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 1r4m_1_D DATA FIRST_RESID 12 DATA SEQUENCE DWEGRWNHVK KFLERSGPFT HPDFEPSTES LQFLLDTCKV LVIGAGGLGC DATA SEQUENCE ELLKNLALSG FRQIHVIDMD TIDVSNLNRQ FLFRPKDIGR PKAEVAAEFL DATA SEQUENCE NDRVPNCNVV PHFNKIQDFN DTFYRQFHII VCGLDSIIAR RWINGMLISL DATA SEQUENCE LNYEDGVLDP SSIVPLIDGG TEGFKGNARV ILPGMTACIE CTLELYPPQV DATA SEQUENCE NFPMATIASM PRLPEHCIEY VRMLQWPKEQ PFGEGVPLDG DDPEHIQWIF DATA SEQUENCE QKSLERASQY NIRGVTYRLT QGVVKRIIPA VASTNAVIAA VCATEVFKIA DATA SEQUENCE TSAYIPLNNY LVFNDVDGLY TYTFEAERKE NCPACSQLPQ NIQFSPSAKL DATA SEQUENCE QEVLDYLTNS ASLQMKSPAI TATXXXXNRT LYLQSXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXVT SIEERTRXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXKE LGLVDXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXGQ EXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXAV ADVTTPQTVL DATA SEQUENCE FKLHFT 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 12 D HA 0.000 nan 4.640 nan 0.000 0.175 12 D C 0.000 176.349 176.300 0.081 0.000 2.045 12 D CA 0.000 54.013 54.000 0.022 0.000 0.868 12 D CB 0.000 40.876 40.800 0.127 0.000 0.688 13 W N 1.106 122.389 121.300 -0.028 0.000 2.950 13 W HA 0.746 5.406 4.660 -0.001 0.000 0.340 13 W C -0.530 175.957 176.519 -0.054 0.000 1.139 13 W CA -0.878 56.443 57.345 -0.039 0.000 1.188 13 W CB 0.436 29.861 29.460 -0.059 0.000 1.426 13 W HN -0.323 nan 8.180 nan 0.000 0.531 14 E N 1.595 121.941 120.200 0.243 0.000 2.729 14 E HA 0.207 4.557 4.350 -0.001 0.000 0.246 14 E C 1.149 177.824 176.600 0.125 0.000 0.984 14 E CA 2.450 58.931 56.400 0.134 0.000 0.951 14 E CB 0.282 30.056 29.700 0.122 0.000 0.914 14 E HN 1.020 nan 8.360 nan 0.000 0.509 15 G N 4.526 113.312 108.800 -0.023 0.000 2.284 15 G HA2 -0.427 3.533 3.960 -0.001 0.000 0.230 15 G HA3 -0.427 3.533 3.960 -0.001 0.000 0.230 15 G C 1.272 176.036 174.900 -0.228 0.000 1.021 15 G CA 0.544 45.605 45.100 -0.065 0.000 0.619 15 G HN 0.571 nan 8.290 nan 0.000 0.510 16 R N -0.027 120.155 120.500 -0.529 0.000 2.191 16 R HA -0.212 4.128 4.340 -0.001 0.000 0.248 16 R C 1.740 177.553 176.300 -0.813 0.000 1.127 16 R CA 2.766 58.245 56.100 -1.034 0.000 0.943 16 R CB -0.464 28.582 30.300 -2.091 0.000 0.891 16 R HN 0.622 nan 8.270 nan 0.000 0.439 17 W N 0.176 121.325 121.300 -0.252 0.000 3.269 17 W HA 0.240 4.900 4.660 -0.001 0.000 0.413 17 W C 1.124 177.602 176.519 -0.069 0.000 1.057 17 W CA -0.881 56.390 57.345 -0.123 0.000 1.953 17 W CB 0.087 29.493 29.460 -0.090 0.000 1.053 17 W HN 0.249 nan 8.180 nan 0.000 0.753 18 N N 0.224 118.915 118.700 -0.015 0.000 2.149 18 N HA -0.196 4.544 4.740 -0.001 0.000 0.188 18 N C 1.067 176.613 175.510 0.061 0.000 1.019 18 N CA 1.407 54.435 53.050 -0.036 0.000 0.857 18 N CB -0.367 38.009 38.487 -0.185 0.000 0.997 18 N HN 0.389 nan 8.380 nan 0.000 0.426 19 H N -1.521 117.643 119.070 0.158 0.000 2.567 19 H HA 0.075 4.630 4.556 -0.001 0.000 0.276 19 H C 1.036 176.544 175.328 0.300 0.000 1.016 19 H CA 0.151 56.316 56.048 0.195 0.000 1.186 19 H CB 0.523 30.369 29.762 0.139 0.000 1.351 19 H HN 0.048 nan 8.280 nan 0.000 0.605 20 V N -0.469 119.688 119.914 0.404 0.000 2.996 20 V HA -0.079 4.041 4.120 -0.001 0.000 0.235 20 V C 1.881 178.231 176.094 0.427 0.000 1.205 20 V CA 0.301 62.851 62.300 0.417 0.000 1.225 20 V CB 0.176 32.203 31.823 0.341 0.000 0.995 20 V HN 0.179 nan 8.190 nan 0.000 0.484 21 K N 0.979 121.553 120.400 0.290 0.000 2.144 21 K HA -0.294 4.026 4.320 -0.001 0.000 0.209 21 K C 2.055 178.758 176.600 0.171 0.000 1.047 21 K CA 1.902 58.311 56.287 0.204 0.000 0.927 21 K CB -0.273 32.311 32.500 0.140 0.000 0.716 21 K HN 0.374 nan 8.250 nan 0.000 0.454 22 K N -0.179 120.283 120.400 0.103 0.000 2.211 22 K HA -0.131 4.189 4.320 -0.001 0.000 0.204 22 K C 1.693 178.189 176.600 -0.172 0.000 1.047 22 K CA 1.400 57.629 56.287 -0.097 0.000 0.935 22 K CB -0.097 32.244 32.500 -0.265 0.000 0.728 22 K HN 0.113 nan 8.250 nan 0.000 0.452 23 F N -0.330 119.740 119.950 0.200 0.000 2.754 23 F HA 0.109 4.636 4.527 -0.001 0.000 0.297 23 F C 1.493 177.470 175.800 0.295 0.000 1.122 23 F CA 0.390 58.527 58.000 0.227 0.000 1.400 23 F CB 0.207 39.412 39.000 0.341 0.000 1.117 23 F HN -0.113 nan 8.300 nan 0.000 0.587 24 L N -1.037 120.457 121.223 0.451 0.000 2.575 24 L HA 0.141 4.480 4.340 -0.001 0.000 0.228 24 L C 1.622 178.665 176.870 0.288 0.000 1.075 24 L CA 0.488 55.575 54.840 0.413 0.000 0.867 24 L CB -0.107 42.106 42.059 0.257 0.000 1.097 24 L HN 0.052 nan 8.230 nan 0.000 0.485 25 E N 0.567 120.892 120.200 0.208 0.000 2.340 25 E HA 0.101 4.451 4.350 -0.001 0.000 0.194 25 E C 0.200 176.880 176.600 0.133 0.000 0.996 25 E CA 0.096 56.569 56.400 0.121 0.000 0.869 25 E CB 0.554 30.298 29.700 0.073 0.000 0.835 25 E HN 0.390 nan 8.360 nan 0.000 0.493 26 R N 1.073 121.668 120.500 0.159 0.000 2.664 26 R HA 0.344 4.683 4.340 -0.001 0.000 0.286 26 R C -0.067 176.332 176.300 0.165 0.000 0.967 26 R CA -0.440 55.726 56.100 0.110 0.000 0.933 26 R CB 1.769 32.075 30.300 0.010 0.000 1.146 26 R HN -0.043 nan 8.270 nan 0.000 0.468 27 S N 0.085 115.870 115.700 0.142 0.000 2.686 27 S HA 0.821 5.291 4.470 -0.001 0.000 0.270 27 S C 0.301 174.865 174.600 -0.060 0.000 1.194 27 S CA -0.524 57.741 58.200 0.108 0.000 0.990 27 S CB 1.736 65.023 63.200 0.145 0.000 1.029 27 S HN 0.781 nan 8.310 nan 0.000 0.560 28 G N -0.899 107.824 108.800 -0.128 0.000 2.623 28 G HA2 0.549 4.509 3.960 -0.001 0.000 0.290 28 G HA3 0.549 4.509 3.960 -0.001 0.000 0.290 28 G C -2.902 171.919 174.900 -0.132 0.000 1.437 28 G CA -1.094 43.943 45.100 -0.104 0.000 0.798 28 G HN 0.450 nan 8.290 nan 0.000 0.488 29 P HA 0.105 nan 4.420 nan 0.000 0.221 29 P C 0.666 177.622 177.300 -0.573 0.000 1.150 29 P CA 0.911 63.749 63.100 -0.436 0.000 0.800 29 P CB 0.053 31.353 31.700 -0.667 0.000 0.787 30 F N -2.463 117.481 119.950 -0.011 0.000 2.639 30 F HA 0.227 4.753 4.527 -0.001 0.000 0.302 30 F C 1.144 176.901 175.800 -0.070 0.000 1.097 30 F CA -0.388 57.634 58.000 0.037 0.000 1.294 30 F CB -0.844 38.278 39.000 0.202 0.000 1.027 30 F HN -0.285 nan 8.300 nan 0.000 0.550 31 T N 0.210 114.691 114.554 -0.121 0.000 2.928 31 T HA -0.049 4.301 4.350 -0.001 0.000 0.305 31 T C -0.001 174.659 174.700 -0.066 0.000 1.035 31 T CA -0.017 61.902 62.100 -0.302 0.000 1.145 31 T CB 0.012 68.608 68.868 -0.454 0.000 0.963 31 T HN 0.394 nan 8.240 nan 0.000 0.545 32 H N 5.452 124.481 119.070 -0.068 0.000 2.972 32 H HA 0.167 4.723 4.556 -0.001 0.000 0.343 32 H C -1.674 173.697 175.328 0.071 0.000 1.054 32 H CA -0.734 55.337 56.048 0.039 0.000 1.412 32 H CB 0.712 30.516 29.762 0.070 0.000 1.385 32 H HN 0.433 nan 8.280 nan 0.000 0.600 33 P HA -0.228 nan 4.420 nan 0.000 0.217 33 P C 0.721 177.978 177.300 -0.071 0.000 1.162 33 P CA 1.962 64.873 63.100 -0.315 0.000 0.901 33 P CB 0.195 31.655 31.700 -0.400 0.000 0.793 34 D N -1.871 118.560 120.400 0.053 0.000 2.392 34 D HA -0.083 4.557 4.640 -0.001 0.000 0.228 34 D C 0.516 176.926 176.300 0.183 0.000 1.003 34 D CA 0.318 54.428 54.000 0.183 0.000 0.917 34 D CB -0.574 40.386 40.800 0.266 0.000 0.890 34 D HN 0.200 nan 8.370 nan 0.000 0.532 35 F N 2.155 122.159 119.950 0.089 0.000 2.538 35 F HA 0.043 4.569 4.527 -0.001 0.000 0.371 35 F C 0.476 176.268 175.800 -0.014 0.000 1.087 35 F CA 0.132 58.150 58.000 0.029 0.000 1.250 35 F CB 0.610 39.621 39.000 0.019 0.000 1.110 35 F HN -0.311 nan 8.300 nan 0.000 0.570 36 E N 7.965 127.680 120.200 -0.809 0.000 2.235 36 E HA 0.228 4.578 4.350 -0.001 0.000 0.252 36 E C -2.520 173.526 176.600 -0.924 0.000 0.886 36 E CA -2.114 53.930 56.400 -0.594 0.000 0.767 36 E CB 1.308 30.799 29.700 -0.348 0.000 1.205 36 E HN 0.363 nan 8.360 nan 0.000 0.421 37 P HA 0.021 nan 4.420 nan 0.000 0.267 37 P C -0.301 176.871 177.300 -0.214 0.000 1.209 37 P CA 0.187 63.115 63.100 -0.286 0.000 0.763 37 P CB 0.915 32.672 31.700 0.095 0.000 0.816 38 S N 1.429 117.023 115.700 -0.177 0.000 2.556 38 S HA 0.329 4.799 4.470 -0.001 0.000 0.271 38 S C 0.725 175.288 174.600 -0.062 0.000 1.135 38 S CA -0.343 57.780 58.200 -0.127 0.000 0.858 38 S CB 1.594 64.684 63.200 -0.184 0.000 1.114 38 S HN 0.430 nan 8.310 nan 0.000 0.468 39 T N 1.106 115.631 114.554 -0.048 0.000 3.067 39 T HA 0.178 4.527 4.350 -0.001 0.000 0.257 39 T C 1.171 175.855 174.700 -0.027 0.000 1.105 39 T CA 1.303 63.391 62.100 -0.020 0.000 1.104 39 T CB -0.249 68.611 68.868 -0.014 0.000 0.925 39 T HN 0.685 nan 8.240 nan 0.000 0.498 40 E N -0.164 120.004 120.200 -0.054 0.000 2.340 40 E HA 0.015 4.365 4.350 -0.001 0.000 0.194 40 E C 2.095 178.668 176.600 -0.044 0.000 0.996 40 E CA 0.344 56.713 56.400 -0.051 0.000 0.869 40 E CB 0.104 29.754 29.700 -0.082 0.000 0.835 40 E HN 0.423 nan 8.360 nan 0.000 0.493 41 S N 1.460 117.115 115.700 -0.074 0.000 2.380 41 S HA -0.252 4.218 4.470 -0.001 0.000 0.229 41 S C 1.850 176.432 174.600 -0.030 0.000 1.050 41 S CA 1.535 59.696 58.200 -0.064 0.000 1.100 41 S CB -0.553 62.592 63.200 -0.093 0.000 0.984 41 S HN 0.336 nan 8.310 nan 0.000 0.434 42 L N 1.875 123.068 121.223 -0.049 0.000 1.997 42 L HA -0.219 4.121 4.340 -0.001 0.000 0.216 42 L C 2.355 179.125 176.870 -0.166 0.000 1.074 42 L CA 2.217 56.985 54.840 -0.120 0.000 0.763 42 L CB -1.146 40.851 42.059 -0.103 0.000 0.890 42 L HN 0.227 nan 8.230 nan 0.000 0.434 43 Q N -1.194 118.554 119.800 -0.087 0.000 2.096 43 Q HA -0.249 4.090 4.340 -0.001 0.000 0.204 43 Q C 2.092 178.068 176.000 -0.040 0.000 0.982 43 Q CA 2.142 57.903 55.803 -0.070 0.000 0.850 43 Q CB -0.690 28.043 28.738 -0.009 0.000 0.901 43 Q HN 0.568 nan 8.270 nan 0.000 0.422 44 F N -0.175 119.688 119.950 -0.145 0.000 2.095 44 F HA -0.212 4.315 4.527 -0.001 0.000 0.298 44 F C 1.817 177.514 175.800 -0.171 0.000 1.104 44 F CA 1.405 59.322 58.000 -0.138 0.000 1.232 44 F CB -0.626 38.291 39.000 -0.138 0.000 0.987 44 F HN 0.273 nan 8.300 nan 0.000 0.475 45 L N 0.161 121.294 121.223 -0.150 0.000 1.989 45 L HA -0.221 4.118 4.340 -0.001 0.000 0.211 45 L C 2.222 178.874 176.870 -0.365 0.000 1.071 45 L CA 1.872 56.515 54.840 -0.329 0.000 0.749 45 L CB -1.002 40.799 42.059 -0.430 0.000 0.890 45 L HN 0.208 nan 8.230 nan 0.000 0.431 46 L N -0.569 120.449 121.223 -0.341 0.000 2.042 46 L HA -0.238 4.102 4.340 -0.001 0.000 0.210 46 L C 2.172 178.935 176.870 -0.178 0.000 1.076 46 L CA 1.572 56.244 54.840 -0.280 0.000 0.749 46 L CB -0.733 41.153 42.059 -0.288 0.000 0.893 46 L HN 0.360 nan 8.230 nan 0.000 0.432 47 D N -1.620 118.662 120.400 -0.197 0.000 2.183 47 D HA -0.090 4.549 4.640 -0.001 0.000 0.205 47 D C 2.143 178.317 176.300 -0.211 0.000 0.962 47 D CA 1.874 55.772 54.000 -0.170 0.000 0.849 47 D CB 0.021 40.729 40.800 -0.154 0.000 0.978 47 D HN 0.393 nan 8.370 nan 0.000 0.488 48 T N -2.677 111.658 114.554 -0.364 0.000 2.969 48 T HA 0.065 4.415 4.350 -0.001 0.000 0.250 48 T C 1.115 175.745 174.700 -0.117 0.000 1.021 48 T CA -0.346 61.550 62.100 -0.340 0.000 1.003 48 T CB -0.473 67.966 68.868 -0.714 0.000 1.040 48 T HN 0.054 nan 8.240 nan 0.000 0.492 49 C N 3.734 122.973 119.300 -0.103 0.000 2.619 49 C HA 0.424 4.884 4.460 -0.001 0.000 0.389 49 C C 0.443 175.622 174.990 0.314 0.000 1.314 49 C CA -0.737 58.398 59.018 0.196 0.000 1.678 49 C CB -1.611 26.171 27.740 0.069 0.000 2.398 49 C HN 0.436 nan 8.230 nan 0.000 0.582 50 K N 4.915 125.504 120.400 0.315 0.000 2.262 50 K HA 0.518 4.837 4.320 -0.001 0.000 0.282 50 K C -0.794 175.965 176.600 0.265 0.000 1.066 50 K CA -0.237 56.121 56.287 0.119 0.000 0.901 50 K CB 0.993 33.328 32.500 -0.276 0.000 1.089 50 K HN 0.586 nan 8.250 nan 0.000 0.476 51 V N 5.198 125.301 119.914 0.315 0.000 2.495 51 V HA 0.328 4.448 4.120 -0.001 0.000 0.298 51 V C -0.779 175.348 176.094 0.056 0.000 1.031 51 V CA -1.065 61.334 62.300 0.166 0.000 0.871 51 V CB 1.641 33.451 31.823 -0.021 0.000 0.988 51 V HN 0.553 nan 8.190 nan 0.000 0.432 52 L N 6.318 127.367 121.223 -0.290 0.000 2.296 52 L HA 0.687 5.027 4.340 -0.001 0.000 0.286 52 L C -0.551 176.153 176.870 -0.277 0.000 1.023 52 L CA 0.060 54.546 54.840 -0.591 0.000 0.812 52 L CB 1.690 42.828 42.059 -1.534 0.000 1.223 52 L HN 0.425 nan 8.230 nan 0.000 0.421 53 V N 7.019 126.848 119.914 -0.141 0.000 2.370 53 V HA 0.408 4.528 4.120 -0.001 0.000 0.279 53 V C 0.229 176.301 176.094 -0.036 0.000 1.029 53 V CA -0.349 61.904 62.300 -0.078 0.000 0.870 53 V CB 1.331 33.129 31.823 -0.042 0.000 0.984 53 V HN 0.607 nan 8.190 nan 0.000 0.451 54 I N 5.157 125.712 120.570 -0.026 0.000 2.307 54 I HA 0.701 4.870 4.170 -0.001 0.000 0.289 54 I C 0.717 176.849 176.117 0.025 0.000 1.021 54 I CA 0.051 61.364 61.300 0.022 0.000 1.224 54 I CB 1.026 39.049 38.000 0.039 0.000 1.376 54 I HN 0.857 nan 8.210 nan 0.000 0.470 55 G N 4.686 113.513 108.800 0.045 0.000 2.640 55 G HA2 0.234 4.194 3.960 -0.001 0.000 0.686 55 G HA3 0.234 4.194 3.960 -0.001 0.000 0.686 55 G C -0.815 174.108 174.900 0.039 0.000 1.229 55 G CA -0.355 44.769 45.100 0.040 0.000 0.796 55 G HN 0.956 nan 8.290 nan 0.000 0.654 56 A N 0.519 123.374 122.820 0.057 0.000 3.453 56 A HA 0.852 5.172 4.320 -0.001 0.000 0.262 56 A C 0.522 178.173 177.584 0.111 0.000 1.026 56 A CA 0.697 52.776 52.037 0.071 0.000 0.938 56 A CB 0.317 19.392 19.000 0.124 0.000 1.246 56 A HN 2.492 nan 8.150 nan 0.000 0.546 57 G N -0.485 108.338 108.800 0.037 0.000 4.220 57 G HA2 0.596 4.556 3.960 -0.001 0.000 0.256 57 G HA3 0.596 4.556 3.960 -0.001 0.000 0.256 57 G C 0.537 175.428 174.900 -0.014 0.000 1.520 57 G CA 0.811 45.938 45.100 0.047 0.000 0.608 57 G HN 1.864 nan 8.290 nan 0.000 0.415 58 G N 0.483 109.240 108.800 -0.071 0.000 2.780 58 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.237 58 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.237 58 G C 1.308 176.194 174.900 -0.024 0.000 1.965 58 G CA 0.143 45.223 45.100 -0.032 0.000 1.577 58 G HN 0.655 nan 8.290 nan 0.000 0.543 59 L N 1.996 123.204 121.223 -0.024 0.000 2.046 59 L HA 0.083 4.423 4.340 -0.001 0.000 0.208 59 L C 3.230 180.079 176.870 -0.036 0.000 1.077 59 L CA 2.115 56.937 54.840 -0.030 0.000 0.747 59 L CB -0.926 41.114 42.059 -0.031 0.000 0.896 59 L HN 0.620 nan 8.230 nan 0.000 0.432 60 G N -0.481 108.295 108.800 -0.039 0.000 2.545 60 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.217 60 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.217 60 G C 1.641 176.485 174.900 -0.092 0.000 1.218 60 G CA 1.093 46.164 45.100 -0.047 0.000 0.787 60 G HN 0.420 nan 8.290 nan 0.000 0.571 61 C N 0.070 