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 3ilw_1_B DATA FIRST_RESID 38 DATA SEQUENCE GRALPEVRDG LKPVHRRVLY AMFDSGFRPD RSHAKSARSV AETMGNYHPH DATA SEQUENCE GDASIYDSLV RMAQPWSLRY PLVDGQGNFG SPGNDPPAAM RYTEARLTPL DATA SEQUENCE AMEMLREIDE ETVDFIPNYD GRVQEPTVLP SRFPNLLANG SGGIAVGMAT DATA SEQUENCE NIPPHNLREL ADAVFWALEN HDADEEETLA AVMGRVKGPD FPTAGLIVGS DATA SEQUENCE QGTADAYKTG RGSIRMRGVV EVEEDSRGRT SLVITELPYQ VNHDNFITSI DATA SEQUENCE AEQVRDGKLA GISNIEDQSS DRVGLRIVIE IKRDAVAKVV INNLYKHTQL DATA SEQUENCE QTSFGANMLA IVDGVPRTLR LDQLIRYYVD HQLDVIVRRT TYRLRKANER DATA SEQUENCE AHILRGLVKA LDALDEVIAL IRASETVDIA RAGLIELLDI DEIQAQAILD DATA SEQUENCE MQLRRLAALE RQRIIDDLAK IEAEIADLED ILAKPERQRG IVRDELAEIV DATA SEQUENCE DRHGDDRRTR IIA 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 38 G HA2 0.000 nan 3.960 nan 0.000 0.244 38 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 38 G C 0.000 174.903 174.900 0.004 0.000 0.946 38 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 39 R N 1.715 122.219 120.500 0.007 0.000 2.275 39 R HA 0.466 4.806 4.340 0.001 0.000 0.199 39 R C 1.926 178.239 176.300 0.021 0.000 0.989 39 R CA 1.163 57.271 56.100 0.013 0.000 1.016 39 R CB -0.435 29.868 30.300 0.005 0.000 0.918 39 R HN 0.439 nan 8.270 nan 0.000 0.473 40 A N 1.047 123.876 122.820 0.015 0.000 2.063 40 A HA 0.362 4.682 4.320 0.001 0.000 0.211 40 A C 0.867 178.463 177.584 0.020 0.000 1.177 40 A CA 0.086 52.134 52.037 0.017 0.000 0.759 40 A CB 0.437 19.443 19.000 0.009 0.000 0.857 40 A HN 0.108 nan 8.150 nan 0.000 0.468 41 L N 1.132 122.364 121.223 0.013 0.000 2.365 41 L HA 0.415 4.756 4.340 0.001 0.000 0.273 41 L C -2.686 174.185 176.870 0.002 0.000 1.000 41 L CA -2.354 52.492 54.840 0.009 0.000 0.819 41 L CB 2.477 44.536 42.059 -0.000 0.000 1.284 41 L HN 0.007 nan 8.230 nan 0.000 0.418 42 P HA 0.104 nan 4.420 nan 0.000 0.278 42 P C -0.855 176.423 177.300 -0.037 0.000 1.238 42 P CA -0.446 62.645 63.100 -0.015 0.000 0.794 42 P CB 1.160 32.853 31.700 -0.012 0.000 0.955 43 E N 1.775 121.940 120.200 -0.059 0.000 2.384 43 E HA -0.011 4.340 4.350 0.001 0.000 0.266 43 E C 0.734 177.278 176.600 -0.094 0.000 1.012 43 E CA 0.000 56.344 56.400 -0.093 0.000 0.901 43 E CB 0.479 30.108 29.700 -0.120 0.000 0.967 43 E HN 0.121 nan 8.360 nan 0.000 0.435 44 V N 5.666 125.517 119.914 -0.105 0.000 2.594 44 V HA -0.202 3.918 4.120 0.001 0.000 0.253 44 V C 1.883 177.947 176.094 -0.050 0.000 1.069 44 V CA 2.163 64.425 62.300 -0.064 0.000 1.082 44 V CB -0.275 31.500 31.823 -0.079 0.000 0.680 44 V HN 0.715 nan 8.190 nan 0.000 0.469 45 R N 0.518 120.929 120.500 -0.149 0.000 2.093 45 R HA -0.047 4.294 4.340 0.001 0.000 0.224 45 R C 1.596 177.824 176.300 -0.120 0.000 1.101 45 R CA 1.602 57.566 56.100 -0.227 0.000 0.979 45 R CB -0.169 29.714 30.300 -0.694 0.000 0.877 45 R HN 0.769 nan 8.270 nan 0.000 0.441 46 D N -2.241 118.067 120.400 -0.153 0.000 2.500 46 D HA 0.094 4.734 4.640 0.001 0.000 0.217 46 D C 0.958 177.184 176.300 -0.123 0.000 1.159 46 D CA 0.514 54.447 54.000 -0.112 0.000 0.828 46 D CB 0.580 41.306 40.800 -0.124 0.000 1.039 46 D HN 0.180 nan 8.370 nan 0.000 0.512 47 G N 0.645 109.386 108.800 -0.098 0.000 2.155 47 G HA2 -0.268 3.692 3.960 0.001 0.000 0.257 47 G HA3 -0.268 3.692 3.960 0.001 0.000 0.257 47 G C -0.030 174.825 174.900 -0.075 0.000 0.983 47 G CA 0.719 45.771 45.100 -0.079 0.000 0.676 47 G HN 0.421 nan 8.290 nan 0.000 0.528 48 L N -0.832 120.348 121.223 -0.073 0.000 2.334 48 L HA 0.681 5.022 4.340 0.001 0.000 0.270 48 L C 0.622 177.488 176.870 -0.006 0.000 1.018 48 L CA -1.090 53.724 54.840 -0.043 0.000 0.811 48 L CB 1.545 43.584 42.059 -0.033 0.000 1.271 48 L HN 0.013 nan 8.230 nan 0.000 0.443 49 K N 1.200 121.648 120.400 0.080 0.000 2.211 49 K HA 0.374 4.694 4.320 0.001 0.000 0.237 49 K C -1.876 174.769 176.600 0.075 0.000 1.002 49 K CA -1.553 54.790 56.287 0.093 0.000 0.885 49 K CB 1.258 33.859 32.500 0.167 0.000 1.136 49 K HN 0.153 nan 8.250 nan 0.000 0.448 50 P HA -0.187 nan 4.420 nan 0.000 0.215 50 P C 1.356 178.634 177.300 -0.035 0.000 1.153 50 P CA 0.711 63.805 63.100 -0.010 0.000 0.853 50 P CB 0.231 31.935 31.700 0.006 0.000 0.788 51 V N -0.880 118.971 119.914 -0.105 0.000 2.427 51 V HA -0.273 3.847 4.120 0.001 0.000 0.248 51 V C 1.988 177.943 176.094 -0.231 0.000 1.051 51 V CA 2.123 64.279 62.300 -0.240 0.000 1.048 51 V CB -1.014 30.561 31.823 -0.413 0.000 0.666 51 V HN 0.164 nan 8.190 nan 0.000 0.456 52 H N -0.289 118.757 119.070 -0.040 0.000 2.363 52 H HA -0.054 4.502 4.556 0.001 0.000 0.301 52 H C 2.461 177.778 175.328 -0.018 0.000 1.074 52 H CA 1.922 57.958 56.048 -0.020 0.000 1.354 52 H CB -0.146 29.606 29.762 -0.018 0.000 1.397 52 H HN 0.302 nan 8.280 nan 0.000 0.516 53 R N 1.077 121.620 120.500 0.071 0.000 2.091 53 R HA -0.122 4.218 4.340 0.001 0.000 0.238 53 R C 2.079 178.361 176.300 -0.030 0.000 1.136 53 R CA 1.458 57.552 56.100 -0.009 0.000 0.959 53 R CB 0.046 30.299 30.300 -0.078 0.000 0.856 53 R HN 0.262 nan 8.270 nan 0.000 0.437 54 R N -0.458 120.012 120.500 -0.049 0.000 2.075 54 R HA -0.073 4.268 4.340 0.001 0.000 0.232 54 R C 2.310 178.635 176.300 0.041 0.000 1.126 54 R CA 1.443 57.496 56.100 -0.078 0.000 0.963 54 R CB -0.297 30.008 30.300 0.009 0.000 0.858 54 R HN 0.082 nan 8.270 nan 0.000 0.435 55 V N 1.586 121.540 119.914 0.066 0.000 2.255 55 V HA -0.262 3.859 4.120 0.001 0.000 0.247 55 V C 2.304 178.480 176.094 0.137 0.000 1.051 55 V CA 1.803 64.173 62.300 0.117 0.000 1.018 55 V CB -0.445 31.433 31.823 0.091 0.000 0.641 55 V HN 0.292 nan 8.190 nan 0.000 0.445 56 L N -1.453 119.842 121.223 0.121 0.000 2.046 56 L HA -0.228 4.112 4.340 0.001 0.000 0.208 56 L C 2.502 179.464 176.870 0.154 0.000 1.077 56 L CA 2.036 56.956 54.840 0.133 0.000 0.747 56 L CB -0.703 41.416 42.059 0.100 0.000 0.896 56 L HN 0.404 nan 8.230 nan 0.000 0.432 57 Y N 0.635 120.930 120.300 -0.009 0.000 2.242 57 Y HA -0.192 4.359 4.550 0.001 0.000 0.291 57 Y C 2.476 178.441 175.900 0.108 0.000 1.137 57 Y CA 0.937 59.033 58.100 -0.006 0.000 1.181 57 Y CB -0.290 38.056 38.460 -0.191 0.000 0.989 57 Y HN 0.093 nan 8.280 nan 0.000 0.527 58 A N 0.311 123.182 122.820 0.084 0.000 1.877 58 A HA -0.232 4.088 4.320 0.001 0.000 0.216 58 A C 2.312 179.879 177.584 -0.028 0.000 1.186 58 A CA 2.150 54.266 52.037 0.130 0.000 0.620 58 A CB -0.798 18.376 19.000 0.290 0.000 0.822 58 A HN 0.555 nan 8.150 nan 0.000 0.443 59 M N -2.180 117.451 119.600 0.052 0.000 2.117 59 M HA -0.087 4.394 4.480 0.001 0.000 0.262 59 M C 2.164 178.416 176.300 -0.080 0.000 1.065 59 M CA 1.887 57.213 55.300 0.044 0.000 1.114 59 M CB -0.448 32.296 32.600 0.240 0.000 1.361 59 M HN 0.550 nan 8.290 nan 0.000 0.408 60 F N 1.369 121.228 119.950 -0.152 0.000 2.113 60 F HA -0.242 4.285 4.527 0.001 0.000 0.297 60 F C 2.000 177.642 175.800 -0.262 0.000 1.103 60 F CA 2.100 60.005 58.000 -0.159 0.000 1.248 60 F CB -0.328 38.610 39.000 -0.104 0.000 0.999 60 F HN 0.123 nan 8.300 nan 0.000 0.475 61 D N -0.555 119.687 120.400 -0.263 0.000 2.218 61 D HA -0.139 4.501 4.640 0.001 0.000 0.204 61 D C 1.964 178.052 176.300 -0.353 0.000 0.976 61 D CA 1.335 55.134 54.000 -0.336 0.000 0.853 61 D CB -0.110 40.458 40.800 -0.386 0.000 0.939 61 D HN 0.250 nan 8.370 nan 0.000 0.481 62 S N -1.313 114.101 115.700 -0.477 0.000 2.562 62 S HA 0.232 4.702 4.470 0.001 0.000 0.221 62 S C 1.517 175.721 174.600 -0.660 0.000 0.975 62 S CA 0.630 58.417 58.200 -0.689 0.000 0.918 62 S CB 0.394 62.799 63.200 -1.325 0.000 0.772 62 S HN 0.524 nan 8.310 nan 0.000 0.531 63 G N 1.369 109.873 108.800 -0.494 0.000 2.136 63 G HA2 -0.225 3.735 3.960 0.001 0.000 0.242 63 G HA3 -0.225 3.735 3.960 0.001 0.000 0.242 63 G C -0.065 174.830 174.900 -0.007 0.000 0.989 63 G CA -0.391 44.549 45.100 -0.266 0.000 0.682 63 G HN 0.422 nan 8.290 nan 0.000 0.522 64 F N 2.250 122.158 119.950 -0.071 0.000 2.659 64 F HA 0.413 4.940 4.527 0.001 0.000 0.360 64 F C 1.430 177.210 175.800 -0.034 0.000 1.218 64 F CA -0.848 57.134 58.000 -0.031 0.000 1.317 64 F CB -0.528 38.480 39.000 0.014 0.000 1.697 64 F HN 0.151 nan 8.300 nan 0.000 0.637 65 R N 1.190 121.756 120.500 0.110 0.000 2.553 65 R HA 0.302 4.643 4.340 0.001 0.000 0.263 65 R C -1.405 174.901 176.300 0.009 0.000 1.066 65 R CA -1.596 54.532 56.100 0.048 0.000 1.135 65 R CB -0.018 30.285 30.300 0.005 0.000 1.148 65 R HN -0.048 nan 8.270 nan 0.000 0.558 66 P HA -0.133 nan 4.420 nan 0.000 0.222 66 P C 0.041 177.318 177.300 -0.038 0.000 1.147 66 P CA 1.222 64.303 63.100 -0.032 0.000 0.790 66 P CB 0.126 31.828 31.700 0.004 0.000 0.780 67 D N -1.833 118.559 120.400 -0.012 0.000 2.340 67 D HA 0.028 4.669 4.640 0.001 0.000 0.217 67 D C 0.476 176.770 176.300 -0.010 0.000 1.081 67 D CA 0.084 54.081 54.000 -0.006 0.000 0.842 67 D CB 0.048 40.853 40.800 0.009 0.000 0.934 67 D HN 0.123 nan 8.370 nan 0.000 0.511 68 R N -0.180 120.307 120.500 -0.022 0.000 2.854 68 R HA 0.500 4.841 4.340 0.001 0.000 0.271 68 R C -0.274 175.998 176.300 -0.047 0.000 0.994 68 R CA -0.835 55.258 56.100 -0.012 0.000 0.945 68 R CB 1.651 31.962 30.300 0.018 0.000 1.194 68 R HN -0.125 nan 8.270 nan 0.000 0.476 69 S N 1.140 116.831 115.700 -0.016 0.000 2.563 69 S HA -0.019 4.452 4.470 0.001 0.000 0.284 69 S C -0.128 174.448 174.600 -0.041 0.000 1.331 69 S CA -0.114 58.086 58.200 0.000 0.000 1.047 69 S CB -0.029 63.194 63.200 0.037 0.000 0.859 69 S HN 0.386 nan 8.310 nan 0.000 0.514 70 H N 0.591 119.640 119.070 -0.034 0.000 2.948 70 H HA 0.372 4.928 4.556 0.001 0.000 0.351 70 H C 0.545 175.779 175.328 -0.157 0.000 1.079 70 H CA 0.912 56.915 56.048 -0.074 0.000 1.407 70 H CB 0.268 30.013 29.762 -0.028 0.000 1.373 70 H HN 0.745 nan 8.280 nan 0.000 0.605 71 A N 2.911 125.607 122.820 -0.206 0.000 2.325 71 A HA 0.356 4.677 4.320 0.001 0.000 0.333 71 A C -0.241 177.215 177.584 -0.214 0.000 1.155 71 A CA -1.059 50.730 52.037 -0.412 0.000 0.814 71 A CB 0.709 18.930 19.000 -1.298 0.000 1.206 71 A HN 0.557 nan 8.150 nan 0.000 0.482 72 K N 1.196 121.517 120.400 -0.131 0.000 2.527 72 K HA 0.022 4.342 4.320 0.001 0.000 0.278 72 K C 1.196 177.772 176.600 -0.040 0.000 0.981 72 K CA 0.341 56.594 56.287 -0.056 0.000 1.009 72 K CB 0.558 33.025 32.500 -0.054 0.000 0.895 72 K HN 0.718 nan 8.250 nan 0.000 0.493 73 S N 2.040 117.758 115.700 0.030 0.000 2.399 73 S HA -0.193 4.277 4.470 0.001 0.000 0.231 73 S C 1.879 176.499 174.600 0.034 0.000 1.022 73 S CA 1.308 59.570 58.200 0.103 0.000 0.983 73 S CB -0.086 63.243 63.200 0.215 0.000 0.803 73 S HN 0.737 nan 8.310 nan 0.000 0.480 74 A N 1.990 124.771 122.820 -0.065 0.000 1.986 74 A HA -0.197 4.124 4.320 0.001 0.000 0.220 74 A C 2.154 179.752 177.584 0.024 0.000 1.171 74 A CA 1.471 53.465 52.037 -0.071 0.000 0.640 74 A CB -0.477 18.459 19.000 -0.108 0.000 0.811 74 A HN 0.436 nan 8.150 nan 0.000 0.451 75 R N -0.694 119.844 120.500 0.063 0.000 2.092 75 R HA -0.047 4.294 4.340 0.001 0.000 0.231 75 R C 2.427 178.893 176.300 0.276 0.000 1.119 75 R CA 1.509 57.709 56.100 0.167 0.000 0.970 75 R CB -0.310 30.114 30.300 0.207 0.000 0.864 75 R HN 0.515 nan 8.270 nan 0.000 0.440 76 S N 0.213 116.098 115.700 0.308 0.000 2.395 76 S HA -0.046 4.424 4.470 0.001 0.000 0.225 76 S C 2.070 176.809 174.600 0.232 0.000 1.027 76 S CA 0.737 59.146 58.200 0.348 0.000 0.965 76 S CB 0.069 63.486 63.200 0.361 0.000 0.812 76 S HN 0.051 nan 8.310 nan 0.000 0.482 77 V N 2.173 122.196 119.914 0.180 0.000 2.295 77 V HA -0.187 3.933 4.120 0.001 0.000 0.246 77 V C 2.678 178.845 176.094 0.123 0.000 1.049 77 V CA 1.749 64.136 62.300 0.144 0.000 1.024 77 V CB -1.204 30.671 31.823 0.086 0.000 0.648 77 V HN 0.525 nan 8.190 nan 0.000 0.447 78 A N 0.076 122.954 122.820 0.097 0.000 1.908 78 A HA -0.283 4.037 4.320 0.001 0.000 0.218 78 A C 2.202 179.840 177.584 0.091 0.000 1.181 78 A CA 2.199 54.282 52.037 0.078 0.000 0.627 78 A CB -0.548 18.487 19.000 0.059 0.000 0.818 78 A HN 0.585 nan 8.150 nan 0.000 0.445 79 E N -0.313 119.958 120.200 0.118 0.000 2.077 79 E HA -0.121 4.229 4.350 0.001 0.000 0.193 79 E C 1.964 178.644 176.600 0.134 0.000 0.989 79 E CA 2.054 58.515 56.400 0.102 0.000 0.800 79 E CB -0.543 29.221 29.700 0.107 0.000 0.746 79 E HN 0.515 nan 8.360 nan 0.000 0.452 80 T N 0.465 115.146 114.554 0.212 0.000 2.777 80 T HA -0.126 4.225 4.350 0.001 0.000 0.266 80 T C 1.829 176.669 174.700 0.234 0.000 1.040 80 T CA 1.414 63.704 62.100 0.317 0.000 1.141 80 T CB -0.278 68.751 68.868 0.268 0.000 0.868 80 T HN 0.232 nan 8.240 nan 0.000 0.444 81 M N 0.939 120.636 119.600 0.161 0.000 2.132 81 M HA -0.014 4.466 4.480 0.001 0.000 0.263 81 M C 2.409 178.736 176.300 0.046 0.000 1.065 81 M CA 1.756 57.126 55.300 0.118 0.000 1.122 81 M CB -0.380 32.274 32.600 0.091 0.000 1.365 81 M HN 0.350 nan 8.290 nan 0.000 0.411 82 G N -0.048 108.779 108.800 0.046 0.000 2.422 82 G HA2 -0.173 3.787 3.960 0.001 0.000 0.218 82 G HA3 -0.173 3.787 3.960 0.001 0.000 0.218 82 G C 1.264 176.216 174.900 0.088 0.000 1.140 82 G CA 0.801 45.931 45.100 0.050 0.000 0.775 82 G HN 0.476 nan 8.290 nan 0.000 0.545 83 N N -1.381 117.262 118.700 -0.095 0.000 2.407 83 N HA 0.113 4.854 4.740 0.001 0.000 0.182 83 N C 0.858 176.168 175.510 -0.334 0.000 1.079 83 N CA 0.503 53.319 53.050 -0.391 0.000 0.882 83 N CB 0.538 38.409 38.487 -1.026 0.000 1.106 83 N HN 0.411 nan 8.380 nan 0.000 0.461 84 Y N -1.331 119.173 120.300 0.340 0.000 2.550 84 Y HA 0.256 4.807 4.550 0.001 0.000 0.275 84 Y C 0.224 176.244 175.900 0.200 0.000 1.148 84 Y CA -0.215 58.064 58.100 0.298 0.000 1.200 84 Y CB 0.422 39.022 38.460 0.232 0.000 1.299 84 Y HN -0.031 nan 8.280 nan 0.000 0.509 85 H N 2.532 121.673 119.070 0.117 0.000 2.607 85 H HA 0.363 4.920 4.556 0.001 0.000 0.248 85 H C -2.817 172.486 175.328 -0.041 0.000 1.355 85 H CA -2.336 53.750 56.048 0.062 0.000 1.524 85 H CB 1.403 31.238 29.762 0.121 0.000 1.563 85 H HN -0.180 nan 8.280 nan 0.000 0.509 86 P HA 0.142 nan 4.420 nan 0.000 0.214 86 P C -0.940 176.031 177.300 -0.548 0.000 1.807 86 P CA -0.116 62.655 63.100 -0.548 0.000 0.921 86 P CB -0.312 30.806 31.700 -0.969 0.000 1.835 87 H N -1.001 117.905 119.070 -0.273 0.000 2.690 87 H HA 0.532 5.089 4.556 0.001 0.000 0.368 87 H C 1.174 176.490 175.328 -0.021 0.000 1.150 87 H CA -0.513 55.429 56.048 -0.177 0.000 1.174 87 H CB 1.400 31.004 29.762 -0.262 0.000 1.684 87 H HN -0.001 nan 8.280 nan 0.000 0.538 88 G N 1.321 110.180 108.800 0.099 0.000 3.782 88 G HA2 0.095 4.056 3.960 0.001 0.000 0.288 88 G HA3 0.095 4.056 3.960 0.001 0.000 0.288 88 G C -0.428 174.532 174.900 0.100 0.000 1.300 88 G CA -0.414 44.735 45.100 0.082 0.000 1.261 88 G HN 0.725 nan 8.290 nan 0.000 0.591 89 D N -1.308 119.183 120.400 0.152 0.000 2.388 89 D HA 0.520 5.160 4.640 0.001 0.000 0.254 89 D C 1.459 177.823 176.300 0.107 0.000 1.111 89 D CA -0.193 53.878 54.000 0.118 0.000 0.993 89 D CB 1.401 42.269 40.800 0.113 0.000 1.118 89 D HN -0.097 nan 8.370 nan 0.000 0.502 90 A N 0.169 123.035 122.820 0.077 0.000 2.168 90 A HA -0.047 4.273 4.320 0.001 0.000 0.215 90 A C 2.006 179.624 177.584 0.057 0.000 1.152 90 A CA 1.179 53.264 52.037 0.079 0.000 0.716 90 A CB -1.118 17.921 19.000 0.064 0.000 0.794 90 A HN 0.601 nan 8.150 nan 0.000 0.465 91 S N 0.285 115.993 115.700 0.014 0.000 2.399 91 S HA -0.133 4.338 4.470 0.001 0.000 0.231 91 S C 1.806 176.335 174.600 -0.118 0.000 1.022 91 S CA 1.300 59.457 58.200 -0.072 0.000 0.983 91 S CB -0.704 62.419 63.200 -0.128 0.000 0.803 91 S HN 0.516 nan 8.310 nan 0.000 0.480 92 I N -0.104 120.420 120.570 -0.076 0.000 2.133 92 I HA -0.129 4.042 4.170 0.001 0.000 0.238 92 I C 2.608 178.771 176.117 0.076 0.000 1.074 92 I CA 1.869 63.141 61.300 -0.046 0.000 1.342 92 I CB -0.547 37.479 38.000 0.043 0.000 1.053 92 I HN 0.282 nan 8.210 nan 0.000 0.404 93 Y N 2.007 122.303 120.300 -0.007 0.000 2.263 93 Y HA -0.229 4.322 4.550 0.001 0.000 0.292 93 Y C 2.131 178.042 175.900 0.019 0.000 1.130 93 Y CA 1.286 59.395 58.100 0.015 0.000 1.179 93 Y CB -0.503 37.959 38.460 0.004 0.000 0.998 93 Y HN 0.206 nan 8.280 nan 0.000 0.532 94 D N -0.717 119.659 120.400 -0.039 0.000 2.149 94 D HA -0.174 4.466 4.640 0.001 0.000 0.198 94 D C 2.319 178.568 176.300 -0.084 0.000 0.990 94 D CA 1.739 55.673 54.000 -0.110 0.000 0.839 94 D CB -0.247 40.532 40.800 -0.036 0.000 0.948 94 D HN 0.307 nan 8.370 nan 0.000 0.460 95 S N 0.252 115.912 115.700 -0.068 0.000 2.368 95 S HA -0.067 4.403 4.470 0.001 0.000 0.224 95 S C 1.999 176.632 174.600 0.054 0.000 1.029 95 S CA 0.234 58.417 58.200 -0.028 0.000 0.988 95 S CB -0.206 62.840 63.200 -0.256 0.000 0.838 95 S HN 0.272 nan 8.310 nan 0.000 0.462 96 L N 1.596 122.839 121.223 0.033 0.000 2.017 96 L HA -0.112 4.229 4.340 0.001 0.000 0.208 96 L C 2.163 179.086 176.870 0.089 0.000 1.073 96 L CA 1.329 56.229 54.840 0.100 0.000 0.745 96 L CB -0.358 41.812 42.059 0.184 0.000 0.894 96 L HN 0.134 nan 8.230 nan 0.000 0.432 97 V N 0.222 120.104 119.914 -0.053 0.000 2.295 97 V HA -0.313 3.808 4.120 0.001 0.000 0.246 97 V C 2.755 178.878 176.094 0.047 0.000 1.049 97 V CA 2.273 64.601 62.300 0.047 0.000 1.024 97 V CB -0.773 30.879 31.823 -0.286 0.000 0.648 97 V HN 0.531 nan 8.190 nan 0.000 0.447 98 R N -0.382 120.111 120.500 -0.011 0.000 2.096 98 R HA -0.141 4.200 4.340 0.001 0.000 0.235 98 R C 2.174 178.428 176.300 -0.077 0.000 1.127 98 R CA 1.750 57.825 56.100 -0.042 0.000 0.968 98 R CB -0.217 30.094 30.300 0.018 0.000 0.861 98 R HN 0.428 nan 8.270 nan 0.000 0.440 99 M N -0.393 119.201 119.600 -0.010 0.000 2.557 99 M HA -0.015 4.466 4.480 0.001 0.000 0.259 99 M C 1.751 177.998 176.300 -0.088 0.000 1.086 99 M CA 0.975 56.262 55.300 -0.021 0.000 1.096 99 M CB 0.289 32.923 32.600 0.057 0.000 1.424 99 M HN 0.237 nan 8.290 nan 0.000 0.488 100 A N -0.503 122.231 122.820 -0.143 0.000 2.267 100 A HA 0.109 4.429 4.320 0.001 0.000 0.213 100 A C 0.629 177.979 177.584 -0.389 0.000 1.192 100 A CA -0.046 51.820 52.037 -0.284 0.000 0.851 100 A CB 0.074 18.758 19.000 -0.526 0.000 0.881 100 A HN 0.409 nan 8.150 nan 0.000 0.494 101 Q N 0.273 119.787 119.800 -0.476 0.000 2.331 101 Q HA 0.250 4.590 4.340 0.001 0.000 0.257 101 Q C -1.990 173.523 176.000 -0.811 0.000 0.957 101 Q CA -2.137 53.081 55.803 -0.975 0.000 0.923 101 Q CB 1.446 29.339 28.738 -1.409 0.000 1.212 101 Q HN 0.144 nan 8.270 nan 0.000 0.443 102 P HA -0.107 nan 4.420 nan 0.000 0.233 102 P C 0.227 177.487 177.300 -0.068 0.000 1.167 102 P CA 0.676 63.646 63.100 -0.217 0.000 0.770 102 P CB 0.005 31.679 31.700 -0.043 0.000 0.837 103 W N -1.537 119.771 121.300 0.013 0.000 2.770 103 W HA 0.255 4.915 4.660 0.000 0.000 0.256 103 W C 1.474 178.052 176.519 0.098 0.000 1.291 103 W CA 0.371 57.740 57.345 0.039 0.000 1.396 103 W CB -1.466 27.987 29.460 -0.012 0.000 1.114 103 W HN -0.254 nan 8.180 nan 0.000 0.637 104 S N 0.592 116.100 115.700 -0.320 0.000 2.412 104 S HA 0.139 4.610 4.470 0.001 0.000 0.223 104 S C 0.336 174.963 174.600 0.045 0.000 1.048 104 S CA 0.165 58.297 58.200 -0.114 0.000 0.954 104 S CB -0.178 62.845 63.200 -0.294 0.000 0.840 104 S HN -0.054 nan 8.310 nan 0.000 0.503 105 L N 1.725 122.902 121.223 -0.076 0.000 2.307 105 L HA 0.506 4.846 4.340 0.001 0.000 0.284 105 L C 0.956 177.770 176.870 -0.094 0.000 1.023 105 L CA -0.332 54.490 54.840 -0.031 0.000 0.810 105 L CB 1.503 43.533 42.059 -0.050 0.000 1.231 105 L HN -0.104 nan 8.230 nan 0.000 0.423 106 R N 2.628 123.050 120.500 -0.130 0.000 2.127 106 R HA -0.100 4.241 4.340 0.001 0.000 0.238 106 R C -0.484 175.383 176.300 -0.722 0.000 1.134 106 R CA 1.665 57.537 56.100 -0.380 0.000 0.975 106 R CB -0.124 29.961 30.300 -0.358 0.000 0.865 106 R HN 0.515 nan 8.270 nan 0.000 0.447 107 Y N -0.088 120.193 120.300 -0.032 0.000 2.681 107 Y HA 0.409 4.959 4.550 0.000 0.000 0.347 107 Y C -2.221 173.652 175.900 -0.046 0.000 1.029 107 Y CA -3.422 54.639 58.100 -0.064 0.000 1.279 107 Y CB 1.294 39.688 38.460 -0.110 0.000 1.096 107 Y HN -0.004 nan 8.280 nan 0.000 0.580 108 P HA 0.042 nan 4.420 nan 0.000 0.265 108 P C 0.530 177.841 177.300 0.019 0.000 1.187 108 P CA 0.485 63.569 63.100 -0.027 0.000 0.766 108 P CB 0.982 32.629 31.700 -0.089 0.000 0.820 109 L N 1.479 122.718 121.223 0.027 0.000 2.590 109 L HA 0.174 4.515 4.340 0.001 0.000 0.227 109 L C 0.363 177.257 176.870 0.039 0.000 1.099 109 L CA 0.166 55.042 54.840 0.060 0.000 0.872 109 L CB 0.294 42.408 42.059 0.091 0.000 1.088 109 L HN 0.140 nan 8.230 nan 0.000 0.479 110 V N -0.229 119.684 119.914 -0.002 0.000 2.680 110 V HA 0.286 4.407 4.120 0.001 0.000 0.309 110 V C -1.004 175.043 176.094 -0.079 0.000 1.052 110 V CA -0.699 61.595 62.300 -0.010 0.000 0.908 110 V CB 2.508 34.335 31.823 0.007 0.000 1.001 110 V HN -0.042 nan 8.190 nan 0.000 0.431 111 D N 3.155 123.527 120.400 -0.048 0.000 2.454 111 D HA 0.470 5.110 4.640 0.001 0.000 0.225 111 D C 0.231 176.514 176.300 -0.028 0.000 1.081 111 D CA -0.019 53.957 54.000 -0.040 0.000 0.864 111 D CB 1.349 42.155 40.800 0.010 0.000 1.040 111 D HN 0.674 nan 8.370 nan 0.000 0.517 112 G N 2.490 111.077 108.800 -0.356 0.000 2.425 112 G HA2 0.455 4.415 3.960 0.001 0.000 0.302 112 G HA3 0.455 4.415 3.960 0.001 0.000 0.302 112 G C -0.769 173.920 174.900 -0.352 0.000 1.159 112 G CA -0.572 44.103 45.100 -0.708 0.000 0.865 112 G HN 0.486 nan 8.290 nan 0.000 0.515 113 Q N 0.481 120.200 119.800 -0.135 0.000 2.321 113 Q HA 0.563 4.903 4.340 0.001 0.000 0.270 113 Q C 0.128 176.251 176.000 0.204 0.000 1.032 113 Q CA 0.131 55.851 55.803 -0.139 0.000 0.784 113 Q CB 1.648 30.033 28.738 -0.589 0.000 1.264 113 Q HN 1.428 nan 8.270 nan 0.000 0.448 114 G N 2.901 111.821 108.800 0.199 0.000 2.396 114 G HA2 -0.218 3.743 3.960 0.001 0.000 0.254 114 G HA3 -0.218 3.743 3.960 0.001 0.000 0.254 114 G C -1.244 173.841 174.900 0.308 0.000 1.248 114 G CA -0.582 44.649 45.100 0.219 0.000 1.033 114 G HN 0.653 nan 8.290 nan 0.000 0.502 115 N N 0.467 119.270 118.700 0.172 0.000 2.482 115 N HA 0.506 5.247 4.740 0.001 0.000 0.242 115 N C -0.060 175.499 175.510 0.082 0.000 1.100 115 N CA -0.605 52.534 53.050 0.148 0.000 0.946 115 N CB -0.279 38.248 38.487 0.067 0.000 1.227 115 N HN 0.363 nan 8.380 nan 0.000 0.508 116 F N 2.275 122.300 119.950 0.124 0.000 2.730 116 F HA 0.371 4.899 4.527 0.001 0.000 0.295 116 F C 1.677 177.602 175.800 0.209 0.000 1.143 116 F CA 0.420 58.491 58.000 0.119 0.000 1.367 116 F CB -0.155 38.884 39.000 0.065 0.000 0.970 116 F HN 0.649 nan 8.300 nan 0.000 0.514 117 G N 0.712 109.678 108.800 0.276 0.000 2.632 117 G HA2 0.029 3.989 3.960 0.001 0.000 0.224 117 G HA3 0.029 3.989 3.960 0.001 0.000 0.224 117 G C -0.316 174.727 174.900 0.239 0.000 1.341 117 G CA -0.424 44.822 45.100 0.243 0.000 0.880 117 G HN 0.864 nan 8.290 nan 0.000 0.566 118 S N -1.806 113.885 115.700 -0.016 0.000 2.643 118 S HA 0.786 5.257 4.470 0.001 0.000 0.270 118 S C -2.686 171.268 174.600 -1.077 0.000 1.166 118 S CA -0.075 57.708 58.200 -0.695 0.000 0.815 118 S CB 1.994 64.949 63.200 -0.409 0.000 1.139 118 S HN 0.606 nan 8.310 nan 0.000 0.472 119 P HA 0.226 nan 4.420 nan 0.000 0.242 119 P C 0.773 177.630 177.300 -0.737 0.000 1.197 119 P CA 0.875 63.121 63.100 -1.423 0.000 0.765 119 P CB -0.410 30.279 31.700 -1.686 0.000 0.936 120 G N -0.094 108.413 108.800 -0.488 0.000 2.940 120 G HA2 0.102 4.063 3.960 0.001 0.000 0.164 120 G HA3 0.102 4.063 3.960 0.001 0.000 0.164 120 G C 0.218 175.050 174.900 -0.113 0.000 1.326 120 G CA -0.465 44.519 45.100 -0.194 0.000 1.020 120 G HN -0.016 nan 8.290 nan 0.000 0.586 121 N N 0.622 119.289 118.700 -0.054 0.000 2.313 121 N HA 0.120 4.860 4.740 0.001 0.000 0.207 121 N C -0.804 174.696 175.510 -0.017 0.000 1.141 121 N CA -0.175 52.861 53.050 -0.024 0.000 0.830 121 N CB 0.437 38.919 38.487 -0.008 0.000 1.008 121 N HN 0.283 nan 8.380 nan 0.000 0.481 122 D N 2.940 123.321 120.400 -0.032 0.000 2.358 122 D HA 0.065 4.705 4.640 0.001 0.000 0.258 122 D C -2.148 174.162 176.300 0.017 0.000 1.223 122 D CA -0.823 53.171 54.000 -0.011 0.000 0.886 122 D CB 1.011 41.797 40.800 -0.023 0.000 1.120 122 D HN 0.173 nan 8.370 nan 0.000 0.482 123 P HA 0.237 nan 4.420 nan 0.000 0.279 123 P C -2.581 174.745 177.300 0.042 0.000 1.239 123 P CA -1.425 61.696 63.100 0.036 0.000 0.789 123 P CB 0.101 31.820 31.700 0.032 0.000 0.933 124 P HA 0.095 nan 4.420 nan 0.000 0.269 124 P C -0.089 177.230 177.300 0.033 0.000 1.215 124 P CA 0.155 63.260 63.100 0.009 0.000 0.780 124 P CB 0.264 31.925 31.700 -0.064 0.000 0.898 125 A N 2.127 124.957 122.820 0.017 0.000 2.346 125 A HA 0.539 4.859 4.320 0.001 0.000 0.252 125 A C 0.468 178.139 177.584 0.145 0.000 1.089 125 A CA 0.037 52.125 52.037 0.085 0.000 0.797 125 A CB -0.364 18.689 19.000 0.089 0.000 1.047 125 A HN 0.600 nan 8.150 nan 0.000 0.494 126 A N 0.717 123.639 122.820 0.170 0.000 2.346 126 A HA 0.421 4.741 4.320 0.001 0.000 0.252 126 A C 1.370 178.832 177.584 -0.204 0.000 1.089 126 A CA 0.275 52.320 52.037 0.013 0.000 0.797 126 A CB -0.186 18.807 19.000 -0.012 0.000 1.047 126 A HN 1.371 nan 8.150 nan 0.000 0.494 127 M N 0.725 119.955 119.600 -0.616 0.000 2.358 127 M HA -0.125 4.356 4.480 0.001 0.000 0.264 127 M C 1.646 177.713 176.300 -0.389 0.000 1.064 127 M CA 2.118 56.962 55.300 -0.760 0.000 1.093 127 M CB -0.491 31.474 32.600 -1.059 0.000 1.401 127 M HN 0.787 nan 8.290 nan 0.000 0.440 128 R N -0.547 119.692 120.500 -0.434 0.000 2.276 128 R HA -0.050 4.290 4.340 0.001 0.000 0.203 128 R C 0.286 176.315 176.300 -0.450 0.000 1.017 128 R CA 0.839 56.671 56.100 -0.447 0.000 1.010 128 R CB -0.489 29.474 30.300 -0.563 0.000 0.900 128 R HN 0.423 nan 8.270 nan 0.000 0.469 129 Y N 1.569 121.825 120.300 -0.073 0.000 2.458 129 Y HA 0.193 4.743 4.550 0.001 0.000 0.256 129 Y C 0.722 176.608 175.900 -0.024 0.000 1.159 129 Y CA -0.152 57.924 58.100 -0.040 0.000 1.261 129 Y CB 0.583 39.021 38.460 -0.036 0.000 1.119 129 Y HN 0.121 nan 8.280 nan 0.000 0.524 130 T N -2.470 112.131 114.554 0.077 0.000 2.930 130 T HA 0.754 5.104 4.350 0.001 0.000 0.290 130 T C -0.493 174.292 174.700 0.143 0.000 1.052 130 T CA -0.901 61.261 62.100 0.104 0.000 1.017 130 T CB 2.907 71.733 68.868 -0.070 0.000 1.137 130 T HN 0.058 nan 8.240 nan 0.000 0.511 131 E N -0.448 119.889 120.200 0.230 0.000 2.369 131 E HA 0.728 5.079 4.350 0.001 0.000 0.270 131 E C -1.217 175.556 176.600 0.289 0.000 0.909 131 E CA -1.540 54.966 56.400 0.176 0.000 0.775 131 E CB 2.418 32.163 29.700 0.075 0.000 1.270 131 E HN 1.013 nan 8.360 nan 0.000 0.445 132 A N 1.568 124.536 122.820 0.247 0.000 2.594 132 A HA 0.718 5.039 4.320 0.001 0.000 0.296 132 A C -1.254 176.413 177.584 0.137 0.000 1.061 132 A CA -0.858 51.339 52.037 0.267 0.000 0.689 132 A CB 1.479 20.650 19.000 0.285 0.000 1.280 132 A HN 0.693 nan 8.150 nan 0.000 0.406 133 R N 1.035 121.596 120.500 0.103 0.000 2.795 133 R HA 0.792 5.133 4.340 0.001 0.000 0.268 133 R C -1.426 174.916 176.300 0.070 0.000 1.041 133 R CA -0.948 55.183 56.100 0.052 0.000 0.927 133 R CB 0.683 30.917 30.300 -0.110 0.000 1.235 133 R HN 0.496 nan 8.270 nan 0.000 0.463 134 L N 1.418 122.702 121.223 0.102 0.000 2.452 134 L HA 0.250 4.590 4.340 0.001 0.000 0.267 134 L C 0.868 177.760 176.870 0.037 0.000 1.188 134 L CA -0.280 54.616 54.840 0.093 0.000 0.821 134 L CB 1.049 43.193 42.059 0.141 0.000 1.102 134 L HN 0.850 nan 8.230 nan 0.000 0.470 135 T N -1.468 113.102 114.554 0.027 0.000 2.847 135 T HA 0.264 4.614 4.350 0.001 0.000 0.279 135 T C -1.968 172.720 174.700 -0.020 0.000 0.984 135 T CA -1.726 60.369 62.100 -0.007 0.000 0.988 135 T CB 1.242 70.095 68.868 -0.024 0.000 1.040 135 T HN 0.329 nan 8.240 nan 0.000 0.528 136 P HA 0.031 nan 4.420 nan 0.000 0.216 136 P C 1.670 178.816 177.300 -0.256 0.000 1.150 136 P CA 0.811 63.841 63.100 -0.117 0.000 0.837 136 P CB -0.066 31.578 31.700 -0.093 0.000 0.786 137 L N -1.272 119.736 121.223 -0.358 0.000 2.141 137 L HA -0.117 4.224 4.340 0.001 0.000 0.209 137 L C 2.400 179.307 176.870 0.062 0.000 1.094 137 L CA 1.290 55.932 54.840 -0.331 0.000 0.763 137 L CB -0.964 40.763 42.059 -0.555 0.000 0.908 137 L HN -0.047 nan 8.230 nan 0.000 0.437 138 A N -0.439 122.425 122.820 0.073 0.000 1.969 138 A HA -0.200 4.121 4.320 0.001 0.000 0.218 138 A C 2.260 179.917 177.584 0.122 0.000 1.169 138 A CA 1.243 53.362 52.037 0.135 0.000 0.635 138 A CB -0.312 18.754 19.000 0.109 0.000 0.810 138 A HN 0.265 nan 8.150 nan 0.000 0.445 139 M N -0.081 119.583 119.600 0.106 0.000 2.267 139 M HA -0.112 4.368 4.480 0.001 0.000 0.263 139 M C 1.591 177.959 176.300 0.113 0.000 1.063 139 M CA 1.144 56.531 55.300 0.144 0.000 1.090 139 M CB -1.185 31.499 32.600 0.139 0.000 1.392 139 M HN 0.401 nan 8.290 nan 0.000 0.422 140 E N -0.507 119.763 120.200 0.116 0.000 2.216 140 E HA -0.020 4.330 4.350 0.001 0.000 0.192 140 E C 2.026 178.707 176.600 0.136 0.000 0.988 140 E CA 0.653 57.145 56.400 0.153 0.000 0.834 140 E CB -0.154 29.678 29.700 0.221 0.000 0.772 140 E HN 0.446 nan 8.360 nan 0.000 0.479 141 M N -0.126 119.549 119.600 0.125 0.000 2.229 141 M HA -0.051 4.429 4.480 0.001 0.000 0.264 141 M C 1.935 178.191 176.300 -0.072 0.000 1.063 141 M CA 1.066 56.360 55.300 -0.010 0.000 1.114 141 M CB -0.466 32.126 32.600 -0.015 0.000 1.387 141 M HN 0.044 nan 8.290 nan 0.000 0.420 142 L N -1.033 120.120 121.223 -0.117 0.000 2.640 142 L HA 0.182 4.522 4.340 0.001 0.000 0.230 142 L C 1.081 177.763 176.870 -0.313 0.000 1.123 142 L CA -0.225 54.403 54.840 -0.353 0.000 0.900 142 L CB -0.046 41.572 42.059 -0.734 0.000 1.146 142 L HN 0.129 nan 8.230 nan 0.000 0.484 143 R N 1.702 122.148 120.500 -0.090 0.000 2.502 143 R HA -0.064 4.277 4.340 0.001 0.000 0.292 143 R C 0.143 176.434 176.300 -0.015 0.000 0.998 143 R CA 0.418 56.521 56.100 0.005 0.000 1.056 143 R CB 0.026 30.352 30.300 0.044 0.000 0.939 143 R HN 0.248 nan 8.270 nan 0.000 0.411 144 E N 2.379 122.600 120.200 0.037 0.000 2.791 144 E HA -0.293 4.058 4.350 0.001 0.000 0.271 144 E C 0.666 177.250 176.600 -0.025 0.000 1.044 144 E CA 0.792 57.201 56.400 0.016 0.000 0.814 144 E CB -1.150 28.551 29.700 0.001 0.000 1.400 144 E HN 0.767 nan 8.360 nan 0.000 0.423 145 I N 1.106 121.660 120.570 -0.027 0.000 2.700 145 I HA -0.200 3.971 4.170 0.001 0.000 0.261 145 I C 1.587 177.753 176.117 0.082 0.000 1.219 145 I CA 1.737 63.051 61.300 0.023 0.000 1.463 145 I CB 0.080 38.068 38.000 -0.020 0.000 1.092 145 I HN 0.201 nan 8.210 nan 0.000 0.452 146 D N -0.034 120.395 120.400 0.047 0.000 2.319 146 D HA -0.097 4.544 4.640 0.001 0.000 0.230 146 D C 0.683 176.775 176.300 -0.347 0.000 1.094 146 D CA 0.307 54.272 54.000 -0.059 0.000 0.856 146 D CB -0.323 40.508 40.800 0.051 0.000 0.915 146 D HN 0.458 nan 8.370 nan 0.000 0.517 147 E N 0.742 120.677 120.200 -0.442 0.000 2.609 147 E HA 0.088 4.438 4.350 0.001 0.000 0.208 147 E C -0.532 175.624 176.600 -0.740 0.000 1.013 147 E CA -0.314 55.484 56.400 -1.003 0.000 1.093 147 E CB 0.096 29.517 29.700 -0.466 0.000 1.129 147 E HN 0.239 nan 8.360 nan 0.000 0.450 148 E N -0.084 119.851 120.200 -0.441 0.000 2.476 148 E HA -0.210 4.140 4.350 0.001 0.000 0.251 148 E C 0.691 177.260 176.600 -0.050 0.000 1.130 148 E CA 0.811 57.113 56.400 -0.163 0.000 0.736 148 E CB -1.611 28.058 29.700 -0.052 0.000 1.298 148 E HN 0.444 nan 8.360 nan 0.000 0.400 149 T N -3.353 111.174 114.554 -0.045 0.000 3.067 149 T HA 0.215 4.566 4.350 0.001 0.000 0.257 149 T C 0.970 175.672 174.700 0.004 0.000 1.105 149 T CA 0.551 62.632 62.100 -0.032 0.000 1.104 149 T CB 0.222 69.052 68.868 -0.063 0.000 0.925 149 T HN 0.302 nan 8.240 nan 0.000 0.498 150 V N -2.135 117.820 119.914 0.068 0.000 3.114 150 V HA 0.634 4.755 4.120 0.001 0.000 0.308 150 V C -1.809 174.357 176.094 0.121 0.000 1.168 150 V CA -1.492 60.845 62.300 0.061 0.000 1.015 150 V CB 2.027 33.841 31.823 -0.015 0.000 1.050 150 V HN -0.108 nan 8.190 nan 0.000 0.433 151 D N 2.042 122.471 120.400 0.048 0.000 2.351 151 D HA 0.515 5.156 4.640 0.001 0.000 0.251 151 D C -0.786 175.544 176.300 0.049 0.000 1.137 151 D CA 0.648 54.696 54.000 0.080 0.000 0.879 151 D CB 0.904 41.714 40.800 0.016 0.000 1.181 151 D HN 0.466 nan 8.370 nan 0.000 0.448 152 F N 1.451 121.362 119.950 -0.066 0.000 2.507 152 F HA 0.531 5.058 4.527 0.001 0.000 0.327 152 F C 0.644 176.418 175.800 -0.043 0.000 1.068 152 F CA -0.970 56.982 58.000 -0.079 0.000 0.965 152 F CB 1.106 40.061 39.000 -0.074 0.000 1.192 152 F HN 0.172 nan 8.300 nan 0.000 0.476 153 I N -0.681 119.964 120.570 0.126 0.000 3.074 153 I HA 0.668 4.838 4.170 0.001 0.000 0.310 153 I C -3.006 173.176 176.117 0.108 0.000 1.153 153 I CA -2.995 58.358 61.300 0.088 0.000 0.993 153 I CB 2.193 40.213 38.000 0.034 0.000 1.237 153 I HN 0.201 nan 8.210 nan 0.000 0.443 154 P HA 0.069 nan 4.420 nan 0.000 0.267 154 P C -0.809 176.550 177.300 0.098 0.000 1.200 154 P CA -0.039 63.109 63.100 0.080 0.000 0.772 154 P CB 