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 2j62_1_A DATA FIRST_RESID 40 DATA SEQUENCE QVLVPNLNPT PENLEVVGDG FKITSSINLV GEEEADENAV NALREFLTAN DATA SEQUENCE NIEINSENDP NSTTLIIGEV DDDIPELDEA LNGTTAENLK EEGYALVSND DATA SEQUENCE GKIAIEGKDG DGTFYGVQTF KQLVKESNIP EVNITDYPTV SARGIVEGFY DATA SEQUENCE GTPWTHQDRL DQIKFYGENK LNTYIYAPKD DPYHREKWRE PYPESEMQRM DATA SEQUENCE QELINASAEN KVDFVFGISP GIDIRFDGDA GEEDFNHLIT KAESLYDMGV DATA SEQUENCE RSFAIYWDDI QDKSAAKHAQ VLNRFNEEFV KAKGDVKPLI TVPTEYDTGA DATA SEQUENCE MVSNGQPRAY TRIFAETVDP SIEVMWTGPG VVTNEIPLSD AQLISGIYDR DATA SEQUENCE NMAVWWNYPV TDYFKGKLAL GPMHGLDKGL NQYVDFFTVN PMEHAELSKI DATA SEQUENCE SIHTAADYSW NMDNYDYDKA WNRAIDMLYG DLAEDMKVFA NHSTRMDNKT DATA SEQUENCE WAKSGREDAP ELRAKMDELW NKLSSKEDAS ALIEELYGEF ARMEEACNNL DATA SEQUENCE KANLPEVALE ECSRQLDELI TLAQGDKASL DMIVAQLNED TEAYESAKEI DATA SEQUENCE AQNKLNTALS SFAVISEKVA QSFIQEALSF DLTLI 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 40 Q HA 0.000 nan 4.340 nan 0.000 0.214 40 Q C 0.000 176.005 176.000 0.008 0.000 1.003 40 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 40 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 41 V N 2.224 122.139 119.914 0.001 0.000 2.483 41 V HA 0.644 4.761 4.120 -0.005 0.000 0.297 41 V C -0.946 175.136 176.094 -0.019 0.000 1.027 41 V CA -0.642 61.648 62.300 -0.016 0.000 0.855 41 V CB 1.246 33.047 31.823 -0.037 0.000 0.995 41 V HN 0.574 nan 8.190 nan 0.000 0.424 42 L N 6.320 127.531 121.223 -0.019 0.000 2.464 42 L HA 0.431 4.767 4.340 -0.005 0.000 0.264 42 L C 0.366 177.220 176.870 -0.026 0.000 1.199 42 L CA 0.057 54.887 54.840 -0.017 0.000 0.818 42 L CB 0.444 42.494 42.059 -0.014 0.000 1.102 42 L HN 0.493 nan 8.230 nan 0.000 0.473 43 V N 1.910 121.812 119.914 -0.020 0.000 2.508 43 V HA 0.206 4.323 4.120 -0.005 0.000 0.281 43 V C -1.716 174.362 176.094 -0.026 0.000 1.041 43 V CA -1.219 61.066 62.300 -0.025 0.000 1.016 43 V CB 0.127 31.942 31.823 -0.013 0.000 0.984 43 V HN 0.709 nan 8.190 nan 0.000 0.478 44 P HA 0.167 nan 4.420 nan 0.000 0.272 44 P C -0.163 177.124 177.300 -0.022 0.000 1.240 44 P CA -0.671 62.409 63.100 -0.033 0.000 0.791 44 P CB 0.317 31.988 31.700 -0.049 0.000 0.978 45 N N 0.711 119.405 118.700 -0.011 0.000 2.294 45 N HA -0.009 4.728 4.740 -0.005 0.000 0.263 45 N C -0.448 175.063 175.510 0.002 0.000 1.281 45 N CA 0.725 53.779 53.050 0.007 0.000 0.846 45 N CB -0.211 38.288 38.487 0.021 0.000 1.061 45 N HN 0.288 nan 8.380 nan 0.000 0.478 46 L N 1.997 123.223 121.223 0.004 0.000 2.362 46 L HA 0.475 4.812 4.340 -0.005 0.000 0.271 46 L C 0.022 176.879 176.870 -0.022 0.000 1.002 46 L CA -0.875 53.951 54.840 -0.025 0.000 0.818 46 L CB 1.845 43.882 42.059 -0.038 0.000 1.298 46 L HN 0.437 nan 8.230 nan 0.000 0.420 47 N N 1.903 120.550 118.700 -0.088 0.000 2.397 47 N HA 0.492 5.229 4.740 -0.005 0.000 0.291 47 N C -2.837 172.476 175.510 -0.328 0.000 1.065 47 N CA -1.294 51.648 53.050 -0.180 0.000 0.884 47 N CB 2.841 41.163 38.487 -0.275 0.000 1.551 47 N HN 0.129 nan 8.380 nan 0.000 0.487 48 P HA 0.115 nan 4.420 nan 0.000 0.271 48 P C -0.659 176.548 177.300 -0.156 0.000 1.244 48 P CA -0.136 62.794 63.100 -0.284 0.000 0.793 48 P CB 0.329 31.749 31.700 -0.467 0.000 0.984 49 T N 2.835 117.388 114.554 -0.002 0.000 2.799 49 T HA 0.201 4.548 4.350 -0.005 0.000 0.296 49 T C -2.154 172.594 174.700 0.079 0.000 0.947 49 T CA -0.795 61.327 62.100 0.036 0.000 1.141 49 T CB -0.541 68.367 68.868 0.065 0.000 0.891 49 T HN 0.288 nan 8.240 nan 0.000 0.533 50 P HA 0.097 nan 4.420 nan 0.000 0.267 50 P C 0.865 178.191 177.300 0.043 0.000 1.200 50 P CA -0.162 63.000 63.100 0.104 0.000 0.772 50 P CB 0.677 32.419 31.700 0.069 0.000 0.855 51 E N 2.554 122.734 120.200 -0.033 0.000 2.023 51 E HA -0.147 4.200 4.350 -0.005 0.000 0.196 51 E C -0.002 176.538 176.600 -0.101 0.000 1.003 51 E CA 1.745 58.028 56.400 -0.194 0.000 0.809 51 E CB -0.122 29.235 29.700 -0.571 0.000 0.755 51 E HN 0.379 nan 8.360 nan 0.000 0.449 52 N N 0.238 118.897 118.700 -0.069 0.000 2.491 52 N HA 0.265 5.002 4.740 -0.005 0.000 0.274 52 N C -1.386 174.120 175.510 -0.007 0.000 1.023 52 N CA -0.349 52.686 53.050 -0.024 0.000 0.902 52 N CB 1.722 40.207 38.487 -0.004 0.000 1.267 52 N HN 0.106 nan 8.380 nan 0.000 0.503 53 L N 1.044 122.270 121.223 0.004 0.000 2.365 53 L HA 0.522 4.859 4.340 -0.005 0.000 0.273 53 L C -0.648 176.233 176.870 0.018 0.000 1.000 53 L CA -0.423 54.427 54.840 0.017 0.000 0.819 53 L CB 1.818 43.890 42.059 0.021 0.000 1.284 53 L HN 0.363 nan 8.230 nan 0.000 0.418 54 E N 3.275 123.491 120.200 0.025 0.000 2.275 54 E HA 0.303 4.650 4.350 -0.005 0.000 0.270 54 E C -1.340 175.278 176.600 0.031 0.000 0.882 54 E CA -0.793 55.622 56.400 0.025 0.000 0.758 54 E CB 2.718 32.432 29.700 0.024 0.000 1.195 54 E HN 0.340 nan 8.360 nan 0.000 0.419 55 V N 3.955 123.885 119.914 0.026 0.000 2.421 55 V HA -0.008 4.109 4.120 -0.005 0.000 0.271 55 V C 1.116 177.231 176.094 0.035 0.000 1.031 55 V CA 0.167 62.485 62.300 0.030 0.000 1.032 55 V CB 0.629 32.465 31.823 0.022 0.000 1.009 55 V HN 0.637 nan 8.190 nan 0.000 0.477 56 V N 2.236 122.177 119.914 0.046 0.000 3.578 56 V HA 0.776 4.893 4.120 -0.005 0.000 0.290 56 V C 0.669 176.795 176.094 0.053 0.000 1.376 56 V CA 0.840 63.168 62.300 0.047 0.000 1.083 56 V CB -0.070 31.785 31.823 0.052 0.000 0.911 56 V HN 0.915 nan 8.190 nan 0.000 0.433 57 G N -0.641 108.194 108.800 0.058 0.000 2.490 57 G HA2 0.301 4.258 3.960 -0.005 0.000 0.308 57 G HA3 0.301 4.258 3.960 -0.005 0.000 0.308 57 G C -0.826 174.112 174.900 0.063 0.000 1.286 57 G CA 0.301 45.439 45.100 0.064 0.000 0.825 57 G HN -0.060 nan 8.290 nan 0.000 0.479 58 D N -0.123 120.319 120.400 0.071 0.000 2.289 58 D HA 0.337 4.974 4.640 -0.005 0.000 0.207 58 D C 1.431 177.771 176.300 0.067 0.000 0.966 58 D CA 1.917 55.953 54.000 0.060 0.000 0.868 58 D CB 0.475 41.309 40.800 0.055 0.000 0.943 58 D HN 1.348 nan 8.370 nan 0.000 0.514 59 G N 0.611 109.479 108.800 0.114 0.000 2.612 59 G HA2 0.076 4.033 3.960 -0.005 0.000 0.686 59 G HA3 0.076 4.033 3.960 -0.005 0.000 0.686 59 G C -0.788 174.235 174.900 0.206 0.000 1.274 59 G CA -0.509 44.648 45.100 0.095 0.000 0.849 59 G HN 0.233 nan 8.290 nan 0.000 0.595 60 F N -1.886 118.081 119.950 0.028 0.000 2.711 60 F HA 0.877 5.401 4.527 -0.005 0.000 0.313 60 F C -0.581 175.238 175.800 0.031 0.000 1.141 60 F CA -1.222 56.794 58.000 0.028 0.000 0.941 60 F CB 1.804 40.823 39.000 0.032 0.000 1.349 60 F HN 0.664 nan 8.300 nan 0.000 0.464 61 K N 2.566 123.098 120.400 0.220 0.000 2.211 61 K HA 0.593 4.910 4.320 -0.005 0.000 0.275 61 K C -0.949 175.807 176.600 0.259 0.000 1.024 61 K CA -0.512 55.843 56.287 0.113 0.000 0.887 61 K CB 0.917 33.469 32.500 0.086 0.000 1.084 61 K HN 0.763 nan 8.250 nan 0.000 0.463 62 I N 4.063 124.726 120.570 0.156 0.000 2.588 62 I HA -0.022 4.145 4.170 -0.005 0.000 0.283 62 I C 0.993 177.201 176.117 0.152 0.000 1.119 62 I CA -0.172 61.267 61.300 0.231 0.000 1.419 62 I CB 1.074 39.189 38.000 0.191 0.000 1.394 62 I HN 0.756 nan 8.210 nan 0.000 0.562 63 T N 1.397 116.038 114.554 0.145 0.000 2.766 63 T HA 0.082 4.429 4.350 -0.005 0.000 0.295 63 T C 1.211 175.951 174.700 0.066 0.000 1.024 63 T CA -0.719 61.434 62.100 0.090 0.000 1.018 63 T CB 0.994 69.906 68.868 0.073 0.000 1.002 63 T HN 0.570 nan 8.240 nan 0.000 0.532 64 S N 0.764 116.490 115.700 0.043 0.000 2.383 64 S HA -0.013 4.454 4.470 -0.005 0.000 0.229 64 S C 1.086 175.703 174.600 0.028 0.000 1.030 64 S CA 1.146 59.362 58.200 0.026 0.000 1.002 64 S CB -0.443 62.766 63.200 0.016 0.000 0.829 64 S HN 0.984 nan 8.310 nan 0.000 0.467 65 S N 0.228 115.948 115.700 0.034 0.000 2.570 65 S HA 0.776 5.243 4.470 -0.005 0.000 0.286 65 S C -0.701 173.927 174.600 0.047 0.000 1.099 65 S CA -1.155 57.066 58.200 0.035 0.000 0.913 65 S CB 1.791 65.005 63.200 0.023 0.000 1.085 65 S HN 0.268 nan 8.310 nan 0.000 0.480 66 I N -1.146 119.453 120.570 0.049 0.000 2.957 66 I HA 0.603 4.769 4.170 -0.005 0.000 0.310 66 I C -0.881 175.256 176.117 0.033 0.000 1.063 66 I CA -1.200 60.132 61.300 0.053 0.000 1.033 66 I CB 1.189 39.234 38.000 0.076 0.000 1.230 66 I HN 0.461 nan 8.210 nan 0.000 0.447 67 N N 3.086 121.802 118.700 0.027 0.000 2.430 67 N HA 0.365 5.102 4.740 -0.005 0.000 0.265 67 N C -1.093 174.423 175.510 0.009 0.000 1.100 67 N CA -0.294 52.765 53.050 0.014 0.000 0.961 67 N CB 1.565 40.057 38.487 0.008 0.000 1.075 67 N HN 0.493 nan 8.380 nan 0.000 0.478 68 L N 3.171 124.397 121.223 0.004 0.000 2.317 68 L HA 0.530 4.867 4.340 -0.005 0.000 0.281 68 L C -0.881 175.984 176.870 -0.009 0.000 1.024 68 L CA -0.716 54.119 54.840 -0.007 0.000 0.810 68 L CB 1.616 43.672 42.059 -0.005 0.000 1.240 68 L HN 0.232 nan 8.230 nan 0.000 0.427 69 V N 4.033 123.937 119.914 -0.017 0.000 2.623 69 V HA 0.708 4.825 4.120 -0.005 0.000 0.304 69 V C 0.580 176.665 176.094 -0.015 0.000 1.054 69 V CA 0.067 62.360 62.300 -0.012 0.000 0.882 69 V CB 1.130 32.947 31.823 -0.009 0.000 1.002 69 V HN 0.928 nan 8.190 nan 0.000 0.424 70 G N 3.566 112.360 108.800 -0.009 0.000 2.179 70 G HA2 -0.209 3.748 3.960 -0.005 0.000 0.220 70 G HA3 -0.209 3.748 3.960 -0.005 0.000 0.220 70 G C 0.473 175.369 174.900 -0.007 0.000 0.990 70 G CA 0.429 45.524 45.100 -0.007 0.000 0.646 70 G HN 0.774 nan 8.290 nan 0.000 0.517 71 E N 0.631 120.827 120.200 -0.008 0.000 2.097 71 E HA -0.064 4.282 4.350 -0.005 0.000 0.196 71 E C 1.916 178.516 176.600 -0.000 0.000 1.000 71 E CA 1.534 57.931 56.400 -0.005 0.000 0.804 71 E CB -0.174 29.524 29.700 -0.002 0.000 0.740 71 E HN 0.449 nan 8.360 nan 0.000 0.454 72 E N -0.138 120.062 120.200 0.001 0.000 2.418 72 E HA -0.086 4.261 4.350 -0.005 0.000 0.197 72 E C 1.003 177.605 176.600 0.003 0.000 1.026 72 E CA 0.694 57.095 56.400 0.002 0.000 0.862 72 E CB 0.194 29.895 29.700 0.002 0.000 0.799 72 E HN 0.281 nan 8.360 nan 0.000 0.518 73 E N -0.839 119.363 120.200 0.002 0.000 2.364 73 E HA 0.311 4.657 4.350 -0.005 0.000 0.203 73 E C 0.174 176.778 176.600 0.005 0.000 0.888 73 E CA 0.479 56.881 56.400 0.004 0.000 0.989 73 E CB 0.323 30.025 29.700 0.004 0.000 0.985 73 E HN 0.141 nan 8.360 nan 0.000 0.499 74 A N 1.340 124.162 122.820 0.004 0.000 2.406 74 A HA 0.111 4.428 4.320 -0.005 0.000 0.243 74 A C -0.135 177.454 177.584 0.009 0.000 1.082 74 A CA -0.307 51.734 52.037 0.006 0.000 0.786 74 A CB -0.044 18.956 19.000 -0.001 0.000 1.029 74 A HN 0.150 nan 8.150 nan 0.000 0.495 75 D N -0.014 120.395 120.400 0.014 0.000 2.648 75 D HA -0.063 4.574 4.640 -0.005 0.000 0.229 75 D C 1.116 177.429 176.300 0.022 0.000 1.119 75 D CA 1.129 55.138 54.000 0.015 0.000 0.850 75 D CB 0.457 41.269 40.800 0.020 0.000 1.169 75 D HN 0.652 nan 8.370 nan 0.000 0.489 76 E N 2.401 122.608 120.200 0.012 0.000 2.051 76 E HA -0.229 4.118 4.350 -0.005 0.000 0.192 76 E C 1.209 177.831 176.600 0.037 0.000 0.991 76 E CA 1.402 57.812 56.400 0.016 0.000 0.799 76 E CB 0.098 29.799 29.700 0.002 0.000 0.748 76 E HN 0.630 nan 8.360 nan 0.000 0.449 77 N N -0.216 118.504 118.700 0.033 0.000 2.270 77 N HA -0.098 4.638 4.740 -0.005 0.000 0.181 77 N C 1.717 177.387 175.510 0.267 0.000 1.016 77 N CA 0.728 53.825 53.050 0.078 0.000 0.870 77 N CB -0.059 38.374 38.487 -0.090 0.000 0.979 77 N HN 0.137 nan 8.380 nan 0.000 0.431 78 A N 0.739 123.709 122.820 0.250 0.000 1.877 78 A HA -0.085 4.232 4.320 -0.005 0.000 0.216 78 A C 2.356 179.983 177.584 0.072 0.000 1.186 78 A CA 1.156 53.319 52.037 0.211 0.000 0.620 78 A CB -0.757 18.308 19.000 0.109 0.000 0.822 78 A HN 0.093 nan 8.150 nan 0.000 0.443 79 V N 0.991 120.937 119.914 0.054 0.000 2.358 79 V HA -0.239 3.878 4.120 -0.005 0.000 0.246 79 V C 2.296 178.417 176.094 0.046 0.000 1.047 79 V CA 1.997 64.314 62.300 0.028 0.000 1.035 79 V CB -0.918 30.916 31.823 0.018 0.000 0.658 79 V HN 0.558 nan 8.190 nan 0.000 0.452 80 N N 0.442 119.182 118.700 0.065 0.000 2.166 80 N HA -0.142 4.595 4.740 -0.005 0.000 0.186 80 N C 1.910 177.471 175.510 0.085 0.000 1.019 80 N CA 1.647 54.739 53.050 0.069 0.000 0.856 80 N CB -0.226 38.301 38.487 0.066 0.000 0.993 80 N HN 0.504 nan 8.380 nan 0.000 0.426 81 A N 1.221 124.105 122.820 0.106 0.000 1.898 81 A HA -0.093 4.223 4.320 -0.005 0.000 0.216 81 A C 2.247 179.869 177.584 0.064 0.000 1.181 81 A CA 0.834 52.915 52.037 0.073 0.000 0.620 81 A CB -0.646 18.350 19.000 -0.007 0.000 0.819 81 A HN 0.229 nan 8.150 nan 0.000 0.442 82 L N 0.029 121.279 121.223 0.045 0.000 2.017 82 L HA -0.148 4.189 4.340 -0.005 0.000 0.208 82 L C 2.439 179.404 176.870 0.159 0.000 1.073 82 L CA 1.997 56.890 54.840 0.089 0.000 0.745 82 L CB -0.596 41.466 42.059 0.005 0.000 0.894 82 L HN 0.346 nan 8.230 nan 0.000 0.432 83 R N -0.376 120.184 120.500 0.100 0.000 2.091 83 R HA -0.155 4.181 4.340 -0.005 0.000 0.238 83 R C 2.123 178.478 176.300 0.092 0.000 1.136 83 R CA 1.718 57.869 56.100 0.085 0.000 0.959 83 R CB -0.489 29.843 30.300 0.053 0.000 0.856 83 R HN 0.562 nan 8.270 nan 0.000 0.437 84 E N 0.043 120.303 120.200 0.100 0.000 2.085 84 E HA -0.232 4.115 4.350 -0.005 0.000 0.194 84 E C 1.805 178.469 176.600 0.108 0.000 0.994 84 E CA 1.254 57.706 56.400 0.087 0.000 0.801 84 E CB -0.241 29.512 29.700 0.089 0.000 0.743 84 E HN 0.262 nan 8.360 nan 0.000 0.453 85 F N 1.382 121.344 119.950 0.020 0.000 2.146 85 F HA -0.177 4.347 4.527 -0.005 0.000 0.298 85 F C 1.995 177.817 175.800 0.037 0.000 1.096 85 F CA 0.853 58.867 58.000 0.024 0.000 1.275 85 F CB -0.038 38.992 39.000 0.049 0.000 1.008 85 F HN -0.072 nan 8.300 nan 0.000 0.480 86 L N 0.339 121.621 121.223 0.099 0.000 2.017 86 L HA -0.187 4.150 4.340 -0.005 0.000 0.208 86 L C 2.534 179.355 176.870 -0.083 0.000 1.073 86 L CA 2.160 57.003 54.840 0.004 0.000 0.745 86 L CB -1.812 40.311 42.059 0.106 0.000 0.894 86 L HN 0.151 nan 8.230 nan 0.000 0.432 87 T N -0.198 114.331 114.554 -0.041 0.000 2.684 87 T HA -0.225 4.122 4.350 -0.005 0.000 0.267 87 T C 1.875 176.517 174.700 -0.096 0.000 1.036 87 T CA 1.560 63.630 62.100 -0.050 0.000 1.148 87 T CB -0.354 68.503 68.868 -0.018 0.000 0.863 87 T HN 0.427 nan 8.240 nan 0.000 0.436 88 A N 1.733 124.472 122.820 -0.135 0.000 2.015 88 A HA -0.016 4.301 4.320 -0.005 0.000 0.219 88 A C 1.876 179.322 177.584 -0.229 0.000 1.163 88 A CA 0.962 52.903 52.037 -0.160 0.000 0.646 88 A CB -0.259 18.657 19.000 -0.140 0.000 0.806 88 A HN 0.503 nan 8.150 nan 0.000 0.448 89 N N 0.450 118.943 118.700 -0.345 0.000 2.238 89 N HA 0.028 4.765 4.740 -0.005 0.000 0.222 89 N C -0.712 174.677 175.510 -0.202 0.000 1.133 89 N CA -0.048 52.797 53.050 -0.343 0.000 0.854 89 N CB 0.092 38.218 38.487 -0.603 0.000 1.041 89 N HN 0.386 nan 8.380 nan 0.000 0.510 90 N N 0.985 119.599 118.700 -0.144 0.000 2.740 90 N HA -0.173 4.563 4.740 -0.005 0.000 0.248 90 N C -0.783 174.690 175.510 -0.061 0.000 1.062 90 N CA 0.740 53.739 53.050 -0.085 0.000 0.704 90 N CB -1.274 37.171 38.487 -0.070 0.000 0.968 90 N HN 0.415 nan 8.380 nan 0.000 0.547 91 I N 0.482 121.016 120.570 -0.061 0.000 2.339 91 I HA 0.222 4.389 4.170 -0.005 0.000 0.290 91 I C 0.684 176.804 176.117 0.004 0.000 0.994 91 I CA -0.576 60.715 61.300 -0.013 0.000 1.191 91 I CB 1.671 39.680 38.000 0.015 0.000 1.343 91 I HN -0.075 nan 8.210 nan 0.000 0.458 92 E N 5.629 125.836 120.200 0.012 0.000 2.280 92 E HA 0.575 4.922 4.350 -0.005 0.000 0.264 92 E C -0.922 175.693 176.600 0.024 0.000 1.064 92 E CA -0.389 56.019 56.400 0.013 0.000 0.900 92 E CB 1.271 30.976 29.700 0.008 0.000 1.123 92 E HN 0.389 nan 8.360 nan 0.000 0.418 93 I N 2.926 123.508 120.570 0.020 0.000 2.362 93 I HA 0.279 4.446 4.170 -0.005 0.000 0.289 93 I C -0.055 176.071 176.117 0.015 0.000 0.994 93 I CA -0.996 60.316 61.300 0.021 0.000 1.158 93 I CB 1.366 39.378 38.000 0.019 0.000 1.315 93 I HN 0.337 nan 8.210 nan 0.000 0.451 94 N N 2.824 121.533 118.700 0.016 0.000 2.344 94 N HA -0.013 4.724 4.740 -0.005 0.000 0.236 94 N C 0.890 176.405 175.510 0.008 0.000 1.279 94 N CA 0.252 53.309 53.050 0.012 0.000 0.882 94 N CB 0.992 39.486 38.487 0.012 0.000 1.110 94 N HN 0.582 nan 8.380 nan 0.000 0.436 95 S N 0.529 116.233 115.700 0.006 0.000 2.427 95 S HA 0.064 4.530 4.470 -0.005 0.000 0.224 95 S C -0.520 174.083 174.600 0.004 0.000 1.047 95 S CA 0.429 58.632 58.200 0.005 0.000 0.953 95 S CB -0.092 63.110 63.200 0.004 0.000 0.824 95 S HN 0.660 nan 8.310 nan 0.000 0.502 96 E N 0.314 120.516 120.200 0.003 0.000 8.643 96 E HA -0.139 4.208 4.350 -0.005 0.000 0.478 96 E C -0.886 175.716 176.600 0.004 0.000 1.175 96 E CA 0.664 57.066 56.400 0.003 0.000 2.097 96 E CB -0.643 29.059 29.700 0.004 0.000 1.001 96 E HN 0.727 nan 8.360 nan 0.000 0.262 97 N N 0.438 119.140 118.700 0.003 0.000 3.449 97 N HA 0.590 5.327 4.740 -0.005 0.000 0.312 97 N C -1.023 174.489 175.510 0.003 0.000 1.582 97 N CA 0.274 53.326 53.050 0.004 0.000 0.850 97 N CB 1.010 39.498 38.487 0.002 0.000 1.822 97 N HN 0.590 nan 8.380 nan 0.000 0.577 98 D N -1.774 118.627 120.400 0.002 0.000 4.443 98 D HA -0.132 4.505 4.640 -0.005 0.000 0.302 98 D C -2.095 174.207 176.300 0.003 0.000 2.380 98 D CA 0.812 54.812 54.000 0.000 0.000 1.094 98 D CB -0.823 39.976 40.800 -0.002 0.000 1.105 98 D HN 0.519 nan 8.370 nan 0.000 1.285 99 P HA -0.104 nan 4.420 nan 0.000 0.222 99 P C 0.381 177.677 177.300 -0.006 0.000 1.242 99 P CA 1.965 65.064 63.100 -0.001 0.000 0.833 99 P CB -0.068 31.633 31.700 0.002 0.000 0.639 100 N N -4.899 113.794 118.700 -0.011 0.000 2.946 100 N HA -0.163 4.574 4.740 -0.005 0.000 0.228 100 N C -0.738 174.774 175.510 0.003 0.000 0.873 100 N CA 0.808 53.854 53.050 -0.006 0.000 1.029 100 N CB -1.714 36.773 38.487 -0.001 0.000 1.047 100 N HN 0.354 nan 8.380 nan 0.000 0.612 101 S N -0.099 115.604 115.700 0.006 0.000 2.454 101 S HA 0.506 4.973 4.470 -0.005 0.000 0.306 101 S C 0.145 174.760 174.600 0.026 0.000 1.100 101 S CA -0.795 57.419 58.200 0.023 0.000 1.087 101 S CB 2.130 65.345 63.200 0.025 0.000 1.019 101 S HN 0.100 nan 8.310 nan 0.000 0.480 102 T N 3.504 118.094 114.554 0.060 0.000 2.946 102 T HA 0.158 4.505 4.350 -0.005 0.000 0.312 102 T C 0.103 174.846 174.700 0.072 0.000 1.066 102 T CA 0.317 62.471 62.100 0.089 0.000 1.138 102 T CB -0.014 68.991 68.868 0.228 0.000 1.014 102 T HN 0.734 nan 8.240 nan 0.000 0.544 103 T N 4.317 118.902 