119.260 119.300 -0.184 0.000 2.393 61 C HA -0.040 4.420 4.460 -0.001 0.000 0.276 61 C C 2.745 177.650 174.990 -0.143 0.000 1.215 61 C CA 1.232 60.024 59.018 -0.376 0.000 1.743 61 C CB -0.920 26.334 27.740 -0.810 0.000 2.044 61 C HN 0.610 nan 8.230 nan 0.000 0.464 62 E N 0.735 120.973 120.200 0.063 0.000 2.058 62 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 62 E C 2.008 178.643 176.600 0.058 0.000 0.997 62 E CA 1.234 57.740 56.400 0.176 0.000 0.801 62 E CB -0.469 29.284 29.700 0.088 0.000 0.746 62 E HN 0.583 nan 8.360 nan 0.000 0.450 63 L N -0.223 120.997 121.223 -0.006 0.000 2.012 63 L HA -0.234 4.106 4.340 -0.001 0.000 0.210 63 L C 2.525 179.381 176.870 -0.023 0.000 1.073 63 L CA 1.139 55.959 54.840 -0.034 0.000 0.748 63 L CB -0.462 41.563 42.059 -0.056 0.000 0.891 63 L HN 0.239 nan 8.230 nan 0.000 0.431 64 L N -0.162 121.047 121.223 -0.023 0.000 1.990 64 L HA -0.315 4.025 4.340 -0.001 0.000 0.213 64 L C 2.764 179.662 176.870 0.046 0.000 1.072 64 L CA 1.743 56.580 54.840 -0.005 0.000 0.755 64 L CB -0.536 41.501 42.059 -0.037 0.000 0.889 64 L HN 0.299 nan 8.230 nan 0.000 0.432 65 K N 0.019 120.464 120.400 0.076 0.000 2.032 65 K HA -0.217 4.103 4.320 -0.001 0.000 0.209 65 K C 1.939 178.604 176.600 0.108 0.000 1.048 65 K CA 1.866 58.231 56.287 0.130 0.000 0.927 65 K CB -0.059 32.570 32.500 0.215 0.000 0.712 65 K HN 0.286 nan 8.250 nan 0.000 0.441 66 N N 1.119 119.858 118.700 0.066 0.000 2.069 66 N HA -0.182 4.558 4.740 -0.001 0.000 0.191 66 N C 1.969 177.531 175.510 0.087 0.000 1.031 66 N CA 1.393 54.470 53.050 0.046 0.000 0.852 66 N CB -0.414 38.069 38.487 -0.006 0.000 1.018 66 N HN 0.224 nan 8.380 nan 0.000 0.423 67 L N 0.673 121.928 121.223 0.053 0.000 2.056 67 L HA -0.078 4.262 4.340 -0.001 0.000 0.207 67 L C 2.477 179.521 176.870 0.289 0.000 1.078 67 L CA 1.102 55.986 54.840 0.074 0.000 0.749 67 L CB -0.556 41.403 42.059 -0.167 0.000 0.901 67 L HN 0.111 nan 8.230 nan 0.000 0.433 68 A N 0.210 123.164 122.820 0.223 0.000 1.908 68 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 68 A C 2.065 179.874 177.584 0.375 0.000 1.181 68 A CA 1.542 53.746 52.037 0.279 0.000 0.627 68 A CB -0.755 18.377 19.000 0.220 0.000 0.818 68 A HN 0.418 nan 8.150 nan 0.000 0.445 69 L N -0.296 121.120 121.223 0.321 0.000 2.612 69 L HA 0.089 4.428 4.340 -0.001 0.000 0.230 69 L C 1.301 178.428 176.870 0.428 0.000 1.140 69 L CA 0.269 55.330 54.840 0.368 0.000 0.896 69 L CB 0.086 42.272 42.059 0.211 0.000 1.065 69 L HN 0.245 nan 8.230 nan 0.000 0.447 70 S N -0.477 115.456 115.700 0.389 0.000 2.559 70 S HA 0.305 4.775 4.470 -0.001 0.000 0.226 70 S C 1.258 175.987 174.600 0.215 0.000 1.000 70 S CA 0.566 58.951 58.200 0.307 0.000 0.948 70 S CB 1.083 64.486 63.200 0.338 0.000 0.870 70 S HN 0.567 nan 8.310 nan 0.000 0.497 71 G N 1.126 109.914 108.800 -0.020 0.000 2.148 71 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.157 71 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.157 71 G C -0.283 174.308 174.900 -0.515 0.000 1.012 71 G CA -0.762 43.977 45.100 -0.601 0.000 0.677 71 G HN 0.340 nan 8.290 nan 0.000 0.506 72 F N 0.293 120.200 119.950 -0.072 0.000 2.443 72 F HA 0.742 5.269 4.527 -0.001 0.000 0.335 72 F C 1.428 177.234 175.800 0.010 0.000 1.104 72 F CA -0.938 57.050 58.000 -0.019 0.000 1.013 72 F CB 1.571 40.598 39.000 0.045 0.000 1.136 72 F HN -0.130 nan 8.300 nan 0.000 0.470 73 R N 0.053 120.647 120.500 0.156 0.000 2.320 73 R HA 0.114 4.453 4.340 -0.001 0.000 0.193 73 R C -0.053 176.326 176.300 0.131 0.000 0.885 73 R CA 0.173 56.346 56.100 0.122 0.000 1.085 73 R CB 0.197 30.528 30.300 0.051 0.000 1.253 73 R HN 0.475 nan 8.270 nan 0.000 0.636 74 Q N 1.927 121.813 119.800 0.145 0.000 2.837 74 Q HA 0.300 4.640 4.340 -0.001 0.000 0.235 74 Q C -0.253 175.901 176.000 0.257 0.000 1.348 74 Q CA 0.453 56.355 55.803 0.165 0.000 0.990 74 Q CB -0.245 28.575 28.738 0.136 0.000 1.570 74 Q HN 0.307 nan 8.270 nan 0.000 0.575 75 I N 1.618 122.306 120.570 0.198 0.000 2.404 75 I HA 0.328 4.497 4.170 -0.001 0.000 0.293 75 I C 0.315 176.533 176.117 0.169 0.000 0.992 75 I CA -0.696 60.728 61.300 0.206 0.000 1.149 75 I CB 1.374 39.445 38.000 0.119 0.000 1.315 75 I HN 0.318 nan 8.210 nan 0.000 0.446 76 H N 4.695 123.851 119.070 0.144 0.000 2.621 76 H HA 0.678 5.234 4.556 -0.001 0.000 0.360 76 H C -1.096 174.288 175.328 0.094 0.000 1.163 76 H CA -0.862 55.299 56.048 0.187 0.000 1.194 76 H CB 2.989 32.988 29.762 0.394 0.000 1.649 76 H HN 0.214 nan 8.280 nan 0.000 0.532 77 V N 4.088 124.150 119.914 0.246 0.000 2.623 77 V HA 0.306 4.425 4.120 -0.001 0.000 0.304 77 V C -0.140 176.094 176.094 0.232 0.000 1.054 77 V CA -0.601 61.795 62.300 0.159 0.000 0.882 77 V CB 2.089 33.964 31.823 0.087 0.000 1.002 77 V HN 0.546 nan 8.190 nan 0.000 0.424 78 I N 3.733 124.416 120.570 0.189 0.000 2.493 78 I HA 0.686 4.856 4.170 -0.001 0.000 0.298 78 I C -0.810 175.411 176.117 0.172 0.000 0.998 78 I CA -0.179 61.257 61.300 0.226 0.000 1.137 78 I CB 1.904 40.017 38.000 0.188 0.000 1.310 78 I HN 0.624 nan 8.210 nan 0.000 0.445 79 D N 5.878 126.398 120.400 0.200 0.000 2.530 79 D HA 0.128 4.768 4.640 -0.001 0.000 0.193 79 D C -0.174 176.272 176.300 0.244 0.000 1.243 79 D CA -0.406 53.691 54.000 0.162 0.000 0.803 79 D CB 1.317 42.189 40.800 0.120 0.000 1.955 79 D HN 0.623 nan 8.370 nan 0.000 0.529 80 M N 0.157 119.865 119.600 0.179 0.000 2.561 80 M HA 0.284 4.764 4.480 -0.001 0.000 0.238 80 M C -0.136 176.338 176.300 0.291 0.000 1.131 80 M CA 0.175 55.592 55.300 0.194 0.000 1.046 80 M CB 0.234 32.839 32.600 0.007 0.000 1.532 80 M HN -0.064 nan 8.290 nan 0.000 0.497 81 D N 1.715 122.219 120.400 0.175 0.000 2.387 81 D HA 0.311 4.950 4.640 -0.001 0.000 0.251 81 D C -0.464 175.834 176.300 -0.004 0.000 1.141 81 D CA 0.104 54.155 54.000 0.085 0.000 0.987 81 D CB 1.430 42.242 40.800 0.020 0.000 1.116 81 D HN -0.014 nan 8.370 nan 0.000 0.491 82 T N 0.442 114.959 114.554 -0.061 0.000 2.829 82 T HA 0.409 4.758 4.350 -0.001 0.000 0.280 82 T C 0.457 175.036 174.700 -0.203 0.000 0.999 82 T CA -0.591 61.412 62.100 -0.163 0.000 0.983 82 T CB 0.835 69.649 68.868 -0.090 0.000 0.968 82 T HN 0.137 nan 8.240 nan 0.000 0.446 83 I N 3.660 124.034 120.570 -0.327 0.000 2.752 83 I HA 0.079 4.248 4.170 -0.001 0.000 0.289 83 I C 0.659 176.684 176.117 -0.153 0.000 1.197 83 I CA 0.414 61.515 61.300 -0.332 0.000 1.432 83 I CB 0.251 37.963 38.000 -0.480 0.000 1.359 83 I HN 0.535 nan 8.210 nan 0.000 0.571 84 D N 5.027 125.379 120.400 -0.079 0.000 2.433 84 D HA 0.117 4.757 4.640 -0.001 0.000 0.236 84 D C 0.567 176.869 176.300 0.003 0.000 1.026 84 D CA -0.619 53.361 54.000 -0.033 0.000 0.884 84 D CB 2.558 43.343 40.800 -0.024 0.000 1.384 84 D HN 0.304 nan 8.370 nan 0.000 0.477 85 V N 3.014 122.933 119.914 0.007 0.000 2.469 85 V HA -0.196 3.923 4.120 -0.001 0.000 0.251 85 V C 1.784 177.899 176.094 0.035 0.000 1.064 85 V CA 2.843 65.158 62.300 0.025 0.000 1.066 85 V CB -0.452 31.384 31.823 0.021 0.000 0.667 85 V HN 0.641 nan 8.190 nan 0.000 0.461 86 S N -0.562 115.155 115.700 0.027 0.000 2.840 86 S HA 0.108 4.577 4.470 -0.001 0.000 0.235 86 S C 0.952 175.574 174.600 0.037 0.000 0.968 86 S CA 0.334 58.550 58.200 0.027 0.000 1.026 86 S CB -0.544 62.664 63.200 0.015 0.000 0.788 86 S HN 0.709 nan 8.310 nan 0.000 0.487 87 N N 1.145 119.883 118.700 0.063 0.000 2.397 87 N HA 0.293 5.032 4.740 -0.001 0.000 0.190 87 N C 1.269 176.833 175.510 0.090 0.000 1.099 87 N CA 0.217 53.324 53.050 0.094 0.000 0.876 87 N CB -0.303 38.294 38.487 0.184 0.000 1.143 87 N HN 0.365 nan 8.380 nan 0.000 0.468 88 L N 1.820 123.097 121.223 0.091 0.000 2.551 88 L HA -0.071 4.268 4.340 -0.001 0.000 0.230 88 L C 1.642 178.543 176.870 0.052 0.000 1.163 88 L CA 0.771 55.657 54.840 0.078 0.000 0.826 88 L CB -0.578 41.529 42.059 0.080 0.000 0.943 88 L HN 0.265 nan 8.230 nan 0.000 0.452 89 N N 1.226 119.950 118.700 0.041 0.000 2.412 89 N HA -0.115 4.624 4.740 -0.001 0.000 0.184 89 N C 1.513 177.041 175.510 0.030 0.000 1.101 89 N CA 0.596 53.665 53.050 0.032 0.000 0.881 89 N CB 0.276 38.777 38.487 0.024 0.000 0.969 89 N HN 0.553 nan 8.380 nan 0.000 0.459 90 R N -1.165 119.353 120.500 0.031 0.000 2.769 90 R HA 0.184 4.524 4.340 -0.001 0.000 0.191 90 R C 0.021 176.350 176.300 0.050 0.000 0.881 90 R CA -0.290 55.832 56.100 0.038 0.000 1.133 90 R CB -0.211 30.098 30.300 0.016 0.000 1.607 90 R HN -0.026 nan 8.270 nan 0.000 0.613 91 Q N 2.583 122.354 119.800 -0.049 0.000 2.837 91 Q HA 0.119 4.459 4.340 -0.001 0.000 0.235 91 Q C -0.189 175.519 176.000 -0.487 0.000 1.348 91 Q CA -0.295 55.321 55.803 -0.311 0.000 0.990 91 Q CB -0.012 28.555 28.738 -0.285 0.000 1.570 91 Q HN 0.442 nan 8.270 nan 0.000 0.575 92 F N -1.191 118.531 119.950 -0.379 0.000 2.664 92 F HA -0.049 4.477 4.527 -0.001 0.000 0.297 92 F C 0.533 176.014 175.800 -0.532 0.000 1.164 92 F CA 0.531 58.322 58.000 -0.349 0.000 1.472 92 F CB -0.141 38.698 39.000 -0.268 0.000 1.108 92 F HN 0.287 nan 8.300 nan 0.000 0.596 93 L N -0.530 119.909 121.223 -1.307 0.000 2.607 93 L HA 0.269 4.608 4.340 -0.001 0.000 0.228 93 L C -0.250 176.395 176.870 -0.374 0.000 1.123 93 L CA -0.084 54.032 54.840 -1.206 0.000 0.890 93 L CB -0.257 41.052 42.059 -1.250 0.000 1.103 93 L HN 0.079 nan 8.230 nan 0.000 0.468 94 F N -0.115 119.746 119.950 -0.148 0.000 2.508 94 F HA 0.571 5.097 4.527 -0.001 0.000 0.325 94 F C 0.498 176.313 175.800 0.025 0.000 1.090 94 F CA -1.277 56.705 58.000 -0.030 0.000 0.945 94 F CB 1.401 40.364 39.000 -0.063 0.000 1.156 94 F HN -0.197 nan 8.300 nan 0.000 0.463 95 R N 1.885 122.534 120.500 0.248 0.000 2.902 95 R HA 0.380 4.719 4.340 -0.001 0.000 0.258 95 R C -2.018 174.348 176.300 0.110 0.000 1.071 95 R CA -2.437 53.757 56.100 0.157 0.000 1.024 95 R CB 0.792 31.176 30.300 0.140 0.000 1.184 95 R HN 0.217 nan 8.270 nan 0.000 0.492 96 P HA -0.189 nan 4.420 nan 0.000 0.218 96 P C 0.895 178.214 177.300 0.032 0.000 1.148 96 P CA 1.671 64.801 63.100 0.049 0.000 0.822 96 P CB 0.219 31.943 31.700 0.041 0.000 0.784 97 K N -0.463 119.958 120.400 0.035 0.000 2.147 97 K HA -0.153 4.166 4.320 -0.001 0.000 0.205 97 K C 1.068 177.672 176.600 0.005 0.000 1.049 97 K CA 1.722 58.020 56.287 0.019 0.000 0.936 97 K CB -0.740 31.773 32.500 0.022 0.000 0.722 97 K HN 0.065 nan 8.250 nan 0.000 0.446 98 D N 1.131 121.541 120.400 0.016 0.000 2.355 98 D HA 0.077 4.717 4.640 -0.001 0.000 0.218 98 D C 0.659 176.912 176.300 -0.079 0.000 1.004 98 D CA 0.237 54.223 54.000 -0.024 0.000 0.880 98 D CB -0.032 40.774 40.800 0.011 0.000 0.911 98 D HN 0.280 nan 8.370 nan 0.000 0.528 99 I N 0.607 121.147 120.570 -0.049 0.000 2.826 99 I HA -0.052 4.118 4.170 -0.001 0.000 0.295 99 I C 1.784 177.850 176.117 -0.085 0.000 1.213 99 I CA 1.022 62.281 61.300 -0.069 0.000 1.436 99 I CB 0.490 38.471 38.000 -0.031 0.000 1.348 99 I HN 0.193 nan 8.210 nan 0.000 0.570 100 G N 5.380 114.112 108.800 -0.113 0.000 2.279 100 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.223 100 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.223 100 G C 0.456 175.269 174.900 -0.145 0.000 1.015 100 G CA -0.418 44.620 45.100 -0.104 0.000 0.621 100 G HN 0.584 nan 8.290 nan 0.000 0.506 101 R N 1.169 121.557 120.500 -0.187 0.000 2.649 101 R HA 0.475 4.814 4.340 -0.001 0.000 0.270 101 R C -2.662 173.417 176.300 -0.368 0.000 1.105 101 R CA -1.542 54.412 56.100 -0.242 0.000 1.193 101 R CB 0.147 30.322 30.300 -0.209 0.000 1.120 101 R HN 0.119 nan 8.270 nan 0.000 0.561 102 P HA 0.074 nan 4.420 nan 0.000 0.276 102 P C -0.304 176.696 177.300 -0.501 0.000 1.243 102 P CA -0.009 62.671 63.100 -0.701 0.000 0.768 102 P CB 0.772 31.793 31.700 -1.132 0.000 0.856 103 K N 3.008 123.138 120.400 -0.450 0.000 2.020 103 K HA -0.220 4.100 4.320 -0.001 0.000 0.212 103 K C 1.947 178.474 176.600 -0.121 0.000 1.050 103 K CA 2.070 58.112 56.287 -0.409 0.000 0.929 103 K CB -0.702 31.667 32.500 -0.218 0.000 0.714 103 K HN 0.448 nan 8.250 nan 0.000 0.443 104 A N 1.601 124.380 122.820 -0.068 0.000 1.948 104 A HA -0.278 4.042 4.320 -0.001 0.000 0.220 104 A C 2.116 179.686 177.584 -0.024 0.000 1.177 104 A CA 1.944 53.988 52.037 0.012 0.000 0.636 104 A CB -0.540 18.504 19.000 0.073 0.000 0.815 104 A HN 0.492 nan 8.150 nan 0.000 0.449 105 E N -0.194 119.939 120.200 -0.112 0.000 2.007 105 E HA -0.151 4.199 4.350 -0.001 0.000 0.194 105 E C 1.909 178.489 176.600 -0.034 0.000 0.999 105 E CA 1.761 58.104 56.400 -0.095 0.000 0.811 105 E CB -0.226 29.372 29.700 -0.170 0.000 0.762 105 E HN 0.283 nan 8.360 nan 0.000 0.450 106 V N 1.645 121.530 119.914 -0.048 0.000 2.324 106 V HA -0.317 3.802 4.120 -0.001 0.000 0.250 106 V C 2.534 178.750 176.094 0.202 0.000 1.060 106 V CA 1.928 64.268 62.300 0.066 0.000 1.042 106 V CB -1.072 30.768 31.823 0.028 0.000 0.650 106 V HN 0.489 nan 8.190 nan 0.000 0.450 107 A N 0.163 123.123 122.820 0.232 0.000 1.865 107 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 107 A C 2.453 180.101 177.584 0.107 0.000 1.191 107 A CA 2.444 54.583 52.037 0.170 0.000 0.623 107 A CB -0.922 18.158 19.000 0.135 0.000 0.826 107 A HN 0.601 nan 8.150 nan 0.000 0.444 108 A N -0.643 122.222 122.820 0.075 0.000 1.898 108 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 108 A C 2.030 179.663 177.584 0.081 0.000 1.181 108 A CA 1.790 53.860 52.037 0.055 0.000 0.620 108 A CB -0.615 18.389 19.000 0.006 0.000 0.819 108 A HN 0.686 nan 8.150 nan 0.000 0.442 109 E N -0.980 119.267 120.200 0.078 0.000 2.048 109 E HA -0.261 4.088 4.350 -0.001 0.000 0.202 109 E C 1.832 178.498 176.600 0.111 0.000 1.021 109 E CA 1.740 58.182 56.400 0.070 0.000 0.825 109 E CB -0.323 29.411 29.700 0.056 0.000 0.756 109 E HN 0.628 nan 8.360 nan 0.000 0.454 110 F N 0.787 120.746 119.950 0.015 0.000 2.026 110 F HA -0.227 4.299 4.527 -0.001 0.000 0.296 110 F C 2.394 178.206 175.800 0.020 0.000 1.133 110 F CA 1.486 59.494 58.000 0.014 0.000 1.188 110 F CB -0.235 38.760 39.000 -0.008 0.000 0.968 110 F HN 0.061 nan 8.300 nan 0.000 0.476 111 L N 0.583 122.060 121.223 0.424 0.000 2.042 111 L HA -0.318 4.022 4.340 -0.001 0.000 0.210 111 L C 2.086 179.074 176.870 0.197 0.000 1.076 111 L CA 1.501 56.515 54.840 0.290 0.000 0.749 111 L CB -0.638 41.511 42.059 0.150 0.000 0.893 111 L HN 0.223 nan 8.230 nan 0.000 0.432 112 N N -0.480 118.301 118.700 0.136 0.000 2.443 112 N HA -0.209 4.531 4.740 -0.001 0.000 0.184 112 N C 1.336 176.894 175.510 0.081 0.000 1.037 112 N CA 1.311 54.419 