0.282 32.008 31.700 0.043 0.000 0.855 155 N N 2.533 121.300 118.700 0.112 0.000 2.332 155 N HA -0.064 4.677 4.740 0.001 0.000 0.282 155 N C 1.202 176.767 175.510 0.092 0.000 1.288 155 N CA -0.071 53.079 53.050 0.167 0.000 0.949 155 N CB -0.599 38.011 38.487 0.206 0.000 1.108 155 N HN 0.484 nan 8.380 nan 0.000 0.542 156 Y N -1.519 118.828 120.300 0.078 0.000 2.333 156 Y HA 0.001 4.552 4.550 0.001 0.000 0.290 156 Y C 0.887 176.798 175.900 0.019 0.000 1.144 156 Y CA 1.510 59.636 58.100 0.043 0.000 1.228 156 Y CB -0.582 37.897 38.460 0.031 0.000 0.985 156 Y HN 0.541 nan 8.280 nan 0.000 0.542 157 D N -1.159 118.822 120.400 -0.699 0.000 2.431 157 D HA 0.193 4.833 4.640 0.001 0.000 0.213 157 D C 1.745 177.894 176.300 -0.251 0.000 1.130 157 D CA 0.160 53.878 54.000 -0.471 0.000 0.834 157 D CB -0.029 40.369 40.800 -0.671 0.000 0.985 157 D HN 0.504 nan 8.370 nan 0.000 0.504 158 G N 1.263 109.957 108.800 -0.178 0.000 2.189 158 G HA2 -0.418 3.543 3.960 0.001 0.000 0.267 158 G HA3 -0.418 3.543 3.960 0.001 0.000 0.267 158 G C 1.274 176.126 174.900 -0.080 0.000 0.975 158 G CA 0.482 45.531 45.100 -0.085 0.000 0.644 158 G HN 0.437 nan 8.290 nan 0.000 0.537 159 R N -0.512 119.910 120.500 -0.130 0.000 2.161 159 R HA 0.329 4.670 4.340 0.001 0.000 0.213 159 R C 1.289 177.565 176.300 -0.039 0.000 1.055 159 R CA 1.474 57.520 56.100 -0.090 0.000 0.996 159 R CB 0.177 30.403 30.300 -0.124 0.000 0.901 159 R HN 0.854 nan 8.270 nan 0.000 0.456 160 V N -2.841 117.065 119.914 -0.013 0.000 3.160 160 V HA 0.407 4.527 4.120 0.001 0.000 0.310 160 V C -1.079 175.104 176.094 0.148 0.000 1.181 160 V CA -1.325 61.019 62.300 0.073 0.000 1.047 160 V CB 2.332 34.218 31.823 0.104 0.000 1.068 160 V HN -0.153 nan 8.190 nan 0.000 0.441 161 Q N 1.380 121.312 119.800 0.220 0.000 2.214 161 Q HA 0.588 4.929 4.340 0.001 0.000 0.251 161 Q C -0.717 175.553 176.000 0.449 0.000 0.936 161 Q CA -0.300 55.681 55.803 0.296 0.000 0.894 161 Q CB 2.310 31.206 28.738 0.264 0.000 1.252 161 Q HN 1.046 nan 8.270 nan 0.000 0.448 162 E N 0.533 120.908 120.200 0.292 0.000 2.367 162 E HA 0.591 4.942 4.350 0.001 0.000 0.273 162 E C -2.755 173.459 176.600 -0.643 0.000 0.903 162 E CA -2.271 54.072 56.400 -0.096 0.000 0.764 162 E CB 2.209 31.877 29.700 -0.054 0.000 1.252 162 E HN 0.148 nan 8.360 nan 0.000 0.446 163 P HA -0.005 nan 4.420 nan 0.000 0.275 163 P C 0.713 177.601 177.300 -0.686 0.000 1.227 163 P CA -0.207 61.995 63.100 -1.496 0.000 0.781 163 P CB 1.329 32.166 31.700 -1.438 0.000 0.906 164 T N -0.017 114.247 114.554 -0.483 0.000 3.023 164 T HA 0.112 4.463 4.350 0.001 0.000 0.266 164 T C 0.744 175.292 174.700 -0.252 0.000 1.093 164 T CA 0.406 62.342 62.100 -0.274 0.000 1.129 164 T CB -0.161 68.602 68.868 -0.176 0.000 0.899 164 T HN 0.354 nan 8.240 nan 0.000 0.491 165 V N 0.027 119.766 119.914 -0.292 0.000 3.167 165 V HA 0.506 4.627 4.120 0.001 0.000 0.293 165 V C -1.767 174.198 176.094 -0.216 0.000 1.379 165 V CA -1.438 60.724 62.300 -0.230 0.000 1.019 165 V CB 2.171 33.859 31.823 -0.224 0.000 1.115 165 V HN 0.370 nan 8.190 nan 0.000 0.442 166 L N 5.113 126.248 121.223 -0.147 0.000 2.375 166 L HA 0.498 4.839 4.340 0.001 0.000 0.268 166 L C -1.670 175.230 176.870 0.050 0.000 1.058 166 L CA -1.776 53.002 54.840 -0.104 0.000 0.803 166 L CB 1.691 43.683 42.059 -0.111 0.000 1.212 166 L HN 0.449 nan 8.230 nan 0.000 0.451 167 P HA -0.191 nan 4.420 nan 0.000 0.216 167 P C 0.558 177.865 177.300 0.012 0.000 1.150 167 P CA 1.011 64.093 63.100 -0.031 0.000 0.843 167 P CB 0.160 31.809 31.700 -0.084 0.000 0.787 168 S N -1.330 114.370 115.700 0.000 0.000 3.572 168 S HA -0.175 4.296 4.470 0.001 0.000 0.394 168 S C 0.937 175.557 174.600 0.034 0.000 0.923 168 S CA -0.123 58.055 58.200 -0.038 0.000 1.291 168 S CB -1.092 62.144 63.200 0.059 0.000 0.914 168 S HN 0.058 nan 8.310 nan 0.000 0.545 169 R N 0.732 121.255 120.500 0.039 0.000 2.346 169 R HA 0.172 4.512 4.340 0.001 0.000 0.199 169 R C 0.578 177.041 176.300 0.271 0.000 1.015 169 R CA 0.826 57.005 56.100 0.131 0.000 1.058 169 R CB -1.048 29.317 30.300 0.108 0.000 0.921 169 R HN 0.695 nan 8.270 nan 0.000 0.475 170 F N -1.837 118.181 119.950 0.112 0.000 2.629 170 F HA 0.600 5.127 4.527 0.000 0.000 0.316 170 F C -2.685 172.994 175.800 -0.202 0.000 1.081 170 F CA -3.423 54.566 58.000 -0.018 0.000 0.954 170 F CB 1.459 40.380 39.000 -0.131 0.000 1.337 170 F HN -0.291 nan 8.300 nan 0.000 0.474 171 P HA 0.126 nan 4.420 nan 0.000 0.238 171 P C -0.422 176.548 177.300 -0.550 0.000 1.794 171 P CA 0.237 62.680 63.100 -1.095 0.000 1.088 171 P CB 0.577 31.631 31.700 -1.075 0.000 1.923 172 N N 2.371 120.683 118.700 -0.647 0.000 2.166 172 N HA -0.178 4.563 4.740 0.001 0.000 0.186 172 N C 1.549 176.965 175.510 -0.157 0.000 1.019 172 N CA 0.940 53.732 53.050 -0.431 0.000 0.856 172 N CB -0.635 37.511 38.487 -0.568 0.000 0.993 172 N HN 0.098 nan 8.380 nan 0.000 0.426 173 L N 0.616 121.740 121.223 -0.165 0.000 1.990 173 L HA -0.081 4.259 4.340 0.001 0.000 0.213 173 L C 1.927 178.786 176.870 -0.017 0.000 1.072 173 L CA 1.685 56.484 54.840 -0.068 0.000 0.755 173 L CB -0.867 41.160 42.059 -0.053 0.000 0.889 173 L HN 0.305 nan 8.230 nan 0.000 0.432 174 L N -1.024 120.152 121.223 -0.078 0.000 2.156 174 L HA -0.107 4.233 4.340 0.001 0.000 0.208 174 L C 2.567 179.509 176.870 0.121 0.000 1.095 174 L CA 0.919 55.738 54.840 -0.036 0.000 0.770 174 L CB -0.770 41.131 42.059 -0.263 0.000 0.914 174 L HN 0.389 nan 8.230 nan 0.000 0.439 175 A N -0.068 122.800 122.820 0.080 0.000 1.872 175 A HA -0.140 4.180 4.320 0.001 0.000 0.214 175 A C 2.001 179.743 177.584 0.263 0.000 1.187 175 A CA 1.549 53.720 52.037 0.224 0.000 0.614 175 A CB -0.313 18.850 19.000 0.271 0.000 0.826 175 A HN 0.373 nan 8.150 nan 0.000 0.442 176 N N -0.922 117.899 118.700 0.202 0.000 2.325 176 N HA 0.233 4.974 4.740 0.001 0.000 0.182 176 N C 1.008 176.582 175.510 0.108 0.000 1.088 176 N CA 1.035 54.173 53.050 0.148 0.000 0.879 176 N CB 0.468 39.040 38.487 0.142 0.000 0.983 176 N HN 0.628 nan 8.380 nan 0.000 0.471 177 G N 0.488 109.358 108.800 0.116 0.000 2.750 177 G HA2 -0.181 3.780 3.960 0.001 0.000 0.228 177 G HA3 -0.181 3.780 3.960 0.001 0.000 0.228 177 G C -0.634 174.340 174.900 0.124 0.000 1.367 177 G CA 0.017 45.207 45.100 0.150 0.000 0.871 177 G HN 0.398 nan 8.290 nan 0.000 0.560 178 S N -1.357 114.440 115.700 0.162 0.000 2.552 178 S HA 0.785 5.256 4.470 0.001 0.000 0.272 178 S C 0.711 175.389 174.600 0.130 0.000 1.150 178 S CA 1.237 59.498 58.200 0.101 0.000 0.849 178 S CB 0.947 64.181 63.200 0.057 0.000 1.113 178 S HN 3.053 nan 8.310 nan 0.000 0.458 179 G N 1.915 110.765 108.800 0.084 0.000 2.512 179 G HA2 0.338 4.299 3.960 0.001 0.000 0.254 179 G HA3 0.338 4.299 3.960 0.001 0.000 0.254 179 G C 0.473 175.421 174.900 0.080 0.000 1.199 179 G CA 0.057 45.197 45.100 0.066 0.000 0.941 179 G HN 2.153 nan 8.290 nan 0.000 0.569 180 G N -2.443 106.376 108.800 0.031 0.000 2.320 180 G HA2 0.597 4.558 3.960 0.001 0.000 0.296 180 G HA3 0.597 4.558 3.960 0.001 0.000 0.296 180 G C 0.699 175.510 174.900 -0.148 0.000 1.306 180 G CA 0.154 45.250 45.100 -0.006 0.000 0.836 180 G HN 1.958 nan 8.290 nan 0.000 0.517 181 I N -1.214 119.251 120.570 -0.176 0.000 3.291 181 I HA 0.518 4.688 4.170 0.001 0.000 0.279 181 I C 1.256 177.290 176.117 -0.139 0.000 1.294 181 I CA 0.608 61.772 61.300 -0.227 0.000 1.428 181 I CB -0.106 37.794 38.000 -0.167 0.000 1.070 181 I HN 0.572 nan 8.210 nan 0.000 0.478 182 A N 2.405 125.164 122.820 -0.101 0.000 2.462 182 A HA 0.429 4.750 4.320 0.001 0.000 0.243 182 A C 0.647 178.195 177.584 -0.061 0.000 1.076 182 A CA -0.117 51.880 52.037 -0.067 0.000 0.773 182 A CB 0.107 19.078 19.000 -0.049 0.000 1.010 182 A HN 0.438 nan 8.150 nan 0.000 0.493 183 V N 1.543 121.429 119.914 -0.047 0.000 2.694 183 V HA 0.486 4.607 4.120 0.001 0.000 0.306 183 V C 1.236 177.311 176.094 -0.031 0.000 1.054 183 V CA 0.399 62.676 62.300 -0.039 0.000 1.161 183 V CB -0.018 31.788 31.823 -0.028 0.000 0.916 183 V HN 2.507 nan 8.190 nan 0.000 0.490 184 G N 3.171 111.954 108.800 -0.029 0.000 2.213 184 G HA2 -0.196 3.764 3.960 0.001 0.000 0.236 184 G HA3 -0.196 3.764 3.960 0.001 0.000 0.236 184 G C 0.122 175.011 174.900 -0.020 0.000 0.991 184 G CA 0.072 45.159 45.100 -0.021 0.000 0.629 184 G HN 0.768 nan 8.290 nan 0.000 0.517 185 M N 1.257 120.839 119.600 -0.029 0.000 2.246 185 M HA 0.475 4.956 4.480 0.001 0.000 0.350 185 M C 1.697 177.985 176.300 -0.021 0.000 1.406 185 M CA 0.630 55.916 55.300 -0.024 0.000 1.089 185 M CB 0.753 33.329 32.600 -0.040 0.000 1.782 185 M HN 0.490 nan 8.290 nan 0.000 0.457 186 A N 3.165 125.981 122.820 -0.007 0.000 2.123 186 A HA 0.066 4.386 4.320 0.001 0.000 0.214 186 A C 1.110 178.694 177.584 0.001 0.000 1.152 186 A CA 1.037 53.072 52.037 -0.004 0.000 0.728 186 A CB 0.127 19.128 19.000 0.002 0.000 0.814 186 A HN 0.741 nan 8.150 nan 0.000 0.464 187 T N -1.302 113.255 114.554 0.006 0.000 2.864 187 T HA 0.525 4.876 4.350 0.001 0.000 0.299 187 T C -1.958 172.754 174.700 0.021 0.000 1.166 187 T CA -0.641 61.472 62.100 0.021 0.000 1.007 187 T CB 1.393 70.283 68.868 0.038 0.000 1.219 187 T HN 0.122 nan 8.240 nan 0.000 0.506 188 N N 2.725 121.453 118.700 0.046 0.000 2.839 188 N HA 0.333 5.073 4.740 0.001 0.000 0.230 188 N C -1.592 174.069 175.510 0.252 0.000 1.388 188 N CA -0.271 52.811 53.050 0.053 0.000 0.747 188 N CB 0.144 38.512 38.487 -0.198 0.000 1.411 188 N HN 0.577 nan 8.380 nan 0.000 0.556 189 I N 3.175 123.930 120.570 0.308 0.000 2.321 189 I HA 0.433 4.603 4.170 0.001 0.000 0.291 189 I C -1.877 174.496 176.117 0.426 0.000 0.998 189 I CA -1.922 59.587 61.300 0.349 0.000 1.227 189 I CB 1.699 39.832 38.000 0.222 0.000 1.368 189 I HN 0.233 nan 8.210 nan 0.000 0.466 190 P HA 0.283 nan 4.420 nan 0.000 0.276 190 P C -2.684 174.525 177.300 -0.151 0.000 1.244 190 P CA -1.840 61.213 63.100 -0.079 0.000 0.801 190 P CB 0.208 31.521 31.700 -0.646 0.000 1.006 191 P HA 0.276 nan 4.420 nan 0.000 0.276 191 P C -0.811 176.146 177.300 -0.572 0.000 1.252 191 P CA 0.224 63.173 63.100 -0.251 0.000 0.802 191 P CB 0.571 32.101 31.700 -0.283 0.000 1.035 192 H N -1.866 117.123 119.070 -0.136 0.000 2.977 192 H HA 0.384 4.940 4.556 0.000 0.000 0.350 192 H C -0.328 175.001 175.328 0.002 0.000 1.238 192 H CA -0.640 55.334 56.048 -0.123 0.000 1.124 192 H CB 0.818 30.522 29.762 -0.098 0.000 1.866 192 H HN 0.319 nan 8.280 nan 0.000 0.550 193 N N 0.974 119.738 118.700 0.106 0.000 2.458 193 N HA 0.026 4.766 4.740 0.001 0.000 0.270 193 N C 0.806 176.376 175.510 0.100 0.000 1.102 193 N CA -0.301 52.826 53.050 0.128 0.000 0.967 193 N CB 0.716 39.226 38.487 0.038 0.000 1.078 193 N HN 0.519 nan 8.380 nan 0.000 0.471 194 L N 4.536 125.813 121.223 0.091 0.000 2.042 194 L HA -0.102 4.238 4.340 0.001 0.000 0.210 194 L C 1.933 178.736 176.870 -0.112 0.000 1.076 194 L CA 1.813 56.550 54.840 -0.171 0.000 0.749 194 L CB -0.407 41.341 42.059 -0.519 0.000 0.893 194 L HN 0.646 nan 8.230 nan 0.000 0.432 195 R N -0.549 119.924 120.500 -0.045 0.000 2.081 195 R HA -0.150 4.191 4.340 0.001 0.000 0.235 195 R C 2.147 178.422 176.300 -0.040 0.000 1.131 195 R CA 1.714 57.797 56.100 -0.028 0.000 0.960 195 R CB -0.348 29.959 30.300 0.012 0.000 0.856 195 R HN 0.550 nan 8.270 nan 0.000 0.436 196 E N 0.679 120.859 120.200 -0.034 0.000 2.051 196 E HA -0.171 4.180 4.350 0.001 0.000 0.192 196 E C 2.099 178.638 176.600 -0.102 0.000 0.991 196 E CA 1.003 57.374 56.400 -0.048 0.000 0.799 196 E CB -0.113 29.569 29.700 -0.030 0.000 0.748 196 E HN 0.274 nan 8.360 nan 0.000 0.449 197 L N 0.692 121.839 121.223 -0.127 0.000 2.042 197 L HA -0.225 4.116 4.340 0.001 0.000 0.210 197 L C 2.618 179.340 176.870 -0.246 0.000 1.076 197 L CA 1.132 55.855 54.840 -0.195 0.000 0.749 197 L CB -0.532 41.406 42.059 -0.202 0.000 0.893 197 L HN 0.164 nan 8.230 nan 0.000 0.432 198 A N -0.351 122.297 122.820 -0.286 0.000 1.933 198 A HA -0.221 4.099 4.320 0.001 0.000 0.218 198 A C 1.911 179.099 177.584 -0.660 0.000 1.175 198 A CA 1.850 53.541 52.037 -0.577 0.000 0.628 198 A CB -0.481 18.195 19.000 -0.541 0.000 0.814 198 A HN 0.349 nan 8.150 nan 0.000 0.444 199 D N 0.221 120.493 120.400 -0.213 0.000 2.123 199 D HA -0.101 4.539 4.640 0.001 0.000 0.196 199 D C 2.230 178.563 176.300 0.055 0.000 0.992 199 D CA 1.645 55.674 54.000 0.049 0.000 0.833 199 D CB -0.417 40.426 40.800 0.072 0.000 0.954 199 D HN 0.427 nan 8.370 nan 0.000 0.455 200 A N 0.459 123.251 122.820 -0.048 0.000 1.898 200 A HA -0.113 4.208 4.320 0.001 0.000 0.216 200 A C 2.550 180.170 177.584 0.061 0.000 1.181 200 A CA 1.096 53.130 52.037 -0.006 0.000 0.620 200 A CB -0.711 18.216 19.000 -0.123 0.000 0.819 200 A HN 0.141 nan 8.150 nan 0.000 0.442 201 V N -0.777 119.093 119.914 -0.074 0.000 2.295 201 V HA -0.244 3.876 4.120 0.001 0.000 0.246 201 V C 2.351 178.504 176.094 0.097 0.000 1.049 201 V CA 2.066 64.354 62.300 -0.020 0.000 1.024 201 V CB -1.010 30.750 31.823 -0.104 0.000 0.648 201 V HN 0.549 nan 8.190 nan 0.000 0.447 202 F N -1.179 118.841 119.950 0.117 0.000 2.171 202 F HA -0.167 4.360 4.527 0.000 0.000 0.300 202 F C 2.163 178.019 175.800 0.093 0.000 1.090 202 F CA 1.043 59.095 58.000 0.087 0.000 1.293 202 F CB -1.160 37.885 39.000 0.075 0.000 1.013 202 F HN 0.257 nan 8.300 nan 0.000 0.486 203 W N 0.848 122.253 121.300 0.175 0.000 2.355 203 W HA -0.136 4.526 4.660 0.003 0.000 0.309 203 W C 2.479 179.037 176.519 0.064 0.000 1.206 203 W CA 2.572 59.971 57.345 0.091 0.000 1.284 203 W CB -0.420 29.065 29.460 0.042 0.000 1.145 203 W HN -0.047 nan 8.180 nan 0.000 0.502 204 A N 0.038 123.083 122.820 0.375 0.000 1.930 204 A HA -0.155 4.166 4.320 0.001 0.000 0.217 204 A C 2.040 179.637 177.584 0.022 0.000 1.175 204 A CA 1.606 53.780 52.037 0.228 0.000 0.627 204 A CB -0.999 18.146 19.000 0.242 0.000 0.815 204 A HN 0.411 nan 8.150 nan 0.000 0.443 205 L N -0.830 120.431 121.223 0.064 0.000 1.994 205 L HA -0.226 4.114 4.340 0.001 0.000 0.208 205 L C 2.678 179.552 176.870 0.007 0.000 1.071 205 L CA 1.913 56.783 54.840 0.051 0.000 0.745 205 L CB -0.482 41.644 42.059 0.111 0.000 0.892 205 L HN 0.474 nan 8.230 nan 0.000 0.431 206 E N -0.278 119.879 120.200 -0.072 0.000 2.072 206 E HA -0.125 4.225 4.350 0.001 0.000 0.191 206 E C 0.668 177.110 176.600 -0.263 0.000 0.985 206 E CA 0.696 57.015 56.400 -0.135 0.000 0.801 206 E CB 0.056 29.638 29.700 -0.196 0.000 0.750 206 E HN 0.408 nan 8.360 nan 0.000 0.452 207 N N 1.506 119.874 118.700 -0.554 0.000 3.209 207 N HA -0.009 4.732 4.740 0.001 0.000 0.309 207 N C 0.479 175.732 175.510 -0.429 0.000 1.384 207 N CA 0.046 52.660 53.050 -0.727 0.000 1.173 207 N CB 0.227 37.773 38.487 -1.568 0.000 1.460 207 N HN 0.420 nan 8.380 nan 0.000 0.534 208 H N -1.139 117.797 119.070 -0.223 0.000 2.521 208 H HA 0.037 4.593 4.556 0.001 0.000 0.286 208 H C -0.228 175.049 175.328 -0.086 0.000 1.034 208 H CA 0.540 56.514 56.048 -0.125 0.000 1.278 208 H CB 0.428 30.135 29.762 -0.091 0.000 1.386 208 H HN 0.083 nan 8.280 nan 0.000 0.567 209 D N 1.108 121.304 120.400 -0.340 0.000 2.349 209 D HA 0.253 4.894 4.640 0.001 0.000 0.214 209 D C 0.732 176.979 176.300 -0.088 0.000 1.063 209 D CA 0.173 54.072 54.000 -0.168 0.000 0.847 209 D CB 0.311 40.978 40.800 -0.221 0.000 0.933 209 D HN 0.489 nan 8.370 nan 0.000 0.513 210 A N 1.457 124.230 122.820 -0.078 0.000 2.425 210 A HA 0.302 4.622 4.320 0.001 0.000 0.249 210 A C 0.399 178.026 177.584 0.071 0.000 1.084 210 A CA -0.543 51.517 52.037 0.038 0.000 0.781 210 A CB 0.348 19.461 19.000 0.187 0.000 1.019 210 A HN 0.080 nan 8.150 nan 0.000 0.490 211 D N 1.327 121.768 120.400 0.067 0.000 2.414 211 D HA 0.106 4.747 4.640 0.001 0.000 0.251 211 D C 0.664 176.997 176.300 0.055 0.000 1.252 211 D CA -0.051 53.977 54.000 0.047 0.000 0.999 211 D CB 0.216 41.033 40.800 0.029 0.000 1.093 211 D HN 0.588 nan 8.370 nan 0.000 0.515 212 E N -0.818 119.397 120.200 0.026 0.000 2.072 212 E HA -0.204 4.147 4.350 0.001 0.000 0.191 212 E C 1.695 178.299 176.600 0.007 0.000 0.985 212 E CA 1.100 57.507 56.400 0.012 0.000 0.801 212 E CB -0.022 29.676 29.700 -0.003 0.000 0.750 212 E HN 0.687 nan 8.360 nan 0.000 0.452 213 E N 1.058 121.264 120.200 0.009 0.000 2.077 213 E HA -0.255 4.095 4.350 0.001 0.000 0.193 213 E C 2.080 178.672 176.600 -0.014 0.000 0.989 213 E CA 1.163 57.561 56.400 -0.003 0.000 0.800 213 E CB 0.084 29.786 