114.554 0.051 0.000 2.809 103 T HA 0.452 4.799 4.350 -0.005 0.000 0.296 103 T C -0.199 174.520 174.700 0.031 0.000 1.015 103 T CA -0.602 61.514 62.100 0.028 0.000 0.954 103 T CB 0.605 69.473 68.868 0.000 0.000 0.950 103 T HN 0.418 nan 8.240 nan 0.000 0.450 104 L N 4.819 126.045 121.223 0.005 0.000 2.275 104 L HA 0.637 4.974 4.340 -0.005 0.000 0.288 104 L C -1.267 175.571 176.870 -0.054 0.000 1.046 104 L CA -0.811 53.996 54.840 -0.055 0.000 0.805 104 L CB 0.508 42.489 42.059 -0.131 0.000 1.193 104 L HN 0.573 nan 8.230 nan 0.000 0.426 105 I N 6.225 126.762 120.570 -0.055 0.000 2.465 105 I HA 0.492 4.659 4.170 -0.005 0.000 0.291 105 I C -0.579 175.509 176.117 -0.049 0.000 1.014 105 I CA -0.135 61.142 61.300 -0.037 0.000 1.093 105 I CB 1.903 39.895 38.000 -0.014 0.000 1.267 105 I HN 0.453 nan 8.210 nan 0.000 0.431 106 I N 4.451 124.996 120.570 -0.042 0.000 2.686 106 I HA 0.925 5.092 4.170 -0.005 0.000 0.295 106 I C -0.328 175.780 176.117 -0.014 0.000 1.114 106 I CA 0.079 61.353 61.300 -0.042 0.000 1.038 106 I CB 1.955 39.912 38.000 -0.072 0.000 1.238 106 I HN 0.739 nan 8.210 nan 0.000 0.420 107 G N 5.026 113.827 108.800 0.002 0.000 2.315 107 G HA2 0.302 4.259 3.960 -0.005 0.000 0.294 107 G HA3 0.302 4.259 3.960 -0.005 0.000 0.294 107 G C -2.031 172.888 174.900 0.032 0.000 1.300 107 G CA -0.712 44.396 45.100 0.014 0.000 0.843 107 G HN 0.530 nan 8.290 nan 0.000 0.527 108 E N -0.843 119.376 120.200 0.032 0.000 2.232 108 E HA 0.505 4.852 4.350 -0.005 0.000 0.265 108 E C 1.628 178.250 176.600 0.037 0.000 1.001 108 E CA -0.133 56.292 56.400 0.041 0.000 0.870 108 E CB 2.006 31.727 29.700 0.035 0.000 1.175 108 E HN 0.825 nan 8.360 nan 0.000 0.407 109 V N -1.102 118.837 119.914 0.041 0.000 2.392 109 V HA -0.253 3.864 4.120 -0.005 0.000 0.249 109 V C 0.988 177.096 176.094 0.023 0.000 1.059 109 V CA 1.930 64.249 62.300 0.032 0.000 1.051 109 V CB -0.420 31.422 31.823 0.031 0.000 0.658 109 V HN 0.558 nan 8.190 nan 0.000 0.455 110 D N 0.319 120.732 120.400 0.023 0.000 2.264 110 D HA -0.059 4.577 4.640 -0.005 0.000 0.208 110 D C 0.518 176.827 176.300 0.015 0.000 0.966 110 D CA 1.026 55.036 54.000 0.018 0.000 0.864 110 D CB -0.164 40.647 40.800 0.018 0.000 0.933 110 D HN 0.555 nan 8.370 nan 0.000 0.499 111 D N 1.312 121.722 120.400 0.016 0.000 2.344 111 D HA 0.129 4.766 4.640 -0.005 0.000 0.244 111 D C -0.402 175.905 176.300 0.012 0.000 1.134 111 D CA 0.187 54.195 54.000 0.013 0.000 0.930 111 D CB 0.886 41.694 40.800 0.013 0.000 1.175 111 D HN -0.152 nan 8.370 nan 0.000 0.437 112 D N 0.871 121.277 120.400 0.010 0.000 2.479 112 D HA 0.259 4.896 4.640 -0.005 0.000 0.247 112 D C -0.460 175.845 176.300 0.007 0.000 1.119 112 D CA -0.346 53.660 54.000 0.009 0.000 0.922 112 D CB 0.449 41.253 40.800 0.007 0.000 1.014 112 D HN 0.072 nan 8.370 nan 0.000 0.510 113 I N 3.194 123.769 120.570 0.008 0.000 2.354 113 I HA 0.230 4.397 4.170 -0.005 0.000 0.286 113 I C -1.582 174.539 176.117 0.007 0.000 1.007 113 I CA -2.535 58.769 61.300 0.007 0.000 1.167 113 I CB 1.472 39.476 38.000 0.006 0.000 1.320 113 I HN -0.012 nan 8.210 nan 0.000 0.458 114 P HA -0.127 nan 4.420 nan 0.000 0.215 114 P C 1.199 178.502 177.300 0.005 0.000 1.157 114 P CA 1.395 64.497 63.100 0.005 0.000 0.868 114 P CB 0.522 32.224 31.700 0.003 0.000 0.788 115 E N -0.744 119.458 120.200 0.003 0.000 2.085 115 E HA -0.184 4.163 4.350 -0.005 0.000 0.194 115 E C 1.882 178.486 176.600 0.005 0.000 0.994 115 E CA 0.810 57.211 56.400 0.002 0.000 0.801 115 E CB -1.140 28.559 29.700 -0.001 0.000 0.743 115 E HN 0.056 nan 8.360 nan 0.000 0.453 116 L N 1.299 122.527 121.223 0.007 0.000 1.971 116 L HA -0.243 4.094 4.340 -0.005 0.000 0.215 116 L C 1.473 178.353 176.870 0.016 0.000 1.072 116 L CA 2.091 56.939 54.840 0.013 0.000 0.758 116 L CB -0.754 41.314 42.059 0.015 0.000 0.889 116 L HN 0.055 nan 8.230 nan 0.000 0.433 117 D N -0.706 119.703 120.400 0.014 0.000 2.133 117 D HA -0.190 4.447 4.640 -0.005 0.000 0.195 117 D C 2.104 178.412 176.300 0.013 0.000 0.997 117 D CA 1.385 55.394 54.000 0.015 0.000 0.840 117 D CB -0.100 40.707 40.800 0.012 0.000 0.947 117 D HN 0.433 nan 8.370 nan 0.000 0.452 118 E N 0.326 120.531 120.200 0.010 0.000 2.106 118 E HA -0.073 4.274 4.350 -0.005 0.000 0.192 118 E C 2.071 178.677 176.600 0.010 0.000 0.984 118 E CA 0.954 57.359 56.400 0.007 0.000 0.806 118 E CB -0.378 29.324 29.700 0.003 0.000 0.750 118 E HN 0.295 nan 8.360 nan 0.000 0.458 119 A N 0.921 123.748 122.820 0.012 0.000 1.970 119 A HA 0.006 4.323 4.320 -0.005 0.000 0.216 119 A C 2.302 179.903 177.584 0.027 0.000 1.170 119 A CA 0.542 52.589 52.037 0.016 0.000 0.645 119 A CB -0.455 18.554 19.000 0.016 0.000 0.816 119 A HN 0.146 nan 8.150 nan 0.000 0.447 120 L N -0.700 120.540 121.223 0.029 0.000 2.240 120 L HA -0.021 4.316 4.340 -0.005 0.000 0.211 120 L C 1.005 177.894 176.870 0.031 0.000 1.106 120 L CA 0.553 55.415 54.840 0.036 0.000 0.793 120 L CB -0.546 41.535 42.059 0.038 0.000 0.927 120 L HN 0.627 nan 8.230 nan 0.000 0.446 121 N N 0.343 119.057 118.700 0.023 0.000 2.686 121 N HA -0.260 4.477 4.740 -0.005 0.000 0.261 121 N C 0.877 176.399 175.510 0.020 0.000 1.001 121 N CA 0.280 53.341 53.050 0.019 0.000 0.764 121 N CB -0.622 37.876 38.487 0.019 0.000 0.898 121 N HN 0.644 nan 8.380 nan 0.000 0.544 122 G N -0.954 107.857 108.800 0.019 0.000 2.345 122 G HA2 -0.321 3.636 3.960 -0.005 0.000 0.218 122 G HA3 -0.321 3.636 3.960 -0.005 0.000 0.218 122 G C 0.184 175.095 174.900 0.019 0.000 1.058 122 G CA 0.553 45.663 45.100 0.017 0.000 0.632 122 G HN 1.101 nan 8.290 nan 0.000 0.508 123 T N -0.421 114.148 114.554 0.024 0.000 2.919 123 T HA 0.552 4.899 4.350 -0.005 0.000 0.302 123 T C 0.002 174.720 174.700 0.029 0.000 1.031 123 T CA 1.030 63.146 62.100 0.027 0.000 1.127 123 T CB 2.142 71.031 68.868 0.035 0.000 0.952 123 T HN 1.296 nan 8.240 nan 0.000 0.540 124 T N -0.195 114.375 114.554 0.027 0.000 2.840 124 T HA 0.583 4.930 4.350 -0.005 0.000 0.317 124 T C 0.392 175.108 174.700 0.027 0.000 1.401 124 T CA -0.143 61.974 62.100 0.028 0.000 1.028 124 T CB 1.105 69.985 68.868 0.020 0.000 1.317 124 T HN 0.890 nan 8.240 nan 0.000 0.495 125 A N 1.651 124.494 122.820 0.038 0.000 2.308 125 A HA 0.304 4.621 4.320 -0.005 0.000 0.217 125 A C 1.617 179.212 177.584 0.018 0.000 1.216 125 A CA 1.003 53.065 52.037 0.041 0.000 0.864 125 A CB -0.505 18.547 19.000 0.086 0.000 0.902 125 A HN 0.877 nan 8.150 nan 0.000 0.499 126 E N 1.546 121.752 120.200 0.011 0.000 2.097 126 E HA -0.214 4.133 4.350 -0.005 0.000 0.196 126 E C 0.963 177.551 176.600 -0.020 0.000 1.000 126 E CA 2.160 58.560 56.400 0.001 0.000 0.804 126 E CB -0.352 29.348 29.700 0.001 0.000 0.740 126 E HN 0.703 nan 8.360 nan 0.000 0.454 127 N N -0.840 117.837 118.700 -0.038 0.000 2.235 127 N HA 0.213 4.950 4.740 -0.005 0.000 0.209 127 N C -0.741 174.691 175.510 -0.129 0.000 1.122 127 N CA -0.255 52.754 53.050 -0.068 0.000 0.845 127 N CB 0.477 38.928 38.487 -0.061 0.000 1.004 127 N HN 0.074 nan 8.380 nan 0.000 0.499 128 L N 0.827 121.970 121.223 -0.132 0.000 2.416 128 L HA 0.369 4.706 4.340 -0.005 0.000 0.262 128 L C 0.642 177.395 176.870 -0.194 0.000 1.093 128 L CA -1.173 53.519 54.840 -0.248 0.000 0.801 128 L CB 0.813 42.770 42.059 -0.168 0.000 1.191 128 L HN 0.109 nan 8.230 nan 0.000 0.459 129 K N 0.028 120.261 120.400 -0.279 0.000 2.156 129 K HA 0.201 4.517 4.320 -0.005 0.000 0.242 129 K C -0.479 176.103 176.600 -0.030 0.000 1.033 129 K CA -0.720 55.481 56.287 -0.143 0.000 0.878 129 K CB 0.197 32.602 32.500 -0.157 0.000 1.057 129 K HN 0.272 nan 8.250 nan 0.000 0.505 130 E N 1.011 121.216 120.200 0.008 0.000 2.467 130 E HA -0.113 4.234 4.350 -0.005 0.000 0.264 130 E C -0.492 176.185 176.600 0.128 0.000 1.020 130 E CA 0.972 57.411 56.400 0.067 0.000 0.945 130 E CB 0.048 29.787 29.700 0.065 0.000 0.942 130 E HN 0.670 nan 8.360 nan 0.000 0.449 131 E N -1.157 119.171 120.200 0.213 0.000 4.028 131 E HA -0.196 4.151 4.350 -0.005 0.000 0.343 131 E C 0.464 177.382 176.600 0.530 0.000 0.700 131 E CA 0.514 57.160 56.400 0.411 0.000 1.288 131 E CB -1.653 28.341 29.700 0.490 0.000 1.677 131 E HN 0.600 nan 8.360 nan 0.000 0.424 132 G N 0.181 109.188 108.800 0.346 0.000 2.537 132 G HA2 0.492 4.449 3.960 -0.005 0.000 0.273 132 G HA3 0.492 4.449 3.960 -0.005 0.000 0.273 132 G C -0.369 174.785 174.900 0.422 0.000 1.189 132 G CA 0.227 45.541 45.100 0.357 0.000 0.881 132 G HN 0.240 nan 8.290 nan 0.000 0.535 133 Y N -2.497 117.960 120.300 0.261 0.000 2.689 133 Y HA 0.750 5.297 4.550 -0.005 0.000 0.333 133 Y C -0.484 175.513 175.900 0.162 0.000 1.208 133 Y CA -1.541 56.673 58.100 0.191 0.000 1.055 133 Y CB 1.059 39.637 38.460 0.197 0.000 1.304 133 Y HN 0.867 nan 8.280 nan 0.000 0.455 134 A N 1.995 124.951 122.820 0.227 0.000 2.371 134 A HA 0.784 5.101 4.320 -0.005 0.000 0.311 134 A C -2.089 175.660 177.584 0.275 0.000 1.068 134 A CA -0.804 51.313 52.037 0.133 0.000 0.744 134 A CB 1.545 20.599 19.000 0.089 0.000 1.239 134 A HN 0.992 nan 8.150 nan 0.000 0.435 135 L N 2.960 124.324 121.223 0.236 0.000 2.409 135 L HA 0.751 5.088 4.340 -0.005 0.000 0.272 135 L C -1.651 175.307 176.870 0.146 0.000 0.980 135 L CA -0.605 54.367 54.840 0.220 0.000 0.826 135 L CB 1.959 44.196 42.059 0.296 0.000 1.268 135 L HN 0.463 nan 8.230 nan 0.000 0.407 136 V N 3.261 123.249 119.914 0.123 0.000 2.483 136 V HA 0.494 4.611 4.120 -0.005 0.000 0.297 136 V C -0.397 175.780 176.094 0.139 0.000 1.027 136 V CA -0.474 61.894 62.300 0.113 0.000 0.855 136 V CB 2.092 33.967 31.823 0.086 0.000 0.995 136 V HN 0.823 nan 8.190 nan 0.000 0.424 137 S N 3.629 119.430 115.700 0.169 0.000 2.474 137 S HA 0.780 5.247 4.470 -0.005 0.000 0.321 137 S C -0.716 174.060 174.600 0.294 0.000 1.080 137 S CA -0.682 57.675 58.200 0.262 0.000 1.106 137 S CB 1.307 64.660 63.200 0.255 0.000 0.984 137 S HN 0.719 nan 8.310 nan 0.000 0.464 138 N N 2.062 120.920 118.700 0.264 0.000 2.367 138 N HA 0.254 4.991 4.740 -0.005 0.000 0.278 138 N C -1.182 174.299 175.510 -0.047 0.000 1.117 138 N CA -0.138 53.003 53.050 0.153 0.000 0.867 138 N CB 1.475 40.011 38.487 0.082 0.000 1.649 138 N HN 0.795 nan 8.380 nan 0.000 0.479 139 D N 2.058 122.371 120.400 -0.145 0.000 2.702 139 D HA -0.227 4.410 4.640 -0.005 0.000 0.233 139 D C 0.670 176.644 176.300 -0.543 0.000 1.164 139 D CA 1.495 55.320 54.000 -0.293 0.000 0.638 139 D CB -1.656 39.064 40.800 -0.133 0.000 1.041 139 D HN 1.185 nan 8.370 nan 0.000 0.422 140 G N -0.602 107.423 108.800 -1.292 0.000 2.175 140 G HA2 -0.318 3.638 3.960 -0.005 0.000 0.244 140 G HA3 -0.318 3.638 3.960 -0.005 0.000 0.244 140 G C 0.191 174.818 174.900 -0.454 0.000 0.982 140 G CA 0.566 44.948 45.100 -1.197 0.000 0.641 140 G HN 0.664 nan 8.290 nan 0.000 0.527 141 K N -0.277 119.973 120.400 -0.250 0.000 2.156 141 K HA 0.742 5.058 4.320 -0.005 0.000 0.254 141 K C -0.655 176.050 176.600 0.176 0.000 0.950 141 K CA -0.796 55.491 56.287 -0.001 0.000 0.849 141 K CB 1.618 34.109 32.500 -0.015 0.000 1.100 141 K HN 0.125 nan 8.250 nan 0.000 0.434 142 I N 1.999 122.665 120.570 0.160 0.000 2.439 142 I HA 0.278 4.445 4.170 -0.005 0.000 0.285 142 I C -0.731 175.408 176.117 0.038 0.000 1.021 142 I CA -0.309 61.077 61.300 0.143 0.000 1.091 142 I CB 1.982 40.072 38.000 0.149 0.000 1.242 142 I HN 0.572 nan 8.210 nan 0.000 0.439 143 A N 7.741 130.592 122.820 0.052 0.000 2.288 143 A HA 0.873 5.190 4.320 -0.005 0.000 0.320 143 A C -0.541 177.066 177.584 0.037 0.000 1.217 143 A CA -0.385 51.669 52.037 0.029 0.000 0.840 143 A CB 0.421 19.446 19.000 0.041 0.000 1.179 143 A HN 0.663 nan 8.150 nan 0.000 0.504 144 I N 2.145 122.718 120.570 0.006 0.000 2.411 144 I HA 0.338 4.505 4.170 -0.005 0.000 0.284 144 I C -0.119 176.030 176.117 0.054 0.000 1.012 144 I CA -0.063 61.257 61.300 0.032 0.000 1.119 144 I CB 1.675 39.644 38.000 -0.052 0.000 1.261 144 I HN 0.794 nan 8.210 nan 0.000 0.448 145 E N 5.358 125.626 120.200 0.114 0.000 2.185 145 E HA 0.580 4.926 4.350 -0.005 0.000 0.261 145 E C -0.508 176.195 176.600 0.171 0.000 0.879 145 E CA -0.607 55.858 56.400 0.108 0.000 0.756 145 E CB 1.771 31.522 29.700 0.085 0.000 1.152 145 E HN 0.731 nan 8.360 nan 0.000 0.416 146 G N 2.939 111.827 108.800 0.147 0.000 2.425 146 G HA2 0.090 4.047 3.960 -0.005 0.000 0.302 146 G HA3 0.090 4.047 3.960 -0.005 0.000 0.302 146 G C 0.519 175.502 174.900 0.139 0.000 1.159 146 G CA -0.415 44.799 45.100 0.190 0.000 0.865 146 G HN 0.558 nan 8.290 nan 0.000 0.515 147 K N -0.180 120.312 120.400 0.153 0.000 2.097 147 K HA -0.011 4.306 4.320 -0.005 0.000 0.205 147 K C 0.521 177.168 176.600 0.079 0.000 1.050 147 K CA 1.935 58.281 56.287 0.098 0.000 0.938 147 K CB 0.002 32.556 32.500 0.091 0.000 0.718 147 K HN 0.735 nan 8.250 nan 0.000 0.442 148 D N -4.452 116.004 120.400 0.092 0.000 2.752 148 D HA 0.296 4.933 4.640 -0.005 0.000 0.313 148 D C 1.037 177.371 176.300 0.055 0.000 1.225 148 D CA -0.325 53.713 54.000 0.064 0.000 0.976 148 D CB 0.078 40.913 40.800 0.059 0.000 1.443 148 D HN -0.110 nan 8.370 nan 0.000 0.515 149 G N -0.712 108.103 108.800 0.025 0.000 2.422 149 G HA2 -0.241 3.716 3.960 -0.005 0.000 0.218 149 G HA3 -0.241 3.716 3.960 -0.005 0.000 0.218 149 G C 0.865 175.747 174.900 -0.030 0.000 1.146 149 G CA 0.922 46.023 45.100 0.002 0.000 0.769 149 G HN 0.508 nan 8.290 nan 0.000 0.547 150 D N 0.798 121.165 120.400 -0.055 0.000 2.104 150 D HA -0.096 4.541 4.640 -0.005 0.000 0.194 150 D C 2.667 178.866 176.300 -0.169 0.000 0.994 150 D CA 1.406 55.297 54.000 -0.181 0.000 0.830 150 D CB -0.721 40.043 40.800 -0.059 0.000 0.959 150 D HN 0.319 nan 8.370 nan 0.000 0.452 151 G N 0.154 109.016 108.800 0.103 0.000 2.418 151 G HA2 -0.239 3.718 3.960 -0.005 0.000 0.217 151 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.217 151 G C 1.698 176.702 174.900 0.173 0.000 1.158 151 G CA 1.515 46.792 45.100 0.295 0.000 0.771 151 G HN 0.234 nan 8.290 nan 0.000 0.545 152 T N 0.874 115.483 114.554 0.091 0.000 2.708 152 T HA -0.151 4.195 4.350 -0.005 0.000 0.266 152 T C 1.937 176.619 174.700 -0.031 0.000 1.037 152 T CA 1.166 63.287 62.100 0.035 0.000 1.146 152 T CB -0.342 68.548 68.868 0.037 0.000 0.865 152 T HN 0.233 nan 8.240 nan 0.000 0.435 153 F N 1.278 121.109 119.950 -0.198 0.000 2.065 153 F HA -0.220 4.303 4.527 -0.005 0.000 0.298 153 F C 2.043 177.713 175.800 -0.216 0.000 1.112 153 F CA 1.325 59.178 58.000 -0.244 0.000 1.212 153 F CB -0.507 38.278 39.000 -0.359 0.000 0.975 153 F HN 0.125 nan 8.300 nan 0.000 0.476 154 Y N 0.548 120.810 120.300 -0.064 0.000 2.274 154 Y HA -0.029 4.518 4.550 -0.005 0.000 0.290 154 Y C 2.725 178.182 175.900 -0.738 0.000 1.145 154 Y CA 0.628 58.532 58.100 -0.327 0.000 1.203 154 Y CB -1.654 36.753 38.460 -0.088 0.000 0.984 154 Y HN 0.142 nan 8.280 nan 0.000 0.533 155 G N -0.352 108.042 108.800 -0.677 0.000 2.440 155 G HA2 -0.222 3.735 3.960 -0.005 0.000 0.218 155 G HA3 -0.222 3.735 3.960 -0.005 0.000 0.218 155 G C 1.889 176.551 174.900 -0.396 0.000 1.154 155 G CA 1.436 46.060 45.100 -0.792 0.000 0.767 155 G HN 0.309 nan 8.290 nan 0.000 0.552 156 V N 0.462 120.181 119.914 -0.324 0.000 2.427 156 V HA -0.171 3.946 4.120 -0.005 0.000 0.248 156 V C 3.023 178.938 176.094 -0.299 0.000 1.051 156 V CA 1.821 63.963 62.300 -0.263 0.000 1.048 156 V CB -0.300 31.348 31.823 -0.292 0.000 0.666 156 V HN 0.296 nan 8.190 nan 0.000 0.456 157 Q N -0.128 119.422 119.800 -0.416 0.000 2.084 157 Q HA -0.167 4.170 4.340 -0.005 0.000 0.202 157 Q C 2.365 178.177 176.000 -0.314 0.000 0.978 157 Q CA 2.229 57.801 55.803 -0.384 0.000 0.844 157 Q CB -1.047 27.474 28.738 -0.362 0.000 0.898 157 Q HN 0.643 nan 8.270 nan 0.000 0.426 158 T N 1.328 115.704 114.554 -0.296 0.000 2.746 158 T HA -0.122 4.225 4.350 -0.005 0.000 0.267 158 T C 1.494 176.109 174.700 -0.143 0.000 1.039 158 T CA 1.087 63.070 62.100 -0.195 0.000 1.142 158 T CB -0.448 68.352 68.868 -0.114 0.000 0.866 158 T HN 0.262 nan 8.240 nan 0.000 0.444 159 F N 2.301 122.083 119.950 -0.281 0.000 2.126 159 F HA -0.122 4.402 4.527 -0.005 0.000 0.299 159 F C 2.065 177.612 175.800 -0.421 0.000 1.096 159 F CA 1.326 59.157 58.000 -0.280 0.000 1.255 159 F CB -0.244 38.592 39.000 -0.274 0.000 0.997 159 F HN -0.001 nan 8.300 nan 0.000 0.479 160 K N -0.196 119.779 120.400 -0.710 0.000 2.097 160 K HA -0.185 4.132 4.320 -0.005 0.000 0.206 160 K C 2.087 178.350 176.600 -0.562 0.000 1.049 160 K CA 1.779 57.404 56.287 -1.103 0.000 0.933 160 K CB -0.301 31.688 32.500 -0.853 0.000 0.717 160 K HN 0.443 nan 8.250 nan 0.000 0.442 161 Q N 0.285 119.872 119.800 -0.356 0.000 2.297 161 Q HA -0.026 4.311 4.340 -0.005 0.000 0.204 161 Q C 1.906 177.791 176.000 -0.193 0.000 0.962 161 Q CA 0.719 56.397 55.803 -0.207 0.000 0.879 161 Q CB 0.130 28.774 28.738 -0.158 0.000 0.947 161 Q HN 0.308 nan 8.270 nan 0.000 0.462 162 L N -0.120 120.946 121.223 -0.261 0.000 2.270 162 L HA 0.018 4.355 4.340 -0.005 0.000 0.210 162 L C 0.569 177.296 176.870 -0.240 0.000 1.104 162 L CA 0.093 54.807 54.840 -0.210 0.000 0.804 162 L CB 0.318 42.277 42.059 -0.167 0.000 0.937 162 L HN -0.054 nan 8.230 nan 0.000 0.450 163 V N 1.042 120.751 119.914 -0.341 0.000 2.461 163 V HA 0.157 4.274 4.120 -0.005 0.000 0.275 163 V C 0.120 176.152 176.094 -0.103 0.000 1.047 163 V CA -0.319 61.837 62.300 -0.241 0.000 0.955 163 V CB 1.125 32.786 31.823 -0.270 0.000 0.988 163 V HN 0.124 nan 8.190 nan 0.000 0.471 164 K N 4.015 124.359 120.400 -0.093 0.000 2.613 164 K HA 0.306 4.623 4.320 -0.005 0.000 0.248 164 K C -0.074 176.490 176.600 -0.060 0.000 0.959 164 K CA -0.409 55.841 56.287 -0.062 0.000 0.855 164 K CB 0.924 33.389 32.500 -0.059 0.000 1.143 164 K HN 0.781 nan 8.250 nan 0.000 0.437 165 E N 2.033 122.200 120.200 -0.055 0.000 2.791 165 E HA -0.249 4.098 4.350 -0.005 0.000 0.271 165 E C -0.418 176.154 176.600 -0.047 0.000 1.044 165 E CA 1.181 57.550 56.400 -0.051 0.000 0.814 165 E CB -1.704 27.971 29.700 -0.041 0.000 1.400 165 E HN 0.920 nan 8.360 nan 0.000 0.423 166 S N -2.588 113.081 115.700 -0.052 0.000 2.319 166 S HA -0.167 4.300 4.470 -0.005 0.000 0.253 166 S C 0.257 174.817 174.600 -0.066 0.000 1.235 166 S CA 1.085 59.264 58.200 -0.035 0.000 1.388 166 S CB -0.720 62.476 63.200 -0.008 0.000 