0.000 1.116 328 T HN 0.900 nan 8.240 nan 0.000 0.464 329 V N 1.910 121.581 119.914 -0.405 0.000 2.531 329 V HA 0.912 5.032 4.120 0.001 0.000 0.301 329 V C -0.365 175.497 176.094 -0.386 0.000 1.034 329 V CA -0.661 61.358 62.300 -0.467 0.000 0.865 329 V CB 1.526 33.143 31.823 -0.342 0.000 0.995 329 V HN 1.164 nan 8.190 nan 0.000 0.424 330 A N 3.684 126.225 122.820 -0.465 0.000 2.475 330 A HA 1.044 5.365 4.320 0.001 0.000 0.301 330 A C -0.607 176.773 177.584 -0.340 0.000 1.059 330 A CA -0.175 51.564 52.037 -0.497 0.000 0.710 330 A CB 2.054 20.439 19.000 -1.026 0.000 1.288 330 A HN 1.620 nan 8.150 nan 0.000 0.408 331 A N 0.185 123.011 122.820 0.009 0.000 2.572 331 A HA 1.021 5.342 4.320 0.001 0.000 0.295 331 A C -0.465 177.390 177.584 0.451 0.000 1.072 331 A CA 0.030 52.243 52.037 0.294 0.000 0.691 331 A CB 1.436 20.594 19.000 0.263 0.000 1.291 331 A HN 2.664 nan 8.150 nan 0.000 0.404 332 A N -0.034 123.049 122.820 0.439 0.000 2.609 332 A HA 0.955 5.275 4.320 0.001 0.000 0.291 332 A C -0.576 177.110 177.584 0.170 0.000 1.096 332 A CA 0.036 52.229 52.037 0.260 0.000 0.684 332 A CB 1.495 20.687 19.000 0.320 0.000 1.282 332 A HN 1.982 nan 8.150 nan 0.000 0.412 333 T N -0.095 114.468 114.554 0.016 0.000 2.932 333 T HA 0.709 5.060 4.350 0.001 0.000 0.318 333 T C -1.298 173.461 174.700 0.098 0.000 1.265 333 T CA -0.052 62.121 62.100 0.122 0.000 1.036 333 T CB 1.604 70.560 68.868 0.146 0.000 1.209 333 T HN 0.927 nan 8.240 nan 0.000 0.484 334 T N 2.302 116.997 114.554 0.236 0.000 2.861 334 T HA 0.716 5.067 4.350 0.001 0.000 0.287 334 T C -0.176 174.637 174.700 0.188 0.000 1.003 334 T CA -0.743 61.520 62.100 0.271 0.000 0.977 334 T CB 1.568 70.639 68.868 0.339 0.000 0.996 334 T HN 0.879 nan 8.240 nan 0.000 0.448 335 G N 1.137 110.038 108.800 0.168 0.000 2.609 335 G HA2 0.577 4.538 3.960 0.001 0.000 0.308 335 G HA3 0.577 4.538 3.960 0.001 0.000 0.308 335 G C -1.019 174.035 174.900 0.258 0.000 1.369 335 G CA -0.522 44.721 45.100 0.237 0.000 0.958 335 G HN 0.677 nan 8.290 nan 0.000 0.499 336 V N 3.151 123.175 119.914 0.183 0.000 2.333 336 V HA 0.274 4.395 4.120 0.001 0.000 0.274 336 V C 0.117 176.274 176.094 0.105 0.000 1.028 336 V CA -0.649 61.734 62.300 0.139 0.000 0.851 336 V CB 1.203 33.065 31.823 0.065 0.000 1.000 336 V HN 0.522 nan 8.190 nan 0.000 0.456 337 V N 7.075 127.054 119.914 0.108 0.000 2.406 337 V HA 0.465 4.586 4.120 0.001 0.000 0.272 337 V C 0.002 176.076 176.094 -0.034 0.000 1.043 337 V CA -0.230 62.063 62.300 -0.011 0.000 0.915 337 V CB 1.364 33.160 31.823 -0.044 0.000 0.988 337 V HN 0.661 nan 8.190 nan 0.000 0.466 338 I N 5.912 126.423 120.570 -0.099 0.000 2.406 338 I HA 0.604 4.775 4.170 0.001 0.000 0.290 338 I C -0.353 175.695 176.117 -0.116 0.000 0.999 338 I CA -0.756 60.497 61.300 -0.079 0.000 1.124 338 I CB 2.042 40.003 38.000 -0.066 0.000 1.289 338 I HN 0.536 nan 8.210 nan 0.000 0.441 339 V N 4.483 124.359 119.914 -0.063 0.000 2.914 