29.700 0.003 0.000 0.746 213 E HN 0.212 nan 8.360 nan 0.000 0.452 214 E N -0.645 119.567 120.200 0.021 0.000 2.106 214 E HA -0.138 4.212 4.350 0.001 0.000 0.192 214 E C 1.803 178.373 176.600 -0.050 0.000 0.984 214 E CA 1.562 57.980 56.400 0.031 0.000 0.806 214 E CB 0.085 29.870 29.700 0.142 0.000 0.750 214 E HN 0.192 nan 8.360 nan 0.000 0.458 215 T N 1.456 116.031 114.554 0.035 0.000 2.777 215 T HA -0.137 4.213 4.350 0.001 0.000 0.266 215 T C 1.743 176.322 174.700 -0.202 0.000 1.040 215 T CA 0.983 63.075 62.100 -0.013 0.000 1.141 215 T CB -0.223 68.742 68.868 0.162 0.000 0.868 215 T HN 0.109 nan 8.240 nan 0.000 0.444 216 L N 1.580 122.730 121.223 -0.122 0.000 2.017 216 L HA 0.059 4.400 4.340 0.001 0.000 0.208 216 L C 2.614 179.377 176.870 -0.178 0.000 1.073 216 L CA 1.936 56.699 54.840 -0.129 0.000 0.745 216 L CB -1.063 40.958 42.059 -0.064 0.000 0.894 216 L HN 0.223 nan 8.230 nan 0.000 0.432 217 A N -0.671 122.042 122.820 -0.179 0.000 1.933 217 A HA -0.098 4.222 4.320 0.001 0.000 0.218 217 A C 2.424 179.814 177.584 -0.322 0.000 1.175 217 A CA 1.812 53.733 52.037 -0.193 0.000 0.628 217 A CB -1.108 17.808 19.000 -0.140 0.000 0.814 217 A HN 0.576 nan 8.150 nan 0.000 0.444 218 A N -0.128 122.349 122.820 -0.571 0.000 1.898 218 A HA 0.039 4.359 4.320 0.001 0.000 0.216 218 A C 2.300 179.497 177.584 -0.646 0.000 1.181 218 A CA 2.004 53.498 52.037 -0.906 0.000 0.620 218 A CB -1.102 16.506 19.000 -2.321 0.000 0.819 218 A HN 1.134 nan 8.150 nan 0.000 0.442 219 V N -3.104 116.509 119.914 -0.502 0.000 2.591 219 V HA -0.131 3.990 4.120 0.001 0.000 0.249 219 V C 2.204 178.123 176.094 -0.292 0.000 1.053 219 V CA 1.952 64.053 62.300 -0.332 0.000 1.068 219 V CB -0.855 30.813 31.823 -0.259 0.000 0.689 219 V HN 0.464 nan 8.190 nan 0.000 0.462 220 M N 1.274 120.725 119.600 -0.249 0.000 2.319 220 M HA 0.116 4.596 4.480 0.001 0.000 0.265 220 M C 2.226 178.462 176.300 -0.108 0.000 1.068 220 M CA 1.585 56.795 55.300 -0.149 0.000 1.118 220 M CB -0.638 31.935 32.600 -0.045 0.000 1.395 220 M HN 0.545 nan 8.290 nan 0.000 0.435 221 G N 0.232 108.937 108.800 -0.157 0.000 2.443 221 G HA2 -0.156 3.805 3.960 0.001 0.000 0.219 221 G HA3 -0.156 3.805 3.960 0.001 0.000 0.219 221 G C 1.716 176.554 174.900 -0.104 0.000 1.131 221 G CA 0.472 45.499 45.100 -0.122 0.000 0.775 221 G HN 0.387 nan 8.290 nan 0.000 0.547 222 R N -1.023 119.396 120.500 -0.136 0.000 2.175 222 R HA 0.193 4.534 4.340 0.001 0.000 0.202 222 R C 0.127 176.374 176.300 -0.088 0.000 1.018 222 R CA -0.031 56.010 56.100 -0.098 0.000 1.029 222 R CB 0.445 30.683 30.300 -0.104 0.000 0.959 222 R HN 0.166 nan 8.270 nan 0.000 0.480 223 V N 3.044 122.880 119.914 -0.130 0.000 2.339 223 V HA 0.081 4.202 4.120 0.001 0.000 0.261 223 V C 0.541 176.641 176.094 0.010 0.000 1.058 223 V CA -0.105 62.129 62.300 -0.112 0.000 0.897 223 V CB 1.300 32.940 31.823 -0.305 0.000 1.052 223 V HN 0.113 nan 8.190 nan 0.000 0.480 224 K N 3.198 123.622 120.400 0.039 0.000 2.288 224 K HA 0.234 4.554 4.320 0.001 0.000 0.201 224 K C 0.931 177.598 176.600 0.112 0.000 1.048 224 K CA 0.817 57.137 56.287 0.055 0.000 0.956 224 K CB 0.143 32.648 32.500 0.008 0.000 0.746 224 K HN 0.890 nan 8.250 nan 0.000 0.461 225 G N 0.423 109.326 108.800 0.172 0.000 2.337 225 G HA2 0.122 4.082 3.960 0.001 0.000 0.298 225 G HA3 0.122 4.082 3.960 0.001 0.000 0.298 225 G C -3.191 171.666 174.900 -0.072 0.000 1.335 225 G CA -1.173 43.987 45.100 0.100 0.000 0.875 225 G HN -0.263 nan 8.290 nan 0.000 0.579 226 P HA 0.303 nan 4.420 nan 0.000 0.269 226 P C -0.919 175.827 177.300 -0.924 0.000 1.217 226 P CA 0.314 62.791 63.100 -1.039 0.000 0.783 226 P CB 0.684 31.541 31.700 -1.406 0.000 0.898 227 D N 1.380 121.226 120.400 -0.925 0.000 2.421 227 D HA 0.304 4.945 4.640 0.001 0.000 0.254 227 D C -1.187 174.727 176.300 -0.643 0.000 1.238 227 D CA -0.446 53.187 54.000 -0.612 0.000 0.919 227 D CB -0.063 40.562 40.800 -0.292 0.000 1.152 227 D HN -0.044 nan 8.370 nan 0.000 0.552 228 F N 3.335 123.075 119.950 -0.350 0.000 2.382 228 F HA 0.322 4.849 4.527 -0.000 0.000 0.331 228 F C -0.806 174.833 175.800 -0.269 0.000 1.121 228 F CA -2.045 55.688 58.000 -0.445 0.000 1.183 228 F CB 0.555 39.328 39.000 -0.379 0.000 1.207 228 F HN 0.235 nan 8.300 nan 0.000 0.555 229 P HA -0.121 nan 4.420 nan 0.000 0.218 229 P C 0.994 178.347 177.300 0.089 0.000 1.149 229 P CA 1.642 64.734 63.100 -0.013 0.000 0.817 229 P CB -0.335 31.383 31.700 0.029 0.000 0.785 230 T N -3.964 110.697 114.554 0.180 0.000 3.148 230 T HA 0.485 4.836 4.350 0.001 0.000 0.253 230 T C 1.117 175.888 174.700 0.119 0.000 1.134 230 T CA 0.371 62.577 62.100 0.177 0.000 1.051 230 T CB -0.541 68.458 68.868 0.219 0.000 0.959 230 T HN 0.289 nan 8.240 nan 0.000 0.525 231 A N 1.176 124.062 122.820 0.109 0.000 5.277 231 A HA 0.199 4.520 4.320 0.001 0.000 0.304 231 A C 1.473 179.117 177.584 0.100 0.000 1.976 231 A CA 1.015 53.097 52.037 0.076 0.000 0.715 231 A CB -1.936 17.090 19.000 0.042 0.000 1.275 231 A HN 2.264 nan 8.150 nan 0.000 0.367 232 G N -2.406 106.426 108.800 0.053 0.000 2.598 232 G HA2 0.204 4.164 3.960 0.001 0.000 0.244 232 G HA3 0.204 4.164 3.960 0.001 0.000 0.244 232 G C -0.212 174.716 174.900 0.046 0.000 1.302 232 G CA 0.289 45.411 45.100 0.037 0.000 0.903 232 G HN 2.043 nan 8.290 nan 0.000 0.575 233 L N -0.641 120.604 121.223 0.038 0.000 2.388 233 L HA 0.739 5.080 4.340 0.001 0.000 0.264 233 L C -0.121 176.772 176.870 0.038 0.000 0.998 233 L CA -0.921 53.931 54.840 0.020 0.000 0.817 233 L CB 2.263 44.314 42.059 -0.013 0.000 1.338 233 L HN 0.563 nan 8.230 nan 0.000 0.414 234 I N 1.851 122.435 120.570 0.024 0.000 2.433 234 I HA 0.451 4.621 4.170 0.001 0.000 0.292 234 I C -0.797 175.310 176.117 -0.018 0.000 1.001 234 I CA -0.787 60.526 61.300 0.021 0.000 1.119 234 I CB 2.318 40.321 38.000 0.005 0.000 1.289 234 I HN 0.171 nan 8.210 nan 0.000 0.438 235 V N 5.404 125.299 119.914 -0.031 0.000 2.378 235 V HA 0.869 4.989 4.120 0.001 0.000 0.288 235 V C 0.283 176.356 176.094 -0.036 0.000 1.016 235 V CA -0.368 61.905 62.300 -0.046 0.000 0.840 235 V CB 0.897 32.672 31.823 -0.081 0.000 0.994 235 V HN 1.067 nan 8.190 nan 0.000 0.431 236 G N 4.143 112.925 108.800 -0.030 0.000 2.663 236 G HA2 -0.011 3.950 3.960 0.001 0.000 0.686 236 G HA3 -0.011 3.950 3.960 0.001 0.000 0.686 236 G C 0.266 175.148 174.900 -0.029 0.000 1.246 236 G CA -0.050 45.034 45.100 -0.027 0.000 0.795 236 G HN 1.269 nan 8.290 nan 0.000 0.627 237 S N -0.865 114.819 115.700 -0.028 0.000 2.506 237 S HA 0.143 4.614 4.470 0.001 0.000 0.219 237 S C 1.756 176.332 174.600 -0.040 0.000 1.031 237 S CA 1.203 59.384 58.200 -0.032 0.000 0.911 237 S CB 0.517 63.705 63.200 -0.021 0.000 0.812 237 S HN 0.869 nan 8.310 nan 0.000 0.497 238 Q N 2.417 122.197 119.800 -0.033 0.000 2.083 238 Q HA 0.190 4.530 4.340 0.001 0.000 0.198 238 Q C 2.056 178.029 176.000 -0.046 0.000 0.969 238 Q CA 1.950 57.734 55.803 -0.032 0.000 0.838 238 Q CB -1.221 27.504 28.738 -0.021 0.000 0.900 238 Q HN 0.583 nan 8.270 nan 0.000 0.436 239 G N -0.974 107.799 108.800 -0.046 0.000 2.418 239 G HA2 -0.246 3.714 3.960 0.001 0.000 0.217 239 G HA3 -0.246 3.714 3.960 0.001 0.000 0.217 239 G C 1.431 176.264 174.900 -0.112 0.000 1.158 239 G CA 1.305 46.377 45.100 -0.047 0.000 0.771 239 G HN 0.426 nan 8.290 nan 0.000 0.545 240 T N 1.591 116.047 114.554 -0.164 0.000 2.708 240 T HA 0.019 4.369 4.350 0.001 0.000 0.266 240 T C 2.837 177.293 174.700 -0.406 0.000 1.037 240 T CA 1.563 63.447 62.100 -0.359 0.000 1.146 240 T CB -0.392 68.306 68.868 -0.282 0.000 0.865 240 T HN 0.370 nan 8.240 nan 0.000 0.435 241 A N 1.970 124.689 122.820 -0.168 0.000 1.877 241 A HA -0.166 4.155 4.320 0.001 0.000 0.216 241 A C 2.119 179.672 177.584 -0.053 0.000 1.186 241 A CA 1.850 53.847 52.037 -0.067 0.000 0.620 241 A CB -0.746 18.240 19.000 -0.023 0.000 0.822 241 A HN 0.348 nan 8.150 nan 0.000 0.443 242 D N 0.129 120.493 120.400 -0.060 0.000 2.104 242 D HA -0.100 4.540 4.640 0.001 0.000 0.194 242 D C 2.260 178.545 176.300 -0.024 0.000 0.994 242 D CA 1.684 55.668 54.000 -0.027 0.000 0.830 242 D CB -0.534 40.252 40.800 -0.023 0.000 0.959 242 D HN 0.420 nan 8.370 nan 0.000 0.452 243 A N 0.238 123.004 122.820 -0.089 0.000 1.908 243 A HA -0.220 4.101 4.320 0.001 0.000 0.218 243 A C 2.001 179.628 177.584 0.071 0.000 1.181 243 A CA 1.265 53.270 52.037 -0.053 0.000 0.627 243 A CB -0.972 17.940 19.000 -0.147 0.000 0.818 243 A HN 0.228 nan 8.150 nan 0.000 0.445 244 Y N -0.098 120.220 120.300 0.030 0.000 2.337 244 Y HA 0.006 4.557 4.550 0.001 0.000 0.293 244 Y C 2.255 178.153 175.900 -0.004 0.000 1.123 244 Y CA 0.985 59.088 58.100 0.005 0.000 1.201 244 Y CB -0.375 38.076 38.460 -0.015 0.000 1.011 244 Y HN 0.319 nan 8.280 nan 0.000 0.545 245 K N -0.862 119.627 120.400 0.147 0.000 2.243 245 K HA -0.011 4.309 4.320 0.001 0.000 0.201 245 K C 1.628 178.265 176.600 0.061 0.000 1.051 245 K CA 1.630 57.965 56.287 0.080 0.000 0.970 245 K CB 0.051 32.581 32.500 0.050 0.000 0.755 245 K HN 0.387 nan 8.250 nan 0.000 0.465 246 T N -4.934 109.658 114.554 0.063 0.000 2.986 246 T HA 0.240 4.590 4.350 0.001 0.000 0.264 246 T C 1.311 176.046 174.700 0.058 0.000 0.964 246 T CA 0.496 62.625 62.100 0.049 0.000 0.895 246 T CB 1.072 69.960 68.868 0.033 0.000 1.163 246 T HN 0.242 nan 8.240 nan 0.000 0.517 247 G N 1.702 110.549 108.800 0.079 0.000 2.195 247 G HA2 -0.200 3.760 3.960 0.001 0.000 0.246 247 G HA3 -0.200 3.760 3.960 0.001 0.000 0.246 247 G C 0.053 174.998 174.900 0.074 0.000 0.984 247 G CA -0.049 45.104 45.100 0.087 0.000 0.633 247 G HN 0.757 nan 8.290 nan 0.000 0.525 248 R N -0.350 120.182 120.500 0.053 0.000 2.621 248 R HA 0.636 4.977 4.340 0.001 0.000 0.284 248 R C -0.072 176.244 176.300 0.027 0.000 0.998 248 R CA -0.069 56.055 56.100 0.041 0.000 0.895 248 R CB 2.162 32.477 30.300 0.027 0.000 1.195 248 R HN 0.768 nan 8.270 nan 0.000 0.450 249 G N -0.193 108.625 108.800 0.030 0.000 2.601 249 G HA2 0.286 4.247 3.960 0.001 0.000 0.291 249 G HA3 0.286 4.247 3.960 0.001 0.000 0.291 249 G C -1.619 173.303 174.900 0.037 0.000 1.456 249 G CA -0.457 44.651 45.100 0.014 0.000 0.804 249 G HN 0.319 nan 8.290 nan 0.000 0.499 250 S N 0.106 115.821 115.700 0.025 0.000 2.423 250 S HA 0.584 5.055 4.470 0.001 0.000 0.317 250 S C -0.037 174.595 174.600 0.053 0.000 1.065 250 S CA -0.648 57.576 58.200 0.040 0.000 1.111 250 S CB -0.236 62.973 63.200 0.015 0.000 0.968 250 S HN 0.401 nan 8.310 nan 0.000 0.474 251 I N 5.537 126.179 120.570 0.120 0.000 2.307 251 I HA 0.364 4.534 4.170 0.001 0.000 0.289 251 I C 0.581 176.764 176.117 0.110 0.000 1.021 251 I CA -0.582 60.783 61.300 0.109 0.000 1.224 251 I CB 1.006 39.095 38.000 0.149 0.000 1.376 251 I HN 0.501 nan 8.210 nan 0.000 0.470 252 R N 7.924 128.450 120.500 0.044 0.000 2.296 252 R HA 0.411 4.752 4.340 0.001 0.000 0.323 252 R C -0.798 175.507 176.300 0.009 0.000 1.067 252 R CA -0.139 55.968 56.100 0.012 0.000 0.946 252 R CB 0.528 30.810 30.300 -0.029 0.000 0.991 252 R HN 0.600 nan 8.270 nan 0.000 0.448 253 M N 3.976 123.579 119.600 0.004 0.000 2.478 253 M HA 0.491 4.971 4.480 0.001 0.000 0.327 253 M C -0.126 176.121 176.300 -0.088 0.000 1.187 253 M CA -0.560 54.728 55.300 -0.020 0.000 1.022 253 M CB 2.200 34.763 32.600 -0.061 0.000 1.629 253 M HN 0.466 nan 8.290 nan 0.000 0.461 254 R N -0.223 120.220 120.500 -0.095 0.000 2.740 254 R HA 0.622 4.963 4.340 0.001 0.000 0.273 254 R C -0.159 176.101 176.300 -0.067 0.000 0.998 254 R CA -0.743 55.276 56.100 -0.135 0.000 0.900 254 R CB 2.257 32.403 30.300 -0.257 0.000 1.223 254 R HN 0.929 nan 8.270 nan 0.000 0.466 255 G N 0.477 109.250 108.800 -0.044 0.000 2.508 255 G HA2 0.419 4.380 3.960 0.001 0.000 0.278 255 G HA3 0.419 4.380 3.960 0.001 0.000 0.278 255 G C -0.822 174.089 174.900 0.018 0.000 1.389 255 G CA -0.304 44.771 45.100 -0.043 0.000 1.050 255 G HN 0.244 nan 8.290 nan 0.000 0.522 256 V N -0.526 119.392 119.914 0.007 0.000 2.588 256 V HA 0.493 4.614 4.120 0.001 0.000 0.304 256 V C -0.494 175.619 176.094 0.031 0.000 1.042 256 V CA -0.546 61.773 62.300 0.031 0.000 0.877 256 V CB 1.774 33.605 31.823 0.013 0.000 0.996 256 V HN 0.480 nan 8.190 nan 0.000 0.425 257 V N 3.859 123.805 119.914 0.053 0.000 2.540 257 V HA 0.590 4.710 4.120 0.001 0.000 0.302 257 V C -0.370 175.739 176.094 0.025 0.000 1.035 257 V CA -0.724 61.597 62.300 0.035 0.000 0.873 257 V CB 1.914 33.756 31.823 0.032 0.000 0.992 257 V HN 0.809 nan 8.190 nan 0.000 0.428 258 E N 2.446 122.655 120.200 0.015 0.000 2.222 258 E HA 0.633 4.984 4.350 0.001 0.000 0.267 258 E C -1.060 175.543 176.600 0.006 0.000 0.963 258 E CA -0.646 55.761 56.400 0.011 0.000 0.837 258 E CB 2.691 32.395 29.700 0.008 0.000 1.183 258 E HN 0.388 nan 8.360 nan 0.000 0.403 259 V N 1.849 121.766 119.914 0.004 0.000 2.417 259 V HA 0.301 4.422 4.120 0.001 0.000 0.291 259 V C 0.027 176.122 176.094 0.000 0.000 1.024 259 V CA -0.588 61.712 62.300 0.000 0.000 0.861 259 V CB 1.439 33.261 31.823 -0.001 0.000 0.985 259 V HN 0.511 nan 8.190 nan 0.000 0.436 260 E N 2.913 123.112 120.200 -0.001 0.000 2.227 260 E HA 0.519 4.870 4.350 0.001 0.000 0.268 260 E C -0.911 175.687 176.600 -0.003 0.000 0.907 260 E CA -0.805 55.594 56.400 -0.001 0.000 0.786 260 E CB 2.624 32.323 29.700 -0.001 0.000 1.191 260 E HN 0.886 nan 8.360 nan 0.000 0.411 261 E N 1.246 121.445 120.200 -0.002 0.000 2.214 261 E HA 0.393 4.743 4.350 0.001 0.000 0.274 261 E C -1.002 175.596 176.600 -0.003 0.000 0.977 261 E CA -0.771 55.627 56.400 -0.003 0.000 0.827 261 E CB 1.514 31.213 29.700 -0.002 0.000 1.130 261 E HN 0.210 nan 8.360 nan 0.000 0.394 262 D N 0.326 120.723 120.400 -0.004 0.000 2.440 262 D HA 0.163 4.803 4.640 0.001 0.000 0.258 262 D C 0.756 177.054 176.300 -0.004 0.000 1.092 262 D CA -0.304 53.694 54.000 -0.004 0.000 1.016 262 D CB 1.648 42.445 40.800 -0.005 0.000 1.141 262 D HN 0.442 nan 8.370 nan 0.000 0.552 263 S N 0.555 116.253 115.700 -0.003 0.000 2.377 263 S HA -0.065 4.405 4.470 0.001 0.000 0.223 263 S C 1.470 176.068 174.600 -0.004 0.000 1.030 263 S CA 0.449 58.648 58.200 -0.003 0.000 0.970 263 S CB -0.208 62.990 63.200 -0.003 0.000 0.830 263 S HN 0.460 nan 8.310 nan 0.000 0.473 264 R N 1.481 121.979 120.500 -0.004 0.000 2.343 264 R HA 0.223 4.563 4.340 0.001 0.000 0.202 264 R C 1.388 177.685 176.300 -0.005 0.000 1.023 264 R CA 0.402 56.499 56.100 -0.005 0.000 1.084 264 R CB -0.692 29.605 30.300 -0.005 0.000 0.956 264 R HN 0.682 nan 8.270 nan 0.000 0.478 265 G N 1.103 109.900 108.800 -0.005 0.000 2.159 265 G HA2 -0.264 3.697 3.960 0.001 0.000 0.256 265 G HA3 -0.264 3.697 3.960 0.001 0.000 0.256 265 G C -0.103 174.794 174.900 -0.006 0.000 0.977 265 G CA -0.324 44.773 45.100 -0.005 0.000 0.652 265 G HN 0.142 nan 8.290 nan 0.000 0.531 266 R N 1.288 121.784 120.500 -0.007 0.000 2.254 266 R HA 0.541 4.881 4.340 0.001 0.000 0.318 266 R C 0.669 176.964 176.300 -0.008 0.000 1.031 266 R CA 0.402 56.497 56.100 -0.008 0.000 0.905 266 R CB 0.886 31.180 30.300 -0.009 0.000 1.050 266 R HN 0.543 nan 8.270 nan 0.000 0.456 267 T N -1.336 113.213 114.554 -0.009 0.000 2.902 267 T HA 0.607 4.957 4.350 0.001 0.000 0.283 267 T C 0.078 174.771 174.700 -0.010 0.000 1.009 267 T CA -0.579 61.515 62.100 -0.009 0.000 1.051 267 T CB 1.526 70.389 68.868 -0.009 0.000 0.999 267 T HN 0.280 nan 8.240 nan 0.000 0.474 268 S N 1.442 117.137 115.700 -0.009 0.000 2.548 268 S HA 0.619 5.089 4.470 0.001 0.000 0.286 268 S C -0.599 173.997 174.600 -0.008 0.000 1.098 268 S CA -0.897 57.297 58.200 -0.009 0.000 0.930 268 S CB 1.008 64.203 63.200 -0.007 0.000 1.070 268 S HN 0.698 nan 8.310 nan 0.000 0.480 269 L N 2.039 123.258 121.223 -0.008 0.000 2.307 269 L HA 0.680 5.021 4.340 0.001 0.000 0.282 269 L C -0.934 175.940 176.870 0.005 0.000 1.051 269 L CA -0.825 54.013 54.840 -0.004 0.000 0.804 269 L CB 1.247 43.300 42.059 -0.010 0.000 1.197 269 L HN 0.287 nan 8.230 nan 0.000 0.431 270 V N 4.476 124.395 119.914 0.009 0.000 2.409 270 V HA 0.374 4.495 4.120 0.001 0.000 0.290 270 V C 0.076 176.178 176.094 0.014 0.000 1.017 270 V CA -0.338 61.968 62.300 0.011 0.000 0.841 270 V CB 1.752 33.578 31.823 0.005 0.000 1.003 270 V HN 0.519 nan 8.190 nan 0.000 0.426 271 I N 4.756 125.341 120.570 0.024 0.000 2.352 271 I HA 0.254 4.425 4.170 0.001 0.000 0.290 271 I C 1.357 177.452 176.117 -0.036 0.000 1.036 271 I CA 0.135 61.438 61.300 0.006 0.000 