1.723 166 S HN 0.390 nan 8.310 nan 0.000 0.611 167 N N 1.291 119.939 118.700 -0.086 0.000 2.488 167 N HA 0.578 5.315 4.740 -0.005 0.000 0.274 167 N C -0.505 174.886 175.510 -0.198 0.000 1.111 167 N CA 0.154 53.125 53.050 -0.132 0.000 0.974 167 N CB 1.026 39.461 38.487 -0.086 0.000 1.089 167 N HN 0.593 nan 8.380 nan 0.000 0.465 168 I N 3.025 123.397 120.570 -0.330 0.000 2.545 168 I HA 0.387 4.553 4.170 -0.005 0.000 0.292 168 I C -2.398 173.537 176.117 -0.304 0.000 1.040 168 I CA -2.506 58.589 61.300 -0.342 0.000 1.068 168 I CB 2.821 40.570 38.000 -0.419 0.000 1.251 168 I HN 0.270 nan 8.210 nan 0.000 0.424 169 P HA 0.104 nan 4.420 nan 0.000 0.272 169 P C -1.267 176.007 177.300 -0.045 0.000 1.223 169 P CA -0.057 62.993 63.100 -0.082 0.000 0.784 169 P CB 0.508 32.182 31.700 -0.043 0.000 0.923 170 E N 0.606 120.830 120.200 0.039 0.000 2.152 170 E HA 0.339 4.685 4.350 -0.005 0.000 0.285 170 E C -0.127 176.524 176.600 0.085 0.000 1.043 170 E CA -0.535 55.937 56.400 0.120 0.000 0.839 170 E CB 0.678 30.489 29.700 0.185 0.000 1.069 170 E HN 0.273 nan 8.360 nan 0.000 0.399 171 V N 0.673 120.641 119.914 0.091 0.000 3.114 171 V HA 0.583 4.700 4.120 -0.005 0.000 0.308 171 V C -0.996 175.146 176.094 0.080 0.000 1.168 171 V CA -1.205 61.138 62.300 0.072 0.000 1.015 171 V CB 2.421 34.279 31.823 0.058 0.000 1.050 171 V HN 0.418 nan 8.190 nan 0.000 0.433 172 N N 2.005 120.743 118.700 0.063 0.000 2.524 172 N HA 0.740 5.477 4.740 -0.005 0.000 0.261 172 N C -1.120 174.419 175.510 0.048 0.000 0.998 172 N CA -0.178 52.907 53.050 0.059 0.000 0.915 172 N CB 1.353 39.869 38.487 0.047 0.000 1.187 172 N HN 0.808 nan 8.380 nan 0.000 0.507 173 I N 0.961 121.565 120.570 0.056 0.000 2.474 173 I HA 0.471 4.638 4.170 -0.005 0.000 0.294 173 I C -0.008 176.095 176.117 -0.024 0.000 1.005 173 I CA -0.821 60.496 61.300 0.028 0.000 1.113 173 I CB 2.047 40.092 38.000 0.075 0.000 1.289 173 I HN 0.361 nan 8.210 nan 0.000 0.436 174 T N 0.607 115.121 114.554 -0.066 0.000 2.876 174 T HA 0.698 5.045 4.350 -0.005 0.000 0.289 174 T C -1.089 173.511 174.700 -0.167 0.000 1.014 174 T CA -0.686 61.347 62.100 -0.112 0.000 0.986 174 T CB 2.548 71.420 68.868 0.006 0.000 1.021 174 T HN 0.538 nan 8.240 nan 0.000 0.458 175 D N 0.874 121.105 120.400 -0.282 0.000 2.717 175 D HA 0.602 5.239 4.640 -0.005 0.000 0.223 175 D C -1.763 174.547 176.300 0.017 0.000 1.240 175 D CA -0.296 53.551 54.000 -0.254 0.000 0.801 175 D CB 1.773 42.360 40.800 -0.355 0.000 1.556 175 D HN 0.805 nan 8.370 nan 0.000 0.462 176 Y N -1.177 119.057 120.300 -0.111 0.000 2.638 176 Y HA 0.543 5.090 4.550 -0.005 0.000 0.334 176 Y C -3.078 172.115 175.900 -1.178 0.000 1.182 176 Y CA -1.836 55.991 58.100 -0.455 0.000 1.102 176 Y CB 0.741 39.044 38.460 -0.262 0.000 1.343 176 Y HN 0.061 nan 8.280 nan 0.000 0.463 177 P HA 0.188 nan 4.420 nan 0.000 0.278 177 P C 0.124 177.068 177.300 -0.594 0.000 1.238 177 P CA -0.028 62.208 63.100 -1.440 0.000 0.794 177 P CB 2.066 33.209 31.700 -0.930 0.000 0.955 178 T N 0.682 114.941 114.554 -0.492 0.000 2.701 178 T HA 0.002 4.349 4.350 -0.005 0.000 0.263 178 T C 0.911 175.495 174.700 -0.194 0.000 1.040 178 T CA 1.104 63.038 62.100 -0.277 0.000 1.147 178 T CB -0.155 68.539 68.868 -0.291 0.000 0.865 178 T HN 0.215 nan 8.240 nan 0.000 0.426 179 V N 1.873 121.670 119.914 -0.196 0.000 2.472 179 V HA 0.344 4.461 4.120 -0.005 0.000 0.290 179 V C 1.251 177.300 176.094 -0.075 0.000 1.037 179 V CA -0.307 61.933 62.300 -0.099 0.000 0.908 179 V CB 1.679 33.456 31.823 -0.077 0.000 0.985 179 V HN 0.412 nan 8.190 nan 0.000 0.454 180 S N 3.633 119.316 115.700 -0.029 0.000 2.461 180 S HA 0.169 4.636 4.470 -0.005 0.000 0.228 180 S C 0.745 175.325 174.600 -0.033 0.000 1.005 180 S CA 0.621 58.813 58.200 -0.014 0.000 0.942 180 S CB 0.082 63.295 63.200 0.021 0.000 0.776 180 S HN 1.070 nan 8.310 nan 0.000 0.514 181 A N 1.242 123.996 122.820 -0.110 0.000 2.311 181 A HA 0.794 5.111 4.320 -0.005 0.000 0.306 181 A C -0.529 176.897 177.584 -0.264 0.000 1.189 181 A CA -0.916 50.925 52.037 -0.327 0.000 0.791 181 A CB 0.840 19.306 19.000 -0.890 0.000 1.172 181 A HN 0.491 nan 8.150 nan 0.000 0.481 182 R N 2.040 122.458 120.500 -0.137 0.000 2.483 182 R HA 0.667 5.004 4.340 -0.005 0.000 0.303 182 R C 0.193 176.468 176.300 -0.041 0.000 0.987 182 R CA -0.115 55.987 56.100 0.004 0.000 0.881 182 R CB 2.236 32.581 30.300 0.075 0.000 1.177 182 R HN 1.031 nan 8.270 nan 0.000 0.451 183 G N 2.046 110.814 108.800 -0.054 0.000 2.500 183 G HA2 0.466 4.423 3.960 -0.005 0.000 0.299 183 G HA3 0.466 4.423 3.960 -0.005 0.000 0.299 183 G C -1.809 172.996 174.900 -0.159 0.000 1.242 183 G CA -0.500 44.513 45.100 -0.145 0.000 0.859 183 G HN 0.230 nan 8.290 nan 0.000 0.481 184 I N 0.091 120.555 120.570 -0.178 0.000 2.509 184 I HA 0.588 4.755 4.170 -0.005 0.000 0.293 184 I C -0.282 175.756 176.117 -0.131 0.000 1.020 184 I CA -1.061 60.181 61.300 -0.096 0.000 1.088 184 I CB 1.948 39.990 38.000 0.070 0.000 1.267 184 I HN 0.369 nan 8.210 nan 0.000 0.430 185 V N 6.160 125.872 119.914 -0.337 0.000 2.347 185 V HA 0.402 4.519 4.120 -0.005 0.000 0.280 185 V C 0.061 175.823 176.094 -0.553 0.000 1.021 185 V CA -0.362 61.612 62.300 -0.544 0.000 0.847 185 V CB 1.369 32.638 31.823 -0.923 0.000 0.990 185 V HN 0.849 nan 8.190 nan 0.000 0.444 186 E N 4.900 124.763 120.200 -0.563 0.000 1.814 186 E HA 0.345 4.691 4.350 -0.005 0.000 0.264 186 E C 0.752 176.820 176.600 -0.887 0.000 1.179 186 E CA 0.329 56.282 56.400 -0.746 0.000 0.972 186 E CB 0.227 29.478 29.700 -0.749 0.000 1.077 186 E HN 0.940 nan 8.360 nan 0.000 0.417 187 G N 4.262 112.640 108.800 -0.704 0.000 3.863 187 G HA2 0.121 4.078 3.960 -0.005 0.000 0.290 187 G HA3 0.121 4.078 3.960 -0.005 0.000 0.290 187 G C -0.181 174.563 174.900 -0.260 0.000 1.018 187 G CA -0.422 44.407 45.100 -0.451 0.000 0.824 187 G HN 0.406 nan 8.290 nan 0.000 0.507 188 F N -0.989 118.809 119.950 -0.252 0.000 2.380 188 F HA 0.789 5.313 4.527 -0.005 0.000 0.321 188 F C -0.169 175.507 175.800 -0.207 0.000 1.103 188 F CA -2.620 55.296 58.000 -0.140 0.000 1.067 188 F CB 0.485 39.423 39.000 -0.103 0.000 1.265 188 F HN -0.041 nan 8.300 nan 0.000 0.517 189 Y N 0.589 121.040 120.300 0.252 0.000 2.301 189 Y HA 0.545 5.092 4.550 -0.005 0.000 0.328 189 Y C 0.916 176.987 175.900 0.284 0.000 1.242 189 Y CA 0.494 58.702 58.100 0.180 0.000 1.323 189 Y CB 0.996 39.543 38.460 0.145 0.000 1.266 189 Y HN 1.100 nan 8.280 nan 0.000 0.527 190 G N 0.152 109.166 108.800 0.356 0.000 2.434 190 G HA2 -0.136 3.821 3.960 -0.005 0.000 0.671 190 G HA3 -0.136 3.821 3.960 -0.005 0.000 0.671 190 G C -0.965 174.088 174.900 0.255 0.000 1.280 190 G CA -1.020 44.242 45.100 0.271 0.000 0.975 190 G HN 0.565 nan 8.290 nan 0.000 0.510 191 T N 3.526 118.205 114.554 0.208 0.000 2.792 191 T HA 0.415 4.762 4.350 -0.005 0.000 0.286 191 T C -1.822 173.071 174.700 0.322 0.000 0.970 191 T CA 0.497 62.721 62.100 0.206 0.000 1.187 191 T CB 0.602 69.566 68.868 0.159 0.000 0.915 191 T HN 0.519 nan 8.240 nan 0.000 0.529 192 P HA 0.128 nan 4.420 nan 0.000 0.272 192 P C -0.108 177.426 177.300 0.389 0.000 1.230 192 P CA -0.795 62.414 63.100 0.181 0.000 0.788 192 P CB 0.432 32.160 31.700 0.047 0.000 0.949 193 W N 1.271 122.744 121.300 0.288 0.000 2.231 193 W HA 0.067 4.724 4.660 -0.005 0.000 0.341 193 W C 1.074 177.706 176.519 0.189 0.000 1.298 193 W CA -0.150 57.336 57.345 0.236 0.000 1.266 193 W CB -0.963 28.641 29.460 0.241 0.000 1.172 193 W HN 0.340 nan 8.180 nan 0.000 0.568 194 T N -1.019 113.750 114.554 0.359 0.000 2.802 194 T HA -0.074 4.273 4.350 -0.005 0.000 0.305 194 T C 1.107 175.970 174.700 0.273 0.000 1.053 194 T CA 0.262 62.520 62.100 0.262 0.000 1.058 194 T CB 0.820 69.787 68.868 0.165 0.000 0.988 194 T HN 0.510 nan 8.240 nan 0.000 0.539 195 H N 0.708 119.871 119.070 0.156 0.000 2.319 195 H HA -0.082 4.471 4.556 -0.005 0.000 0.299 195 H C 2.248 177.618 175.328 0.070 0.000 1.092 195 H CA 2.281 58.405 56.048 0.126 0.000 1.302 195 H CB -0.282 29.535 29.762 0.092 0.000 1.373 195 H HN 0.626 nan 8.280 nan 0.000 0.497 196 Q N 0.416 120.211 119.800 -0.010 0.000 2.096 196 Q HA -0.124 4.212 4.340 -0.005 0.000 0.204 196 Q C 1.940 177.857 176.000 -0.138 0.000 0.982 196 Q CA 1.680 57.420 55.803 -0.104 0.000 0.850 196 Q CB -0.379 28.338 28.738 -0.034 0.000 0.901 196 Q HN 0.565 nan 8.270 nan 0.000 0.422 197 D N -0.349 119.994 120.400 -0.096 0.000 2.133 197 D HA -0.192 4.445 4.640 -0.005 0.000 0.192 197 D C 1.887 178.039 176.300 -0.247 0.000 1.001 197 D CA 1.339 55.215 54.000 -0.206 0.000 0.844 197 D CB -0.126 40.571 40.800 -0.173 0.000 0.944 197 D HN 0.223 nan 8.370 nan 0.000 0.447 198 R N -0.146 120.309 120.500 -0.075 0.000 2.075 198 R HA 0.025 4.362 4.340 -0.005 0.000 0.232 198 R C 2.615 178.788 176.300 -0.211 0.000 1.126 198 R CA 0.496 56.564 56.100 -0.054 0.000 0.963 198 R CB -0.306 30.087 30.300 0.156 0.000 0.858 198 R HN 0.220 nan 8.270 nan 0.000 0.435 199 L N 0.364 121.441 121.223 -0.243 0.000 2.046 199 L HA -0.213 4.124 4.340 -0.005 0.000 0.208 199 L C 2.098 178.842 176.870 -0.210 0.000 1.077 199 L CA 1.592 56.294 54.840 -0.230 0.000 0.747 199 L CB -0.427 41.472 42.059 -0.266 0.000 0.896 199 L HN 0.225 nan 8.230 nan 0.000 0.432 200 D N -1.218 119.045 120.400 -0.228 0.000 2.149 200 D HA -0.188 4.449 4.640 -0.005 0.000 0.201 200 D C 2.272 178.407 176.300 -0.274 0.000 0.972 200 D CA 0.766 54.637 54.000 -0.216 0.000 0.835 200 D CB 0.223 40.890 40.800 -0.223 0.000 0.966 200 D HN 0.145 nan 8.370 nan 0.000 0.476 201 Q N 0.175 119.730 119.800 -0.408 0.000 2.020 201 Q HA -0.137 4.200 4.340 -0.005 0.000 0.202 201 Q C 2.594 178.007 176.000 -0.978 0.000 0.982 201 Q CA 0.998 56.422 55.803 -0.632 0.000 0.838 201 Q CB -0.368 27.992 28.738 -0.630 0.000 0.899 201 Q HN 0.500 nan 8.270 nan 0.000 0.423 202 I N 0.859 121.028 120.570 -0.667 0.000 2.194 202 I HA -0.324 3.843 4.170 -0.005 0.000 0.246 202 I C 2.345 178.370 176.117 -0.154 0.000 1.093 202 I CA 1.393 62.461 61.300 -0.386 0.000 1.355 202 I CB -0.242 37.680 38.000 -0.131 0.000 1.046 202 I HN 0.162 nan 8.210 nan 0.000 0.413 203 K N 0.072 120.408 120.400 -0.106 0.000 2.057 203 K HA -0.199 4.118 4.320 -0.005 0.000 0.207 203 K C 2.138 178.776 176.600 0.064 0.000 1.049 203 K CA 1.552 57.847 56.287 0.013 0.000 0.931 203 K CB -0.353 32.151 32.500 0.008 0.000 0.714 203 K HN 0.151 nan 8.250 nan 0.000 0.440 204 F N 1.162 121.021 119.950 -0.151 0.000 2.126 204 F HA -0.274 4.250 4.527 -0.005 0.000 0.299 204 F C 1.765 177.630 175.800 0.108 0.000 1.096 204 F CA 1.446 59.409 58.000 -0.063 0.000 1.255 204 F CB -0.318 38.607 39.000 -0.126 0.000 0.997 204 F HN 0.001 nan 8.300 nan 0.000 0.479 205 Y N 0.630 120.911 120.300 -0.031 0.000 2.128 205 Y HA -0.055 4.492 4.550 -0.005 0.000 0.284 205 Y C 2.868 178.755 175.900 -0.021 0.000 1.154 205 Y CA 0.578 58.630 58.100 -0.080 0.000 1.149 205 Y CB -1.752 36.754 38.460 0.076 0.000 0.976 205 Y HN 0.113 nan 8.280 nan 0.000 0.505 206 G N 0.052 109.008 108.800 0.260 0.000 2.529 206 G HA2 -0.308 3.649 3.960 -0.005 0.000 0.219 206 G HA3 -0.308 3.649 3.960 -0.005 0.000 0.219 206 G C 1.499 176.514 174.900 0.192 0.000 1.177 206 G CA 1.319 46.644 45.100 0.376 0.000 0.773 206 G HN 0.488 nan 8.290 nan 0.000 0.573 207 E N 0.365 120.573 120.200 0.014 0.000 2.268 207 E HA -0.037 4.310 4.350 -0.005 0.000 0.195 207 E C 1.360 177.831 176.600 -0.214 0.000 0.995 207 E CA 0.638 56.973 56.400 -0.109 0.000 0.836 207 E CB 0.021 29.680 29.700 -0.068 0.000 0.763 207 E HN 0.414 nan 8.360 nan 0.000 0.491 208 N N 0.393 118.923 118.700 -0.283 0.000 2.234 208 N HA 0.076 4.813 4.740 -0.005 0.000 0.227 208 N C -0.655 174.625 175.510 -0.383 0.000 1.151 208 N CA 0.087 52.902 53.050 -0.391 0.000 0.865 208 N CB 0.768 38.929 38.487 -0.543 0.000 1.066 208 N HN 0.023 nan 8.380 nan 0.000 0.515 209 K N 0.461 120.672 120.400 -0.314 0.000 3.129 209 K HA -0.161 4.156 4.320 -0.005 0.000 0.273 209 K C -0.524 175.934 176.600 -0.237 0.000 1.123 209 K CA 0.496 56.463 56.287 -0.534 0.000 0.800 209 K CB -1.716 30.036 32.500 -1.246 0.000 1.238 209 K HN 0.255 nan 8.250 nan 0.000 0.492 210 L N 1.565 122.760 121.223 -0.047 0.000 2.326 210 L HA 0.157 4.494 4.340 -0.005 0.000 0.278 210 L C 1.284 178.233 176.870 0.132 0.000 1.092 210 L CA -0.418 54.429 54.840 0.011 0.000 0.810 210 L CB 0.666 42.672 42.059 -0.087 0.000 1.153 210 L HN 0.223 nan 8.230 nan 0.000 0.439 211 N N -0.516 118.256 118.700 0.119 0.000 2.200 211 N HA 0.068 4.805 4.740 -0.005 0.000 0.224 211 N C -0.481 175.096 175.510 0.111 0.000 1.179 211 N CA -0.322 52.835 53.050 0.177 0.000 0.877 211 N CB 0.890 39.515 38.487 0.230 0.000 1.072 211 N HN 0.394 nan 8.380 nan 0.000 0.519 212 T N 0.613 115.201 114.554 0.057 0.000 2.928 212 T HA 0.240 4.587 4.350 -0.005 0.000 0.296 212 T C -2.159 172.607 174.700 0.111 0.000 1.000 212 T CA -0.459 61.667 62.100 0.043 0.000 0.989 212 T CB 1.357 70.156 68.868 -0.116 0.000 1.005 212 T HN 0.176 nan 8.240 nan 0.000 0.442 213 Y N 4.345 124.671 120.300 0.043 0.000 2.326 213 Y HA 0.647 5.194 4.550 -0.005 0.000 0.329 213 Y C -1.245 174.594 175.900 -0.102 0.000 0.973 213 Y CA -1.581 56.543 58.100 0.041 0.000 1.162 213 Y CB 0.647 39.260 38.460 0.255 0.000 1.147 213 Y HN 0.592 nan 8.280 nan 0.000 0.456 214 I N 7.607 127.809 120.570 -0.613 0.000 2.312 214 I HA 0.136 4.303 4.170 -0.005 0.000 0.290 214 I C -1.013 174.521 176.117 -0.972 0.000 1.008 214 I CA -0.945 59.973 61.300 -0.636 0.000 1.226 214 I CB 0.821 38.656 38.000 -0.275 0.000 1.371 214 I HN 0.639 nan 8.210 nan 0.000 0.468 215 Y N 7.007 126.684 120.300 -1.039 0.000 2.556 215 Y HA 0.493 5.040 4.550 -0.005 0.000 0.352 215 Y C 0.345 175.910 175.900 -0.559 0.000 1.006 215 Y CA -0.352 57.273 58.100 -0.791 0.000 1.277 215 Y CB 0.675 38.792 38.460 -0.572 0.000 1.136 215 Y HN 0.636 nan 8.280 nan 0.000 0.523 216 A N 7.825 130.042 122.820 -1.006 0.000 3.165 216 A HA 0.335 4.652 4.320 -0.005 0.000 0.212 216 A C -3.049 173.813 177.584 -1.203 0.000 0.935 216 A CA -1.000 50.374 52.037 -1.105 0.000 1.100 216 A CB -0.196 18.595 19.000 -0.348 0.000 1.260 216 A HN 0.484 nan 8.150 nan 0.000 0.532 217 P HA 0.122 nan 4.420 nan 0.000 0.276 217 P C 0.598 177.528 177.300 -0.616 0.000 1.243 217 P CA 0.088 62.618 63.100 -0.951 0.000 0.768 217 P CB 1.161 32.367 31.700 -0.823 0.000 0.856 218 K N 2.033 122.112 120.400 -0.535 0.000 2.160 218 K HA -0.132 4.185 4.320 -0.005 0.000 0.206 218 K C 0.556 177.074 176.600 -0.137 0.000 1.047 218 K CA 1.537 57.606 56.287 -0.363 0.000 0.930 218 K CB -0.208 31.787 32.500 -0.842 0.000 0.720 218 K HN 0.516 nan 8.250 nan 0.000 0.450 219 D N 0.830 121.160 120.400 -0.117 0.000 2.368 219 D HA -0.039 4.598 4.640 -0.005 0.000 0.218 219 D C -0.139 176.181 176.300 0.033 0.000 1.112 219 D CA 0.013 54.018 54.000 0.009 0.000 0.834 219 D CB 0.039 40.882 40.800 0.070 0.000 0.953 219 D HN 0.102 nan 8.370 nan 0.000 0.505 220 D N 1.487 121.902 120.400 0.024 0.000 2.344 220 D HA 0.043 4.679 4.640 -0.005 0.000 0.253 220 D C -1.536 174.857 176.300 0.155 0.000 1.255 220 D CA -1.874 52.222 54.000 0.161 0.000 0.894 220 D CB 1.693 42.650 40.800 0.262 0.000 1.067 220 D HN -0.132 nan 8.370 nan 0.000 0.492 221 P HA -0.203 nan 4.420 nan 0.000 0.216 221 P C 0.693 177.882 177.300 -0.185 0.000 1.157 221 P CA 1.430 64.440 63.100 -0.149 0.000 0.880 221 P CB -0.123 31.346 31.700 -0.386 0.000 0.791 222 Y N -2.614 117.683 120.300 -0.005 0.000 2.632 222 Y HA -0.105 4.442 4.550 -0.005 0.000 0.301 222 Y C 2.574 178.498 175.900 0.040 0.000 1.172 222 Y CA 0.769 58.769 58.100 -0.167 0.000 1.328 222 Y CB -0.997 37.022 38.460 -0.736 0.000 1.016 222 Y HN 0.252 nan 8.280 nan 0.000 0.529 223 H N -0.370 118.814 119.070 0.191 0.000 2.520 223 H HA 0.132 4.685 4.556 -0.005 0.000 0.279 223 H C 1.897 177.263 175.328 0.064 0.000 0.990 223 H CA 1.001 57.140 56.048 0.150 0.000 1.288 223 H CB 0.607 30.420 29.762 0.085 0.000 1.446 223 H HN 0.352 nan 8.280 nan 0.000 0.538 224 R N -0.470 120.018 120.500 -0.020 0.000 4.897 224 R HA 0.004 4.341 4.340 -0.005 0.000 0.090 224 R C 1.996 178.345 176.300 0.083 0.000 0.661 224 R CA 0.314 56.383 56.100 -0.051 0.000 1.205 224 R CB 0.038 30.306 30.300 -0.053 0.000 1.492 224 R HN 0.059 nan 8.270 nan 0.000 0.398 225 E N 1.082 121.299 120.200 0.028 0.000 2.097 225 E HA -0.177 4.170 4.350 -0.005 0.000 0.196 225 E C -0.102 176.458 176.600 -0.067 0.000 1.000 225 E CA 1.328 57.724 56.400 -0.006 0.000 0.804 225 E CB 0.249 29.924 29.700 -0.042 0.000 0.740 225 E HN 0.177 nan 8.360 nan 0.000 0.454 226 K N 0.543 120.857 120.400 -0.144 0.000 3.202 226 K HA 0.086 4.403 4.320 -0.005 0.000 0.206 226 K C 0.846 177.304 176.600 -0.237 0.000 1.142 226 K CA -0.352 55.772 56.287 -0.272 0.000 0.979 226 K CB 0.126 32.376 32.500 -0.416 0.000 0.863 226 K HN 0.335 nan 8.250 nan 0.000 0.479 227 W N 0.826 122.027 121.300 -0.166 0.000 2.364 227 W HA -0.171 4.485 4.660 -0.005 0.000 0.281 227 W C 0.754 177.209 176.519 -0.107 0.000 1.219 227 W CA 0.472 57.733 57.345 -0.140 0.000 1.220 227 W CB -0.503 28.839 29.460 -0.198 0.000 1.127 227 W HN 0.093 nan 8.180 nan 0.000 0.556 228 R N 0.942 120.919 120.500 -0.871 0.000 2.148 228 R HA 0.011 4.348 4.340 -0.005 0.000 0.223 228 R C 0.558 176.640 176.300 -0.363 0.000 1.088 228 R CA 0.754 56.324 56.100 -0.884 0.000 0.985 228 R CB -0.211 29.225 30.300 -1.440 0.000 0.880 228 R HN 0.225 nan 8.270 nan 0.000 0.451 229 E N 2.161 122.223 120.200 -0.230 0.000 2.289 229 E HA 0.118 4.465 4.350 -0.005 0.000 0.278 229 E C -2.273 174.365 176.600 0.062 0.000 1.032 229 E CA -2.211 54.161 56.400 -0.046 0.000 0.854 229 E CB 0.854 30.566 29.700 0.019 0.000 1.046 229 E HN -0.001 nan 8.360 nan 0.000 0.409 230 P HA -0.080 nan 4.420 nan 0.000 0.268 230 P C -0.902 176.267 177.300 -0.217 0.000 1.205 230 P CA 0.221 63.313 63.100 -0.014 0.000 0.771 230 P CB 0.313 32.024 31.700 0.018 0.000 0.858 231 Y N 2.983 123.137 120.300 -0.242 0.000 2.712 231 Y HA 0.050 4.596 4.550 -0.005 0.000 0.333 231 Y C -1.114 174.587 175.900 -0.332 0.000 1.225 231 Y CA -0.792 57.016 58.100 -0.487 0.000 1.499 231 Y CB -1.133 37.162 38.460 -0.275 0.000 1.288 231 Y HN 0.373 nan 8.280 nan 0.000 0.575 232 P HA -0.008 nan 4.420 nan 0.000 0.272 232 P