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_B 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 0.000 176.345 176.300 0.074 0.000 2.045 12 D CA 0.000 54.010 54.000 0.017 0.000 0.868 12 D CB 0.000 40.873 40.800 0.122 0.000 0.688 13 W N 1.084 122.367 121.300 -0.029 0.000 2.950 13 W HA 0.748 5.408 4.660 -0.000 0.000 0.340 13 W C -0.531 175.955 176.519 -0.054 0.000 1.139 13 W CA -0.878 56.443 57.345 -0.040 0.000 1.188 13 W CB 0.435 29.859 29.460 -0.059 0.000 1.426 13 W HN -0.324 nan 8.180 nan 0.000 0.531 14 E N 1.571 121.917 120.200 0.244 0.000 2.729 14 E HA 0.210 4.560 4.350 -0.000 0.000 0.246 14 E C 1.152 177.829 176.600 0.128 0.000 0.984 14 E CA 2.431 58.912 56.400 0.135 0.000 0.951 14 E CB 0.299 30.072 29.700 0.123 0.000 0.914 14 E HN 1.019 nan 8.360 nan 0.000 0.509 15 G N 4.538 113.326 108.800 -0.020 0.000 2.284 15 G HA2 -0.430 3.529 3.960 -0.000 0.000 0.230 15 G HA3 -0.430 3.529 3.960 -0.000 0.000 0.230 15 G C 1.275 176.040 174.900 -0.226 0.000 1.021 15 G CA 0.561 45.623 45.100 -0.063 0.000 0.619 15 G HN 0.573 nan 8.290 nan 0.000 0.510 16 R N -0.033 120.150 120.500 -0.529 0.000 2.227 16 R HA -0.216 4.124 4.340 -0.000 0.000 0.246 16 R C 1.763 177.573 176.300 -0.816 0.000 1.119 16 R CA 2.799 58.273 56.100 -1.042 0.000 0.930 16 R CB -0.477 28.575 30.300 -2.081 0.000 0.912 16 R HN 0.623 nan 8.270 nan 0.000 0.435 17 W N 0.178 121.329 121.300 -0.249 0.000 3.305 17 W HA 0.238 4.898 4.660 -0.000 0.000 0.392 17 W C 1.135 177.615 176.519 -0.065 0.000 1.121 17 W CA -0.863 56.410 57.345 -0.120 0.000 1.909 17 W CB 0.076 29.483 29.460 -0.088 0.000 1.065 17 W HN 0.253 nan 8.180 nan 0.000 0.714 18 N N 0.213 118.907 118.700 -0.010 0.000 2.149 18 N HA -0.196 4.543 4.740 -0.000 0.000 0.188 18 N C 1.061 176.609 175.510 0.063 0.000 1.019 18 N CA 1.403 54.433 53.050 -0.033 0.000 0.857 18 N CB -0.361 38.016 38.487 -0.183 0.000 0.997 18 N HN 0.393 nan 8.380 nan 0.000 0.426 19 H N -1.544 117.623 119.070 0.162 0.000 2.563 19 H HA 0.083 4.639 4.556 -0.000 0.000 0.272 19 H C 1.069 176.580 175.328 0.304 0.000 1.005 19 H CA 0.147 56.315 56.048 0.199 0.000 1.171 19 H CB 0.540 30.386 29.762 0.141 0.000 1.351 19 H HN 0.045 nan 8.280 nan 0.000 0.602 20 V N -0.405 119.755 119.914 0.409 0.000 2.996 20 V HA -0.081 4.039 4.120 -0.000 0.000 0.235 20 V C 1.890 178.243 176.094 0.432 0.000 1.205 20 V CA 0.344 62.896 62.300 0.419 0.000 1.225 20 V CB 0.146 32.173 31.823 0.339 0.000 0.995 20 V HN 0.182 nan 8.190 nan 0.000 0.484 21 K N 0.953 121.530 120.400 0.294 0.000 2.107 21 K HA -0.297 4.023 4.320 -0.000 0.000 0.211 21 K C 2.055 178.760 176.600 0.174 0.000 1.049 21 K CA 1.917 58.329 56.287 0.207 0.000 0.927 21 K CB -0.276 32.309 32.500 0.142 0.000 0.714 21 K HN 0.373 nan 8.250 nan 0.000 0.452 22 K N -0.219 120.248 120.400 0.111 0.000 2.211 22 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 22 K C 1.677 178.175 176.600 -0.170 0.000 1.047 22 K CA 1.353 57.587 56.287 -0.087 0.000 0.935 22 K CB -0.084 32.268 32.500 -0.247 0.000 0.728 22 K HN 0.111 nan 8.250 nan 0.000 0.452 23 F N -0.340 119.733 119.950 0.204 0.000 2.698 23 F HA 0.112 4.639 4.527 -0.000 0.000 0.295 23 F C 1.495 177.473 175.800 0.296 0.000 1.124 23 F CA 0.389 58.529 58.000 0.233 0.000 1.426 23 F CB 0.200 39.412 39.000 0.354 0.000 1.120 23 F HN -0.115 nan 8.300 nan 0.000 0.583 24 L N -1.018 120.475 121.223 0.449 0.000 2.575 24 L HA 0.135 4.475 4.340 -0.000 0.000 0.228 24 L C 1.649 178.690 176.870 0.286 0.000 1.075 24 L CA 0.516 55.600 54.840 0.408 0.000 0.867 24 L CB -0.136 42.074 42.059 0.253 0.000 1.097 24 L HN 0.053 nan 8.230 nan 0.000 0.485 25 E N 0.562 120.886 120.200 0.206 0.000 2.340 25 E HA 0.096 4.446 4.350 -0.000 0.000 0.194 25 E C 0.215 176.893 176.600 0.131 0.000 0.996 25 E CA 0.106 56.578 56.400 0.119 0.000 0.869 25 E CB 0.540 30.284 29.700 0.073 0.000 0.835 25 E HN 0.394 nan 8.360 nan 0.000 0.493 26 R N 1.066 121.661 120.500 0.157 0.000 2.664 26 R HA 0.343 4.683 4.340 -0.000 0.000 0.286 26 R C -0.070 176.328 176.300 0.164 0.000 0.967 26 R CA -0.439 55.726 56.100 0.109 0.000 0.933 26 R CB 1.762 32.067 30.300 0.008 0.000 1.146 26 R HN -0.044 nan 8.270 nan 0.000 0.468 27 S N 0.051 115.834 115.700 0.138 0.000 2.681 27 S HA 0.822 5.292 4.470 -0.000 0.000 0.270 27 S C 0.286 174.848 174.600 -0.063 0.000 1.209 27 S CA -0.544 57.720 58.200 0.106 0.000 0.988 27 S CB 1.767 65.052 63.200 0.141 0.000 1.006 27 S HN 0.781 nan 8.310 nan 0.000 0.558 28 G N -0.861 107.860 108.800 -0.132 0.000 2.623 28 G HA2 0.552 4.512 3.960 -0.000 0.000 0.290 28 G HA3 0.552 4.512 3.960 -0.000 0.000 0.290 28 G C -2.890 171.927 174.900 -0.138 0.000 1.437 28 G CA -1.109 43.925 45.100 -0.110 0.000 0.798 28 G HN 0.451 nan 8.290 nan 0.000 0.488 29 P HA 0.099 nan 4.420 nan 0.000 0.221 29 P C 0.667 177.624 177.300 -0.573 0.000 1.150 29 P CA 0.930 63.762 63.100 -0.447 0.000 0.800 29 P CB 0.052 31.336 31.700 -0.693 0.000 0.787 30 F N -2.460 117.479 119.950 -0.019 0.000 2.639 30 F HA 0.228 4.755 4.527 -0.000 0.000 0.302 30 F C 1.136 176.887 175.800 -0.082 0.000 1.097 30 F CA -0.388 57.629 58.000 0.027 0.000 1.294 30 F CB -0.854 38.261 39.000 0.192 0.000 1.027 30 F HN -0.284 nan 8.300 nan 0.000 0.550 31 T N 0.188 114.666 114.554 -0.128 0.000 2.916 31 T HA -0.042 4.308 4.350 -0.000 0.000 0.303 31 T C -0.011 174.648 174.700 -0.067 0.000 1.025 31 T CA -0.028 61.890 62.100 -0.302 0.000 1.142 31 T CB 0.019 68.612 68.868 -0.458 0.000 0.947 31 T HN 0.393 nan 8.240 nan 0.000 0.544 32 H N 5.473 124.503 119.070 -0.067 0.000 2.972 32 H HA 0.168 4.724 4.556 -0.000 0.000 0.343 32 H C -1.675 173.695 175.328 0.069 0.000 1.054 32 H CA -0.742 55.329 56.048 0.038 0.000 1.412 32 H CB 0.712 30.515 29.762 0.069 0.000 1.385 32 H HN 0.432 nan 8.280 nan 0.000 0.600 33 P HA -0.231 nan 4.420 nan 0.000 0.217 33 P C 0.719 177.971 177.300 -0.080 0.000 1.162 33 P CA 1.979 64.884 63.100 -0.325 0.000 0.901 33 P CB 0.194 31.647 31.700 -0.412 0.000 0.793 34 D N -1.884 118.541 120.400 0.041 0.000 2.392 34 D HA -0.082 4.558 4.640 -0.000 0.000 0.228 34 D C 0.513 176.923 176.300 0.183 0.000 1.003 34 D CA 0.317 54.427 54.000 0.182 0.000 0.917 34 D CB -0.572 40.388 40.800 0.268 0.000 0.890 34 D HN 0.201 nan 8.370 nan 0.000 0.532 35 F N 2.158 122.160 119.950 0.088 0.000 2.538 35 F HA 0.045 4.572 4.527 -0.000 0.000 0.371 35 F C 0.472 176.263 175.800 -0.015 0.000 1.087 35 F CA 0.123 58.140 58.000 0.029 0.000 1.250 35 F CB 0.614 39.625 39.000 0.018 0.000 1.110 35 F HN -0.312 nan 8.300 nan 0.000 0.570 36 E N 8.006 127.723 120.200 -0.806 0.000 2.235 36 E HA 0.225 4.575 4.350 -0.000 0.000 0.252 36 E C -2.509 173.549 176.600 -0.903 0.000 0.886 36 E CA -2.116 53.930 56.400 -0.589 0.000 0.767 36 E CB 1.257 30.750 29.700 -0.345 0.000 1.205 36 E HN 0.367 nan 8.360 nan 0.000 0.421 37 P HA 0.009 nan 4.420 nan 0.000 0.263 37 P C -0.283 176.889 177.300 -0.213 0.000 1.195 37 P CA 0.223 63.154 63.100 -0.282 0.000 0.762 37 P CB 0.904 32.658 31.700 0.090 0.000 0.799 38 S N 1.405 117.000 115.700 -0.174 0.000 2.550 38 S HA 0.332 4.802 4.470 -0.000 0.000 0.270 38 S C 0.709 175.272 174.600 -0.061 0.000 1.145 38 S CA -0.337 57.787 58.200 -0.126 0.000 0.852 38 S CB 1.595 64.685 63.200 -0.182 0.000 1.119 38 S HN 0.434 nan 8.310 nan 0.000 0.465 39 T N 1.078 115.604 114.554 -0.048 0.000 3.067 39 T HA 0.184 4.533 4.350 -0.000 0.000 0.257 39 T C 1.173 175.856 174.700 -0.027 0.000 1.105 39 T CA 1.283 63.371 62.100 -0.020 0.000 1.104 39 T CB -0.248 68.612 68.868 -0.014 0.000 0.925 39 T HN 0.683 nan 8.240 nan 0.000 0.498 40 E N -0.136 120.031 120.200 -0.054 0.000 2.318 40 E HA 0.013 4.363 4.350 -0.000 0.000 0.193 40 E C 2.084 178.657 176.600 -0.044 0.000 0.998 40 E CA 0.352 56.721 56.400 -0.051 0.000 0.859 40 E CB 0.105 29.755 29.700 -0.083 0.000 0.812 40 E HN 0.425 nan 8.360 nan 0.000 0.492 41 S N 1.466 117.122 115.700 -0.073 0.000 2.380 41 S HA -0.255 4.215 4.470 -0.000 0.000 0.229 41 S C 1.849 176.432 174.600 -0.029 0.000 1.050 41 S CA 1.546 59.708 58.200 -0.063 0.000 1.100 41 S CB -0.564 62.583 63.200 -0.088 0.000 0.984 41 S HN 0.336 nan 8.310 nan 0.000 0.434 42 L N 1.872 123.066 121.223 -0.049 0.000 1.997 42 L HA -0.219 4.121 4.340 -0.000 0.000 0.216 42 L C 2.363 179.133 176.870 -0.166 0.000 1.074 42 L CA 2.223 56.991 54.840 -0.120 0.000 0.763 42 L CB -1.151 40.844 42.059 -0.105 0.000 0.890 42 L HN 0.229 nan 8.230 nan 0.000 0.434 43 Q N -1.189 118.558 119.800 -0.087 0.000 2.096 43 Q HA -0.253 4.087 4.340 -0.000 0.000 0.204 43 Q C 2.092 178.068 176.000 -0.040 0.000 0.982 43 Q CA 2.156 57.916 55.803 -0.070 0.000 0.850 43 Q CB -0.694 28.038 28.738 -0.009 0.000 0.901 43 Q HN 0.568 nan 8.270 nan 0.000 0.422 44 F N -0.191 119.673 119.950 -0.145 0.000 2.095 44 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 44 F C 1.814 177.513 175.800 -0.169 0.000 1.104 44 F CA 1.395 59.313 58.000 -0.136 0.000 1.232 44 F CB -0.625 38.293 39.000 -0.136 0.000 0.987 44 F HN 0.273 nan 8.300 nan 0.000 0.475 45 L N 0.151 121.283 121.223 -0.150 0.000 1.989 45 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 45 L C 2.221 178.871 176.870 -0.367 0.000 1.071 45 L CA 1.869 56.512 54.840 -0.328 0.000 0.749 45 L CB -0.998 40.804 42.059 -0.428 0.000 0.890 45 L HN 0.207 nan 8.230 nan 0.000 0.431 46 L N -0.594 120.424 121.223 -0.342 0.000 2.042 46 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 46 L C 2.161 178.924 176.870 -0.178 0.000 1.076 46 L CA 1.540 56.211 54.840 -0.282 0.000 0.749 46 L CB -0.718 41.167 42.059 -0.290 0.000 0.893 46 L HN 0.356 nan 8.230 nan 0.000 0.432 47 D N -1.617 118.666 120.400 -0.196 0.000 2.183 47 D HA -0.090 4.550 4.640 -0.000 0.000 0.205 47 D C 2.138 178.313 176.300 -0.207 0.000 0.962 47 D CA 1.867 55.767 54.000 -0.167 0.000 0.849 47 D CB 0.027 40.737 40.800 -0.150 0.000 0.978 47 D HN 0.391 nan 8.370 nan 0.000 0.488 48 T N -2.674 111.664 114.554 -0.359 0.000 2.969 48 T HA 0.062 4.412 4.350 -0.000 0.000 0.250 48 T C 1.127 175.761 174.700 -0.111 0.000 1.021 48 T CA -0.341 61.558 62.100 -0.335 0.000 1.003 48 T CB -0.481 67.961 68.868 -0.709 0.000 1.040 48 T HN 0.053 nan 8.240 nan 0.000 0.492 49 C N 3.786 123.028 119.300 -0.097 0.000 2.610 49 C HA 0.413 4.872 4.460 -0.000 0.000 0.382 49 C C 0.462 175.643 174.990 0.319 0.000 1.287 49 C CA -0.732 58.409 59.018 0.206 0.000 1.640 49 C CB -1.677 26.110 27.740 0.079 0.000 2.335 49 C HN 0.430 nan 8.230 nan 0.000 0.577 50 K N 4.943 125.526 120.400 0.303 0.000 2.262 50 K HA 0.506 4.826 4.320 -0.000 0.000 0.282 50 K C -0.761 175.993 176.600 0.256 0.000 1.066 50 K CA -0.227 56.126 56.287 0.110 0.000 0.901 50 K CB 0.954 33.288 32.500 -0.277 0.000 1.089 50 K HN 0.585 nan 8.250 nan 0.000 0.476 51 V N 5.165 125.263 119.914 0.307 0.000 2.555 51 V HA 0.337 4.457 4.120 -0.000 0.000 0.302 51 V C -0.765 175.352 176.094 0.039 0.000 1.038 51 V CA -1.072 61.321 62.300 0.154 0.000 0.887 51 V CB 1.646 33.453 31.823 -0.026 0.000 0.991 51 V HN 0.549 nan 8.190 nan 0.000 0.434 52 L N 6.213 127.260 121.223 -0.294 0.000 2.305 52 L HA 0.691 5.030 4.340 -0.000 0.000 0.284 52 L C -0.561 176.143 176.870 -0.276 0.000 1.013 52 L CA 0.035 54.527 54.840 -0.581 0.000 0.819 52 L CB 1.706 42.879 42.059 -1.477 0.000 1.227 52 L HN 0.427 nan 8.230 nan 0.000 0.417 53 V N 6.992 126.821 119.914 -0.142 0.000 2.370 53 V HA 0.414 4.534 4.120 -0.000 0.000 0.279 53 V C 0.217 176.290 176.094 -0.035 0.000 1.029 53 V CA -0.344 61.909 62.300 -0.078 0.000 0.870 53 V CB 1.337 33.135 31.823 -0.043 0.000 0.984 53 V HN 0.606 nan 8.190 nan 0.000 0.451 54 I N 5.110 125.665 120.570 -0.024 0.000 2.306 54 I HA 0.710 4.880 4.170 -0.000 0.000 0.288 54 I C 0.701 176.834 176.117 0.026 0.000 1.036 54 I CA 0.033 61.348 61.300 0.024 0.000 1.221 54 I CB 1.054 39.079 38.000 0.043 0.000 1.385 54 I HN 0.860 nan 8.210 nan 0.000 0.472 55 G N 4.668 113.495 108.800 0.045 0.000 2.640 55 G HA2 0.241 4.200 3.960 -0.000 0.000 0.686 55 G HA3 0.241 4.200 3.960 -0.000 0.000 0.686 55 G C -0.838 174.085 174.900 0.038 0.000 1.229 55 G CA -0.355 44.769 45.100 0.040 0.000 0.796 55 G HN 0.939 nan 8.290 nan 0.000 0.654 56 A N 0.527 123.381 122.820 0.056 0.000 3.453 56 A HA 0.850 5.170 4.320 -0.000 0.000 0.262 56 A C 0.535 178.180 177.584 0.103 0.000 1.026 56 A CA 0.704 52.782 52.037 0.068 0.000 0.938 56 A CB 0.324 19.397 19.000 0.123 0.000 1.246 56 A HN 2.475 nan 8.150 nan 0.000 0.546 57 G N -0.483 108.335 108.800 0.029 0.000 4.101 57 G HA2 0.595 4.554 3.960 -0.000 0.000 0.262 57 G HA3 0.595 4.554 3.960 -0.000 0.000 0.262 57 G C 0.539 175.425 174.900 -0.024 0.000 1.181 57 G CA 0.773 45.895 45.100 0.037 0.000 0.640 57 G HN 1.850 nan 8.290 nan 0.000 0.467 58 G N 0.484 109.234 108.800 -0.084 0.000 2.780 58 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.237 58 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.237 58 G C 1.308 176.189 174.900 -0.031 0.000 1.965 58 G CA 0.140 45.215 45.100 -0.042 0.000 1.577 58 G HN 0.639 nan 8.290 nan 0.000 0.543 59 L N 1.980 123.186 121.223 -0.029 0.000 2.017 59 L HA 0.079 4.419 4.340 -0.000 0.000 0.208 59 L C 3.234 180.080 176.870 -0.041 0.000 1.073 59 L CA 2.131 56.951 54.840 -0.033 0.000 0.745 59 L CB -0.934 41.105 42.059 -0.033 0.000 0.894 59 L HN 0.621 nan 8.230 nan 0.000 0.432 60 G N -0.502 108.271 108.800 -0.044 0.000 2.545 60 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 60 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 60 G C 1.642 176.482 174.900 -0.099 0.000 1.218 60 G CA 1.094 46.163 45.100 -0.052 0.000 0.787 60 G HN 0.418 nan 8.290 nan 0.000 0.571 61 C N 0.047 119.230 119.300 -0.194 0.000 2.393 61 C HA -0.035 4.425 4.460 -0.000 0.000 0.276 61 C C 2.747 177.643 174.990 -0.155 0.000 1.215 61 C CA 1.229 60.014 59.018 -0.389 0.000 1.743 61 C CB -0.908 26.336 27.740 -0.826 0.000 2.044 61 C HN 0.610 nan 8.230 nan 0.000 0.464 62 E N 0.744 120.974 120.200 0.050 0.000 2.070 62 E HA -0.178 4.171 4.350 -0.000 0.000 0.197 62 E C 2.003 178.635 176.600 0.054 0.000 1.004 62 E CA 1.257 57.758 56.400 0.168 0.000 0.805 62 E CB -0.483 29.267 29.700 0.085 0.000 0.744 62 E HN 0.578 nan 8.360 nan 0.000 0.451 63 L N -0.212 121.006 121.223 -0.009 0.000 1.990 63 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 63 L C 2.546 179.401 176.870 -0.025 0.000 1.072 63 L CA 1.246 56.064 54.840 -0.036 0.000 0.755 63 L CB -0.502 41.522 42.059 -0.058 0.000 