53.050 0.096 0.000 0.896 112 N CB -0.211 38.313 38.487 0.061 0.000 0.959 112 N HN 0.508 nan 8.380 nan 0.000 0.442 113 D N 0.618 121.055 120.400 0.061 0.000 2.269 113 D HA -0.050 4.589 4.640 -0.001 0.000 0.220 113 D C 1.906 178.223 176.300 0.028 0.000 0.962 113 D CA 0.376 54.380 54.000 0.005 0.000 0.884 113 D CB 0.333 41.079 40.800 -0.090 0.000 1.023 113 D HN -0.052 nan 8.370 nan 0.000 0.484 114 R N 0.388 120.929 120.500 0.069 0.000 2.081 114 R HA -0.003 4.337 4.340 -0.001 0.000 0.235 114 R C 0.377 176.775 176.300 0.163 0.000 1.131 114 R CA 0.833 57.012 56.100 0.132 0.000 0.960 114 R CB -0.266 30.231 30.300 0.328 0.000 0.856 114 R HN 0.016 nan 8.270 nan 0.000 0.436 115 V N 2.347 122.372 119.914 0.185 0.000 2.277 115 V HA 0.220 4.340 4.120 -0.001 0.000 0.269 115 V C -1.730 174.479 176.094 0.192 0.000 1.036 115 V CA -1.651 60.769 62.300 0.200 0.000 0.821 115 V CB 1.241 33.194 31.823 0.217 0.000 1.052 115 V HN 0.195 nan 8.190 nan 0.000 0.462 116 P HA -0.290 nan 4.420 nan 0.000 0.223 116 P C 0.806 178.209 177.300 0.170 0.000 0.913 116 P CA 2.006 65.230 63.100 0.207 0.000 1.058 116 P CB 0.051 31.957 31.700 0.343 0.000 0.714 117 N N -2.840 115.972 118.700 0.188 0.000 2.275 117 N HA 0.076 4.816 4.740 -0.001 0.000 0.236 117 N C -0.053 175.543 175.510 0.144 0.000 1.154 117 N CA -0.156 52.986 53.050 0.153 0.000 0.866 117 N CB -0.363 38.217 38.487 0.155 0.000 1.093 117 N HN 0.182 nan 8.380 nan 0.000 0.515 118 C N 1.271 120.665 119.300 0.157 0.000 2.702 118 C HA 0.073 4.533 4.460 -0.001 0.000 0.411 118 C C 1.233 176.281 174.990 0.096 0.000 1.286 118 C CA 0.291 59.396 59.018 0.144 0.000 1.979 118 C CB -0.501 27.332 27.740 0.155 0.000 2.728 118 C HN 0.439 nan 8.230 nan 0.000 0.652 119 N N 2.483 121.230 118.700 0.078 0.000 2.679 119 N HA 0.268 5.008 4.740 -0.001 0.000 0.302 119 N C -0.998 174.511 175.510 -0.002 0.000 1.941 119 N CA -0.282 52.789 53.050 0.035 0.000 0.875 119 N CB 0.510 39.016 38.487 0.032 0.000 1.278 119 N HN 0.419 nan 8.380 nan 0.000 0.490 120 V N 1.117 121.034 119.914 0.005 0.000 2.508 120 V HA 0.210 4.330 4.120 -0.001 0.000 0.281 120 V C 0.294 176.320 176.094 -0.113 0.000 1.041 120 V CA -0.420 61.862 62.300 -0.030 0.000 1.016 120 V CB 1.099 32.931 31.823 0.016 0.000 0.984 120 V HN 0.081 nan 8.190 nan 0.000 0.478 121 V N 8.592 128.356 119.914 -0.251 0.000 2.370 121 V HA 0.386 4.505 4.120 -0.001 0.000 0.283 121 V C -1.940 173.963 176.094 -0.320 0.000 1.023 121 V CA -1.532 60.555 62.300 -0.354 0.000 0.857 121 V CB 1.854 33.283 31.823 -0.656 0.000 0.985 121 V HN 0.764 nan 8.190 nan 0.000 0.443 122 P HA 0.382 nan 4.420 nan 0.000 0.284 122 P C -1.136 175.970 177.300 -0.323 0.000 1.258 122 P CA -0.395 62.601 63.100 -0.172 0.000 0.824 122 P CB 1.176 32.833 31.700 -0.072 0.000 1.038 123 H N 2.131 121.305 119.070 0.174 0.000 3.036 123 H HA 0.157 4.713 4.556 -0.001 0.000 0.295 123 H C -0.847 174.645 175.328 0.272 0.000 1.124 123 H CA -0.446 55.742 56.048 0.232 0.000 1.507 123 H CB 0.378 30.294 29.762 0.256 0.000 1.591 123 H HN 0.317 nan 8.280 nan 0.000 0.510 124 F N 4.783 124.815 119.950 0.137 0.000 2.678 124 F HA 0.195 4.722 4.527 -0.001 0.000 0.358 124 F C -0.493 175.337 175.800 0.049 0.000 1.256 124 F CA -0.462 57.576 58.000 0.063 0.000 1.278 124 F CB -0.689 38.319 39.000 0.013 0.000 1.681 124 F HN 0.384 nan 8.300 nan 0.000 0.661 125 N N 2.638 121.422 118.700 0.140 0.000 3.157 125 N HA 0.354 5.093 4.740 -0.001 0.000 0.291 125 N C -1.357 174.152 175.510 -0.002 0.000 1.515 125 N CA -0.838 52.173 53.050 -0.064 0.000 0.807 125 N CB 2.038 40.481 38.487 -0.074 0.000 1.672 125 N HN 0.260 nan 8.380 nan 0.000 0.592 126 K N -0.028 120.314 120.400 -0.097 0.000 2.207 126 K HA 0.447 4.766 4.320 -0.001 0.000 0.255 126 K C 1.365 177.932 176.600 -0.055 0.000 0.941 126 K CA -0.692 55.545 56.287 -0.083 0.000 0.825 126 K CB 1.789 34.187 32.500 -0.169 0.000 1.119 126 K HN 0.611 nan 8.250 nan 0.000 0.430 127 I N -1.354 119.204 120.570 -0.020 0.000 2.300 127 I HA -0.367 3.803 4.170 -0.001 0.000 0.252 127 I C 1.196 177.173 176.117 -0.232 0.000 1.119 127 I CA 1.264 62.606 61.300 0.070 0.000 1.384 127 I CB -0.522 37.506 38.000 0.048 0.000 1.062 127 I HN 0.591 nan 8.210 nan 0.000 0.426 128 Q N 1.207 120.594 119.800 -0.688 0.000 2.500 128 Q HA -0.115 4.225 4.340 -0.001 0.000 0.213 128 Q C 1.513 177.329 176.000 -0.306 0.000 0.974 128 Q CA 1.163 56.465 55.803 -0.835 0.000 0.918 128 Q CB -0.352 27.919 28.738 -0.778 0.000 0.980 128 Q HN 0.587 nan 8.270 nan 0.000 0.505 129 D N -0.727 119.486 120.400 -0.311 0.000 2.269 129 D HA -0.039 4.601 4.640 -0.001 0.000 0.208 129 D C -0.162 175.852 176.300 -0.478 0.000 0.963 129 D CA 0.644 54.373 54.000 -0.452 0.000 0.864 129 D CB 0.170 40.539 40.800 -0.717 0.000 0.936 129 D HN 0.155 nan 8.370 nan 0.000 0.505 130 F N 0.654 120.578 119.950 -0.043 0.000 2.411 130 F HA 0.324 4.850 4.527 -0.001 0.000 0.324 130 F C 0.858 176.869 175.800 0.352 0.000 1.086 130 F CA -1.158 56.849 58.000 0.012 0.000 1.028 130 F CB 0.750 39.577 39.000 -0.288 0.000 1.284 130 F HN -0.220 nan 8.300 nan 0.000 0.501 131 N N -1.869 117.158 118.700 0.545 0.000 2.571 131 N HA 0.218 4.958 4.740 -0.001 0.000 0.273 131 N C -0.076 175.727 175.510 0.489 0.000 1.340 131 N CA -0.725 52.618 53.050 0.489 0.000 0.789 131 N CB 0.576 39.231 38.487 0.279 0.000 1.514 131 N HN 0.523 nan 8.380 nan 0.000 0.499 132 D N -0.268 120.345 120.400 0.355 0.000 2.370 132 D HA -0.361 4.278 4.640 -0.001 0.000 0.190 132 D C 1.046 177.482 176.300 0.226 0.000 1.019 132 D CA 2.782 56.942 54.000 0.266 0.000 0.869 132 D CB -1.453 39.427 40.800 0.134 0.000 0.944 132 D HN 0.658 nan 8.370 nan 0.000 0.456 133 T N 0.456 115.115 114.554 0.176 0.000 2.620 133 T HA -0.252 4.097 4.350 -0.001 0.000 0.267 133 T C 1.589 176.348 174.700 0.099 0.000 1.044 133 T CA 1.847 64.018 62.100 0.117 0.000 1.161 133 T CB -0.720 68.220 68.868 0.120 0.000 0.862 133 T HN 0.258 nan 8.240 nan 0.000 0.438 134 F N 0.713 120.660 119.950 -0.005 0.000 2.113 134 F HA -0.047 4.480 4.527 -0.001 0.000 0.297 134 F C 1.971 177.652 175.800 -0.198 0.000 1.103 134 F CA 0.920 58.817 58.000 -0.172 0.000 1.248 134 F CB -0.564 38.273 39.000 -0.273 0.000 0.999 134 F HN 0.215 nan 8.300 nan 0.000 0.475 135 Y N 0.071 120.373 120.300 0.003 0.000 2.373 135 Y HA -0.039 4.511 4.550 -0.001 0.000 0.293 135 Y C 2.459 178.329 175.900 -0.050 0.000 1.129 135 Y CA 0.983 59.066 58.100 -0.029 0.000 1.226 135 Y CB -0.520 37.986 38.460 0.078 0.000 1.000 135 Y HN -0.060 nan 8.280 nan 0.000 0.549 136 R N 0.350 120.871 120.500 0.036 0.000 2.127 136 R HA -0.213 4.127 4.340 -0.001 0.000 0.238 136 R C 2.049 178.234 176.300 -0.192 0.000 1.134 136 R CA 1.558 57.634 56.100 -0.040 0.000 0.975 136 R CB -0.372 29.905 30.300 -0.038 0.000 0.865 136 R HN 0.534 nan 8.270 nan 0.000 0.447 137 Q N -0.120 119.434 119.800 -0.410 0.000 2.173 137 Q HA -0.167 4.173 4.340 -0.001 0.000 0.208 137 Q C 0.071 175.549 176.000 -0.870 0.000 0.989 137 Q CA 1.151 56.513 55.803 -0.734 0.000 0.872 137 Q CB -0.237 27.776 28.738 -1.208 0.000 0.909 137 Q HN 0.204 nan 8.270 nan 0.000 0.420 138 F N -0.723 118.971 119.950 -0.427 0.000 2.371 138 F HA 0.115 4.641 4.527 -0.001 0.000 0.329 138 F C 1.527 177.158 175.800 -0.282 0.000 1.107 138 F CA -0.521 57.239 58.000 -0.400 0.000 1.137 138 F CB 0.508 39.322 39.000 -0.310 0.000 1.214 138 F HN -0.036 nan 8.300 nan 0.000 0.536 139 H N 1.379 120.512 119.070 0.105 0.000 2.431 139 H HA 0.363 4.919 4.556 -0.001 0.000 0.295 139 H C 0.237 175.600 175.328 0.057 0.000 1.038 139 H CA 0.994 57.074 56.048 0.054 0.000 1.360 139 H CB 0.421 30.212 29.762 0.047 0.000 1.433 139 H HN 0.304 nan 8.280 nan 0.000 0.536 140 I N 0.539 121.219 120.570 0.184 0.000 2.802 140 I HA 0.302 4.472 4.170 -0.001 0.000 0.298 140 I C -0.935 175.181 176.117 -0.001 0.000 1.176 140 I CA -0.676 60.668 61.300 0.074 0.000 1.025 140 I CB 3.401 41.431 38.000 0.051 0.000 1.243 140 I HN -0.196 nan 8.210 nan 0.000 0.424 141 I N 4.868 125.411 120.570 -0.046 0.000 2.447 141 I HA 0.438 4.608 4.170 -0.001 0.000 0.287 141 I C -0.935 175.127 176.117 -0.091 0.000 1.023 141 I CA -0.853 60.385 61.300 -0.104 0.000 1.083 141 I CB 2.140 40.088 38.000 -0.086 0.000 1.245 141 I HN 0.126 nan 8.210 nan 0.000 0.434 142 V N 4.959 124.809 119.914 -0.108 0.000 2.459 142 V HA 0.426 4.546 4.120 -0.001 0.000 0.295 142 V C -0.170 175.883 176.094 -0.070 0.000 1.029 142 V CA -0.553 61.693 62.300 -0.091 0.000 0.874 142 V CB 1.710 33.468 31.823 -0.110 0.000 0.985 142 V HN 0.788 nan 8.190 nan 0.000 0.438 143 C N 2.968 122.236 119.300 -0.053 0.000 2.391 143 C HA 0.868 5.327 4.460 -0.001 0.000 0.339 143 C C 1.007 175.980 174.990 -0.029 0.000 1.205 143 C CA -0.231 58.769 59.018 -0.030 0.000 1.937 143 C CB 1.161 28.894 27.740 -0.012 0.000 2.341 143 C HN 1.131 nan 8.230 nan 0.000 0.516 144 G N 2.215 111.006 108.800 -0.015 0.000 4.831 144 G HA2 0.403 4.363 3.960 -0.001 0.000 0.231 144 G HA3 0.403 4.363 3.960 -0.001 0.000 0.231 144 G C -0.339 174.561 174.900 0.000 0.000 1.006 144 G CA -0.151 44.941 45.100 -0.014 0.000 0.792 144 G HN 0.611 nan 8.290 nan 0.000 0.546 145 L N 0.177 121.404 121.223 0.006 0.000 2.482 145 L HA 0.379 4.718 4.340 -0.001 0.000 0.242 145 L C 1.030 177.901 176.870 0.002 0.000 1.210 145 L CA -0.427 54.418 54.840 0.009 0.000 0.819 145 L CB 0.816 42.884 42.059 0.015 0.000 1.203 145 L HN 0.351 nan 8.230 nan 0.000 0.495 146 D N -2.120 118.275 120.400 -0.008 0.000 2.556 146 D HA 0.081 4.720 4.640 -0.001 0.000 0.237 146 D C -0.134 176.142 176.300 -0.040 0.000 1.296 146 D CA -0.044 53.945 54.000 -0.017 0.000 0.807 146 D CB 0.353 41.145 40.800 -0.013 0.000 1.084 146 D HN 0.398 nan 8.370 nan 0.000 0.510 147 S N -1.060 114.608 115.700 -0.053 0.000 2.618 147 S HA 0.546 5.016 4.470 -0.001 0.000 0.277 147 S C 0.773 175.294 174.600 -0.132 0.000 1.138 147 S CA -0.851 57.296 58.200 -0.089 0.000 0.844 147 S CB 1.220 64.379 63.200 -0.069 0.000 1.127 147 S HN -0.063 nan 8.310 nan 0.000 0.474 148 I N 1.037 121.480 120.570 -0.211 0.000 2.277 148 I HA -0.072 4.097 4.170 -0.001 0.000 0.243 148 I C 2.059 178.106 176.117 -0.117 0.000 1.094 148 I CA 0.824 61.948 61.300 -0.293 0.000 1.393 148 I CB -0.461 37.271 38.000 -0.447 0.000 1.078 148 I HN 0.663 nan 8.210 nan 0.000 0.417 149 I N 1.488 122.014 120.570 -0.074 0.000 2.113 149 I HA -0.356 3.814 4.170 -0.001 0.000 0.242 149 I C 2.898 179.050 176.117 0.057 0.000 1.064 149 I CA 1.749 63.047 61.300 -0.003 0.000 1.320 149 I CB -0.871 37.124 38.000 -0.008 0.000 1.028 149 I HN 0.195 nan 8.210 nan 0.000 0.406 150 A N 1.035 123.872 122.820 0.028 0.000 1.908 150 A HA -0.208 4.112 4.320 -0.001 0.000 0.218 150 A C 2.455 180.107 177.584 0.114 0.000 1.181 150 A CA 1.664 53.743 52.037 0.069 0.000 0.627 150 A CB -0.636 18.373 19.000 0.015 0.000 0.818 150 A HN 0.368 nan 8.150 nan 0.000 0.445 151 R N -0.781 119.756 120.500 0.061 0.000 2.096 151 R HA -0.089 4.251 4.340 -0.001 0.000 0.235 151 R C 2.455 178.805 176.300 0.083 0.000 1.127 151 R CA 1.466 57.609 56.100 0.070 0.000 0.968 151 R CB -0.297 30.046 30.300 0.071 0.000 0.861 151 R HN 0.516 nan 8.270 nan 0.000 0.440 152 R N -0.645 119.904 120.500 0.081 0.000 2.075 152 R HA -0.177 4.163 4.340 -0.001 0.000 0.232 152 R C 1.966 178.309 176.300 0.072 0.000 1.126 152 R CA 1.558 57.699 56.100 0.069 0.000 0.963 152 R CB -0.341 29.993 30.300 0.057 0.000 0.858 152 R HN 0.328 nan 8.270 nan 0.000 0.435 153 W N 1.217 122.496 121.300 -0.036 0.000 2.354 153 W HA -0.139 4.520 4.660 -0.001 0.000 0.315 153 W C 1.962 178.436 176.519 -0.075 0.000 1.206 153 W CA 0.948 58.267 57.345 -0.044 0.000 1.290 153 W CB -0.157 29.283 29.460 -0.034 0.000 1.152 153 W HN -0.063 nan 8.180 nan 0.000 0.489 154 I N 1.570 122.307 120.570 0.277 0.000 2.493 154 I HA -0.271 3.899 4.170 -0.001 0.000 0.254 154 I C 1.849 177.884 176.117 -0.137 0.000 1.160 154 I CA 1.900 63.239 61.300 0.064 0.000 1.445 154 I CB -1.311 36.749 38.000 0.099 0.000 1.086 154 I HN 0.175 nan 8.210 nan 0.000 0.433 155 N N 0.842 119.494 118.700 -0.080 0.000 2.084 155 N HA -0.126 4.614 4.740 -0.001 0.000 0.190 155 N C 1.982 177.400 175.510 -0.153 0.000 1.030 155 N CA 1.892 54.890 53.050 -0.086 0.000 0.849 155 N CB -0.472 37.998 38.487 -0.027 0.000 1.012 155 N HN 0.311 nan 8.380 nan 0.000 0.423 156 G N 0.183 108.847 108.800 -0.226 0.000 2.402 156 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.216 156 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.216 156 G C 1.490 176.190 174.900 -0.333 0.000 1.162 156 G CA 1.061 46.001 45.100 -0.266 0.000 0.777 156 G HN 0.358 nan 8.290 nan 0.000 0.539 157 M N 0.516 119.803 119.600 -0.522 0.000 2.082 157 M HA 0.035 4.514 4.480 -0.001 0.000 0.258 157 M C 2.303 178.429 176.300 -0.290 0.000 1.069 157 M CA 1.403 56.395 55.300 -0.513 0.000 1.102 157 M CB -0.529 31.618 32.600 -0.754 0.000 1.336 157 M HN 0.152 nan 8.290 nan 0.000 0.404 158 L N -0.909 120.165 121.223 -0.247 0.000 2.275 158 L HA -0.160 4.179 4.340 -0.001 0.000 0.215 158 L C 2.262 179.071 176.870 -0.102 0.000 1.119 158 L CA 0.833 55.586 54.840 -0.144 0.000 0.790 158 L CB -0.567 41.422 42.059 -0.116 0.000 0.919 158 L HN 0.393 nan 8.230 nan 0.000 0.443 159 I N -0.748 119.757 120.570 -0.108 0.000 2.480 159 I HA -0.205 3.964 4.170 -0.001 0.000 0.251 159 I C 2.608 178.694 176.117 -0.051 0.000 1.124 159 I CA 1.125 62.387 61.300 -0.064 0.000 1.444 159 I CB -0.075 37.895 38.000 -0.049 0.000 1.098 159 I HN 0.274 nan 8.210 nan 0.000 0.428 160 S N 0.993 116.645 115.700 -0.080 0.000 2.500 160 S HA -0.065 4.405 4.470 -0.001 0.000 0.239 160 S C 1.782 176.362 174.600 -0.034 0.000 0.989 160 S CA 0.753 58.921 58.200 -0.054 0.000 0.951 160 S CB -0.606 62.542 63.200 -0.086 0.000 0.759 160 S HN 0.435 nan 8.310 nan 0.000 0.523 161 L N 0.324 121.520 121.223 -0.045 0.000 2.418 161 L HA 0.289 4.629 4.340 -0.001 0.000 0.218 161 L C 0.754 177.592 176.870 -0.054 0.000 1.125 161 L CA 0.002 54.823 54.840 -0.032 0.000 0.835 161 L CB -0.433 41.612 42.059 -0.024 0.000 0.953 161 L HN 0.277 nan 8.230 nan 0.000 0.454 162 L N 1.079 122.255 121.223 -0.079 0.000 2.514 162 L HA -0.051 4.289 4.340 -0.001 0.000 0.280 162 L C 0.178 176.946 176.870 -0.169 0.000 1.223 162 L CA 0.277 55.013 54.840 -0.173 0.000 0.864 162 L CB 0.054 41.974 42.059 -0.231 0.000 1.118 162 L HN 0.138 nan 8.230 nan 0.000 0.494 163 N N 1.946 120.497 118.700 -0.249 0.000 2.491 163 N HA 0.277 5.017 4.740 -0.001 0.000 0.274 163 N C -1.567 