C 0.521 177.795 177.300 -0.043 0.000 1.240 232 P CA -0.204 62.843 63.100 -0.087 0.000 0.791 232 P CB 0.870 32.533 31.700 -0.062 0.000 0.978 233 E N 1.388 121.570 120.200 -0.031 0.000 2.049 233 E HA -0.225 4.121 4.350 -0.005 0.000 0.198 233 E C 1.704 178.275 176.600 -0.048 0.000 1.007 233 E CA 2.571 58.951 56.400 -0.034 0.000 0.809 233 E CB -0.961 28.725 29.700 -0.024 0.000 0.749 233 E HN 0.443 nan 8.360 nan 0.000 0.450 234 S N 0.094 115.769 115.700 -0.041 0.000 2.382 234 S HA -0.138 4.328 4.470 -0.005 0.000 0.228 234 S C 1.873 176.425 174.600 -0.080 0.000 1.027 234 S CA 1.057 59.225 58.200 -0.054 0.000 0.991 234 S CB -0.362 62.818 63.200 -0.033 0.000 0.823 234 S HN 0.169 nan 8.310 nan 0.000 0.469 235 E N 1.220 121.386 120.200 -0.057 0.000 2.077 235 E HA -0.032 4.315 4.350 -0.005 0.000 0.193 235 E C 2.074 178.575 176.600 -0.164 0.000 0.989 235 E CA 0.983 57.339 56.400 -0.075 0.000 0.800 235 E CB -0.325 29.391 29.700 0.026 0.000 0.746 235 E HN 0.448 nan 8.360 nan 0.000 0.452 236 M N 0.388 119.904 119.600 -0.140 0.000 2.159 236 M HA -0.154 4.323 4.480 -0.005 0.000 0.263 236 M C 2.125 178.326 176.300 -0.165 0.000 1.063 236 M CA 1.268 56.466 55.300 -0.171 0.000 1.110 236 M CB -0.963 31.572 32.600 -0.108 0.000 1.374 236 M HN 0.058 nan 8.290 nan 0.000 0.411 237 Q N 0.605 120.325 119.800 -0.133 0.000 2.124 237 Q HA -0.118 4.219 4.340 -0.005 0.000 0.202 237 Q C 2.106 178.010 176.000 -0.159 0.000 0.977 237 Q CA 1.559 57.287 55.803 -0.124 0.000 0.850 237 Q CB -0.162 28.516 28.738 -0.099 0.000 0.901 237 Q HN 0.475 nan 8.270 nan 0.000 0.429 238 R N -0.811 119.551 120.500 -0.230 0.000 2.075 238 R HA -0.047 4.290 4.340 -0.005 0.000 0.232 238 R C 2.420 178.639 176.300 -0.134 0.000 1.126 238 R CA 1.406 57.292 56.100 -0.357 0.000 0.963 238 R CB -0.172 29.826 30.300 -0.504 0.000 0.858 238 R HN 0.234 nan 8.270 nan 0.000 0.435 239 M N 0.340 119.820 119.600 -0.200 0.000 2.108 239 M HA -0.194 4.282 4.480 -0.005 0.000 0.261 239 M C 2.272 178.398 176.300 -0.289 0.000 1.066 239 M CA 1.637 56.771 55.300 -0.278 0.000 1.107 239 M CB -0.755 31.605 32.600 -0.400 0.000 1.356 239 M HN 0.078 nan 8.290 nan 0.000 0.406 240 Q N 0.914 120.585 119.800 -0.215 0.000 2.077 240 Q HA -0.190 4.147 4.340 -0.005 0.000 0.206 240 Q C 1.743 177.665 176.000 -0.130 0.000 0.989 240 Q CA 2.103 57.800 55.803 -0.177 0.000 0.853 240 Q CB -0.197 28.466 28.738 -0.125 0.000 0.907 240 Q HN 0.565 nan 8.270 nan 0.000 0.418 241 E N -0.426 119.743 120.200 -0.052 0.000 2.085 241 E HA -0.185 4.162 4.350 -0.005 0.000 0.194 241 E C 2.017 178.621 176.600 0.006 0.000 0.994 241 E CA 1.275 57.691 56.400 0.027 0.000 0.801 241 E CB -0.186 29.619 29.700 0.175 0.000 0.743 241 E HN 0.383 nan 8.360 nan 0.000 0.453 242 L N 0.420 121.644 121.223 0.002 0.000 2.046 242 L HA -0.181 4.155 4.340 -0.005 0.000 0.208 242 L C 2.437 179.213 176.870 -0.156 0.000 1.077 242 L CA 0.954 55.783 54.840 -0.018 0.000 0.747 242 L CB -0.366 41.736 42.059 0.071 0.000 0.896 242 L HN 0.184 nan 8.230 nan 0.000 0.432 243 I N -0.063 120.278 120.570 -0.381 0.000 2.202 243 I HA -0.269 3.898 4.170 -0.005 0.000 0.242 243 I C 2.249 178.271 176.117 -0.159 0.000 1.091 243 I CA 1.047 62.112 61.300 -0.393 0.000 1.368 243 I CB -0.356 37.368 38.000 -0.460 0.000 1.058 243 I HN 0.308 nan 8.210 nan 0.000 0.410 244 N N 1.159 119.785 118.700 -0.123 0.000 2.120 244 N HA -0.138 4.599 4.740 -0.005 0.000 0.188 244 N C 1.913 177.397 175.510 -0.043 0.000 1.024 244 N CA 1.674 54.681 53.050 -0.073 0.000 0.852 244 N CB -0.515 37.936 38.487 -0.059 0.000 1.003 244 N HN 0.355 nan 8.380 nan 0.000 0.424 245 A N 0.613 123.416 122.820 -0.029 0.000 1.902 245 A HA -0.095 4.222 4.320 -0.005 0.000 0.217 245 A C 2.476 180.070 177.584 0.016 0.000 1.181 245 A CA 1.758 53.789 52.037 -0.009 0.000 0.623 245 A CB -0.717 18.273 19.000 -0.017 0.000 0.818 245 A HN 0.274 nan 8.150 nan 0.000 0.443 246 S N 0.039 115.771 115.700 0.054 0.000 2.359 246 S HA -0.091 4.376 4.470 -0.005 0.000 0.224 246 S C 2.315 176.934 174.600 0.032 0.000 1.035 246 S CA 1.291 59.560 58.200 0.116 0.000 1.018 246 S CB -0.529 62.824 63.200 0.255 0.000 0.876 246 S HN 0.818 nan 8.310 nan 0.000 0.448 247 A N 1.670 124.483 122.820 -0.011 0.000 1.902 247 A HA -0.160 4.157 4.320 -0.005 0.000 0.217 247 A C 1.964 179.475 177.584 -0.122 0.000 1.181 247 A CA 1.535 53.536 52.037 -0.061 0.000 0.623 247 A CB -0.575 18.390 19.000 -0.059 0.000 0.818 247 A HN 0.589 nan 8.150 nan 0.000 0.443 248 E N -0.041 120.105 120.200 -0.090 0.000 2.268 248 E HA -0.084 4.262 4.350 -0.005 0.000 0.195 248 E C 0.578 177.059 176.600 -0.198 0.000 0.995 248 E CA 0.846 57.188 56.400 -0.098 0.000 0.836 248 E CB -0.091 29.599 29.700 -0.016 0.000 0.763 248 E HN 0.546 nan 8.360 nan 0.000 0.491 249 N N 0.523 119.113 118.700 -0.184 0.000 2.238 249 N HA 0.028 4.765 4.740 -0.005 0.000 0.222 249 N C -0.528 174.727 175.510 -0.426 0.000 1.133 249 N CA 0.065 52.992 53.050 -0.206 0.000 0.854 249 N CB 0.796 39.356 38.487 0.121 0.000 1.041 249 N HN -0.081 nan 8.380 nan 0.000 0.510 250 K N -0.256 119.819 120.400 -0.542 0.000 3.088 250 K HA -0.121 4.196 4.320 -0.005 0.000 0.273 250 K C -0.547 176.030 176.600 -0.039 0.000 1.111 250 K CA 0.323 56.388 56.287 -0.371 0.000 0.803 250 K CB -2.359 29.768 32.500 -0.623 0.000 1.226 250 K HN 0.052 nan 8.250 nan 0.000 0.485 251 V N 1.590 121.530 119.914 0.042 0.000 2.427 251 V HA 0.161 4.278 4.120 -0.005 0.000 0.286 251 V C 0.584 176.781 176.094 0.171 0.000 1.034 251 V CA -0.782 61.619 62.300 0.168 0.000 0.893 251 V CB 1.695 33.679 31.823 0.267 0.000 0.982 251 V HN 0.062 nan 8.190 nan 0.000 0.452 252 D N 4.197 124.697 120.400 0.168 0.000 2.338 252 D HA 0.124 4.761 4.640 -0.005 0.000 0.255 252 D C -0.312 176.129 176.300 0.235 0.000 1.237 252 D CA 0.188 54.291 54.000 0.172 0.000 0.883 252 D CB 0.803 41.682 40.800 0.131 0.000 1.087 252 D HN 0.431 nan 8.370 nan 0.000 0.485 253 F N 3.284 123.306 119.950 0.119 0.000 2.471 253 F HA 0.159 4.683 4.527 -0.005 0.000 0.365 253 F C -0.309 175.517 175.800 0.042 0.000 1.095 253 F CA -0.447 57.639 58.000 0.143 0.000 1.174 253 F CB 0.591 39.671 39.000 0.132 0.000 1.105 253 F HN -0.009 nan 8.300 nan 0.000 0.535 254 V N 8.360 128.095 119.914 -0.299 0.000 2.357 254 V HA 0.172 4.289 4.120 -0.005 0.000 0.284 254 V C -0.549 175.384 176.094 -0.268 0.000 1.018 254 V CA -0.805 61.380 62.300 -0.192 0.000 0.841 254 V CB 1.001 32.775 31.823 -0.082 0.000 0.991 254 V HN 0.613 nan 8.190 nan 0.000 0.437 255 F N 4.576 124.391 119.950 -0.225 0.000 2.390 255 F HA 0.710 5.234 4.527 -0.005 0.000 0.361 255 F C 0.834 176.668 175.800 0.055 0.000 1.124 255 F CA -0.576 57.414 58.000 -0.017 0.000 1.149 255 F CB 0.588 39.666 39.000 0.128 0.000 1.160 255 F HN 0.552 nan 8.300 nan 0.000 0.501 256 G N 6.465 114.975 108.800 -0.483 0.000 2.395 256 G HA2 0.508 4.465 3.960 -0.005 0.000 0.283 256 G HA3 0.508 4.465 3.960 -0.005 0.000 0.283 256 G C -1.575 173.012 174.900 -0.522 0.000 1.178 256 G CA -0.534 44.307 45.100 -0.432 0.000 0.837 256 G HN 0.755 nan 8.290 nan 0.000 0.518 257 I N 0.133 120.379 120.570 -0.540 0.000 2.582 257 I HA 0.534 4.701 4.170 -0.005 0.000 0.292 257 I C -0.311 175.359 176.117 -0.745 0.000 1.066 257 I CA -0.464 60.470 61.300 -0.610 0.000 1.053 257 I CB 2.479 40.225 38.000 -0.424 0.000 1.241 257 I HN 0.307 nan 8.210 nan 0.000 0.421 258 S N 8.433 123.602 115.700 -0.886 0.000 2.252 258 S HA 0.388 4.855 4.470 -0.005 0.000 0.187 258 S C -2.200 171.920 174.600 -0.801 0.000 1.587 258 S CA -0.706 57.044 58.200 -0.749 0.000 1.215 258 S CB 0.816 63.680 63.200 -0.560 0.000 1.085 258 S HN 0.581 nan 8.310 nan 0.000 0.466 259 P HA 0.188 nan 4.420 nan 0.000 0.261 259 P C 1.297 178.118 177.300 -0.800 0.000 1.268 259 P CA 0.036 62.106 63.100 -1.715 0.000 0.833 259 P CB 0.083 30.472 31.700 -2.185 0.000 1.231 260 G N 0.752 109.294 108.800 -0.429 0.000 2.484 260 G HA2 -0.152 3.805 3.960 -0.005 0.000 0.218 260 G HA3 -0.152 3.805 3.960 -0.005 0.000 0.218 260 G C 1.430 176.403 174.900 0.121 0.000 1.130 260 G CA 0.162 45.284 45.100 0.036 0.000 0.784 260 G HN 0.227 nan 8.290 nan 0.000 0.543 261 I N 1.342 121.948 120.570 0.060 0.000 2.286 261 I HA -0.084 4.083 4.170 -0.005 0.000 0.248 261 I C 1.698 177.898 176.117 0.138 0.000 1.115 261 I CA 1.687 63.052 61.300 0.108 0.000 1.392 261 I CB 0.067 38.123 38.000 0.093 0.000 1.065 261 I HN 0.320 nan 8.210 nan 0.000 0.418 262 D N -1.002 119.502 120.400 0.174 0.000 2.523 262 D HA 0.087 4.724 4.640 -0.005 0.000 0.269 262 D C 0.384 176.793 176.300 0.181 0.000 1.374 262 D CA -0.396 53.706 54.000 0.170 0.000 0.820 262 D CB -0.746 40.146 40.800 0.153 0.000 1.211 262 D HN 0.176 nan 8.370 nan 0.000 0.502 263 I N 1.259 121.927 120.570 0.164 0.000 2.815 263 I HA 0.076 4.243 4.170 -0.005 0.000 0.291 263 I C -0.096 175.834 176.117 -0.312 0.000 1.209 263 I CA 0.121 61.456 61.300 0.057 0.000 1.431 263 I CB 0.379 38.287 38.000 -0.153 0.000 1.351 263 I HN -0.130 nan 8.210 nan 0.000 0.585 264 R N 5.731 126.095 120.500 -0.226 0.000 2.604 264 R HA 0.406 4.742 4.340 -0.005 0.000 0.287 264 R C -0.544 175.560 176.300 -0.326 0.000 0.970 264 R CA -0.407 55.537 56.100 -0.259 0.000 0.946 264 R CB 1.214 31.508 30.300 -0.011 0.000 1.127 264 R HN 0.559 nan 8.270 nan 0.000 0.473 265 F N -1.093 118.949 119.950 0.153 0.000 2.667 265 F HA 0.230 4.754 4.527 -0.005 0.000 0.288 265 F C 0.220 176.072 175.800 0.086 0.000 1.086 265 F CA -0.266 57.809 58.000 0.125 0.000 1.297 265 F CB 0.457 39.512 39.000 0.091 0.000 1.059 265 F HN 0.320 nan 8.300 nan 0.000 0.624 266 D N 0.174 120.720 120.400 0.243 0.000 2.225 266 D HA 0.449 5.086 4.640 -0.005 0.000 0.249 266 D C 0.943 177.308 176.300 0.109 0.000 1.052 266 D CA 0.818 54.910 54.000 0.152 0.000 0.909 266 D CB 1.087 41.963 40.800 0.126 0.000 1.186 266 D HN 0.275 nan 8.370 nan 0.000 0.431 267 G N 2.299 111.148 108.800 0.081 0.000 2.581 267 G HA2 -0.342 3.615 3.960 -0.005 0.000 0.291 267 G HA3 -0.342 3.615 3.960 -0.005 0.000 0.291 267 G C 0.715 175.656 174.900 0.068 0.000 1.277 267 G CA 0.461 45.599 45.100 0.063 0.000 0.959 267 G HN 0.525 nan 8.290 nan 0.000 0.554 268 D N 0.414 120.849 120.400 0.058 0.000 2.117 268 D HA 0.016 4.653 4.640 -0.005 0.000 0.197 268 D C 2.824 179.167 176.300 0.071 0.000 0.987 268 D CA 2.138 56.172 54.000 0.057 0.000 0.829 268 D CB -0.813 40.013 40.800 0.044 0.000 0.961 268 D HN 0.793 nan 8.370 nan 0.000 0.460 269 A N 1.118 123.982 122.820 0.073 0.000 1.908 269 A HA -0.107 4.210 4.320 -0.005 0.000 0.218 269 A C 2.432 180.083 177.584 0.112 0.000 1.181 269 A CA 2.294 54.381 52.037 0.083 0.000 0.627 269 A CB -1.197 17.845 19.000 0.071 0.000 0.818 269 A HN 0.322 nan 8.150 nan 0.000 0.445 270 G N -0.803 108.070 108.800 0.122 0.000 2.432 270 G HA2 -0.162 3.795 3.960 -0.005 0.000 0.219 270 G HA3 -0.162 3.795 3.960 -0.005 0.000 0.219 270 G C 1.408 176.430 174.900 0.203 0.000 1.135 270 G CA 1.004 46.202 45.100 0.164 0.000 0.767 270 G HN 0.467 nan 8.290 nan 0.000 0.550 271 E N 0.548 120.841 120.200 0.156 0.000 2.031 271 E HA -0.115 4.232 4.350 -0.005 0.000 0.193 271 E C 2.240 178.939 176.600 0.164 0.000 0.994 271 E CA 0.882 57.381 56.400 0.165 0.000 0.800 271 E CB -0.517 29.245 29.700 0.103 0.000 0.752 271 E HN 0.624 nan 8.360 nan 0.000 0.447 272 E N 0.522 120.783 120.200 0.102 0.000 2.070 272 E HA -0.233 4.114 4.350 -0.005 0.000 0.197 272 E C 1.460 178.101 176.600 0.068 0.000 1.004 272 E CA 1.606 58.022 56.400 0.026 0.000 0.805 272 E CB 0.072 29.805 29.700 0.055 0.000 0.744 272 E HN 0.100 nan 8.360 nan 0.000 0.451 273 D N -0.650 119.901 120.400 0.252 0.000 2.149 273 D HA -0.109 4.528 4.640 -0.005 0.000 0.201 273 D C 1.530 178.103 176.300 0.454 0.000 0.972 273 D CA 0.491 54.754 54.000 0.438 0.000 0.835 273 D CB -0.316 40.729 40.800 0.408 0.000 0.966 273 D HN 0.184 nan 8.370 nan 0.000 0.476 274 F N 1.879 121.967 119.950 0.230 0.000 2.102 274 F HA -0.167 4.357 4.527 -0.005 0.000 0.298 274 F C 1.830 177.742 175.800 0.187 0.000 1.105 274 F CA 1.143 59.272 58.000 0.214 0.000 1.239 274 F CB -0.252 38.853 39.000 0.175 0.000 0.991 274 F HN -0.145 nan 8.300 nan 0.000 0.474 275 N N -0.102 118.640 118.700 0.071 0.000 2.094 275 N HA -0.219 4.517 4.740 -0.005 0.000 0.191 275 N C 1.853 177.306 175.510 -0.095 0.000 1.023 275 N CA 1.611 54.617 53.050 -0.075 0.000 0.857 275 N CB -0.925 37.521 38.487 -0.069 0.000 1.013 275 N HN 0.411 nan 8.380 nan 0.000 0.426 276 H N 0.712 119.811 119.070 0.048 0.000 2.353 276 H HA -0.056 4.497 4.556 -0.005 0.000 0.298 276 H C 2.246 177.656 175.328 0.136 0.000 1.103 276 H CA 0.875 56.964 56.048 0.068 0.000 1.293 276 H CB -0.429 29.333 29.762 0.000 0.000 1.372 276 H HN 0.213 nan 8.280 nan 0.000 0.501 277 L N 0.055 121.420 121.223 0.238 0.000 2.017 277 L HA -0.185 4.152 4.340 -0.005 0.000 0.208 277 L C 2.526 179.378 176.870 -0.030 0.000 1.073 277 L CA 0.643 55.522 54.840 0.065 0.000 0.745 277 L CB -0.276 41.694 42.059 -0.150 0.000 0.894 277 L HN 0.194 nan 8.230 nan 0.000 0.432 278 I N -0.337 120.118 120.570 -0.191 0.000 2.142 278 I HA -0.264 3.903 4.170 -0.005 0.000 0.240 278 I C 2.579 178.639 176.117 -0.095 0.000 1.078 278 I CA 1.769 62.935 61.300 -0.223 0.000 1.343 278 I CB -1.676 36.177 38.000 -0.244 0.000 1.046 278 I HN 0.274 nan 8.210 nan 0.000 0.405 279 T N 0.886 115.428 114.554 -0.020 0.000 2.653 279 T HA -0.255 4.092 4.350 -0.005 0.000 0.268 279 T C 1.986 176.731 174.700 0.075 0.000 1.035 279 T CA 2.032 64.155 62.100 0.038 0.000 1.154 279 T CB -0.231 68.674 68.868 0.061 0.000 0.862 279 T HN 0.094 nan 8.240 nan 0.000 0.441 280 K N 1.296 121.768 120.400 0.118 0.000 2.057 280 K HA 0.149 4.466 4.320 -0.005 0.000 0.206 280 K C 2.257 178.949 176.600 0.153 0.000 1.050 280 K CA 1.256 57.657 56.287 0.190 0.000 0.935 280 K CB -0.706 31.983 32.500 0.315 0.000 0.715 280 K HN 0.295 nan 8.250 nan 0.000 0.439 281 A N 0.681 123.541 122.820 0.067 0.000 1.854 281 A HA -0.140 4.177 4.320 -0.005 0.000 0.214 281 A C 1.974 179.618 177.584 0.099 0.000 1.192 281 A CA 1.647 53.662 52.037 -0.037 0.000 0.611 281 A CB -0.611 17.962 19.000 -0.711 0.000 0.832 281 A HN 0.438 nan 8.150 nan 0.000 0.442 282 E N 0.301 120.550 120.200 0.083 0.000 2.086 282 E HA -0.261 4.086 4.350 -0.005 0.000 0.200 282 E C 2.363 179.112 176.600 0.248 0.000 1.012 282 E CA 1.955 58.520 56.400 0.275 0.000 0.812 282 E CB -0.285 29.514 29.700 0.166 0.000 0.743 282 E HN 0.789 nan 8.360 nan 0.000 0.453 283 S N 0.523 116.304 115.700 0.135 0.000 2.387 283 S HA -0.184 4.283 4.470 -0.005 0.000 0.230 283 S C 1.971 176.596 174.600 0.043 0.000 1.035 283 S CA 1.105 59.352 58.200 0.078 0.000 1.014 283 S CB -0.269 62.961 63.200 0.050 0.000 0.836 283 S HN 0.133 nan 8.310 nan 0.000 0.466 284 L N -0.672 120.572 121.223 0.034 0.000 2.249 284 L HA 0.226 4.563 4.340 -0.005 0.000 0.207 284 L C 2.407 179.390 176.870 0.188 0.000 1.090 284 L CA 0.969 55.786 54.840 -0.039 0.000 0.802 284 L CB -0.647 41.191 42.059 -0.369 0.000 0.947 284 L HN 0.350 nan 8.230 nan 0.000 0.453 285 Y N 0.952 121.472 120.300 0.366 0.000 2.128 285 Y HA -0.317 4.230 4.550 -0.005 0.000 0.284 285 Y C 2.096 178.101 175.900 0.175 0.000 1.154 285 Y CA 1.830 60.180 58.100 0.417 0.000 1.149 285 Y CB -0.095 38.685 38.460 0.533 0.000 0.976 285 Y HN 0.218 nan 8.280 nan 0.000 0.505 286 D N -0.208 120.375 120.400 0.306 0.000 2.354 286 D HA -0.169 4.468 4.640 -0.005 0.000 0.216 286 D C 1.572 177.877 176.300 0.008 0.000 0.970 286 D CA 1.335 55.429 54.000 0.156 0.000 0.905 286 D CB -0.164 40.721 40.800 0.142 0.000 0.903 286 D HN 0.492 nan 8.370 nan 0.000 0.508 287 M N -1.668 117.907 119.600 -0.041 0.000 2.333 287 M HA 0.206 4.683 4.480 -0.005 0.000 0.257 287 M C 0.923 177.133 176.300 -0.150 0.000 1.078 287 M CA 0.233 55.471 55.300 -0.105 0.000 1.005 287 M CB 1.381 33.896 32.600 -0.141 0.000 1.444 287 M HN 0.102 nan 8.290 nan 0.000 0.496 288 G N 0.473 109.163 108.800 -0.184 0.000 2.192 288 G HA2 -0.154 3.802 3.960 -0.005 0.000 0.193 288 G HA3 -0.154 3.802 3.960 -0.005 0.000 0.193 288 G C -0.075 174.715 174.900 -0.184 0.000 0.999 288 G CA -0.585 44.388 45.100 -0.211 0.000 0.659 288 G HN 0.210 nan 8.290 nan 0.000 0.503 289 V N 1.906 121.736 119.914 -0.141 0.000 2.521 289 V HA 0.400 4.517 4.120 -0.005 0.000 0.286 289 V C 1.297 177.370 176.094 -0.035 0.000 1.034 289 V CA 0.134 62.381 62.300 -0.089 0.000 1.045 289 V CB 1.283 33.039 31.823 -0.112 0.000 0.974 289 V HN 0.309 nan 8.190 nan 0.000 0.480 290 R N 2.050 122.541 120.500 -0.014 0.000 2.509 290 R HA 0.315 4.652 4.340 -0.005 0.000 0.297 290 R C -0.033 176.398 176.300 0.217 0.000 0.951 290 R CA -0.028 56.185 56.100 0.189 0.000 1.103 290 R CB 1.001 31.381 30.300 0.132 0.000 1.283 290 R HN 0.613 nan 8.270 nan 0.000 0.534 291 S N 0.396 116.063 115.700 -0.054 0.000 2.542 291 S HA 0.748 5.215 4.470 -0.005 0.000 0.293 291 S C -1.009 173.423 174.600 -0.281 0.000 1.089 291 S CA -0.399 57.834 58.200 0.055 0.000 0.961 291 S CB 1.680 64.953 63.200 0.121 0.000 1.062 291 S HN 0.016 nan 8.310 nan 0.000 0.483 292 F N 0.556 120.668 119.950 0.271 0.000 2.613 292 F HA 0.766 5.290 4.527 -0.005 0.000 0.310 292 F C -0.008 175.775 175.800 -0.028 0.000 1.085 292 F CA -0.803 57.313 58.000 0.193 0.000 0.945 292 F CB 1.783 40.972 39.000 0.315 0.000 1.298 292 F HN 0.679 nan 8.300 nan 0.000 0.455 293 A N 2.398 125.168 122.820 -0.084 0.000 2.414 293 A HA 0.929 5.246 4.320 -0.005 0.000 0.306 293 A C -1.398 175.757 177.584 -0.715 0.000 1.054 293 A CA -0.613 51.141 52.037 -0.472 0.000 0.724 293 A CB 1.234 19.779 19.000 -0.759 0.000 1.267 293 A HN 0.696 nan 8.150 nan 0.000 0.418 294 I N 1.818 121.931 120.570 -0.762 0.000 2.468 294 I HA 0.325 4.492 4.170 -0.005 0.000 0.285 294 I C -1.423 174.207 176.117 -0.811 0.000 1.039 294 I CA -0.199 60.620 61.300 -0.803 0.000 1.074 294 I CB 1.516 39.123 38.000 -0.654 0.000 1.228 294 I HN 0.689 nan 8.210 nan 0.000 0.436 295 Y N 3.947 123.828 120.300 -0.699 0.000 2.377 295 Y HA 0.240 4.787 4.550 -0.005 0.000 0.339 295 Y C -0.188 175.248 175.900 -0.773 0.000 1.011 295 Y CA -0.602 57.160 58.100 -0.564 0.000 1.093 295 Y CB 1.968 40.214 38.460 -0.356 0.000 1.201 295 Y HN 0.612 nan 8.280 nan 0.000 0.455 296 W N 1.871 123.170 121.300 -0.001 0.000 2.818 296 W HA 0.107 4.763 