339 V HA 0.738 4.859 4.120 0.001 0.000 0.314 339 V C -2.729 173.351 176.094 -0.024 0.000 1.084 339 V CA -2.346 59.917 62.300 -0.061 0.000 0.963 339 V CB 1.726 33.526 31.823 -0.039 0.000 1.025 339 V HN 0.450 nan 8.190 nan 0.000 0.432 340 P HA 0.363 nan 4.420 nan 0.000 0.274 340 P C -1.549 175.762 177.300 0.018 0.000 1.246 340 P CA 0.141 63.191 63.100 -0.082 0.000 0.795 340 P CB 0.667 32.309 31.700 -0.096 0.000 1.006 348 V N 1.771 121.601 119.914 -0.141 0.000 2.408 348 V HA 0.342 4.463 4.120 0.001 0.000 0.267 348 V C 0.389 176.394 176.094 -0.147 0.000 1.047 348 V CA -0.393 61.794 62.300 -0.188 0.000 0.937 348 V CB 1.684 33.278 31.823 -0.382 0.000 0.999 348 V HN 0.327 nan 8.190 nan 0.000 0.472 349 V N 6.472 126.342 119.914 -0.074 0.000 2.328 349 V HA 0.320 4.441 4.120 0.001 0.000 0.278 349 V C -0.306 175.826 176.094 0.063 0.000 1.021 349 V CA -0.477 61.814 62.300 -0.015 0.000 0.838 349 V CB 1.259 33.070 31.823 -0.020 0.000 0.999 349 V HN 0.725 nan 8.190 nan 0.000 0.447 350 F N 6.248 126.166 119.950 -0.054 0.000 2.406 350 F HA 0.432 4.960 4.527 0.001 0.000 0.358 350 F C 0.686 176.495 175.800 0.014 0.000 1.161 350 F CA -0.419 57.594 58.000 0.022 0.000 1.185 350 F CB 0.137 39.169 39.000 0.053 0.000 1.421 350 F HN 0.407 nan 8.300 nan 0.000 0.576 351 R N 5.473 125.838 120.500 -0.226 0.000 2.287 351 R HA 0.382 4.723 4.340 0.001 0.000 0.327 351 R C -1.216 174.908 176.300 -0.292 0.000 1.109 351 R CA -0.356 55.645 56.100 -0.165 0.000 1.013 351 R CB 0.564 30.835 30.300 -0.049 0.000 1.126 351 R HN 0.438 nan 8.270 nan 0.000 0.503 352 V N 5.995 125.710 119.914 -0.331 0.000 2.153 352 V HA 0.036 4.157 4.120 0.001 0.000 0.250 352 V C 0.221 176.269 176.094 -0.076 0.000 1.334 352 V CA 0.031 62.078 62.300 -0.421 0.000 1.249 352 V CB 0.296 31.757 31.823 -0.604 0.000 1.371 352 V HN 0.773 nan 8.190 nan 0.000 0.498 353 D N 1.361 121.714 120.400 -0.077 0.000 2.535 353 D HA 0.098 4.738 4.640 0.001 0.000 0.229 353 D C 0.391 176.474 176.300 -0.361 0.000 1.238 353 D CA -0.115 53.910 54.000 0.042 0.000 0.824 353 D CB 0.286 41.198 40.800 0.187 0.000 1.045 353 D HN 0.624 nan 8.370 nan 0.000 0.500 354 H N -2.757 116.046 119.070 -0.445 0.000 2.990 354 H HA 0.505 5.062 4.556 0.001 0.000 0.343 354 H C -3.298 172.021 175.328 -0.015 0.000 1.270 354 H CA -2.034 53.718 56.048 -0.493 0.000 1.118 354 H CB 0.064 29.704 29.762 -0.204 0.000 1.861 354 H HN -0.338 nan 8.280 nan 0.000 0.544 355 P HA 0.003 nan 4.420 nan 0.000 0.263 355 P C -0.776 176.722 177.300 0.329 0.000 1.175 355 P CA 0.751 64.031 63.100 0.300 0.000 0.761 355 P CB -0.071 31.745 31.700 0.194 0.000 0.794 356 F N 1.213 121.253 119.950 0.149 0.000 2.692 356 F HA 0.707 5.235 4.527 0.001 0.000 0.320 356 F C -1.781 174.141 175.800 0.203 0.000 1.123 356 F CA -1.514 56.578 58.000 0.153 0.000 0.961 356 F CB 0.866 39.943 39.000 0.128 0.000 1.383 356 F HN -0.042 nan 8.300 nan 0.000 0.483 357 L N 1.984 123.446 121.223 0.398 0.000 