0.889 63 L HN 0.244 nan 8.230 nan 0.000 0.432 64 L N -0.191 121.018 121.223 -0.024 0.000 1.990 64 L HA -0.317 4.023 4.340 -0.000 0.000 0.213 64 L C 2.768 179.666 176.870 0.048 0.000 1.072 64 L CA 1.762 56.599 54.840 -0.004 0.000 0.755 64 L CB -0.542 41.496 42.059 -0.035 0.000 0.889 64 L HN 0.307 nan 8.230 nan 0.000 0.432 65 K N 0.011 120.457 120.400 0.077 0.000 2.032 65 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 65 K C 1.939 178.603 176.600 0.106 0.000 1.048 65 K CA 1.841 58.206 56.287 0.130 0.000 0.927 65 K CB -0.053 32.576 32.500 0.215 0.000 0.712 65 K HN 0.287 nan 8.250 nan 0.000 0.441 66 N N 1.132 119.870 118.700 0.064 0.000 2.069 66 N HA -0.181 4.559 4.740 -0.000 0.000 0.191 66 N C 1.971 177.531 175.510 0.084 0.000 1.031 66 N CA 1.385 54.460 53.050 0.043 0.000 0.852 66 N CB -0.415 38.066 38.487 -0.009 0.000 1.018 66 N HN 0.221 nan 8.380 nan 0.000 0.423 67 L N 0.700 121.953 121.223 0.052 0.000 2.046 67 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 67 L C 2.483 179.527 176.870 0.290 0.000 1.077 67 L CA 1.146 56.031 54.840 0.075 0.000 0.747 67 L CB -0.570 41.393 42.059 -0.161 0.000 0.896 67 L HN 0.112 nan 8.230 nan 0.000 0.432 68 A N 0.163 123.117 122.820 0.224 0.000 1.908 68 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 68 A C 2.070 179.877 177.584 0.372 0.000 1.181 68 A CA 1.543 53.747 52.037 0.279 0.000 0.627 68 A CB -0.737 18.395 19.000 0.219 0.000 0.818 68 A HN 0.420 nan 8.150 nan 0.000 0.445 69 L N -0.339 121.075 121.223 0.318 0.000 2.612 69 L HA 0.093 4.433 4.340 -0.000 0.000 0.230 69 L C 1.341 178.463 176.870 0.420 0.000 1.140 69 L CA 0.262 55.320 54.840 0.363 0.000 0.896 69 L CB 0.107 42.290 42.059 0.206 0.000 1.065 69 L HN 0.246 nan 8.230 nan 0.000 0.447 70 S N -0.473 115.454 115.700 0.378 0.000 2.559 70 S HA 0.299 4.769 4.470 -0.000 0.000 0.226 70 S C 1.276 175.999 174.600 0.204 0.000 1.000 70 S CA 0.589 58.963 58.200 0.291 0.000 0.948 70 S CB 1.064 64.456 63.200 0.321 0.000 0.870 70 S HN 0.569 nan 8.310 nan 0.000 0.497 71 G N 1.090 109.876 108.800 -0.022 0.000 2.148 71 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.157 71 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.157 71 G C -0.276 174.312 174.900 -0.520 0.000 1.012 71 G CA -0.768 43.972 45.100 -0.599 0.000 0.677 71 G HN 0.335 nan 8.290 nan 0.000 0.506 72 F N 0.310 120.218 119.950 -0.070 0.000 2.443 72 F HA 0.748 5.275 4.527 -0.000 0.000 0.335 72 F C 1.444 177.250 175.800 0.010 0.000 1.104 72 F CA -0.923 57.067 58.000 -0.017 0.000 1.013 72 F CB 1.552 40.580 39.000 0.046 0.000 1.136 72 F HN -0.131 nan 8.300 nan 0.000 0.470 73 R N 0.009 120.602 120.500 0.155 0.000 2.320 73 R HA 0.112 4.452 4.340 -0.000 0.000 0.193 73 R C -0.061 176.318 176.300 0.132 0.000 0.885 73 R CA 0.163 56.336 56.100 0.121 0.000 1.085 73 R CB 0.201 30.532 30.300 0.051 0.000 1.253 73 R HN 0.475 nan 8.270 nan 0.000 0.636 74 Q N 1.936 121.824 119.800 0.146 0.000 2.837 74 Q HA 0.303 4.642 4.340 -0.000 0.000 0.235 74 Q C -0.243 175.912 176.000 0.259 0.000 1.348 74 Q CA 0.446 56.350 55.803 0.167 0.000 0.990 74 Q CB -0.248 28.572 28.738 0.137 0.000 1.570 74 Q HN 0.310 nan 8.270 nan 0.000 0.575 75 I N 1.580 122.270 120.570 0.200 0.000 2.404 75 I HA 0.327 4.497 4.170 -0.000 0.000 0.293 75 I C 0.322 176.541 176.117 0.171 0.000 0.992 75 I CA -0.689 60.734 61.300 0.205 0.000 1.149 75 I CB 1.332 39.404 38.000 0.120 0.000 1.315 75 I HN 0.311 nan 8.210 nan 0.000 0.446 76 H N 4.719 123.873 119.070 0.140 0.000 2.621 76 H HA 0.670 5.225 4.556 -0.000 0.000 0.360 76 H C -1.095 174.290 175.328 0.095 0.000 1.163 76 H CA -0.856 55.305 56.048 0.188 0.000 1.194 76 H CB 3.003 32.999 29.762 0.390 0.000 1.649 76 H HN 0.217 nan 8.280 nan 0.000 0.532 77 V N 4.186 124.248 119.914 0.247 0.000 2.623 77 V HA 0.309 4.429 4.120 -0.000 0.000 0.304 77 V C -0.125 176.109 176.094 0.233 0.000 1.054 77 V CA -0.597 61.799 62.300 0.160 0.000 0.882 77 V CB 2.056 33.931 31.823 0.088 0.000 1.002 77 V HN 0.545 nan 8.190 nan 0.000 0.424 78 I N 3.714 124.399 120.570 0.192 0.000 2.493 78 I HA 0.688 4.857 4.170 -0.000 0.000 0.298 78 I C -0.793 175.429 176.117 0.175 0.000 0.998 78 I CA -0.187 61.252 61.300 0.230 0.000 1.137 78 I CB 1.912 40.028 38.000 0.194 0.000 1.310 78 I HN 0.621 nan 8.210 nan 0.000 0.445 79 D N 5.795 126.316 120.400 0.202 0.000 2.530 79 D HA 0.126 4.766 4.640 -0.000 0.000 0.193 79 D C -0.185 176.261 176.300 0.243 0.000 1.243 79 D CA -0.401 53.697 54.000 0.164 0.000 0.803 79 D CB 1.299 42.173 40.800 0.124 0.000 1.955 79 D HN 0.624 nan 8.370 nan 0.000 0.529 80 M N 0.160 119.865 119.600 0.175 0.000 2.561 80 M HA 0.287 4.767 4.480 -0.000 0.000 0.238 80 M C -0.160 176.310 176.300 0.283 0.000 1.131 80 M CA 0.165 55.576 55.300 0.185 0.000 1.046 80 M CB 0.239 32.839 32.600 -0.000 0.000 1.532 80 M HN -0.068 nan 8.290 nan 0.000 0.497 81 D N 1.723 122.228 120.400 0.175 0.000 2.387 81 D HA 0.304 4.944 4.640 -0.000 0.000 0.251 81 D C -0.468 175.832 176.300 0.001 0.000 1.141 81 D CA 0.095 54.148 54.000 0.088 0.000 0.987 81 D CB 1.426 42.239 40.800 0.022 0.000 1.116 81 D HN -0.013 nan 8.370 nan 0.000 0.491 82 T N 0.494 115.014 114.554 -0.058 0.000 2.829 82 T HA 0.404 4.754 4.350 -0.000 0.000 0.280 82 T C 0.479 175.059 174.700 -0.200 0.000 0.999 82 T CA -0.589 61.414 62.100 -0.161 0.000 0.983 82 T CB 0.792 69.605 68.868 -0.091 0.000 0.968 82 T HN 0.138 nan 8.240 nan 0.000 0.446 83 I N 3.737 124.111 120.570 -0.326 0.000 2.752 83 I HA 0.072 4.241 4.170 -0.000 0.000 0.289 83 I C 0.672 176.696 176.117 -0.155 0.000 1.197 83 I CA 0.422 61.522 61.300 -0.334 0.000 1.432 83 I CB 0.243 37.950 38.000 -0.489 0.000 1.359 83 I HN 0.536 nan 8.210 nan 0.000 0.571 84 D N 5.061 125.412 120.400 -0.082 0.000 2.433 84 D HA 0.119 4.758 4.640 -0.000 0.000 0.236 84 D C 0.565 176.865 176.300 0.001 0.000 1.026 84 D CA -0.621 53.357 54.000 -0.036 0.000 0.884 84 D CB 2.549 43.334 40.800 -0.025 0.000 1.384 84 D HN 0.302 nan 8.370 nan 0.000 0.477 85 V N 3.000 122.917 119.914 0.006 0.000 2.469 85 V HA -0.195 3.924 4.120 -0.000 0.000 0.251 85 V C 1.778 177.892 176.094 0.034 0.000 1.064 85 V CA 2.831 65.145 62.300 0.023 0.000 1.066 85 V CB -0.452 31.383 31.823 0.020 0.000 0.667 85 V HN 0.643 nan 8.190 nan 0.000 0.461 86 S N -0.544 115.172 115.700 0.026 0.000 2.840 86 S HA 0.109 4.579 4.470 -0.000 0.000 0.235 86 S C 0.936 175.557 174.600 0.035 0.000 0.968 86 S CA 0.324 58.539 58.200 0.026 0.000 1.026 86 S CB -0.551 62.657 63.200 0.014 0.000 0.788 86 S HN 0.707 nan 8.310 nan 0.000 0.487 87 N N 1.113 119.850 118.700 0.061 0.000 2.397 87 N HA 0.293 5.033 4.740 -0.000 0.000 0.190 87 N C 1.255 176.818 175.510 0.087 0.000 1.099 87 N CA 0.205 53.310 53.050 0.092 0.000 0.876 87 N CB -0.285 38.311 38.487 0.182 0.000 1.143 87 N HN 0.367 nan 8.380 nan 0.000 0.468 88 L N 1.814 123.090 121.223 0.089 0.000 2.549 88 L HA -0.066 4.274 4.340 -0.000 0.000 0.230 88 L C 1.638 178.539 176.870 0.051 0.000 1.162 88 L CA 0.756 55.642 54.840 0.076 0.000 0.834 88 L CB -0.576 41.530 42.059 0.078 0.000 0.947 88 L HN 0.264 nan 8.230 nan 0.000 0.452 89 N N 1.234 119.958 118.700 0.040 0.000 2.422 89 N HA -0.115 4.625 4.740 -0.000 0.000 0.181 89 N C 1.529 177.056 175.510 0.029 0.000 1.080 89 N CA 0.585 53.654 53.050 0.032 0.000 0.893 89 N CB 0.276 38.777 38.487 0.023 0.000 0.973 89 N HN 0.549 nan 8.380 nan 0.000 0.456 90 R N -1.103 119.414 120.500 0.028 0.000 2.769 90 R HA 0.185 4.525 4.340 -0.000 0.000 0.191 90 R C 0.028 176.353 176.300 0.041 0.000 0.881 90 R CA -0.285 55.836 56.100 0.035 0.000 1.133 90 R CB -0.223 30.085 30.300 0.014 0.000 1.607 90 R HN -0.024 nan 8.270 nan 0.000 0.613 91 Q N 2.611 122.375 119.800 -0.059 0.000 2.815 91 Q HA 0.112 4.452 4.340 -0.000 0.000 0.235 91 Q C -0.162 175.533 176.000 -0.509 0.000 1.354 91 Q CA -0.281 55.324 55.803 -0.330 0.000 0.953 91 Q CB -0.047 28.509 28.738 -0.302 0.000 1.613 91 Q HN 0.441 nan 8.270 nan 0.000 0.572 92 F N -1.245 118.476 119.950 -0.382 0.000 2.605 92 F HA -0.063 4.464 4.527 -0.000 0.000 0.296 92 F C 0.564 176.043 175.800 -0.536 0.000 1.146 92 F CA 0.567 58.356 58.000 -0.351 0.000 1.478 92 F CB -0.154 38.684 39.000 -0.270 0.000 1.107 92 F HN 0.285 nan 8.300 nan 0.000 0.600 93 L N -0.518 119.917 121.223 -1.314 0.000 2.607 93 L HA 0.259 4.599 4.340 -0.000 0.000 0.228 93 L C -0.251 176.395 176.870 -0.374 0.000 1.123 93 L CA -0.086 54.032 54.840 -1.205 0.000 0.890 93 L CB -0.288 41.030 42.059 -1.235 0.000 1.103 93 L HN 0.077 nan 8.230 nan 0.000 0.468 94 F N -0.110 119.748 119.950 -0.153 0.000 2.469 94 F HA 0.569 5.096 4.527 -0.000 0.000 0.332 94 F C 0.493 176.307 175.800 0.024 0.000 1.103 94 F CA -1.283 56.698 58.000 -0.032 0.000 0.979 94 F CB 1.373 40.334 39.000 -0.064 0.000 1.137 94 F HN -0.196 nan 8.300 nan 0.000 0.463 95 R N 1.950 122.598 120.500 0.246 0.000 2.902 95 R HA 0.378 4.718 4.340 -0.000 0.000 0.258 95 R C -2.016 174.349 176.300 0.109 0.000 1.071 95 R CA -2.469 53.725 56.100 0.156 0.000 1.024 95 R CB 0.837 31.221 30.300 0.140 0.000 1.184 95 R HN 0.220 nan 8.270 nan 0.000 0.492 96 P HA -0.199 nan 4.420 nan 0.000 0.217 96 P C 0.903 178.221 177.300 0.030 0.000 1.148 96 P CA 1.707 64.835 63.100 0.048 0.000 0.828 96 P CB 0.223 31.947 31.700 0.040 0.000 0.783 97 K N -0.484 119.937 120.400 0.034 0.000 2.147 97 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 97 K C 1.086 177.688 176.600 0.004 0.000 1.049 97 K CA 1.750 58.047 56.287 0.018 0.000 0.936 97 K CB -0.749 31.764 32.500 0.021 0.000 0.722 97 K HN 0.066 nan 8.250 nan 0.000 0.446 98 D N 1.129 121.537 120.400 0.014 0.000 2.355 98 D HA 0.076 4.716 4.640 -0.000 0.000 0.218 98 D C 0.667 176.917 176.300 -0.083 0.000 1.004 98 D CA 0.244 54.228 54.000 -0.027 0.000 0.880 98 D CB -0.038 40.767 40.800 0.007 0.000 0.911 98 D HN 0.281 nan 8.370 nan 0.000 0.528 99 I N 0.606 121.144 120.570 -0.053 0.000 2.826 99 I HA -0.051 4.119 4.170 -0.000 0.000 0.295 99 I C 1.791 177.855 176.117 -0.088 0.000 1.213 99 I CA 1.027 62.284 61.300 -0.072 0.000 1.436 99 I CB 0.489 38.469 38.000 -0.033 0.000 1.348 99 I HN 0.194 nan 8.210 nan 0.000 0.570 100 G N 5.432 114.162 108.800 -0.116 0.000 2.279 100 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.223 100 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.223 100 G C 0.471 175.281 174.900 -0.149 0.000 1.015 100 G CA -0.437 44.599 45.100 -0.106 0.000 0.621 100 G HN 0.580 nan 8.290 nan 0.000 0.506 101 R N 1.232 121.618 120.500 -0.191 0.000 2.649 101 R HA 0.460 4.800 4.340 -0.000 0.000 0.270 101 R C -2.638 173.440 176.300 -0.371 0.000 1.105 101 R CA -1.469 54.484 56.100 -0.246 0.000 1.193 101 R CB 0.144 30.317 30.300 -0.212 0.000 1.120 101 R HN 0.127 nan 8.270 nan 0.000 0.561 102 P HA 0.074 nan 4.420 nan 0.000 0.276 102 P C -0.283 176.723 177.300 -0.490 0.000 1.243 102 P CA -0.011 62.670 63.100 -0.698 0.000 0.768 102 P CB 0.775 31.794 31.700 -1.134 0.000 0.856 103 K N 3.024 123.162 120.400 -0.437 0.000 2.001 103 K HA -0.224 4.096 4.320 -0.000 0.000 0.214 103 K C 1.954 178.488 176.600 -0.109 0.000 1.050 103 K CA 2.088 58.141 56.287 -0.390 0.000 0.934 103 K CB -0.725 31.655 32.500 -0.200 0.000 0.718 103 K HN 0.449 nan 8.250 nan 0.000 0.443 104 A N 1.614 124.400 122.820 -0.057 0.000 1.948 104 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 104 A C 2.120 179.692 177.584 -0.019 0.000 1.177 104 A CA 1.999 54.047 52.037 0.018 0.000 0.636 104 A CB -0.565 18.483 19.000 0.080 0.000 0.815 104 A HN 0.504 nan 8.150 nan 0.000 0.449 105 E N -0.212 119.924 120.200 -0.107 0.000 2.007 105 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 105 E C 1.906 178.488 176.600 -0.031 0.000 0.999 105 E CA 1.759 58.104 56.400 -0.092 0.000 0.811 105 E CB -0.220 29.381 29.700 -0.166 0.000 0.762 105 E HN 0.293 nan 8.360 nan 0.000 0.450 106 V N 1.595 121.482 119.914 -0.045 0.000 2.332 106 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 106 V C 2.535 178.751 176.094 0.204 0.000 1.055 106 V CA 1.899 64.239 62.300 0.067 0.000 1.038 106 V CB -1.028 30.809 31.823 0.024 0.000 0.651 106 V HN 0.483 nan 8.190 nan 0.000 0.450 107 A N 0.138 123.099 122.820 0.235 0.000 1.883 107 A HA -0.148 4.171 4.320 -0.000 0.000 0.217 107 A C 2.454 180.104 177.584 0.109 0.000 1.186 107 A CA 2.350 54.489 52.037 0.169 0.000 0.624 107 A CB -0.894 18.186 19.000 0.133 0.000 0.822 107 A HN 0.589 nan 8.150 nan 0.000 0.444 108 A N -0.549 122.318 122.820 0.077 0.000 1.877 108 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 108 A C 2.033 179.668 177.584 0.084 0.000 1.186 108 A CA 1.829 53.900 52.037 0.057 0.000 0.620 108 A CB -0.657 18.347 19.000 0.008 0.000 0.822 108 A HN 0.679 nan 8.150 nan 0.000 0.443 109 E N -1.040 119.208 120.200 0.080 0.000 2.048 109 E HA -0.267 4.083 4.350 -0.000 0.000 0.202 109 E C 1.835 178.502 176.600 0.112 0.000 1.021 109 E CA 1.784 58.227 56.400 0.071 0.000 0.825 109 E CB -0.323 29.411 29.700 0.057 0.000 0.756 109 E HN 0.630 nan 8.360 nan 0.000 0.454 110 F N 0.752 120.712 119.950 0.018 0.000 2.026 110 F HA -0.221 4.305 4.527 -0.000 0.000 0.296 110 F C 2.391 178.205 175.800 0.023 0.000 1.133 110 F CA 1.490 59.501 58.000 0.017 0.000 1.188 110 F CB -0.242 38.756 39.000 -0.004 0.000 0.968 110 F HN 0.056 nan 8.300 nan 0.000 0.476 111 L N 0.586 122.071 121.223 0.436 0.000 2.042 111 L HA -0.317 4.022 4.340 -0.000 0.000 0.210 111 L C 2.083 179.073 176.870 0.200 0.000 1.076 111 L CA 1.489 56.509 54.840 0.300 0.000 0.749 111 L CB -0.640 41.515 42.059 0.159 0.000 0.893 111 L HN 0.223 nan 8.230 nan 0.000 0.432 112 N N -0.493 118.289 118.700 0.138 0.000 2.443 112 N HA -0.209 4.531 4.740 -0.000 0.000 0.184 112 N C 1.339 176.897 175.510 0.079 0.000 1.037 112 N CA 1.317 54.425 53.050 0.096 0.000 0.896 112 N CB -0.209 38.315 38.487 0.061 0.000 0.959 112 N HN 0.506 nan 8.380 nan 0.000 0.442 113 D N 0.578 121.012 120.400 0.057 0.000 2.269 113 D HA -0.047 4.593 4.640 -0.000 0.000 0.220 113 D C 1.907 178.221 176.300 0.022 0.000 0.962 113 D CA 0.360 54.361 54.000 0.001 0.000 0.884 113 D CB 0.341 41.085 40.800 -0.093 0.000 1.023 113 D HN -0.054 nan 8.370 nan 0.000 0.484 114 R N 0.413 120.949 120.500 0.060 0.000 2.081 114 R HA -0.001 4.339 4.340 -0.000 0.000 0.235 114 R C 0.385 176.780 176.300 0.159 0.000 1.131 114 R CA 0.845 57.019 56.100 0.123 0.000 0.960 114 R CB -0.284 30.207 30.300 0.317 0.000 0.856 114 R HN 0.014 