4.660 -0.005 0.000 0.403 296 W C -0.145 176.330 176.519 -0.073 0.000 0.991 296 W CA -0.570 56.716 57.345 -0.099 0.000 1.925 296 W CB 0.481 29.890 29.460 -0.085 0.000 1.166 296 W HN 0.444 nan 8.180 nan 0.000 0.605 297 D N -0.305 120.101 120.400 0.009 0.000 2.329 297 D HA 0.045 4.682 4.640 -0.005 0.000 0.246 297 D C 0.288 176.584 176.300 -0.007 0.000 1.111 297 D CA 0.059 54.025 54.000 -0.055 0.000 0.941 297 D CB 1.079 41.583 40.800 -0.493 0.000 1.169 297 D HN -0.093 nan 8.370 nan 0.000 0.441 298 D N -0.759 119.685 120.400 0.073 0.000 2.837 298 D HA -0.162 4.475 4.640 -0.005 0.000 0.230 298 D C -0.080 176.254 176.300 0.057 0.000 1.152 298 D CA 0.796 54.833 54.000 0.062 0.000 0.736 298 D CB -1.587 39.265 40.800 0.088 0.000 1.084 298 D HN 0.616 nan 8.370 nan 0.000 0.429 299 I N -4.413 116.197 120.570 0.067 0.000 2.910 299 I HA 0.408 4.574 4.170 -0.005 0.000 0.310 299 I C 1.154 177.312 176.117 0.067 0.000 1.043 299 I CA -1.012 60.340 61.300 0.086 0.000 1.053 299 I CB 1.576 39.665 38.000 0.150 0.000 1.242 299 I HN -0.399 nan 8.210 nan 0.000 0.452 300 Q N 0.828 120.672 119.800 0.074 0.000 2.331 300 Q HA 0.045 4.382 4.340 -0.005 0.000 0.203 300 Q C -0.206 175.842 176.000 0.080 0.000 0.944 300 Q CA 0.814 56.649 55.803 0.053 0.000 0.892 300 Q CB -0.256 28.509 28.738 0.045 0.000 0.983 300 Q HN 0.692 nan 8.270 nan 0.000 0.482 301 D N 1.695 122.187 120.400 0.153 0.000 2.338 301 D HA 0.036 4.672 4.640 -0.005 0.000 0.255 301 D C -0.557 175.861 176.300 0.195 0.000 1.237 301 D CA 0.186 54.306 54.000 0.200 0.000 0.883 301 D CB 0.362 41.360 40.800 0.330 0.000 1.087 301 D HN -0.174 nan 8.370 nan 0.000 0.485 302 K N 2.239 122.688 120.400 0.082 0.000 2.598 302 K HA 0.223 4.539 4.320 -0.005 0.000 0.226 302 K C -0.459 176.155 176.600 0.025 0.000 1.156 302 K CA -0.324 56.005 56.287 0.070 0.000 1.122 302 K CB 0.572 33.074 32.500 0.004 0.000 1.739 302 K HN 0.122 nan 8.250 nan 0.000 0.472 303 S N 1.735 117.269 115.700 -0.276 0.000 3.158 303 S HA 0.159 4.626 4.470 -0.005 0.000 0.215 303 S C 1.188 175.281 174.600 -0.845 0.000 1.359 303 S CA -0.463 57.450 58.200 -0.479 0.000 0.974 303 S CB 0.905 63.820 63.200 -0.475 0.000 1.336 303 S HN 0.618 nan 8.310 nan 0.000 0.488 304 A N 2.789 125.212 122.820 -0.661 0.000 1.908 304 A HA -0.079 4.238 4.320 -0.005 0.000 0.218 304 A C 2.299 179.515 177.584 -0.613 0.000 1.181 304 A CA 1.895 53.396 52.037 -0.893 0.000 0.627 304 A CB -0.862 17.549 19.000 -0.982 0.000 0.818 304 A HN 0.758 nan 8.150 nan 0.000 0.445 305 A N -0.410 122.121 122.820 -0.482 0.000 1.902 305 A HA -0.159 4.158 4.320 -0.005 0.000 0.217 305 A C 2.127 179.458 177.584 -0.421 0.000 1.181 305 A CA 1.854 53.656 52.037 -0.391 0.000 0.623 305 A CB -0.412 18.415 19.000 -0.288 0.000 0.818 305 A HN 0.562 nan 8.150 nan 0.000 0.443 306 K N -1.072 119.001 120.400 -0.546 0.000 2.057 306 K HA -0.115 4.202 4.320 -0.005 0.000 0.206 306 K C 1.911 178.181 176.600 -0.549 0.000 1.050 306 K CA 1.507 57.388 56.287 -0.677 0.000 0.935 306 K CB -0.394 31.338 32.500 -1.280 0.000 0.715 306 K HN 0.742 nan 8.250 nan 0.000 0.439 307 H N -0.065 118.529 119.070 -0.795 0.000 2.290 307 H HA -0.135 4.418 4.556 -0.005 0.000 0.298 307 H C 2.167 177.184 175.328 -0.520 0.000 1.087 307 H CA 0.898 56.360 56.048 -0.977 0.000 1.291 307 H CB 0.002 29.122 29.762 -1.070 0.000 1.369 307 H HN 0.280 nan 8.280 nan 0.000 0.492 308 A N 0.969 123.512 122.820 -0.462 0.000 1.968 308 A HA -0.169 4.148 4.320 -0.005 0.000 0.217 308 A C 2.222 179.664 177.584 -0.237 0.000 1.169 308 A CA 1.160 52.878 52.037 -0.532 0.000 0.638 308 A CB -0.349 18.175 19.000 -0.793 0.000 0.812 308 A HN 0.432 nan 8.150 nan 0.000 0.446 309 Q N -0.510 119.167 119.800 -0.206 0.000 2.135 309 Q HA -0.129 4.208 4.340 -0.005 0.000 0.204 309 Q C 2.102 178.099 176.000 -0.005 0.000 0.981 309 Q CA 1.663 57.398 55.803 -0.114 0.000 0.856 309 Q CB -0.308 28.350 28.738 -0.134 0.000 0.902 309 Q HN 0.503 nan 8.270 nan 0.000 0.425 310 V N 0.928 120.903 119.914 0.102 0.000 2.307 310 V HA -0.256 3.861 4.120 -0.005 0.000 0.245 310 V C 2.184 178.501 176.094 0.371 0.000 1.045 310 V CA 1.450 63.942 62.300 0.319 0.000 1.024 310 V CB -0.489 31.678 31.823 0.574 0.000 0.651 310 V HN 0.354 nan 8.190 nan 0.000 0.449 311 L N 0.348 121.756 121.223 0.309 0.000 2.013 311 L HA -0.238 4.099 4.340 -0.005 0.000 0.212 311 L C 2.468 179.484 176.870 0.243 0.000 1.073 311 L CA 1.825 56.831 54.840 0.278 0.000 0.753 311 L CB -0.856 41.330 42.059 0.212 0.000 0.890 311 L HN 0.398 nan 8.230 nan 0.000 0.432 312 N N -0.452 118.322 118.700 0.124 0.000 2.188 312 N HA -0.148 4.589 4.740 -0.005 0.000 0.184 312 N C 1.923 177.503 175.510 0.117 0.000 1.018 312 N CA 0.887 53.991 53.050 0.089 0.000 0.858 312 N CB -0.307 38.181 38.487 0.003 0.000 0.989 312 N HN 0.211 nan 8.380 nan 0.000 0.426 313 R N -0.065 120.494 120.500 0.099 0.000 2.081 313 R HA -0.035 4.302 4.340 -0.005 0.000 0.235 313 R C 1.960 178.460 176.300 0.333 0.000 1.131 313 R CA 0.719 56.835 56.100 0.026 0.000 0.960 313 R CB -0.584 29.475 30.300 -0.401 0.000 0.856 313 R HN 0.240 nan 8.270 nan 0.000 0.436 314 F N 1.640 121.832 119.950 0.404 0.000 2.186 314 F HA -0.183 4.341 4.527 -0.005 0.000 0.299 314 F C 2.128 178.085 175.800 0.262 0.000 1.090 314 F CA 1.549 59.789 58.000 0.401 0.000 1.307 314 F CB -0.298 38.864 39.000 0.269 0.000 1.019 314 F HN 0.045 nan 8.300 nan 0.000 0.489 315 N N 0.431 119.366 118.700 0.392 0.000 2.149 315 N HA -0.219 4.518 4.740 -0.005 0.000 0.188 315 N C 1.749 177.335 175.510 0.127 0.000 1.019 315 N CA 1.639 54.842 53.050 0.255 0.000 0.857 315 N CB -0.176 38.439 38.487 0.214 0.000 0.997 315 N HN 0.359 nan 8.380 nan 0.000 0.426 316 E N 0.420 120.686 120.200 0.109 0.000 2.042 316 E HA 0.038 4.385 4.350 -0.005 0.000 0.189 316 E C 1.438 178.050 176.600 0.021 0.000 0.974 316 E CA 1.093 57.524 56.400 0.052 0.000 0.806 316 E CB -0.053 29.671 29.700 0.041 0.000 0.769 316 E HN 0.411 nan 8.360 nan 0.000 0.451 317 E N -1.363 118.870 120.200 0.054 0.000 2.371 317 E HA -0.043 4.304 4.350 -0.005 0.000 0.194 317 E C 1.022 177.588 176.600 -0.056 0.000 1.012 317 E CA 0.298 56.722 56.400 0.039 0.000 0.860 317 E CB 0.208 30.012 29.700 0.174 0.000 0.811 317 E HN 0.220 nan 8.360 nan 0.000 0.502 318 F N -0.375 119.345 119.950 -0.384 0.000 2.495 318 F HA 0.009 4.533 4.527 -0.005 0.000 0.271 318 F C 1.965 177.534 175.800 -0.385 0.000 0.889 318 F CA 0.156 57.797 58.000 -0.599 0.000 1.129 318 F CB -0.296 37.891 39.000 -1.355 0.000 1.169 318 F HN -0.293 nan 8.300 nan 0.000 0.781 319 V N 1.682 121.527 119.914 -0.116 0.000 2.231 319 V HA -0.375 3.742 4.120 -0.005 0.000 0.250 319 V C 2.182 178.244 176.094 -0.055 0.000 1.058 319 V CA 2.650 64.955 62.300 0.010 0.000 1.022 319 V CB -0.870 31.079 31.823 0.210 0.000 0.640 319 V HN 0.289 nan 8.190 nan 0.000 0.445 320 K N 0.145 120.525 120.400 -0.032 0.000 2.062 320 K HA 0.013 4.330 4.320 -0.005 0.000 0.205 320 K C 2.300 178.852 176.600 -0.080 0.000 1.051 320 K CA 1.230 57.500 56.287 -0.028 0.000 0.941 320 K CB -0.441 32.061 32.500 0.003 0.000 0.719 320 K HN 0.453 nan 8.250 nan 0.000 0.440 321 A N 1.900 124.641 122.820 -0.131 0.000 2.024 321 A HA -0.179 4.137 4.320 -0.005 0.000 0.220 321 A C 1.797 179.249 177.584 -0.220 0.000 1.164 321 A CA 1.501 53.441 52.037 -0.162 0.000 0.643 321 A CB -0.151 18.741 19.000 -0.180 0.000 0.806 321 A HN 0.080 nan 8.150 nan 0.000 0.451 322 K N -2.069 118.146 120.400 -0.308 0.000 2.262 322 K HA 0.121 4.438 4.320 -0.005 0.000 0.200 322 K C 1.653 178.197 176.600 -0.093 0.000 1.049 322 K CA 0.921 57.024 56.287 -0.307 0.000 0.979 322 K CB -0.425 31.740 32.500 -0.558 0.000 0.773 322 K HN 0.712 nan 8.250 nan 0.000 0.474 323 G N 2.596 111.365 108.800 -0.053 0.000 2.353 323 G HA2 -0.305 3.652 3.960 -0.005 0.000 0.258 323 G HA3 -0.305 3.652 3.960 -0.005 0.000 0.258 323 G C 0.407 175.340 174.900 0.055 0.000 1.013 323 G CA 1.062 46.166 45.100 0.008 0.000 0.622 323 G HN 0.491 nan 8.290 nan 0.000 0.535 324 D N -0.028 120.429 120.400 0.094 0.000 2.571 324 D HA 0.370 5.007 4.640 -0.005 0.000 0.239 324 D C 0.308 176.725 176.300 0.196 0.000 1.267 324 D CA -0.115 53.963 54.000 0.130 0.000 0.823 324 D CB 0.090 40.961 40.800 0.119 0.000 1.056 324 D HN 0.324 nan 8.370 nan 0.000 0.494 325 V N 1.427 121.473 119.914 0.220 0.000 2.407 325 V HA 0.185 4.302 4.120 -0.005 0.000 0.278 325 V C 0.792 177.053 176.094 0.278 0.000 1.037 325 V CA -0.882 61.615 62.300 0.328 0.000 0.900 325 V CB 1.679 33.735 31.823 0.388 0.000 0.983 325 V HN -0.002 nan 8.190 nan 0.000 0.459 326 K N 4.390 124.964 120.400 0.290 0.000 2.234 326 K HA 0.224 4.540 4.320 -0.005 0.000 0.251 326 K C -2.304 174.463 176.600 0.279 0.000 1.011 326 K CA -1.264 55.174 56.287 0.252 0.000 0.889 326 K CB -0.001 32.643 32.500 0.240 0.000 1.011 326 K HN 0.376 nan 8.250 nan 0.000 0.505 327 P HA -0.042 nan 4.420 nan 0.000 0.265 327 P C -0.105 177.346 177.300 0.252 0.000 1.187 327 P CA 0.068 63.306 63.100 0.230 0.000 0.766 327 P CB 0.398 32.218 31.700 0.199 0.000 0.820 328 L N 3.909 125.283 121.223 0.252 0.000 2.416 328 L HA 0.242 4.579 4.340 -0.005 0.000 0.272 328 L C -0.094 176.854 176.870 0.129 0.000 1.161 328 L CA -0.026 54.961 54.840 0.245 0.000 0.845 328 L CB 0.111 42.338 42.059 0.280 0.000 1.119 328 L HN 0.314 nan 8.230 nan 0.000 0.464 329 I N 3.623 124.227 120.570 0.056 0.000 2.441 329 I HA 0.358 4.525 4.170 -0.005 0.000 0.295 329 I C 0.068 176.150 176.117 -0.058 0.000 0.994 329 I CA -0.099 61.178 61.300 -0.038 0.000 1.144 329 I CB 2.055 39.992 38.000 -0.105 0.000 1.314 329 I HN 0.510 nan 8.210 nan 0.000 0.445 330 T N 4.599 119.192 114.554 0.065 0.000 2.883 330 T HA 0.683 5.029 4.350 -0.005 0.000 0.301 330 T C -1.516 173.364 174.700 0.300 0.000 1.158 330 T CA -0.439 61.768 62.100 0.179 0.000 1.007 330 T CB 1.694 70.762 68.868 0.332 0.000 1.186 330 T HN 0.203 nan 8.240 nan 0.000 0.499 331 V N 5.236 125.377 119.914 0.380 0.000 2.444 331 V HA 0.512 4.629 4.120 -0.005 0.000 0.294 331 V C -2.336 173.865 176.094 0.177 0.000 1.022 331 V CA -1.871 60.522 62.300 0.155 0.000 0.850 331 V CB 1.783 33.502 31.823 -0.172 0.000 0.992 331 V HN 0.737 nan 8.190 nan 0.000 0.426 332 P HA 0.284 nan 4.420 nan 0.000 0.276 332 P C 0.938 178.283 177.300 0.074 0.000 1.244 332 P CA -0.203 62.788 63.100 -0.182 0.000 0.801 332 P CB 0.684 32.013 31.700 -0.619 0.000 1.006 333 T N -0.894 113.675 114.554 0.025 0.000 2.759 333 T HA -0.149 4.198 4.350 -0.005 0.000 0.269 333 T C 0.345 174.872 174.700 -0.289 0.000 1.042 333 T CA 1.490 63.503 62.100 -0.146 0.000 1.140 333 T CB -0.517 68.142 68.868 -0.348 0.000 0.864 333 T HN 0.516 nan 8.240 nan 0.000 0.455 334 E N 1.005 120.931 120.200 -0.458 0.000 2.152 334 E HA 0.262 4.609 4.350 -0.005 0.000 0.285 334 E C -0.271 176.272 176.600 -0.094 0.000 1.043 334 E CA -0.338 55.879 56.400 -0.305 0.000 0.839 334 E CB 0.506 30.092 29.700 -0.190 0.000 1.069 334 E HN 0.718 nan 8.360 nan 0.000 0.399 335 Y N 0.758 121.024 120.300 -0.057 0.000 2.666 335 Y HA 0.228 4.774 4.550 -0.005 0.000 0.260 335 Y C -0.312 175.659 175.900 0.118 0.000 1.089 335 Y CA -0.830 57.278 58.100 0.014 0.000 1.246 335 Y CB 0.548 38.942 38.460 -0.110 0.000 1.353 335 Y HN 0.260 nan 8.280 nan 0.000 0.558 336 D N -0.169 120.172 120.400 -0.097 0.000 2.457 336 D HA 0.179 4.816 4.640 -0.005 0.000 0.240 336 D C 0.061 176.443 176.300 0.137 0.000 1.041 336 D CA -0.423 53.638 54.000 0.102 0.000 0.861 336 D CB 2.452 43.223 40.800 -0.048 0.000 1.394 336 D HN -0.001 nan 8.370 nan 0.000 0.473 337 T N 1.573 116.291 114.554 0.273 0.000 2.653 337 T HA -0.155 4.192 4.350 -0.005 0.000 0.268 337 T C 1.919 176.660 174.700 0.068 0.000 1.035 337 T CA 1.937 64.151 62.100 0.189 0.000 1.154 337 T CB -0.663 68.342 68.868 0.227 0.000 0.862 337 T HN 0.735 nan 8.240 nan 0.000 0.441 338 G N 1.129 109.951 108.800 0.036 0.000 2.469 338 G HA2 -0.118 3.839 3.960 -0.005 0.000 0.219 338 G HA3 -0.118 3.839 3.960 -0.005 0.000 0.219 338 G C 1.773 176.642 174.900 -0.051 0.000 1.150 338 G CA 0.984 46.078 45.100 -0.010 0.000 0.763 338 G HN 0.640 nan 8.290 nan 0.000 0.561 339 A N -0.163 122.597 122.820 -0.100 0.000 2.067 339 A HA 0.300 4.617 4.320 -0.005 0.000 0.217 339 A C 2.351 179.880 177.584 -0.091 0.000 1.156 339 A CA 1.369 53.317 52.037 -0.148 0.000 0.683 339 A CB -0.161 18.666 19.000 -0.287 0.000 0.808 339 A HN 0.406 nan 8.150 nan 0.000 0.455 340 M N -1.200 118.381 119.600 -0.032 0.000 2.486 340 M HA 0.140 4.617 4.480 -0.005 0.000 0.264 340 M C -0.430 175.874 176.300 0.006 0.000 1.125 340 M CA 0.593 55.903 55.300 0.015 0.000 1.144 340 M CB 0.680 33.323 32.600 0.073 0.000 1.353 340 M HN 0.042 nan 8.290 nan 0.000 0.466 341 V N -0.523 119.390 119.914 -0.001 0.000 2.735 341 V HA 0.437 4.554 4.120 -0.005 0.000 0.310 341 V C -0.835 175.251 176.094 -0.012 0.000 1.061 341 V CA -0.740 61.555 62.300 -0.008 0.000 0.913 341 V CB 2.049 33.872 31.823 -0.001 0.000 1.005 341 V HN 0.081 nan 8.190 nan 0.000 0.428 342 S N 4.068 119.757 115.700 -0.017 0.000 2.707 342 S HA 0.389 4.856 4.470 -0.005 0.000 0.303 342 S C -0.010 174.581 174.600 -0.016 0.000 1.132 342 S CA -0.578 57.612 58.200 -0.016 0.000 1.046 342 S CB 0.388 63.576 63.200 -0.019 0.000 1.004 342 S HN 0.826 nan 8.310 nan 0.000 0.483 343 N N 3.253 121.946 118.700 -0.012 0.000 2.780 343 N HA -0.215 4.522 4.740 -0.005 0.000 0.296 343 N C 1.123 176.624 175.510 -0.015 0.000 1.074 343 N CA 1.855 54.899 53.050 -0.011 0.000 0.806 343 N CB -1.004 37.478 38.487 -0.010 0.000 0.966 343 N HN 1.424 nan 8.380 nan 0.000 0.585 344 G N 0.235 109.025 108.800 -0.016 0.000 2.267 344 G HA2 -0.292 3.665 3.960 -0.005 0.000 0.257 344 G HA3 -0.292 3.665 3.960 -0.005 0.000 0.257 344 G C -0.097 174.783 174.900 -0.034 0.000 0.998 344 G CA 0.619 45.705 45.100 -0.023 0.000 0.620 344 G HN 0.601 nan 8.290 nan 0.000 0.529 345 Q N 0.714 120.494 119.800 -0.033 0.000 2.348 345 Q HA 0.503 4.840 4.340 -0.005 0.000 0.271 345 Q C -2.590 173.383 176.000 -0.045 0.000 1.067 345 Q CA -1.886 53.891 55.803 -0.042 0.000 0.839 345 Q CB 2.601 31.316 28.738 -0.038 0.000 1.354 345 Q HN 0.278 nan 8.270 nan 0.000 0.447 346 P HA 0.128 nan 4.420 nan 0.000 0.271 346 P C -0.271 177.008 177.300 -0.035 0.000 1.218 346 P CA 0.007 63.072 63.100 -0.059 0.000 0.780 346 P CB 1.049 32.690 31.700 -0.099 0.000 0.901 347 R N 1.138 121.630 120.500 -0.014 0.000 2.652 347 R HA 0.334 4.671 4.340 -0.005 0.000 0.271 347 R C 1.842 178.148 176.300 0.010 0.000 1.129 347 R CA -0.237 55.861 56.100 -0.002 0.000 1.200 347 R CB -0.129 30.173 30.300 0.003 0.000 1.146 347 R HN 0.464 nan 8.270 nan 0.000 0.581 348 A N 0.743 123.571 122.820 0.014 0.000 1.873 348 A HA -0.262 4.054 4.320 -0.005 0.000 0.218 348 A C 2.056 179.655 177.584 0.025 0.000 1.193 348 A CA 1.757 53.798 52.037 0.006 0.000 0.629 348 A CB -0.951 18.051 19.000 0.002 0.000 0.826 348 A HN 0.854 nan 8.150 nan 0.000 0.447 349 Y N 0.919 121.188 120.300 -0.052 0.000 2.070 349 Y HA -0.232 4.315 4.550 -0.005 0.000 0.280 349 Y C 2.781 178.688 175.900 0.012 0.000 1.148 349 Y CA 2.645 60.721 58.100 -0.040 0.000 1.125 349 Y CB -0.685 37.742 38.460 -0.055 0.000 0.975 349 Y HN 0.317 nan 8.280 nan 0.000 0.492 350 T N 1.002 115.712 114.554 0.260 0.000 2.684 350 T HA -0.260 4.087 4.350 -0.005 0.000 0.267 350 T C 1.898 176.581 174.700 -0.028 0.000 1.036 350 T CA 1.732 63.921 62.100 0.149 0.000 1.148 350 T CB -0.419 68.512 68.868 0.105 0.000 0.863 350 T HN 0.349 nan 8.240 nan 0.000 0.436 351 R N 0.601 121.067 120.500 -0.057 0.000 2.112 351 R HA -0.117 4.220 4.340 -0.005 0.000 0.242 351 R C 2.388 178.620 176.300 -0.114 0.000 1.137 351 R CA 1.795 57.834 56.100 -0.102 0.000 0.944 351 R CB -0.504 29.748 30.300 -0.079 0.000 0.857 351 R HN 0.407 nan 8.270 nan 0.000 0.435 352 I N -0.208 120.289 120.570 -0.122 0.000 2.252 352 I HA -0.256 3.911 4.170 -0.005 0.000 0.245 352 I C 2.214 178.230 176.117 -0.169 0.000 1.102 352 I CA 1.091 62.292 61.300 -0.164 0.000 1.385 352 I CB -0.369 37.504 38.000 -0.213 0.000 1.064 352 I HN 0.184 nan 8.210 nan 0.000 0.414 353 F N 1.686 121.437 119.950 -0.331 0.000 2.046 353 F HA -0.317 4.207 4.527 -0.005 0.000 0.297 353 F C 2.608 178.380 175.800 -0.047 0.000 1.123 353 F CA 1.943 59.811 58.000 -0.220 0.000 1.199 353 F CB -0.324 38.581 39.000 -0.157 0.000 0.972 353 F HN 0.014 nan 8.300 nan 0.000 0.474 354 A N 0.002 122.885 122.820 0.105 0.000 1.940 354 A HA -0.264 4.053 4.320 -0.005 0.000 0.219 354 A C 1.872 179.426 177.584 -0.050 0.000 1.176 354 A CA 2.086 54.059 52.037 -0.107 0.000 0.631 354 A CB -0.899 17.704 19.000 -0.662 0.000 0.814 354 A HN 0.609 nan 8.150 nan 0.000 0.446 355 E N -1.217 118.927 120.200 -0.094 0.000 2.447 355 E HA 0.019 4.366 4.350 -0.005 0.000 0.195 355 E C 1.335 177.879 176.600 -0.094 0.000 1.028 355 E CA 1.354 57.702 56.400 -0.086 0.000 0.876 355 E CB -0.550 29.093 29.700 -0.094 0.000 0.885 355 E HN 0.354 nan 8.360 nan 0.000 0.500 356 T N -0.186 114.282 114.554 -0.142 0.000 3.031 356 T HA 0.122 4.469 4.350 -0.005 0.000 0.254 356 T C 0.652 175.249 174.700 -0.171 0.000 1.060 356 T CA 0.323 62.316 62.100 -0.177 0.000 1.135 356 T CB 0.191 68.903 68.868 -0.260 0.000 0.896 356 T HN 0.087 nan 8.240 nan 0.000 0.472 357 V N 2.789 122.591 119.914 -0.187 0.000 2.637 357 V HA 0.137 4.254 4.120 -0.005 0.000 0.296 357 V C -0.357 175.729 176.094 -0.013 0.000 1.046 357 V CA -0.572 61.637 62.300 -0.151 0.000 1.066 357 V CB 0.701 32.421 31.823 -0.173 0.000 0.968 357 V HN 0.322 nan 8.190 nan 0.000 0.483 358 D N 7.878 128.282 120.400 0.007 0.000 2.458 358 D HA 0.168 4.805 4.640 -0.005 0.000 0.243 358 D C -1.529 174.815 176.300 0.074 0.000 1.146 358 D CA -0.572 53.452 54.000 0.041 0.000 0.877 358 D CB 1.284 42.117 40.800 0.055 0.000 1.176 358 D HN 0.412 nan 8.370 nan 0.000 0.461 359 P HA -0.192 nan 4.420 nan 0.000 0.218 359 P C 0.956 178.315 177.300 0.098 0.000 1.146 359 P CA 1.085 64.238 63.100 0.088 0.000 0.813 359 P CB 0.090 31.833 31.700 0.070 0.000 0.778 360 S N -1.164 114.593 115.700 0.095 0.000 2.423 360 S HA -0.053 4.414 4.470 -0.005 0.000 0.231 360 S C 0.991 175.665 174.600 0.122 0.000 1.014 360 S CA 0.373 58.637 58.200 0.108 0.000 0.965 360 S CB -1.141 62.123 63.200 0.107 0.000 0.785 360 S HN 0.085 nan 8.310 nan 