2.334 357 L HA 0.707 5.048 4.340 0.001 0.000 0.273 357 L C -1.025 176.163 176.870 0.529 0.000 1.013 357 L CA -0.939 54.037 54.840 0.228 0.000 0.816 357 L CB 1.947 44.156 42.059 0.249 0.000 1.278 357 L HN 0.817 nan 8.230 nan 0.000 0.431 358 F N 0.136 120.159 119.950 0.121 0.000 2.626 358 F HA 0.778 5.306 4.527 0.001 0.000 0.311 358 F C -1.663 174.106 175.800 -0.051 0.000 1.088 358 F CA -1.304 56.888 58.000 0.321 0.000 0.949 358 F CB 1.464 40.793 39.000 0.548 0.000 1.322 358 F HN 0.093 nan 8.300 nan 0.000 0.461 359 F N 2.891 123.129 119.950 0.479 0.000 2.557 359 F HA 0.585 5.113 4.527 0.001 0.000 0.316 359 F C -0.642 175.441 175.800 0.472 0.000 1.141 359 F CA -0.853 57.326 58.000 0.299 0.000 0.922 359 F CB 2.099 41.233 39.000 0.223 0.000 1.194 359 F HN 0.379 nan 8.300 nan 0.000 0.443 360 I N 4.940 125.848 120.570 0.564 0.000 2.321 360 I HA 0.554 4.725 4.170 0.001 0.000 0.291 360 I C -0.336 176.041 176.117 0.434 0.000 0.998 360 I CA -0.541 61.057 61.300 0.498 0.000 1.227 360 I CB 1.335 39.553 38.000 0.365 0.000 1.368 360 I HN 0.696 nan 8.210 nan 0.000 0.466 361 R N 4.274 125.036 120.500 0.437 0.000 2.799 361 R HA 0.459 4.800 4.340 0.001 0.000 0.270 361 R C -1.268 175.209 176.300 0.295 0.000 1.010 361 R CA -0.956 55.356 56.100 0.353 0.000 0.916 361 R CB 1.491 31.966 30.300 0.292 0.000 1.228 361 R HN 0.422 nan 8.270 nan 0.000 0.469 362 N N 0.807 119.582 118.700 0.125 0.000 2.422 362 N HA 0.032 4.772 4.740 0.001 0.000 0.266 362 N C 0.363 175.813 175.510 -0.101 0.000 1.007 362 N CA 0.018 52.950 53.050 -0.197 0.000 0.941 362 N CB 1.900 40.282 38.487 -0.175 0.000 1.115 362 N HN 0.765 nan 8.380 nan 0.000 0.492 363 T N 1.187 115.676 114.554 -0.107 0.000 3.055 363 T HA -0.024 4.326 4.350 0.001 0.000 0.265 363 T C 1.616 176.282 174.700 -0.055 0.000 1.111 363 T CA 0.693 62.767 62.100 -0.043 0.000 1.118 363 T CB 0.217 69.079 68.868 -0.009 0.000 0.909 363 T HN 0.577 nan 8.240 nan 0.000 0.501 364 R N 1.225 121.674 120.500 -0.084 0.000 2.105 364 R HA 0.024 4.365 4.340 0.001 0.000 0.214 364 R C 2.392 178.658 176.300 -0.057 0.000 1.091 364 R CA 1.505 57.568 56.100 -0.062 0.000 1.007 364 R CB -0.170 30.092 30.300 -0.063 0.000 0.912 364 R HN 0.540 nan 8.270 nan 0.000 0.450 365 T N -2.977 111.534 114.554 -0.071 0.000 3.014 365 T HA 0.152 4.502 4.350 0.001 0.000 0.250 365 T C 0.259 174.925 174.700 -0.056 0.000 1.060 365 T CA 0.356 62.416 62.100 -0.066 0.000 1.040 365 T CB 0.328 69.143 68.868 -0.089 0.000 0.971 365 T HN 0.237 nan 8.240 nan 0.000 0.497 366 D N 0.679 121.048 120.400 -0.051 0.000 2.946 366 D HA -0.109 4.532 4.640 0.001 0.000 0.202 366 D C -0.827 175.441 176.300 -0.053 0.000 1.068 366 D CA 1.055 55.039 54.000 -0.026 0.000 1.011 366 D CB -1.648 39.146 40.800 -0.010 0.000 1.105 366 D HN 0.477 nan 8.370 nan 0.000 0.425 367 D N 0.362 120.674 120.400 -0.147 0.000 2.493 367 D HA 0.147 4.787 4.640 0.001 0.000 0.240 367 D C 0.925 176.958 176.300 -0.446 0.000 1.142 