nan 8.270 nan 0.000 0.436 115 V N 2.385 122.410 119.914 0.184 0.000 2.277 115 V HA 0.219 4.339 4.120 -0.000 0.000 0.269 115 V C -1.727 174.481 176.094 0.190 0.000 1.036 115 V CA -1.638 60.781 62.300 0.199 0.000 0.821 115 V CB 1.221 33.174 31.823 0.216 0.000 1.052 115 V HN 0.196 nan 8.190 nan 0.000 0.462 116 P HA -0.287 nan 4.420 nan 0.000 0.223 116 P C 0.820 178.222 177.300 0.170 0.000 0.913 116 P CA 1.988 65.211 63.100 0.206 0.000 1.058 116 P CB 0.056 31.961 31.700 0.341 0.000 0.714 117 N N -2.800 116.012 118.700 0.187 0.000 2.273 117 N HA 0.074 4.814 4.740 -0.000 0.000 0.231 117 N C -0.034 175.563 175.510 0.144 0.000 1.134 117 N CA -0.150 52.992 53.050 0.153 0.000 0.856 117 N CB -0.385 38.195 38.487 0.155 0.000 1.068 117 N HN 0.180 nan 8.380 nan 0.000 0.510 118 C N 1.272 120.666 119.300 0.157 0.000 2.702 118 C HA 0.063 4.522 4.460 -0.000 0.000 0.411 118 C C 1.236 176.285 174.990 0.097 0.000 1.286 118 C CA 0.298 59.402 59.018 0.144 0.000 1.979 118 C CB -0.479 27.354 27.740 0.155 0.000 2.728 118 C HN 0.444 nan 8.230 nan 0.000 0.652 119 N N 2.388 121.135 118.700 0.078 0.000 2.679 119 N HA 0.270 5.009 4.740 -0.000 0.000 0.302 119 N C -1.002 174.508 175.510 -0.000 0.000 1.941 119 N CA -0.283 52.788 53.050 0.036 0.000 0.875 119 N CB 0.509 39.015 38.487 0.033 0.000 1.278 119 N HN 0.412 nan 8.380 nan 0.000 0.490 120 V N 1.095 121.013 119.914 0.006 0.000 2.521 120 V HA 0.218 4.338 4.120 -0.000 0.000 0.286 120 V C 0.279 176.306 176.094 -0.112 0.000 1.034 120 V CA -0.398 61.885 62.300 -0.028 0.000 1.045 120 V CB 1.150 32.983 31.823 0.017 0.000 0.974 120 V HN 0.092 nan 8.190 nan 0.000 0.480 121 V N 8.430 128.195 119.914 -0.247 0.000 2.370 121 V HA 0.396 4.516 4.120 -0.000 0.000 0.283 121 V C -1.980 173.927 176.094 -0.312 0.000 1.023 121 V CA -1.536 60.553 62.300 -0.352 0.000 0.857 121 V CB 1.899 33.321 31.823 -0.668 0.000 0.985 121 V HN 0.767 nan 8.190 nan 0.000 0.443 122 P HA 0.390 nan 4.420 nan 0.000 0.284 122 P C -1.144 175.954 177.300 -0.338 0.000 1.258 122 P CA -0.395 62.601 63.100 -0.174 0.000 0.824 122 P CB 1.189 32.845 31.700 -0.072 0.000 1.038 123 H N 2.066 121.242 119.070 0.176 0.000 3.036 123 H HA 0.151 4.707 4.556 -0.000 0.000 0.295 123 H C -0.840 174.651 175.328 0.271 0.000 1.124 123 H CA -0.443 55.745 56.048 0.233 0.000 1.507 123 H CB 0.330 30.247 29.762 0.259 0.000 1.591 123 H HN 0.317 nan 8.280 nan 0.000 0.510 124 F N 4.698 124.727 119.950 0.131 0.000 2.678 124 F HA 0.183 4.710 4.527 -0.000 0.000 0.358 124 F C -0.486 175.342 175.800 0.047 0.000 1.256 124 F CA -0.414 57.623 58.000 0.061 0.000 1.278 124 F CB -0.695 38.312 39.000 0.011 0.000 1.681 124 F HN 0.384 nan 8.300 nan 0.000 0.661 125 N N 2.664 121.437 118.700 0.122 0.000 3.157 125 N HA 0.350 5.090 4.740 -0.000 0.000 0.291 125 N C -1.367 174.135 175.510 -0.014 0.000 1.515 125 N CA -0.840 52.161 53.050 -0.080 0.000 0.807 125 N CB 2.037 40.471 38.487 -0.089 0.000 1.672 125 N HN 0.263 nan 8.380 nan 0.000 0.592 126 K N 0.013 120.349 120.400 -0.107 0.000 2.259 126 K HA 0.436 4.756 4.320 -0.000 0.000 0.252 126 K C 1.367 177.929 176.600 -0.062 0.000 0.936 126 K CA -0.683 55.550 56.287 -0.089 0.000 0.810 126 K CB 1.776 34.172 32.500 -0.174 0.000 1.143 126 K HN 0.622 nan 8.250 nan 0.000 0.427 127 I N -1.319 119.243 120.570 -0.014 0.000 2.290 127 I HA -0.376 3.794 4.170 -0.000 0.000 0.253 127 I C 1.155 177.129 176.117 -0.238 0.000 1.112 127 I CA 1.295 62.642 61.300 0.078 0.000 1.377 127 I CB -0.495 37.539 38.000 0.057 0.000 1.060 127 I HN 0.600 nan 8.210 nan 0.000 0.428 128 Q N 1.172 120.563 119.800 -0.683 0.000 2.488 128 Q HA -0.104 4.236 4.340 -0.000 0.000 0.211 128 Q C 1.521 177.336 176.000 -0.307 0.000 0.967 128 Q CA 1.116 56.415 55.803 -0.839 0.000 0.926 128 Q CB -0.317 27.948 28.738 -0.788 0.000 0.992 128 Q HN 0.586 nan 8.270 nan 0.000 0.506 129 D N -0.683 119.528 120.400 -0.315 0.000 2.224 129 D HA -0.045 4.595 4.640 -0.000 0.000 0.205 129 D C -0.150 175.863 176.300 -0.480 0.000 0.965 129 D CA 0.662 54.386 54.000 -0.460 0.000 0.852 129 D CB 0.164 40.522 40.800 -0.736 0.000 0.947 129 D HN 0.158 nan 8.370 nan 0.000 0.494 130 F N 0.674 120.597 119.950 -0.045 0.000 2.411 130 F HA 0.314 4.841 4.527 -0.000 0.000 0.324 130 F C 0.885 176.896 175.800 0.353 0.000 1.086 130 F CA -1.147 56.858 58.000 0.009 0.000 1.028 130 F CB 0.741 39.563 39.000 -0.296 0.000 1.284 130 F HN -0.214 nan 8.300 nan 0.000 0.501 131 N N -1.853 117.172 118.700 0.542 0.000 2.571 131 N HA 0.215 4.955 4.740 -0.000 0.000 0.273 131 N C -0.071 175.731 175.510 0.486 0.000 1.340 131 N CA -0.725 52.617 53.050 0.488 0.000 0.789 131 N CB 0.562 39.217 38.487 0.280 0.000 1.514 131 N HN 0.524 nan 8.380 nan 0.000 0.499 132 D N -0.320 120.292 120.400 0.353 0.000 2.347 132 D HA -0.357 4.283 4.640 -0.000 0.000 0.189 132 D C 1.042 177.477 176.300 0.224 0.000 1.020 132 D CA 2.732 56.890 54.000 0.265 0.000 0.875 132 D CB -1.417 39.463 40.800 0.133 0.000 0.928 132 D HN 0.655 nan 8.370 nan 0.000 0.454 133 T N 0.465 115.125 114.554 0.177 0.000 2.620 133 T HA -0.246 4.104 4.350 -0.000 0.000 0.267 133 T C 1.579 176.337 174.700 0.096 0.000 1.044 133 T CA 1.807 63.976 62.100 0.116 0.000 1.161 133 T CB -0.713 68.226 68.868 0.118 0.000 0.862 133 T HN 0.250 nan 8.240 nan 0.000 0.438 134 F N 0.762 120.707 119.950 -0.008 0.000 2.102 134 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 134 F C 1.987 177.668 175.800 -0.198 0.000 1.105 134 F CA 0.989 58.884 58.000 -0.175 0.000 1.239 134 F CB -0.614 38.218 39.000 -0.281 0.000 0.991 134 F HN 0.221 nan 8.300 nan 0.000 0.474 135 Y N 0.076 120.372 120.300 -0.007 0.000 2.373 135 Y HA -0.052 4.498 4.550 -0.000 0.000 0.293 135 Y C 2.474 178.342 175.900 -0.054 0.000 1.129 135 Y CA 1.031 59.112 58.100 -0.032 0.000 1.226 135 Y CB -0.524 37.983 38.460 0.079 0.000 1.000 135 Y HN -0.052 nan 8.280 nan 0.000 0.549 136 R N 0.347 120.867 120.500 0.033 0.000 2.127 136 R HA -0.213 4.126 4.340 -0.000 0.000 0.238 136 R C 2.046 178.229 176.300 -0.195 0.000 1.134 136 R CA 1.559 57.634 56.100 -0.042 0.000 0.975 136 R CB -0.374 29.902 30.300 -0.040 0.000 0.865 136 R HN 0.537 nan 8.270 nan 0.000 0.447 137 Q N -0.133 119.414 119.800 -0.421 0.000 2.173 137 Q HA -0.162 4.178 4.340 -0.000 0.000 0.208 137 Q C 0.061 175.530 176.000 -0.885 0.000 0.989 137 Q CA 1.127 56.480 55.803 -0.749 0.000 0.872 137 Q CB -0.223 27.778 28.738 -1.227 0.000 0.909 137 Q HN 0.208 nan 8.270 nan 0.000 0.420 138 F N -0.709 118.985 119.950 -0.427 0.000 2.371 138 F HA 0.120 4.646 4.527 -0.000 0.000 0.329 138 F C 1.510 177.145 175.800 -0.275 0.000 1.107 138 F CA -0.550 57.212 58.000 -0.397 0.000 1.137 138 F CB 0.536 39.350 39.000 -0.310 0.000 1.214 138 F HN -0.038 nan 8.300 nan 0.000 0.536 139 H N 1.481 120.617 119.070 0.110 0.000 2.465 139 H HA 0.366 4.921 4.556 -0.000 0.000 0.289 139 H C 0.229 175.591 175.328 0.057 0.000 1.022 139 H CA 0.980 57.061 56.048 0.055 0.000 1.340 139 H CB 0.437 30.228 29.762 0.049 0.000 1.437 139 H HN 0.307 nan 8.280 nan 0.000 0.539 140 I N 0.545 121.223 120.570 0.180 0.000 2.827 140 I HA 0.294 4.464 4.170 -0.000 0.000 0.298 140 I C -0.957 175.158 176.117 -0.004 0.000 1.235 140 I CA -0.666 60.677 61.300 0.071 0.000 1.021 140 I CB 3.394 41.423 38.000 0.049 0.000 1.259 140 I HN -0.198 nan 8.210 nan 0.000 0.427 141 I N 4.943 125.485 120.570 -0.047 0.000 2.447 141 I HA 0.443 4.613 4.170 -0.000 0.000 0.287 141 I C -0.909 175.153 176.117 -0.091 0.000 1.023 141 I CA -0.867 60.370 61.300 -0.105 0.000 1.083 141 I CB 2.144 40.092 38.000 -0.086 0.000 1.245 141 I HN 0.126 nan 8.210 nan 0.000 0.434 142 V N 4.987 124.836 119.914 -0.108 0.000 2.459 142 V HA 0.424 4.544 4.120 -0.000 0.000 0.295 142 V C -0.174 175.878 176.094 -0.070 0.000 1.029 142 V CA -0.555 61.690 62.300 -0.092 0.000 0.874 142 V CB 1.683 33.439 31.823 -0.111 0.000 0.985 142 V HN 0.788 nan 8.190 nan 0.000 0.438 143 C N 2.971 122.240 119.300 -0.053 0.000 2.391 143 C HA 0.870 5.330 4.460 -0.000 0.000 0.339 143 C C 1.005 175.978 174.990 -0.029 0.000 1.205 143 C CA -0.239 58.761 59.018 -0.030 0.000 1.937 143 C CB 1.177 28.911 27.740 -0.011 0.000 2.341 143 C HN 1.130 nan 8.230 nan 0.000 0.516 144 G N 2.201 110.991 108.800 -0.015 0.000 4.831 144 G HA2 0.406 4.366 3.960 -0.000 0.000 0.231 144 G HA3 0.406 4.366 3.960 -0.000 0.000 0.231 144 G C -0.349 174.551 174.900 -0.001 0.000 1.006 144 G CA -0.149 44.942 45.100 -0.015 0.000 0.792 144 G HN 0.609 nan 8.290 nan 0.000 0.546 145 L N 0.150 121.377 121.223 0.006 0.000 2.482 145 L HA 0.393 4.732 4.340 -0.000 0.000 0.242 145 L C 1.039 177.909 176.870 0.001 0.000 1.210 145 L CA -0.442 54.404 54.840 0.009 0.000 0.819 145 L CB 0.833 42.902 42.059 0.015 0.000 1.203 145 L HN 0.354 nan 8.230 nan 0.000 0.495 146 D N -2.214 118.181 120.400 -0.009 0.000 2.539 146 D HA 0.075 4.715 4.640 -0.000 0.000 0.232 146 D C -0.106 176.169 176.300 -0.041 0.000 1.256 146 D CA -0.032 53.957 54.000 -0.018 0.000 0.810 146 D CB 0.338 41.130 40.800 -0.014 0.000 1.090 146 D HN 0.396 nan 8.370 nan 0.000 0.519 147 S N -1.018 114.650 115.700 -0.054 0.000 2.627 147 S HA 0.556 5.026 4.470 -0.000 0.000 0.283 147 S C 0.804 175.326 174.600 -0.130 0.000 1.127 147 S CA -0.849 57.297 58.200 -0.089 0.000 0.863 147 S CB 1.272 64.431 63.200 -0.070 0.000 1.121 147 S HN -0.063 nan 8.310 nan 0.000 0.479 148 I N 1.016 121.460 120.570 -0.209 0.000 2.277 148 I HA -0.074 4.096 4.170 -0.000 0.000 0.243 148 I C 2.073 178.122 176.117 -0.113 0.000 1.094 148 I CA 0.836 61.964 61.300 -0.287 0.000 1.393 148 I CB -0.469 37.267 38.000 -0.440 0.000 1.078 148 I HN 0.665 nan 8.210 nan 0.000 0.417 149 I N 1.500 122.026 120.570 -0.072 0.000 2.113 149 I HA -0.360 3.810 4.170 -0.000 0.000 0.242 149 I C 2.890 179.043 176.117 0.059 0.000 1.064 149 I CA 1.761 63.060 61.300 -0.001 0.000 1.320 149 I CB -0.873 37.123 38.000 -0.008 0.000 1.028 149 I HN 0.200 nan 8.210 nan 0.000 0.406 150 A N 0.998 123.835 122.820 0.029 0.000 1.908 150 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 150 A C 2.454 180.107 177.584 0.116 0.000 1.181 150 A CA 1.628 53.707 52.037 0.070 0.000 0.627 150 A CB -0.625 18.384 19.000 0.016 0.000 0.818 150 A HN 0.366 nan 8.150 nan 0.000 0.445 151 R N -0.774 119.764 120.500 0.063 0.000 2.096 151 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 151 R C 2.447 178.798 176.300 0.085 0.000 1.127 151 R CA 1.450 57.593 56.100 0.073 0.000 0.968 151 R CB -0.284 30.060 30.300 0.074 0.000 0.861 151 R HN 0.518 nan 8.270 nan 0.000 0.440 152 R N -0.679 119.871 120.500 0.084 0.000 2.075 152 R HA -0.170 4.170 4.340 -0.000 0.000 0.232 152 R C 1.956 178.302 176.300 0.077 0.000 1.126 152 R CA 1.508 57.651 56.100 0.071 0.000 0.963 152 R CB -0.339 29.997 30.300 0.060 0.000 0.858 152 R HN 0.318 nan 8.270 nan 0.000 0.435 153 W N 1.302 122.581 121.300 -0.035 0.000 2.354 153 W HA -0.151 4.509 4.660 -0.000 0.000 0.315 153 W C 1.974 178.449 176.519 -0.073 0.000 1.206 153 W CA 1.002 58.322 57.345 -0.043 0.000 1.290 153 W CB -0.194 29.246 29.460 -0.033 0.000 1.152 153 W HN -0.066 nan 8.180 nan 0.000 0.489 154 I N 1.596 122.337 120.570 0.285 0.000 2.454 154 I HA -0.283 3.887 4.170 -0.000 0.000 0.254 154 I C 1.859 177.895 176.117 -0.135 0.000 1.156 154 I CA 1.968 63.307 61.300 0.065 0.000 1.433 154 I CB -1.331 36.732 38.000 0.104 0.000 1.082 154 I HN 0.185 nan 8.210 nan 0.000 0.432 155 N N 0.832 119.485 118.700 -0.078 0.000 2.084 155 N HA -0.126 4.613 4.740 -0.000 0.000 0.190 155 N C 1.983 177.402 175.510 -0.152 0.000 1.030 155 N CA 1.902 54.901 53.050 -0.085 0.000 0.849 155 N CB -0.482 37.989 38.487 -0.027 0.000 1.012 155 N HN 0.313 nan 8.380 nan 0.000 0.423 156 G N 0.195 108.861 108.800 -0.224 0.000 2.418 156 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.217 156 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.217 156 G C 1.489 176.188 174.900 -0.334 0.000 1.158 156 G CA 1.075 46.016 45.100 -0.266 0.000 0.771 156 G HN 0.358 nan 8.290 nan 0.000 0.545 157 M N 0.537 119.823 119.600 -0.523 0.000 2.073 157 M HA 0.029 4.508 4.480 -0.000 0.000 0.258 157 M C 2.313 178.438 176.300 -0.292 0.000 1.070 157 M CA 1.407 56.398 55.300 -0.515 0.000 1.103 157 M CB -0.555 31.590 32.600 -0.757 0.000 1.321 157 M HN 0.154 nan 8.290 nan 0.000 0.405 158 L N -0.918 120.156 121.223 -0.249 0.000 2.275 158 L HA -0.166 4.174 4.340 -0.000 0.000 0.215 158 L C 2.273 179.081 176.870 -0.103 0.000 1.119 158 L CA 0.849 55.601 54.840 -0.147 0.000 0.790 158 L CB -0.575 41.414 42.059 -0.118 0.000 0.919 158 L HN 0.395 nan 8.230 nan 0.000 0.443 159 I N -0.741 119.763 120.570 -0.110 0.000 2.400 159 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 159 I C 2.603 178.688 176.117 -0.053 0.000 1.109 159 I CA 1.132 62.392 61.300 -0.065 0.000 1.425 159 I CB -0.077 37.892 38.000 -0.050 0.000 1.094 159 I HN 0.273 nan 8.210 nan 0.000 0.425 160 S N 0.972 116.623 115.700 -0.081 0.000 2.500 160 S HA -0.062 4.407 4.470 -0.000 0.000 0.239 160 S C 1.774 176.353 174.600 -0.035 0.000 0.989 160 S CA 0.746 58.914 58.200 -0.054 0.000 0.951 160 S CB -0.601 62.547 63.200 -0.086 0.000 0.759 160 S HN 0.435 nan 8.310 nan 0.000 0.523 161 L N 0.298 121.493 121.223 -0.047 0.000 2.418 161 L HA 0.292 4.632 4.340 -0.000 0.000 0.218 161 L C 0.735 177.571 176.870 -0.056 0.000 1.125 161 L CA -0.003 54.817 54.840 -0.034 0.000 0.835 161 L CB -0.414 41.630 42.059 -0.026 0.000 0.953 161 L HN 0.280 nan 8.230 nan 0.000 0.454 162 L N 1.046 122.221 121.223 -0.081 0.000 2.514 162 L HA -0.052 4.288 4.340 -0.000 0.000 0.280 162 L C 0.185 176.952 176.870 -0.171 0.000 1.223 162 L CA 0.281 55.016 54.840 -0.175 0.000 0.864 162 L CB 0.040 41.957 42.059 -0.235 0.000 1.118 162 L HN 0.134 nan 8.230 nan 0.000 0.494 163 N N 1.880 120.430 118.700 -0.251 0.000 2.491 163 N HA 0.278 5.018 4.740 -0.000 0.000 0.274 163 N C -1.567 173.820 175.510 -0.205 0.000 1.023 163 N CA -0.450 52.515 53.050 -0.141 0.000 0.902 163 N CB 0.721 39.164 38.487 -0.073 0.000 1.267 163 N HN 0.234 nan 8.380 nan 0.000 0.503 164 Y N 1.436 121.736 120.300 0.001 0.000 2.385 164 Y HA 0.268 4.818 4.550 -0.000 0.000 0.341 164 Y C 0.261 176.163 175.900 0.003 0.000 0.965 164 Y CA -0.668 57.433 58.100 0.002 0.000 1.180 164 Y CB 1.148 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 4.761 125.038 120.200 0.127 0.000 1.802 165 E HA 0.016 4.366 4.350 -0.000 0.000 0.265 165 E C -0.685 175.964 176.600 0.082 0.000 1.168 165 E CA 0.114 56.561 56.400 0.079 0.000 1.033 165 E CB -0.255 29.471 29.700 0.044 0.000 1.095 165 E HN 0.675 nan 8.360 nan 0.000 0.436 166 D N 2.229 122.676 120.400 0.078 0.000 3.187 166 D HA -0.188 4.452 4.640 -0.000 0.000 0.244 166 D C 1.058 177.391 176.300 0.055 0.000 1.114 166 D CA 1.086 55.117 54.000 0.051 0.000 0.920 166 D CB -0.996 39.825 40.800 0.035 0.000 0.970 166 D HN 0.793 nan 8.370 nan 0.000 0.418 167 G N -0.926 107.905 108.800 0.052 0.000 2.451 167 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.253 167 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.253 167 G C 0.564 175.537 174.900 0.121 0.000 1.033 167 G CA 0.531 45.642 45.100 0.019 0.000 0.633 167 G HN 0.740 nan 8.290 nan 0.000 0.537 168 V N 2.503 122.504 119.914 0.145 0.000 2.389 168 V HA 0.531 4.651 4.120 -0.000 0.000 0.264 168 V C 0.728 176.941 176.094 0.197 0.000 1.049 168 V CA -0.473 61.919 62.300 0.154 0.000 0.932 168 V CB 1.271 33.142 31.823 0.081 0.000 1.011 168 V HN 0.528 nan 8.190 nan 0.000 0.475 169 L N 5.008 126.372 121.223 0.235 0.000 2.513 169 L HA 0.238 4.578 4.340 -0.000 0.000 0.272 169 L C 0.272 177.090 176.870 -0.087 0.000 1.187 169 L CA 0.361 55.167 54.840 -0.056 0.000 0.895 169 L CB 0.441 42.409 42.059 -0.153 0.000 1.147 169 L HN 0.747 nan 8.230 nan 0.000 0.483 170 D N 7.553 127.868 120.400 -0.142 0.000 2.339 170 D HA 0.182 4.822 4.640 -0.000 0.000 0.256 170 D C -1.666 174.572 176.300 -0.102 0.000 1.214 170 D CA -1.951 51.997 54.000 -0.086 0.000 0.877 170 D CB 1.255 42.011 40.800 -0.072 0.000 1.111 170 D HN 0.430 nan 8.370 nan 0.000 0.478 171 P HA -0.190 nan 4.420 nan 0.000 0.216 171 P C 0.999 178.271 177.300 -0.046 0.000 1.150 171 P CA 1.026 64.097 63.100 -0.050 0.000 0.837 171 P CB -0.056 31.629 31.700 -0.024 0.000 0.786 172 S N -0.285 115.393 115.700 -0.038 0.000 2.595 172 S HA -0.037 4.433 4.470 -0.000 0.000 0.235 172 S C 1.767 176.348 174.600 -0.032 0.000 0.974 172 S CA 0.901 59.085 58.200 -0.026 0.000 0.942 172 S CB -1.305 61.885 63.200 -0.017 0.000 0.766 172 S HN 0.331 nan 8.310 nan 0.000 0.536 173 S N 0.345 116.010 115.700 -0.059 0.000 2.540 173 S HA 0.381 4.851 4.470 -0.000 0.000 0.218 173 S C 0.296 174.853 174.600 -0.071 0.000 0.977 173 S CA -0.735 57.424 58.200 -0.068 0.000 0.918 173 S CB -0.534 62.604 63.200 -0.104 0.000 0.806 173 S HN 0.531 nan 8.310 nan 0.000 0.496 174 I N 2.412 122.945 120.570 -0.062 0.000 2.342 174 I HA 0.321 4.490 4.170 -0.000 0.000 0.291 174 I C -0.777 175.326 176.117 -0.022 0.000 1.010 174 I CA -0.758 60.510 61.300 -0.053 0.000 1.308 174 I CB 1.603 39.573 38.000 -0.051 0.000 1.400 174 I HN -0.023 nan 8.210 nan 0.000 0.488 175 V N 8.671 128.574 119.914 -0.018 0.000 2.313 175 V HA 0.260 4.380 4.120 -0.000 0.000 0.278 175 V C -2.145 173.945 176.094 -0.006 0.000 1.017 175 V CA -1.853 60.450 62.300 0.005 0.000 0.823 175 V CB 1.117 32.949 31.823 0.015 0.000 1.010 175 V HN 0.587 nan 8.190 nan 0.000 0.443 176 P HA 0.062 nan 4.420 nan 0.000 0.264 176 P C -0.778 176.509 177.300 -0.021 0.000 1.183 176 P CA -0.013 63.079 63.100 -0.013 0.000 0.763 176 P CB 0.438 32.133 31.700 -0.009 0.000 0.807 177 L N 5.319 126.523 121.223 -0.032 0.000 2.377 177 L HA 0.474 4.813 4.340 -0.000 0.000 0.270 177 L C -1.280 175.561 176.870 -0.048 0.000 0.991 177 L CA -0.461 54.355 54.840 -0.041 0.000 0.851 177 L CB 0.672 42.707 42.059 -0.040 0.000 1.218 177 L HN 0.105 nan 8.230 nan 0.000 0.420 178 I N 4.228 124.764 120.570 -0.058 0.000 2.331 178 I HA 0.401 4.571 4.170 -0.000 0.000 0.292 178 I C -0.257 175.817 176.117 -0.072 0.000 0.998 178 I CA -0.015 61.242 61.300 -0.072 0.000 1.267 178 I CB 1.452 39.404 38.000 -0.080 0.000 1.386 178 I HN 0.616 nan 8.210 nan 0.000 0.476 179 D N 4.272 124.624 120.400 -0.081 0.000 2.362 179 D HA 0.730 5.370 4.640 -0.000 0.000 0.247 179 D C -0.328 175.915 176.300 -0.096 0.000 1.050 179 D CA -0.442 53.518 54.000 -0.067 0.000 0.839 179 D CB 1.495 42.275 40.800 -0.034 0.000 1.283 179 D HN 0.654 nan 8.370 nan 0.000 0.477 180 G N 1.011 109.770 108.800 -0.068 0.000 2.482 180 G HA2 0.679 4.639 3.960 -0.000 0.000 0.317 180 G HA3 0.679 4.639 3.960 -0.000 0.000 0.317 180 G C -0.668 174.214 174.900 -0.030 0.000 1.241 180 G CA -0.815 44.239 45.100 -0.077 0.000 0.967 180 G HN 0.593 nan 8.290 nan 0.000 0.482 181 G N -0.907 107.880 108.800 -0.021 0.000 2.659 181 G HA2 0.645 4.604 3.960 -0.000 0.000 0.296 181 G HA3 0.645 4.604 3.960 -0.000 0.000 0.296 181 G C -1.271 173.649 174.900 0.033 0.000 1.369 181 G CA -0.364 44.757 45.100 0.036 0.000 0.937 181 G HN 0.680 nan 8.290 nan 0.000 0.485 182 T N -0.044 114.536 114.554 0.043 0.000 2.900 182 T HA 0.678 5.028 4.350 -0.000 0.000 0.303 182 T C -1.387 173.337 174.700 0.040 0.000 1.142 182 T CA -0.415 61.707 62.100 0.037 0.000 1.007 182 T CB 2.084 70.955 68.868 0.004 0.000 1.156 182 T HN 0.517 nan 8.240 nan 0.000 0.490 183 E N 1.288 121.510 120.200 0.037 0.000 2.593 183 E HA 0.439 4.789 4.350 -0.000 0.000 0.362 183 E C 0.294 176.885 176.600 -0.016 0.000 0.962 183 E CA 0.199 56.609 56.400 0.017 0.000 0.760 183 E CB 0.670 30.403 29.700 0.054 0.000 1.521 183 E HN 1.030 nan 8.360 nan 0.000 0.384 184 G N 2.447 111.179 108.800 -0.113 0.000 2.561 184 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.289 184 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.289 184 G C 0.257 174.953 174.900 -0.340 0.000 1.169 184 G CA 0.575 45.505 45.100 -0.284 0.000 0.980 184 G HN 0.482 nan 8.290 nan 0.000 0.550 185 F N 2.502 122.506 119.950 0.090 0.000 2.660 185 F HA 0.414 4.941 4.527 -0.000 0.000 0.302 185 F C 1.370 177.270 175.800 0.167 0.000 1.103 185 F CA 0.408 58.483 58.000 0.126 0.000 1.340 185 F CB 0.414 39.459 39.000 0.074 0.000 1.048 185 F HN 0.048 nan 8.300 nan 0.000 0.551 186 K N 0.020 120.574 120.400 0.255 0.000 2.208 186 K HA 0.792 5.112 4.320 -0.000 0.000 0.247 186 K C 0.007 176.755 176.600 0.246 0.000 0.953 186 K CA -0.745 55.694 56.287 0.254 0.000 0.837 186 K CB 2.037 34.646 32.500 0.181 0.000 1.131 186 K HN 0.124 nan 8.250 nan 0.000 0.431 187 G N 0.925 109.889 108.800 0.274 0.000 2.547 187 G HA2 0.315 4.275 3.960 -0.000 0.000 0.291 187 G HA3 0.315 4.275 3.960 -0.000 0.000 0.291 187 G C -1.986 172.995 174.900 0.136 0.000 1.471 187 G CA -0.733 44.468 45.100 0.170 0.000 0.798 187 G HN 0.688 nan 8.290 nan 0.000 0.504 188 N N -0.972 117.741 118.700 0.022 0.000 2.610 188 N HA 0.789 5.529 4.740 -0.000 0.000 0.264 188 N C -1.053 174.327 175.510 -0.218 0.000 1.348 188 N CA -0.364 52.625 53.050 -0.102 0.000 0.819 188 N CB 2.170 40.570 38.487 -0.145 0.000 1.521 188 N HN 1.412 nan 8.380 nan 0.000 0.497 189 A N 0.475 123.077 122.820 -0.363 0.000 2.486 189 A HA 0.796 5.116 4.320 -0.000 0.000 0.300 189 A C -0.896 176.401 177.584 -0.478 0.000 1.048 189 A CA -0.819 51.022 52.037 -0.327 0.000 0.696 189 A CB 1.771 20.635 19.000 -0.227 0.000 1.278 189 A HN 0.912 nan 8.150 nan 0.000 0.405 190 R N 0.468 120.750 120.500 -0.364 0.000 2.739 190 R HA 0.764 5.104 4.340 -0.000 0.000 0.271 190 R C -2.092 174.104 176.300 -0.173 0.000 1.010 190 R CA -0.701 55.203 56.100 -0.325 0.000 0.897 190 R CB 1.460 31.556 30.300 -0.340 0.000 1.236 190 R HN 0.421 nan 8.270 nan 0.000 0.466 191 V N 3.203 123.042 119.914 -0.126 0.000 2.378 191 V HA 0.455 4.575 4.120 -0.000 0.000 0.288 191 V C -0.014 176.049 176.094 -0.052 0.000 1.016 191 V CA -0.653 61.598 62.300 -0.081 0.000 0.840 191 V CB 1.392 33.173 31.823 -0.070 0.000 0.994 191 V HN 0.592 nan 8.190 nan 0.000 0.431 192 I N 5.705 126.250 120.570 -0.041 0.000 2.441 192 I HA 0.460 4.630 4.170 -0.000 0.000 0.295 192 I C -0.489 175.615 176.117 -0.022 0.000 0.994 192 I CA -0.529 60.757 61.300 -0.024 0.000 1.144 192 I CB 1.886 39.876 38.000 -0.018 0.000 1.314 192 I HN 0.378 nan 8.210 nan 0.000 0.445 193 L N 8.130 129.345 121.223 -0.013 0.000 2.445 193 L HA 0.346 4.686 4.340 -0.000 0.000 0.252 193 L C -2.239 174.624 176.870 -0.011 0.000 1.105 193 L CA -1.809 53.023 54.840 -0.014 0.000 0.943 193 L CB 0.816 42.869 42.059 -0.009 0.000 1.277 193 L HN 0.299 nan 8.230 nan 0.000 0.465 194 P HA -0.104 nan 4.420 nan 0.000 0.257 194 P C 0.941 178.234 177.300 -0.012 0.000 1.153 194 P CA 1.323 64.414 63.100 -0.016 0.000 0.762 194 P CB 0.727 32.407 31.700 -0.034 0.000 0.743 195 G N 2.661 111.476 108.800 0.025 0.000 2.175 195 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 195 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 195 G C 0.395 175.331 174.900 0.060 0.000 0.982 195 G CA 0.473 45.610 45.100 0.062 0.000 0.641 195 G HN 0.503 nan 8.290 nan 0.000 0.527 196 M N -1.578 118.045 119.600 0.037 0.000 1.808 196 M HA 0.170 4.650 4.480 -0.000 0.000 0.178 196 M C 0.894 177.213 176.300 0.032 0.000 1.561 196 M CA 0.667 55.989 55.300 0.036 0.000 0.862 196 M CB 0.441 33.055 32.600 0.023 0.000 1.567 196 M HN 0.054 nan 8.290 nan 0.000 0.599 197 T N 1.687 116.254 114.554 0.021 0.000 2.849 197 T HA 0.539 4.889 4.350 -0.000 0.000 0.284 197 T C -0.144 174.570 174.700 0.023 0.000 1.004 197 T CA -0.353 61.758 62.100 0.018 0.000 1.021 197 T CB 1.229 70.100 68.868 0.006 0.000 1.013 197 T HN 0.333 nan 8.240 nan 0.000 0.527 198 A N 1.175 124.011 122.820 0.027 0.000 2.546 198 A HA 0.333 4.653 4.320 -0.000 0.000 0.243 198 A C 1.070 178.673 177.584 0.033 0.000 1.063 198 A CA -0.658 51.400 52.037 0.035 0.000 0.757 198 A CB -0.882 18.144 19.000 0.043 0.000 0.991 198 A HN 1.074 nan 8.150 nan 0.000 0.503 199 C N 2.185 121.505 119.300 0.033 0.000 2.411 199 C HA 0.538 4.998 4.460 -0.000 0.000 0.358 199 C C 1.853 176.871 174.990 0.046 0.000 1.349 199 C CA -0.801 58.234 59.018 0.029 0.000 2.326 199 C CB -0.248 27.503 27.740 0.020 0.000 2.166 199 C HN 0.745 nan 8.230 nan 0.000 0.609 200 I N 0.682 121.281 120.570 0.048 0.000 2.286 200 I HA -0.111 4.059 4.170 -0.000 0.000 0.248 200 I C 2.555 178.729 176.117 0.095 0.000 1.115 200 I CA 1.783 63.133 61.300 0.084 0.000 1.392 200 I CB -1.344 36.707 38.000 0.086 0.000 1.065 200 I HN 0.824 nan 8.210 nan 0.000 0.418 201 E N 0.427 120.664 120.200 0.062 0.000 2.047 201 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 201 E C 2.424 179.054 176.600 0.050 0.000 0.987 201 E CA 1.233 57.665 56.400 0.053 0.000 0.799 201 E CB -0.302 29.414 29.700 0.026 0.000 0.752 201 E HN 0.417 nan 8.360 nan 0.000 0.449 202 C N 0.079 119.405 119.300 0.044 0.000 2.391 202 C HA -0.176 4.284 4.460 -0.000 0.000 0.276 202 C C 2.344 177.360 174.990 0.043 0.000 1.217 202 C CA 1.848 60.890 59.018 0.041 0.000 1.766 202 C CB -1.447 26.319 27.740 0.042 0.000 2.046 202 C HN 0.606 nan 8.230 nan 0.000 0.475 203 T N -1.759 112.826 114.554 0.052 0.000 3.176 203 T HA 0.199 4.548 4.350 -0.000 0.000 0.263 203 T C 1.148 175.865 174.700 0.028 0.000 1.021 203 T CA -0.095 62.026 62.100 0.034 0.000 0.905 203 T CB -0.260 68.634 68.868 0.043 0.000 1.057 203 T HN 0.261 nan 8.240 nan 0.000 0.558 204 L N 2.026 123.294 121.223 0.075 0.000 2.197 204 L HA -0.077 4.263 4.340 -0.000 0.000 0.215 204 L C 1.961 178.914 176.870 0.140 0.000 1.095 204 L CA 1.815 56.743 54.840 0.147 0.000 0.764 204 L CB -0.512 41.620 42.059 0.120 0.000 0.897 204 L HN 0.359 nan 8.230 nan 0.000 0.436 205 E N -0.984 119.251 120.200 0.059 0.000 2.502 205 E HA -0.048 4.302 4.350 -0.000 0.000 0.194 205 E C 1.908 178.515 176.600 0.013 0.000 1.062 205 E CA 0.059 56.487 56.400 0.046 0.000 0.867 205 E CB -0.075 29.638 29.700 0.021 0.000 0.888 205 E HN 0.551 nan 8.360 nan 0.000 0.510 206 L N 0.179 121.367 121.223 -0.058 0.000 2.478 206 L HA 0.001 4.341 4.340 -0.000 0.000 0.223 206 L C 0.363 177.160 176.870 -0.121 0.000 1.140 206 L CA 0.242 55.015 54.840 -0.113 0.000 0.842 206 L CB -0.096 41.859 42.059 -0.173 0.000 0.953 206 L HN 0.148 nan 8.230 nan 0.000 0.452 207 Y N 0.934 121.272 120.300 0.064 0.000 2.359 207 Y HA 0.163 4.713 4.550 -0.000 0.000 0.334 207 Y C -1.540 174.381 175.900 0.035 0.000 1.058 207 Y CA -2.351 55.782 58.100 0.056 0.000 1.244 207 Y CB 0.063 38.550 38.460 0.044 0.000 1.187 207 Y HN -0.035 nan 8.280 nan 0.000 0.510 208 P HA 0.069 nan 4.420 nan 0.000 0.271 208 P C -2.471 174.881 177.300 0.086 0.000 1.244 208 P CA -0.887 62.276 63.100 0.106 0.000 0.793 208 P CB -0.007 31.747 31.700 0.091 0.000 0.984 209 P HA 0.182 nan 4.420 nan 0.000 0.277 209 P C -1.008 176.292 177.300 0.000 0.000 1.240 209 P CA -0.467 62.646 63.100 0.021 0.000 0.798 209 P CB 0.360 32.067 31.700 0.011 0.000 0.979 210 Q N 0.415 120.200 119.800 -0.024 0.000 2.274 210 Q HA 0.355 4.695 4.340 -0.000 0.000 0.256 210 Q C -0.787 175.156 176.000 -0.095 0.000 0.927 210 Q CA -0.934 54.835 55.803 -0.056 0.000 0.939 210 Q CB 0.606 29.305 28.738 -0.066 0.000 1.201 210 Q HN 0.081 nan 8.270 nan 0.000 0.426 211 V N 4.073 123.911 119.914 -0.127 0.000 2.416 211 V HA -0.057 4.063 4.120 -0.000 0.000 0.267 211 V C 0.017 175.885 176.094 -0.377 0.000 1.007 211 V CA 0.453 62.634 62.300 -0.199 0.000 1.102 211 V CB -1.047 30.659 31.823 -0.194 0.000 1.035 211 V HN 0.813 nan 8.190 nan 0.000 0.473 212 N N 4.078 122.607 118.700 -0.285 0.000 2.400 212 N HA 0.512 5.252 4.740 -0.000 0.000 0.288 212 N C -0.874 174.508 175.510 -0.213 0.000 1.024 212 N CA -0.686 52.186 53.050 -0.298 0.000 0.894 212 N CB 1.216 39.628 38.487 -0.125 0.000 1.173 212 N HN 0.492 nan 8.380 nan 0.000 0.487 213 F N 2.743 122.710 119.950 0.028 0.000 2.411 213 F HA 0.331 4.857 4.527 -0.000 0.000 0.355 213 F C -1.710 174.076 175.800 -0.024 0.000 1.117 213 F CA -2.021 55.983 58.000 0.007 0.000 1.139 213 F CB 0.879 39.891 39.000 0.020 0.000 1.120 213 F HN 0.252 nan 8.300 nan 0.000 0.493 214 P HA 0.054 nan 4.420 nan 0.000 0.271 214 P C 0.689 178.014 177.300 0.041 0.000 1.233 214 P CA -0.138 63.001 63.100 0.065 0.000 0.764 214 P CB 0.811 32.532 31.700 0.036 0.000 0.825 215 M N 3.608 123.237 119.600 0.048 0.000 2.346 215 M HA -0.235 4.245 4.480 -0.000 0.000 0.263 215 M C 1.657 177.959 176.300 0.002 0.000 1.064 215 M CA 1.880 57.203 55.300 0.038 0.000 1.083 215 M CB -0.263 32.370 32.600 0.055 0.000 1.399 215 M HN 0.446 nan 8.290 nan 0.000 0.435 216 A N -0.040 122.777 122.820 -0.005 0.000 1.917 216 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 216 A C 2.187 179.735 177.584 -0.060 0.000 1.182 216 A CA 2.588 54.614 52.037 -0.017 0.000 0.633 216 A CB -1.456 17.538 19.000 -0.010 0.000 0.819 216 A HN 0.702 nan 8.150 nan 0.000 0.448 217 T N -2.572 111.915 114.554 -0.110 0.000 3.014 217 T HA 0.120 4.470 4.350 -0.000 0.000 0.263 217 T C 1.779 176.294 174.700 -0.308 0.000 1.078 217 T CA 1.008 62.980 62.100 -0.213 0.000 1.135 217 T CB -0.444 68.252 68.868 -0.287 0.000 0.895 217 T HN 0.349 nan 8.240 nan 0.000 0.480 218 I N 1.482 121.909 120.570 -0.238 0.000 2.252 218 I HA 0.027 4.196 4.170 -0.000 0.000 0.245 218 I C 3.041 179.093 176.117 -0.108 0.000 1.102 218 I CA 1.307 62.497 61.300 -0.184 0.000 1.385 218 I CB -0.354 37.633 38.000 -0.022 0.000 1.064 218 I HN 0.391 nan 8.210 nan 0.000 0.414 219 A N -0.819 121.975 122.820 -0.042 0.000 2.044 219 A HA 0.036 4.356 4.320 -0.000 0.000 0.213 219 A C 2.303 179.837 177.584 -0.084 0.000 1.169 219 A CA 0.988 53.022 52.037 -0.004 0.000 0.724 219 A CB -0.066 18.991 19.000 0.095 0.000 0.840 219 A HN 0.310 nan 8.150 nan 0.000 0.463 220 S N -0.344 115.302 115.700 -0.089 0.000 2.655 220 S HA 0.210 4.680 4.470 -0.000 0.000 0.231 220 S C 0.865 175.418 174.600 -0.078 0.000 1.044 220 S CA 0.691 58.862 58.200 -0.048 0.000 0.910 220 S CB -0.066 63.126 63.200 -0.014 0.000 0.833 220 S HN 0.624 nan 8.310 nan 0.000 0.581 221 M N 1.661 121.181 119.600 -0.134 0.000 2.325 221 M HA 0.515 4.994 4.480 -0.000 0.000 0.305 221 M C -3.349 172.813 176.300 -0.229 0.000 1.047 221 M CA -1.921 53.300 55.300 -0.131 0.000 0.981 221 M CB 0.848 33.417 32.600 -0.051 0.000 1.307 221 M HN -0.201 nan 8.290 nan 0.000 0.418 222 P HA 0.372 nan 4.420 nan 0.000 0.279 222 P C -0.279 176.973 177.300 -0.079 0.000 1.239 222 P CA -0.257 62.662 63.100 -0.302 0.000 0.789 222 P CB 1.022 32.355 31.700 -0.611 0.000 0.933 223 R N 1.523 122.123 120.500 0.167 0.000 2.561 223 R HA 0.303 4.642 4.340 -0.000 0.000 0.213 223 R C 0.197 176.456 176.300 -0.067 0.000 0.885 223 R CA -0.039 56.094 56.100 0.056 0.000 1.002 223 R CB 0.110 30.466 30.300 0.095 0.000 1.432 223 R HN 0.311 nan 8.270 nan 0.000 0.651 224 L N 1.344 122.400 121.223 -0.279 0.000 2.330 224 L HA 0.443 4.783 4.340 -0.000 0.000 0.271 224 L C -1.970 174.714 176.870 -0.309 0.000 1.013 224 L CA -2.459 52.151 54.840 -0.383 0.000 0.816 224 L CB 1.439 43.122 42.059 -0.627 0.000 1.287 224 L HN -0.308 nan 8.230 nan 0.000 0.435 225 P HA -0.157 nan 4.420 nan 0.000 0.216 225 P C 0.865 178.097 177.300 -0.113 0.000 1.150 225 P CA 1.119 64.163 63.100 -0.094 0.000 0.837 225 P CB 0.310 31.989 31.700 -0.035 0.000 0.786 226 E N -1.672 118.415 120.200 -0.188 0.000 2.160 226 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 226 E C 1.839 178.301 176.600 -0.231 0.000 0.991 226 E CA 1.188 57.498 56.400 -0.149 0.000 0.810 226 E CB -0.846 28.801 29.700 -0.088 0.000 0.742 226 E HN 0.549 nan 8.360 nan 0.000 0.466 227 H N -1.411 117.420 119.070 -0.398 0.000 2.389 227 H HA -0.046 4.510 4.556 -0.000 0.000 0.299 227 H C 1.886 177.084 175.328 -0.216 0.000 1.081 227 H CA 0.830 56.606 56.048 -0.452 0.000 1.345 227 H CB 0.016 29.518 29.762 -0.432 0.000 1.393 227 H HN 0.217 nan 8.280 nan 0.000 0.520 228 C N 0.547 119.825 119.300 -0.038 0.000 2.446 228 C HA -0.105 4.355 4.460 -0.000 0.000 0.277 228 C C 2.719 177.761 174.990 0.086 0.000 1.275 228 C CA 0.613 59.626 59.018 -0.008 0.000 1.727 228 C CB -0.716 27.010 27.740 -0.022 0.000 2.010 228 C HN 0.493 nan 8.230 nan 0.000 0.486 229 I N 0.810 121.418 120.570 0.062 0.000 2.202 229 I HA -0.153 4.017 4.170 -0.000 0.000 0.242 229 I C 2.616 178.803 176.117 0.117 0.000 1.091 229 I CA 1.511 62.866 61.300 0.092 0.000 1.368 229 I CB -0.664 37.382 38.000 0.077 0.000 1.058 229 I HN 0.241 nan 8.210 nan 0.000 0.410 230 E N 0.807 121.077 120.200 0.116 0.000 2.209 230 E HA -0.280 4.070 4.350 -0.000 0.000 0.196 230 E C 1.958 178.651 176.600 0.156 0.000 0.993 230 E CA 1.484 57.977 56.400 0.155 0.000 0.819 230 E CB -0.380 29.444 29.700 0.207 0.000 0.745 230 E HN 0.548 nan 8.360 nan 0.000 0.477 231 Y N -0.270 120.048 120.300 0.031 0.000 2.130 231 Y HA -0.119 4.430 4.550 -0.000 0.000 0.287 231 Y C 2.006 177.960 175.900 0.089 0.000 1.124 231 Y CA 1.703 59.826 58.100 0.038 0.000 1.118 231 Y CB -0.444 38.012 38.460 -0.007 0.000 0.994 231 Y HN -0.078 nan 8.280 nan 0.000 0.497 232 V N 1.997 121.980 119.914 0.115 0.000 2.982 232 V HA -0.260 3.860 4.120 -0.000 0.000 0.265 232 V C 2.389 178.584 176.094 0.167 0.000 1.122 232 V CA 2.228 64.568 62.300 0.066 0.000 1.143 232 V CB -0.867 30.998 31.823 0.069 0.000 0.726 232 V HN 0.452 nan 8.190 nan 0.000 0.507 233 R N -0.349 120.216 120.500 0.109 0.000 2.142 233 R HA 0.121 4.460 4.340 -0.000 0.000 0.204 233 R C 2.195 178.520 176.300 0.042 0.000 1.059 233 R CA 0.847 56.999 56.100 0.087 0.000 1.055 233 R CB -0.069 30.253 30.300 0.037 0.000 0.976 233 R HN 0.461 nan 8.270 nan 0.000 0.483 234 M N 0.262 119.878 119.600 0.027 0.000 2.334 234 M HA 0.076 4.556 4.480 -0.000 0.000 0.266 234 M C 1.024 177.322 176.300 -0.004 0.000 1.082 234 M CA 1.273 56.585 55.300 0.019 0.000 1.141 234 M CB 0.428 33.055 32.600 0.045 0.000 1.380 234 M HN 0.217 nan 8.290 nan 0.000 0.440 235 L N -1.623 119.532 121.223 -0.113 0.000 2.614 235 L HA 0.092 4.432 4.340 -0.000 0.000 0.185 235 L C 2.304 179.069 176.870 -0.175 0.000 1.098 235 L CA 0.217 54.951 54.840 -0.177 0.000 0.852 235 L CB -0.907 40.967 42.059 -0.308 0.000 1.213 235 L HN 0.188 nan 8.230 nan 0.000 0.491 236 Q N 0.215 119.781 119.800 -0.389 0.000 2.152 236 Q HA -0.265 4.075 4.340 -0.000 0.000 0.206 236 Q C 2.101 178.249 176.000 0.246 0.000 0.985 236 Q CA 2.139 57.886 55.803 -0.094 0.000 0.863 236 Q CB -0.134 28.547 28.738 -0.095 0.000 0.904 236 Q HN 0.564 nan 8.270 nan 0.000 0.422 237 W N 1.054 122.441 121.300 0.145 0.000 2.353 237 W HA -0.085 4.575 4.660 -0.000 0.000 0.319 237 W C -1.229 175.288 176.519 -0.003 0.000 1.207 237 W CA 1.468 58.897 57.345 0.140 0.000 1.291 237 W CB -1.501 28.029 29.460 0.117 0.000 1.159 237 W HN 0.153 nan 8.180 nan 0.000 0.478 238 P HA -0.224 nan 4.420 nan 0.000 0.213 238 P C 1.475 178.796 177.300 0.035 0.000 1.170 238 P CA 2.732 65.942 63.100 0.182 0.000 0.898 238 P CB -0.377 31.413 31.700 0.151 0.000 0.787 239 K N 0.420 120.844 120.400 0.039 0.000 2.304 239 K HA -0.198 4.122 4.320 -0.000 0.000 0.204 239 K C 0.751 177.343 176.600 -0.013 0.000 1.044 239 K CA 1.572 57.869 56.287 0.016 0.000 0.932 239 K CB -0.629 31.888 32.500 0.027 0.000 0.735 239 K HN 0.389 nan 8.250 nan 0.000 0.468 240 E N -0.604 119.560 120.200 -0.060 0.000 4.170 240 E HA 0.076 4.426 4.350 -0.000 0.000 0.199 240 E C -0.963 175.459 176.600 -0.297 0.000 1.080 240 E CA -0.443 55.889 56.400 -0.114 0.000 1.446 240 E CB 0.029 29.714 29.700 -0.025 0.000 1.170 240 E HN -0.060 nan 8.360 nan 0.000 0.429 241 Q N 0.605 120.199 119.800 -0.343 0.000 2.290 241 Q HA -0.175 4.164 4.340 -0.000 0.000 0.356 241 Q C -1.579 174.015 176.000 -0.676 0.000 1.183 241 Q CA 0.509 56.017 55.803 -0.491 0.000 1.184 241 Q CB -0.760 27.823 28.738 -0.258 0.000 1.368 241 Q HN 0.464 nan 8.270 nan 0.000 0.295 242 P HA -0.193 nan 4.420 nan 0.000 0.216 242 P C 0.386 177.147 177.300 -0.898 0.000 1.167 242 P CA 1.434 63.735 63.100 -1.331 0.000 0.914 242 P CB 0.046 30.272 31.700 -2.457 0.000 0.793 243 F N -0.785 118.599 119.950 -0.943 0.000 2.975 243 F HA 0.533 5.060 4.527 -0.000 0.000 0.311 243 F C 1.159 176.800 175.800 -0.264 0.000 1.239 243 F CA -0.141 57.590 58.000 -0.447 0.000 1.282 243 F CB -0.256 38.600 39.000 -0.241 0.000 1.071 243 F HN -0.047 nan 8.300 nan 0.000 0.516 244 G N 0.439 109.128 108.800 -0.185 0.000 2.712 244 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 244 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 244 G C -0.530 174.306 174.900 -0.106 0.000 1.181 244 G CA -1.223 43.810 45.100 -0.110 0.000 0.762 244 G HN 0.238 nan 8.290 nan 0.000 0.641 245 E N 0.209 120.359 120.200 -0.084 0.000 2.413 245 E HA 0.378 4.728 4.350 -0.000 0.000 0.263 245 E C 1.544 178.131 176.600 -0.021 0.000 1.015 245 E CA 1.195 57.557 56.400 -0.064 0.000 0.916 245 E CB 0.695 30.365 29.700 -0.049 0.000 0.947 245 E HN 2.115 nan 8.360 nan 0.000 0.440 246 G N 1.787 110.585 108.800 -0.004 0.000 2.377 246 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.250 246 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.250 246 G C 0.466 175.407 174.900 0.068 0.000 1.039 246 G CA 0.285 45.403 45.100 0.030 0.000 0.625 246 G HN 0.460 nan 8.290 nan 0.000 0.526 247 V N 3.375 123.334 119.914 0.074 0.000 2.493 247 V HA 0.333 4.453 4.120 -0.000 0.000 0.292 247 V C -1.104 175.156 176.094 0.277 0.000 1.016 247 V CA -0.311 62.077 62.300 0.146 0.000 1.097 247 V CB 0.770 32.683 31.823 0.150 0.000 0.947 247 V HN 0.273 nan 8.190 nan 0.000 0.479 248 P HA 0.285 nan 4.420 nan 0.000 0.279 248 P C -0.644 176.748 177.300 0.153 0.000 1.252 248 P CA -0.762 62.460 63.100 0.203 0.000 0.811 248 P CB 0.628 32.369 31.700 0.069 0.000 1.035 249 L N 2.048 123.059 121.223 -0.353 0.000 2.369 249 L HA 0.263 4.602 4.340 -0.000 0.000 0.279 249 L C -0.388 176.303 176.870 -0.298 0.000 1.108 249 L CA 0.061 54.334 54.840 -0.945 0.000 0.852 249 L CB -0.759 40.337 42.059 -1.605 0.000 1.169 249 L HN 0.214 nan 8.230 nan 0.000 0.452 250 D N 3.202 123.635 120.400 0.055 0.000 2.428 250 D HA 0.365 5.004 4.640 -0.000 0.000 0.221 250 D C 1.320 177.526 176.300 -0.156 0.000 1.123 250 D CA 0.235 54.161 54.000 -0.124 0.000 0.869 250 D CB 1.264 41.886 40.800 -0.296 0.000 1.032 250 D HN 0.735 nan 8.370 nan 0.000 0.506 251 G N 3.018 111.731 108.800 -0.144 0.000 2.527 251 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 251 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 251 G C 0.945 175.786 174.900 -0.099 0.000 1.117 251 G CA 0.371 45.400 45.100 -0.118 0.000 0.759 251 G HN 0.540 nan 8.290 nan 0.000 0.556 252 D N -0.281 120.052 120.400 -0.113 0.000 2.369 252 D HA 0.013 4.653 4.640 -0.000 0.000 0.211 252 D C -0.080 176.158 176.300 -0.104 0.000 1.077 252 D CA -0.094 53.853 54.000 -0.089 0.000 0.842 252 D CB 0.443 41.195 40.800 -0.080 0.000 0.947 252 D HN 0.165 nan 8.370 nan 0.000 0.509 253 D N 1.527 121.814 120.400 -0.188 0.000 2.352 253 D HA 0.062 4.702 4.640 -0.000 0.000 0.245 253 D C -1.674 174.585 176.300 -0.068 0.000 1.224 253 D CA -1.953 51.893 54.000 -0.256 0.000 0.879 253 D CB 2.021 42.355 40.800 -0.777 0.000 1.057 253 D HN -0.111 nan 8.370 nan 0.000 0.491 254 P HA -0.152 nan 4.420 nan 0.000 0.217 254 P C 0.805 178.252 177.300 0.247 0.000 1.148 254 P CA 1.177 64.373 63.100 0.160 0.000 0.834 254 P CB 0.366 32.143 31.700 0.128 0.000 0.783 255 E N -2.008 118.327 120.200 0.225 0.000 2.152 255 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 255 E C 1.949 178.886 176.600 0.562 0.000 0.983 255 E CA 0.664 57.310 56.400 0.411 0.000 0.818 255 E CB -0.445 29.548 29.700 0.489 0.000 0.758 255 E HN 0.548 nan 8.360 nan 0.000 0.467 256 H N 0.330 119.445 119.070 0.074 0.000 2.363 256 H HA -0.021 4.534 4.556 -0.000 0.000 0.301 256 H C 2.269 177.789 175.328 0.320 0.000 1.074 256 H CA 0.696 56.772 56.048 0.046 0.000 1.354 256 H CB 0.180 29.802 29.762 -0.234 0.000 1.397 256 H HN 0.096 nan 8.280 nan 0.000 0.516 257 I N 0.740 121.516 120.570 0.343 0.000 2.252 257 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 257 I C 2.656 179.034 176.117 0.435 0.000 1.102 257 I CA 0.970 62.424 61.300 0.257 0.000 1.385 257 I CB -0.097 37.943 38.000 0.065 0.000 1.064 257 I HN 0.204 nan 8.210 nan 0.000 0.414 258 Q N 0.404 120.537 119.800 0.556 0.000 2.135 258 Q HA -0.271 4.069 4.340 -0.000 0.000 0.204 258 Q C 1.889 178.217 176.000 0.547 0.000 0.981 258 Q CA 1.942 58.110 55.803 0.608 0.000 0.856 258 Q CB -0.511 28.515 28.738 0.479 0.000 0.902 258 Q HN 0.574 nan 8.270 nan 0.000 0.425 259 W N -0.064 121.492 121.300 0.426 0.000 2.381 259 W HA -0.034 4.626 4.660 -0.000 0.000 0.301 259 W C 1.519 178.230 176.519 0.320 0.000 1.205 259 W CA 1.455 59.026 57.345 0.377 0.000 1.285 259 W CB -0.145 29.637 29.460 0.536 0.000 1.133 259 W HN 0.167 nan 8.180 nan 0.000 0.521 260 I N -0.278 120.557 120.570 0.443 0.000 2.286 260 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 260 I C 2.378 178.566 176.117 0.119 0.000 1.104 260 I CA 1.145 62.565 61.300 0.200 0.000 1.397 260 I CB -0.936 37.249 38.000 0.308 0.000 1.072 260 I HN -0.038 nan 8.210 nan 0.000 0.417 261 F N 2.181 122.180 119.950 0.081 0.000 2.095 261 F HA -0.296 4.231 4.527 -0.000 0.000 0.298 261 F C 2.529 178.344 175.800 0.026 0.000 1.104 261 F CA 2.010 60.056 58.000 0.078 0.000 1.232 261 F CB -0.658 38.474 39.000 0.220 0.000 0.987 261 F HN 0.014 nan 8.300 nan 0.000 0.475 262 Q N 1.068 120.756 119.800 -0.186 0.000 1.975 262 Q HA -0.185 4.155 4.340 -0.000 0.000 0.205 262 Q C 2.150 177.941 176.000 -0.348 0.000 0.990 262 Q CA 2.132 57.724 55.803 -0.351 0.000 0.845 262 Q CB -0.433 28.187 28.738 -0.197 0.000 0.913 262 Q HN 0.166 nan 8.270 nan 0.000 0.420 263 K N -0.057 120.085 120.400 -0.429 0.000 2.281 263 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 263 K C 2.174 178.658 176.600 -0.193 0.000 1.046 263 K CA 1.094 57.142 56.287 -0.399 0.000 0.938 263 K CB -0.307 31.749 32.500 -0.741 0.000 0.737 263 K HN 0.139 nan 8.250 nan 0.000 0.458 264 S N 1.098 116.708 115.700 -0.150 0.000 2.377 264 S HA 0.067 4.536 4.470 -0.000 0.000 0.223 264 S C 2.005 176.559 174.600 -0.077 0.000 1.030 264 S CA 0.381 58.554 58.200 -0.045 0.000 0.970 264 S CB -0.043 63.180 63.200 0.038 0.000 0.830 264 S HN 0.175 nan 8.310 nan 0.000 0.473 265 L N 1.489 122.598 121.223 -0.190 0.000 2.042 265 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 265 L C 2.498 179.301 176.870 -0.112 0.000 1.076 265 L CA 1.378 56.105 54.840 -0.189 0.000 0.749 265 L CB -0.584 41.266 42.059 -0.349 0.000 0.893 265 L HN 0.374 nan 8.230 nan 0.000 0.432 266 E N -0.389 119.739 120.200 -0.121 0.000 2.031 266 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 266 E C 2.241 178.828 176.600 -0.022 0.000 0.994 266 E CA 1.096 57.452 56.400 -0.074 0.000 0.800 266 E CB -0.106 29.542 29.700 -0.086 0.000 0.752 266 E HN 0.218 nan 8.360 nan 0.000 0.447 267 R N 1.071 121.570 120.500 -0.002 0.000 2.091 267 R HA -0.124 4.215 4.340 -0.000 0.000 0.238 267 R C 2.052 178.408 176.300 0.093 0.000 1.136 267 R CA 1.603 57.731 56.100 0.047 0.000 0.959 267 R CB -0.537 29.776 30.300 0.021 0.000 0.856 267 R HN 0.180 nan 8.270 nan 0.000 0.437 268 A N -0.881 121.961 122.820 0.037 0.000 1.902 268 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 268 A C 2.273 179.894 177.584 0.061 0.000 1.181 