0.000 0.495 361 I N 2.936 123.579 120.570 0.122 0.000 2.598 361 I HA 0.069 4.236 4.170 -0.005 0.000 0.284 361 I C 0.379 176.557 176.117 0.102 0.000 1.140 361 I CA 0.084 61.461 61.300 0.128 0.000 1.420 361 I CB 0.387 38.471 38.000 0.141 0.000 1.387 361 I HN 0.164 nan 8.210 nan 0.000 0.553 362 E N 6.100 126.343 120.200 0.070 0.000 2.257 362 E HA 0.229 4.576 4.350 -0.005 0.000 0.278 362 E C -0.776 175.812 176.600 -0.021 0.000 1.049 362 E CA -0.230 56.169 56.400 -0.003 0.000 0.876 362 E CB 1.719 31.340 29.700 -0.132 0.000 1.035 362 E HN 0.267 nan 8.360 nan 0.000 0.419 363 V N 5.267 125.160 119.914 -0.036 0.000 2.435 363 V HA 0.342 4.459 4.120 -0.005 0.000 0.290 363 V C 0.280 176.369 176.094 -0.010 0.000 1.030 363 V CA -0.545 61.715 62.300 -0.067 0.000 0.881 363 V CB 1.413 33.038 31.823 -0.330 0.000 0.983 363 V HN 0.585 nan 8.190 nan 0.000 0.445 364 M N 4.935 124.579 119.600 0.073 0.000 2.363 364 M HA 0.580 5.057 4.480 -0.005 0.000 0.343 364 M C -0.746 175.739 176.300 0.308 0.000 1.165 364 M CA -0.251 55.172 55.300 0.204 0.000 1.046 364 M CB 1.760 34.479 32.600 0.199 0.000 1.648 364 M HN 0.880 nan 8.290 nan 0.000 0.452 365 W N 1.249 122.609 121.300 0.100 0.000 3.062 365 W HA 0.593 5.250 4.660 -0.005 0.000 0.336 365 W C -0.109 176.546 176.519 0.227 0.000 1.224 365 W CA -0.651 56.780 57.345 0.144 0.000 1.159 365 W CB 1.008 30.548 29.460 0.133 0.000 1.454 365 W HN 0.715 nan 8.180 nan 0.000 0.569 366 T N 0.109 114.559 114.554 -0.174 0.000 3.069 366 T HA 0.523 4.870 4.350 -0.005 0.000 0.252 366 T C 0.783 175.295 174.700 -0.312 0.000 1.053 366 T CA 0.558 62.568 62.100 -0.149 0.000 0.964 366 T CB -0.288 68.618 68.868 0.064 0.000 1.005 366 T HN 1.886 nan 8.240 nan 0.000 0.532 367 G N 1.881 110.130 108.800 -0.919 0.000 2.466 367 G HA2 -0.024 3.932 3.960 -0.005 0.000 0.316 367 G HA3 -0.024 3.932 3.960 -0.005 0.000 0.316 367 G C -2.510 172.472 174.900 0.137 0.000 1.270 367 G CA -0.395 44.526 45.100 -0.298 0.000 0.982 367 G HN 0.002 nan 8.290 nan 0.000 0.506 368 P HA 0.135 nan 4.420 nan 0.000 0.218 368 P C 1.127 178.500 177.300 0.122 0.000 1.146 368 P CA 2.462 65.675 63.100 0.189 0.000 0.813 368 P CB -0.028 31.764 31.700 0.152 0.000 0.778 369 G N -2.813 106.044 108.800 0.096 0.000 2.708 369 G HA2 0.347 4.304 3.960 -0.005 0.000 0.289 369 G HA3 0.347 4.304 3.960 -0.005 0.000 0.289 369 G C 0.584 175.519 174.900 0.058 0.000 1.416 369 G CA -0.474 44.662 45.100 0.060 0.000 0.829 369 G HN -0.208 nan 8.290 nan 0.000 0.480 370 V N -0.581 119.374 119.914 0.068 0.000 2.261 370 V HA -0.038 4.079 4.120 -0.005 0.000 0.246 370 V C 1.000 177.129 176.094 0.058 0.000 1.047 370 V CA 1.279 63.655 62.300 0.126 0.000 1.015 370 V CB -0.464 31.458 31.823 0.164 0.000 0.642 370 V HN 0.360 nan 8.190 nan 0.000 0.446 371 V N 1.249 121.178 119.914 0.024 0.000 2.349 371 V HA 0.537 4.654 4.120 -0.005 0.000 0.284 371 V C -0.289 175.723 176.094 -0.137 0.000 1.014 371 V CA -0.218 61.981 62.300 -0.169 0.000 0.826 371 V CB 1.132 32.735 31.823 -0.366 0.000 1.009 371 V HN 0.562 nan 8.190 nan 0.000 0.431 372 T N 0.375 114.842 114.554 -0.145 0.000 2.901 372 T HA 0.408 4.755 4.350 -0.005 0.000 0.293 372 T C 0.768 175.500 174.700 0.054 0.000 1.084 372 T CA -0.841 61.252 62.100 -0.011 0.000 1.008 372 T CB 1.824 70.747 68.868 0.092 0.000 1.170 372 T HN 0.249 nan 8.240 nan 0.000 0.509 373 N N 0.905 119.655 118.700 0.082 0.000 2.069 373 N HA -0.034 4.703 4.740 -0.005 0.000 0.191 373 N C 0.311 175.945 175.510 0.206 0.000 1.031 373 N CA 1.291 54.411 53.050 0.116 0.000 0.852 373 N CB -0.035 38.495 38.487 0.072 0.000 1.018 373 N HN 0.720 nan 8.380 nan 0.000 0.423 374 E N -0.965 119.362 120.200 0.212 0.000 2.413 374 E HA 0.473 4.820 4.350 -0.005 0.000 0.277 374 E C -0.891 175.793 176.600 0.141 0.000 0.958 374 E CA -0.530 55.946 56.400 0.126 0.000 0.779 374 E CB 2.507 32.234 29.700 0.045 0.000 1.278 374 E HN -0.091 nan 8.360 nan 0.000 0.456 375 I N 2.747 123.318 120.570 0.001 0.000 2.437 375 I HA 0.289 4.455 4.170 -0.005 0.000 0.279 375 I C -2.478 173.675 176.117 0.060 0.000 1.028 375 I CA -2.116 59.212 61.300 0.047 0.000 1.142 375 I CB 1.289 39.267 38.000 -0.036 0.000 1.266 375 I HN 0.104 nan 8.210 nan 0.000 0.461 376 P HA 0.119 nan 4.420 nan 0.000 0.274 376 P C 0.687 178.069 177.300 0.137 0.000 1.237 376 P CA -0.542 62.614 63.100 0.094 0.000 0.793 376 P CB 1.188 32.937 31.700 0.082 0.000 0.977 377 L N 2.596 123.899 121.223 0.134 0.000 2.013 377 L HA -0.256 4.081 4.340 -0.005 0.000 0.212 377 L C 2.305 179.246 176.870 0.117 0.000 1.073 377 L CA 2.732 57.681 54.840 0.180 0.000 0.753 377 L CB -1.586 40.585 42.059 0.186 0.000 0.890 377 L HN 0.491 nan 8.230 nan 0.000 0.432 378 S N -1.472 114.274 115.700 0.076 0.000 2.392 378 S HA -0.314 4.153 4.470 -0.005 0.000 0.232 378 S C 1.866 176.470 174.600 0.008 0.000 1.041 378 S CA 1.622 59.835 58.200 0.021 0.000 1.026 378 S CB -1.066 62.154 63.200 0.033 0.000 0.845 378 S HN 0.645 nan 8.310 nan 0.000 0.465 379 D N 1.911 122.365 120.400 0.090 0.000 2.117 379 D HA 0.026 4.663 4.640 -0.005 0.000 0.197 379 D C 2.068 178.443 176.300 0.125 0.000 0.987 379 D CA 1.447 55.541 54.000 0.156 0.000 0.829 379 D CB -0.554 40.423 40.800 0.294 0.000 0.961 379 D HN 0.532 nan 8.370 nan 0.000 0.460 380 A N -0.048 122.870 122.820 0.163 0.000 1.929 380 A HA -0.158 4.159 4.320 -0.005 0.000 0.216 380 A C 2.140 179.491 177.584 -0.389 0.000 1.176 380 A CA 1.425 53.498 52.037 0.059 0.000 0.628 380 A CB -0.697 18.528 19.000 0.375 0.000 0.816 380 A HN 0.360 nan 8.150 nan 0.000 0.444 381 Q N -0.754 118.660 119.800 -0.644 0.000 2.084 381 Q HA -0.198 4.139 4.340 -0.005 0.000 0.202 381 Q C 2.008 177.702 176.000 -0.509 0.000 0.978 381 Q CA 1.799 56.946 55.803 -1.094 0.000 0.844 381 Q CB -0.231 28.059 28.738 -0.746 0.000 0.898 381 Q HN 0.547 nan 8.270 nan 0.000 0.426 382 L N 0.496 121.544 121.223 -0.292 0.000 2.017 382 L HA -0.183 4.154 4.340 -0.005 0.000 0.208 382 L C 2.102 178.848 176.870 -0.207 0.000 1.073 382 L CA 1.502 56.230 54.840 -0.187 0.000 0.745 382 L CB -0.474 41.525 42.059 -0.100 0.000 0.894 382 L HN 0.284 nan 8.230 nan 0.000 0.432 383 I N -1.034 119.358 120.570 -0.297 0.000 2.286 383 I HA -0.187 3.980 4.170 -0.005 0.000 0.245 383 I C 2.719 178.699 176.117 -0.228 0.000 1.104 383 I CA 1.579 62.665 61.300 -0.355 0.000 1.397 383 I CB -1.465 36.015 38.000 -0.867 0.000 1.072 383 I HN 0.388 nan 8.210 nan 0.000 0.417 384 S N 1.026 116.559 115.700 -0.278 0.000 2.383 384 S HA -0.152 4.315 4.470 -0.005 0.000 0.229 384 S C 2.205 176.790 174.600 -0.025 0.000 1.030 384 S CA 1.698 59.846 58.200 -0.088 0.000 1.002 384 S CB -0.648 62.541 63.200 -0.018 0.000 0.829 384 S HN 0.522 nan 8.310 nan 0.000 0.467 385 G N 1.472 110.210 108.800 -0.104 0.000 2.446 385 G HA2 -0.160 3.797 3.960 -0.005 0.000 0.217 385 G HA3 -0.160 3.797 3.960 -0.005 0.000 0.217 385 G C 1.420 176.280 174.900 -0.066 0.000 1.168 385 G CA 1.064 46.123 45.100 -0.068 0.000 0.771 385 G HN 0.586 nan 8.290 nan 0.000 0.551 386 I N -1.046 119.460 120.570 -0.108 0.000 2.286 386 I HA -0.136 4.031 4.170 -0.005 0.000 0.248 386 I C 2.146 178.099 176.117 -0.273 0.000 1.115 386 I CA 0.982 62.163 61.300 -0.198 0.000 1.392 386 I CB -0.099 37.750 38.000 -0.252 0.000 1.065 386 I HN 0.166 nan 8.210 nan 0.000 0.418 387 Y N -0.240 120.039 120.300 -0.036 0.000 2.466 387 Y HA -0.017 4.530 4.550 -0.005 0.000 0.272 387 Y C 0.651 176.561 175.900 0.018 0.000 1.169 387 Y CA 0.076 58.181 58.100 0.007 0.000 1.285 387 Y CB 0.054 38.524 38.460 0.016 0.000 1.078 387 Y HN 0.116 nan 8.280 nan 0.000 0.523 388 D N 1.019 121.478 120.400 0.099 0.000 2.701 388 D HA -0.231 4.406 4.640 -0.005 0.000 0.235 388 D C -0.724 175.646 176.300 0.117 0.000 1.155 388 D CA 0.855 54.906 54.000 0.084 0.000 0.649 388 D CB -0.578 40.254 40.800 0.053 0.000 1.050 388 D HN 0.526 nan 8.370 nan 0.000 0.425 389 R N -1.320 119.265 120.500 0.142 0.000 2.764 389 R HA 0.457 4.794 4.340 -0.005 0.000 0.276 389 R C -0.627 175.762 176.300 0.148 0.000 1.021 389 R CA -0.908 55.274 56.100 0.137 0.000 0.870 389 R CB 0.080 30.461 30.300 0.134 0.000 1.293 389 R HN -0.024 nan 8.270 nan 0.000 0.469 390 N N 0.511 119.300 118.700 0.149 0.000 2.513 390 N HA 0.221 4.958 4.740 -0.005 0.000 0.268 390 N C -0.378 175.235 175.510 0.171 0.000 1.180 390 N CA -0.165 52.988 53.050 0.173 0.000 0.948 390 N CB 0.462 39.046 38.487 0.163 0.000 1.083 390 N HN 0.216 nan 8.380 nan 0.000 0.455 391 M N 1.577 121.296 119.600 0.198 0.000 2.368 391 M HA 0.447 4.924 4.480 -0.005 0.000 0.311 391 M C 0.109 176.614 176.300 0.342 0.000 1.168 391 M CA -0.870 54.555 55.300 0.207 0.000 1.044 391 M CB 1.096 33.764 32.600 0.113 0.000 1.506 391 M HN 0.493 nan 8.290 nan 0.000 0.475 392 A N 1.525 124.533 122.820 0.314 0.000 2.312 392 A HA 0.678 4.995 4.320 -0.005 0.000 0.326 392 A C -0.629 177.238 177.584 0.473 0.000 1.172 392 A CA -0.643 51.599 52.037 0.342 0.000 0.821 392 A CB 0.765 19.712 19.000 -0.089 0.000 1.166 392 A HN 0.581 nan 8.150 nan 0.000 0.493 393 V N 3.091 123.260 119.914 0.425 0.000 2.394 393 V HA 0.270 4.387 4.120 -0.005 0.000 0.282 393 V C -0.624 175.575 176.094 0.175 0.000 1.031 393 V CA -0.489 61.950 62.300 0.231 0.000 0.881 393 V CB 1.371 33.298 31.823 0.173 0.000 0.982 393 V HN 0.868 nan 8.190 nan 0.000 0.451 394 W N 7.413 128.687 121.300 -0.043 0.000 2.283 394 W HA 0.326 4.983 4.660 -0.005 0.000 0.317 394 W C -0.907 175.605 176.519 -0.013 0.000 1.042 394 W CA -1.645 55.649 57.345 -0.084 0.000 1.348 394 W CB 1.211 30.575 29.460 -0.160 0.000 1.216 394 W HN 0.728 nan 8.180 nan 0.000 0.404 395 W N 8.969 130.208 121.300 -0.102 0.000 2.291 395 W HA 0.202 4.859 4.660 -0.005 0.000 0.312 395 W C -0.206 176.371 176.519 0.096 0.000 1.061 395 W CA -0.556 56.776 57.345 -0.020 0.000 1.296 395 W CB 0.891 30.262 29.460 -0.148 0.000 1.223 395 W HN 0.281 nan 8.180 nan 0.000 0.421 396 N N 6.275 124.860 118.700 -0.191 0.000 3.254 396 N HA -0.013 4.723 4.740 -0.005 0.000 0.308 396 N C -1.560 173.808 175.510 -0.236 0.000 1.281 396 N CA 0.493 53.487 53.050 -0.095 0.000 1.212 396 N CB -0.354 38.159 38.487 0.044 0.000 1.478 396 N HN 0.436 nan 8.380 nan 0.000 0.548 397 Y N 0.342 120.416 120.300 -0.377 0.000 2.424 397 Y HA 0.245 4.792 4.550 -0.005 0.000 0.323 397 Y C -2.407 173.520 175.900 0.046 0.000 1.174 397 Y CA -1.357 56.638 58.100 -0.174 0.000 1.060 397 Y CB 2.175 40.474 38.460 -0.267 0.000 1.314 397 Y HN 0.053 nan 8.280 nan 0.000 0.439 398 P HA 0.046 nan 4.420 nan 0.000 0.258 398 P C 0.118 177.232 177.300 -0.309 0.000 1.416 398 P CA 0.291 63.028 63.100 -0.605 0.000 0.927 398 P CB 0.352 31.831 31.700 -0.370 0.000 1.444 399 V N 2.081 121.927 119.914 -0.113 0.000 2.843 399 V HA -0.014 4.102 4.120 -0.005 0.000 0.305 399 V C 1.147 177.178 176.094 -0.105 0.000 1.120 399 V CA 1.905 64.174 62.300 -0.052 0.000 1.254 399 V CB 0.288 32.178 31.823 0.111 0.000 0.901 399 V HN 0.406 nan 8.190 nan 0.000 0.503 400 T N 0.420 114.850 114.554 -0.206 0.000 3.275 400 T HA 0.168 4.514 4.350 -0.005 0.000 0.298 400 T C 0.830 175.309 174.700 -0.368 0.000 0.988 400 T CA 0.298 62.157 62.100 -0.401 0.000 0.936 400 T CB -0.117 68.610 68.868 -0.233 0.000 1.159 400 T HN 0.829 nan 8.240 nan 0.000 0.519 401 D N 2.187 122.511 120.400 -0.126 0.000 2.221 401 D HA -0.230 4.406 4.640 -0.005 0.000 0.204 401 D C 1.465 177.821 176.300 0.092 0.000 0.982 401 D CA 1.281 55.314 54.000 0.056 0.000 0.857 401 D CB -0.784 40.182 40.800 0.277 0.000 0.934 401 D HN 0.760 nan 8.370 nan 0.000 0.475 402 Y N -2.801 117.593 120.300 0.156 0.000 2.466 402 Y HA 0.402 4.949 4.550 -0.005 0.000 0.272 402 Y C 0.037 176.055 175.900 0.197 0.000 1.169 402 Y CA -1.118 57.081 58.100 0.166 0.000 1.285 402 Y CB -0.115 38.434 38.460 0.149 0.000 1.078 402 Y HN -0.085 nan 8.280 nan 0.000 0.523 403 F N 1.582 121.229 119.950 -0.505 0.000 3.020 403 F HA 0.397 4.921 4.527 -0.005 0.000 0.389 403 F C 0.325 175.940 175.800 -0.309 0.000 1.265 403 F CA -1.479 56.315 58.000 -0.344 0.000 1.195 403 F CB 0.480 39.264 39.000 -0.360 0.000 2.250 403 F HN -0.167 nan 8.300 nan 0.000 0.627 404 K N 0.617 120.822 120.400 -0.327 0.000 2.366 404 K HA 0.074 4.391 4.320 -0.005 0.000 0.198 404 K C 2.024 178.446 176.600 -0.297 0.000 1.044 404 K CA 0.803 56.995 56.287 -0.158 0.000 0.973 404 K CB 0.130 32.696 32.500 0.109 0.000 0.767 404 K HN 0.650 nan 8.250 nan 0.000 0.475 405 G N 1.796 110.056 108.800 -0.901 0.000 2.471 405 G HA2 -0.203 3.754 3.960 -0.005 0.000 0.219 405 G HA3 -0.203 3.754 3.960 -0.005 0.000 0.219 405 G C 0.492 175.014 174.900 -0.630 0.000 1.125 405 G CA 0.291 44.615 45.100 -1.293 0.000 0.775 405 G HN 0.148 nan 8.290 nan 0.000 0.548 406 K N 0.209 120.330 120.400 -0.465 0.000 2.185 406 K HA 0.544 4.861 4.320 -0.005 0.000 0.269 406 K C -0.521 176.019 176.600 -0.100 0.000 0.987 406 K CA -0.715 55.464 56.287 -0.180 0.000 0.865 406 K CB 0.906 33.417 32.500 0.019 0.000 1.090 406 K HN -0.022 nan 8.250 nan 0.000 0.450 407 L N 3.244 124.426 121.223 -0.068 0.000 2.305 407 L HA 0.391 4.727 4.340 -0.005 0.000 0.281 407 L C 0.028 176.868 176.870 -0.049 0.000 1.085 407 L CA -0.676 54.140 54.840 -0.040 0.000 0.813 407 L CB 1.535 43.582 42.059 -0.020 0.000 1.157 407 L HN 0.704 nan 8.230 nan 0.000 0.436 408 A N 4.594 127.366 122.820 -0.080 0.000 2.366 408 A HA 0.547 4.864 4.320 -0.005 0.000 0.322 408 A C 0.005 177.561 177.584 -0.045 0.000 1.397 408 A CA -0.284 51.664 52.037 -0.148 0.000 0.984 408 A CB 0.093 18.797 19.000 -0.493 0.000 1.149 408 A HN 0.584 nan 8.150 nan 0.000 0.540 409 L N 2.809 124.089 121.223 0.096 0.000 3.110 409 L HA 0.328 4.665 4.340 -0.005 0.000 0.266 409 L C 1.071 178.205 176.870 0.440 0.000 1.257 409 L CA 0.132 55.105 54.840 0.222 0.000 1.038 409 L CB 0.251 42.405 42.059 0.158 0.000 1.395 409 L HN 0.704 nan 8.230 nan 0.000 0.566 410 G N -0.430 108.632 108.800 0.437 0.000 2.552 410 G HA2 0.663 4.620 3.960 -0.005 0.000 0.324 410 G HA3 0.663 4.620 3.960 -0.005 0.000 0.324 410 G C -2.768 172.460 174.900 0.547 0.000 1.217 410 G CA -1.100 44.227 45.100 0.377 0.000 0.989 410 G HN -0.099 nan 8.290 nan 0.000 0.490 411 P HA 0.199 nan 4.420 nan 0.000 0.276 411 P C -0.033 177.493 177.300 0.377 0.000 1.261 411 P CA -0.556 62.851 63.100 0.512 0.000 0.800 411 P CB 0.721 32.755 31.700 0.557 0.000 1.066 412 M N 1.552 121.387 119.600 0.392 0.000 2.290 412 M HA -0.005 4.472 4.480 -0.005 0.000 0.356 412 M C 0.586 176.964 176.300 0.129 0.000 1.448 412 M CA 1.290 56.684 55.300 0.157 0.000 0.993 412 M CB -1.569 30.901 32.600 -0.217 0.000 1.934 412 M HN 0.508 nan 8.290 nan 0.000 0.461 413 H N 0.883 119.874 119.070 -0.131 0.000 2.856 413 H HA 0.407 4.960 4.556 -0.005 0.000 0.355 413 H C 0.684 175.909 175.328 -0.172 0.000 1.079 413 H CA 0.879 56.788 56.048 -0.230 0.000 1.240 413 H CB 1.469 30.989 29.762 -0.404 0.000 1.701 413 H HN 0.846 nan 8.280 nan 0.000 0.527 414 G N 3.886 112.312 108.800 -0.623 0.000 2.175 414 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.244 414 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.244 414 G C -0.105 174.622 174.900 -0.288 0.000 0.982 414 G CA 0.199 45.065 45.100 -0.389 0.000 0.641 414 G HN 0.510 nan 8.290 nan 0.000 0.527 415 L N 1.927 122.893 121.223 -0.429 0.000 2.281 415 L HA 0.357 4.694 4.340 -0.005 0.000 0.285 415 L C 0.683 177.447 176.870 -0.176 0.000 1.074 415 L CA -0.733 53.826 54.840 -0.469 0.000 0.817 415 L CB 0.981 42.480 42.059 -0.933 0.000 1.168 415 L HN 0.165 nan 8.230 nan 0.000 0.434 416 D N 3.056 123.433 120.400 -0.037 0.000 2.525 416 D HA -0.081 4.556 4.640 -0.005 0.000 0.235 416 D C 0.628 177.016 176.300 0.146 0.000 1.137 416 D CA 0.378 54.416 54.000 0.064 0.000 0.868 416 D CB 0.982 41.836 40.800 0.091 0.000 1.180 416 D HN 0.508 nan 8.370 nan 0.000 0.465 417 K N 1.732 122.216 120.400 0.141 0.000 2.525 417 K HA 0.040 4.357 4.320 -0.005 0.000 0.192 417 K C 1.400 178.022 176.600 0.037 0.000 1.029 417 K CA 0.278 56.646 56.287 0.136 0.000 1.029 417 K CB 0.411 32.999 32.500 0.146 0.000 0.814 417 K HN 0.420 nan 8.250 nan 0.000 0.503 418 G N 0.142 108.973 108.800 0.052 0.000 3.502 418 G HA2 -0.004 3.953 3.960 -0.005 0.000 0.267 418 G HA3 -0.004 3.953 3.960 -0.005 0.000 0.267 418 G C 0.807 175.735 174.900 0.047 0.000 1.090 418 G CA -0.265 44.851 45.100 0.027 0.000 0.795 418 G HN 0.055 nan 8.290 nan 0.000 0.535 419 L N 1.740 123.007 121.223 0.073 0.000 2.265 419 L HA -0.054 4.283 4.340 -0.005 0.000 0.215 419 L C 2.515 179.454 176.870 0.114 0.000 1.117 419 L CA 1.765 56.694 54.840 0.148 0.000 0.782 419 L CB -0.563 41.601 42.059 0.175 0.000 0.914 419 L HN 0.602 nan 8.230 nan 0.000 0.441 420 N N -1.614 117.086 118.700 -0.001 0.000 2.519 420 N HA -0.277 4.459 4.740 -0.005 0.000 0.186 420 N C 1.750 177.230 175.510 -0.050 0.000 1.062 420 N CA 0.885 53.922 53.050 -0.023 0.000 0.910 420 N CB -0.439 37.993 38.487 -0.092 0.000 0.958 420 N HN 0.551 nan 8.380 nan 0.000 0.445 421 Q N -0.633 119.093 119.800 -0.123 0.000 2.170 421 Q HA -0.166 4.171 4.340 -0.005 0.000 0.203 421 Q C 0.426 176.132 176.000 -0.491 0.000 0.976 421 Q CA 1.324 56.909 55.803 -0.363 0.000 0.858 421 Q CB 0.047 28.454 28.738 -0.552 0.000 0.907 421 Q HN 0.665 nan 8.270 nan 0.000 0.433 422 Y N -1.896 118.455 120.300 0.085 0.000 2.471 422 Y HA 0.338 4.885 4.550 -0.005 0.000 0.249 422 Y C -0.460 175.524 175.900 0.139 0.000 1.116 422 Y CA -0.439 57.716 58.100 0.092 0.000 1.240 422 Y CB 1.497 40.003 38.460 0.078 0.000 1.251 422 Y HN -0.197 nan 8.280 nan 0.000 0.527 423 V N 1.762 121.843 119.914 0.277 0.000 2.588 423 V HA 0.261 4.378 4.120 -0.005 0.000 0.304 423 V C -0.363 175.871 176.094 0.233 0.000 1.042 423 V CA -0.639 61.852 62.300 0.319 0.000 0.877 423 V CB 1.956 34.022 31.823 0.404 0.000 0.996 423 V HN 0.279 nan 8.190 nan 0.000 0.425 424 D N 2.088 122.650 120.400 0.271 0.000 2.503 424 D HA 0.152 4.789 4.640 -0.005 0.000 0.218 424 D C -0.338 176.136 176.300 0.290 0.000 1.183 424 D CA 0.005 54.138 54.000 0.222 0.000 0.827 424 D CB 0.544 41.458 40.800 0.189 0.000 1.034 424 D HN 0.318 nan 8.370 nan 0.000 0.510 425 F N 0.889 120.964 119.950 0.209 0.000 2.730 425 F HA 0.461 4.985 4.527 -0.005 0.000 0.335 425 F C -2.146 173.821 175.800 0.277 0.000 1.212 425 F CA -1.267 56.860 58.000 0.211 0.000 1.016 