173.822 175.510 -0.201 0.000 1.023 163 N CA -0.449 52.519 53.050 -0.138 0.000 0.902 163 N CB 0.726 39.171 38.487 -0.071 0.000 1.267 163 N HN 0.232 nan 8.380 nan 0.000 0.503 164 Y N 1.443 121.744 120.300 0.001 0.000 2.385 164 Y HA 0.268 4.818 4.550 -0.001 0.000 0.341 164 Y C 0.254 176.156 175.900 0.003 0.000 0.965 164 Y CA -0.673 57.428 58.100 0.002 0.000 1.180 164 Y CB 1.147 39.609 38.460 0.002 0.000 1.139 164 Y HN 0.325 nan 8.280 nan 0.000 0.502 165 E N 4.762 125.039 120.200 0.129 0.000 1.802 165 E HA 0.014 4.364 4.350 -0.001 0.000 0.265 165 E C -0.680 175.969 176.600 0.082 0.000 1.168 165 E CA 0.121 56.569 56.400 0.080 0.000 1.033 165 E CB -0.264 29.463 29.700 0.045 0.000 1.095 165 E HN 0.674 nan 8.360 nan 0.000 0.436 166 D N 2.230 122.677 120.400 0.079 0.000 3.187 166 D HA -0.188 4.452 4.640 -0.001 0.000 0.244 166 D C 1.058 177.392 176.300 0.055 0.000 1.114 166 D CA 1.088 55.119 54.000 0.051 0.000 0.920 166 D CB -0.993 39.828 40.800 0.035 0.000 0.970 166 D HN 0.792 nan 8.370 nan 0.000 0.418 167 G N -0.906 107.925 108.800 0.052 0.000 2.451 167 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.253 167 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.253 167 G C 0.565 175.538 174.900 0.122 0.000 1.033 167 G CA 0.527 45.638 45.100 0.019 0.000 0.633 167 G HN 0.743 nan 8.290 nan 0.000 0.537 168 V N 2.509 122.511 119.914 0.147 0.000 2.389 168 V HA 0.526 4.646 4.120 -0.001 0.000 0.264 168 V C 0.734 176.948 176.094 0.199 0.000 1.049 168 V CA -0.466 61.927 62.300 0.156 0.000 0.932 168 V CB 1.258 33.130 31.823 0.082 0.000 1.011 168 V HN 0.528 nan 8.190 nan 0.000 0.475 169 L N 5.029 126.395 121.223 0.238 0.000 2.513 169 L HA 0.228 4.567 4.340 -0.001 0.000 0.272 169 L C 0.288 177.104 176.870 -0.091 0.000 1.187 169 L CA 0.366 55.169 54.840 -0.062 0.000 0.895 169 L CB 0.401 42.363 42.059 -0.161 0.000 1.147 169 L HN 0.746 nan 8.230 nan 0.000 0.483 170 D N 7.636 127.950 120.400 -0.142 0.000 2.339 170 D HA 0.173 4.813 4.640 -0.001 0.000 0.256 170 D C -1.657 174.582 176.300 -0.102 0.000 1.214 170 D CA -1.947 52.002 54.000 -0.086 0.000 0.877 170 D CB 1.244 42.001 40.800 -0.071 0.000 1.111 170 D HN 0.431 nan 8.370 nan 0.000 0.478 171 P HA -0.191 nan 4.420 nan 0.000 0.216 171 P C 0.990 178.263 177.300 -0.046 0.000 1.150 171 P CA 1.029 64.100 63.100 -0.050 0.000 0.837 171 P CB -0.059 31.627 31.700 -0.024 0.000 0.786 172 S N -0.300 115.378 115.700 -0.037 0.000 2.595 172 S HA -0.035 4.434 4.470 -0.001 0.000 0.235 172 S C 1.761 176.342 174.600 -0.031 0.000 0.974 172 S CA 0.889 59.074 58.200 -0.025 0.000 0.942 172 S CB -1.303 61.888 63.200 -0.016 0.000 0.766 172 S HN 0.333 nan 8.310 nan 0.000 0.536 173 S N 0.363 116.028 115.700 -0.059 0.000 2.540 173 S HA 0.380 4.850 4.470 -0.001 0.000 0.218 173 S C 0.297 174.854 174.600 -0.071 0.000 0.977 173 S CA -0.733 57.427 58.200 -0.067 0.000 0.918 173 S CB -0.532 62.606 63.200 -0.103 0.000 0.806 173 S HN 0.532 nan 8.310 nan 0.000 0.496 174 I N 2.449 122.982 120.570 -0.062 0.000 2.352 174 I HA 0.314 4.483 4.170 -0.001 0.000 0.290 174 I C -0.769 175.335 176.117 -0.022 0.000 1.036 174 I CA -0.748 60.520 61.300 -0.053 0.000 1.336 174 I CB 1.576 39.545 38.000 -0.051 0.000 1.407 174 I HN -0.024 nan 8.210 nan 0.000 0.497 175 V N 8.761 128.664 119.914 -0.018 0.000 2.311 175 V HA 0.253 4.373 4.120 -0.001 0.000 0.275 175 V C -2.130 173.961 176.094 -0.005 0.000 1.022 175 V CA -1.845 60.458 62.300 0.005 0.000 0.830 175 V CB 1.060 32.892 31.823 0.015 0.000 1.012 175 V HN 0.588 nan 8.190 nan 0.000 0.452 176 P HA 0.057 nan 4.420 nan 0.000 0.264 176 P C -0.772 176.516 177.300 -0.020 0.000 1.183 176 P CA 0.009 63.102 63.100 -0.012 0.000 0.763 176 P CB 0.428 32.124 31.700 -0.007 0.000 0.807 177 L N 5.360 126.564 121.223 -0.031 0.000 2.372 177 L HA 0.485 4.825 4.340 -0.001 0.000 0.273 177 L C -1.286 175.556 176.870 -0.047 0.000 0.989 177 L CA -0.447 54.369 54.840 -0.040 0.000 0.841 177 L CB 0.748 42.783 42.059 -0.040 0.000 1.225 177 L HN 0.105 nan 8.230 nan 0.000 0.414 178 I N 4.297 124.833 120.570 -0.057 0.000 2.321 178 I HA 0.407 4.577 4.170 -0.001 0.000 0.291 178 I C -0.295 175.779 176.117 -0.072 0.000 0.998 178 I CA -0.019 61.238 61.300 -0.071 0.000 1.227 178 I CB 1.472 39.425 38.000 -0.078 0.000 1.368 178 I HN 0.628 nan 8.210 nan 0.000 0.466 179 D N 4.287 124.639 120.400 -0.080 0.000 2.362 179 D HA 0.735 5.375 4.640 -0.001 0.000 0.247 179 D C -0.320 175.923 176.300 -0.096 0.000 1.050 179 D CA -0.449 53.511 54.000 -0.066 0.000 0.839 179 D CB 1.499 42.279 40.800 -0.033 0.000 1.283 179 D HN 0.649 nan 8.370 nan 0.000 0.477 180 G N 0.957 109.716 108.800 -0.068 0.000 2.481 180 G HA2 0.689 4.649 3.960 -0.001 0.000 0.315 180 G HA3 0.689 4.649 3.960 -0.001 0.000 0.315 180 G C -0.683 174.199 174.900 -0.030 0.000 1.231 180 G CA -0.804 44.249 45.100 -0.078 0.000 0.968 180 G HN 0.605 nan 8.290 nan 0.000 0.482 181 G N -1.005 107.781 108.800 -0.022 0.000 2.659 181 G HA2 0.645 4.605 3.960 -0.001 0.000 0.296 181 G HA3 0.645 4.605 3.960 -0.001 0.000 0.296 181 G C -1.301 173.619 174.900 0.033 0.000 1.369 181 G CA -0.356 44.765 45.100 0.035 0.000 0.937 181 G HN 0.684 nan 8.290 nan 0.000 0.485 182 T N -0.087 114.493 114.554 0.044 0.000 2.900 182 T HA 0.682 5.031 4.350 -0.001 0.000 0.303 182 T C -1.400 173.324 174.700 0.040 0.000 1.142 182 T CA -0.415 61.708 62.100 0.038 0.000 1.007 182 T CB 2.099 70.971 68.868 0.006 0.000 1.156 182 T HN 0.520 nan 8.240 nan 0.000 0.490 183 E N 1.243 121.465 120.200 0.037 0.000 2.558 183 E HA 0.438 4.788 4.350 -0.001 0.000 0.345 183 E C 0.297 176.887 176.600 -0.016 0.000 0.928 183 E CA 0.200 56.610 56.400 0.017 0.000 0.774 183 E CB 0.676 30.409 29.700 0.054 0.000 1.462 183 E HN 1.029 nan 8.360 nan 0.000 0.387 184 G N 2.465 111.197 108.800 -0.114 0.000 2.591 184 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.298 184 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.298 184 G C 0.269 174.963 174.900 -0.343 0.000 1.195 184 G CA 0.597 45.524 45.100 -0.288 0.000 0.989 184 G HN 0.485 nan 8.290 nan 0.000 0.551 185 F N 2.486 122.489 119.950 0.089 0.000 2.660 185 F HA 0.410 4.937 4.527 -0.001 0.000 0.302 185 F C 1.376 177.273 175.800 0.162 0.000 1.103 185 F CA 0.437 58.511 58.000 0.122 0.000 1.340 185 F CB 0.394 39.436 39.000 0.069 0.000 1.048 185 F HN 0.049 nan 8.300 nan 0.000 0.551 186 K N 0.004 120.558 120.400 0.256 0.000 2.208 186 K HA 0.792 5.112 4.320 -0.001 0.000 0.247 186 K C 0.004 176.752 176.600 0.247 0.000 0.953 186 K CA -0.753 55.685 56.287 0.253 0.000 0.837 186 K CB 2.051 34.659 32.500 0.180 0.000 1.131 186 K HN 0.115 nan 8.250 nan 0.000 0.431 187 G N 0.905 109.870 108.800 0.274 0.000 2.601 187 G HA2 0.323 4.283 3.960 -0.001 0.000 0.291 187 G HA3 0.323 4.283 3.960 -0.001 0.000 0.291 187 G C -1.981 173.000 174.900 0.136 0.000 1.456 187 G CA -0.729 44.473 45.100 0.170 0.000 0.804 187 G HN 0.688 nan 8.290 nan 0.000 0.499 188 N N -0.989 117.724 118.700 0.021 0.000 2.610 188 N HA 0.792 5.531 4.740 -0.001 0.000 0.264 188 N C -1.056 174.320 175.510 -0.222 0.000 1.348 188 N CA -0.356 52.631 53.050 -0.105 0.000 0.819 188 N CB 2.150 40.548 38.487 -0.149 0.000 1.521 188 N HN 1.432 nan 8.380 nan 0.000 0.497 189 A N 0.433 123.028 122.820 -0.374 0.000 2.520 189 A HA 0.796 5.115 4.320 -0.001 0.000 0.298 189 A C -0.915 176.378 177.584 -0.485 0.000 1.051 189 A CA -0.818 51.020 52.037 -0.332 0.000 0.690 189 A CB 1.785 20.648 19.000 -0.229 0.000 1.281 189 A HN 0.918 nan 8.150 nan 0.000 0.402 190 R N 0.416 120.697 120.500 -0.365 0.000 2.739 190 R HA 0.774 5.114 4.340 -0.001 0.000 0.271 190 R C -2.094 174.103 176.300 -0.171 0.000 1.010 190 R CA -0.709 55.196 56.100 -0.324 0.000 0.897 190 R CB 1.469 31.567 30.300 -0.337 0.000 1.236 190 R HN 0.436 nan 8.270 nan 0.000 0.466 191 V N 3.050 122.890 119.914 -0.124 0.000 2.407 191 V HA 0.456 4.575 4.120 -0.001 0.000 0.291 191 V C -0.062 176.001 176.094 -0.051 0.000 1.018 191 V CA -0.651 61.602 62.300 -0.079 0.000 0.842 191 V CB 1.427 33.209 31.823 -0.069 0.000 0.996 191 V HN 0.588 nan 8.190 nan 0.000 0.426 192 I N 5.687 126.233 120.570 -0.039 0.000 2.441 192 I HA 0.466 4.636 4.170 -0.001 0.000 0.295 192 I C -0.495 175.609 176.117 -0.020 0.000 0.994 192 I CA -0.543 60.744 61.300 -0.022 0.000 1.144 192 I CB 1.894 39.884 38.000 -0.017 0.000 1.314 192 I HN 0.376 nan 8.210 nan 0.000 0.445 193 L N 8.040 129.255 121.223 -0.012 0.000 2.445 193 L HA 0.346 4.685 4.340 -0.001 0.000 0.252 193 L C -2.248 174.616 176.870 -0.010 0.000 1.105 193 L CA -1.805 53.027 54.840 -0.013 0.000 0.943 193 L CB 0.830 42.884 42.059 -0.008 0.000 1.277 193 L HN 0.301 nan 8.230 nan 0.000 0.465 194 P HA -0.101 nan 4.420 nan 0.000 0.257 194 P C 0.936 178.228 177.300 -0.013 0.000 1.153 194 P CA 1.325 64.416 63.100 -0.015 0.000 0.762 194 P CB 0.745 32.425 31.700 -0.034 0.000 0.743 195 G N 2.678 111.493 108.800 0.024 0.000 2.175 195 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.244 195 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.244 195 G C 0.392 175.327 174.900 0.059 0.000 0.982 195 G CA 0.467 45.603 45.100 0.059 0.000 0.641 195 G HN 0.503 nan 8.290 nan 0.000 0.527 196 M N -1.569 118.054 119.600 0.037 0.000 1.808 196 M HA 0.170 4.650 4.480 -0.001 0.000 0.178 196 M C 0.871 177.191 176.300 0.033 0.000 1.561 196 M CA 0.664 55.986 55.300 0.037 0.000 0.862 196 M CB 0.462 33.076 32.600 0.023 0.000 1.567 196 M HN 0.054 nan 8.290 nan 0.000 0.599 197 T N 1.704 116.272 114.554 0.023 0.000 2.882 197 T HA 0.541 4.891 4.350 -0.001 0.000 0.287 197 T C -0.132 174.583 174.700 0.025 0.000 1.014 197 T CA -0.349 61.763 62.100 0.020 0.000 1.049 197 T CB 1.244 70.116 68.868 0.008 0.000 1.001 197 T HN 0.335 nan 8.240 nan 0.000 0.525 198 A N 1.224 124.062 122.820 0.029 0.000 2.546 198 A HA 0.314 4.634 4.320 -0.001 0.000 0.243 198 A C 1.077 178.682 177.584 0.035 0.000 1.063 198 A CA -0.609 51.451 52.037 0.037 0.000 0.757 198 A CB -0.893 18.135 19.000 0.046 0.000 0.991 198 A HN 1.079 nan 8.150 nan 0.000 0.503 199 C N 2.229 121.551 119.300 0.036 0.000 2.411 199 C HA 0.555 5.015 4.460 -0.001 0.000 0.358 199 C C 1.846 176.865 174.990 0.049 0.000 1.349 199 C CA -0.794 58.242 59.018 0.031 0.000 2.326 199 C CB -0.206 27.547 27.740 0.022 0.000 2.166 199 C HN 0.747 nan 8.230 nan 0.000 0.609 200 I N 0.705 121.305 120.570 0.051 0.000 2.264 200 I HA -0.111 4.059 4.170 -0.001 0.000 0.248 200 I C 2.549 178.725 176.117 0.098 0.000 1.111 200 I CA 1.787 63.140 61.300 0.087 0.000 1.382 200 I CB -1.329 36.724 38.000 0.087 0.000 1.060 200 I HN 0.827 nan 8.210 nan 0.000 0.418 201 E N 0.404 120.642 120.200 0.064 0.000 2.047 201 E HA -0.153 4.197 4.350 -0.001 0.000 0.191 201 E C 2.420 179.052 176.600 0.054 0.000 0.987 201 E CA 1.202 57.635 56.400 0.056 0.000 0.799 201 E CB -0.302 29.415 29.700 0.028 0.000 0.752 201 E HN 0.414 nan 8.360 nan 0.000 0.449 202 C N 0.102 119.431 119.300 0.047 0.000 2.396 202 C HA -0.178 4.281 4.460 -0.001 0.000 0.277 202 C C 2.335 177.353 174.990 0.046 0.000 1.231 202 C CA 1.853 60.897 59.018 0.045 0.000 1.775 202 C CB -1.445 26.322 27.740 0.045 0.000 2.036 202 C HN 0.605 nan 8.230 nan 0.000 0.484 203 T N -1.840 112.748 114.554 0.056 0.000 3.176 203 T HA 0.198 4.548 4.350 -0.001 0.000 0.263 203 T C 1.151 175.871 174.700 0.034 0.000 1.021 203 T CA -0.103 62.021 62.100 0.039 0.000 0.905 203 T CB -0.248 68.650 68.868 0.050 0.000 1.057 203 T HN 0.253 nan 8.240 nan 0.000 0.558 204 L N 2.080 123.352 121.223 0.081 0.000 2.137 204 L HA -0.085 4.255 4.340 -0.001 0.000 0.213 204 L C 1.979 178.937 176.870 0.146 0.000 1.085 204 L CA 1.822 56.755 54.840 0.154 0.000 0.760 204 L CB -0.526 41.607 42.059 0.123 0.000 0.893 204 L HN 0.362 nan 8.230 nan 0.000 0.434 205 E N -0.996 119.243 120.200 0.063 0.000 2.502 205 E HA -0.058 4.291 4.350 -0.001 0.000 0.194 205 E C 1.938 178.547 176.600 0.015 0.000 1.062 205 E CA 0.086 56.516 56.400 0.050 0.000 0.867 205 E CB -0.086 29.628 29.700 0.024 0.000 0.888 205 E HN 0.551 nan 8.360 nan 0.000 0.510 206 L N 0.167 121.356 121.223 -0.057 0.000 2.478 206 L HA -0.009 4.330 4.340 -0.001 0.000 0.223 206 L C 0.387 177.181 176.870 -0.126 0.000 1.140 206 L CA 0.258 55.029 54.840 -0.115 0.000 0.842 206 L CB -0.116 41.839 42.059 -0.174 0.000 0.953 206 L HN 0.145 nan 8.230 nan 0.000 0.452 207 Y N 0.930 121.269 120.300 0.065 0.000 2.402 207 Y HA 0.157 4.706 4.550 -0.001 0.000 0.333 207 Y C -1.537 174.385 175.900 0.036 0.000 1.076 207 Y CA -2.342 55.792 58.100 0.057 0.000 1.299 207 Y CB 0.037 38.523 38.460 0.045 0.000 1.197 207 Y HN -0.037 nan 8.280 nan 0.000 0.517 208 P HA 0.064 nan 4.420 nan 0.000 0.271 208 P C -2.466 174.887 177.300 0.088 0.000 1.244 208 P CA -0.878 62.285 63.100 0.106 0.000 0.793 208 P CB -0.005 31.749 31.700 0.091 0.000 0.984 209 P HA 0.180 nan 4.420 nan 0.000 0.277 209 P C -1.002 176.298 177.300 0.002 0.000 1.240 209 P CA -0.465 62.649 63.100 0.023 0.000 0.798 209 P CB 0.356 32.063 31.700 0.012 0.000 0.979 210 Q N 0.408 120.195 119.800 -0.022 0.000 2.274 210 Q HA 0.351 4.690 4.340 -0.001 0.000 0.256 210 Q C -0.784 175.159 176.000 -0.094 0.000 0.927 210 Q CA -0.925 54.845 55.803 -0.055 0.000 0.939 210 Q CB 0.585 29.285 28.738 -0.065 0.000 1.201 210 Q HN 0.081 nan 8.270 nan 0.000 0.426 211 V N 4.084 123.923 119.914 -0.125 0.000 2.416 211 V HA -0.059 4.061 4.120 -0.001 0.000 0.267 211 V C 0.022 175.890 176.094 -0.377 0.000 1.007 211 V CA 0.453 62.635 62.300 -0.198 0.000 1.102 211 V CB -1.047 30.663 31.823 -0.189 0.000 1.035 211 V HN 0.813 nan 8.190 nan 0.000 0.473 212 N N 4.086 122.614 118.700 -0.287 0.000 2.400 212 N HA 0.510 5.250 4.740 -0.001 0.000 0.288 212 N C -0.862 174.518 175.510 -0.216 0.000 1.024 212 N CA -0.686 52.183 53.050 -0.301 0.000 0.894 212 N CB 1.202 39.613 38.487 -0.127 0.000 1.173 212 N HN 0.493 nan 8.380 nan 0.000 0.487 213 F N 2.763 122.730 119.950 0.029 0.000 2.424 213 F HA 0.328 4.854 4.527 -0.000 0.000 0.356 213 F C -1.707 174.079 175.800 -0.023 0.000 1.110 213 F CA -2.006 55.998 58.000 0.008 0.000 1.161 213 F CB 0.851 39.863 39.000 0.020 0.000 1.115 213 F HN 0.251 nan 8.300 nan 0.000 0.507 214 P HA 0.060 nan 4.420 nan 0.000 0.271 214 P C 0.688 178.013 177.300 0.041 0.000 1.233 214 P CA -0.146 62.993 63.100 0.065 0.000 0.764 214 P CB 0.824 32.545 31.700 0.036 0.000 0.825 215 M N 3.598 123.226 119.600 0.048 0.000 2.346 215 M HA -0.236 4.244 4.480 -0.001 0.000 0.263 215 M C 1.656 177.956 