268 A CA 1.861 53.925 52.037 0.044 0.000 0.623 268 A CB -1.055 17.953 19.000 0.013 0.000 0.818 268 A HN 0.441 nan 8.150 nan 0.000 0.443 269 S N -0.880 114.833 115.700 0.021 0.000 2.383 269 S HA -0.234 4.236 4.470 -0.000 0.000 0.229 269 S C 2.156 176.756 174.600 -0.000 0.000 1.030 269 S CA 1.711 59.912 58.200 0.002 0.000 1.002 269 S CB -0.383 62.803 63.200 -0.024 0.000 0.829 269 S HN 0.664 nan 8.310 nan 0.000 0.467 270 Q N -0.827 118.979 119.800 0.010 0.000 2.002 270 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 270 Q C 1.041 176.941 176.000 -0.167 0.000 0.988 270 Q CA 1.907 57.658 55.803 -0.087 0.000 0.843 270 Q CB -0.251 28.434 28.738 -0.088 0.000 0.908 270 Q HN 0.705 nan 8.270 nan 0.000 0.420 271 Y N 1.446 121.710 120.300 -0.059 0.000 2.495 271 Y HA 0.041 4.591 4.550 -0.000 0.000 0.293 271 Y C 0.104 175.982 175.900 -0.037 0.000 1.186 271 Y CA -0.138 57.932 58.100 -0.050 0.000 1.266 271 Y CB -0.577 37.849 38.460 -0.058 0.000 1.101 271 Y HN 0.271 nan 8.280 nan 0.000 0.517 272 N N 0.717 119.461 118.700 0.074 0.000 2.691 272 N HA -0.278 4.462 4.740 -0.000 0.000 0.277 272 N C -0.862 174.677 175.510 0.047 0.000 1.029 272 N CA 0.725 53.798 53.050 0.039 0.000 0.798 272 N CB -1.568 36.926 38.487 0.011 0.000 0.922 272 N HN 0.493 nan 8.380 nan 0.000 0.562 273 I N 0.644 121.244 120.570 0.050 0.000 2.404 273 I HA 0.346 4.516 4.170 -0.000 0.000 0.293 273 I C 1.045 177.172 176.117 0.018 0.000 0.992 273 I CA -0.859 60.458 61.300 0.028 0.000 1.149 273 I CB 1.406 39.413 38.000 0.013 0.000 1.315 273 I HN 0.111 nan 8.210 nan 0.000 0.446 274 R N 3.146 123.654 120.500 0.013 0.000 2.607 274 R HA 0.644 4.984 4.340 -0.000 0.000 0.261 274 R C 0.715 177.026 176.300 0.018 0.000 1.051 274 R CA -0.273 55.838 56.100 0.018 0.000 1.110 274 R CB 0.927 31.237 30.300 0.018 0.000 1.158 274 R HN 0.936 nan 8.270 nan 0.000 0.543 275 G N -0.322 108.499 108.800 0.035 0.000 2.179 275 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.220 275 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.220 275 G C -0.192 174.746 174.900 0.063 0.000 0.990 275 G CA -0.356 44.767 45.100 0.038 0.000 0.646 275 G HN 0.358 nan 8.290 nan 0.000 0.517 276 V N 2.111 122.082 119.914 0.095 0.000 2.405 276 V HA 0.593 4.713 4.120 -0.000 0.000 0.264 276 V C 0.854 177.134 176.094 0.310 0.000 1.048 276 V CA 0.943 63.344 62.300 0.168 0.000 0.966 276 V CB 0.975 32.889 31.823 0.152 0.000 1.015 276 V HN 0.528 nan 8.190 nan 0.000 0.477 277 T N 3.516 118.203 114.554 0.222 0.000 2.932 277 T HA 0.372 4.721 4.350 -0.000 0.000 0.289 277 T C 0.569 175.156 174.700 -0.188 0.000 1.039 277 T CA -0.402 61.768 62.100 0.118 0.000 1.024 277 T CB 1.274 70.166 68.868 0.040 0.000 1.090 277 T HN 0.504 nan 8.240 nan 0.000 0.496 278 Y N 2.804 122.636 120.300 -0.781 0.000 2.181 278 Y HA -0.015 4.535 4.550 -0.000 0.000 0.288 278 Y C 2.734 178.420 175.900 -0.357 0.000 1.146 278 Y CA 2.195 59.725 58.100 -0.949 0.000 1.164 278 Y CB -0.065 37.896 38.460 -0.831 0.000 0.982 278 Y HN 0.701 nan 8.280 nan 0.000 0.515 279 R N -0.238 120.169 120.500 -0.155 0.000 2.105 279 R HA -0.190 4.150 4.340 -0.000 0.000 0.239 279 R C 2.155 178.375 176.300 -0.133 0.000 1.135 279 R CA 1.721 57.750 56.100 -0.119 0.000 0.967 279 R CB -0.588 29.696 30.300 -0.027 0.000 0.861 279 R HN 0.465 nan 8.270 nan 0.000 0.442 280 L N 0.691 121.858 121.223 -0.094 0.000 2.141 280 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 280 L C 1.797 178.628 176.870 -0.065 0.000 1.094 280 L CA 1.920 56.731 54.840 -0.049 0.000 0.763 280 L CB -0.524 41.533 42.059 -0.002 0.000 0.908 280 L HN 0.133 nan 8.230 nan 0.000 0.437 281 T N -0.594 113.890 114.554 -0.117 0.000 2.708 281 T HA -0.219 4.130 4.350 -0.000 0.000 0.266 281 T C 1.792 176.400 174.700 -0.153 0.000 1.037 281 T CA 1.871 63.911 62.100 -0.100 0.000 1.146 281 T CB -0.213 68.581 68.868 -0.123 0.000 0.865 281 T HN 0.490 nan 8.240 nan 0.000 0.435 282 Q N 0.387 120.023 119.800 -0.273 0.000 2.050 282 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 282 Q C 2.795 178.726 176.000 -0.115 0.000 0.980 282 Q CA 1.409 57.081 55.803 -0.218 0.000 0.840 282 Q CB -0.619 27.965 28.738 -0.258 0.000 0.898 282 Q HN 0.602 nan 8.270 nan 0.000 0.424 283 G N 0.771 109.515 108.800 -0.093 0.000 2.514 283 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 283 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 283 G C 1.553 176.440 174.900 -0.023 0.000 1.198 283 G CA 1.307 46.379 45.100 -0.048 0.000 0.780 283 G HN 0.229 nan 8.290 nan 0.000 0.565 284 V N 0.334 120.247 119.914 -0.002 0.000 2.255 284 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 284 V C 3.031 179.139 176.094 0.022 0.000 1.051 284 V CA 1.640 63.966 62.300 0.043 0.000 1.018 284 V CB -0.694 31.176 31.823 0.078 0.000 0.641 284 V HN 0.242 nan 8.190 nan 0.000 0.445 285 V N -0.359 119.549 119.914 -0.010 0.000 2.295 285 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 285 V C 2.239 178.303 176.094 -0.050 0.000 1.049 285 V CA 2.044 64.324 62.300 -0.033 0.000 1.024 285 V CB -0.604 31.185 31.823 -0.057 0.000 0.648 285 V HN 0.514 nan 8.190 nan 0.000 0.447 286 K N -0.697 119.669 120.400 -0.056 0.000 2.444 286 K HA 0.104 4.424 4.320 -0.000 0.000 0.193 286 K C 0.279 176.852 176.600 -0.046 0.000 1.024 286 K CA -0.210 56.042 56.287 -0.058 0.000 1.077 286 K CB 0.199 32.662 32.500 -0.062 0.000 0.833 286 K HN 0.149 nan 8.250 nan 0.000 0.517 287 R N 0.850 121.329 120.500 -0.035 0.000 3.405 287 R HA -0.193 4.147 4.340 -0.000 0.000 0.258 287 R C -0.364 175.916 176.300 -0.034 0.000 1.030 287 R CA 0.581 56.662 56.100 -0.032 0.000 0.691 287 R CB -2.772 27.503 30.300 -0.041 0.000 1.093 287 R HN 0.340 nan 8.270 nan 0.000 0.448 288 I N 0.916 121.466 120.570 -0.033 0.000 2.815 288 I HA -0.057 4.113 4.170 -0.000 0.000 0.291 288 I C 1.389 177.489 176.117 -0.029 0.000 1.209 288 I CA 0.647 61.928 61.300 -0.033 0.000 1.431 288 I CB 0.333 38.311 38.000 -0.036 0.000 1.351 288 I HN 0.064 nan 8.210 nan 0.000 0.585 289 I N 7.708 128.260 120.570 -0.030 0.000 2.362 289 I HA 0.292 4.462 4.170 -0.000 0.000 0.289 289 I C -2.037 174.054 176.117 -0.042 0.000 0.994 289 I CA -1.893 59.389 61.300 -0.030 0.000 1.158 289 I CB 1.405 39.390 38.000 -0.025 0.000 1.315 289 I HN 0.333 nan 8.210 nan 0.000 0.451 290 P HA 0.257 nan 4.420 nan 0.000 0.266 290 P C -0.954 176.277 177.300 -0.115 0.000 1.195 290 P CA -0.071 62.982 63.100 -0.079 0.000 0.768 290 P CB 0.714 32.361 31.700 -0.087 0.000 0.838 291 A N 1.792 124.541 122.820 -0.118 0.000 2.594 291 A HA 0.714 5.034 4.320 -0.000 0.000 0.295 291 A C -0.870 176.641 177.584 -0.121 0.000 1.071 291 A CA -0.510 51.452 52.037 -0.126 0.000 0.685 291 A CB 1.450 20.408 19.000 -0.069 0.000 1.285 291 A HN 0.417 nan 8.150 nan 0.000 0.405 292 V N -1.766 118.072 119.914 -0.127 0.000 3.159 292 V HA 0.863 4.983 4.120 -0.000 0.000 0.308 292 V C 0.969 177.047 176.094 -0.026 0.000 1.190 292 V CA -0.072 62.187 62.300 -0.069 0.000 1.037 292 V CB 0.998 32.777 31.823 -0.073 0.000 1.060 292 V HN 2.013 nan 8.190 nan 0.000 0.437 293 A N 1.500 124.321 122.820 0.000 0.000 1.883 293 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 293 A C 2.394 179.975 177.584 -0.004 0.000 1.186 293 A CA 3.007 55.045 52.037 0.001 0.000 0.624 293 A CB -1.237 17.761 19.000 -0.004 0.000 0.822 293 A HN 1.839 nan 8.150 nan 0.000 0.444 294 S N -0.327 115.389 115.700 0.026 0.000 2.380 294 S HA -0.274 4.196 4.470 -0.000 0.000 0.229 294 S C 1.868 176.483 174.600 0.025 0.000 1.050 294 S CA 2.389 60.617 58.200 0.046 0.000 1.100 294 S CB -1.684 61.599 63.200 0.137 0.000 0.984 294 S HN 0.535 nan 8.310 nan 0.000 0.434 295 T N 2.799 117.395 114.554 0.069 0.000 2.720 295 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 295 T C 1.842 176.502 174.700 -0.067 0.000 1.037 295 T CA 1.446 63.570 62.100 0.040 0.000 1.144 295 T CB -0.624 68.308 68.868 0.106 0.000 0.864 295 T HN 0.437 nan 8.240 nan 0.000 0.444 296 N N 1.329 120.002 118.700 -0.046 0.000 2.120 296 N HA -0.018 4.721 4.740 -0.000 0.000 0.188 296 N C 2.222 177.684 175.510 -0.081 0.000 1.024 296 N CA 1.298 54.315 53.050 -0.055 0.000 0.852 296 N CB -0.504 37.968 38.487 -0.026 0.000 1.003 296 N HN 0.429 nan 8.380 nan 0.000 0.424 297 A N 1.037 123.807 122.820 -0.083 0.000 1.883 297 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 297 A C 2.566 180.058 177.584 -0.153 0.000 1.186 297 A CA 1.520 53.493 52.037 -0.106 0.000 0.624 297 A CB -0.857 18.077 19.000 -0.111 0.000 0.822 297 A HN 0.105 nan 8.150 nan 0.000 0.444 298 V N 0.531 120.313 119.914 -0.219 0.000 2.237 298 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 298 V C 2.461 178.365 176.094 -0.317 0.000 1.046 298 V CA 1.912 64.003 62.300 -0.348 0.000 1.007 298 V CB -0.710 30.693 31.823 -0.700 0.000 0.638 298 V HN 0.516 nan 8.190 nan 0.000 0.445 299 I N 0.672 121.070 120.570 -0.287 0.000 2.179 299 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 299 I C 2.699 178.723 176.117 -0.155 0.000 1.088 299 I CA 2.014 63.189 61.300 -0.209 0.000 1.357 299 I CB -1.711 36.200 38.000 -0.150 0.000 1.051 299 I HN 0.321 nan 8.210 nan 0.000 0.409 300 A N 0.746 123.490 122.820 -0.126 0.000 1.972 300 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 300 A C 2.559 180.081 177.584 -0.104 0.000 1.169 300 A CA 1.804 53.783 52.037 -0.097 0.000 0.635 300 A CB -0.668 18.293 19.000 -0.066 0.000 0.810 300 A HN 0.417 nan 8.150 nan 0.000 0.446 301 A N -0.521 122.225 122.820 -0.122 0.000 1.898 301 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 301 A C 2.229 179.737 177.584 -0.127 0.000 1.181 301 A CA 1.722 53.686 52.037 -0.122 0.000 0.620 301 A CB -0.873 18.044 19.000 -0.138 0.000 0.819 301 A HN 0.352 nan 8.150 nan 0.000 0.442 302 V N -0.657 119.170 119.914 -0.145 0.000 2.261 302 V HA -0.332 3.788 4.120 -0.000 0.000 0.246 302 V C 2.691 178.715 176.094 -0.117 0.000 1.047 302 V CA 2.113 64.329 62.300 -0.139 0.000 1.015 302 V CB -1.219 30.510 31.823 -0.158 0.000 0.642 302 V HN 0.707 nan 8.190 nan 0.000 0.446 303 C N 0.305 119.534 119.300 -0.119 0.000 2.401 303 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 303 C C 3.104 178.041 174.990 -0.087 0.000 1.233 303 C CA 0.912 59.867 59.018 -0.105 0.000 1.753 303 C CB -1.464 26.212 27.740 -0.106 0.000 2.029 303 C HN 0.654 nan 8.230 nan 0.000 0.478 304 A N 0.219 122.988 122.820 -0.086 0.000 1.858 304 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 304 A C 2.195 179.769 177.584 -0.017 0.000 1.190 304 A CA 2.583 54.578 52.037 -0.071 0.000 0.617 304 A CB -1.345 17.615 19.000 -0.066 0.000 0.827 304 A HN 0.546 nan 8.150 nan 0.000 0.443 305 T N -0.302 114.227 114.554 -0.042 0.000 2.721 305 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 305 T C 1.848 176.584 174.700 0.059 0.000 1.038 305 T CA 1.938 64.023 62.100 -0.024 0.000 1.145 305 T CB -0.266 68.538 68.868 -0.107 0.000 0.858 305 T HN 0.512 nan 8.240 nan 0.000 0.459 306 E N 0.276 120.480 120.200 0.005 0.000 2.150 306 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 306 E C 2.186 178.810 176.600 0.040 0.000 0.985 306 E CA 0.330 56.737 56.400 0.011 0.000 0.814 306 E CB -0.385 29.290 29.700 -0.041 0.000 0.752 306 E HN 0.282 nan 8.360 nan 0.000 0.466 307 V N 0.434 120.364 119.914 0.028 0.000 2.358 307 V HA -0.195 3.924 4.120 -0.000 0.000 0.246 307 V C 1.996 178.190 176.094 0.167 0.000 1.047 307 V CA 1.663 63.970 62.300 0.012 0.000 1.035 307 V CB -0.549 31.186 31.823 -0.147 0.000 0.658 307 V HN 0.271 nan 8.190 nan 0.000 0.452 308 F N 1.232 121.259 119.950 0.128 0.000 2.095 308 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 308 F C 2.408 178.307 175.800 0.164 0.000 1.104 308 F CA 1.937 60.094 58.000 0.262 0.000 1.232 308 F CB -0.263 38.839 39.000 0.169 0.000 0.987 308 F HN -0.003 nan 8.300 nan 0.000 0.475 309 K N 0.379 120.915 120.400 0.227 0.000 2.020 309 K HA -0.212 4.108 4.320 -0.000 0.000 0.212 309 K C 2.122 178.718 176.600 -0.007 0.000 1.050 309 K CA 2.236 58.600 56.287 0.128 0.000 0.929 309 K CB -0.544 32.050 32.500 0.157 0.000 0.714 309 K HN 0.350 nan 8.250 nan 0.000 0.443 310 I N 0.813 121.383 120.570 0.001 0.000 2.264 310 I HA -0.272 3.897 4.170 -0.000 0.000 0.248 310 I C 2.308 178.393 176.117 -0.053 0.000 1.111 310 I CA 1.158 62.435 61.300 -0.038 0.000 1.382 310 I CB -0.294 37.698 38.000 -0.013 0.000 1.060 310 I HN 0.191 nan 8.210 nan 0.000 0.418 311 A N -0.087 122.714 122.820 -0.031 0.000 2.123 311 A HA -0.064 4.256 4.320 -0.000 0.000 0.214 311 A C 2.062 179.540 177.584 -0.176 0.000 1.152 311 A CA 1.538 53.544 52.037 -0.051 0.000 0.728 311 A CB -0.498 18.570 19.000 0.113 0.000 0.814 311 A HN 0.505 nan 8.150 nan 0.000 0.464 312 T N -6.537 107.869 114.554 -0.247 0.000 2.975 312 T HA 0.218 4.568 4.350 -0.000 0.000 0.261 312 T C 0.731 175.443 174.700 0.020 0.000 0.984 312 T CA 0.934 62.906 62.100 -0.213 0.000 0.911 312 T CB -0.010 68.563 68.868 -0.492 0.000 1.127 312 T HN 0.463 nan 8.240 nan 0.000 0.514 313 S N 0.664 116.364 115.700 0.000 0.000 3.358 313 S HA -0.256 4.214 4.470 -0.000 0.000 0.309 313 S C 1.540 176.277 174.600 0.229 0.000 1.247 313 S CA 0.674 58.933 58.200 0.098 0.000 0.961 313 S CB -1.855 61.449 63.200 0.173 0.000 1.074 313 S HN 1.110 nan 8.310 nan 0.000 0.625 314 A N -1.277 121.623 122.820 0.132 0.000 2.070 314 A HA 0.298 4.618 4.320 -0.000 0.000 0.220 314 A C 0.590 177.890 177.584 -0.473 0.000 1.159 314 A CA 1.391 53.327 52.037 -0.169 0.000 0.656 314 A CB -0.068 19.062 19.000 0.216 0.000 0.800 314 A HN 0.690 nan 8.150 nan 0.000 0.453 315 Y N -2.911 117.431 120.300 0.070 0.000 2.840 315 Y HA 0.521 5.071 4.550 -0.000 0.000 0.324 315 Y C -0.801 175.174 175.900 0.126 0.000 1.378 315 Y CA -1.363 56.794 58.100 0.097 0.000 1.077 315 Y CB 0.973 39.484 38.460 0.084 0.000 1.361 315 Y HN -0.029 nan 8.280 nan 0.000 0.459 316 I N 2.375 123.144 120.570 0.332 0.000 2.325 316 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 316 I C -2.557 173.650 176.117 0.150 0.000 1.019 316 I CA -1.959 59.485 61.300 0.240 0.000 1.302 316 I CB 0.164 38.294 38.000 0.217 0.000 1.401 316 I HN 0.164 nan 8.210 nan 0.000 0.485 317 P HA -0.006 nan 4.420 nan 0.000 0.265 317 P C -0.315 176.996 177.300 0.017 0.000 1.187 317 P CA -0.397 62.726 63.100 0.038 0.000 0.766 317 P CB 0.371 32.075 31.700 0.007 0.000 0.820 318 L N 3.096 124.308 121.223 -0.018 0.000 2.529 318 L HA -0.008 