1.336 271 I CB 1.642 39.671 38.000 0.048 0.000 1.407 271 I HN 0.794 nan 8.210 nan 0.000 0.497 272 T N 0.897 115.425 114.554 -0.043 0.000 2.985 272 T HA 0.329 4.679 4.350 0.001 0.000 0.254 272 T C 0.405 175.066 174.700 -0.066 0.000 1.021 272 T CA -0.148 61.923 62.100 -0.047 0.000 0.957 272 T CB 0.278 69.135 68.868 -0.019 0.000 1.047 272 T HN 0.574 nan 8.240 nan 0.000 0.511 273 E N 0.272 120.422 120.200 -0.083 0.000 2.366 273 E HA 0.698 5.049 4.350 0.001 0.000 0.278 273 E C -1.730 174.785 176.600 -0.141 0.000 0.923 273 E CA -0.830 55.521 56.400 -0.081 0.000 0.761 273 E CB 2.666 32.350 29.700 -0.026 0.000 1.231 273 E HN 0.123 nan 8.360 nan 0.000 0.443 274 L N 1.513 122.650 121.223 -0.143 0.000 2.350 274 L HA 0.565 4.906 4.340 0.001 0.000 0.260 274 L C -2.474 174.330 176.870 -0.110 0.000 1.015 274 L CA -2.363 52.353 54.840 -0.208 0.000 0.821 274 L CB 2.189 44.062 42.059 -0.311 0.000 1.370 274 L HN 0.273 nan 8.230 nan 0.000 0.416 275 P HA -0.046 nan 4.420 nan 0.000 0.270 275 P C -1.052 176.183 177.300 -0.109 0.000 1.223 275 P CA -0.141 62.877 63.100 -0.138 0.000 0.785 275 P CB 0.214 31.834 31.700 -0.133 0.000 0.923 276 Y N 2.301 122.343 120.300 -0.431 0.000 2.811 276 Y HA -0.137 4.414 4.550 0.001 0.000 0.334 276 Y C 1.415 177.230 175.900 -0.142 0.000 1.247 276 Y CA 0.904 58.795 58.100 -0.347 0.000 1.526 276 Y CB -0.405 37.569 38.460 -0.809 0.000 1.284 276 Y HN 0.553 nan 8.280 nan 0.000 0.586 277 Q N 0.819 120.381 119.800 -0.396 0.000 2.452 277 Q HA -0.197 4.144 4.340 0.001 0.000 0.248 277 Q C -0.676 175.242 176.000 -0.137 0.000 0.874 277 Q CA 0.759 56.355 55.803 -0.346 0.000 1.208 277 Q CB -1.989 26.451 28.738 -0.496 0.000 1.569 277 Q HN 0.361 nan 8.270 nan 0.000 0.579 278 V N 2.263 122.134 119.914 -0.072 0.000 2.385 278 V HA 0.139 4.260 4.120 0.001 0.000 0.269 278 V C 0.627 176.747 176.094 0.043 0.000 1.043 278 V CA -0.493 61.796 62.300 -0.018 0.000 0.906 278 V CB 1.329 33.122 31.823 -0.050 0.000 0.995 278 V HN 0.225 nan 8.190 nan 0.000 0.467 279 N N 4.127 122.855 118.700 0.048 0.000 2.452 279 N HA 0.045 4.786 4.740 0.001 0.000 0.266 279 N C 1.195 176.802 175.510 0.161 0.000 1.209 279 N CA 0.329 53.407 53.050 0.046 0.000 0.929 279 N CB 0.435 38.940 38.487 0.029 0.000 1.063 279 N HN 0.728 nan 8.380 nan 0.000 0.472 280 H N 2.118 121.169 119.070 -0.031 0.000 2.387 280 H HA -0.116 4.440 4.556 0.001 0.000 0.299 280 H C 0.450 175.828 175.328 0.083 0.000 1.099 280 H CA 0.966 57.026 56.048 0.020 0.000 1.315 280 H CB 0.589 30.319 29.762 -0.053 0.000 1.380 280 H HN 0.608 nan 8.280 nan 0.000 0.513 281 D N 0.244 120.738 120.400 0.158 0.000 2.123 281 D HA -0.099 4.541 4.640 0.001 0.000 0.200 281 D C 1.805 178.151 176.300 0.078 0.000 0.976 281 D CA 0.608 54.661 54.000 0.089 0.000 0.831 281 D CB -0.215 40.607 40.800 0.035 0.000 0.974 281 D HN 0.333 nan 8.370 nan 0.000 0.469 282 N N 0.398 119.150 118.700 0.088 0.000 2.244 282 N HA -0.125 4.615 4.740 0.001 0.000 0.183 282 N C 1.596 177.167 175.510 0.101 0.000 1.016 282 N CA 0.258 53.351 53.050 0.072 0.000 0.866 282 N CB -0.509 38.016 38.487 0.062 0.000 0.980 282 N HN 0.205 nan 8.380 nan 0.000 0.430 283 F N 1.633 121.592 119.950 0.015 0.000 2.084 283 F HA -0.006 4.521 4.527 0.001 0.000 0.296 283 F C 2.041 177.839 175.800 -0.002 0.000 1.111 283 F CA 0.999 59.004 58.000 0.008 0.000 1.224 283 F CB -0.413 38.591 39.000 0.005 0.000 0.991 283 F HN -0.116 nan 8.300 nan 0.000 0.471 284 I N -0.025 120.491 120.570 -0.089 0.000 2.163 284 I HA -0.365 3.805 4.170 0.001 0.000 0.243 284 I C 2.291 178.290 176.117 -0.197 0.000 1.085 284 I CA 1.959 63.144 61.300 -0.192 0.000 1.347 284 I CB -0.900 37.086 38.000 -0.022 0.000 1.044 284 I HN 0.182 nan 8.210 nan 0.000 0.408 285 T N 0.041 114.532 114.554 -0.105 0.000 2.720 285 T HA -0.202 4.149 4.350 0.001 0.000 0.268 285 T C 2.074 176.704 174.700 -0.117 0.000 1.037 285 T CA 1.876 63.925 62.100 -0.086 0.000 1.144 285 T CB -0.376 68.469 68.868 -0.040 0.000 0.864 285 T HN 0.577 nan 8.240 nan 0.000 0.444 286 S N 1.186 116.799 115.700 -0.144 0.000 2.399 286 S HA -0.038 4.432 4.470 0.001 0.000 0.231 286 S C 2.063 176.553 174.600 -0.184 0.000 1.022 286 S CA 0.757 58.877 58.200 -0.133 0.000 0.983 286 S CB -0.748 62.398 63.200 -0.090 0.000 0.803 286 S HN 0.528 nan 8.310 nan 0.000 0.480 287 I N 2.309 122.697 120.570 -0.303 0.000 2.163 287 I HA -0.103 4.068 4.170 0.001 0.000 0.240 287 I C 3.159 179.175 176.117 -0.168 0.000 1.081 287 I CA 1.038 62.176 61.300 -0.270 0.000 1.353 287 I CB -0.885 36.900 38.000 -0.359 0.000 1.054 287 I HN 0.420 nan 8.210 nan 0.000 0.407 288 A N 0.837 123.568 122.820 -0.149 0.000 1.884 288 A HA -0.292 4.029 4.320 0.001 0.000 0.219 288 A C 2.222 179.754 177.584 -0.087 0.000 1.197 288 A CA 2.223 54.199 52.037 -0.102 0.000 0.637 288 A CB -0.837 18.112 19.000 -0.086 0.000 0.827 288 A HN 0.500 nan 8.150 nan 0.000 0.450 289 E N -0.851 119.298 120.200 -0.084 0.000 2.110 289 E HA -0.196 4.155 4.350 0.001 0.000 0.193 289 E C 2.239 178.795 176.600 -0.073 0.000 0.988 289 E CA 1.100 57.459 56.400 -0.067 0.000 0.804 289 E CB -0.164 29.503 29.700 -0.055 0.000 0.745 289 E HN 0.581 nan 8.360 nan 0.000 0.458 290 Q N 0.302 120.048 119.800 -0.089 0.000 2.167 290 Q HA -0.081 4.259 4.340 0.001 0.000 0.202 290 Q C 2.398 178.325 176.000 -0.122 0.000 0.970 290 Q CA 0.718 56.456 55.803 -0.108 0.000 0.855 290 Q CB -0.167 28.504 28.738 -0.113 0.000 0.911 290 Q HN 0.205 nan 8.270 nan 0.000 0.438 291 V N 1.180 121.031 119.914 -0.105 0.000 2.358 291 V HA -0.235 3.886 4.120 0.001 0.000 0.246 291 V C 2.562 178.608 176.094 -0.080 0.000 1.047 291 V CA 1.896 64.139 62.300 -0.095 0.000 1.035 291 V CB -0.531 31.243 31.823 -0.083 0.000 0.658 291 V HN 0.322 nan 8.190 nan 0.000 0.452 292 R N 0.292 120.750 120.500 -0.070 0.000 2.073 292 R HA -0.178 4.163 4.340 0.001 0.000 0.234 292 R C 1.714 177.979 176.300 -0.057 0.000 1.134 292 R CA 2.063 58.129 56.100 -0.057 0.000 0.952 292 R CB -0.405 29.866 30.300 -0.049 0.000 0.850 292 R HN 0.426 nan 8.270 nan 0.000 0.433 293 D N -0.833 119.528 120.400 -0.065 0.000 2.392 293 D HA 0.033 4.674 4.640 0.001 0.000 0.228 293 D C 0.968 177.223 176.300 -0.075 0.000 1.003 293 D CA 1.243 55.205 54.000 -0.062 0.000 0.917 293 D CB 0.234 40.997 40.800 -0.061 0.000 0.890 293 D HN 0.641 nan 8.370 nan 0.000 0.532 294 G N -0.362 108.387 108.800 -0.085 0.000 2.194 294 G HA2 -0.255 3.705 3.960 0.001 0.000 0.236 294 G HA3 -0.255 3.705 3.960 0.001 0.000 0.236 294 G C 0.488 175.314 174.900 -0.124 0.000 0.987 294 G CA -0.150 44.899 45.100 -0.085 0.000 0.635 294 G HN 0.176 nan 8.290 nan 0.000 0.520 295 K N 0.275 120.559 120.400 -0.194 0.000 2.102 295 K HA 0.679 5.000 4.320 0.001 0.000 0.244 295 K C 1.475 177.944 176.600 -0.218 0.000 1.021 295 K CA -0.616 55.480 56.287 -0.318 0.000 0.913 295 K CB 0.413 32.506 32.500 -0.677 0.000 1.062 295 K HN 0.775 nan 8.250 nan 0.000 0.485 296 L N -0.034 121.077 121.223 -0.187 0.000 3.472 296 L HA -0.250 4.091 4.340 0.001 0.000 0.485 296 L C 0.850 177.674 176.870 -0.077 0.000 1.312 296 L CA 0.464 55.243 54.840 -0.102 0.000 0.869 296 L CB -1.719 40.277 42.059 -0.104 0.000 1.687 296 L HN 0.815 nan 8.230 nan 0.000 0.853 297 A N -0.315 122.466 122.820 -0.064 0.000 2.209 297 A HA 0.240 4.560 4.320 0.001 0.000 0.212 297 A C 1.956 179.516 177.584 -0.040 0.000 1.158 297 A CA 1.338 53.344 52.037 -0.051 0.000 0.742 297 A CB -0.158 18.817 19.000 -0.042 0.000 0.790 297 A HN 0.706 nan 8.150 nan 0.000 0.472 298 G N -0.674 108.104 108.800 -0.038 0.000 2.920 298 G HA2 0.283 4.243 3.960 0.001 0.000 0.208 298 G HA3 0.283 4.243 3.960 0.001 0.000 0.208 298 G C 0.445 175.325 174.900 -0.034 0.000 1.159 298 G CA -0.006 45.075 45.100 -0.032 0.000 0.784 298 G HN 0.434 nan 8.290 nan 0.000 0.535 299 I N 1.487 122.033 120.570 -0.041 0.000 2.336 299 I HA 0.156 4.327 4.170 0.001 0.000 0.292 299 I C 1.321 177.415 176.117 -0.039 0.000 0.991 299 I CA -0.398 60.877 61.300 -0.042 0.000 1.227 299 I CB 2.112 40.081 38.000 -0.052 0.000 1.366 299 I HN 0.113 nan 8.210 nan 0.000 0.466 300 S N 3.698 119.379 115.700 -0.033 0.000 2.502 300 S HA 0.202 4.673 4.470 0.001 0.000 0.215 300 S C 0.358 174.940 174.600 -0.030 0.000 1.009 300 S CA -0.132 58.050 58.200 -0.030 0.000 0.908 300 S CB 0.079 63.265 63.200 -0.024 0.000 0.801 300 S HN 0.720 nan 8.310 nan 0.000 0.505 301 N N -0.500 118.181 118.700 -0.032 0.000 2.815 301 N HA 0.490 5.230 4.740 0.001 0.000 0.253 301 N C -2.239 173.250 175.510 -0.034 0.000 1.202 301 N CA -0.514 52.517 53.050 -0.031 0.000 0.925 301 N CB 1.375 39.848 38.487 -0.024 0.000 1.622 301 N HN 0.238 nan 8.380 nan 0.000 0.497 302 I N 0.984 121.532 120.570 -0.037 0.000 2.533 302 I HA 0.468 4.638 4.170 0.001 0.000 0.290 302 I C -0.696 175.403 176.117 -0.030 0.000 1.056 302 I CA -0.591 60.685 61.300 -0.039 0.000 1.057 302 I CB 2.171 40.135 38.000 -0.060 0.000 1.240 302 I HN 0.450 nan 8.210 nan 0.000 0.423 303 E N 4.253 124.440 120.200 -0.021 0.000 2.291 303 E HA 0.187 4.537 4.350 0.001 0.000 0.276 303 E C -1.777 174.819 176.600 -0.007 0.000 0.896 303 E CA -0.691 55.700 56.400 -0.014 0.000 0.774 303 E CB 2.027 31.720 29.700 -0.012 0.000 1.227 303 E HN 0.523 nan 8.360 nan 0.000 0.413 304 D N 3.516 123.913 120.400 -0.005 0.000 2.365 304 D HA 0.080 4.721 4.640 0.001 0.000 0.237 304 D C -0.194 176.107 176.300 0.001 0.000 1.190 304 D CA 0.228 54.229 54.000 0.002 0.000 0.867 304 D CB 1.007 41.811 40.800 0.007 0.000 1.050 304 D HN 0.430 nan 8.370 nan 0.000 0.491 305 Q N 1.754 121.554 119.800 0.001 0.000 2.201 305 Q HA 0.166 4.506 4.340 0.001 0.000 0.217 305 Q C 0.014 176.015 176.000 0.002 0.000 0.860 305 Q CA -0.315 55.489 55.803 0.001 0.000 0.984 305 Q CB 0.578 29.315 28.738 -0.000 0.000 1.095 305 Q HN 0.306 nan 8.270 nan 0.000 0.477 306 S N 1.279 116.981 115.700 0.003 0.000 2.579 306 S HA 0.333 4.804 4.470 0.001 0.000 0.275 306 S C 0.230 174.835 174.600 0.008 0.000 1.345 306 S CA -0.240 57.963 58.200 0.005 0.000 1.031 306 S CB 0.987 64.194 63.200 0.012 0.000 0.892 306 S HN 0.454 nan 8.310 nan 0.000 0.529 307 S N 0.507 116.214 115.700 0.010 0.000 2.636 307 S HA 0.359 4.829 4.470 0.001 0.000 0.268 307 S C -0.183 174.426 174.600 0.015 0.000 1.159 307 S CA -0.822 57.384 58.200 0.011 0.000 0.815 307 S CB 0.679 63.884 63.200 0.009 0.000 1.130 307 S HN 0.391 nan 8.310 nan 0.000 0.471 308 D N 1.062 121.472 120.400 0.016 0.000 2.182 308 D HA -0.103 4.537 4.640 0.001 0.000 0.201 308 D C 1.982 178.296 176.300 0.024 0.000 0.986 308 D CA 1.801 55.814 54.000 0.023 0.000 0.847 308 D CB -0.195 40.619 40.800 0.024 0.000 0.942 308 D HN 0.702 nan 8.370 nan 0.000 0.467 309 R N 0.390 120.901 120.500 0.019 0.000 2.156 309 R HA 0.036 4.376 4.340 0.001 0.000 0.207 309 R C 1.927 178.237 176.300 0.017 0.000 1.040 309 R CA 0.808 56.918 56.100 0.018 0.000 1.013 309 R CB -0.241 30.068 30.300 0.015 0.000 0.931 309 R HN 0.209 nan 8.270 nan 0.000 0.465 310 V N -2.273 117.650 119.914 0.015 0.000 3.621 310 V HA 0.441 4.561 4.120 0.001 0.000 0.285 310 V C 0.974 177.076 176.094 0.013 0.000 1.346 310 V CA 0.063 62.370 62.300 0.012 0.000 1.104 310 V CB -0.320 31.508 31.823 0.008 0.000 0.913 310 V HN 0.586 nan 8.190 nan 0.000 0.432 311 G N 1.249 110.061 108.800 0.019 0.000 2.575 311 G HA2 -0.277 3.684 3.960 0.001 0.000 0.267 311 G HA3 -0.277 3.684 3.960 0.001 0.000 0.267 311 G C -0.440 174.467 174.900 0.012 0.000 1.264 311 G CA 0.200 45.315 45.100 0.025 0.000 0.935 311 G HN 1.076 nan 8.290 nan 0.000 0.568 312 L N 1.033 122.257 121.223 0.002 0.000 2.499 312 L HA 0.601 4.941 4.340 0.001 0.000 0.273 312 L C 0.931 177.772 176.870 -0.049 0.000 1.195 312 L CA 1.244 56.052 54.840 -0.054 0.000 0.882 312 L CB 0.469 42.433 42.059 -0.158 0.000 1.133 312 L HN 0.817 nan 8.230 nan 0.000 0.483 313 R N 6.150 126.626 120.500 -0.040 0.000 3.101 313 R HA 0.362 4.702 4.340 0.001 0.000 0.242 313 R C -1.713 174.582 176.300 -0.008 0.000 1.831 313 R CA -0.399 55.689 56.100 -0.020 0.000 1.321 313 R CB 0.232 30.527 30.300 -0.008 0.000 1.512 313 R HN 0.724 nan 8.270 nan 0.000 0.568 314 I N 3.908 124.479 120.570 0.002 0.000 2.304 314 I HA 0.260 4.431 4.170 0.001 0.000 0.291 314 I C -0.117 176.016 176.117 0.028 0.000 1.018 314 I CA -0.896 60.422 61.300 0.030 0.000 1.260 314 I CB 1.859 39.917 38.000 0.096 0.000 1.390 314 I HN 0.117 nan 8.210 nan 0.000 0.475 315 V N 8.186 128.107 119.914 0.012 0.000 2.347 315 V HA 0.397 4.518 4.120 0.001 0.000 0.280 315 V C 0.084 176.176 176.094 -0.003 0.000 1.021 315 V CA -0.365 61.938 62.300 0.004 0.000 0.847 315 V CB 1.386 33.208 31.823 -0.001 0.000 0.990 315 V HN 0.480 nan 8.190 nan 0.000 0.444 316 I N 4.282 124.850 120.570 -0.003 0.000 2.405 316 I HA 0.380 4.550 4.170 0.001 0.000 0.280 316 I C -0.056 176.051 176.117 -0.017 0.000 1.027 316 I CA -0.595 60.696 61.300 -0.015 0.000 1.161 316 I CB 1.522 39.513 38.000 -0.015 0.000 1.300 316 I HN 0.522 nan 8.210 nan 0.000 0.463 317 E N 6.431 126.619 120.200 -0.020 0.000 2.360 317 E HA 0.364 4.715 4.350 0.001 0.000 0.269 317 E C -0.283 176.303 176.600 -0.023 0.000 1.022 317 E CA -0.076 56.312 56.400 -0.019 0.000 0.887 317 E CB 0.978 30.667 29.700 -0.018 0.000 0.990 317 E HN 0.523 nan 8.360 nan 0.000 0.426 318 I N -1.648 118.909 120.570 -0.021 0.000 2.750 318 I HA 0.512 4.683 4.170 0.001 0.000 0.308 318 I C -0.362 175.743 176.117 -0.020 0.000 1.016 318 I CA -1.340 59.946 61.300 -0.023 0.000 1.098 318 I CB 1.643 39.629 38.000 -0.024 0.000 1.279 318 I HN 0.135 nan 8.210 nan 0.000 0.454 319 K N 2.259 122.646 120.400 -0.021 0.000 2.295 319 K HA 0.173 4.494 4.320 0.001 0.000 0.270 319 K C 0.861 177.452 176.600 -0.015 0.000 1.011 319 K CA -0.304 55.972 56.287 -0.018 0.000 0.953 319 K CB 0.960 33.449 32.500 -0.019 0.000 0.956 319 K HN 0.564 nan 8.250 nan 0.000 0.477 320 R N 1.480 121.973 120.500 -0.013 0.000 2.200 320 R HA -0.192 4.148 4.340 0.001 0.000 0.234 320 R C 0.360 176.654 176.300 -0.011 0.000 1.127 320 R CA 1.691 57.785 56.100 -0.011 0.000 0.989 320 R CB 0.111 30.405 30.300 -0.010 0.000 0.869 320 R HN 0.605 nan 8.270 nan 0.000 0.459 321 D N -0.023 120.370 120.400 -0.012 0.000 2.323 321 D HA 0.062 4.703 4.640 0.001 0.000 0.209 321 D C 0.185 176.478 176.300 -0.011 0.000 0.973 321 D CA 0.664 54.657 54.000 -0.011 0.000 0.874 321 D CB 0.239 41.032 40.800 -0.011 0.000 0.930 321 D HN 0.307 nan 8.370 nan 0.000 0.521 322 A N 0.416 123.228 122.820 -0.014 0.000 2.286 322 A HA 0.459 4.780 4.320 0.001 0.000 0.286 322 A C -0.005 177.570 177.584 -0.014 0.000 1.097 322 A CA -0.413 51.615 52.037 -0.015 0.000 0.821 322 A CB 1.000 19.988 19.000 -0.019 0.000 1.076 322 A HN -0.053 nan 8.150 nan 0.000 0.490 323 V N 2.062 121.967 119.914 -0.015 0.000 2.370 323 V HA 0.395 4.515 4.120 0.001 0.000 0.279 323 V C 1.455 177.537 176.094 -0.020 0.000 1.029 323 V CA 0.198 62.490 62.300 -0.014 0.000 0.870 323 V CB 0.531 32.348 31.823 -0.010 0.000 0.984 323 V HN 1.189 nan 8.190 nan 0.000 0.451 324 A N 4.678 127.486 122.820 -0.020 0.000 1.884 324 A HA -0.249 4.071 4.320 0.001 0.000 0.219 324 A C 2.120 179.680 177.584 -0.039 0.000 1.197 324 A CA 2.513 54.533 52.037 -0.027 0.000 0.637 324 A CB -0.469 18.519 19.000 -0.020 0.000 0.827 324 A HN 0.828 nan 8.150 nan 0.000 0.450 325 K N -0.432 119.950 120.400 -0.029 0.000 2.103 325 K HA -0.074 4.247 4.320 0.001 0.000 0.207 325 K C 1.668 178.241 176.600 -0.046 0.000 1.048 325 K CA 1.794 58.062 56.287 -0.032 0.000 0.930 325 K CB -0.577 31.917 32.500 -0.010 0.000 0.716 325 K HN 0.237 nan 8.250 nan 0.000 0.444 326 V N -0.198 119.697 119.914 -0.033 0.000 2.358 326 V HA -0.184 3.937 4.120 0.001 0.000 0.246 326 V C 2.201 178.267 176.094 -0.047 0.000 1.047 326 V CA 1.555 63.838 62.300 -0.029 0.000 1.035 326 V CB -0.246 31.568 31.823 -0.014 0.000 0.658 326 V HN 0.117 nan 8.190 nan 0.000 0.452 327 V N -0.008 119.874 119.914 -0.054 0.000 2.358 327 V HA -0.234 3.886 4.120 0.001 0.000 0.246 327 V C 2.209 178.233 176.094 -0.116 0.000 1.047 327 V CA 1.990 64.253 62.300 -0.061 0.000 1.035 327 V CB -0.527 31.266 31.823 -0.049 0.000 0.658 327 V HN 0.435 nan 8.190 nan 0.000 0.452 328 I N 0.733 121.201 120.570 -0.170 0.000 2.208 328 I HA -0.255 3.916 4.170 0.001 0.000 0.245 328 I C 2.367 178.134 176.117 -0.583 0.000 1.097 328 I CA 1.579 62.667 61.300 -0.353 0.000 1.363 328 I CB -0.548 37.259 38.000 -0.322 0.000 1.051 328 I HN 0.362 nan 8.210 nan 0.000 0.413 329 N N 0.977 119.474 