176.300 0.002 0.000 1.064 215 M CA 1.876 57.199 55.300 0.038 0.000 1.083 215 M CB -0.258 32.375 32.600 0.055 0.000 1.399 215 M HN 0.446 nan 8.290 nan 0.000 0.435 216 A N -0.036 122.781 122.820 -0.004 0.000 1.892 216 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 216 A C 2.183 179.730 177.584 -0.060 0.000 1.188 216 A CA 2.588 54.614 52.037 -0.017 0.000 0.631 216 A CB -1.458 17.536 19.000 -0.010 0.000 0.822 216 A HN 0.702 nan 8.150 nan 0.000 0.447 217 T N -2.604 111.884 114.554 -0.110 0.000 3.014 217 T HA 0.127 4.476 4.350 -0.001 0.000 0.263 217 T C 1.770 176.283 174.700 -0.311 0.000 1.078 217 T CA 1.004 62.976 62.100 -0.212 0.000 1.135 217 T CB -0.436 68.262 68.868 -0.283 0.000 0.895 217 T HN 0.352 nan 8.240 nan 0.000 0.480 218 I N 1.418 121.844 120.570 -0.239 0.000 2.353 218 I HA 0.038 4.208 4.170 -0.001 0.000 0.248 218 I C 3.029 179.074 176.117 -0.120 0.000 1.119 218 I CA 1.278 62.464 61.300 -0.190 0.000 1.417 218 I CB -0.343 37.643 38.000 -0.024 0.000 1.078 218 I HN 0.390 nan 8.210 nan 0.000 0.421 219 A N -0.787 122.002 122.820 -0.052 0.000 2.044 219 A HA 0.038 4.358 4.320 -0.001 0.000 0.213 219 A C 2.304 179.834 177.584 -0.090 0.000 1.169 219 A CA 0.955 52.983 52.037 -0.015 0.000 0.724 219 A CB -0.068 18.986 19.000 0.090 0.000 0.840 219 A HN 0.304 nan 8.150 nan 0.000 0.463 220 S N -0.288 115.358 115.700 -0.091 0.000 2.527 220 S HA 0.207 4.677 4.470 -0.001 0.000 0.225 220 S C 0.876 175.433 174.600 -0.071 0.000 1.046 220 S CA 0.720 58.892 58.200 -0.047 0.000 0.929 220 S CB -0.080 63.111 63.200 -0.014 0.000 0.851 220 S HN 0.624 nan 8.310 nan 0.000 0.565 221 M N 1.645 121.169 119.600 -0.127 0.000 2.325 221 M HA 0.515 4.995 4.480 -0.001 0.000 0.305 221 M C -3.348 172.819 176.300 -0.222 0.000 1.047 221 M CA -1.922 53.305 55.300 -0.120 0.000 0.981 221 M CB 0.860 33.433 32.600 -0.044 0.000 1.307 221 M HN -0.202 nan 8.290 nan 0.000 0.418 222 P HA 0.364 nan 4.420 nan 0.000 0.275 222 P C -0.274 176.982 177.300 -0.073 0.000 1.227 222 P CA -0.244 62.674 63.100 -0.303 0.000 0.781 222 P CB 1.004 32.332 31.700 -0.620 0.000 0.906 223 R N 1.638 122.246 120.500 0.180 0.000 2.470 223 R HA 0.302 4.642 4.340 -0.001 0.000 0.210 223 R C 0.221 176.482 176.300 -0.065 0.000 0.873 223 R CA -0.033 56.104 56.100 0.062 0.000 1.015 223 R CB 0.114 30.472 30.300 0.097 0.000 1.348 223 R HN 0.316 nan 8.270 nan 0.000 0.650 224 L N 1.264 122.317 121.223 -0.282 0.000 2.322 224 L HA 0.440 4.779 4.340 -0.001 0.000 0.269 224 L C -1.965 174.718 176.870 -0.311 0.000 1.012 224 L CA -2.457 52.150 54.840 -0.388 0.000 0.815 224 L CB 1.433 43.110 42.059 -0.636 0.000 1.295 224 L HN -0.313 nan 8.230 nan 0.000 0.438 225 P HA -0.153 nan 4.420 nan 0.000 0.218 225 P C 0.852 178.083 177.300 -0.115 0.000 1.148 225 P CA 1.101 64.143 63.100 -0.096 0.000 0.822 225 P CB 0.312 31.989 31.700 -0.037 0.000 0.784 226 E N -1.671 118.414 120.200 -0.191 0.000 2.160 226 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 226 E C 1.834 178.294 176.600 -0.233 0.000 0.991 226 E CA 1.193 57.502 56.400 -0.153 0.000 0.810 226 E CB -0.857 28.787 29.700 -0.094 0.000 0.742 226 E HN 0.549 nan 8.360 nan 0.000 0.466 227 H N -1.374 117.452 119.070 -0.407 0.000 2.389 227 H HA -0.051 4.504 4.556 -0.001 0.000 0.299 227 H C 1.887 177.081 175.328 -0.223 0.000 1.081 227 H CA 0.852 56.626 56.048 -0.456 0.000 1.345 227 H CB 0.007 29.508 29.762 -0.436 0.000 1.393 227 H HN 0.221 nan 8.280 nan 0.000 0.520 228 C N 0.547 119.821 119.300 -0.043 0.000 2.446 228 C HA -0.101 4.359 4.460 -0.001 0.000 0.277 228 C C 2.722 177.759 174.990 0.079 0.000 1.275 228 C CA 0.567 59.575 59.018 -0.018 0.000 1.727 228 C CB -0.727 26.994 27.740 -0.033 0.000 2.010 228 C HN 0.493 nan 8.230 nan 0.000 0.486 229 I N 0.876 121.480 120.570 0.057 0.000 2.202 229 I HA -0.158 4.012 4.170 -0.001 0.000 0.242 229 I C 2.629 178.815 176.117 0.114 0.000 1.091 229 I CA 1.538 62.890 61.300 0.088 0.000 1.368 229 I CB -0.640 37.404 38.000 0.074 0.000 1.058 229 I HN 0.245 nan 8.210 nan 0.000 0.410 230 E N 0.750 121.019 120.200 0.114 0.000 2.209 230 E HA -0.280 4.069 4.350 -0.001 0.000 0.196 230 E C 1.942 178.637 176.600 0.158 0.000 0.993 230 E CA 1.471 57.965 56.400 0.155 0.000 0.819 230 E CB -0.363 29.462 29.700 0.210 0.000 0.745 230 E HN 0.545 nan 8.360 nan 0.000 0.477 231 Y N -0.269 120.047 120.300 0.028 0.000 2.130 231 Y HA -0.117 4.433 4.550 -0.001 0.000 0.287 231 Y C 2.007 177.957 175.900 0.084 0.000 1.124 231 Y CA 1.696 59.816 58.100 0.034 0.000 1.118 231 Y CB -0.475 37.977 38.460 -0.013 0.000 0.994 231 Y HN -0.081 nan 8.280 nan 0.000 0.497 232 V N 2.058 122.039 119.914 0.111 0.000 2.982 232 V HA -0.268 3.852 4.120 -0.001 0.000 0.265 232 V C 2.380 178.572 176.094 0.163 0.000 1.122 232 V CA 2.249 64.581 62.300 0.054 0.000 1.143 232 V CB -0.893 30.961 31.823 0.053 0.000 0.726 232 V HN 0.460 nan 8.190 nan 0.000 0.507 233 R N -0.390 120.174 120.500 0.108 0.000 2.142 233 R HA 0.129 4.469 4.340 -0.001 0.000 0.204 233 R C 2.181 178.510 176.300 0.048 0.000 1.059 233 R CA 0.805 56.959 56.100 0.089 0.000 1.055 233 R CB -0.059 30.264 30.300 0.037 0.000 0.976 233 R HN 0.463 nan 8.270 nan 0.000 0.483 234 M N 0.250 119.869 119.600 0.031 0.000 2.394 234 M HA 0.087 4.567 4.480 -0.001 0.000 0.266 234 M C 1.006 177.306 176.300 0.001 0.000 1.098 234 M CA 1.250 56.564 55.300 0.024 0.000 1.149 234 M CB 0.438 33.068 32.600 0.050 0.000 1.369 234 M HN 0.216 nan 8.290 nan 0.000 0.450 235 L N -1.588 119.570 121.223 -0.109 0.000 2.614 235 L HA 0.095 4.434 4.340 -0.001 0.000 0.185 235 L C 2.302 179.064 176.870 -0.181 0.000 1.098 235 L CA 0.224 54.958 54.840 -0.177 0.000 0.852 235 L CB -0.889 40.989 42.059 -0.301 0.000 1.213 235 L HN 0.193 nan 8.230 nan 0.000 0.491 236 Q N 0.201 119.762 119.800 -0.398 0.000 2.135 236 Q HA -0.260 4.079 4.340 -0.001 0.000 0.204 236 Q C 2.100 178.243 176.000 0.239 0.000 0.981 236 Q CA 2.061 57.799 55.803 -0.108 0.000 0.856 236 Q CB -0.117 28.547 28.738 -0.124 0.000 0.902 236 Q HN 0.566 nan 8.270 nan 0.000 0.425 237 W N 1.088 122.475 121.300 0.145 0.000 2.353 237 W HA -0.077 4.582 4.660 -0.000 0.000 0.319 237 W C -1.238 175.282 176.519 0.002 0.000 1.207 237 W CA 1.414 58.849 57.345 0.150 0.000 1.291 237 W CB -1.466 28.071 29.460 0.129 0.000 1.159 237 W HN 0.150 nan 8.180 nan 0.000 0.478 238 P HA -0.218 nan 4.420 nan 0.000 0.213 238 P C 1.473 178.790 177.300 0.029 0.000 1.170 238 P CA 2.694 65.897 63.100 0.171 0.000 0.898 238 P CB -0.367 31.421 31.700 0.147 0.000 0.787 239 K N 0.450 120.870 120.400 0.034 0.000 2.293 239 K HA -0.197 4.123 4.320 -0.001 0.000 0.204 239 K C 0.742 177.332 176.600 -0.017 0.000 1.045 239 K CA 1.557 57.851 56.287 0.012 0.000 0.933 239 K CB -0.622 31.891 32.500 0.023 0.000 0.736 239 K HN 0.383 nan 8.250 nan 0.000 0.463 240 E N -0.589 119.572 120.200 -0.064 0.000 4.170 240 E HA 0.077 4.427 4.350 -0.001 0.000 0.199 240 E C -0.962 175.458 176.600 -0.299 0.000 1.080 240 E CA -0.443 55.887 56.400 -0.117 0.000 1.446 240 E CB 0.031 29.714 29.700 -0.028 0.000 1.170 240 E HN -0.061 nan 8.360 nan 0.000 0.429 241 Q N 0.632 120.226 119.800 -0.343 0.000 2.290 241 Q HA -0.175 4.165 4.340 -0.001 0.000 0.356 241 Q C -1.570 174.025 176.000 -0.675 0.000 1.183 241 Q CA 0.498 56.005 55.803 -0.492 0.000 1.184 241 Q CB -0.758 27.823 28.738 -0.262 0.000 1.368 241 Q HN 0.467 nan 8.270 nan 0.000 0.295 242 P HA -0.194 nan 4.420 nan 0.000 0.216 242 P C 0.368 177.127 177.300 -0.902 0.000 1.167 242 P CA 1.441 63.746 63.100 -1.325 0.000 0.914 242 P CB 0.049 30.284 31.700 -2.442 0.000 0.793 243 F N -0.802 118.586 119.950 -0.937 0.000 2.975 243 F HA 0.534 5.061 4.527 -0.001 0.000 0.311 243 F C 1.153 176.795 175.800 -0.264 0.000 1.239 243 F CA -0.143 57.591 58.000 -0.445 0.000 1.282 243 F CB -0.223 38.634 39.000 -0.238 0.000 1.071 243 F HN -0.049 nan 8.300 nan 0.000 0.516 244 G N 0.458 109.148 108.800 -0.184 0.000 2.712 244 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.686 244 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.686 244 G C -0.519 174.315 174.900 -0.109 0.000 1.181 244 G CA -1.219 43.814 45.100 -0.112 0.000 0.762 244 G HN 0.245 nan 8.290 nan 0.000 0.641 245 E N 0.209 120.357 120.200 -0.087 0.000 2.415 245 E HA 0.378 4.728 4.350 -0.001 0.000 0.262 245 E C 1.547 178.133 176.600 -0.024 0.000 1.038 245 E CA 1.183 57.543 56.400 -0.067 0.000 0.921 245 E CB 0.684 30.353 29.700 -0.051 0.000 0.950 245 E HN 2.117 nan 8.360 nan 0.000 0.438 246 G N 1.754 110.550 108.800 -0.007 0.000 2.377 246 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.250 246 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.250 246 G C 0.465 175.404 174.900 0.066 0.000 1.039 246 G CA 0.287 45.403 45.100 0.027 0.000 0.625 246 G HN 0.460 nan 8.290 nan 0.000 0.526 247 V N 3.457 123.413 119.914 0.071 0.000 2.493 247 V HA 0.324 4.444 4.120 -0.001 0.000 0.292 247 V C -1.078 175.182 176.094 0.277 0.000 1.016 247 V CA -0.307 62.079 62.300 0.144 0.000 1.097 247 V CB 0.751 32.660 31.823 0.145 0.000 0.947 247 V HN 0.271 nan 8.190 nan 0.000 0.479 248 P HA 0.271 nan 4.420 nan 0.000 0.276 248 P C -0.625 176.779 177.300 0.173 0.000 1.244 248 P CA -0.751 62.478 63.100 0.214 0.000 0.801 248 P CB 0.600 32.345 31.700 0.075 0.000 1.006 249 L N 1.990 123.014 121.223 -0.332 0.000 2.369 249 L HA 0.268 4.608 4.340 -0.001 0.000 0.279 249 L C -0.394 176.300 176.870 -0.292 0.000 1.108 249 L CA 0.038 54.313 54.840 -0.942 0.000 0.852 249 L CB -0.715 40.371 42.059 -1.622 0.000 1.169 249 L HN 0.211 nan 8.230 nan 0.000 0.452 250 D N 3.189 123.626 120.400 0.062 0.000 2.428 250 D HA 0.368 5.007 4.640 -0.001 0.000 0.221 250 D C 1.315 177.521 176.300 -0.156 0.000 1.123 250 D CA 0.253 54.180 54.000 -0.122 0.000 0.869 250 D CB 1.298 41.921 40.800 -0.295 0.000 1.032 250 D HN 0.734 nan 8.370 nan 0.000 0.506 251 G N 3.029 111.743 108.800 -0.143 0.000 2.501 251 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.220 251 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.220 251 G C 0.963 175.804 174.900 -0.098 0.000 1.114 251 G CA 0.390 45.419 45.100 -0.118 0.000 0.757 251 G HN 0.543 nan 8.290 nan 0.000 0.559 252 D N -0.214 120.119 120.400 -0.111 0.000 2.369 252 D HA 0.010 4.650 4.640 -0.001 0.000 0.211 252 D C -0.055 176.183 176.300 -0.103 0.000 1.077 252 D CA -0.073 53.874 54.000 -0.088 0.000 0.842 252 D CB 0.417 41.170 40.800 -0.078 0.000 0.947 252 D HN 0.168 nan 8.370 nan 0.000 0.509 253 D N 1.511 121.799 120.400 -0.187 0.000 2.374 253 D HA 0.060 4.700 4.640 -0.001 0.000 0.240 253 D C -1.673 174.584 176.300 -0.072 0.000 1.229 253 D CA -1.966 51.880 54.000 -0.256 0.000 0.895 253 D CB 1.981 42.319 40.800 -0.770 0.000 1.046 253 D HN -0.110 nan 8.370 nan 0.000 0.498 254 P HA -0.159 nan 4.420 nan 0.000 0.217 254 P C 0.801 178.246 177.300 0.242 0.000 1.148 254 P CA 1.203 64.397 63.100 0.157 0.000 0.834 254 P CB 0.363 32.137 31.700 0.124 0.000 0.783 255 E N -2.054 118.277 120.200 0.219 0.000 2.152 255 E HA -0.158 4.192 4.350 -0.001 0.000 0.192 255 E C 1.954 178.888 176.600 0.556 0.000 0.983 255 E CA 0.653 57.296 56.400 0.405 0.000 0.818 255 E CB -0.446 29.540 29.700 0.477 0.000 0.758 255 E HN 0.547 nan 8.360 nan 0.000 0.467 256 H N 0.368 119.480 119.070 0.071 0.000 2.357 256 H HA -0.029 4.527 4.556 -0.001 0.000 0.301 256 H C 2.277 177.801 175.328 0.326 0.000 1.082 256 H CA 0.714 56.795 56.048 0.054 0.000 1.342 256 H CB 0.167 29.791 29.762 -0.229 0.000 1.389 256 H HN 0.096 nan 8.280 nan 0.000 0.511 257 I N 0.741 121.517 120.570 0.343 0.000 2.226 257 I HA -0.256 3.913 4.170 -0.001 0.000 0.245 257 I C 2.665 179.042 176.117 0.433 0.000 1.100 257 I CA 1.004 62.458 61.300 0.256 0.000 1.374 257 I CB -0.113 37.930 38.000 0.070 0.000 1.057 257 I HN 0.208 nan 8.210 nan 0.000 0.413 258 Q N 0.401 120.535 119.800 0.556 0.000 2.135 258 Q HA -0.270 4.069 4.340 -0.001 0.000 0.204 258 Q C 1.884 178.214 176.000 0.551 0.000 0.981 258 Q CA 1.941 58.111 55.803 0.611 0.000 0.856 258 Q CB -0.518 28.507 28.738 0.480 0.000 0.902 258 Q HN 0.574 nan 8.270 nan 0.000 0.425 259 W N -0.024 121.533 121.300 0.428 0.000 2.381 259 W HA -0.041 4.618 4.660 -0.001 0.000 0.301 259 W C 1.548 178.259 176.519 0.320 0.000 1.205 259 W CA 1.497 59.070 57.345 0.379 0.000 1.285 259 W CB -0.173 29.608 29.460 0.535 0.000 1.133 259 W HN 0.166 nan 8.180 nan 0.000 0.521 260 I N -0.235 120.597 120.570 0.437 0.000 2.252 260 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 260 I C 2.387 178.568 176.117 0.107 0.000 1.102 260 I CA 1.220 62.631 61.300 0.186 0.000 1.385 260 I CB -0.950 37.230 38.000 0.301 0.000 1.064 260 I HN -0.030 nan 8.210 nan 0.000 0.414 261 F N 2.165 122.158 119.950 0.073 0.000 2.126 261 F HA -0.292 4.235 4.527 -0.000 0.000 0.299 261 F C 2.529 178.341 175.800 0.021 0.000 1.096 261 F CA 1.996 60.038 58.000 0.070 0.000 1.255 261 F CB -0.634 38.491 39.000 0.208 0.000 0.997 261 F HN 0.011 nan 8.300 nan 0.000 0.479 262 Q N 1.067 120.752 119.800 -0.192 0.000 1.975 262 Q HA -0.181 4.159 4.340 -0.001 0.000 0.205 262 Q C 2.145 177.931 176.000 -0.357 0.000 0.990 262 Q CA 2.106 57.697 55.803 -0.353 0.000 0.845 262 Q CB -0.425 28.199 28.738 -0.190 0.000 0.913 262 Q HN 0.162 nan 8.270 nan 0.000 0.420 263 K N -0.055 120.080 120.400 -0.442 0.000 2.281 263 K HA -0.030 4.290 4.320 -0.001 0.000 0.203 263 K C 2.165 178.642 176.600 -0.204 0.000 1.046 263 K CA 1.070 57.111 56.287 -0.411 0.000 0.938 263 K CB -0.289 31.760 32.500 -0.752 0.000 0.737 263 K HN 0.137 nan 8.250 nan 0.000 0.458 264 S N 1.082 116.684 115.700 -0.164 0.000 2.377 264 S HA 0.070 4.539 4.470 -0.001 0.000 0.223 264 S C 1.997 176.544 174.600 -0.089 0.000 1.030 264 S CA 0.371 58.536 58.200 -0.058 0.000 0.970 264 S CB -0.035 63.180 63.200 0.024 0.000 0.830 264 S HN 0.177 nan 8.310 nan 0.000 0.473 265 L N 1.478 122.578 121.223 -0.205 0.000 2.079 265 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 265 L C 2.484 179.282 176.870 -0.119 0.000 1.081 265 L CA 1.348 56.068 54.840 -0.200 0.000 0.752 265 L CB -0.566 41.274 42.059 -0.365 0.000 0.896 265 L HN 0.374 nan 8.230 nan 0.000 0.433 266 E N -0.383 119.741 120.200 -0.125 0.000 2.028 266 E HA -0.261 4.088 4.350 -0.001 0.000 0.191 266 E C 2.240 178.827 176.600 -0.022 0.000 0.988 266 E CA 1.032 57.386 56.400 -0.075 0.000 0.799 266 E CB -0.093 29.555 29.700 -0.086 0.000 0.755 266 E HN 0.218 nan 8.360 nan 0.000 0.447 267 R N 1.097 121.594 120.500 -0.005 0.000 2.081 267 R