425 F CB 1.532 40.645 39.000 0.189 0.000 1.290 425 F HN -0.198 nan 8.300 nan 0.000 0.495 426 F N 5.779 125.831 119.950 0.169 0.000 2.539 426 F HA 0.625 5.149 4.527 -0.005 0.000 0.328 426 F C -0.839 175.029 175.800 0.114 0.000 1.148 426 F CA -0.220 57.888 58.000 0.181 0.000 0.940 426 F CB 1.450 40.522 39.000 0.119 0.000 1.194 426 F HN 0.438 nan 8.300 nan 0.000 0.438 427 T N 3.307 117.580 114.554 -0.469 0.000 2.906 427 T HA 0.746 5.093 4.350 -0.005 0.000 0.295 427 T C -0.833 173.531 174.700 -0.559 0.000 1.061 427 T CA -0.767 61.097 62.100 -0.393 0.000 1.000 427 T CB 1.426 70.195 68.868 -0.166 0.000 1.103 427 T HN 0.765 nan 8.240 nan 0.000 0.486 428 V N 0.075 119.797 119.914 -0.320 0.000 2.581 428 V HA 0.729 4.846 4.120 -0.005 0.000 0.303 428 V C -0.377 175.567 176.094 -0.250 0.000 1.041 428 V CA -1.029 61.175 62.300 -0.159 0.000 0.907 428 V CB 1.456 33.357 31.823 0.130 0.000 0.994 428 V HN 0.943 nan 8.190 nan 0.000 0.442 429 N N 5.917 124.443 118.700 -0.291 0.000 2.414 429 N HA 0.575 5.311 4.740 -0.005 0.000 0.256 429 N C -2.400 173.102 175.510 -0.013 0.000 1.029 429 N CA -1.799 51.093 53.050 -0.265 0.000 0.948 429 N CB 1.405 39.748 38.487 -0.240 0.000 1.102 429 N HN 0.653 nan 8.380 nan 0.000 0.496 430 P HA 0.317 nan 4.420 nan 0.000 0.310 430 P C -0.323 176.958 177.300 -0.032 0.000 1.309 430 P CA -0.534 62.646 63.100 0.134 0.000 0.769 430 P CB 1.109 33.045 31.700 0.393 0.000 1.327 431 M N 0.030 119.597 119.600 -0.055 0.000 2.247 431 M HA 0.148 4.625 4.480 -0.005 0.000 0.326 431 M C 1.799 177.736 176.300 -0.604 0.000 1.134 431 M CA -0.101 55.016 55.300 -0.305 0.000 1.136 431 M CB 0.350 32.905 32.600 -0.076 0.000 1.454 431 M HN 0.460 nan 8.290 nan 0.000 0.467 432 E N 0.216 119.772 120.200 -1.072 0.000 2.331 432 E HA -0.169 4.177 4.350 -0.005 0.000 0.199 432 E C -0.213 176.267 176.600 -0.200 0.000 1.008 432 E CA 1.099 56.981 56.400 -0.863 0.000 0.843 432 E CB -0.228 29.096 29.700 -0.628 0.000 0.761 432 E HN 0.514 nan 8.360 nan 0.000 0.507 433 H N 0.550 119.639 119.070 0.032 0.000 2.969 433 H HA 0.337 4.890 4.556 -0.005 0.000 0.269 433 H C 0.736 176.077 175.328 0.022 0.000 1.223 433 H CA 0.228 56.298 56.048 0.037 0.000 1.400 433 H CB 1.217 30.983 29.762 0.007 0.000 1.500 433 H HN 0.250 nan 8.280 nan 0.000 0.486 434 A N 3.052 125.827 122.820 -0.074 0.000 1.898 434 A HA -0.195 4.122 4.320 -0.005 0.000 0.216 434 A C 2.320 179.719 177.584 -0.309 0.000 1.181 434 A CA 1.546 53.284 52.037 -0.499 0.000 0.620 434 A CB 0.002 18.305 19.000 -1.162 0.000 0.819 434 A HN 0.545 nan 8.150 nan 0.000 0.442 435 E N 0.188 120.268 120.200 -0.200 0.000 2.047 435 E HA -0.060 4.287 4.350 -0.005 0.000 0.191 435 E C 1.769 178.314 176.600 -0.093 0.000 0.987 435 E CA 1.156 57.443 56.400 -0.188 0.000 0.799 435 E CB -0.339 29.280 29.700 -0.136 0.000 0.752 435 E HN 0.558 nan 8.360 nan 0.000 0.449 436 L N 0.096 121.329 121.223 0.017 0.000 2.395 436 L HA 0.010 4.347 4.340 -0.005 0.000 0.218 436 L C 2.145 179.079 176.870 0.107 0.000 1.130 436 L CA 0.532 55.428 54.840 0.095 0.000 0.826 436 L CB -0.121 42.003 42.059 0.108 0.000 0.941 436 L HN 0.067 nan 8.230 nan 0.000 0.451 437 S N -0.026 115.732 115.700 0.098 0.000 2.440 437 S HA -0.157 4.310 4.470 -0.005 0.000 0.238 437 S C 1.862 176.575 174.600 0.189 0.000 1.010 437 S CA 1.077 59.372 58.200 0.159 0.000 0.972 437 S CB -0.091 63.255 63.200 0.242 0.000 0.774 437 S HN 0.400 nan 8.310 nan 0.000 0.501 438 K N 0.707 121.149 120.400 0.070 0.000 2.148 438 K HA 0.012 4.329 4.320 -0.005 0.000 0.204 438 K C 1.783 178.553 176.600 0.284 0.000 1.050 438 K CA 0.918 57.234 56.287 0.049 0.000 0.942 438 K CB -0.273 31.939 32.500 -0.480 0.000 0.724 438 K HN 0.361 nan 8.250 nan 0.000 0.446 439 I N 0.370 121.080 120.570 0.233 0.000 2.113 439 I HA -0.317 3.850 4.170 -0.005 0.000 0.238 439 I C 2.609 178.953 176.117 0.378 0.000 1.070 439 I CA 1.221 62.675 61.300 0.257 0.000 1.332 439 I CB -0.342 37.780 38.000 0.203 0.000 1.044 439 I HN 0.093 nan 8.210 nan 0.000 0.402 440 S N 0.545 116.476 115.700 0.385 0.000 2.383 440 S HA -0.102 4.365 4.470 -0.005 0.000 0.227 440 S C 2.060 176.935 174.600 0.459 0.000 1.026 440 S CA 1.136 59.608 58.200 0.455 0.000 0.981 440 S CB -0.350 63.103 63.200 0.421 0.000 0.818 440 S HN 0.276 nan 8.310 nan 0.000 0.472 441 I N 1.077 121.916 120.570 0.448 0.000 2.163 441 I HA -0.213 3.954 4.170 -0.005 0.000 0.243 441 I C 2.552 178.933 176.117 0.441 0.000 1.085 441 I CA 1.657 63.231 61.300 0.457 0.000 1.347 441 I CB -0.576 37.763 38.000 0.564 0.000 1.044 441 I HN 0.462 nan 8.210 nan 0.000 0.408 442 H N 1.097 120.423 119.070 0.427 0.000 2.357 442 H HA -0.230 4.323 4.556 -0.005 0.000 0.296 442 H C 2.362 177.851 175.328 0.268 0.000 1.108 442 H CA 2.463 58.703 56.048 0.321 0.000 1.273 442 H CB -0.021 29.957 29.762 0.361 0.000 1.367 442 H HN 0.465 nan 8.280 nan 0.000 0.498 443 T N -1.919 112.929 114.554 0.490 0.000 2.904 443 T HA 0.086 4.433 4.350 -0.005 0.000 0.267 443 T C 2.269 177.168 174.700 0.332 0.000 1.059 443 T CA 1.093 63.484 62.100 0.485 0.000 1.137 443 T CB -0.559 68.663 68.868 0.589 0.000 0.879 443 T HN 0.367 nan 8.240 nan 0.000 0.467 444 A N 1.873 124.876 122.820 0.305 0.000 1.940 444 A HA 0.291 4.608 4.320 -0.005 0.000 0.219 444 A C 2.818 180.518 177.584 0.193 0.000 1.176 444 A CA 1.871 54.077 52.037 0.281 0.000 0.631 444 A CB -1.395 17.855 19.000 0.415 0.000 0.814 444 A HN 0.778 nan 8.150 nan 0.000 0.446 445 A N -0.184 122.710 122.820 0.123 0.000 1.902 445 A HA -0.202 4.115 4.320 -0.005 0.000 0.217 445 A C 1.863 179.462 177.584 0.025 0.000 1.181 445 A CA 2.191 54.236 52.037 0.012 0.000 0.623 445 A CB -0.646 18.266 19.000 -0.147 0.000 0.818 445 A HN 0.557 nan 8.150 nan 0.000 0.443 446 D N -2.265 118.175 120.400 0.066 0.000 2.103 446 D HA -0.166 4.471 4.640 -0.005 0.000 0.199 446 D C 1.770 178.153 176.300 0.137 0.000 0.978 446 D CA 1.349 55.436 54.000 0.144 0.000 0.829 446 D CB -0.270 40.695 40.800 0.275 0.000 0.981 446 D HN 0.468 nan 8.370 nan 0.000 0.464 447 Y N 1.142 121.331 120.300 -0.185 0.000 2.081 447 Y HA -0.249 4.298 4.550 -0.005 0.000 0.280 447 Y C 2.422 178.111 175.900 -0.352 0.000 1.163 447 Y CA 2.516 60.261 58.100 -0.592 0.000 1.135 447 Y CB -0.792 36.993 38.460 -1.124 0.000 0.970 447 Y HN 0.101 nan 8.280 nan 0.000 0.498 448 S N -0.549 114.923 115.700 -0.380 0.000 2.436 448 S HA -0.166 4.301 4.470 -0.005 0.000 0.228 448 S C 1.970 176.444 174.600 -0.210 0.000 1.014 448 S CA 0.686 58.630 58.200 -0.426 0.000 0.950 448 S CB -1.092 62.028 63.200 -0.134 0.000 0.784 448 S HN 0.755 nan 8.310 nan 0.000 0.504 449 W N 2.369 123.523 121.300 -0.244 0.000 2.525 449 W HA 0.328 4.985 4.660 -0.005 0.000 0.288 449 W C 0.104 176.499 176.519 -0.207 0.000 1.200 449 W CA 0.424 57.652 57.345 -0.195 0.000 1.349 449 W CB -0.113 29.244 29.460 -0.171 0.000 1.102 449 W HN 0.305 nan 8.180 nan 0.000 0.558 450 N N 1.369 120.100 118.700 0.051 0.000 2.844 450 N HA 0.083 4.820 4.740 -0.005 0.000 0.268 450 N C 0.758 176.226 175.510 -0.071 0.000 1.574 450 N CA -0.060 52.977 53.050 -0.022 0.000 0.838 450 N CB -0.095 38.464 38.487 0.119 0.000 1.177 450 N HN 0.036 nan 8.380 nan 0.000 0.495 451 M N 0.272 119.736 119.600 -0.228 0.000 2.132 451 M HA -0.130 4.347 4.480 -0.005 0.000 0.263 451 M C 1.014 177.267 176.300 -0.078 0.000 1.065 451 M CA 1.705 56.813 55.300 -0.320 0.000 1.122 451 M CB 0.129 32.429 32.600 -0.500 0.000 1.365 451 M HN 0.231 nan 8.290 nan 0.000 0.411 452 D N 0.209 120.569 120.400 -0.066 0.000 2.178 452 D HA -0.120 4.517 4.640 -0.005 0.000 0.201 452 D C 1.174 177.495 176.300 0.035 0.000 0.980 452 D CA 1.093 55.086 54.000 -0.012 0.000 0.842 452 D CB 0.016 40.797 40.800 -0.032 0.000 0.948 452 D HN 0.403 nan 8.370 nan 0.000 0.472 453 N N -0.755 117.971 118.700 0.043 0.000 2.280 453 N HA -0.082 4.655 4.740 -0.005 0.000 0.192 453 N C -0.311 175.255 175.510 0.094 0.000 1.109 453 N CA -0.185 52.896 53.050 0.051 0.000 0.855 453 N CB 0.243 38.745 38.487 0.024 0.000 0.974 453 N HN 0.245 nan 8.380 nan 0.000 0.482 454 Y N 2.983 123.306 120.300 0.039 0.000 2.802 454 Y HA -0.075 4.472 4.550 -0.005 0.000 0.333 454 Y C -0.010 175.948 175.900 0.098 0.000 1.244 454 Y CA 0.090 58.251 58.100 0.101 0.000 1.558 454 Y CB 0.119 38.700 38.460 0.201 0.000 1.233 454 Y HN -0.069 nan 8.280 nan 0.000 0.547 455 D N 5.954 126.020 120.400 -0.558 0.000 2.471 455 D HA 0.019 4.656 4.640 -0.005 0.000 0.245 455 D C 0.284 176.145 176.300 -0.732 0.000 1.116 455 D CA -0.598 53.097 54.000 -0.507 0.000 0.853 455 D CB 0.381 41.018 40.800 -0.270 0.000 1.123 455 D HN 0.615 nan 8.370 nan 0.000 0.540 456 Y N 2.696 122.639 120.300 -0.594 0.000 2.224 456 Y HA -0.062 4.485 4.550 -0.005 0.000 0.289 456 Y C 1.591 177.467 175.900 -0.041 0.000 1.146 456 Y CA 1.451 59.342 58.100 -0.349 0.000 1.182 456 Y CB -0.535 37.944 38.460 0.030 0.000 0.983 456 Y HN 0.322 nan 8.280 nan 0.000 0.524 457 D N 0.395 120.525 120.400 -0.451 0.000 2.097 457 D HA -0.157 4.480 4.640 -0.005 0.000 0.197 457 D C 1.890 178.231 176.300 0.068 0.000 0.984 457 D CA 1.765 55.693 54.000 -0.120 0.000 0.826 457 D CB -0.058 40.571 40.800 -0.285 0.000 0.973 457 D HN 0.391 nan 8.370 nan 0.000 0.460 458 K N -0.019 120.345 120.400 -0.059 0.000 2.026 458 K HA -0.058 4.259 4.320 -0.005 0.000 0.208 458 K C 2.247 178.895 176.600 0.080 0.000 1.048 458 K CA 1.139 57.428 56.287 0.004 0.000 0.929 458 K CB -0.249 32.219 32.500 -0.053 0.000 0.713 458 K HN 0.145 nan 8.250 nan 0.000 0.439 459 A N 0.749 123.612 122.820 0.072 0.000 1.917 459 A HA -0.219 4.097 4.320 -0.005 0.000 0.219 459 A C 1.939 179.719 177.584 0.328 0.000 1.182 459 A CA 1.582 53.752 52.037 0.221 0.000 0.633 459 A CB -0.920 18.253 19.000 0.287 0.000 0.819 459 A HN 0.627 nan 8.150 nan 0.000 0.448 460 W N 1.185 122.577 121.300 0.154 0.000 2.381 460 W HA -0.129 4.528 4.660 -0.005 0.000 0.301 460 W C 2.051 178.630 176.519 0.100 0.000 1.205 460 W CA 1.688 59.132 57.345 0.166 0.000 1.285 460 W CB -0.239 29.323 29.460 0.171 0.000 1.133 460 W HN 0.347 nan 8.180 nan 0.000 0.521 461 N N 0.382 119.180 118.700 0.163 0.000 2.084 461 N HA -0.217 4.520 4.740 -0.005 0.000 0.190 461 N C 1.859 177.303 175.510 -0.110 0.000 1.030 461 N CA 1.819 54.834 53.050 -0.058 0.000 0.849 461 N CB -0.582 37.953 38.487 0.079 0.000 1.012 461 N HN 0.225 nan 8.380 nan 0.000 0.423 462 R N 0.987 121.484 120.500 -0.004 0.000 2.091 462 R HA -0.084 4.253 4.340 -0.005 0.000 0.238 462 R C 2.229 178.462 176.300 -0.112 0.000 1.136 462 R CA 1.510 57.615 56.100 0.008 0.000 0.959 462 R CB -0.256 30.117 30.300 0.120 0.000 0.856 462 R HN 0.178 nan 8.270 nan 0.000 0.437 463 A N 0.808 123.523 122.820 -0.175 0.000 1.873 463 A HA -0.202 4.115 4.320 -0.005 0.000 0.218 463 A C 2.171 179.521 177.584 -0.389 0.000 1.193 463 A CA 1.820 53.518 52.037 -0.564 0.000 0.629 463 A CB -0.629 18.275 19.000 -0.159 0.000 0.826 463 A HN 0.379 nan 8.150 nan 0.000 0.447 464 I N -0.437 119.935 120.570 -0.329 0.000 2.252 464 I HA -0.199 3.968 4.170 -0.005 0.000 0.245 464 I C 1.915 177.973 176.117 -0.098 0.000 1.102 464 I CA 1.292 62.455 61.300 -0.229 0.000 1.385 464 I CB -0.493 37.192 38.000 -0.525 0.000 1.064 464 I HN 0.251 nan 8.210 nan 0.000 0.414 465 D N 0.831 121.149 120.400 -0.136 0.000 2.104 465 D HA -0.202 4.435 4.640 -0.005 0.000 0.194 465 D C 2.284 178.555 176.300 -0.048 0.000 0.994 465 D CA 1.612 55.571 54.000 -0.069 0.000 0.830 465 D CB -0.191 40.574 40.800 -0.058 0.000 0.959 465 D HN 0.320 nan 8.370 nan 0.000 0.452 466 M N -0.338 119.213 119.600 -0.083 0.000 2.254 466 M HA -0.030 4.447 4.480 -0.005 0.000 0.265 466 M C 2.141 178.405 176.300 -0.060 0.000 1.066 466 M CA 0.759 56.028 55.300 -0.052 0.000 1.123 466 M CB 0.084 32.677 32.600 -0.011 0.000 1.388 466 M HN -0.022 nan 8.290 nan 0.000 0.425 467 L N -2.142 119.025 121.223 -0.094 0.000 2.249 467 L HA -0.079 4.258 4.340 -0.005 0.000 0.207 467 L C 1.423 178.081 176.870 -0.353 0.000 1.090 467 L CA 0.869 55.600 54.840 -0.181 0.000 0.802 467 L CB -0.046 41.913 42.059 -0.168 0.000 0.947 467 L HN 0.226 nan 8.230 nan 0.000 0.453 468 Y N -0.970 119.270 120.300 -0.101 0.000 2.430 468 Y HA 0.308 4.855 4.550 -0.005 0.000 0.248 468 Y C 1.776 177.634 175.900 -0.070 0.000 1.108 468 Y CA 0.258 58.307 58.100 -0.085 0.000 1.264 468 Y CB 0.341 38.746 38.460 -0.092 0.000 1.172 468 Y HN 0.164 nan 8.280 nan 0.000 0.520 469 G N 1.073 109.892 108.800 0.032 0.000 2.634 469 G HA2 -0.473 3.484 3.960 -0.005 0.000 0.318 469 G HA3 -0.473 3.484 3.960 -0.005 0.000 0.318 469 G C 0.917 175.824 174.900 0.013 0.000 1.207 469 G CA 1.047 46.149 45.100 0.002 0.000 0.987 469 G HN 0.287 nan 8.290 nan 0.000 0.547 470 D N 0.621 121.025 120.400 0.006 0.000 2.221 470 D HA 0.006 4.643 4.640 -0.005 0.000 0.204 470 D C 2.435 178.744 176.300 0.015 0.000 0.982 470 D CA 1.191 55.194 54.000 0.005 0.000 0.857 470 D CB -0.146 40.652 40.800 -0.003 0.000 0.934 470 D HN 0.366 nan 8.370 nan 0.000 0.475 471 L N -0.305 120.944 121.223 0.043 0.000 2.592 471 L HA 0.250 4.586 4.340 -0.005 0.000 0.227 471 L C 2.153 179.036 176.870 0.023 0.000 1.127 471 L CA -0.080 54.786 54.840 0.043 0.000 0.884 471 L CB 0.012 42.118 42.059 0.078 0.000 1.065 471 L HN -0.074 nan 8.230 nan 0.000 0.457 472 A N 0.384 123.224 122.820 0.032 0.000 1.917 472 A HA -0.212 4.105 4.320 -0.005 0.000 0.219 472 A C 2.227 179.770 177.584 -0.067 0.000 1.182 472 A CA 1.601 53.625 52.037 -0.021 0.000 0.633 472 A CB -0.190 18.800 19.000 -0.017 0.000 0.819 472 A HN 0.317 nan 8.150 nan 0.000 0.448 473 E N 0.376 120.557 120.200 -0.033 0.000 2.047 473 E HA -0.157 4.190 4.350 -0.005 0.000 0.191 473 E C 1.648 178.245 176.600 -0.005 0.000 0.987 473 E CA 1.329 57.718 56.400 -0.019 0.000 0.799 473 E CB -0.549 29.148 29.700 -0.005 0.000 0.752 473 E HN 0.580 nan 8.360 nan 0.000 0.449 474 D N 0.294 120.690 120.400 -0.007 0.000 2.149 474 D HA -0.166 4.471 4.640 -0.005 0.000 0.198 474 D C 1.943 178.246 176.300 0.006 0.000 0.990 474 D CA 0.970 54.972 54.000 0.003 0.000 0.839 474 D CB -0.205 40.586 40.800 -0.014 0.000 0.948 474 D HN 0.099 nan 8.370 nan 0.000 0.460 475 M N 0.842 120.400 119.600 -0.070 0.000 2.175 475 M HA -0.083 4.394 4.480 -0.005 0.000 0.264 475 M C 1.736 178.012 176.300 -0.040 0.000 1.063 475 M CA 1.455 56.675 55.300 -0.134 0.000 1.119 475 M CB 0.014 32.321 32.600 -0.489 0.000 1.377 475 M HN -0.216 nan 8.290 nan 0.000 0.415 476 K N -0.906 119.443 120.400 -0.084 0.000 2.044 476 K HA -0.166 4.151 4.320 -0.005 0.000 0.210 476 K C 1.775 178.512 176.600 0.227 0.000 1.049 476 K CA 1.812 58.100 56.287 0.002 0.000 0.927 476 K CB -0.589 31.887 32.500 -0.040 0.000 0.713 476 K HN 0.241 nan 8.250 nan 0.000 0.443 477 V N 0.984 121.005 119.914 0.179 0.000 2.287 477 V HA -0.270 3.847 4.120 -0.005 0.000 0.248 477 V C 1.976 178.261 176.094 0.318 0.000 1.053 477 V CA 2.011 64.446 62.300 0.226 0.000 1.027 477 V CB -0.505 31.418 31.823 0.166 0.000 0.646 477 V HN 0.275 nan 8.190 nan 0.000 0.447 478 F N 1.414 121.437 119.950 0.121 0.000 2.118 478 F HA 0.061 4.585 4.527 -0.005 0.000 0.293 478 F C 2.296 178.197 175.800 0.169 0.000 1.102 478 F CA 1.357 59.420 58.000 0.105 0.000 1.247 478 F CB -0.706 38.300 39.000 0.009 0.000 1.017 478 F HN 0.036 nan 8.300 nan 0.000 0.475 479 A N 0.469 123.285 122.820 -0.006 0.000 1.978 479 A HA -0.260 4.056 4.320 -0.005 0.000 0.220 479 A C 1.986 179.669 177.584 0.164 0.000 1.170 479 A CA 1.869 53.902 52.037 -0.007 0.000 0.636 479 A CB -1.317 17.819 19.000 0.227 0.000 0.810 479 A HN 0.577 nan 8.150 nan 0.000 0.448 480 N N -0.310 118.555 118.700 0.276 0.000 2.192 480 N HA -0.187 4.550 4.740 -0.005 0.000 0.188 480 N C 1.387 176.772 175.510 -0.208 0.000 1.013 480 N CA 1.537 54.583 53.050 -0.006 0.000 0.863 480 N CB -0.465 38.059 38.487 0.062 0.000 0.990 480 N HN 0.662 nan 8.380 nan 0.000 0.430 481 H N -1.926 117.074 119.070 -0.118 0.000 2.539 481 H HA 0.207 4.760 4.556 -0.005 0.000 0.267 481 H C 0.214 175.435 175.328 -0.178 0.000 0.982 481 H CA 0.376 56.341 56.048 -0.137 0.000 1.146 481 H CB 0.388 30.081 29.762 -0.116 0.000 1.382 481 H HN 0.059 nan 8.280 nan 0.000 0.577 482 S N 0.242 115.866 115.700 -0.127 0.000 2.526 482 S HA 0.072 4.539 4.470 -0.005 0.000 0.220 482 S C 1.226 175.797 174.600 -0.048 0.000 1.159 482 S CA -0.207 57.916 58.200 -0.127 0.000 1.196 482 S CB -0.017 63.018 63.200 -0.275 0.000 1.225 482 S HN 0.547 nan 8.310 nan 0.000 0.432 483 T N -1.296 113.225 114.554 -0.056 0.000 3.018 483 T HA 0.313 4.660 4.350 -0.005 0.000 0.246 483 T C 0.755 175.493 174.700 0.064 0.000 1.026 483 T CA -0.100 62.000 62.100 -0.001 0.000 1.081 483 T CB 0.044 68.805 68.868 -0.179 0.000 0.970 483 T HN 0.220 nan 8.240 nan 0.000 0.475 484 R N 1.752 122.242 120.500 -0.015 0.000 2.221 484 R HA 0.480 4.816 4.340 -0.005 0.000 0.327 484 R C -0.581 175.742 176.300 0.038 0.000 1.033 484 R CA -0.627 55.462 56.100 -0.018 0.000 0.887 484 R CB 0.091 30.341 30.300 -0.083 0.000 1.057 484 R HN 0.174 nan 8.270 nan 0.000 0.455 485 M N 2.691 122.350 119.600 0.098 0.000 2.264 485 M HA 0.315 4.792 4.480 -0.005 0.000 0.352 485 M C -0.968 175.301 176.300 -0.052 0.000 1.173 485 M CA -0.356 54.987 55.300 0.072 0.000 1.075 485 M CB 1.525 34.247 32.600 0.203 0.000 1.621 485 M HN 0.575 nan 8.290 nan 0.000 0.457 486 D N 2.086 122.356 120.400 -0.218 0.000 2.369 486 D HA 0.087 4.724 4.640 -0.005 0.000 0.212 486 D C -0.213 175.646 176.300 -0.736 0.000 1.326 486 D CA -0.201 53.587 54.000 -0.353 0.000 0.933 486 D CB 0.800 41.445 40.800 -0.258 0.000 1.516 486 D HN 0.619 nan 8.370 nan 0.000 0.557 487 N N 2.895 121.186 118.700 -0.681 0.000 2.383 487 N HA -0.007 4.730 4.740 -0.005 0.000 0.192 487 N C 0.229 175.448 175.510 -0.484 0.000 1.141 487 N CA 0.098 52.665 53.050 -0.805 0.000 0.851 487 N CB -0.019 38.207 38.487 -0.435 0.000 0.976 487 N HN 0.605 nan 8.380 nan 0.000 0.465 488 K N -2.461 117.705 120.400 -0.390 0.000 3.548 488 K HA -0.204 4.113 4.320 -0.005 0.000 0.296 488 K C 0.419 176.929 176.600 -0.150 0.000 1.324 488 K CA 1.492 57.648 56.287 -0.219 0.000 0.976 488 K CB -2.117 30.293 32.500 -0.151 0.000 1.294 488 K HN 0.630 nan 8.250 nan 0.000 0.464 489 T N -2.963 111.473 114.554 -0.196 0.000 2.639 489 T HA 0.142 4.489 4.350 -0.005 0.000 0.156 489 T C 1.097 