118.700 -0.338 0.000 2.188 329 N HA -0.142 4.599 4.740 0.001 0.000 0.184 329 N C 1.530 176.994 175.510 -0.077 0.000 1.018 329 N CA 1.109 54.042 53.050 -0.195 0.000 0.858 329 N CB -0.596 37.884 38.487 -0.013 0.000 0.989 329 N HN 0.377 nan 8.380 nan 0.000 0.426 330 N N 0.974 119.649 118.700 -0.041 0.000 2.244 330 N HA -0.019 4.722 4.740 0.001 0.000 0.183 330 N C 1.862 177.436 175.510 0.106 0.000 1.016 330 N CA 0.332 53.431 53.050 0.082 0.000 0.866 330 N CB -0.339 38.211 38.487 0.106 0.000 0.980 330 N HN 0.269 nan 8.380 nan 0.000 0.430 331 L N -0.164 121.055 121.223 -0.007 0.000 2.083 331 L HA -0.175 4.166 4.340 0.001 0.000 0.209 331 L C 1.916 178.871 176.870 0.141 0.000 1.083 331 L CA 1.012 55.878 54.840 0.044 0.000 0.752 331 L CB -0.420 41.632 42.059 -0.012 0.000 0.899 331 L HN 0.124 nan 8.230 nan 0.000 0.433 332 Y N 0.042 120.381 120.300 0.065 0.000 2.224 332 Y HA -0.259 4.291 4.550 0.000 0.000 0.289 332 Y C 2.607 178.506 175.900 -0.002 0.000 1.146 332 Y CA 1.060 59.181 58.100 0.036 0.000 1.182 332 Y CB -0.652 37.817 38.460 0.015 0.000 0.983 332 Y HN 0.161 nan 8.280 nan 0.000 0.524 333 K N -0.961 119.494 120.400 0.092 0.000 2.062 333 K HA -0.119 4.202 4.320 0.001 0.000 0.205 333 K C 1.307 177.776 176.600 -0.217 0.000 1.051 333 K CA 1.384 57.593 56.287 -0.130 0.000 0.941 333 K CB -0.091 32.209 32.500 -0.334 0.000 0.719 333 K HN 0.325 nan 8.250 nan 0.000 0.440 334 H N -0.376 118.734 119.070 0.067 0.000 2.586 334 H HA 0.115 4.672 4.556 0.002 0.000 0.273 334 H C 0.265 175.624 175.328 0.051 0.000 0.997 334 H CA 0.805 56.878 56.048 0.041 0.000 1.177 334 H CB 0.809 30.578 29.762 0.011 0.000 1.471 334 H HN 0.331 nan 8.280 nan 0.000 0.538 335 T N -3.066 111.598 114.554 0.184 0.000 2.804 335 T HA 0.210 4.561 4.350 0.001 0.000 0.290 335 T C 0.631 175.476 174.700 0.240 0.000 1.099 335 T CA -0.848 61.377 62.100 0.208 0.000 1.011 335 T CB 2.230 71.244 68.868 0.243 0.000 1.291 335 T HN -0.018 nan 8.240 nan 0.000 0.523 336 Q N 0.001 119.984 119.800 0.305 0.000 2.373 336 Q HA 0.135 4.476 4.340 0.001 0.000 0.206 336 Q C 1.492 177.560 176.000 0.113 0.000 0.942 336 Q CA -0.153 55.762 55.803 0.186 0.000 0.953 336 Q CB -0.248 28.578 28.738 0.146 0.000 1.022 336 Q HN 0.544 nan 8.270 nan 0.000 0.502 337 L N 0.670 122.035 121.223 0.237 0.000 2.129 337 L HA -0.171 4.170 4.340 0.001 0.000 0.212 337 L C 0.757 177.697 176.870 0.116 0.000 1.087 337 L CA 1.829 56.739 54.840 0.118 0.000 0.757 337 L CB -0.019 42.241 42.059 0.335 0.000 0.896 337 L HN 0.148 nan 8.230 nan 0.000 0.434 338 Q N -0.288 119.593 119.800 0.135 0.000 2.331 338 Q HA 0.494 4.835 4.340 0.001 0.000 0.267 338 Q C -1.110 174.891 176.000 0.001 0.000 1.006 338 Q CA -0.280 55.510 55.803 -0.021 0.000 0.818 338 Q CB 1.363 30.037 28.738 -0.107 0.000 1.276 338 Q HN 0.322 nan 8.270 nan 0.000 0.450 339 T N -0.243 114.296 114.554 -0.025 0.000 2.894 339 T HA 0.444 4.795 4.350 0.001 0.000 0.309 339 T C -0.793 173.908 174.700 0.001 0.000 1.208 339 T CA -0.763 61.333 62.100 -0.006 0.000 1.016 339 T CB 1.730 70.597 68.868 -0.003 0.000 1.192 339 T HN 0.365 nan 8.240 nan 0.000 0.491 340 S N 1.119 116.826 115.700 0.011 0.000 2.554 340 S HA 0.591 5.061 4.470 0.001 0.000 0.278 340 S C -0.915 173.729 174.600 0.074 0.000 1.242 340 S CA -0.777 57.447 58.200 0.040 0.000 1.051 340 S CB -0.061 63.147 63.200 0.013 0.000 0.986 340 S HN 0.612 nan 8.310 nan 0.000 0.502 341 F N 4.329 124.279 119.950 -0.000 0.000 2.334 341 F HA 0.560 5.087 4.527 -0.000 0.000 0.367 341 F C 0.673 176.495 175.800 0.037 0.000 1.115 341 F CA -0.782 57.238 58.000 0.033 0.000 1.116 341 F CB 0.349 39.408 39.000 0.099 0.000 1.230 341 F HN 0.628 nan 8.300 nan 0.000 0.484 342 G N 5.934 114.551 108.800 -0.304 0.000 2.621 342 G HA2 0.456 4.417 3.960 0.001 0.000 0.306 342 G HA3 0.456 4.417 3.960 0.001 0.000 0.306 342 G C -0.147 174.626 174.900 -0.211 0.000 0.893 342 G CA -0.256 44.744 45.100 -0.167 0.000 1.486 342 G HN 0.960 nan 8.290 nan 0.000 0.477 343 A N 2.818 125.667 122.820 0.049 0.000 2.477 343 A HA 0.503 4.824 4.320 0.001 0.000 0.246 343 A C 0.422 178.054 177.584 0.080 0.000 1.078 343 A CA -0.316 51.834 52.037 0.189 0.000 0.770 343 A CB 0.414 19.618 19.000 0.340 0.000 1.011 343 A HN 0.642 nan 8.150 nan 0.000 0.494 344 N N 2.123 120.874 118.700 0.086 0.000 2.621 344 N HA 0.230 4.970 4.740 0.001 0.000 0.271 344 N C -1.043 174.520 175.510 0.089 0.000 1.181 344 N CA -0.336 52.749 53.050 0.058 0.000 0.805 344 N CB 0.700 39.193 38.487 0.011 0.000 1.351 344 N HN 0.442 nan 8.380 nan 0.000 0.539 345 M N 3.645 123.307 119.600 0.103 0.000 3.396 345 M HA 0.266 4.746 4.480 0.001 0.000 0.255 345 M C -0.585 175.766 176.300 0.086 0.000 1.398 345 M CA -0.652 54.720 55.300 0.120 0.000 1.554 345 M CB -0.821 31.865 32.600 0.144 0.000 1.070 345 M HN 0.378 nan 8.290 nan 0.000 0.587 346 L N 2.294 123.558 121.223 0.069 0.000 2.305 346 L HA 0.891 5.231 4.340 0.001 0.000 0.284 346 L C -0.767 176.125 176.870 0.035 0.000 1.013 346 L CA 0.015 54.883 54.840 0.046 0.000 0.819 346 L CB 1.259 43.337 42.059 0.033 0.000 1.227 346 L HN 0.601 nan 8.230 nan 0.000 0.417 347 A N 5.072 127.905 122.820 0.022 0.000 2.594 347 A HA 0.725 5.045 4.320 0.001 0.000 0.291 347 A C -1.151 176.416 177.584 -0.029 0.000 1.105 347 A CA -0.662 51.376 52.037 0.001 0.000 0.694 347 A CB 0.964 19.968 19.000 0.006 0.000 1.291 347 A HN 0.611 nan 8.150 nan 0.000 0.410 348 I N 1.038 121.577 120.570 -0.051 0.000 2.395 348 I HA 0.413 4.583 4.170 0.001 0.000 0.289 348 I C -0.809 175.229 176.117 -0.132 0.000 1.023 348 I CA -0.464 60.791 61.300 -0.076 0.000 1.350 348 I CB 1.450 39.409 38.000 -0.068 0.000 1.409 348 I HN 0.255 nan 8.210 nan 0.000 0.507 349 V N 5.405 125.221 119.914 -0.163 0.000 2.443 349 V HA 0.207 4.327 4.120 0.001 0.000 0.293 349 V C -0.306 175.658 176.094 -0.215 0.000 1.021 349 V CA -0.662 61.467 62.300 -0.284 0.000 0.848 349 V CB 1.355 32.925 31.823 -0.422 0.000 0.998 349 V HN 0.812 nan 8.190 nan 0.000 0.424 350 D N 4.433 124.713 120.400 -0.200 0.000 2.701 350 D HA -0.214 4.426 4.640 0.001 0.000 0.235 350 D C 1.350 177.593 176.300 -0.095 0.000 1.155 350 D CA 1.714 55.635 54.000 -0.132 0.000 0.649 350 D CB -0.901 39.830 40.800 -0.115 0.000 1.050 350 D HN 1.434 nan 8.370 nan 0.000 0.425 351 G N -2.363 106.381 108.800 -0.092 0.000 2.176 351 G HA2 -0.300 3.661 3.960 0.001 0.000 0.253 351 G HA3 -0.300 3.661 3.960 0.001 0.000 0.253 351 G C 0.311 175.179 174.900 -0.053 0.000 0.979 351 G CA 0.275 45.336 45.100 -0.064 0.000 0.641 351 G HN 0.598 nan 8.290 nan 0.000 0.530 352 V N 1.925 121.802 119.914 -0.062 0.000 2.495 352 V HA 0.544 4.664 4.120 0.001 0.000 0.298 352 V C -2.094 173.973 176.094 -0.045 0.000 1.031 352 V CA -1.901 60.373 62.300 -0.045 0.000 0.871 352 V CB 2.110 33.910 31.823 -0.038 0.000 0.988 352 V HN 0.076 nan 8.190 nan 0.000 0.432 353 P HA 0.298 nan 4.420 nan 0.000 0.267 353 P C -0.727 176.567 177.300 -0.010 0.000 1.205 353 P CA -0.116 62.972 63.100 -0.020 0.000 0.765 353 P CB 0.448 32.142 31.700 -0.009 0.000 0.828 354 R N 1.643 122.141 120.500 -0.003 0.000 2.673 354 R HA 0.480 4.820 4.340 0.001 0.000 0.281 354 R C -0.647 175.675 176.300 0.037 0.000 0.991 354 R CA -0.572 55.539 56.100 0.018 0.000 0.896 354 R CB 1.268 31.581 30.300 0.023 0.000 1.201 354 R HN 0.263 nan 8.270 nan 0.000 0.457 355 T N 3.366 117.947 114.554 0.045 0.000 2.744 355 T HA 0.522 4.873 4.350 0.001 0.000 0.291 355 T C 0.252 174.995 174.700 0.072 0.000 0.957 355 T CA -0.362 61.771 62.100 0.054 0.000 1.002 355 T CB 0.591 69.487 68.868 0.045 0.000 0.919 355 T HN 0.185 nan 8.240 nan 0.000 0.468 356 L N 3.142 124.417 121.223 0.086 0.000 2.342 356 L HA 0.598 4.938 4.340 0.001 0.000 0.271 356 L C 0.621 177.545 176.870 0.090 0.000 1.008 356 L CA -1.210 53.690 54.840 0.101 0.000 0.818 356 L CB 1.964 44.101 42.059 0.129 0.000 1.296 356 L HN 0.439 nan 8.230 nan 0.000 0.427 357 R N 0.622 121.163 120.500 0.070 0.000 2.546 357 R HA 0.200 4.540 4.340 0.001 0.000 0.266 357 R C 0.787 177.104 176.300 0.029 0.000 1.086 357 R CA -0.795 55.343 56.100 0.062 0.000 1.160 357 R CB 0.708 31.029 30.300 0.035 0.000 1.138 357 R HN 0.414 nan 8.270 nan 0.000 0.567 358 L N 1.857 123.083 121.223 0.004 0.000 2.083 358 L HA -0.189 4.152 4.340 0.001 0.000 0.209 358 L C 1.824 178.613 176.870 -0.134 0.000 1.083 358 L CA 1.971 56.731 54.840 -0.132 0.000 0.752 358 L CB -0.621 41.218 42.059 -0.366 0.000 0.899 358 L HN 0.764 nan 8.230 nan 0.000 0.433 359 D N -1.396 118.943 120.400 -0.101 0.000 2.144 359 D HA -0.280 4.360 4.640 0.001 0.000 0.199 359 D C 1.781 178.019 176.300 -0.104 0.000 0.984 359 D CA 1.510 55.455 54.000 -0.091 0.000 0.834 359 D CB -0.438 40.322 40.800 -0.067 0.000 0.955 359 D HN 0.568 nan 8.370 nan 0.000 0.465 360 Q N 0.120 119.856 119.800 -0.106 0.000 2.083 360 Q HA 0.032 4.373 4.340 0.001 0.000 0.198 360 Q C 2.719 178.654 176.000 -0.108 0.000 0.969 360 Q CA 0.609 56.290 55.803 -0.203 0.000 0.838 360 Q CB -0.033 28.654 28.738 -0.085 0.000 0.900 360 Q HN 0.305 nan 8.270 nan 0.000 0.436 361 L N 0.287 121.515 121.223 0.008 0.000 2.046 361 L HA -0.205 4.135 4.340 0.001 0.000 0.208 361 L C 2.239 179.139 176.870 0.050 0.000 1.077 361 L CA 0.729 55.608 54.840 0.065 0.000 0.747 361 L CB -0.322 41.735 42.059 -0.002 0.000 0.896 361 L HN 0.288 nan 8.230 nan 0.000 0.432 362 I N -0.506 120.049 120.570 -0.024 0.000 2.233 362 I HA -0.197 3.973 4.170 0.001 0.000 0.243 362 I C 2.726 178.885 176.117 0.070 0.000 1.093 362 I CA 1.361 62.670 61.300 0.015 0.000 1.380 362 I CB -0.981 36.997 38.000 -0.037 0.000 1.067 362 I HN 0.293 nan 8.210 nan 0.000 0.413 363 R N -0.162 120.323 120.500 -0.025 0.000 2.081 363 R HA -0.194 4.146 4.340 0.001 0.000 0.235 363 R C 2.295 178.576 176.300 -0.031 0.000 1.131 363 R CA 1.308 57.372 56.100 -0.061 0.000 0.960 363 R CB -0.561 29.642 30.300 -0.161 0.000 0.856 363 R HN 0.317 nan 8.270 nan 0.000 0.436 364 Y N -0.444 119.889 120.300 0.054 0.000 2.224 364 Y HA -0.245 4.305 4.550 0.001 0.000 0.289 364 Y C 2.206 178.140 175.900 0.057 0.000 1.146 364 Y CA 0.849 58.972 58.100 0.039 0.000 1.182 364 Y CB -0.835 37.641 38.460 0.026 0.000 0.983 364 Y HN 0.125 nan 8.280 nan 0.000 0.524 365 Y N -0.098 120.285 120.300 0.137 0.000 2.145 365 Y HA -0.205 4.345 4.550 0.001 0.000 0.286 365 Y C 2.347 178.298 175.900 0.085 0.000 1.145 365 Y CA 1.418 59.571 58.100 0.087 0.000 1.148 365 Y CB -0.691 37.780 38.460 0.017 0.000 0.981 365 Y HN -0.116 nan 8.280 nan 0.000 0.507 366 V N 0.763 120.657 119.914 -0.033 0.000 2.332 366 V HA -0.320 3.801 4.120 0.001 0.000 0.248 366 V C 2.069 178.094 176.094 -0.115 0.000 1.055 366 V CA 2.232 64.469 62.300 -0.106 0.000 1.038 366 V CB -0.712 31.126 31.823 0.024 0.000 0.651 366 V HN 0.403 nan 8.190 nan 0.000 0.450 367 D N -0.952 119.436 120.400 -0.021 0.000 2.123 367 D HA -0.212 4.429 4.640 0.001 0.000 0.196 367 D C 2.065 178.359 176.300 -0.010 0.000 0.992 367 D CA 1.849 55.854 54.000 0.009 0.000 0.833 367 D CB -0.372 40.484 40.800 0.093 0.000 0.954 367 D HN 0.609 nan 8.370 nan 0.000 0.455 368 H N 1.054 120.037 119.070 -0.145 0.000 2.319 368 H HA -0.087 4.469 4.556 0.001 0.000 0.299 368 H C 1.939 177.123 175.328 -0.241 0.000 1.092 368 H CA 1.750 57.686 56.048 -0.187 0.000 1.302 368 H CB 0.028 29.665 29.762 -0.209 0.000 1.373 368 H HN -0.014 nan 8.280 nan 0.000 0.497 369 Q N 0.242 119.770 119.800 -0.454 0.000 2.084 369 Q HA -0.113 4.227 4.340 0.001 0.000 0.202 369 Q C 2.803 178.648 176.000 -0.258 0.000 0.978 369 Q CA 1.347 56.889 55.803 -0.435 0.000 0.844 369 Q CB -0.531 27.962 28.738 -0.409 0.000 0.898 369 Q HN 0.506 nan 8.270 nan 0.000 0.426 370 L N 0.795 121.911 121.223 -0.178 0.000 2.083 370 L HA -0.212 4.128 4.340 0.001 0.000 0.209 370 L C 2.241 179.048 176.870 -0.106 0.000 1.083 370 L CA 1.318 56.090 54.840 -0.114 0.000 0.752 370 L CB -0.454 41.556 42.059 -0.082 0.000 0.899 370 L HN 0.184 nan 8.230 nan 0.000 0.433 371 D N -0.131 120.203 120.400 -0.109 0.000 2.104 371 D HA -0.169 4.472 4.640 0.001 0.000 0.194 371 D C 2.156 178.386 176.300 -0.117 0.000 0.994 371 D CA 1.198 55.150 54.000 -0.081 0.000 0.830 371 D CB 0.052 40.832 40.800 -0.034 0.000 0.959 371 D HN 0.009 nan 8.370 nan 0.000 0.452 372 V N 0.705 120.484 119.914 -0.224 0.000 2.343 372 V HA -0.213 3.907 4.120 0.001 0.000 0.247 372 V C 2.418 178.440 176.094 -0.121 0.000 1.051 372 V CA 1.013 63.184 62.300 -0.215 0.000 1.036 372 V CB -0.327 31.286 31.823 -0.350 0.000 0.654 372 V HN 0.313 nan 8.190 nan 0.000 0.451 373 I N -0.449 120.053 120.570 -0.113 0.000 2.252 373 I HA -0.137 4.033 4.170 0.001 0.000 0.245 373 I C 2.461 178.555 176.117 -0.038 0.000 1.102 373 I CA 1.384 62.646 61.300 -0.064 0.000 1.385 373 I CB -1.086 36.878 38.000 -0.059 0.000 1.064 373 I HN 0.148 nan 8.210 nan 0.000 0.414 374 V N 1.019 120.908 119.914 -0.042 0.000 2.295 374 V HA -0.251 3.869 4.120 0.001 0.000 0.246 374 V C 2.688 178.779 176.094 -0.004 0.000 1.049 374 V CA 1.664 63.950 62.300 -0.023 0.000 1.024 374 V CB -0.648 31.159 31.823 -0.027 0.000 0.648 374 V HN 0.356 nan 8.190 nan 0.000 0.447 375 R N -0.403 120.091 120.500 -0.010 0.000 2.096 375 R HA -0.154 4.187 4.340 0.001 0.000 0.235 375 R C 2.532 178.859 176.300 0.045 0.000 1.127 375 R CA 1.629 57.738 56.100 0.015 0.000 0.968 375 R CB -0.386 29.914 30.300 0.001 0.000 0.861 375 R HN 0.421 nan 8.270 nan 0.000 0.440 376 R N 0.240 120.753 120.500 0.022 0.000 2.092 376 R HA -0.082 4.258 4.340 0.001 0.000 0.231 376 R C 1.569 177.932 176.300 0.105 0.000 1.119 376 R CA 1.766 57.898 56.100 0.053 0.000 0.970 376 R CB -0.094 30.214 30.300 0.013 0.000 0.864 376 R HN 0.117 nan 8.270 nan 0.000 0.440 377 T N 0.037 114.625 114.554 0.057 0.000 2.821 377 T HA -0.069 4.281 4.350 0.001 0.000 0.267 377 T C 1.644 176.375 174.700 0.051 0.000 1.046 377 T CA 1.715 63.843 62.100 0.047 0.000 1.139 377 T CB -0.199 68.679 68.868 0.017 0.000 0.871 377 T HN 0.352 nan 8.240 nan 0.000 0.454 378 T N 1.077 115.664 114.554 0.056 0.000 2.708 378 T HA -0.112 4.239 4.350 0.001 0.000 0.266 378 T C 1.600 176.341 174.700 0.068 0.000 1.037 378 T CA 1.291 63.420 62.100 0.048 0.000 1.146 378 T CB -0.521 68.374 68.868 0.045 0.000 0.865 378 T HN 0.480 nan 8.240 nan 0.000 0.435 379 Y N 2.161 122.457 120.300 -0.007 0.000 2.097 379 Y HA -0.193 4.357 4.550 0.001 0.000 0.282 379 Y C 2.548 178.447 175.900 -0.003 0.000 1.152 379 Y CA 1.464 59.561 58.100 -0.005 0.000 1.136 379 Y CB -0.195 38.264 38.460 -0.002 0.000 0.975 379 Y HN 0.007 nan 8.280 nan 0.000 0.498 380 R N -0.494 120.061 120.500 0.091 0.000 2.096 380 R HA -0.169 4.171 4.340 0.001 0.000 0.235 380 R C 2.148 178.401 176.300 -0.078 0.000 1.127 380 R CA 1.496 57.597 56.100 0.002 0.000 0.968 380 R CB -0.640 29.710 30.300 0.084 0.000 0.861 380 R HN 0.388 nan 8.270 nan 0.000 0.440 381 L N 1.159 122.353 121.223 -0.049 0.000 2.056 381 L HA -0.133 4.207 4.340 0.001 0.000 0.207 381 L C 2.386 179.203 176.870 -0.088 0.000 1.078 381 L CA 1.713 56.523 54.840 -0.051 0.000 0.749 381 L CB -0.450 41.593 42.059 -0.028 0.000 0.901 381 L HN -0.006 nan 8.230 nan 0.000 0.433 382 R N -0.684 119.740 120.500 -0.126 0.000 2.081 382 R HA -0.149 4.191 4.340 0.001 0.000 0.235 382 R C 2.065 178.254 176.300 -0.185 0.000 1.131 382 R CA 1.287 57.300 56.100 -0.145 0.000 0.960 382 R CB -0.045 30.163 30.300 -0.155 0.000 0.856 382 R HN 0.214 nan 8.270 nan 0.000 0.436 383 K N 0.249 120.473 120.400 -0.294 0.000 2.148 383 K HA -0.013 4.307 4.320 0.001 0.000 0.204 383 K C 1.925 178.447 176.600 -0.130 0.000 1.050 383 K CA 1.269 57.400 56.287 -0.261 0.000 0.942 383 K CB -0.334 31.937 32.500 -0.381 0.000 0.724 383 K HN 0.281 nan 8.250 nan 0.000 0.446 384 A N 2.045 124.803 122.820 -0.103 0.000 1.898 384 A HA -0.152 4.169 4.320 0.001 0.000 0.216 384 A C 2.020 179.583 177.584 -0.035 0.000 1.181 384 A CA 1.374 53.380 52.037 -0.052 0.000 0.620 384 A CB -0.378 18.599 19.000 -0.037 0.000 0.819 384 A HN 0.252 nan 8.150 nan 0.000 0.442 385 N N -0.031 118.642 118.700 -0.045 0.000 2.166 385 N HA -0.143 4.598 4.740 0.001 0.000 0.186 385 N C 1.667 177.173 175.510 -0.006 0.000 1.019 385 N CA 1.575 54.608 53.050 -0.027 0.000 0.856 385 N CB -0.305 38.155 38.487 -0.046 0.000 0.993 385 N HN 0.665 nan 8.380 nan 0.000 0.426 386 E N 0.565 120.748 120.200 -0.028 0.000 2.077 386 E HA -0.149 4.201 4.350 0.001 0.000 0.193 386 E C 2.097 178.722 176.600 0.042 0.000 0.989 386 E CA 0.664 57.067 56.400 