HA -0.117 4.222 4.340 -0.001 0.000 0.235 267 R C 2.050 178.402 176.300 0.088 0.000 1.131 267 R CA 1.581 57.707 56.100 0.044 0.000 0.960 267 R CB -0.517 29.792 30.300 0.015 0.000 0.856 267 R HN 0.175 nan 8.270 nan 0.000 0.436 268 A N -0.853 121.985 122.820 0.031 0.000 1.877 268 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 268 A C 2.272 179.892 177.584 0.060 0.000 1.186 268 A CA 1.857 53.918 52.037 0.040 0.000 0.620 268 A CB -1.063 17.941 19.000 0.007 0.000 0.822 268 A HN 0.440 nan 8.150 nan 0.000 0.443 269 S N -0.885 114.827 115.700 0.020 0.000 2.383 269 S HA -0.235 4.235 4.470 -0.001 0.000 0.229 269 S C 2.155 176.756 174.600 0.002 0.000 1.030 269 S CA 1.720 59.922 58.200 0.003 0.000 1.002 269 S CB -0.381 62.805 63.200 -0.023 0.000 0.829 269 S HN 0.665 nan 8.310 nan 0.000 0.467 270 Q N -0.815 118.994 119.800 0.016 0.000 2.002 270 Q HA -0.146 4.194 4.340 -0.001 0.000 0.204 270 Q C 1.060 176.965 176.000 -0.158 0.000 0.988 270 Q CA 1.903 57.660 55.803 -0.075 0.000 0.843 270 Q CB -0.256 28.445 28.738 -0.062 0.000 0.908 270 Q HN 0.700 nan 8.270 nan 0.000 0.420 271 Y N 1.494 121.758 120.300 -0.060 0.000 2.470 271 Y HA 0.037 4.587 4.550 -0.000 0.000 0.302 271 Y C 0.107 175.984 175.900 -0.038 0.000 1.194 271 Y CA -0.114 57.955 58.100 -0.050 0.000 1.271 271 Y CB -0.639 37.786 38.460 -0.059 0.000 1.092 271 Y HN 0.276 nan 8.280 nan 0.000 0.513 272 N N 0.689 119.432 118.700 0.072 0.000 2.691 272 N HA -0.279 4.461 4.740 -0.001 0.000 0.277 272 N C -0.861 174.677 175.510 0.047 0.000 1.029 272 N CA 0.724 53.797 53.050 0.038 0.000 0.798 272 N CB -1.571 36.922 38.487 0.010 0.000 0.922 272 N HN 0.494 nan 8.380 nan 0.000 0.562 273 I N 0.693 121.293 120.570 0.050 0.000 2.404 273 I HA 0.337 4.506 4.170 -0.001 0.000 0.293 273 I C 1.045 177.171 176.117 0.016 0.000 0.992 273 I CA -0.850 60.466 61.300 0.028 0.000 1.149 273 I CB 1.383 39.391 38.000 0.013 0.000 1.315 273 I HN 0.106 nan 8.210 nan 0.000 0.446 274 R N 3.245 123.752 120.500 0.012 0.000 2.607 274 R HA 0.635 4.974 4.340 -0.001 0.000 0.261 274 R C 0.750 177.060 176.300 0.017 0.000 1.051 274 R CA -0.230 55.881 56.100 0.017 0.000 1.110 274 R CB 0.867 31.177 30.300 0.017 0.000 1.158 274 R HN 0.937 nan 8.270 nan 0.000 0.543 275 G N -0.316 108.504 108.800 0.034 0.000 2.179 275 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.220 275 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.220 275 G C -0.179 174.759 174.900 0.063 0.000 0.990 275 G CA -0.353 44.770 45.100 0.038 0.000 0.646 275 G HN 0.362 nan 8.290 nan 0.000 0.517 276 V N 2.103 122.073 119.914 0.094 0.000 2.405 276 V HA 0.591 4.711 4.120 -0.001 0.000 0.264 276 V C 0.859 177.139 176.094 0.310 0.000 1.048 276 V CA 0.951 63.350 62.300 0.165 0.000 0.966 276 V CB 0.997 32.905 31.823 0.141 0.000 1.015 276 V HN 0.527 nan 8.190 nan 0.000 0.477 277 T N 3.577 118.269 114.554 0.230 0.000 2.932 277 T HA 0.369 4.719 4.350 -0.001 0.000 0.289 277 T C 0.580 175.178 174.700 -0.170 0.000 1.039 277 T CA -0.401 61.778 62.100 0.131 0.000 1.024 277 T CB 1.249 70.143 68.868 0.044 0.000 1.090 277 T HN 0.506 nan 8.240 nan 0.000 0.496 278 Y N 2.901 122.729 120.300 -0.786 0.000 2.128 278 Y HA -0.039 4.511 4.550 -0.001 0.000 0.284 278 Y C 2.743 178.435 175.900 -0.347 0.000 1.154 278 Y CA 2.257 59.787 58.100 -0.950 0.000 1.149 278 Y CB -0.080 37.875 38.460 -0.843 0.000 0.976 278 Y HN 0.706 nan 8.280 nan 0.000 0.505 279 R N -0.249 120.153 120.500 -0.164 0.000 2.091 279 R HA -0.196 4.144 4.340 -0.001 0.000 0.238 279 R C 2.166 178.386 176.300 -0.133 0.000 1.136 279 R CA 1.748 57.775 56.100 -0.121 0.000 0.959 279 R CB -0.601 29.682 30.300 -0.028 0.000 0.856 279 R HN 0.465 nan 8.270 nan 0.000 0.437 280 L N 0.694 121.861 121.223 -0.093 0.000 2.141 280 L HA -0.075 4.265 4.340 -0.001 0.000 0.209 280 L C 1.822 178.655 176.870 -0.061 0.000 1.094 280 L CA 1.945 56.757 54.840 -0.047 0.000 0.763 280 L CB -0.561 41.498 42.059 0.000 0.000 0.908 280 L HN 0.140 nan 8.230 nan 0.000 0.437 281 T N -0.605 113.883 114.554 -0.110 0.000 2.708 281 T HA -0.224 4.125 4.350 -0.001 0.000 0.266 281 T C 1.792 176.404 174.700 -0.148 0.000 1.037 281 T CA 1.870 63.914 62.100 -0.094 0.000 1.146 281 T CB -0.220 68.583 68.868 -0.109 0.000 0.865 281 T HN 0.489 nan 8.240 nan 0.000 0.435 282 Q N 0.391 120.031 119.800 -0.267 0.000 2.050 282 Q HA -0.047 4.293 4.340 -0.001 0.000 0.202 282 Q C 2.804 178.736 176.000 -0.112 0.000 0.980 282 Q CA 1.431 57.106 55.803 -0.213 0.000 0.840 282 Q CB -0.638 27.949 28.738 -0.252 0.000 0.898 282 Q HN 0.603 nan 8.270 nan 0.000 0.424 283 G N 0.742 109.487 108.800 -0.091 0.000 2.491 283 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.218 283 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.218 283 G C 1.553 176.440 174.900 -0.021 0.000 1.180 283 G CA 1.306 46.378 45.100 -0.046 0.000 0.774 283 G HN 0.229 nan 8.290 nan 0.000 0.562 284 V N 0.320 120.233 119.914 -0.001 0.000 2.261 284 V HA -0.182 3.937 4.120 -0.001 0.000 0.246 284 V C 3.033 179.141 176.094 0.023 0.000 1.047 284 V CA 1.626 63.953 62.300 0.044 0.000 1.015 284 V CB -0.663 31.207 31.823 0.078 0.000 0.642 284 V HN 0.243 nan 8.190 nan 0.000 0.446 285 V N -0.352 119.557 119.914 -0.009 0.000 2.295 285 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 285 V C 2.219 178.284 176.094 -0.049 0.000 1.049 285 V CA 2.019 64.300 62.300 -0.032 0.000 1.024 285 V CB -0.606 31.183 31.823 -0.056 0.000 0.648 285 V HN 0.515 nan 8.190 nan 0.000 0.447 286 K N -0.684 119.683 120.400 -0.055 0.000 2.444 286 K HA 0.113 4.432 4.320 -0.001 0.000 0.193 286 K C 0.277 176.850 176.600 -0.044 0.000 1.024 286 K CA -0.222 56.031 56.287 -0.056 0.000 1.077 286 K CB 0.206 32.669 32.500 -0.060 0.000 0.833 286 K HN 0.147 nan 8.250 nan 0.000 0.517 287 R N 0.872 121.352 120.500 -0.033 0.000 3.405 287 R HA -0.195 4.145 4.340 -0.001 0.000 0.258 287 R C -0.329 175.951 176.300 -0.032 0.000 1.030 287 R CA 0.585 56.666 56.100 -0.031 0.000 0.691 287 R CB -2.760 27.516 30.300 -0.040 0.000 1.093 287 R HN 0.347 nan 8.270 nan 0.000 0.448 288 I N 0.906 121.457 120.570 -0.031 0.000 2.815 288 I HA -0.069 4.100 4.170 -0.001 0.000 0.291 288 I C 1.386 177.487 176.117 -0.027 0.000 1.209 288 I CA 0.700 61.981 61.300 -0.031 0.000 1.431 288 I CB 0.321 38.301 38.000 -0.034 0.000 1.351 288 I HN 0.066 nan 8.210 nan 0.000 0.585 289 I N 7.627 128.180 120.570 -0.029 0.000 2.362 289 I HA 0.293 4.463 4.170 -0.001 0.000 0.289 289 I C -2.054 174.038 176.117 -0.041 0.000 0.994 289 I CA -1.889 59.394 61.300 -0.029 0.000 1.158 289 I CB 1.456 39.442 38.000 -0.024 0.000 1.315 289 I HN 0.331 nan 8.210 nan 0.000 0.451 290 P HA 0.266 nan 4.420 nan 0.000 0.266 290 P C -0.963 176.268 177.300 -0.114 0.000 1.195 290 P CA -0.081 62.972 63.100 -0.079 0.000 0.768 290 P CB 0.732 32.381 31.700 -0.086 0.000 0.838 291 A N 1.800 124.550 122.820 -0.117 0.000 2.574 291 A HA 0.716 5.036 4.320 -0.001 0.000 0.297 291 A C -0.889 176.623 177.584 -0.120 0.000 1.062 291 A CA -0.520 51.443 52.037 -0.125 0.000 0.686 291 A CB 1.467 20.426 19.000 -0.068 0.000 1.285 291 A HN 0.415 nan 8.150 nan 0.000 0.403 292 V N -1.668 118.170 119.914 -0.126 0.000 3.114 292 V HA 0.855 4.974 4.120 -0.001 0.000 0.308 292 V C 0.964 177.043 176.094 -0.026 0.000 1.168 292 V CA -0.079 62.180 62.300 -0.068 0.000 1.015 292 V CB 0.979 32.759 31.823 -0.072 0.000 1.050 292 V HN 2.013 nan 8.190 nan 0.000 0.433 293 A N 1.713 124.533 122.820 -0.000 0.000 1.865 293 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 293 A C 2.409 179.990 177.584 -0.005 0.000 1.191 293 A CA 3.125 55.162 52.037 -0.001 0.000 0.623 293 A CB -1.258 17.737 19.000 -0.007 0.000 0.826 293 A HN 1.873 nan 8.150 nan 0.000 0.444 294 S N -0.350 115.366 115.700 0.026 0.000 2.380 294 S HA -0.283 4.186 4.470 -0.001 0.000 0.229 294 S C 1.866 176.484 174.600 0.029 0.000 1.050 294 S CA 2.432 60.661 58.200 0.047 0.000 1.100 294 S CB -1.721 61.563 63.200 0.139 0.000 0.984 294 S HN 0.549 nan 8.310 nan 0.000 0.434 295 T N 2.836 117.435 114.554 0.075 0.000 2.720 295 T HA -0.071 4.279 4.350 -0.001 0.000 0.268 295 T C 1.841 176.503 174.700 -0.063 0.000 1.037 295 T CA 1.462 63.591 62.100 0.049 0.000 1.144 295 T CB -0.646 68.291 68.868 0.115 0.000 0.864 295 T HN 0.438 nan 8.240 nan 0.000 0.444 296 N N 1.344 120.018 118.700 -0.043 0.000 2.166 296 N HA -0.021 4.718 4.740 -0.001 0.000 0.186 296 N C 2.207 177.669 175.510 -0.080 0.000 1.019 296 N CA 1.293 54.310 53.050 -0.054 0.000 0.856 296 N CB -0.499 37.973 38.487 -0.025 0.000 0.993 296 N HN 0.437 nan 8.380 nan 0.000 0.426 297 A N 1.003 123.772 122.820 -0.084 0.000 1.883 297 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 297 A C 2.564 180.055 177.584 -0.155 0.000 1.186 297 A CA 1.477 53.448 52.037 -0.109 0.000 0.624 297 A CB -0.841 18.090 19.000 -0.115 0.000 0.822 297 A HN 0.101 nan 8.150 nan 0.000 0.444 298 V N 0.553 120.334 119.914 -0.222 0.000 2.237 298 V HA -0.262 3.858 4.120 -0.001 0.000 0.245 298 V C 2.463 178.365 176.094 -0.320 0.000 1.046 298 V CA 1.918 64.007 62.300 -0.353 0.000 1.007 298 V CB -0.716 30.680 31.823 -0.712 0.000 0.638 298 V HN 0.514 nan 8.190 nan 0.000 0.445 299 I N 0.676 121.071 120.570 -0.292 0.000 2.163 299 I HA -0.229 3.941 4.170 -0.001 0.000 0.243 299 I C 2.700 178.723 176.117 -0.157 0.000 1.085 299 I CA 2.067 63.240 61.300 -0.212 0.000 1.347 299 I CB -1.712 36.198 38.000 -0.150 0.000 1.044 299 I HN 0.327 nan 8.210 nan 0.000 0.408 300 A N 0.721 123.465 122.820 -0.127 0.000 1.933 300 A HA -0.090 4.230 4.320 -0.001 0.000 0.218 300 A C 2.566 180.088 177.584 -0.104 0.000 1.175 300 A CA 1.845 53.823 52.037 -0.097 0.000 0.628 300 A CB -0.694 18.266 19.000 -0.066 0.000 0.814 300 A HN 0.421 nan 8.150 nan 0.000 0.444 301 A N -0.483 122.263 122.820 -0.123 0.000 1.902 301 A HA 0.011 4.330 4.320 -0.001 0.000 0.217 301 A C 2.236 179.743 177.584 -0.127 0.000 1.181 301 A CA 1.777 53.741 52.037 -0.122 0.000 0.623 301 A CB -0.921 17.995 19.000 -0.140 0.000 0.818 301 A HN 0.366 nan 8.150 nan 0.000 0.443 302 V N -0.652 119.174 119.914 -0.147 0.000 2.237 302 V HA -0.340 3.779 4.120 -0.001 0.000 0.245 302 V C 2.692 178.715 176.094 -0.118 0.000 1.046 302 V CA 2.129 64.344 62.300 -0.141 0.000 1.007 302 V CB -1.259 30.468 31.823 -0.161 0.000 0.638 302 V HN 0.707 nan 8.190 nan 0.000 0.445 303 C N 0.297 119.526 119.300 -0.119 0.000 2.401 303 C HA -0.160 4.299 4.460 -0.001 0.000 0.276 303 C C 3.107 178.046 174.990 -0.086 0.000 1.233 303 C CA 0.888 59.844 59.018 -0.104 0.000 1.753 303 C CB -1.471 26.206 27.740 -0.105 0.000 2.029 303 C HN 0.656 nan 8.230 nan 0.000 0.478 304 A N 0.222 122.992 122.820 -0.084 0.000 1.858 304 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 304 A C 2.197 179.774 177.584 -0.012 0.000 1.190 304 A CA 2.602 54.598 52.037 -0.067 0.000 0.617 304 A CB -1.341 17.621 19.000 -0.062 0.000 0.827 304 A HN 0.546 nan 8.150 nan 0.000 0.443 305 T N -0.330 114.202 114.554 -0.038 0.000 2.721 305 T HA -0.177 4.173 4.350 -0.001 0.000 0.268 305 T C 1.860 176.597 174.700 0.061 0.000 1.038 305 T CA 1.923 64.011 62.100 -0.020 0.000 1.145 305 T CB -0.267 68.538 68.868 -0.105 0.000 0.858 305 T HN 0.514 nan 8.240 nan 0.000 0.459 306 E N 0.334 120.538 120.200 0.007 0.000 2.150 306 E HA -0.034 4.315 4.350 -0.001 0.000 0.193 306 E C 2.204 178.829 176.600 0.043 0.000 0.985 306 E CA 0.372 56.779 56.400 0.013 0.000 0.814 306 E CB -0.432 29.244 29.700 -0.040 0.000 0.752 306 E HN 0.280 nan 8.360 nan 0.000 0.466 307 V N 0.491 120.423 119.914 0.030 0.000 2.358 307 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 307 V C 2.021 178.218 176.094 0.173 0.000 1.047 307 V CA 1.748 64.059 62.300 0.017 0.000 1.035 307 V CB -0.567 31.172 31.823 -0.140 0.000 0.658 307 V HN 0.272 nan 8.190 nan 0.000 0.452 308 F N 1.168 121.199 119.950 0.134 0.000 2.069 308 F HA -0.198 4.329 4.527 -0.001 0.000 0.298 308 F C 2.422 178.319 175.800 0.161 0.000 1.113 308 F CA 1.951 60.107 58.000 0.260 0.000 1.214 308 F CB -0.265 38.835 39.000 0.167 0.000 0.978 308 F HN -0.006 nan 8.300 nan 0.000 0.474 309 K N 0.367 120.908 120.400 0.235 0.000 2.020 309 K HA -0.211 4.109 4.320 -0.001 0.000 0.212 309 K C 2.127 178.724 176.600 -0.005 0.000 1.050 309 K CA 2.216 58.584 56.287 0.136 0.000 0.929 309 K CB -0.538 32.060 32.500 0.163 0.000 0.714 309 K HN 0.352 nan 8.250 nan 0.000 0.443 310 I N 0.809 121.380 120.570 0.002 0.000 2.264 310 I HA -0.271 3.899 4.170 -0.001 0.000 0.248 310 I C 2.321 178.405 176.117 -0.055 0.000 1.111 310 I CA 1.141 62.418 61.300 -0.039 0.000 1.382 310 I CB -0.298 37.694 38.000 -0.013 0.000 1.060 310 I HN 0.190 nan 8.210 nan 0.000 0.418 311 A N -0.044 122.755 122.820 -0.036 0.000 2.123 311 A HA -0.074 4.246 4.320 -0.001 0.000 0.214 311 A C 2.076 179.550 177.584 -0.184 0.000 1.152 311 A CA 1.589 53.591 52.037 -0.060 0.000 0.728 311 A CB -0.505 18.549 19.000 0.090 0.000 0.814 311 A HN 0.506 nan 8.150 nan 0.000 0.464 312 T N -6.486 107.914 114.554 -0.256 0.000 2.975 312 T HA 0.225 4.575 4.350 -0.001 0.000 0.261 312 T C 0.725 175.437 174.700 0.020 0.000 0.984 312 T CA 0.921 62.890 62.100 -0.219 0.000 0.911 312 T CB 0.003 68.572 68.868 -0.499 0.000 1.127 312 T HN 0.449 nan 8.240 nan 0.000 0.514 313 S N 0.656 116.356 115.700 -0.001 0.000 3.358 313 S HA -0.258 4.211 4.470 -0.001 0.000 0.309 313 S C 1.553 176.289 174.600 0.228 0.000 1.247 313 S CA 0.672 58.930 58.200 0.098 0.000 0.961 313 S CB -1.842 61.464 63.200 0.175 0.000 1.074 313 S HN 1.102 nan 8.310 nan 0.000 0.625 314 A N -1.283 121.616 122.820 0.132 0.000 2.070 314 A HA 0.289 4.609 4.320 -0.001 0.000 0.220 314 A C 0.601 177.897 177.584 -0.481 0.000 1.159 314 A CA 1.401 53.340 52.037 -0.163 0.000 0.656 314 A CB -0.069 19.064 19.000 0.222 0.000 0.800 314 A HN 0.693 nan 8.150 nan 0.000 0.453 315 Y N -2.921 117.422 120.300 0.071 0.000 2.840 315 Y HA 0.525 5.075 4.550 -0.001 0.000 0.324 315 Y C -0.805 175.171 175.900 0.127 0.000 1.378 315 Y CA -1.356 56.801 58.100 0.096 0.000 1.077 315 Y CB 0.974 39.482 38.460 0.081 0.000 1.361 315 Y HN -0.030 nan 8.280 nan 0.000 0.459 316 I N 2.329 123.100 120.570 0.336 0.000 2.342 316 I HA 0.396 4.566 4.170 -0.001 0.000 0.291 316 I C -2.574 173.634 176.117 0.151 0.000 1.010 316 I CA -1.999 59.446 61.300 0.242 0.000 1.308 316 I CB 0.209 38.341 38.000 0.219 0.000 1.400 316 I HN 0.159 nan 8.210 nan 0.000 0.488 317 P HA -0.003 nan 4.420 nan 0.000 0.265 317 P C -0.316 176.994 177.300 0.017 