4.332 4.340 -0.000 0.000 0.287 318 L C 0.520 177.359 176.870 -0.052 0.000 1.241 318 L CA 0.693 55.504 54.840 -0.049 0.000 0.857 318 L CB -0.385 41.623 42.059 -0.086 0.000 1.113 318 L HN 0.280 nan 8.230 nan 0.000 0.504 319 N N 3.428 122.090 118.700 -0.063 0.000 3.124 319 N HA 0.019 4.758 4.740 -0.000 0.000 0.284 319 N C 0.445 175.886 175.510 -0.114 0.000 1.209 319 N CA 0.768 53.780 53.050 -0.064 0.000 1.149 319 N CB -0.761 37.700 38.487 -0.043 0.000 1.434 319 N HN 0.811 nan 8.380 nan 0.000 0.529 320 N N -0.302 118.336 118.700 -0.104 0.000 2.717 320 N HA -0.300 4.440 4.740 -0.000 0.000 0.248 320 N C -0.881 174.542 175.510 -0.146 0.000 1.099 320 N CA 1.486 54.469 53.050 -0.112 0.000 0.843 320 N CB -1.827 36.622 38.487 -0.064 0.000 1.155 320 N HN 0.516 nan 8.380 nan 0.000 0.580 321 Y N -1.430 118.626 120.300 -0.407 0.000 2.337 321 Y HA 0.474 5.024 4.550 -0.000 0.000 0.318 321 Y C -1.844 173.783 175.900 -0.456 0.000 1.258 321 Y CA -1.276 56.507 58.100 -0.529 0.000 1.132 321 Y CB 0.931 38.789 38.460 -1.003 0.000 1.307 321 Y HN 0.301 nan 8.280 nan 0.000 0.428 322 L N 6.528 127.587 121.223 -0.274 0.000 2.464 322 L HA 0.898 5.238 4.340 -0.000 0.000 0.266 322 L C -2.036 174.851 176.870 0.028 0.000 0.965 322 L CA -1.064 53.729 54.840 -0.078 0.000 0.833 322 L CB 1.790 43.770 42.059 -0.132 0.000 1.296 322 L HN 0.279 nan 8.230 nan 0.000 0.405 323 V N 4.239 124.273 119.914 0.200 0.000 2.715 323 V HA 0.628 4.748 4.120 -0.000 0.000 0.310 323 V C -0.747 175.482 176.094 0.226 0.000 1.054 323 V CA -0.549 61.908 62.300 0.261 0.000 0.928 323 V CB 1.612 33.660 31.823 0.376 0.000 1.007 323 V HN 0.761 nan 8.190 nan 0.000 0.437 324 F N 2.832 122.823 119.950 0.068 0.000 2.576 324 F HA 0.660 5.187 4.527 -0.000 0.000 0.313 324 F C -0.562 175.316 175.800 0.130 0.000 1.078 324 F CA -0.423 57.610 58.000 0.056 0.000 0.921 324 F CB 2.020 41.037 39.000 0.028 0.000 1.232 324 F HN 0.590 nan 8.300 nan 0.000 0.459 325 N N 3.943 122.260 118.700 -0.637 0.000 2.455 325 N HA 0.173 4.913 4.740 -0.000 0.000 0.285 325 N C -0.955 174.202 175.510 -0.588 0.000 1.080 325 N CA -0.485 52.342 53.050 -0.372 0.000 0.932 325 N CB 1.549 40.030 38.487 -0.009 0.000 1.610 325 N HN 0.666 nan 8.380 nan 0.000 0.493 326 D N 1.778 121.985 120.400 -0.323 0.000 2.324 326 D HA -0.016 4.624 4.640 -0.000 0.000 0.212 326 D C 2.142 178.294 176.300 -0.247 0.000 0.984 326 D CA 0.824 54.679 54.000 -0.241 0.000 0.885 326 D CB 0.420 41.210 40.800 -0.017 0.000 0.996 326 D HN 0.431 nan 8.370 nan 0.000 0.505 327 V N 0.106 119.904 119.914 -0.193 0.000 2.277 327 V HA -0.216 3.904 4.120 -0.000 0.000 0.255 327 V C 0.952 176.945 176.094 -0.167 0.000 1.074 327 V CA 1.731 63.908 62.300 -0.204 0.000 1.058 327 V CB -0.542 31.243 31.823 -0.063 0.000 0.656 327 V HN -0.002 nan 8.190 nan 0.000 0.449 328 D N 0.114 120.438 120.400 -0.128 0.000 2.432 328 D HA 0.494 5.134 4.640 -0.000 0.000 0.265 328 D C 0.576 176.818 176.300 -0.098 0.000 1.160 328 D CA 0.959 54.895 54.000 -0.107 0.000 0.911 328 D CB 0.451 41.193 40.800 -0.096 0.000 1.052 328 D HN 0.665 nan 8.370 nan 0.000 0.508 329 G N 2.376 111.119 108.800 -0.096 0.000 2.528 329 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.262 329 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.262 329 G C -0.704 174.147 174.900 -0.081 0.000 1.200 329 G CA -0.069 44.989 45.100 -0.069 0.000 0.951 329 G HN 0.523 nan 8.290 nan 0.000 0.566 330 L N -0.367 120.830 121.223 -0.043 0.000 2.404 330 L HA 0.645 4.985 4.340 -0.000 0.000 0.272 330 L C -0.907 175.975 176.870 0.019 0.000 0.980 330 L CA -0.829 53.971 54.840 -0.067 0.000 0.836 330 L CB 1.984 44.048 42.059 0.007 0.000 1.238 330 L HN 0.718 nan 8.230 nan 0.000 0.408 331 Y N 2.827 122.991 120.300 -0.226 0.000 2.462 331 Y HA 0.748 5.297 4.550 -0.000 0.000 0.346 331 Y C -0.530 175.333 175.900 -0.061 0.000 0.976 331 Y CA -0.741 57.294 58.100 -0.109 0.000 1.044 331 Y CB 2.244 40.648 38.460 -0.093 0.000 1.230 331 Y HN 0.558 nan 8.280 nan 0.000 0.455 332 T N 2.862 117.025 114.554 -0.651 0.000 3.032 332 T HA 0.403 4.753 4.350 -0.000 0.000 0.312 332 T C -2.066 172.308 174.700 -0.543 0.000 1.078 332 T CA -0.661 61.182 62.100 -0.427 0.000 1.028 332 T CB 1.254 70.093 68.868 -0.049 0.000 1.091 332 T HN 0.590 nan 8.240 nan 0.000 0.457 333 Y N 2.112 122.148 120.300 -0.440 0.000 2.331 333 Y HA 0.625 5.175 4.550 -0.000 0.000 0.334 333 Y C -0.699 175.251 175.900 0.085 0.000 0.960 333 Y CA -0.754 57.245 58.100 -0.168 0.000 1.130 333 Y CB 1.827 40.268 38.460 -0.031 0.000 1.164 333 Y HN 0.918 nan 8.280 nan 0.000 0.458 334 T N 8.001 122.298 114.554 -0.430 0.000 2.823 334 T HA 0.681 5.031 4.350 -0.000 0.000 0.279 334 T C -1.269 173.116 174.700 -0.525 0.000 0.998 334 T CA -0.374 61.511 62.100 -0.359 0.000 0.994 334 T CB 0.706 69.462 68.868 -0.187 0.000 0.960 334 T HN 0.515 nan 8.240 nan 0.000 0.448 335 F N -0.448 119.227 119.950 -0.458 0.000 2.693 335 F HA 0.603 5.130 4.527 -0.000 0.000 0.309 335 F C -0.968 174.764 175.800 -0.114 0.000 1.129 335 F CA -1.273 56.519 58.000 -0.346 0.000 0.948 335 F CB 1.512 40.234 39.000 -0.462 0.000 1.315 335 F HN 0.494 nan 8.300 nan 0.000 0.447 336 E N 2.380 122.611 120.200 0.051 0.000 2.014 336 E HA 0.588 4.937 4.350 -0.000 0.000 0.275 336 E C -0.616 176.066 176.600 0.137 0.000 0.997 336 E CA -0.736 55.660 56.400 -0.008 0.000 0.804 336 E CB 0.985 30.709 29.700 0.040 0.000 1.090 336 E HN 0.960 nan 8.360 nan 0.000 0.401 337 A N 5.183 128.003 122.820 0.001 0.000 2.488 337 A HA 0.081 4.401 4.320 -0.000 0.000 0.249 337 A C 0.228 177.880 177.584 0.113 0.000 1.083 337 A CA -0.314 51.842 52.037 0.197 0.000 0.768 337 A CB 0.341 19.392 19.000 0.085 0.000 1.017 337 A HN 0.670 nan 8.150 nan 0.000 0.496 338 E N 1.284 121.557 120.200 0.120 0.000 2.384 338 E HA 0.013 4.363 4.350 -0.000 0.000 0.266 338 E C 0.238 176.873 176.600 0.059 0.000 1.012 338 E CA 0.024 56.469 56.400 0.075 0.000 0.901 338 E CB 0.672 30.410 29.700 0.064 0.000 0.967 338 E HN 0.601 nan 8.360 nan 0.000 0.435 339 R N 3.605 124.135 120.500 0.049 0.000 2.220 339 R HA 0.057 4.397 4.340 -0.000 0.000 0.340 339 R C -0.208 176.116 176.300 0.041 0.000 1.076 339 R CA -0.363 55.763 56.100 0.043 0.000 0.920 339 R CB 0.246 30.570 30.300 0.041 0.000 1.062 339 R HN 0.263 nan 8.270 nan 0.000 0.469 340 K N 3.500 123.923 120.400 0.039 0.000 2.491 340 K HA -0.104 4.216 4.320 -0.000 0.000 0.279 340 K C 0.447 177.069 176.600 0.036 0.000 1.026 340 K CA 0.588 56.897 56.287 0.037 0.000 1.070 340 K CB 0.605 33.126 32.500 0.035 0.000 0.887 340 K HN 0.661 nan 8.250 nan 0.000 0.481 341 E N 1.583 121.803 120.200 0.035 0.000 2.478 341 E HA -0.141 4.209 4.350 -0.000 0.000 0.198 341 E C 0.517 177.137 176.600 0.032 0.000 1.046 341 E CA 0.723 57.142 56.400 0.032 0.000 0.870 341 E CB -0.076 29.641 29.700 0.029 0.000 0.818 341 E HN 0.622 nan 8.360 nan 0.000 0.527 342 N N -0.384 118.339 118.700 0.039 0.000 2.282 342 N HA 0.098 4.838 4.740 -0.000 0.000 0.240 342 N C -0.220 175.317 175.510 0.044 0.000 1.182 342 N CA -0.524 52.553 53.050 0.046 0.000 0.874 342 N CB 0.380 38.904 38.487 0.062 0.000 1.126 342 N HN -0.102 nan 8.380 nan 0.000 0.516 343 C N 2.368 121.690 119.300 0.036 0.000 2.616 343 C HA 0.115 4.574 4.460 -0.000 0.000 0.402 343 C C -0.670 174.336 174.990 0.027 0.000 1.436 343 C CA -1.144 57.892 59.018 0.030 0.000 1.521 343 C CB 0.179 27.937 27.740 0.030 0.000 2.413 343 C HN 0.439 nan 8.230 nan 0.000 0.617 344 P HA -0.128 nan 4.420 nan 0.000 0.218 344 P C 1.143 178.450 177.300 0.011 0.000 1.146 344 P CA 2.253 65.366 63.100 0.021 0.000 0.813 344 P CB 0.164 31.867 31.700 0.006 0.000 0.778 345 A N -0.555 122.269 122.820 0.007 0.000 1.864 345 A HA -0.089 4.231 4.320 -0.000 0.000 0.213 345 A C 2.131 179.722 177.584 0.011 0.000 1.266 345 A CA 1.293 53.329 52.037 -0.001 0.000 0.612 345 A CB -1.291 17.703 19.000 -0.009 0.000 0.940 345 A HN 0.378 nan 8.150 nan 0.000 0.463 346 C N 1.008 120.321 119.300 0.022 0.000 2.613 346 C HA 0.386 4.846 4.460 -0.000 0.000 0.273 346 C C 1.261 176.283 174.990 0.052 0.000 1.304 346 C CA -0.408 58.635 59.018 0.042 0.000 1.702 346 C CB -2.365 25.399 27.740 0.041 0.000 1.792 346 C HN 0.491 nan 8.230 nan 0.000 0.588 347 S N 0.856 116.575 115.700 0.031 0.000 2.466 347 S HA 0.072 4.542 4.470 -0.000 0.000 0.286 347 S C 1.232 175.822 174.600 -0.017 0.000 1.221 347 S CA -0.016 58.193 58.200 0.015 0.000 1.091 347 S CB 0.577 63.785 63.200 0.013 0.000 0.956 347 S HN 0.596 nan 8.310 nan 0.000 0.501 348 Q N 2.602 122.370 119.800 -0.052 0.000 2.103 348 Q HA -0.176 4.164 4.340 -0.000 0.000 0.213 348 Q C 0.543 176.407 176.000 -0.226 0.000 1.008 348 Q CA 1.770 57.434 55.803 -0.231 0.000 0.879 348 Q CB -0.276 28.297 28.738 -0.275 0.000 0.946 348 Q HN 0.848 nan 8.270 nan 0.000 0.413 349 L N -0.447 120.698 121.223 -0.129 0.000 2.421 349 L HA 0.368 4.708 4.340 -0.000 0.000 0.267 349 L C -2.006 174.840 176.870 -0.041 0.000 1.036 349 L CA -2.240 52.545 54.840 -0.092 0.000 0.829 349 L CB 0.474 42.489 42.059 -0.075 0.000 1.437 349 L HN -0.020 nan 8.230 nan 0.000 0.488 350 P HA 0.028 nan 4.420 nan 0.000 0.272 350 P C -1.179 176.133 177.300 0.021 0.000 1.230 350 P CA -0.321 62.781 63.100 0.002 0.000 0.788 350 P CB 0.390 32.092 31.700 0.004 0.000 0.949 351 Q N 2.088 121.915 119.800 0.045 0.000 2.452 351 Q HA 0.104 4.444 4.340 -0.000 0.000 0.230 351 Q C -0.636 175.415 176.000 0.086 0.000 1.180 351 Q CA 0.257 56.106 55.803 0.077 0.000 0.914 351 Q CB -1.177 27.625 28.738 0.106 0.000 1.408 351 Q HN 0.158 nan 8.270 nan 0.000 0.520 352 N N 5.145 123.881 118.700 0.060 0.000 2.663 352 N HA 0.221 4.960 4.740 -0.000 0.000 0.250 352 N C -1.304 174.225 175.510 0.032 0.000 1.129 352 N CA -0.154 52.917 53.050 0.035 0.000 0.995 352 N CB 0.104 38.596 38.487 0.009 0.000 1.324 352 N HN 0.477 nan 8.380 nan 0.000 0.512 353 I N -0.157 120.439 120.570 0.044 0.000 2.627 353 I HA 0.275 4.445 4.170 -0.000 0.000 0.288 353 I C -0.778 175.151 176.117 -0.314 0.000 1.202 353 I CA -0.758 60.509 61.300 -0.056 0.000 1.050 353 I CB 1.280 39.433 38.000 0.254 0.000 1.264 353 I HN 0.268 nan 8.210 nan 0.000 0.429 354 Q N 3.972 123.395 119.800 -0.629 0.000 2.296 354 Q HA 0.503 4.843 4.340 -0.000 0.000 0.257 354 Q C -1.156 174.118 176.000 -1.209 0.000 0.942 354 Q CA -0.371 55.044 55.803 -0.647 0.000 0.939 354 Q CB 1.230 29.751 28.738 -0.361 0.000 1.198 354 Q HN 0.640 nan 8.270 nan 0.000 0.429 355 F N 1.722 121.552 119.950 -0.200 0.000 2.684 355 F HA 0.251 4.778 4.527 -0.000 0.000 0.298 355 F C -0.048 175.669 175.800 -0.139 0.000 1.120 355 F CA -0.246 57.611 58.000 -0.237 0.000 1.332 355 F CB 0.911 39.626 39.000 -0.475 0.000 0.986 355 F HN 0.467 nan 8.300 nan 0.000 0.524 356 S N -2.563 113.056 115.700 -0.136 0.000 2.608 356 S HA 0.312 4.782 4.470 -0.000 0.000 0.285 356 S C -2.569 171.983 174.600 -0.081 0.000 1.108 356 S CA -1.086 57.073 58.200 -0.068 0.000 0.858 356 S CB 1.207 64.398 63.200 -0.015 0.000 1.077 356 S HN -0.186 nan 8.310 nan 0.000 0.450 357 P HA 0.019 nan 4.420 nan 0.000 0.213 357 P C 0.728 178.002 177.300 -0.043 0.000 1.170 357 P CA 2.232 65.299 63.100 -0.054 0.000 0.902 357 P CB 0.057 31.734 31.700 -0.038 0.000 0.789 358 S N -4.517 111.166 115.700 -0.029 0.000 3.895 358 S HA 0.422 4.891 4.470 -0.000 0.000 0.096 358 S C 0.347 174.940 174.600 -0.011 0.000 0.858 358 S CA 0.125 58.313 58.200 -0.020 0.000 0.827 358 S CB -1.322 61.866 63.200 -0.020 0.000 1.078 358 S HN 0.175 nan 8.310 nan 0.000 0.717 359 A N 2.633 125.449 122.820 -0.007 0.000 2.889 359 A HA 0.616 4.936 4.320 -0.000 0.000 0.200 359 A C 0.771 178.355 177.584 -0.000 0.000 1.799 359 A CA 0.531 52.567 52.037 -0.003 0.000 0.670 359 A CB -0.111 18.889 19.000 -0.001 0.000 1.241 359 A HN 0.634 nan 8.150 nan 0.000 0.479 360 K N -1.979 118.422 120.400 0.003 0.000 2.380 360 K HA 0.570 4.890 4.320 -0.000 0.000 0.243 360 K C 0.725 177.329 176.600 0.007 0.000 1.071 360 K CA -0.577 55.710 56.287 0.001 0.000 0.942 360 K CB 0.817 33.314 32.500 -0.004 0.000 1.324 360 K HN 0.317 nan 8.250 nan 0.000 0.517 361 L N 0.892 122.114 121.223 -0.001 0.000 2.046 361 L HA -0.108 4.232 4.340 -0.000 0.000 0.203 361 L C 1.917 178.792 176.870 0.010 0.000 1.111 361 L CA 1.238 56.080 54.840 0.003 0.000 0.769 361 L CB -0.333 41.714 42.059 -0.020 0.000 0.914 361 L HN 0.473 nan 8.230 nan 0.000 0.448 362 Q N 0.678 120.465 119.800 -0.021 0.000 2.305 362 Q HA -0.333 4.007 4.340 -0.000 0.000 0.219 362 Q C 1.587 177.608 176.000 0.036 0.000 1.024 362 Q CA 2.249 58.045 55.803 -0.011 0.000 0.958 362 Q CB -0.772 27.953 28.738 -0.022 0.000 1.005 362 Q HN 0.662 nan 8.270 nan 0.000 0.418 363 E N -0.478 119.748 120.200 0.043 0.000 2.357 363 E HA 0.002 4.352 4.350 -0.000 0.000 0.194 363 E C 1.188 177.853 176.600 0.109 0.000 1.177 363 E CA 0.381 56.822 56.400 0.068 0.000 0.998 363 E CB 0.036 29.766 29.700 0.050 0.000 1.106 363 E HN 0.326 nan 8.360 nan 0.000 0.470 364 V N -3.771 116.221 119.914 0.129 0.000 3.359 364 V HA -0.008 4.112 4.120 -0.000 0.000 0.204 364 V C 1.660 177.867 176.094 0.187 0.000 1.410 364 V CA -0.312 62.104 62.300 0.193 0.000 1.303 364 V CB -0.440 31.478 31.823 0.158 0.000 1.198 364 V HN 0.149 nan 8.190 nan 0.000 0.531 365 L N 1.763 123.066 121.223 0.133 0.000 2.043 365 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 365 L C 2.123 179.050 176.870 0.096 0.000 1.075 365 L CA 2.663 57.578 54.840 0.126 0.000 0.752 365 L CB -0.745 41.394 42.059 0.133 0.000 0.891 365 L HN 0.403 nan 8.230 nan 0.000 0.432 366 D N -1.951 118.504 120.400 0.092 0.000 2.162 366 D HA -0.213 4.427 4.640 -0.000 0.000 0.203 366 D C 1.942 178.283 176.300 0.068 0.000 0.967 366 D CA 1.295 55.336 54.000 0.068 0.000 0.840 366 D CB -0.234 40.604 40.800 0.062 0.000 0.972 366 D HN 0.486 nan 8.370 nan 0.000 0.482 367 Y N 2.012 122.298 120.300 -0.023 0.000 2.181 367 Y HA -0.159 4.391 4.550 -0.000 0.000 0.288 367 Y C 2.087 177.934 175.900 -0.088 0.000 1.146 367 Y CA 1.261 59.308 58.100 -0.087 0.000 1.164 367 Y CB -0.509 37.877 38.460 -0.123 0.000 0.982 367 Y HN -0.116 nan 8.280 nan 0.000 0.515 368 L N -0.958 120.133 121.223 -0.219 0.000 2.109 368 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 368 L C 2.279 179.029 176.870 -0.200 0.000 1.086 368 L CA 1.722 56.383 54.840 -0.297 0.000 0.760 368 L CB -0.857 41.155 42.059 -0.077 0.000 0.910 368 L HN 0.165 nan 8.230 nan 0.000 0.437 369 T N -0.502 113.995 114.554 -0.096 0.000 2.904 369 T HA -0.036 4.314 4.350 -0.000 0.000 0.267 369 T C 1.524 176.182 174.700 -0.070 0.000 1.059 369 T CA 1.060 63.125 62.100 -0.058 0.000 1.137 369 T CB -0.052 68.813 68.868 -0.005 0.000 0.879 369 T HN 0.345 nan 8.240 nan 0.000 0.467 370 N N 0.503 119.153 118.700 -0.084 0.000 2.348 370 N HA 0.095 4.835 4.740 -0.000 0.000 0.183 370 N C 0.673 176.123 175.510 -0.101 0.000 1.094 370 N CA 0.051 53.060 53.050 -0.067 0.000 0.885 370 N CB 0.088 38.559 38.487 -0.027 0.000 1.065 370 N HN 0.161 nan 8.380 nan 0.000 0.472 371 S N 1.312 116.894 115.700 -0.197 0.000 2.571 371 S HA 0.171 4.641 4.470 -0.000 0.000 0.297 371 S C 1.450 175.955 174.600 -0.159 0.000 1.234 371 S CA -0.130 57.933 58.200 -0.229 0.000 1.120 371 S CB 0.288 63.155 63.200 -0.556 0.000 0.923 371 S HN 0.357 nan 8.310 nan 0.000 0.504 372 A N 4.437 127.206 122.820 -0.085 0.000 2.093 372 A HA -0.115 4.205 4.320 -0.000 0.000 0.222 372 A C 2.234 179.789 177.584 -0.048 0.000 1.162 372 A CA 2.025 54.033 52.037 -0.049 0.000 0.655 372 A CB -0.789 18.198 19.000 -0.022 0.000 0.805 372 A HN 1.243 nan 8.150 nan 0.000 0.461 373 S N -1.776 113.880 115.700 -0.074 0.000 2.575 373 S HA 0.357 4.826 4.470 -0.000 0.000 0.215 373 S C 1.258 175.810 174.600 -0.081 0.000 0.966 373 S CA 0.515 58.683 58.200 -0.054 0.000 0.911 373 S CB -0.153 63.025 63.200 -0.036 0.000 0.780 373 S HN 0.464 nan 8.310 nan 0.000 0.514 374 L N -0.643 120.497 121.223 -0.137 0.000 2.641 374 L HA 0.323 4.662 4.340 -0.000 0.000 0.207 374 L C 0.511 177.317 176.870 -0.105 0.000 1.049 374 L CA -0.232 54.518 54.840 -0.150 0.000 0.866 374 L CB -0.770 41.116 42.059 -0.289 0.000 1.264 374 L HN 0.144 nan 8.230 nan 0.000 0.483 375 Q N 1.698 121.431 119.800 -0.111 0.000 2.402 375 Q HA -0.198 4.141 4.340 -0.000 0.000 0.356 375 Q C -0.237 175.730 176.000 -0.054 0.000 1.344 375 Q CA 0.531 56.292 55.803 -0.071 0.000 1.062 375 Q CB -1.271 27.445 28.738 -0.037 0.000 1.268 375 Q HN 0.473 nan 8.270 nan 0.000 0.383 376 M N 0.281 119.841 119.600 -0.066 0.000 2.227 376 M HA 0.310 4.790 4.480 -0.000 0.000 0.316 376 M C 0.290 176.574 176.300 -0.026 0.000 1.144 376 M CA 0.088 55.364 55.300 -0.040 0.000 1.121 376 M CB 1.000 33.575 32.600 -0.042 0.000 1.440 376 M HN 0.075 nan 8.290 nan 0.000 0.473 377 K N 0.405 120.797 120.400 -0.014 0.000 2.270 377 K HA 0.281 4.601 4.320 -0.000 0.000 0.255 377 K C -0.318 176.277 176.600 -0.008 0.000 0.936 377 K CA -0.398 55.883 56.287 -0.010 0.000 0.809 377 K CB 1.303 33.797 32.500 -0.010 0.000 1.131 377 K HN 0.815 nan 8.250 nan 0.000 0.427 378 S N 1.773 117.470 115.700 -0.005 0.000 3.290 378 S HA -0.124 4.346 4.470 -0.000 0.000 0.255 378 S C -2.377 172.200 174.600 -0.039 0.000 0.721 378 S CA -0.104 58.085 58.200 -0.020 0.000 1.365 378 S CB -1.724 61.452 63.200 -0.039 0.000 0.903 378 S HN 0.483 nan 8.310 nan 0.000 0.410 379 P HA 0.682 nan 4.420 nan 0.000 0.302 379 P C -0.256 177.021 177.300 -0.038 0.000 1.301 379 P CA -0.069 63.024 63.100 -0.011 0.000 0.745 379 P CB 0.373 32.083 31.700 0.017 0.000 1.331 380 A N -0.342 122.472 122.820 -0.009 0.000 2.532 380 A HA 0.615 4.934 4.320 -0.000 0.000 0.296 380 A C -1.215 176.390 177.584 0.034 0.000 1.058 380 A CA -0.429 51.600 52.037 -0.014 0.000 0.729 380 A CB 0.472 19.440 19.000 -0.053 0.000 1.285 380 A HN 0.318 nan 8.150 nan 0.000 0.396 381 I N 1.356 121.967 120.570 0.068 0.000 2.412 381 I HA 0.562 4.732 4.170 -0.000 0.000 0.296 381 I C 0.066 176.219 176.117 0.060 0.000 0.987 381 I CA -0.437 60.906 61.300 0.072 0.000 1.180 381 I CB 2.276 40.334 38.000 0.096 0.000 1.340 381 I HN 0.544 nan 8.210 nan 0.000 0.455 382 T N 4.569 119.152 114.554 0.047 0.000 2.824 382 T HA 0.721 5.071 4.350 -0.000 0.000 0.282 382 T C -0.315 174.407 174.700 0.037 0.000 0.993 382 T CA -0.369 61.755 62.100 0.039 0.000 0.967 382 T CB 1.718 70.603 68.868 0.029 0.000 0.960 382 T HN 0.729 nan 8.240 nan 0.000 0.441 383 A N 2.846 125.686 122.820 0.034 0.000 2.347 383 A HA 0.993 5.313 4.320 -0.000 0.000 0.301 383 A C -0.042 177.556 177.584 0.023 0.000 1.163 383 A CA -0.574 51.480 52.037 0.029 0.000 0.860 383 A CB 1.388 20.406 19.000 0.030 0.000 1.367 383 A HN 0.729 nan 8.150 nan 0.000 0.461 390 R N -0.018 120.494 120.500 0.020 0.000 2.828 390 R HA 0.626 4.966 4.340 -0.000 0.000 0.264 390 R C -0.242 176.076 176.300 0.028 0.000 1.022 390 R CA -0.661 55.453 56.100 0.023 0.000 1.021 390 R CB 1.339 31.653 30.300 0.023 0.000 1.163 390 R HN 0.095 nan 8.270 nan 0.000 0.494 391 T N 1.757 116.330 114.554 0.031 0.000 2.795 391 T HA 0.288 4.638 4.350 -0.000 0.000 0.282 391 T C 0.948 175.680 174.700 0.054 0.000 0.980 391 T CA -0.410 61.713 62.100 0.038 0.000 1.012 391 T CB 1.010 69.895 68.868 0.030 0.000 0.936 391 T HN 0.337 nan 8.240 nan 0.000 0.457 392 L N 1.751 123.018 121.223 0.073 0.000 2.157 392 L HA 0.385 4.724 4.340 -0.000 0.000 0.201 392 L C 0.162 177.133 176.870 0.168 0.000 1.221 392 L CA 0.134 55.035 54.840 0.102 0.000 0.915 392 L CB -0.098 42.022 42.059 0.101 0.000 1.013 392 L HN 0.528 nan 8.230 nan 0.000 0.522 393 Y N -1.047 119.265 120.300 0.021 0.000 2.457 393 Y HA 0.409 4.959 4.550 -0.000 0.000 0.333 393 Y C 0.192 176.103 175.900 0.019 0.000 1.119 393 Y CA -0.889 57.223 58.100 0.019 0.000 1.143 393 Y CB 1.687 40.160 38.460 0.021 0.000 1.230 393 Y HN 0.044 nan 8.280 nan 0.000 0.469 394 L N 1.609 122.581 121.223 -0.419 0.000 2.688 394 L HA 0.141 4.481 4.340 -0.000 0.000 0.216 394 L C 0.961 177.544 176.870 -0.478 0.000 1.036 394 L CA 1.042 55.671 54.840 -0.351 0.000 0.906 394 L CB -0.042 41.925 42.059 -0.154 0.000 1.501 394 L HN 0.868 nan 8.230 nan 0.000 0.489 395 Q N -1.249 118.209 119.800 -0.570 0.000 2.281 395 Q HA -0.285 4.055 4.340 -0.000 0.000 0.148 395 Q C 0.841 176.734 176.000 -0.179 0.000 1.069 395 Q CA 1.307 56.886 55.803 -0.375 0.000 1.297 395 Q CB -2.063 26.444 28.738 -0.385 0.000 1.268 395 Q HN 0.514 nan 8.270 nan 0.000 0.952 601 T N -0.568 113.987 114.554 0.001 0.000 2.896 601 T HA 0.311 4.661 4.350 -0.000 0.000 0.263 601 T C 2.213 176.919 174.700 0.010 0.000 1.050 601 T CA 3.449 65.555 62.100 0.009 0.000 1.140 601 T CB -0.594 68.279 68.868 0.008 0.000 0.877 601 T HN 1.973 nan 8.240 nan 0.000 0.457 602 S N 0.974 116.675 115.700 0.002 0.000 2.374 602 S HA 0.169 4.639 4.470 -0.000 0.000 0.227 602 S C 2.441 177.043 174.600 0.003 0.000 1.037 602 S CA 2.770 60.971 58.200 0.002 0.000 1.024 602 S CB -1.201 61.995 63.200 -0.007 0.000 0.861 602 S HN 0.919 nan 8.310 nan 0.000 0.456 603 I N 0.783 121.347 120.570 -0.011 0.000 2.086 603 I HA 0.222 4.392 4.170 -0.000 0.000 0.233 603 I C 2.665 178.809 176.117 0.044 0.000 1.060 603 I CA 2.669 63.956 61.300 -0.023 0.000 1.326 603 I CB -2.095 35.861 38.000 -0.074 0.000 1.067 603 I HN 0.676 nan 8.210 nan 0.000 0.398 604 E N 0.392 120.620 120.200 0.047 0.000 2.330 604 E HA -0.480 3.870 4.350 -0.000 0.000 0.239 604 E C 2.236 178.881 176.600 0.075 0.000 1.097 604 E CA 4.629 61.070 56.400 0.068 0.000 1.031 604 E CB -1.935 27.790 29.700 0.042 0.000 0.885 604 E HN 1.543 nan 8.360 nan 0.000 0.479 605 E N -0.444 119.789 120.200 0.055 0.000 2.065 605 E HA -0.191 4.159 4.350 -0.000 0.000 0.201 605 E C 2.436 179.078 176.600 0.070 0.000 1.016 605 E CA 3.996 60.426 56.400 0.050 0.000 0.818 605 E CB -1.210 28.513 29.700 0.038 0.000 0.749 605 E HN 1.113 nan 8.360 nan 0.000 0.453 606 R N -0.364 120.195 120.500 0.098 0.000 2.223 606 R HA 0.408 4.748 4.340 -0.000 0.000 0.198 606 R C 2.364 178.821 176.300 0.261 0.000 0.984 606 R CA 1.417 57.602 56.100 0.142 0.000 1.018 606 R CB -1.305 29.082 30.300 0.145 0.000 0.945 606 R HN 0.823 nan 8.270 nan 0.000 0.479 607 T N 0.885 115.613 114.554 0.291 0.000 4.578 607 T HA 0.554 4.904 4.350 -0.000 0.000 0.236 607 T C 0.549 175.376 174.700 0.211 0.000 1.038 607 T CA 0.964 63.342 62.100 0.464 0.000 1.067 607 T CB -1.108 67.939 68.868 0.300 0.000 1.390 607 T HN 1.247 nan 8.240 nan 0.000 1.076 701 E N 0.573 120.771 120.200 -0.003 0.000 2.474 701 E HA 0.537 4.886 4.350 -0.000 0.000 0.215 701 E C 2.205 178.805 176.600 0.000 0.000 0.867 701 E CA 1.516 57.915 56.400 -0.002 0.000 1.135 701 E CB -0.272 29.426 29.700 -0.003 0.000 1.147 701 E HN 1.796 nan 8.360 nan 0.000 0.534 702 L N 0.669 121.893 121.223 0.001 0.000 2.027 702 L HA 0.356 4.695 4.340 -0.000 0.000 0.206 702 L C 2.912 179.785 176.870 0.005 0.000 1.074 702 L CA 2.651 57.492 54.840 0.002 0.000 0.745 702 L CB -1.479 40.582 42.059 0.003 0.000 0.898 702 L HN 0.493 nan 8.230 nan 0.000 0.433 703 G N -1.050 107.754 108.800 0.007 0.000 2.430 703 G HA2 0.266 4.226 3.960 -0.000 0.000 0.216 703 G HA3 0.266 4.226 3.960 -0.000 0.000 0.216 703 G C 1.378 176.285 174.900 0.011 0.000 1.146 703 G CA 1.141 46.248 45.100 0.011 0.000 0.793 703 G HN 1.308 nan 8.290 nan 0.000 0.537 704 L N -0.087 121.141 121.223 0.008 0.000 2.798 704 L HA 0.739 5.079 4.340 -0.000 0.000 0.254 704 L C 1.799 178.671 176.870 0.003 0.000 1.176 704 L CA 1.391 56.236 54.840 0.007 0.000 0.991 704 L CB -1.232 40.829 42.059 0.005 0.000 1.225 704 L HN 0.674 nan 8.230 nan 0.000 0.420 705 V N -3.399 116.517 119.914 0.003 0.000 3.093 705 V HA 0.310 4.430 4.120 -0.000 0.000 0.251 705 V C 0.875 176.970 176.094 0.001 0.000 1.719 705 V CA 1.174 63.474 62.300 -0.000 0.000 1.026 705 V CB -0.997 30.825 31.823 -0.001 0.000 0.926 705 V HN 0.590 nan 8.190 nan 0.000 0.396 801 Q N -2.215 117.583 119.800 -0.003 0.000 2.225 801 Q HA 0.798 5.138 4.340 -0.000 0.000 0.230 801 Q C 0.792 176.783 176.000 -0.015 0.000 0.729 801 Q CA 2.345 58.143 55.803 -0.009 0.000 0.918 801 Q CB -0.040 28.694 28.738 -0.007 0.000 1.262 801 Q HN 2.726 nan 8.270 nan 0.000 0.473 901 V N -1.420 118.507 119.914 0.022 0.000 6.054 901 V HA 0.488 4.608 4.120 -0.000 0.000 0.387 901 V C 1.002 177.114 176.094 0.030 0.000 0.886 901 V CA 0.790 63.104 62.300 0.023 0.000 1.354 901 V CB -2.320 29.512 31.823 0.015 0.000 0.429 901 V HN 2.761 nan 8.190 nan 0.000 1.436 902 A N -0.295 122.547 122.820 0.037 0.000 2.639 902 A HA 0.533 4.853 4.320 -0.000 0.000 0.229 902 A C 0.519 178.131 177.584 0.047 0.000 1.062 902 A CA 1.856 53.921 52.037 0.046 0.000 0.761 902 A CB -0.143 18.893 19.000 0.060 0.000 0.988 902 A HN 2.531 nan 8.150 nan 0.000 0.510 903 D N -0.823 119.605 120.400 0.046 0.000 2.855 903 D HA 0.702 5.342 4.640 -0.000 0.000 0.241 903 D C -0.595 175.728 176.300 0.040 0.000 1.277 903 D CA 0.148 54.172 54.000 0.039 0.000 0.918 903 D CB 0.947 41.764 40.800 0.029 0.000 1.462 903 D HN 1.819 nan 8.370 nan 0.000 0.559 904 V N -1.034 118.902 119.914 0.038 0.000 2.975 904 V HA 1.092 5.212 4.120 -0.000 0.000 0.318 904 V C 0.617 176.721 176.094 0.017 0.000 1.077 904 V CA -0.024 62.295 62.300 0.033 0.000 1.000 904 V CB 1.862 33.709 31.823 0.040 0.000 1.066 904 V HN 1.508 nan 8.190 nan 0.000 0.452 905 T N 1.120 115.682 114.554 0.012 0.000 3.548 905 T HA 0.832 5.182 4.350 -0.000 0.000 0.329 905 T C -0.250 174.453 174.700 0.006 0.000 0.960 905 T CA 0.302 62.406 62.100 0.007 0.000 1.041 905 T CB 0.141 69.015 68.868 0.009 0.000 1.065 905 T HN 1.861 nan 8.240 nan 0.000 0.459 906 T N 2.201 116.760 114.554 0.009 0.000 2.875 906 T HA 0.917 5.267 4.350 -0.000 0.000 0.284 906 T C -1.390 173.329 174.700 0.032 0.000 0.995 906 T CA -0.843 61.264 62.100 0.010 0.000 1.060 906 T CB -0.007 68.864 68.868 0.005 0.000 0.967 906 T HN 0.624 nan 8.240 nan 0.000 0.476 907 P HA 0.442 nan 4.420 nan 0.000 0.247 907 P C 0.985 178.326 177.300 0.068 0.000 1.147 907 P CA 1.720 64.838 63.100 0.029 0.000 0.964 907 P CB -1.607 30.092 31.700 -0.000 0.000 0.944 908 Q N 0.214 120.097 119.800 0.138 0.000 2.264 908 Q HA -0.383 3.957 4.340 -0.000 0.000 0.207 908 Q C 1.894 178.081 176.000 0.313 0.000 0.702 908 Q CA 3.592 59.565 55.803 0.282 0.000 1.411 908 Q CB -3.067 25.734 28.738 0.104 0.000 1.717 908 Q HN 1.111 nan 8.270 nan 0.000 0.683 909 T N -1.794 112.848 114.554 0.146 0.000 2.759 909 T HA 0.480 4.830 4.350 -0.000 0.000 0.269 909 T C 1.644 176.395 174.700 0.084 0.000 1.042 909 T CA 3.489 65.649 62.100 0.099 0.000 1.140 909 T CB -0.277 68.613 68.868 0.037 0.000 0.864 909 T HN 2.350 nan 8.240 nan 0.000 0.455 910 V N -0.965 118.968 119.914 0.032 0.000 2.925 910 V HA 0.780 4.900 4.120 -0.000 0.000 0.311 910 V C 1.500 177.436 176.094 -0.263 0.000 1.104 910 V CA -0.227 61.988 62.300 -0.142 0.000 0.954 910 V CB 1.353 33.108 31.823 -0.113 0.000 1.022 910 V HN 0.625 nan 8.190 nan 0.000 0.427 911 L N 2.448 123.281 121.223 -0.649 0.000 2.240 911 L HA 0.605 4.945 4.340 -0.000 0.000 0.211 911 L C 1.551 178.258 176.870 -0.272 0.000 1.106 911 L CA 1.918 56.379 54.840 -0.632 0.000 0.793 911 L CB -1.672 39.687 42.059 -1.166 0.000 0.927 911 L HN 1.906 nan 8.230 nan 0.000 0.446 912 F N 0.091 119.899 119.950 -0.236 0.000 2.378 912 F HA 0.695 5.222 4.527 -0.000 0.000 0.319 912 F C 0.836 176.596 175.800 -0.067 0.000 1.155 912 F CA -0.562 57.363 58.000 -0.125 0.000 1.157 912 F CB -0.236 38.698 39.000 -0.110 0.000 1.252 912 F HN 0.492 nan 8.300 nan 0.000 0.550 913 K N 1.817 122.196 120.400 -0.035 0.000 2.299 913 K HA 0.754 5.073 4.320 -0.000 0.000 0.268 913 K C -0.559 176.037 176.600 -0.007 0.000 1.075 913 K CA 0.119 56.399 56.287 -0.013 0.000 0.936 913 K CB 0.069 32.568 32.500 -0.001 0.000 1.228 913 K HN 2.456 nan 8.250 nan 0.000 0.454 914 L N 1.023 122.243 121.223 -0.004 0.000 2.418 914 L HA 0.642 4.982 4.340 -0.000 0.000 0.274 914 L C 0.644 177.527 176.870 0.020 0.000 1.135 914 L CA 0.132 54.975 54.840 0.005 0.000 0.870 914 L CB -1.053 41.009 42.059 0.005 0.000 1.154 914 L HN 1.248 nan 8.230 nan 0.000 0.462 915 H N 2.158 121.241 119.070 0.022 0.000 2.690 915 H HA 0.744 5.300 4.556 -0.000 0.000 0.280 915 H C -0.266 175.087 175.328 0.041 0.000 1.138 915 H CA -0.231 55.834 56.048 0.029 0.000 1.241 915 H CB 0.127 29.900 29.762 0.018 0.000 1.394 915 H HN 1.995 nan 8.280 nan 0.000 0.489 916 F N 0.972 120.959 119.950 0.062 0.000 2.403 916 F HA 0.990 5.517 4.527 -0.000 0.000 0.326 916 F C 0.751 176.593 175.800 0.070 0.000 1.081 916 F CA -0.465 57.587 58.000 0.086 0.000 1.041 916 F CB 0.923 40.008 39.000 0.141 0.000 1.234 916 F HN 1.163 nan 8.300 nan 0.000 0.503 917 T N 0.000 114.592 114.554 0.063 0.000 3.816 917 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 917 T CA 0.000 62.120 62.100 0.033 0.000 1.349 917 T CB 0.000 68.877 68.868 0.015 0.000 0.612 917 T HN 0.000 nan 8.240 nan 0.000 0.658