0.005 0.000 0.800 386 E CB -0.036 29.645 29.700 -0.032 0.000 0.746 386 E HN 0.270 nan 8.360 nan 0.000 0.452 387 R N 0.775 121.279 120.500 0.007 0.000 2.073 387 R HA -0.123 4.217 4.340 0.001 0.000 0.234 387 R C 2.289 178.601 176.300 0.020 0.000 1.134 387 R CA 1.304 57.409 56.100 0.008 0.000 0.952 387 R CB -0.212 30.084 30.300 -0.007 0.000 0.850 387 R HN 0.149 nan 8.270 nan 0.000 0.433 388 A N 0.097 122.932 122.820 0.025 0.000 1.902 388 A HA -0.244 4.077 4.320 0.001 0.000 0.217 388 A C 1.956 179.572 177.584 0.053 0.000 1.181 388 A CA 1.904 53.959 52.037 0.029 0.000 0.623 388 A CB -0.894 18.122 19.000 0.026 0.000 0.818 388 A HN 0.619 nan 8.150 nan 0.000 0.443 389 H N -0.053 119.004 119.070 -0.022 0.000 2.319 389 H HA -0.112 4.444 4.556 0.001 0.000 0.299 389 H C 1.765 177.083 175.328 -0.016 0.000 1.092 389 H CA 2.038 58.075 56.048 -0.019 0.000 1.302 389 H CB -0.120 29.629 29.762 -0.021 0.000 1.373 389 H HN 0.324 nan 8.280 nan 0.000 0.497 390 I N 0.318 120.862 120.570 -0.043 0.000 2.179 390 I HA -0.237 3.934 4.170 0.001 0.000 0.242 390 I C 2.578 178.642 176.117 -0.088 0.000 1.088 390 I CA 1.082 62.324 61.300 -0.096 0.000 1.357 390 I CB -1.269 36.715 38.000 -0.028 0.000 1.051 390 I HN 0.334 nan 8.210 nan 0.000 0.409 391 L N -0.021 121.173 121.223 -0.048 0.000 2.083 391 L HA -0.196 4.144 4.340 0.001 0.000 0.209 391 L C 2.765 179.604 176.870 -0.051 0.000 1.083 391 L CA 1.202 56.019 54.840 -0.039 0.000 0.752 391 L CB -0.514 41.534 42.059 -0.019 0.000 0.899 391 L HN 0.189 nan 8.230 nan 0.000 0.433 392 R N -0.301 120.162 120.500 -0.063 0.000 2.091 392 R HA -0.132 4.209 4.340 0.001 0.000 0.238 392 R C 2.372 178.621 176.300 -0.084 0.000 1.136 392 R CA 1.312 57.375 56.100 -0.062 0.000 0.959 392 R CB -0.753 29.516 30.300 -0.053 0.000 0.856 392 R HN 0.453 nan 8.270 nan 0.000 0.437 393 G N 1.113 109.833 108.800 -0.134 0.000 2.418 393 G HA2 -0.209 3.752 3.960 0.001 0.000 0.217 393 G HA3 -0.209 3.752 3.960 0.001 0.000 0.217 393 G C 1.451 176.306 174.900 -0.074 0.000 1.158 393 G CA 0.395 45.422 45.100 -0.120 0.000 0.771 393 G HN 0.115 nan 8.290 nan 0.000 0.545 394 L N 0.260 121.444 121.223 -0.065 0.000 2.046 394 L HA -0.091 4.250 4.340 0.001 0.000 0.208 394 L C 2.959 179.809 176.870 -0.034 0.000 1.077 394 L CA 0.530 55.344 54.840 -0.043 0.000 0.747 394 L CB -0.582 41.456 42.059 -0.035 0.000 0.896 394 L HN 0.089 nan 8.230 nan 0.000 0.432 395 V N -0.104 119.789 119.914 -0.034 0.000 2.427 395 V HA -0.253 3.867 4.120 0.001 0.000 0.248 395 V C 2.490 178.569 176.094 -0.025 0.000 1.051 395 V CA 1.598 63.883 62.300 -0.025 0.000 1.048 395 V CB -0.464 31.346 31.823 -0.022 0.000 0.666 395 V HN 0.404 nan 8.190 nan 0.000 0.456 396 K N 0.167 120.549 120.400 -0.031 0.000 2.063 396 K HA -0.166 4.154 4.320 0.001 0.000 0.208 396 K C 2.292 178.878 176.600 -0.023 0.000 1.048 396 K CA 1.520 57.791 56.287 -0.027 0.000 0.928 396 K CB -0.385 32.095 32.500 -0.033 0.000 0.713 396 K HN 0.489 nan 8.250 nan 0.000 0.442 397 A N 1.364 124.168 122.820 -0.027 0.000 1.898 397 A HA -0.127 4.193 4.320 0.001 0.000 0.216 397 A C 2.105 179.679 177.584 -0.017 0.000 1.181 397 A CA 1.199 53.223 52.037 -0.022 0.000 0.620 397 A CB -0.626 18.360 19.000 -0.024 0.000 0.819 397 A HN 0.157 nan 8.150 nan 0.000 0.442 398 L N -0.407 120.805 121.223 -0.017 0.000 2.079 398 L HA -0.200 4.141 4.340 0.001 0.000 0.210 398 L C 1.803 178.666 176.870 -0.012 0.000 1.081 398 L CA 1.428 56.260 54.840 -0.014 0.000 0.752 398 L CB -0.719 41.332 42.059 -0.013 0.000 0.896 398 L HN 0.279 nan 8.230 nan 0.000 0.433 399 D N 0.193 120.585 120.400 -0.013 0.000 2.310 399 D HA -0.053 4.587 4.640 0.001 0.000 0.212 399 D C 1.283 177.577 176.300 -0.010 0.000 0.965 399 D CA 1.147 55.141 54.000 -0.011 0.000 0.879 399 D CB 0.177 40.970 40.800 -0.011 0.000 0.921 399 D HN 0.310 nan 8.370 nan 0.000 0.510 400 A N 0.070 122.884 122.820 -0.011 0.000 2.812 400 A HA 0.227 4.547 4.320 0.001 0.000 0.294 400 A C 1.260 178.838 177.584 -0.010 0.000 1.014 400 A CA -0.370 51.661 52.037 -0.010 0.000 1.024 400 A CB -0.046 18.948 19.000 -0.011 0.000 1.162 400 A HN 0.067 nan 8.150 nan 0.000 0.511 401 L N -0.368 120.850 121.223 -0.009 0.000 2.056 401 L HA -0.065 4.275 4.340 0.001 0.000 0.207 401 L C 1.613 178.478 176.870 -0.008 0.000 1.078 401 L CA 2.233 57.068 54.840 -0.009 0.000 0.749 401 L CB -0.287 41.767 42.059 -0.008 0.000 0.901 401 L HN 0.448 nan 8.230 nan 0.000 0.433 402 D N -0.437 119.959 120.400 -0.007 0.000 2.117 402 D HA -0.223 4.417 4.640 0.001 0.000 0.197 402 D C 2.070 178.366 176.300 -0.006 0.000 0.987 402 D CA 1.373 55.370 54.000 -0.006 0.000 0.829 402 D CB 0.108 40.905 40.800 -0.005 0.000 0.961 402 D HN 0.506 nan 8.370 nan 0.000 0.460 403 E N 0.063 120.259 120.200 -0.006 0.000 2.072 403 E HA -0.108 4.242 4.350 0.001 0.000 0.191 403 E C 2.200 178.796 176.600 -0.007 0.000 0.985 403 E CA 0.408 56.804 56.400 -0.006 0.000 0.801 403 E CB 0.263 29.959 29.700 -0.006 0.000 0.750 403 E HN -0.014 nan 8.360 nan 0.000 0.452 404 V N 1.133 121.042 119.914 -0.008 0.000 2.261 404 V HA -0.279 3.842 4.120 0.001 0.000 0.246 404 V C 2.256 178.345 176.094 -0.008 0.000 1.047 404 V CA 1.662 63.956 62.300 -0.009 0.000 1.015 404 V CB -0.355 31.462 31.823 -0.011 0.000 0.642 404 V HN 0.328 nan 8.190 nan 0.000 0.446 405 I N 0.393 120.959 120.570 -0.007 0.000 2.226 405 I HA -0.242 3.928 4.170 0.001 0.000 0.245 405 I C 2.630 178.744 176.117 -0.005 0.000 1.100 405 I CA 1.510 62.806 61.300 -0.006 0.000 1.374 405 I CB -0.578 37.419 38.000 -0.006 0.000 1.057 405 I HN 0.296 nan 8.210 nan 0.000 0.413 406 A N 0.688 123.504 122.820 -0.005 0.000 1.930 406 A HA -0.182 4.138 4.320 0.001 0.000 0.217 406 A C 2.363 179.944 177.584 -0.004 0.000 1.175 406 A CA 1.317 53.352 52.037 -0.004 0.000 0.627 406 A CB -0.757 18.240 19.000 -0.004 0.000 0.815 406 A HN 0.467 nan 8.150 nan 0.000 0.443 407 L N -0.469 120.751 121.223 -0.005 0.000 2.046 407 L HA -0.133 4.207 4.340 0.001 0.000 0.208 407 L C 2.316 179.183 176.870 -0.005 0.000 1.077 407 L CA 1.570 56.407 54.840 -0.005 0.000 0.747 407 L CB -0.237 41.818 42.059 -0.006 0.000 0.896 407 L HN 0.425 nan 8.230 nan 0.000 0.432 408 I N -0.394 120.173 120.570 -0.005 0.000 2.202 408 I HA -0.283 3.888 4.170 0.001 0.000 0.242 408 I C 2.649 178.763 176.117 -0.004 0.000 1.091 408 I CA 1.283 62.580 61.300 -0.005 0.000 1.368 408 I CB -0.309 37.688 38.000 -0.006 0.000 1.058 408 I HN 0.211 nan 8.210 nan 0.000 0.410 409 R N 0.702 121.200 120.500 -0.004 0.000 2.148 409 R HA -0.064 4.276 4.340 0.001 0.000 0.227 409 R C 2.247 178.545 176.300 -0.003 0.000 1.103 409 R CA 1.281 57.379 56.100 -0.003 0.000 0.983 409 R CB -0.329 29.969 30.300 -0.003 0.000 0.874 409 R HN 0.354 nan 8.270 nan 0.000 0.451 410 A N 0.475 123.294 122.820 -0.003 0.000 2.123 410 A HA 0.076 4.397 4.320 0.001 0.000 0.214 410 A C 0.708 178.291 177.584 -0.003 0.000 1.152 410 A CA 0.206 52.241 52.037 -0.003 0.000 0.728 410 A CB 0.254 19.252 19.000 -0.003 0.000 0.814 410 A HN 0.081 nan 8.150 nan 0.000 0.464 411 S N 0.212 115.911 115.700 -0.003 0.000 2.528 411 S HA 0.214 4.684 4.470 0.001 0.000 0.277 411 S C 0.987 175.586 174.600 -0.002 0.000 1.297 411 S CA -0.055 58.144 58.200 -0.003 0.000 1.052 411 S CB 1.440 64.638 63.200 -0.003 0.000 0.917 411 S HN 0.533 nan 8.310 nan 0.000 0.492 412 E N 2.612 122.811 120.200 -0.002 0.000 2.152 412 E HA -0.076 4.275 4.350 0.001 0.000 0.192 412 E C 0.848 177.447 176.600 -0.002 0.000 0.983 412 E CA 1.093 57.492 56.400 -0.002 0.000 0.818 412 E CB 0.166 29.865 29.700 -0.002 0.000 0.758 412 E HN 0.762 nan 8.360 nan 0.000 0.467 413 T N -4.444 110.109 114.554 -0.002 0.000 2.865 413 T HA 0.358 4.709 4.350 0.001 0.000 0.294 413 T C 0.974 175.673 174.700 -0.002 0.000 1.119 413 T CA -0.319 61.780 62.100 -0.002 0.000 1.007 413 T CB 1.243 70.110 68.868 -0.002 0.000 1.225 413 T HN -0.215 nan 8.240 nan 0.000 0.515 414 V N 1.051 120.963 119.914 -0.002 0.000 2.407 414 V HA -0.114 4.007 4.120 0.001 0.000 0.248 414 V C 2.324 178.416 176.094 -0.002 0.000 1.055 414 V CA 2.052 64.351 62.300 -0.002 0.000 1.049 414 V CB -0.747 31.075 31.823 -0.002 0.000 0.662 414 V HN 0.879 nan 8.190 nan 0.000 0.455 415 D N -0.034 120.365 120.400 -0.002 0.000 2.144 415 D HA -0.105 4.535 4.640 0.001 0.000 0.199 415 D C 2.071 178.370 176.300 -0.002 0.000 0.984 415 D CA 1.264 55.263 54.000 -0.001 0.000 0.834 415 D CB -0.104 40.696 40.800 -0.001 0.000 0.955 415 D HN 0.400 nan 8.370 nan 0.000 0.465 416 I N 1.066 121.635 120.570 -0.002 0.000 2.252 416 I HA -0.222 3.948 4.170 0.001 0.000 0.245 416 I C 2.473 178.589 176.117 -0.003 0.000 1.102 416 I CA 0.851 62.150 61.300 -0.002 0.000 1.385 416 I CB -0.147 37.852 38.000 -0.002 0.000 1.064 416 I HN -0.085 nan 8.210 nan 0.000 0.414 417 A N 0.740 123.558 122.820 -0.003 0.000 1.902 417 A HA -0.260 4.061 4.320 0.001 0.000 0.217 417 A C 2.431 180.012 177.584 -0.005 0.000 1.181 417 A CA 1.814 53.848 52.037 -0.004 0.000 0.623 417 A CB -0.656 18.341 19.000 -0.005 0.000 0.818 417 A HN 0.355 nan 8.150 nan 0.000 0.443 418 R N -0.412 120.086 120.500 -0.004 0.000 2.073 418 R HA -0.102 4.239 4.340 0.001 0.000 0.234 418 R C 2.322 178.620 176.300 -0.004 0.000 1.134 418 R CA 1.494 57.591 56.100 -0.004 0.000 0.952 418 R CB -0.439 29.859 30.300 -0.003 0.000 0.850 418 R HN 0.428 nan 8.270 nan 0.000 0.433 419 A N 0.210 123.028 122.820 -0.003 0.000 1.908 419 A HA -0.089 4.232 4.320 0.001 0.000 0.218 419 A C 2.347 179.929 177.584 -0.003 0.000 1.181 419 A CA 1.765 53.801 52.037 -0.002 0.000 0.627 419 A CB -1.215 17.784 19.000 -0.001 0.000 0.818 419 A HN 0.602 nan 8.150 nan 0.000 0.445 420 G N -0.364 108.434 108.800 -0.004 0.000 2.408 420 G HA2 -0.119 3.842 3.960 0.001 0.000 0.217 420 G HA3 -0.119 3.842 3.960 0.001 0.000 0.217 420 G C 1.539 176.435 174.900 -0.006 0.000 1.150 420 G CA 0.985 46.082 45.100 -0.004 0.000 0.776 420 G HN 0.438 nan 8.290 nan 0.000 0.542 421 L N -0.008 121.210 121.223 -0.007 0.000 2.093 421 L HA 0.060 4.400 4.340 0.001 0.000 0.208 421 L C 2.792 179.656 176.870 -0.011 0.000 1.085 421 L CA 0.471 55.305 54.840 -0.010 0.000 0.755 421 L CB -0.287 41.764 42.059 -0.013 0.000 0.904 421 L HN 0.177 nan 8.230 nan 0.000 0.435 422 I N -0.260 120.305 120.570 -0.008 0.000 2.226 422 I HA -0.302 3.868 4.170 0.001 0.000 0.245 422 I C 2.651 178.766 176.117 -0.004 0.000 1.100 422 I CA 1.436 62.733 61.300 -0.006 0.000 1.374 422 I CB -0.195 37.804 38.000 -0.001 0.000 1.057 422 I HN 0.343 nan 8.210 nan 0.000 0.413 423 E N 0.847 121.044 120.200 -0.004 0.000 2.072 423 E HA -0.239 4.111 4.350 0.001 0.000 0.190 423 E C 2.228 178.825 176.600 -0.005 0.000 0.982 423 E CA 0.935 57.334 56.400 -0.003 0.000 0.803 423 E CB 0.061 29.760 29.700 -0.003 0.000 0.755 423 E HN 0.299 nan 8.360 nan 0.000 0.453 424 L N 0.699 121.919 121.223 -0.006 0.000 2.017 424 L HA -0.120 4.221 4.340 0.001 0.000 0.208 424 L C 1.923 178.788 176.870 -0.008 0.000 1.073 424 L CA 1.681 56.517 54.840 -0.007 0.000 0.745 424 L CB -0.130 41.924 42.059 -0.008 0.000 0.894 424 L HN 0.174 nan 8.230 nan 0.000 0.432 425 L N -1.165 120.051 121.223 -0.011 0.000 2.585 425 L HA 0.172 4.513 4.340 0.001 0.000 0.226 425 L C 0.217 177.080 176.870 -0.013 0.000 1.113 425 L CA 0.185 55.016 54.840 -0.014 0.000 0.876 425 L CB -0.274 41.772 42.059 -0.021 0.000 1.072 425 L HN 0.235 nan 8.230 nan 0.000 0.468 426 D N 1.979 122.375 120.400 -0.008 0.000 2.828 426 D HA -0.188 4.452 4.640 0.001 0.000 0.241 426 D C -0.364 175.933 176.300 -0.004 0.000 1.142 426 D CA 0.683 54.681 54.000 -0.003 0.000 0.755 426 D CB -0.799 40.000 40.800 -0.001 0.000 1.014 426 D HN 0.508 nan 8.370 nan 0.000 0.420 427 I N -2.650 117.916 120.570 -0.007 0.000 3.322 427 I HA 0.768 4.939 4.170 0.001 0.000 0.313 427 I C 0.117 176.238 176.117 0.006 0.000 1.129 427 I CA -1.098 60.193 61.300 -0.014 0.000 0.963 427 I CB 1.843 39.815 38.000 -0.046 0.000 1.273 427 I HN -0.063 nan 8.210 nan 0.000 0.473 428 D N 0.438 120.850 120.400 0.020 0.000 2.569 428 D HA 0.222 4.862 4.640 0.001 0.000 0.266 428 D C 0.638 176.956 176.300 0.029 0.000 1.164 428 D CA -0.391 53.637 54.000 0.046 0.000 1.071 428 D CB 1.025 41.889 40.800 0.107 0.000 1.183 428 D HN 0.755 nan 8.370 nan 0.000 0.613 429 E N -0.163 120.057 120.200 0.034 0.000 2.058 429 E HA -0.169 4.182 4.350 0.001 0.000 0.194 429 E C 1.843 178.456 176.600 0.021 0.000 0.997 429 E CA 1.287 57.700 56.400 0.021 0.000 0.801 429 E CB -0.403 29.309 29.700 0.021 0.000 0.746 429 E HN 0.585 nan 8.360 nan 0.000 0.450 430 I N -0.047 120.549 120.570 0.044 0.000 2.315 430 I HA -0.299 3.872 4.170 0.001 0.000 0.248 430 I C 2.129 178.248 176.117 0.005 0.000 1.117 430 I CA 1.268 62.593 61.300 0.041 0.000 1.404 430 I CB -0.058 37.993 38.000 0.085 0.000 1.071 430 I HN 0.262 nan 8.210 nan 0.000 0.419 431 Q N 0.360 120.140 119.800 -0.032 0.000 2.079 431 Q HA -0.173 4.168 4.340 0.001 0.000 0.200 431 Q C 2.341 178.305 176.000 -0.059 0.000 0.974 431 Q CA 1.688 57.428 55.803 -0.105 0.000 0.840 431 Q CB -0.242 28.384 28.738 -0.187 0.000 0.898 431 Q HN 0.642 nan 8.270 nan 0.000 0.430 432 A N 0.699 123.498 122.820 -0.035 0.000 1.902 432 A HA -0.264 4.056 4.320 0.001 0.000 0.217 432 A C 2.004 179.577 177.584 -0.018 0.000 1.181 432 A CA 1.647 53.670 52.037 -0.024 0.000 0.623 432 A CB -0.494 18.497 19.000 -0.014 0.000 0.818 432 A HN 0.282 nan 8.150 nan 0.000 0.443 433 Q N -0.298 119.494 119.800 -0.012 0.000 2.124 433 Q HA -0.040 4.300 4.340 0.001 0.000 0.202 433 Q C 2.041 178.034 176.000 -0.012 0.000 0.977 433 Q CA 1.919 57.717 55.803 -0.008 0.000 0.850 433 Q CB -0.488 28.249 28.738 -0.001 0.000 0.901 433 Q HN 0.585 nan 8.270 nan 0.000 0.429 434 A N -0.026 122.784 122.820 -0.018 0.000 1.972 434 A HA -0.139 4.182 4.320 0.001 0.000 0.219 434 A C 2.020 179.591 177.584 -0.022 0.000 1.169 434 A CA 1.328 53.353 52.037 -0.020 0.000 0.635 434 A CB -0.633 18.350 19.000 -0.029 0.000 0.810 434 A HN 0.481 nan 8.150 nan 0.000 0.446 435 I N -0.446 120.109 120.570 -0.026 0.000 2.202 435 I HA -0.245 3.926 4.170 0.001 0.000 0.242 435 I C 2.255 178.362 176.117 -0.016 0.000 1.091 435 I CA 1.125 62.411 61.300 -0.023 0.000 1.368 435 I CB -0.317 37.668 38.000 -0.025 0.000 1.058 435 I HN 0.262 nan 8.210 nan 0.000 0.410 436 L N 0.237 121.451 121.223 -0.013 0.000 2.191 436 L HA -0.219 4.122 4.340 0.001 0.000 0.212 436 L C 1.463 178.329 176.870 -0.008 0.000 1.103 436 L CA 1.019 55.854 54.840 -0.010 0.000 0.769 436 L CB -0.515 41.539 42.059 -0.008 0.000 0.908 436 L HN 0.272 nan 8.230 nan 0.000 0.438 437 D N -0.918 119.477 120.400 -0.008 0.000 2.349 437 D HA 0.067 4.707 4.640 0.001 0.000 0.215 437 D C 0.959 177.255 176.300 -0.007 0.000 1.016 437 D CA 0.294 54.290 54.000 -0.007 0.000 0.870 437 D CB 0.181 40.977 40.800 -0.006 0.000 0.917 437 D HN 0.196 nan 8.370 nan 0.000 0.524 438 M N 1.204 120.798 119.600 -0.009 0.000 2.248 438 M HA 0.006 4.487 4.480 0.001 0.000 0.345 438 M C 0.338 176.635 176.300 -0.007 0.000 1.243 438 M CA 0.443 55.738 55.300 -0.009 0.000 1.090 438 M CB 0.645 33.239 32.600 -0.011 0.000 1.683 438 M HN -0.154 nan 8.290 nan 0.000 0.450 439 Q N 2.465 122.262 119.800 -0.005 0.000 2.306 439 Q HA 0.199 4.540 4.340 0.001 0.000 0.241 439 Q C 0.916 176.913 176.000 -0.004 0.000 0.948 439 Q CA -0.403 55.398 55.803 -0.004 0.000 0.886 439 Q CB 1.279 30.015 28.738 -0.003 0.000 1.227 439 Q HN 0.750 nan 8.270 nan 0.000 0.457 440 L N 1.383 122.603 121.223 -0.004 0.000 2.131 440 L HA -0.225 4.115 4.340 0.001 0.000 0.210 440 L C 2.421 179.289 176.870 -0.003 0.000 1.092 440 L CA 1.364 56.202 54.840 -0.004 0.000 0.759 440 L CB -0.429 41.629 42.059 -0.003 0.000 0.903 440 L HN 0.668 nan 8.230 nan 0.000 0.435 441 R N -0.228 120.270 120.500 -0.003 0.000 2.159 441 R HA -0.151 4.189 4.340 0.001 0.000 0.237 441 R C 1.846 178.144 176.300 -0.003 0.000 1.131 441 R CA 0.897 56.995 56.100 -0.002 0.000 0.982 441 R CB -0.508 29.791 30.300 -0.002 0.000 0.868 441 R HN 0.203 nan 8.270 nan 0.000 0.453 442 R N 1.027 121.525 120.500 -0.004 0.000 2.316 442 R HA 0.091 4.432 4.340 0.001 0.000 0.202 442 R C 1.572 177.869 176.300 -0.005 0.000 1.029 442 R CA 0.595 56.692 56.100 -0.005 0.000 1.018 442 R CB -0.175 30.122 30.300 -0.006 0.000 0.888 442 R HN 0.401 nan 8.270 nan 0.000 0.471 443 L N 0.181 121.401 121.223 -0.005 0.000 2.607 443 L HA 0.250 4.591 4.340 0.001 0.000 0.228 443 L C 0.939 177.806 176.870 -0.004 0.000 1.123 443 