367 D CA 0.422 54.197 54.000 -0.374 0.000 0.872 367 D CB 0.477 40.823 40.800 -0.756 0.000 1.173 367 D HN 0.294 nan 8.370 nan 0.000 0.467 368 I N 3.258 123.611 120.570 -0.361 0.000 2.328 368 I HA 0.090 4.261 4.170 0.001 0.000 0.287 368 I C 0.671 176.568 176.117 -0.367 0.000 1.012 368 I CA -0.547 60.637 61.300 -0.194 0.000 1.195 368 I CB 0.734 38.729 38.000 -0.008 0.000 1.350 368 I HN 0.273 nan 8.210 nan 0.000 0.464 369 F N 5.100 125.002 119.950 -0.080 0.000 2.446 369 F HA 0.256 4.784 4.527 0.001 0.000 0.292 369 F C 0.352 175.709 175.800 -0.739 0.000 1.096 369 F CA 0.337 58.123 58.000 -0.357 0.000 1.438 369 F CB 0.142 38.939 39.000 -0.338 0.000 1.107 369 F HN 0.174 nan 8.300 nan 0.000 0.546 370 F N -1.213 118.734 119.950 -0.005 0.000 2.591 370 F HA 0.614 5.142 4.527 0.001 0.000 0.309 370 F C -0.771 174.782 175.800 -0.412 0.000 1.098 370 F CA -1.564 56.288 58.000 -0.248 0.000 0.937 370 F CB 1.805 40.815 39.000 0.016 0.000 1.250 370 F HN -0.587 nan 8.300 nan 0.000 0.447 371 V N 1.383 120.899 119.914 -0.662 0.000 2.686 371 V HA 0.880 5.000 4.120 0.001 0.000 0.306 371 V C -0.329 175.318 176.094 -0.745 0.000 1.065 371 V CA -0.754 61.035 62.300 -0.852 0.000 0.894 371 V CB 1.944 33.198 31.823 -0.948 0.000 1.004 371 V HN 0.957 nan 8.190 nan 0.000 0.424 372 G N 2.558 110.767 108.800 -0.985 0.000 2.591 372 G HA2 0.659 4.620 3.960 0.001 0.000 0.306 372 G HA3 0.659 4.620 3.960 0.001 0.000 0.306 372 G C -1.455 173.166 174.900 -0.466 0.000 1.334 372 G CA -0.496 44.217 45.100 -0.646 0.000 0.981 372 G HN 0.611 nan 8.290 nan 0.000 0.491 373 Q N 1.413 121.107 119.800 -0.176 0.000 2.327 373 Q HA 0.518 4.859 4.340 0.001 0.000 0.270 373 Q C -1.360 174.529 176.000 -0.185 0.000 1.022 373 Q CA -0.578 55.122 55.803 -0.172 0.000 0.773 373 Q CB 2.113 30.804 28.738 -0.078 0.000 1.251 373 Q HN 0.322 nan 8.270 nan 0.000 0.457 374 V N 5.296 124.946 119.914 -0.440 0.000 2.318 374 V HA 0.210 4.330 4.120 0.001 0.000 0.271 374 V C 0.208 176.205 176.094 -0.161 0.000 1.030 374 V CA -0.417 61.602 62.300 -0.468 0.000 0.844 374 V CB 1.031 32.226 31.823 -1.047 0.000 1.015 374 V HN 0.800 nan 8.190 nan 0.000 0.460 375 N N 2.727 121.418 118.700 -0.014 0.000 2.463 375 N HA 0.110 4.851 4.740 0.001 0.000 0.183 375 N C 0.515 176.159 175.510 0.223 0.000 1.064 375 N CA 0.313 53.438 53.050 0.125 0.000 0.879 375 N CB 0.595 39.128 38.487 0.077 0.000 1.148 375 N HN 0.402 nan 8.380 nan 0.000 0.451 376 K N 1.228 121.693 120.400 0.109 0.000 2.637 376 K HA 0.371 4.692 4.320 0.001 0.000 0.248 376 K C -1.263 175.318 176.600 -0.032 0.000 0.971 376 K CA -0.135 56.212 56.287 0.100 0.000 0.858 376 K CB 0.991 33.530 32.500 0.064 0.000 1.170 376 K HN -0.041 nan 8.250 nan 0.000 0.443 377 L N 0.000 121.183 121.223 -0.067 0.000 2.949 377 L HA 0.000 4.341 4.340 0.001 0.000 0.249 377 L CA 0.000 54.737 54.840 -0.171 0.000 0.813 377 L CB 0.000 41.776 42.059 -0.471 0.000 0.961 377 L HN 0.000 nan 8.230 nan 0.000 0.502