0.000 1.187 317 P CA -0.395 62.729 63.100 0.039 0.000 0.766 317 P CB 0.373 32.078 31.700 0.009 0.000 0.820 318 L N 3.165 124.378 121.223 -0.017 0.000 2.554 318 L HA -0.019 4.321 4.340 -0.001 0.000 0.293 318 L C 0.524 177.363 176.870 -0.052 0.000 1.252 318 L CA 0.710 55.521 54.840 -0.049 0.000 0.862 318 L CB -0.394 41.613 42.059 -0.086 0.000 1.113 318 L HN 0.285 nan 8.230 nan 0.000 0.510 319 N N 3.515 122.177 118.700 -0.062 0.000 3.124 319 N HA 0.013 4.752 4.740 -0.001 0.000 0.284 319 N C 0.462 175.905 175.510 -0.112 0.000 1.209 319 N CA 0.775 53.788 53.050 -0.063 0.000 1.149 319 N CB -0.759 37.703 38.487 -0.041 0.000 1.434 319 N HN 0.815 nan 8.380 nan 0.000 0.529 320 N N -0.268 118.371 118.700 -0.102 0.000 2.717 320 N HA -0.299 4.440 4.740 -0.001 0.000 0.248 320 N C -0.884 174.541 175.510 -0.142 0.000 1.099 320 N CA 1.484 54.468 53.050 -0.109 0.000 0.843 320 N CB -1.831 36.619 38.487 -0.061 0.000 1.155 320 N HN 0.520 nan 8.380 nan 0.000 0.580 321 Y N -1.463 118.592 120.300 -0.409 0.000 2.393 321 Y HA 0.472 5.022 4.550 -0.001 0.000 0.320 321 Y C -1.849 173.771 175.900 -0.467 0.000 1.241 321 Y CA -1.275 56.505 58.100 -0.533 0.000 1.122 321 Y CB 0.914 38.771 38.460 -1.006 0.000 1.322 321 Y HN 0.300 nan 8.280 nan 0.000 0.441 322 L N 6.488 127.552 121.223 -0.265 0.000 2.455 322 L HA 0.902 5.241 4.340 -0.001 0.000 0.264 322 L C -2.041 174.848 176.870 0.031 0.000 0.968 322 L CA -1.071 53.724 54.840 -0.075 0.000 0.827 322 L CB 1.811 43.790 42.059 -0.134 0.000 1.317 322 L HN 0.282 nan 8.230 nan 0.000 0.407 323 V N 4.196 124.229 119.914 0.197 0.000 2.715 323 V HA 0.631 4.751 4.120 -0.001 0.000 0.310 323 V C -0.797 175.428 176.094 0.219 0.000 1.054 323 V CA -0.555 61.899 62.300 0.257 0.000 0.928 323 V CB 1.640 33.684 31.823 0.369 0.000 1.007 323 V HN 0.758 nan 8.190 nan 0.000 0.437 324 F N 2.855 122.842 119.950 0.060 0.000 2.576 324 F HA 0.660 5.186 4.527 -0.001 0.000 0.313 324 F C -0.584 175.290 175.800 0.122 0.000 1.078 324 F CA -0.393 57.636 58.000 0.048 0.000 0.921 324 F CB 1.997 41.010 39.000 0.022 0.000 1.232 324 F HN 0.593 nan 8.300 nan 0.000 0.459 325 N N 4.055 122.363 118.700 -0.653 0.000 2.455 325 N HA 0.177 4.916 4.740 -0.001 0.000 0.285 325 N C -0.951 174.205 175.510 -0.589 0.000 1.080 325 N CA -0.488 52.337 53.050 -0.375 0.000 0.932 325 N CB 1.578 40.058 38.487 -0.012 0.000 1.610 325 N HN 0.670 nan 8.380 nan 0.000 0.493 326 D N 1.774 121.974 120.400 -0.333 0.000 2.324 326 D HA -0.012 4.627 4.640 -0.001 0.000 0.212 326 D C 2.137 178.287 176.300 -0.251 0.000 0.984 326 D CA 0.812 54.661 54.000 -0.252 0.000 0.885 326 D CB 0.434 41.213 40.800 -0.034 0.000 0.996 326 D HN 0.430 nan 8.370 nan 0.000 0.505 327 V N 0.101 119.897 119.914 -0.197 0.000 2.277 327 V HA -0.214 3.905 4.120 -0.001 0.000 0.253 327 V C 0.953 176.947 176.094 -0.167 0.000 1.067 327 V CA 1.727 63.904 62.300 -0.206 0.000 1.047 327 V CB -0.541 31.244 31.823 -0.064 0.000 0.649 327 V HN -0.002 nan 8.190 nan 0.000 0.447 328 D N 0.127 120.451 120.400 -0.127 0.000 2.432 328 D HA 0.493 5.133 4.640 -0.001 0.000 0.265 328 D C 0.585 176.827 176.300 -0.097 0.000 1.160 328 D CA 0.946 54.883 54.000 -0.106 0.000 0.911 328 D CB 0.460 41.203 40.800 -0.094 0.000 1.052 328 D HN 0.666 nan 8.370 nan 0.000 0.508 329 G N 2.445 111.188 108.800 -0.095 0.000 2.528 329 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.262 329 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.262 329 G C -0.685 174.166 174.900 -0.081 0.000 1.200 329 G CA -0.044 45.015 45.100 -0.069 0.000 0.951 329 G HN 0.530 nan 8.290 nan 0.000 0.566 330 L N -0.367 120.830 121.223 -0.042 0.000 2.404 330 L HA 0.638 4.977 4.340 -0.001 0.000 0.272 330 L C -0.900 175.984 176.870 0.023 0.000 0.980 330 L CA -0.829 53.972 54.840 -0.064 0.000 0.836 330 L CB 1.956 44.021 42.059 0.009 0.000 1.238 330 L HN 0.711 nan 8.230 nan 0.000 0.408 331 Y N 2.859 123.028 120.300 -0.218 0.000 2.462 331 Y HA 0.750 5.299 4.550 -0.001 0.000 0.346 331 Y C -0.516 175.352 175.900 -0.053 0.000 0.976 331 Y CA -0.769 57.269 58.100 -0.103 0.000 1.044 331 Y CB 2.248 40.654 38.460 -0.089 0.000 1.230 331 Y HN 0.555 nan 8.280 nan 0.000 0.455 332 T N 2.891 117.053 114.554 -0.654 0.000 3.032 332 T HA 0.400 4.749 4.350 -0.001 0.000 0.312 332 T C -2.072 172.314 174.700 -0.523 0.000 1.078 332 T CA -0.656 61.189 62.100 -0.425 0.000 1.028 332 T CB 1.192 70.030 68.868 -0.050 0.000 1.091 332 T HN 0.594 nan 8.240 nan 0.000 0.457 333 Y N 2.168 122.208 120.300 -0.432 0.000 2.350 333 Y HA 0.628 5.178 4.550 -0.001 0.000 0.338 333 Y C -0.682 175.268 175.900 0.084 0.000 0.961 333 Y CA -0.736 57.266 58.100 -0.163 0.000 1.100 333 Y CB 1.834 40.277 38.460 -0.028 0.000 1.179 333 Y HN 0.918 nan 8.280 nan 0.000 0.454 334 T N 7.959 122.250 114.554 -0.437 0.000 2.823 334 T HA 0.684 5.033 4.350 -0.001 0.000 0.279 334 T C -1.270 173.110 174.700 -0.533 0.000 0.998 334 T CA -0.376 61.505 62.100 -0.365 0.000 0.994 334 T CB 0.750 69.504 68.868 -0.190 0.000 0.960 334 T HN 0.517 nan 8.240 nan 0.000 0.448 335 F N -0.501 119.174 119.950 -0.458 0.000 2.693 335 F HA 0.599 5.126 4.527 -0.001 0.000 0.309 335 F C -0.991 174.740 175.800 -0.115 0.000 1.129 335 F CA -1.272 56.522 58.000 -0.344 0.000 0.948 335 F CB 1.511 40.236 39.000 -0.459 0.000 1.315 335 F HN 0.498 nan 8.300 nan 0.000 0.447 336 E N 2.376 122.618 120.200 0.070 0.000 2.014 336 E HA 0.586 4.936 4.350 -0.001 0.000 0.275 336 E C -0.590 176.105 176.600 0.158 0.000 0.997 336 E CA -0.740 55.663 56.400 0.005 0.000 0.804 336 E CB 0.983 30.711 29.700 0.046 0.000 1.090 336 E HN 0.963 nan 8.360 nan 0.000 0.401 337 A N 5.195 128.031 122.820 0.026 0.000 2.488 337 A HA 0.066 4.386 4.320 -0.001 0.000 0.249 337 A C 0.246 177.903 177.584 0.121 0.000 1.083 337 A CA -0.260 51.909 52.037 0.221 0.000 0.768 337 A CB 0.316 19.382 19.000 0.110 0.000 1.017 337 A HN 0.667 nan 8.150 nan 0.000 0.496 338 E N 1.303 121.577 120.200 0.124 0.000 2.384 338 E HA 0.012 4.362 4.350 -0.001 0.000 0.266 338 E C 0.256 176.893 176.600 0.061 0.000 1.012 338 E CA 0.009 56.456 56.400 0.077 0.000 0.901 338 E CB 0.675 30.414 29.700 0.064 0.000 0.967 338 E HN 0.605 nan 8.360 nan 0.000 0.435 339 R N 3.628 124.159 120.500 0.051 0.000 2.220 339 R HA 0.055 4.395 4.340 -0.001 0.000 0.340 339 R C -0.209 176.116 176.300 0.042 0.000 1.076 339 R CA -0.361 55.766 56.100 0.045 0.000 0.920 339 R CB 0.233 30.559 30.300 0.043 0.000 1.062 339 R HN 0.262 nan 8.270 nan 0.000 0.469 340 K N 3.513 123.938 120.400 0.041 0.000 2.491 340 K HA -0.108 4.212 4.320 -0.001 0.000 0.279 340 K C 0.437 177.060 176.600 0.038 0.000 1.026 340 K CA 0.603 56.913 56.287 0.039 0.000 1.070 340 K CB 0.596 33.119 32.500 0.037 0.000 0.887 340 K HN 0.663 nan 8.250 nan 0.000 0.481 341 E N 1.580 121.801 120.200 0.036 0.000 2.478 341 E HA -0.140 4.210 4.350 -0.001 0.000 0.198 341 E C 0.514 177.134 176.600 0.033 0.000 1.046 341 E CA 0.716 57.136 56.400 0.033 0.000 0.870 341 E CB -0.080 29.638 29.700 0.030 0.000 0.818 341 E HN 0.622 nan 8.360 nan 0.000 0.527 342 N N -0.394 118.330 118.700 0.040 0.000 2.282 342 N HA 0.101 4.841 4.740 -0.001 0.000 0.240 342 N C -0.250 175.288 175.510 0.047 0.000 1.182 342 N CA -0.527 52.552 53.050 0.048 0.000 0.874 342 N CB 0.384 38.909 38.487 0.063 0.000 1.126 342 N HN -0.103 nan 8.380 nan 0.000 0.516 343 C N 2.305 121.628 119.300 0.038 0.000 2.601 343 C HA 0.120 4.580 4.460 -0.001 0.000 0.405 343 C C -0.675 174.333 174.990 0.030 0.000 1.441 343 C CA -1.138 57.900 59.018 0.033 0.000 1.555 343 C CB 0.250 28.010 27.740 0.032 0.000 2.450 343 C HN 0.440 nan 8.230 nan 0.000 0.614 344 P HA -0.117 nan 4.420 nan 0.000 0.218 344 P C 1.136 178.443 177.300 0.013 0.000 1.146 344 P CA 2.205 65.319 63.100 0.023 0.000 0.813 344 P CB 0.164 31.870 31.700 0.010 0.000 0.778 345 A N -0.512 122.313 122.820 0.009 0.000 1.864 345 A HA -0.092 4.228 4.320 -0.001 0.000 0.213 345 A C 2.142 179.733 177.584 0.012 0.000 1.266 345 A CA 1.311 53.348 52.037 -0.000 0.000 0.612 345 A CB -1.317 17.678 19.000 -0.008 0.000 0.940 345 A HN 0.380 nan 8.150 nan 0.000 0.463 346 C N 0.991 120.305 119.300 0.023 0.000 2.613 346 C HA 0.386 4.846 4.460 -0.001 0.000 0.273 346 C C 1.272 176.295 174.990 0.054 0.000 1.304 346 C CA -0.394 58.650 59.018 0.043 0.000 1.702 346 C CB -2.364 25.402 27.740 0.042 0.000 1.792 346 C HN 0.497 nan 8.230 nan 0.000 0.588 347 S N 0.862 116.582 115.700 0.033 0.000 2.466 347 S HA 0.067 4.537 4.470 -0.001 0.000 0.286 347 S C 1.234 175.825 174.600 -0.015 0.000 1.221 347 S CA -0.003 58.207 58.200 0.017 0.000 1.091 347 S CB 0.557 63.766 63.200 0.014 0.000 0.956 347 S HN 0.605 nan 8.310 nan 0.000 0.501 348 Q N 2.605 122.375 119.800 -0.049 0.000 2.103 348 Q HA -0.171 4.169 4.340 -0.001 0.000 0.213 348 Q C 0.532 176.396 176.000 -0.227 0.000 1.008 348 Q CA 1.755 57.422 55.803 -0.227 0.000 0.879 348 Q CB -0.268 28.307 28.738 -0.273 0.000 0.946 348 Q HN 0.847 nan 8.270 nan 0.000 0.413 349 L N -0.427 120.719 121.223 -0.129 0.000 2.347 349 L HA 0.371 4.711 4.340 -0.001 0.000 0.268 349 L C -2.012 174.833 176.870 -0.042 0.000 1.019 349 L CA -2.252 52.533 54.840 -0.093 0.000 0.806 349 L CB 0.536 42.549 42.059 -0.076 0.000 1.339 349 L HN -0.022 nan 8.230 nan 0.000 0.463 350 P HA 0.019 nan 4.420 nan 0.000 0.270 350 P C -1.172 176.140 177.300 0.020 0.000 1.223 350 P CA -0.311 62.789 63.100 0.002 0.000 0.785 350 P CB 0.380 32.081 31.700 0.003 0.000 0.923 351 Q N 2.053 121.879 119.800 0.044 0.000 2.452 351 Q HA 0.106 4.446 4.340 -0.001 0.000 0.230 351 Q C -0.632 175.417 176.000 0.082 0.000 1.180 351 Q CA 0.241 56.090 55.803 0.076 0.000 0.914 351 Q CB -1.182 27.620 28.738 0.107 0.000 1.408 351 Q HN 0.157 nan 8.270 nan 0.000 0.520 352 N N 5.128 123.860 118.700 0.054 0.000 2.663 352 N HA 0.213 4.953 4.740 -0.001 0.000 0.250 352 N C -1.297 174.223 175.510 0.017 0.000 1.129 352 N CA -0.146 52.920 53.050 0.027 0.000 0.995 352 N CB 0.094 38.583 38.487 0.003 0.000 1.324 352 N HN 0.479 nan 8.380 nan 0.000 0.512 353 I N -0.173 120.410 120.570 0.022 0.000 2.627 353 I HA 0.283 4.452 4.170 -0.001 0.000 0.288 353 I C -0.785 175.096 176.117 -0.394 0.000 1.202 353 I CA -0.765 60.470 61.300 -0.108 0.000 1.050 353 I CB 1.303 39.414 38.000 0.185 0.000 1.264 353 I HN 0.266 nan 8.210 nan 0.000 0.429 354 Q N 4.066 123.462 119.800 -0.673 0.000 2.303 354 Q HA 0.504 4.844 4.340 -0.001 0.000 0.257 354 Q C -1.144 174.160 176.000 -1.161 0.000 0.941 354 Q CA -0.412 54.999 55.803 -0.652 0.000 0.931 354 Q CB 1.274 29.799 28.738 -0.355 0.000 1.215 354 Q HN 0.648 nan 8.270 nan 0.000 0.437 355 F N 1.713 121.544 119.950 -0.198 0.000 2.684 355 F HA 0.244 4.771 4.527 -0.001 0.000 0.298 355 F C 0.014 175.733 175.800 -0.136 0.000 1.120 355 F CA -0.253 57.606 58.000 -0.234 0.000 1.332 355 F CB 0.896 39.609 39.000 -0.479 0.000 0.986 355 F HN 0.469 nan 8.300 nan 0.000 0.524 356 S N -2.533 113.098 115.700 -0.115 0.000 2.608 356 S HA 0.303 4.772 4.470 -0.001 0.000 0.285 356 S C -2.568 171.989 174.600 -0.071 0.000 1.108 356 S CA -1.096 57.071 58.200 -0.056 0.000 0.858 356 S CB 1.185 64.380 63.200 -0.008 0.000 1.077 356 S HN -0.188 nan 8.310 nan 0.000 0.450 357 P HA 0.015 nan 4.420 nan 0.000 0.212 357 P C 0.736 178.012 177.300 -0.039 0.000 1.178 357 P CA 2.245 65.316 63.100 -0.049 0.000 0.915 357 P CB 0.058 31.738 31.700 -0.034 0.000 0.788 358 S N -4.511 111.174 115.700 -0.025 0.000 3.895 358 S HA 0.429 4.898 4.470 -0.001 0.000 0.096 358 S C 0.351 174.946 174.600 -0.009 0.000 0.858 358 S CA 0.122 58.312 58.200 -0.017 0.000 0.827 358 S CB -1.304 61.885 63.200 -0.018 0.000 1.078 358 S HN 0.175 nan 8.310 nan 0.000 0.717 359 A N 2.640 125.456 122.820 -0.005 0.000 2.889 359 A HA 0.616 4.936 4.320 -0.001 0.000 0.200 359 A C 0.774 178.358 177.584 0.000 0.000 1.799 359 A CA 0.540 52.576 52.037 -0.002 0.000 0.670 359 A CB -0.114 18.886 19.000 0.000 0.000 1.241 359 A HN 0.634 nan 8.150 nan 0.000 0.479 360 K N -2.020 118.382 120.400 0.003 0.000 2.380 360 K HA 0.571 4.891 4.320 -0.001 0.000 0.243 360 K C 0.730 177.334 176.600 0.007 0.000 1.071 360 K CA -0.565 55.723 56.287 0.001 0.000 0.942 360 K CB 0.786 33.284 32.500 -0.004 0.000 1.324 360 K HN 0.308 nan 8.250 nan 0.000 0.517 361 L N 0.888 122.109 121.223 -0.002 0.000 2.046 361 L HA -0.099 4.241 4.340 -0.001 0.000 0.203 361 L C 1.958 178.833 176.870 0.008 0.000 1.111 361 L CA 1.251 56.092 54.840 0.002 0.000 0.769 361 L CB -0.319 41.727 42.059 -0.021 0.000 0.914 361 L HN 0.465 nan 8.230 nan 0.000 0.448 362 Q N 0.726 120.512 119.800 -0.023 0.000 2.345 362 Q HA -0.324 4.016 4.340 -0.001 0.000 0.219 362 Q C 1.555 177.575 176.000 0.034 0.000 1.019 362 Q CA 2.157 57.952 55.803 -0.013 0.000 0.966 362 Q CB -0.724 28.000 28.738 -0.023 0.000 0.988 362 Q HN 0.659 nan 8.270 nan 0.000 0.419 363 E N -0.478 119.747 120.200 0.041 0.000 2.352 363 E HA 0.005 4.354 4.350 -0.001 0.000 0.197 363 E C 1.161 177.826 176.600 0.108 0.000 1.224 363 E CA 0.345 56.785 56.400 0.067 0.000 1.118 363 E CB 0.037 29.767 29.700 0.049 0.000 1.198 363 E HN 0.308 nan 8.360 nan 0.000 0.454 364 V N -3.814 116.176 119.914 0.127 0.000 3.474 364 V HA -0.008 4.112 4.120 -0.001 0.000 0.195 364 V C 1.659 177.863 176.094 0.184 0.000 1.431 364 V CA -0.318 62.097 62.300 0.191 0.000 1.268 364 V CB -0.451 31.466 31.823 0.158 0.000 1.195 364 V HN 0.154 nan 8.190 nan 0.000 0.542 365 L N 1.796 123.097 121.223 0.130 0.000 2.043 365 L HA -0.156 4.183 4.340 -0.001 0.000 0.212 365 L C 2.133 179.058 176.870 0.092 0.000 1.075 365 L CA 2.699 57.613 54.840 0.123 0.000 0.752 365 L CB -0.758 41.379 42.059 0.130 0.000 0.891 365 L HN 0.409 nan 8.230 nan 0.000 0.432 366 D N -1.955 118.497 120.400 0.088 0.000 2.149 366 D HA -0.215 4.425 4.640 -0.001 0.000 0.201 366 D C 1.948 178.284 176.300 0.060 0.000 0.972 366 D CA 1.310 55.348 54.000 0.063 0.000 0.835 366 D CB -0.240 40.595 40.800 0.059 0.000 0.966 366 D HN 0.488 nan 8.370 nan 0.000 0.476 367 Y N 2.019 122.302 120.300 -0.028 0.000 2.181 367 Y HA -0.160 4.389 4.550 -0.001 0.000 0.288 367 Y C 2.095 177.941 175.900 -0.090 0.000 1.146 367 Y CA 1.254 59.298 58.100 -0.093 0.000 1.164 367 Y CB -0.523 37.857 38.460 -0.133 0.000 0.982 367 Y HN -0.116 nan 8.280 nan 0.000 0.515 368 L N -0.947 120.132 121.223 -0.240 0.000 2.072 368 L HA -0.175 4.164 4.340 -0.001 0.000 0.205 368 L C 2.290 179.038 176.870 -0.204 0.000 1.079 368 L CA 1.757 56.415 54.840 -0.304 0.000 0.752 368 L CB -0.885 41.125 42.059 -0.081 0.000 0.906 368 L HN 0.167 nan 8.230 nan 0.000 0.436 369 T N -0.480 114.015 114.554 -0.099 0.000 2.904 369 T HA -0.041 4.308 4.350 -0.001 0.000 0.267 369 T C 1.525 176.182 174.700 -0.072 0.000 1.059 369 T CA 1.085 63.149 62.100 -0.060 0.000 1.137 369 T CB -0.059 68.805 68.868 -0.007 0.000 0.879 369 T HN 0.346 nan 8.240 nan 0.000 0.467 370 N N 0.495 119.143 118.700 -0.087 0.000 2.348 370 N HA 0.096 4.836 4.740 -0.001 0.000 0.183 370 N C 0.666 176.116 175.510 -0.101 0.000 1.094 370 N CA 0.050 53.059 53.050 -0.068 0.000 0.885 370 N CB 0.097 38.567 38.487 -0.028 0.000 1.065 370 N HN 0.160 nan 8.380 nan 0.000 0.472 371 S N 1.292 116.874 115.700 -0.197 0.000 2.571 371 S HA 0.185 4.654 4.470 -0.001 0.000 0.297 371 S C 1.451 175.958 174.600 -0.155 0.000 1.234 371 S CA -0.143 57.922 58.200 -0.225 0.000 1.120 371 S CB 0.306 63.178 63.200 -0.545 0.000 0.923 371 S HN 0.356 nan 8.310 nan 0.000 0.504 372 A N 4.444 127.215 122.820 -0.081 0.000 2.093 372 A HA -0.120 4.200 4.320 -0.001 0.000 0.222 372 A C 2.240 179.797 177.584 -0.044 0.000 1.162 372 A CA 2.059 54.069 52.037 -0.046 0.000 0.655 372 A CB -0.807 18.181 19.000 -0.019 0.000 0.805 372 A HN 1.241 nan 8.150 nan 0.000 0.461 373 S N -1.770 113.889 115.700 -0.068 0.000 2.575 373 S HA 0.353 4.823 4.470 -0.001 0.000 0.215 373 S C 1.259 175.815 174.600 -0.074 0.000 0.966 373 S CA 0.543 58.714 58.200 -0.048 0.000 0.911 373 S CB -0.156 63.026 63.200 -0.029 0.000 0.780 373 S HN 0.466 nan 8.310 nan 0.000 0.514 374 L N -0.669 120.476 121.223 -0.131 0.000 2.641 374 L HA 0.322 4.661 4.340 -0.001 0.000 0.207 374 L C 0.525 177.334 176.870 -0.102 0.000 1.049 374 L CA -0.234 54.520 54.840 -0.144 0.000 0.866 374 L CB -0.763 41.127 42.059 -0.281 0.000 1.264 374 L HN 0.142 nan 8.230 nan 0.000 0.483 375 Q N 1.686 121.421 119.800 -0.109 0.000 2.388 375 Q HA -0.200 4.139 4.340 -0.001 0.000 0.346 375 Q C -0.203 175.764 176.000 -0.054 0.000 1.319 375 Q CA 0.528 56.289 55.803 -0.069 0.000 1.023 375 Q CB -1.285 27.432 28.738 -0.036 0.000 1.247 375 Q HN 0.476 nan 8.270 nan 0.000 0.411 376 M N 0.245 119.806 119.600 -0.066 0.000 2.227 376 M HA 0.301 4.781 4.480 -0.001 0.000 0.316 376 M C 0.306 176.590 176.300 -0.026 0.000 1.144 376 M CA 0.150 55.426 55.300 -0.040 0.000 1.121 376 M CB 0.931 33.505 32.600 -0.042 0.000 1.440 376 M HN 0.073 nan 8.290 nan 0.000 0.473 377 K N 0.317 120.708 120.400 -0.014 0.000 2.259 377 K HA 0.278 4.597 4.320 -0.001 0.000 0.252 377 K C -0.336 176.259 176.600 -0.009 0.000 0.936 377 K CA -0.404 55.877 56.287 -0.010 0.000 0.810 377 K CB 1.334 33.828 32.500 -0.010 0.000 1.143 377 K HN 0.812 nan 8.250 nan 0.000 0.427 378 S N 1.743 117.439 115.700 -0.006 0.000 3.290 378 S HA -0.124 4.345 4.470 -0.001 0.000 0.255 378 S C -2.371 172.206 174.600 -0.039 0.000 0.721 378 S CA -0.105 58.083 58.200 -0.020 0.000 1.365 378 S CB -1.725 61.452 63.200 -0.040 0.000 0.903 378 S HN 0.477 nan 8.310 nan 0.000 0.410 379 P HA 0.669 nan 4.420 nan 0.000 0.288 379 P C -0.249 177.029 177.300 -0.037 0.000 1.291 379 P CA -0.047 63.047 63.100 -0.010 0.000 0.766 379 P CB 0.363 32.074 31.700 0.018 0.000 1.242 380 A N -0.303 122.513 122.820 -0.008 0.000 2.513 380 A HA 0.614 4.934 4.320 -0.001 0.000 0.296 380 A C -1.214 176.391 177.584 0.035 0.000 1.052 380 A CA -0.427 51.603 52.037 -0.012 0.000 0.714 380 A CB 0.482 19.453 19.000 -0.049 0.000 1.279 380 A HN 0.318 nan 8.150 nan 0.000 0.397 381 I N 1.382 121.993 120.570 0.069 0.000 2.412 381 I HA 0.557 4.726 4.170 -0.001 0.000 0.296 381 I C 0.062 176.215 176.117 0.060 0.000 0.987 381 I CA -0.439 60.904 61.300 0.072 0.000 1.180 381 I CB 2.280 40.338 38.000 0.096 0.000 1.340 381 I HN 0.544 nan 8.210 nan 0.000 0.455 382 T N 4.579 119.162 114.554 0.048 0.000 2.824 382 T HA 0.724 5.073 4.350 -0.001 0.000 0.282 382 T C -0.306 174.417 174.700 0.037 0.000 0.993 382 T CA -0.367 61.757 62.100 0.039 0.000 0.967 382 T CB 1.727 70.612 68.868 0.029 0.000 0.960 382 T HN 0.729 nan 8.240 nan 0.000 0.441 383 A N 2.820 125.661 122.820 0.034 0.000 2.347 383 A HA 0.992 5.312 4.320 -0.001 0.000 0.301 383 A C -0.049 177.549 177.584 0.023 0.000 1.163 383 A CA -0.578 51.477 52.037 0.029 0.000 0.860 383 A CB 1.395 20.413 19.000 0.030 0.000 1.367 383 A HN 0.730 nan 8.150 nan 0.000 0.461 390 R N -0.014 120.498 120.500 0.020 0.000 2.828 390 R HA 0.623 4.963 4.340 -0.001 0.000 0.264 390 R C -0.240 176.077 176.300 0.028 0.000 1.022 390 R CA -0.660 55.454 56.100 0.023 0.000 1.021 390 R CB 1.349 31.663 30.300 0.023 0.000 1.163 390 R HN 0.095 nan 8.270 nan 0.000 0.494 391 T N 1.813 116.386 114.554 0.031 0.000 2.795 391 T HA 0.291 4.640 4.350 -0.001 0.000 0.282 391 T C 0.989 175.722 174.700 0.054 0.000 0.980 391 T CA -0.409 61.714 62.100 0.038 0.000 1.012 391 T CB 0.954 69.840 68.868 0.030 0.000 0.936 391 T HN 0.337 nan 8.240 nan 0.000 0.457 392 L N 1.732 122.999 121.223 0.072 0.000 2.157 392 L HA 0.382 4.722 4.340 -0.001 0.000 0.201 392 L C 0.187 177.158 176.870 0.168 0.000 1.221 392 L CA 0.113 55.014 54.840 0.101 0.000 0.915 392 L CB -0.110 42.009 42.059 0.100 0.000 1.013 392 L HN 0.521 nan 8.230 nan 0.000 0.522 393 Y N -0.986 119.327 120.300 0.021 0.000 2.457 393 Y HA 0.405 4.955 4.550 -0.001 0.000 0.333 393 Y C 0.193 176.105 175.900 0.019 0.000 1.119 393 Y CA -0.871 57.240 58.100 0.019 0.000 1.143 393 Y CB 1.695 40.168 38.460 0.021 0.000 1.230 393 Y HN 0.038 nan 8.280 nan 0.000 0.469 394 L N 1.596 122.574 121.223 -0.408 0.000 2.688 394 L HA 0.138 4.478 4.340 -0.001 0.000 0.216 394 L C 0.962 177.548 176.870 -0.473 0.000 1.036 394 L CA 1.044 55.678 54.840 -0.344 0.000 0.906 394 L CB -0.045 41.924 42.059 -0.151 0.000 1.501 394 L HN 0.867 nan 8.230 nan 0.000 0.489 395 Q N -1.251 118.209 119.800 -0.567 0.000 2.281 395 Q HA -0.287 4.053 4.340 -0.001 0.000 0.148 395 Q C 0.845 176.738 176.000 -0.179 0.000 1.069 395 Q CA 1.314 56.892 55.803 -0.375 0.000 1.297 395 Q CB -2.078 26.429 28.738 -0.386 0.000 1.268 395 Q HN 0.513 nan 8.270 nan 0.000 0.952 601 T N -0.569 113.985 114.554 0.001 0.000 2.896 601 T HA 0.305 4.655 4.350 -0.001 0.000 0.263 601 T C 2.222 176.928 174.700 0.010 0.000 1.050 601 T CA 3.485 65.590 62.100 0.008 0.000 1.140 601 T CB -0.605 68.267 68.868 0.007 0.000 0.877 601 T HN 1.979 nan 8.240 nan 0.000 0.457 602 S N 0.981 116.682 115.700 0.002 0.000 2.374 602 S HA 0.164 4.633 4.470 -0.001 0.000 0.227 602 S C 2.441 177.043 174.600 0.003 0.000 1.037 602 S CA 2.810 61.011 58.200 0.001 0.000 1.024 602 S CB -1.216 61.980 63.200 -0.007 0.000 0.861 602 S HN 0.926 nan 8.310 nan 0.000 0.456 603 I N 0.776 121.339 120.570 -0.012 0.000 2.086 603 I HA 0.221 4.391 4.170 -0.001 0.000 0.233 603 I C 2.665 178.807 176.117 0.041 0.000 1.060 603 I CA 2.697 63.982 61.300 -0.024 0.000 1.326 603 I CB -2.096 35.859 38.000 -0.074 0.000 1.067 603 I HN 0.680 nan 8.210 nan 0.000 0.398 604 E N 0.376 120.603 120.200 0.045 0.000 2.330 604 E HA -0.482 3.868 4.350 -0.001 0.000 0.239 604 E C 2.237 178.881 176.600 0.074 0.000 1.097 604 E CA 4.637 61.077 56.400 0.066 0.000 1.031 604 E CB -1.942 27.783 29.700 0.041 0.000 0.885 604 E HN 1.555 nan 8.360 nan 0.000 0.479 605 E N -0.425 119.807 120.200 0.054 0.000 2.065 605 E HA -0.196 4.154 4.350 -0.001 0.000 0.201 605 E C 2.440 179.081 176.600 0.069 0.000 1.016 605 E CA 4.051 60.480 56.400 0.050 0.000 0.818 605 E CB -1.215 28.507 29.700 0.037 0.000 0.749 605 E HN 1.112 nan 8.360 nan 0.000 0.453 606 R N -0.424 120.134 120.500 0.096 0.000 2.189 606 R HA 0.393 4.732 4.340 -0.001 0.000 0.203 606 R C 2.459 178.914 176.300 0.258 0.000 1.012 606 R CA 1.471 57.655 56.100 0.141 0.000 1.015 606 R CB -1.356 29.030 30.300 0.142 0.000 0.938 606 R HN 0.826 nan 8.270 nan 0.000 0.472 607 T N 0.784 115.517 114.554 0.298 0.000 4.492 607 T HA 0.533 4.883 4.350 -0.001 0.000 0.222 607 T C 0.578 175.414 174.700 0.226 0.000 0.836 607 T CA 1.054 63.459 62.100 0.508 0.000 0.900 607 T CB -1.182 67.881 68.868 0.325 0.000 1.399 607 T HN 1.210 nan 8.240 nan 0.000 0.877 701 E N 0.533 120.731 120.200 -0.003 0.000 2.474 701 E HA 0.539 4.889 4.350 -0.001 0.000 0.215 701 E C 2.203 178.804 176.600 0.000 0.000 0.867 701 E CA 1.530 57.929 56.400 -0.001 0.000 1.135 701 E CB -0.289 29.409 29.700 -0.002 0.000 1.147 701 E HN 1.810 nan 8.360 nan 0.000 0.534 702 L N 0.708 121.932 121.223 0.001 0.000 2.017 702 L HA 0.348 4.688 4.340 -0.001 0.000 0.208 702 L C 2.919 179.792 176.870 0.005 0.000 1.073 702 L CA 2.693 57.534 54.840 0.003 0.000 0.745 702 L CB -1.503 40.558 42.059 0.003 0.000 0.894 702 L HN 0.496 nan 8.230 nan 0.000 0.432 703 G N -1.023 107.781 108.800 0.007 0.000 2.430 703 G HA2 0.258 4.217 3.960 -0.001 0.000 0.216 703 G HA3 0.258 4.217 3.960 -0.001 0.000 0.216 703 G C 1.387 176.294 174.900 0.011 0.000 1.146 703 G CA 1.171 46.278 45.100 0.011 0.000 0.793 703 G HN 1.321 nan 8.290 nan 0.000 0.537 704 L N -0.089 121.139 121.223 0.008 0.000 2.798 704 L HA 0.738 5.078 4.340 -0.001 0.000 0.254 704 L C 1.808 178.680 176.870 0.003 0.000 1.176 704 L CA 1.397 56.242 54.840 0.008 0.000 0.991 704 L CB -1.236 40.826 42.059 0.005 0.000 1.225 704 L HN 0.676 nan 8.230 nan 0.000 0.420 705 V N -3.376 116.540 119.914 0.003 0.000 3.093 705 V HA 0.312 4.431 4.120 -0.001 0.000 0.251 705 V C 0.881 176.976 176.094 0.002 0.000 1.719 705 V CA 1.171 63.471 62.300 0.000 0.000 1.026 705 V CB -0.985 30.838 31.823 -0.001 0.000 0.926 705 V HN 0.587 nan 8.190 nan 0.000 0.396 801 Q N -2.189 117.610 119.800 -0.003 0.000 2.286 801 Q HA 0.800 5.139 4.340 -0.001 0.000 0.243 801 Q C 0.800 176.791 176.000 -0.015 0.000 0.752 801 Q CA 2.353 58.151 55.803 -0.008 0.000 0.950 801 Q CB -0.025 28.709 28.738 -0.007 0.000 1.253 801 Q HN 2.721 nan 8.270 nan 0.000 0.492 901 V N -1.568 118.358 119.914 0.021 0.000 6.676 901 V HA 0.481 4.601 4.120 -0.001 0.000 0.363 901 V C 0.999 177.111 176.094 0.030 0.000 0.335 901 V CA 0.791 63.105 62.300 0.023 0.000 0.738 901 V CB -2.401 29.431 31.823 0.015 0.000 0.280 901 V HN 2.759 nan 8.190 nan 0.000 1.529 902 A N -0.530 122.313 122.820 0.038 0.000 2.645 902 A HA 0.557 4.877 4.320 -0.001 0.000 0.233 902 A C 0.605 178.217 177.584 0.047 0.000 1.100 902 A CA 1.817 53.882 52.037 0.047 0.000 0.793 902 A CB -0.011 19.028 19.000 0.064 0.000 1.028 902 A HN 2.588 nan 8.150 nan 0.000 0.516 903 D N -1.330 119.098 120.400 0.046 0.000 2.855 903 D HA 0.697 5.337 4.640 -0.001 0.000 0.241 903 D C -0.624 175.700 176.300 0.040 0.000 1.277 903 D CA 0.142 54.165 54.000 0.039 0.000 0.918 903 D CB 0.880 41.697 40.800 0.029 0.000 1.462 903 D HN 1.829 nan 8.370 nan 0.000 0.559 904 V N -1.040 118.897 119.914 0.038 0.000 2.975 904 V HA 1.094 5.213 4.120 -0.001 0.000 0.318 904 V C 0.619 176.723 176.094 0.018 0.000 1.077 904 V CA -0.025 62.295 62.300 0.033 0.000 1.000 904 V CB 1.865 33.712 31.823 0.040 0.000 1.066 904 V HN 1.521 nan 8.190 nan 0.000 0.452 905 T N 1.115 115.677 114.554 0.013 0.000 3.548 905 T HA 0.830 5.179 4.350 -0.001 0.000 0.329 905 T C -0.248 174.456 174.700 0.006 0.000 0.960 905 T CA 0.305 62.410 62.100 0.007 0.000 1.041 905 T CB 0.117 68.990 68.868 0.009 0.000 1.065 905 T HN 1.865 nan 8.240 nan 0.000 0.459 906 T N 2.206 116.765 114.554 0.008 0.000 2.875 906 T HA 0.914 5.263 4.350 -0.001 0.000 0.284 906 T C -1.360 173.359 174.700 0.031 0.000 0.995 906 T CA -0.826 61.280 62.100 0.010 0.000 1.060 906 T CB -0.037 68.834 68.868 0.004 0.000 0.967 906 T HN 0.626 nan 8.240 nan 0.000 0.476 907 P HA 0.442 nan 4.420 nan 0.000 0.247 907 P C 0.986 178.327 177.300 0.069 0.000 1.147 907 P CA 1.717 64.834 63.100 0.029 0.000 0.964 907 P CB -1.618 30.082 31.700 0.000 0.000 0.944 908 Q N 0.190 120.073 119.800 0.138 0.000 2.196 908 Q HA -0.386 3.954 4.340 -0.001 0.000 0.191 908 Q C 1.914 178.102 176.000 0.313 0.000 0.656 908 Q CA 3.576 59.549 55.803 0.283 0.000 1.453 908 Q CB -3.068 25.734 28.738 0.108 0.000 1.707 908 Q HN 1.113 nan 8.270 nan 0.000 0.731 909 T N -1.736 112.905 114.554 0.145 0.000 2.720 909 T HA 0.465 4.815 4.350 -0.001 0.000 0.268 909 T C 1.682 176.432 174.700 0.084 0.000 1.037 909 T CA 3.618 65.776 62.100 0.097 0.000 1.144 909 T CB -0.317 68.572 68.868 0.035 0.000 0.864 909 T HN 2.366 nan 8.240 nan 0.000 0.444 910 V N -1.038 118.894 119.914 0.030 0.000 2.925 910 V HA 0.780 4.900 4.120 -0.001 0.000 0.311 910 V C 1.505 177.439 176.094 -0.266 0.000 1.104 910 V CA -0.213 61.999 62.300 -0.145 0.000 0.954 910 V CB 1.363 33.118 31.823 -0.113 0.000 1.022 910 V HN 0.655 nan 8.190 nan 0.000 0.427 911 L N 2.363 123.195 121.223 -0.652 0.000 2.240 911 L HA 0.610 4.950 4.340 -0.001 0.000 0.211 911 L C 1.554 178.262 176.870 -0.270 0.000 1.106 911 L CA 1.914 56.377 54.840 -0.628 0.000 0.793 911 L CB -1.657 39.701 42.059 -1.168 0.000 0.927 911 L HN 1.918 nan 8.230 nan 0.000 0.446 912 F N 0.099 119.908 119.950 -0.235 0.000 2.378 912 F HA 0.694 5.221 4.527 -0.001 0.000 0.319 912 F C 0.839 176.599 175.800 -0.067 0.000 1.155 912 F CA -0.565 57.360 58.000 -0.124 0.000 1.157 912 F CB -0.234 38.700 39.000 -0.110 0.000 1.252 912 F HN 0.491 nan 8.300 nan 0.000 0.550 913 K N 1.867 122.246 120.400 -0.035 0.000 2.299 913 K HA 0.751 5.070 4.320 -0.001 0.000 0.268 913 K C -0.540 176.056 176.600 -0.007 0.000 1.075 913 K CA 0.121 56.401 56.287 -0.013 0.000 0.936 913 K CB 0.045 32.544 32.500 -0.001 0.000 1.228 913 K HN 2.456 nan 8.250 nan 0.000 0.454 914 L N 1.020 122.241 121.223 -0.004 0.000 2.418 914 L HA 0.629 4.969 4.340 -0.001 0.000 0.274 914 L C 0.653 177.536 176.870 0.021 0.000 1.135 914 L CA 0.180 55.023 54.840 0.006 0.000 0.870 914 L CB -1.096 40.966 42.059 0.006 0.000 1.154 914 L HN 1.246 nan 8.230 nan 0.000 0.462 915 H N 2.160 121.243 119.070 0.022 0.000 2.690 915 H HA 0.741 5.296 4.556 -0.001 0.000 0.280 915 H C -0.266 175.087 175.328 0.040 0.000 1.138 915 H CA -0.233 55.832 56.048 0.028 0.000 1.241 915 H CB 0.128 29.900 29.762 0.017 0.000 1.394 915 H HN 2.002 nan 8.280 nan 0.000 0.489 916 F N 1.018 121.005 119.950 0.062 0.000 2.403 916 F HA 0.984 5.510 4.527 -0.001 0.000 0.326 916 F C 0.744 176.585 175.800 0.069 0.000 1.081 916 F CA -0.466 57.586 58.000 0.086 0.000 1.041 916 F CB 0.902 39.987 39.000 0.142 0.000 1.234 916 F HN 1.163 nan 8.300 nan 0.000 0.503 917 T N 0.000 114.589 114.554 0.059 0.000 3.816 917 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 917 T CA 0.000 62.117 62.100 0.029 0.000 1.349 917 T CB 0.000 68.875 68.868 0.012 0.000 0.612 917 T HN 0.000 nan 8.240 nan 0.000 0.658