L CA -0.322 54.514 54.840 -0.005 0.000 0.890 443 L CB -0.125 41.931 42.059 -0.005 0.000 1.103 443 L HN -0.071 nan 8.230 nan 0.000 0.468 444 A N 0.280 123.098 122.820 -0.003 0.000 2.445 444 A HA 0.433 4.753 4.320 0.001 0.000 0.242 444 A C 1.555 179.137 177.584 -0.003 0.000 1.075 444 A CA 0.568 52.603 52.037 -0.003 0.000 0.777 444 A CB 0.581 19.580 19.000 -0.002 0.000 1.013 444 A HN 0.295 nan 8.150 nan 0.000 0.493 445 A N 1.353 124.171 122.820 -0.003 0.000 1.892 445 A HA -0.150 4.170 4.320 0.001 0.000 0.218 445 A C 1.977 179.560 177.584 -0.003 0.000 1.188 445 A CA 2.017 54.052 52.037 -0.003 0.000 0.631 445 A CB -0.755 18.244 19.000 -0.002 0.000 0.822 445 A HN 1.327 nan 8.150 nan 0.000 0.447 446 L N -0.430 120.792 121.223 -0.002 0.000 2.127 446 L HA -0.149 4.192 4.340 0.001 0.000 0.211 446 L C 2.107 178.976 176.870 -0.002 0.000 1.089 446 L CA 2.138 56.977 54.840 -0.002 0.000 0.757 446 L CB -0.384 41.674 42.059 -0.001 0.000 0.899 446 L HN 0.368 nan 8.230 nan 0.000 0.434 447 E N -0.407 119.792 120.200 -0.003 0.000 2.158 447 E HA -0.108 4.242 4.350 0.001 0.000 0.191 447 E C 2.299 178.897 176.600 -0.004 0.000 0.982 447 E CA 0.634 57.032 56.400 -0.003 0.000 0.823 447 E CB -0.125 29.573 29.700 -0.003 0.000 0.766 447 E HN 0.568 nan 8.360 nan 0.000 0.468 448 R N 0.644 121.141 120.500 -0.005 0.000 2.073 448 R HA -0.141 4.199 4.340 0.001 0.000 0.234 448 R C 2.381 178.678 176.300 -0.006 0.000 1.134 448 R CA 1.334 57.430 56.100 -0.006 0.000 0.952 448 R CB -0.225 30.072 30.300 -0.006 0.000 0.850 448 R HN 0.039 nan 8.270 nan 0.000 0.433 449 Q N 1.084 120.881 119.800 -0.005 0.000 2.170 449 Q HA -0.134 4.207 4.340 0.001 0.000 0.203 449 Q C 1.981 177.979 176.000 -0.004 0.000 0.976 449 Q CA 1.524 57.324 55.803 -0.004 0.000 0.858 449 Q CB -0.133 28.604 28.738 -0.003 0.000 0.907 449 Q HN 0.154 nan 8.270 nan 0.000 0.433 450 R N -0.411 120.087 120.500 -0.003 0.000 2.096 450 R HA -0.094 4.246 4.340 0.001 0.000 0.235 450 R C 2.049 178.347 176.300 -0.004 0.000 1.127 450 R CA 1.416 57.514 56.100 -0.003 0.000 0.968 450 R CB -0.271 30.028 30.300 -0.002 0.000 0.861 450 R HN 0.381 nan 8.270 nan 0.000 0.440 451 I N 0.531 121.098 120.570 -0.006 0.000 2.179 451 I HA -0.304 3.866 4.170 0.001 0.000 0.242 451 I C 2.235 178.346 176.117 -0.008 0.000 1.088 451 I CA 1.286 62.581 61.300 -0.008 0.000 1.357 451 I CB -0.205 37.789 38.000 -0.011 0.000 1.051 451 I HN 0.191 nan 8.210 nan 0.000 0.409 452 I N 0.704 121.269 120.570 -0.008 0.000 2.127 452 I HA -0.340 3.831 4.170 0.001 0.000 0.241 452 I C 2.085 178.199 176.117 -0.005 0.000 1.075 452 I CA 1.539 62.834 61.300 -0.007 0.000 1.334 452 I CB -0.511 37.485 38.000 -0.007 0.000 1.040 452 I HN 0.236 nan 8.210 nan 0.000 0.405 453 D N 0.670 121.068 120.400 -0.004 0.000 2.144 453 D HA -0.171 4.470 4.640 0.001 0.000 0.199 453 D C 1.794 178.093 176.300 -0.002 0.000 0.984 453 D CA 1.202 55.200 54.000 -0.003 0.000 0.834 453 D CB -0.393 40.406 40.800 -0.002 0.000 0.955 453 D HN 0.307 nan 8.370 nan 0.000 0.465 454 D N -0.043 120.356 120.400 -0.003 0.000 2.144 454 D HA -0.098 4.543 4.640 0.001 0.000 0.200 454 D C 2.109 178.408 176.300 -0.003 0.000 0.978 454 D CA 0.193 54.192 54.000 -0.002 0.000 0.833 454 D CB -0.221 40.578 40.800 -0.002 0.000 0.961 454 D HN 0.137 nan 8.370 nan 0.000 0.470 455 L N 1.035 122.255 121.223 -0.005 0.000 2.017 455 L HA -0.056 4.285 4.340 0.001 0.000 0.208 455 L C 2.113 178.981 176.870 -0.003 0.000 1.073 455 L CA 1.795 56.632 54.840 -0.005 0.000 0.745 455 L CB -0.885 41.169 42.059 -0.008 0.000 0.894 455 L HN -0.026 nan 8.230 nan 0.000 0.432 456 A N -0.569 122.249 122.820 -0.003 0.000 1.908 456 A HA -0.266 4.055 4.320 0.001 0.000 0.218 456 A C 2.359 179.942 177.584 -0.001 0.000 1.181 456 A CA 2.169 54.205 52.037 -0.002 0.000 0.627 456 A CB -0.560 18.439 19.000 -0.002 0.000 0.818 456 A HN 0.531 nan 8.150 nan 0.000 0.445 457 K N -1.171 119.229 120.400 -0.001 0.000 2.057 457 K HA -0.063 4.258 4.320 0.001 0.000 0.206 457 K C 1.826 178.426 176.600 0.000 0.000 1.050 457 K CA 1.371 57.658 56.287 0.000 0.000 0.935 457 K CB -0.282 32.219 32.500 0.002 0.000 0.715 457 K HN 0.456 nan 8.250 nan 0.000 0.439 458 I N 1.995 122.565 120.570 -0.000 0.000 2.439 458 I HA -0.199 3.971 4.170 0.001 0.000 0.251 458 I C 1.644 177.760 176.117 -0.002 0.000 1.139 458 I CA 1.540 62.839 61.300 -0.001 0.000 1.438 458 I CB 0.035 38.034 38.000 -0.001 0.000 1.085 458 I HN 0.138 nan 8.210 nan 0.000 0.427 459 E N 0.385 120.584 120.200 -0.001 0.000 2.150 459 E HA -0.170 4.181 4.350 0.001 0.000 0.193 459 E C 2.212 178.811 176.600 -0.002 0.000 0.985 459 E CA 1.040 57.440 56.400 -0.001 0.000 0.814 459 E CB -0.266 29.433 29.700 -0.000 0.000 0.752 459 E HN 0.609 nan 8.360 nan 0.000 0.466 460 A N 1.548 124.367 122.820 -0.002 0.000 1.929 460 A HA -0.212 4.109 4.320 0.001 0.000 0.216 460 A C 2.063 179.646 177.584 -0.002 0.000 1.176 460 A CA 1.300 53.336 52.037 -0.002 0.000 0.628 460 A CB -0.339 18.660 19.000 -0.001 0.000 0.816 460 A HN 0.218 nan 8.150 nan 0.000 0.444 461 E N -0.033 120.166 120.200 -0.001 0.000 2.058 461 E HA -0.193 4.157 4.350 0.001 0.000 0.194 461 E C 1.866 178.464 176.600 -0.003 0.000 0.997 461 E CA 1.390 57.789 56.400 -0.000 0.000 0.801 461 E CB -0.231 29.470 29.700 0.002 0.000 0.746 461 E HN 0.662 nan 8.360 nan 0.000 0.450 462 I N 0.903 121.470 120.570 -0.006 0.000 2.163 462 I HA -0.296 3.874 4.170 0.001 0.000 0.243 462 I C 2.608 178.721 176.117 -0.008 0.000 1.085 462 I CA 1.089 62.384 61.300 -0.009 0.000 1.347 462 I CB -0.389 37.606 38.000 -0.009 0.000 1.044 462 I HN 0.196 nan 8.210 nan 0.000 0.408 463 A N 0.330 123.147 122.820 -0.006 0.000 1.908 463 A HA -0.323 3.997 4.320 0.001 0.000 0.218 463 A C 1.994 179.574 177.584 -0.006 0.000 1.181 463 A CA 2.466 54.500 52.037 -0.006 0.000 0.627 463 A CB -0.747 18.250 19.000 -0.005 0.000 0.818 463 A HN 0.476 nan 8.150 nan 0.000 0.445 464 D N -0.430 119.967 120.400 -0.005 0.000 2.144 464 D HA -0.076 4.565 4.640 0.001 0.000 0.200 464 D C 1.825 178.122 176.300 -0.005 0.000 0.978 464 D CA 1.097 55.095 54.000 -0.004 0.000 0.833 464 D CB -0.176 40.623 40.800 -0.002 0.000 0.961 464 D HN 0.429 nan 8.370 nan 0.000 0.470 465 L N 0.132 121.353 121.223 -0.004 0.000 2.056 465 L HA -0.058 4.283 4.340 0.001 0.000 0.207 465 L C 2.437 179.303 176.870 -0.006 0.000 1.078 465 L CA 1.002 55.840 54.840 -0.003 0.000 0.749 465 L CB -0.411 41.647 42.059 -0.002 0.000 0.901 465 L HN 0.066 nan 8.230 nan 0.000 0.433 466 E N 0.066 120.261 120.200 -0.009 0.000 2.085 466 E HA -0.290 4.060 4.350 0.001 0.000 0.194 466 E C 1.686 178.279 176.600 -0.011 0.000 0.994 466 E CA 1.698 58.091 56.400 -0.011 0.000 0.801 466 E CB -0.075 29.619 29.700 -0.011 0.000 0.743 466 E HN 0.426 nan 8.360 nan 0.000 0.453 467 D N 0.262 120.656 120.400 -0.011 0.000 2.144 467 D HA -0.110 4.531 4.640 0.001 0.000 0.200 467 D C 1.790 178.081 176.300 -0.015 0.000 0.978 467 D CA 0.814 54.806 54.000 -0.013 0.000 0.833 467 D CB 0.052 40.846 40.800 -0.012 0.000 0.961 467 D HN 0.095 nan 8.370 nan 0.000 0.470 468 I N 0.053 120.615 120.570 -0.014 0.000 2.226 468 I HA -0.227 3.943 4.170 0.001 0.000 0.245 468 I C 2.255 178.360 176.117 -0.019 0.000 1.100 468 I CA 0.642 61.933 61.300 -0.016 0.000 1.374 468 I CB -0.199 37.794 38.000 -0.011 0.000 1.057 468 I HN 0.123 nan 8.210 nan 0.000 0.413 469 L N 0.521 121.734 121.223 -0.016 0.000 2.127 469 L HA -0.207 4.133 4.340 0.001 0.000 0.211 469 L C 2.645 179.502 176.870 -0.021 0.000 1.089 469 L CA 1.303 56.133 54.840 -0.017 0.000 0.757 469 L CB -0.636 41.416 42.059 -0.012 0.000 0.899 469 L HN 0.268 nan 8.230 nan 0.000 0.434 470 A N -0.558 122.250 122.820 -0.020 0.000 2.123 470 A HA -0.009 4.311 4.320 0.001 0.000 0.214 470 A C 0.878 178.446 177.584 -0.026 0.000 1.152 470 A CA 0.570 52.594 52.037 -0.021 0.000 0.728 470 A CB 0.010 18.999 19.000 -0.017 0.000 0.814 470 A HN 0.239 nan 8.150 nan 0.000 0.464 471 K N -0.105 120.277 120.400 -0.030 0.000 2.575 471 K HA 0.318 4.639 4.320 0.001 0.000 0.236 471 K C -2.479 174.091 176.600 -0.051 0.000 0.976 471 K CA -1.888 54.377 56.287 -0.038 0.000 0.985 471 K CB 1.958 34.439 32.500 -0.032 0.000 1.198 471 K HN -0.080 nan 8.250 nan 0.000 0.464 472 P HA -0.272 nan 4.420 nan 0.000 0.218 472 P C 1.095 178.329 177.300 -0.110 0.000 1.148 472 P CA 1.154 64.196 63.100 -0.097 0.000 0.822 472 P CB 0.291 31.914 31.700 -0.128 0.000 0.784 473 E N 0.669 120.812 120.200 -0.095 0.000 2.110 473 E HA -0.207 4.144 4.350 0.001 0.000 0.193 473 E C 1.867 178.433 176.600 -0.057 0.000 0.988 473 E CA 1.239 57.591 56.400 -0.079 0.000 0.804 473 E CB -0.844 28.824 29.700 -0.053 0.000 0.745 473 E HN 0.269 nan 8.360 nan 0.000 0.458 474 R N 0.610 121.081 120.500 -0.047 0.000 2.092 474 R HA -0.076 4.264 4.340 0.001 0.000 0.231 474 R C 2.615 178.893 176.300 -0.037 0.000 1.119 474 R CA 1.679 57.757 56.100 -0.036 0.000 0.970 474 R CB -0.218 30.065 30.300 -0.029 0.000 0.864 474 R HN 0.344 nan 8.270 nan 0.000 0.440 475 Q N 0.117 119.889 119.800 -0.046 0.000 2.046 475 Q HA -0.106 4.234 4.340 0.001 0.000 0.200 475 Q C 2.142 178.115 176.000 -0.045 0.000 0.975 475 Q CA 1.332 57.107 55.803 -0.046 0.000 0.836 475 Q CB -0.051 28.654 28.738 -0.056 0.000 0.896 475 Q HN 0.265 nan 8.270 nan 0.000 0.428 476 R N -0.160 120.305 120.500 -0.058 0.000 2.096 476 R HA -0.101 4.240 4.340 0.001 0.000 0.235 476 R C 2.352 178.641 176.300 -0.018 0.000 1.127 476 R CA 1.224 57.299 56.100 -0.043 0.000 0.968 476 R CB -0.488 29.773 30.300 -0.065 0.000 0.861 476 R HN 0.340 nan 8.270 nan 0.000 0.440 477 G N 0.889 109.673 108.800 -0.028 0.000 2.422 477 G HA2 -0.192 3.768 3.960 0.001 0.000 0.218 477 G HA3 -0.192 3.768 3.960 0.001 0.000 0.218 477 G C 1.423 176.317 174.900 -0.011 0.000 1.140 477 G CA 0.382 45.467 45.100 -0.025 0.000 0.775 477 G HN 0.161 nan 8.290 nan 0.000 0.545 478 I N 0.288 120.853 120.570 -0.009 0.000 2.252 478 I HA -0.126 4.045 4.170 0.001 0.000 0.245 478 I C 2.738 178.869 176.117 0.022 0.000 1.102 478 I CA 0.378 61.679 61.300 0.002 0.000 1.385 478 I CB -0.189 37.808 38.000 -0.005 0.000 1.064 478 I HN 0.010 nan 8.210 nan 0.000 0.414 479 V N 1.020 120.947 119.914 0.022 0.000 2.287 479 V HA -0.314 3.807 4.120 0.001 0.000 0.248 479 V C 2.648 178.821 176.094 0.132 0.000 1.053 479 V CA 2.107 64.438 62.300 0.052 0.000 1.027 479 V CB -0.829 31.009 31.823 0.025 0.000 0.646 479 V HN 0.438 nan 8.190 nan 0.000 0.447 480 R N 0.084 120.660 120.500 0.127 0.000 2.080 480 R HA -0.213 4.128 4.340 0.001 0.000 0.236 480 R C 2.053 178.412 176.300 0.099 0.000 1.137 480 R CA 2.335 58.535 56.100 0.166 0.000 0.943 480 R CB -0.448 29.850 30.300 -0.003 0.000 0.846 480 R HN 0.496 nan 8.270 nan 0.000 0.431 481 D N 0.215 120.632 120.400 0.027 0.000 2.144 481 D HA -0.122 4.518 4.640 0.001 0.000 0.200 481 D C 1.808 178.145 176.300 0.061 0.000 0.978 481 D CA 1.197 55.203 54.000 0.008 0.000 0.833 481 D CB -0.109 40.687 40.800 -0.007 0.000 0.961 481 D HN 0.444 nan 8.370 nan 0.000 0.470 482 E N -0.041 120.208 120.200 0.081 0.000 2.072 482 E HA -0.118 4.232 4.350 0.001 0.000 0.190 482 E C 2.043 178.726 176.600 0.137 0.000 0.982 482 E CA 0.238 56.693 56.400 0.090 0.000 0.803 482 E CB 0.004 29.747 29.700 0.072 0.000 0.755 482 E HN 0.101 nan 8.360 nan 0.000 0.453 483 L N 0.999 122.341 121.223 0.197 0.000 2.056 483 L HA -0.040 4.300 4.340 0.001 0.000 0.207 483 L C 2.196 179.240 176.870 0.291 0.000 1.078 483 L CA 1.801 56.785 54.840 0.240 0.000 0.749 483 L CB -0.551 41.664 42.059 0.260 0.000 0.901 483 L HN 0.001 nan 8.230 nan 0.000 0.433 484 A N -0.732 122.307 122.820 0.365 0.000 1.940 484 A HA -0.280 4.040 4.320 0.001 0.000 0.219 484 A C 2.334 180.003 177.584 0.142 0.000 1.176 484 A CA 1.868 54.084 52.037 0.298 0.000 0.631 484 A CB -0.721 18.311 19.000 0.054 0.000 0.814 484 A HN 0.638 nan 8.150 nan 0.000 0.446 485 E N -0.241 120.019 120.200 0.099 0.000 2.072 485 E HA -0.149 4.201 4.350 0.001 0.000 0.191 485 E C 1.857 178.489 176.600 0.053 0.000 0.985 485 E CA 1.113 57.546 56.400 0.055 0.000 0.801 485 E CB -0.215 29.515 29.700 0.050 0.000 0.750 485 E HN 0.674 nan 8.360 nan 0.000 0.452 486 I N 0.412 121.043 120.570 0.102 0.000 2.179 486 I HA -0.267 3.904 4.170 0.001 0.000 0.242 486 I C 2.331 178.494 176.117 0.077 0.000 1.088 486 I CA 0.826 62.210 61.300 0.140 0.000 1.357 486 I CB -0.141 37.950 38.000 0.152 0.000 1.051 486 I HN 0.076 nan 8.210 nan 0.000 0.409 487 V N 0.547 120.498 119.914 0.060 0.000 2.427 487 V HA -0.257 3.863 4.120 0.001 0.000 0.248 487 V C 1.982 178.078 176.094 0.002 0.000 1.051 487 V CA 1.788 64.099 62.300 0.018 0.000 1.048 487 V CB -0.686 31.174 31.823 0.061 0.000 0.666 487 V HN 0.382 nan 8.190 nan 0.000 0.456 488 D N 0.035 120.440 120.400 0.009 0.000 2.144 488 D HA -0.126 4.514 4.640 0.001 0.000 0.199 488 D C 2.441 178.686 176.300 -0.091 0.000 0.984 488 D CA 1.223 55.211 54.000 -0.021 0.000 0.834 488 D CB -0.162 40.630 40.800 -0.013 0.000 0.955 488 D HN 0.390 nan 8.370 nan 0.000 0.465 489 R N -0.832 119.557 120.500 -0.185 0.000 2.100 489 R HA 0.042 4.383 4.340 0.001 0.000 0.220 489 R C 1.445 177.459 176.300 -0.476 0.000 1.091 489 R CA 0.773 56.631 56.100 -0.402 0.000 0.986 489 R CB 0.156 30.052 30.300 -0.672 0.000 0.888 489 R HN 0.326 nan 8.270 nan 0.000 0.444 490 H N -1.343 117.693 119.070 -0.058 0.000 2.986 490 H HA 0.210 4.766 4.556 0.001 0.000 0.267 490 H C 0.757 176.033 175.328 -0.087 0.000 1.072 490 H CA 0.125 56.121 56.048 -0.087 0.000 1.202 490 H CB 0.498 30.156 29.762 -0.174 0.000 1.535 490 H HN 0.124 nan 8.280 nan 0.000 0.522 491 G N 1.877 110.676 108.800 -0.001 0.000 2.544 491 G HA2 0.275 4.235 3.960 0.001 0.000 0.242 491 G HA3 0.275 4.235 3.960 0.001 0.000 0.242 491 G C -0.206 174.733 174.900 0.065 0.000 1.247 491 G CA -0.061 45.040 45.100 0.002 0.000 0.840 491 G HN 0.321 nan 8.290 nan 0.000 0.578 492 D N -0.578 119.890 120.400 0.112 0.000 2.610 492 D HA 0.319 4.959 4.640 0.001 0.000 0.271 492 D C -1.018 175.321 176.300 0.065 0.000 1.174 492 D CA -0.850 53.204 54.000 0.090 0.000 0.949 492 D CB 0.559 41.424 40.800 0.108 0.000 1.430 492 D HN 0.198 nan 8.370 nan 0.000 0.467 493 D N -0.269 120.152 120.400 0.036 0.000 2.357 493 D HA 0.166 4.807 4.640 0.001 0.000 0.242 493 D C 0.376 176.681 176.300 0.008 0.000 1.153 493 D CA -0.094 53.917 54.000 0.020 0.000 0.918 493 D CB 0.674 41.480 40.800 0.011 0.000 1.181 493 D HN 0.314 nan 8.370 nan 0.000 0.435 494 R N 1.110 121.608 120.500 -0.003 0.000 2.570 494 R HA 0.030 4.371 4.340 0.001 0.000 0.277 494 R C 0.797 177.078 176.300 -0.031 0.000 1.039 494 R CA 0.327 56.412 56.100 -0.026 0.000 1.065 494 R CB 0.509 30.791 30.300 -0.030 0.000 0.964 494 R HN 0.414 nan 8.270 nan 0.000 0.428 495 R N 1.398 121.867 120.500 -0.051 0.000 2.167 495 R HA 0.091 4.431 4.340 0.001 0.000 0.201 495 R C 0.085 176.371 176.300 -0.024 0.000 1.024 495 R CA 0.541 56.621 56.100 -0.033 0.000 1.053 495 R CB 0.403 30.681 30.300 -0.036 0.000 0.987 495 R HN 0.518 nan 8.270 nan 0.000 0.493 496 T N 2.201 116.725 114.554 -0.050 0.000 2.749 496 T HA 0.198 4.549 4.350 0.001 0.000 0.295 496 T C -0.243 174.434 174.700 -0.038 0.000 0.936 496 T CA -0.232 61.853 62.100 -0.024 0.000 1.060 496 T CB 1.357 70.185 68.868 -0.065 0.000 0.904 496 T HN 0.084 nan 8.240 nan 0.000 0.500 497 R N 3.348 123.841 120.500 -0.012 0.000 2.410 497 R HA 0.512 4.852 4.340 0.001 0.000 0.288 497 R C -0.711 175.578 176.300 -0.019 0.000 1.051 497 R CA -0.501 55.590 56.100 -0.016 0.000 1.021 497 R CB 0.430 30.727 30.300 -0.006 0.000 1.032 497 R HN 0.591 nan 8.270 nan 0.000 0.481 498 I N 5.708 126.263 120.570 -0.025 0.000 2.354 498 I HA 0.297 4.468 4.170 0.001 0.000 0.292 498 I C -0.337 175.769 176.117 -0.019 0.000 0.989 498 I CA -0.601 60.684 61.300 -0.026 0.000 1.188 498 I CB 1.762 39.741 38.000 -0.034 0.000 1.342 498 I HN 0.512 nan 8.210 nan 0.000 0.457 499 I N 6.035 126.594 120.570 -0.019 0.000 2.382 499 I HA 0.438 4.608 4.170 0.001 0.000 0.285 499 I C 0.616 176.722 176.117 -0.018 0.000 1.007 499 I CA -0.356 60.934 61.300 -0.016 0.000 1.142 499 I CB 1.529 39.519 38.000 -0.017 0.000 1.289 499 I HN 0.638 nan 8.210 nan 0.000 0.453 500 A N 0.000 122.811 122.820 -0.015 0.000 2.254 500 A HA 0.000 4.320 4.320 0.001 0.000 0.244 500 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 500 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 500 A HN 0.000 nan 8.150 nan 0.000 0.486