175.740 174.700 -0.096 0.000 0.817 489 T CA -0.094 61.954 62.100 -0.087 0.000 0.914 489 T CB -0.389 68.509 68.868 0.049 0.000 2.461 489 T HN 0.352 nan 8.240 nan 0.000 0.367 490 W N 2.593 123.839 121.300 -0.091 0.000 2.863 490 W HA 0.682 5.339 4.660 -0.005 0.000 0.258 490 W C 0.195 176.620 176.519 -0.157 0.000 1.298 490 W CA -0.020 57.261 57.345 -0.108 0.000 1.451 490 W CB -0.362 29.037 29.460 -0.101 0.000 1.107 490 W HN 0.559 nan 8.180 nan 0.000 0.641 491 A N 3.279 125.529 122.820 -0.950 0.000 2.258 491 A HA 0.583 4.900 4.320 -0.005 0.000 0.316 491 A C -0.216 177.053 177.584 -0.525 0.000 1.279 491 A CA -0.632 50.815 52.037 -0.983 0.000 0.876 491 A CB 0.492 18.302 19.000 -1.982 0.000 1.170 491 A HN 0.225 nan 8.150 nan 0.000 0.520 492 K N 0.651 120.869 120.400 -0.303 0.000 2.550 492 K HA 0.753 5.070 4.320 -0.005 0.000 0.252 492 K C -1.447 175.091 176.600 -0.103 0.000 0.943 492 K CA -0.426 55.757 56.287 -0.174 0.000 0.806 492 K CB 1.793 34.205 32.500 -0.145 0.000 1.289 492 K HN 0.552 nan 8.250 nan 0.000 0.435 493 S N 0.604 116.276 115.700 -0.046 0.000 2.558 493 S HA 0.769 5.235 4.470 -0.005 0.000 0.277 493 S C -1.264 173.298 174.600 -0.063 0.000 1.143 493 S CA 0.466 58.640 58.200 -0.043 0.000 0.865 493 S CB 1.426 64.569 63.200 -0.094 0.000 1.102 493 S HN 1.534 nan 8.310 nan 0.000 0.454 494 G N 2.743 111.427 108.800 -0.193 0.000 2.392 494 G HA2 0.104 4.061 3.960 -0.005 0.000 0.677 494 G HA3 0.104 4.061 3.960 -0.005 0.000 0.677 494 G C -1.110 173.486 174.900 -0.506 0.000 1.334 494 G CA -0.849 44.002 45.100 -0.416 0.000 0.961 494 G HN 0.780 nan 8.290 nan 0.000 0.616 495 R N 0.489 120.509 120.500 -0.799 0.000 2.623 495 R HA 0.181 4.518 4.340 -0.005 0.000 0.271 495 R C 0.420 176.424 176.300 -0.493 0.000 1.043 495 R CA -0.307 55.181 56.100 -1.020 0.000 1.083 495 R CB 0.249 30.052 30.300 -0.828 0.000 0.974 495 R HN 0.538 nan 8.270 nan 0.000 0.436 496 E N 2.376 122.343 120.200 -0.388 0.000 2.534 496 E HA -0.094 4.253 4.350 -0.005 0.000 0.264 496 E C -0.444 176.017 176.600 -0.231 0.000 0.981 496 E CA 0.541 56.804 56.400 -0.229 0.000 0.948 496 E CB 0.278 29.882 29.700 -0.159 0.000 0.934 496 E HN 0.440 nan 8.360 nan 0.000 0.459 497 D N 0.606 120.898 120.400 -0.179 0.000 2.399 497 D HA 0.128 4.765 4.640 -0.005 0.000 0.241 497 D C 0.215 176.363 176.300 -0.253 0.000 1.133 497 D CA 0.303 54.179 54.000 -0.207 0.000 0.890 497 D CB 0.433 41.154 40.800 -0.130 0.000 1.201 497 D HN 0.486 nan 8.370 nan 0.000 0.432 498 A N 3.294 125.889 122.820 -0.375 0.000 1.991 498 A HA -0.158 4.158 4.320 -0.005 0.000 0.257 498 A C -1.267 176.183 177.584 -0.223 0.000 1.283 498 A CA -0.153 51.650 52.037 -0.391 0.000 0.762 498 A CB -0.959 17.613 19.000 -0.713 0.000 1.135 498 A HN 0.412 nan 8.150 nan 0.000 0.321 499 P HA -0.109 nan 4.420 nan 0.000 0.217 499 P C 1.079 178.331 177.300 -0.080 0.000 1.150 499 P CA 1.592 64.627 63.100 -0.108 0.000 0.832 499 P CB 0.136 31.783 31.700 -0.089 0.000 0.787 500 E N -0.811 119.337 120.200 -0.088 0.000 2.152 500 E HA -0.099 4.248 4.350 -0.005 0.000 0.192 500 E C 1.857 178.408 176.600 -0.082 0.000 0.983 500 E CA 0.517 56.874 56.400 -0.071 0.000 0.818 500 E CB -0.996 28.666 29.700 -0.064 0.000 0.758 500 E HN 0.123 nan 8.360 nan 0.000 0.467 501 L N 0.615 121.780 121.223 -0.097 0.000 2.072 501 L HA -0.017 4.320 4.340 -0.005 0.000 0.205 501 L C 2.167 178.988 176.870 -0.083 0.000 1.079 501 L CA 1.506 56.285 54.840 -0.101 0.000 0.752 501 L CB -0.296 41.720 42.059 -0.071 0.000 0.906 501 L HN -0.083 nan 8.230 nan 0.000 0.436 502 R N 0.696 121.166 120.500 -0.051 0.000 2.096 502 R HA -0.135 4.201 4.340 -0.005 0.000 0.240 502 R C 2.116 178.419 176.300 0.005 0.000 1.139 502 R CA 2.000 58.100 56.100 -0.001 0.000 0.952 502 R CB -1.298 29.002 30.300 -0.000 0.000 0.854 502 R HN 0.512 nan 8.270 nan 0.000 0.436 503 A N 0.367 123.176 122.820 -0.019 0.000 1.933 503 A HA -0.144 4.173 4.320 -0.005 0.000 0.218 503 A C 2.160 179.722 177.584 -0.036 0.000 1.175 503 A CA 1.744 53.773 52.037 -0.012 0.000 0.628 503 A CB -0.383 18.606 19.000 -0.018 0.000 0.814 503 A HN 0.405 nan 8.150 nan 0.000 0.444 504 K N -1.069 119.284 120.400 -0.079 0.000 2.057 504 K HA -0.024 4.293 4.320 -0.005 0.000 0.206 504 K C 2.094 178.589 176.600 -0.175 0.000 1.050 504 K CA 1.553 57.763 56.287 -0.130 0.000 0.935 504 K CB -0.247 32.149 32.500 -0.173 0.000 0.715 504 K HN 0.497 nan 8.250 nan 0.000 0.439 505 M N 0.906 120.405 119.600 -0.168 0.000 2.080 505 M HA -0.224 4.252 4.480 -0.005 0.000 0.260 505 M C 1.480 177.693 176.300 -0.144 0.000 1.068 505 M CA 1.556 56.748 55.300 -0.180 0.000 1.109 505 M CB -0.297 32.316 32.600 0.022 0.000 1.342 505 M HN 0.072 nan 8.290 nan 0.000 0.405 506 D N 0.097 120.531 120.400 0.055 0.000 2.116 506 D HA -0.204 4.433 4.640 -0.005 0.000 0.193 506 D C 1.846 178.202 176.300 0.093 0.000 0.998 506 D CA 1.453 55.548 54.000 0.158 0.000 0.836 506 D CB -0.431 40.448 40.800 0.131 0.000 0.951 506 D HN 0.302 nan 8.370 nan 0.000 0.449 507 E N 0.292 120.495 120.200 0.005 0.000 2.153 507 E HA -0.136 4.211 4.350 -0.005 0.000 0.194 507 E C 1.929 178.501 176.600 -0.046 0.000 0.988 507 E CA 0.325 56.720 56.400 -0.008 0.000 0.811 507 E CB -0.366 29.312 29.700 -0.035 0.000 0.746 507 E HN 0.192 nan 8.360 nan 0.000 0.466 508 L N -0.573 120.544 121.223 -0.177 0.000 2.017 508 L HA -0.084 4.253 4.340 -0.005 0.000 0.208 508 L C 1.962 178.748 176.870 -0.141 0.000 1.073 508 L CA 1.976 56.643 54.840 -0.288 0.000 0.745 508 L CB -0.793 40.921 42.059 -0.575 0.000 0.894 508 L HN 0.313 nan 8.230 nan 0.000 0.432 509 W N -0.148 121.228 121.300 0.128 0.000 2.388 509 W HA -0.156 4.502 4.660 -0.003 0.000 0.294 509 W C 2.585 179.242 176.519 0.230 0.000 1.212 509 W CA 0.865 58.346 57.345 0.226 0.000 1.271 509 W CB -0.564 29.087 29.460 0.318 0.000 1.126 509 W HN 0.357 nan 8.180 nan 0.000 0.535 510 N N 1.046 119.945 118.700 0.332 0.000 2.166 510 N HA -0.186 4.550 4.740 -0.005 0.000 0.186 510 N C 1.666 177.279 175.510 0.171 0.000 1.019 510 N CA 1.142 54.321 53.050 0.216 0.000 0.856 510 N CB -0.075 38.496 38.487 0.140 0.000 0.993 510 N HN 0.216 nan 8.380 nan 0.000 0.426 511 K N 0.501 120.979 120.400 0.130 0.000 2.044 511 K HA -0.004 4.313 4.320 -0.005 0.000 0.204 511 K C 2.207 178.879 176.600 0.120 0.000 1.049 511 K CA 0.630 56.970 56.287 0.088 0.000 0.945 511 K CB -0.076 32.442 32.500 0.030 0.000 0.724 511 K HN 0.188 nan 8.250 nan 0.000 0.440 512 L N 1.318 122.626 121.223 0.142 0.000 2.042 512 L HA -0.189 4.148 4.340 -0.005 0.000 0.210 512 L C 2.513 179.586 176.870 0.338 0.000 1.076 512 L CA 1.540 56.471 54.840 0.153 0.000 0.749 512 L CB -0.659 41.366 42.059 -0.056 0.000 0.893 512 L HN 0.256 nan 8.230 nan 0.000 0.432 513 S N -2.078 113.921 115.700 0.500 0.000 2.515 513 S HA -0.041 4.426 4.470 -0.005 0.000 0.231 513 S C 1.619 176.328 174.600 0.182 0.000 0.987 513 S CA 0.758 59.176 58.200 0.365 0.000 0.936 513 S CB -0.084 63.272 63.200 0.260 0.000 0.766 513 S HN 0.292 nan 8.310 nan 0.000 0.528 514 S N 2.265 118.059 115.700 0.156 0.000 2.577 514 S HA 0.218 4.685 4.470 -0.005 0.000 0.219 514 S C 0.507 175.158 174.600 0.084 0.000 0.962 514 S CA -0.006 58.253 58.200 0.098 0.000 0.921 514 S CB -0.119 63.130 63.200 0.081 0.000 0.789 514 S HN 0.736 nan 8.310 nan 0.000 0.497 515 K N 1.624 122.086 120.400 0.103 0.000 3.071 515 K HA -0.254 4.063 4.320 -0.005 0.000 0.262 515 K C -1.242 175.392 176.600 0.057 0.000 0.977 515 K CA 0.995 57.331 56.287 0.080 0.000 0.721 515 K CB -2.291 30.249 32.500 0.066 0.000 1.293 515 K HN 0.489 nan 8.250 nan 0.000 0.475 516 E N 0.593 120.827 120.200 0.057 0.000 2.222 516 E HA 0.198 4.545 4.350 -0.005 0.000 0.272 516 E C -0.629 175.988 176.600 0.028 0.000 0.982 516 E CA -0.908 55.516 56.400 0.038 0.000 0.842 516 E CB 0.784 30.506 29.700 0.037 0.000 1.144 516 E HN 0.249 nan 8.360 nan 0.000 0.397 517 D N 0.972 121.384 120.400 0.019 0.000 2.472 517 D HA 0.028 4.665 4.640 -0.005 0.000 0.248 517 D C -0.443 175.858 176.300 0.002 0.000 1.174 517 D CA 0.379 54.385 54.000 0.011 0.000 0.883 517 D CB 0.806 41.612 40.800 0.009 0.000 1.149 517 D HN 0.469 nan 8.370 nan 0.000 0.488 518 A N 2.885 125.701 122.820 -0.006 0.000 2.571 518 A HA 0.117 4.433 4.320 -0.005 0.000 0.274 518 A C 1.832 179.401 177.584 -0.025 0.000 1.196 518 A CA 0.420 52.442 52.037 -0.025 0.000 0.957 518 A CB -0.240 18.732 19.000 -0.048 0.000 1.150 518 A HN 0.521 nan 8.150 nan 0.000 0.539 519 S N 0.538 116.234 115.700 -0.006 0.000 2.374 519 S HA -0.166 4.301 4.470 -0.005 0.000 0.227 519 S C 2.007 176.610 174.600 0.005 0.000 1.037 519 S CA 1.582 59.787 58.200 0.009 0.000 1.024 519 S CB -0.555 62.655 63.200 0.016 0.000 0.861 519 S HN 0.993 nan 8.310 nan 0.000 0.456 520 A N 1.583 124.397 122.820 -0.010 0.000 1.898 520 A HA 0.137 4.454 4.320 -0.005 0.000 0.216 520 A C 2.255 179.816 177.584 -0.039 0.000 1.181 520 A CA 1.486 53.513 52.037 -0.018 0.000 0.620 520 A CB -0.830 18.157 19.000 -0.021 0.000 0.819 520 A HN 0.520 nan 8.150 nan 0.000 0.442 521 L N 0.102 121.289 121.223 -0.060 0.000 2.056 521 L HA -0.029 4.308 4.340 -0.005 0.000 0.207 521 L C 2.188 178.977 176.870 -0.135 0.000 1.078 521 L CA 1.433 56.211 54.840 -0.104 0.000 0.749 521 L CB -0.740 41.250 42.059 -0.115 0.000 0.901 521 L HN 0.435 nan 8.230 nan 0.000 0.433 522 I N -0.302 120.206 120.570 -0.102 0.000 2.151 522 I HA -0.336 3.831 4.170 -0.005 0.000 0.243 522 I C 2.500 178.593 176.117 -0.041 0.000 1.080 522 I CA 1.655 62.891 61.300 -0.108 0.000 1.339 522 I CB -0.261 37.727 38.000 -0.019 0.000 1.039 522 I HN 0.313 nan 8.210 nan 0.000 0.409 523 E N 1.066 121.302 120.200 0.061 0.000 2.077 523 E HA -0.285 4.062 4.350 -0.005 0.000 0.193 523 E C 1.995 178.615 176.600 0.035 0.000 0.989 523 E CA 1.671 58.151 56.400 0.134 0.000 0.800 523 E CB -0.160 29.579 29.700 0.065 0.000 0.746 523 E HN 0.464 nan 8.360 nan 0.000 0.452 524 E N -0.395 119.767 120.200 -0.064 0.000 2.110 524 E HA -0.164 4.183 4.350 -0.005 0.000 0.193 524 E C 2.054 178.514 176.600 -0.234 0.000 0.988 524 E CA 1.031 57.358 56.400 -0.121 0.000 0.804 524 E CB -0.125 29.498 29.700 -0.129 0.000 0.745 524 E HN 0.325 nan 8.360 nan 0.000 0.458 525 L N -0.225 120.784 121.223 -0.357 0.000 2.156 525 L HA -0.118 4.219 4.340 -0.005 0.000 0.208 525 L C 2.135 178.521 176.870 -0.807 0.000 1.095 525 L CA 0.724 55.124 54.840 -0.733 0.000 0.770 525 L CB -0.353 41.239 42.059 -0.777 0.000 0.914 525 L HN 0.243 nan 8.230 nan 0.000 0.439 526 Y N 0.174 120.286 120.300 -0.312 0.000 2.165 526 Y HA -0.259 4.288 4.550 -0.005 0.000 0.286 526 Y C 2.592 178.411 175.900 -0.135 0.000 1.155 526 Y CA 1.221 59.252 58.100 -0.116 0.000 1.164 526 Y CB -0.634 37.811 38.460 -0.025 0.000 0.978 526 Y HN 0.191 nan 8.280 nan 0.000 0.513 527 G N -0.259 108.539 108.800 -0.003 0.000 2.440 527 G HA2 -0.236 3.720 3.960 -0.005 0.000 0.218 527 G HA3 -0.236 3.720 3.960 -0.005 0.000 0.218 527 G C 1.488 176.335 174.900 -0.088 0.000 1.154 527 G CA 1.137 46.215 45.100 -0.037 0.000 0.767 527 G HN 0.313 nan 8.290 nan 0.000 0.552 528 E N 0.284 120.338 120.200 -0.243 0.000 2.072 528 E HA -0.067 4.280 4.350 -0.005 0.000 0.191 528 E C 2.300 178.854 176.600 -0.077 0.000 0.985 528 E CA 0.694 56.956 56.400 -0.230 0.000 0.801 528 E CB -0.312 29.147 29.700 -0.401 0.000 0.750 528 E HN 0.480 nan 8.360 nan 0.000 0.452 529 F N 1.119 121.057 119.950 -0.020 0.000 2.186 529 F HA -0.004 4.520 4.527 -0.006 0.000 0.299 529 F C 2.510 178.321 175.800 0.018 0.000 1.090 529 F CA 0.567 58.560 58.000 -0.012 0.000 1.307 529 F CB -1.327 37.665 39.000 -0.013 0.000 1.019 529 F HN -0.037 nan 8.300 nan 0.000 0.489 530 A N 0.221 123.160 122.820 0.198 0.000 1.902 530 A HA -0.228 4.089 4.320 -0.005 0.000 0.217 530 A C 2.299 179.932 177.584 0.081 0.000 1.181 530 A CA 1.985 54.096 52.037 0.124 0.000 0.623 530 A CB -0.712 18.343 19.000 0.092 0.000 0.818 530 A HN 0.260 nan 8.150 nan 0.000 0.443 531 R N -0.547 119.992 120.500 0.065 0.000 2.115 531 R HA 0.050 4.387 4.340 -0.005 0.000 0.230 531 R C 1.966 178.305 176.300 0.066 0.000 1.111 531 R CA 1.791 57.921 56.100 0.050 0.000 0.976 531 R CB -0.610 29.709 30.300 0.033 0.000 0.870 531 R HN 0.559 nan 8.270 nan 0.000 0.445 532 M N -0.074 119.579 119.600 0.088 0.000 2.080 532 M HA -0.170 4.307 4.480 -0.005 0.000 0.260 532 M C 2.241 178.572 176.300 0.052 0.000 1.068 532 M CA 2.274 57.618 55.300 0.073 0.000 1.109 532 M CB -0.354 32.276 32.600 0.049 0.000 1.342 532 M HN 0.265 nan 8.290 nan 0.000 0.405 533 E N 0.369 120.601 120.200 0.053 0.000 2.077 533 E HA -0.255 4.092 4.350 -0.005 0.000 0.193 533 E C 1.915 178.527 176.600 0.021 0.000 0.989 533 E CA 1.426 57.846 56.400 0.033 0.000 0.800 533 E CB -0.012 29.713 29.700 0.041 0.000 0.746 533 E HN 0.522 nan 8.360 nan 0.000 0.452 534 E N 0.148 120.364 120.200 0.027 0.000 2.038 534 E HA -0.246 4.101 4.350 -0.005 0.000 0.195 534 E C 2.006 178.609 176.600 0.005 0.000 1.000 534 E CA 1.195 57.604 56.400 0.014 0.000 0.803 534 E CB -0.236 29.475 29.700 0.018 0.000 0.750 534 E HN 0.307 nan 8.360 nan 0.000 0.448 535 A N 0.730 123.561 122.820 0.018 0.000 1.892 535 A HA -0.246 4.071 4.320 -0.005 0.000 0.218 535 A C 2.548 180.120 177.584 -0.021 0.000 1.188 535 A CA 1.738 53.784 52.037 0.014 0.000 0.631 535 A CB -1.119 17.914 19.000 0.055 0.000 0.822 535 A HN 0.573 nan 8.150 nan 0.000 0.447 536 C N -0.528 118.759 119.300 -0.021 0.000 2.446 536 C HA -0.070 4.387 4.460 -0.005 0.000 0.277 536 C C 2.692 177.623 174.990 -0.098 0.000 1.275 536 C CA 0.999 59.963 59.018 -0.090 0.000 1.727 536 C CB -1.495 26.215 27.740 -0.050 0.000 2.010 536 C HN 0.635 nan 8.230 nan 0.000 0.486 537 N N 1.384 120.052 118.700 -0.054 0.000 2.120 537 N HA -0.127 4.610 4.740 -0.005 0.000 0.188 537 N C 1.529 177.007 175.510 -0.053 0.000 1.024 537 N CA 1.355 54.375 53.050 -0.048 0.000 0.852 537 N CB -0.723 37.748 38.487 -0.027 0.000 1.003 537 N HN 0.536 nan 8.380 nan 0.000 0.424 538 N N 1.091 119.763 118.700 -0.046 0.000 2.120 538 N HA -0.026 4.711 4.740 -0.005 0.000 0.188 538 N C 1.820 177.294 175.510 -0.061 0.000 1.024 538 N CA 0.701 53.725 53.050 -0.043 0.000 0.852 538 N CB -0.264 38.206 38.487 -0.029 0.000 1.003 538 N HN 0.185 nan 8.380 nan 0.000 0.424 539 L N 0.295 121.462 121.223 -0.093 0.000 2.042 539 L HA -0.163 4.173 4.340 -0.005 0.000 0.210 539 L C 2.280 179.074 176.870 -0.125 0.000 1.076 539 L CA 1.282 56.043 54.840 -0.131 0.000 0.749 539 L CB -0.362 41.553 42.059 -0.240 0.000 0.893 539 L HN 0.166 nan 8.230 nan 0.000 0.432 540 K N 0.008 120.331 120.400 -0.128 0.000 2.063 540 K HA -0.166 4.151 4.320 -0.005 0.000 0.208 540 K C 2.159 178.717 176.600 -0.069 0.000 1.048 540 K CA 1.527 57.753 56.287 -0.102 0.000 0.928 540 K CB -0.286 32.160 32.500 -0.090 0.000 0.713 540 K HN 0.314 nan 8.250 nan 0.000 0.442 541 A N 1.008 123.793 122.820 -0.057 0.000 2.016 541 A HA -0.045 4.272 4.320 -0.005 0.000 0.217 541 A C 1.429 178.990 177.584 -0.037 0.000 1.162 541 A CA 1.136 53.148 52.037 -0.042 0.000 0.662 541 A CB 0.032 19.011 19.000 -0.034 0.000 0.812 541 A HN 0.228 nan 8.150 nan 0.000 0.450 542 N N -1.209 117.468 118.700 -0.039 0.000 2.145 542 N HA 0.210 4.946 4.740 -0.005 0.000 0.219 542 N C -0.218 175.279 175.510 -0.022 0.000 1.266 542 N CA -0.133 52.900 53.050 -0.028 0.000 0.902 542 N CB 0.420 38.894 38.487 -0.022 0.000 1.078 542 N HN 0.305 nan 8.380 nan 0.000 0.513 543 L N 3.611 124.817 121.223 -0.028 0.000 2.490 543 L HA 0.117 4.454 4.340 -0.005 0.000 0.274 543 L C -1.687 175.172 176.870 -0.018 0.000 1.201 543 L CA -1.011 53.825 54.840 -0.005 0.000 0.869 543 L CB 0.036 42.087 42.059 -0.015 0.000 1.123 543 L HN -0.110 nan 8.230 nan 0.000 0.484 544 P HA -0.064 nan 4.420 nan 0.000 0.267 544 P C 0.262 177.539 177.300 -0.038 0.000 1.200 544 P CA -0.110 62.966 63.100 -0.040 0.000 0.772 544 P CB 0.605 32.266 31.700 -0.065 0.000 0.855 545 E N 1.825 122.001 120.200 -0.040 0.000 2.085 545 E HA -0.180 4.167 4.350 -0.005 0.000 0.194 545 E C 1.558 178.135 176.600 -0.037 0.000 0.994 545 E CA 1.121 57.499 56.400 -0.036 0.000 0.801 545 E CB -0.232 29.448 29.700 -0.032 0.000 0.743 545 E HN 0.155 nan 8.360 nan 0.000 0.453 546 V N 0.289 120.175 119.914 -0.048 0.000 2.720 546 V HA -0.189 3.928 4.120 -0.005 0.000 0.256 546 V C 1.987 178.053 176.094 -0.048 0.000 1.082 546 V CA 2.033 64.300 62.300 -0.055 0.000 1.101 546 V CB -0.267 31.507 31.823 -0.081 0.000 0.693 546 V HN 0.488 nan 8.190 nan 0.000 0.479 547 A N -0.734 122.065 122.820 -0.035 0.000 1.924 547 A HA 0.079 4.396 4.320 -0.005 0.000 0.211 547 A C 1.958 179.538 177.584 -0.007 0.000 1.198 547 A CA 1.111 53.151 52.037 0.005 0.000 0.657 547 A CB -0.550 18.500 19.000 0.083 0.000 0.852 547 A HN 0.488 nan 8.150 nan 0.000 0.454 548 L N 1.427 122.634 121.223 -0.025 0.000 2.042 548 L HA -0.204 4.133 4.340 -0.005 0.000 0.210 548 L C 2.429 179.269 176.870 -0.050 0.000 1.076 548 L CA 2.791 57.600 54.840 -0.052 0.000 0.749 548 L CB -0.726 41.301 42.059 -0.053 0.000 0.893 548 L HN 0.687 nan 8.230 nan 0.000 0.432 549 E N -1.077 119.102 120.200 -0.034 0.000 2.265 549 E HA -0.252 4.095 4.350 -0.005 0.000 0.196 549 E C 1.530 178.112 176.600 -0.029 0.000 0.996 549 E CA 1.545 57.930 56.400 -0.025 0.000 0.832 549 E CB -0.413 29.280 29.700 -0.011 0.000 0.756 549 E HN 0.700 nan 8.360 nan 0.000 0.491 550 E N 0.054 120.226 120.200 -0.047 0.000 2.318 550 E HA -0.022 4.325 4.350 -0.005 0.000 0.193 550 E C 1.619 178.115 176.600 -0.173 0.000 0.998 550 E CA 0.968 57.292 56.400 -0.125 0.000 0.859 550 E CB 0.385 30.022 29.700 -0.105 0.000 0.812 550 E HN 0.573 nan 8.360 nan 0.000 0.492 551 C N -0.844 118.406 119.300 -0.084 0.000 3.386 551 C HA 0.329 4.785 4.460 -0.005 0.000 0.279 551 C C 2.434 177.387 174.990 -0.062 0.000 1.508 551 C CA -0.183 58.813 59.018 -0.037 0.000 1.801 551 C CB -0.660 27.104 27.740 0.039 0.000 2.798 551 C HN 0.213 nan 8.230 nan 0.000 0.605 552 S N 2.344 118.004 115.700 -0.067 0.000 2.383 552 S HA -0.193 4.273 4.470 -0.005 0.000 0.229 552 S C 1.920 176.500 174.600 -0.033 0.000 1.030 552 S CA 1.253 59.411 58.200 -0.071 0.000 1.002 552 S CB -0.547 62.620 63.200 -0.054 0.000 0.829 552 S HN 0.770 nan 8.310 nan 0.000 0.467 553 R N 0.943 121.448 120.500 0.008 0.000 2.092 553 R HA 0.041 4.378 4.340 -0.005 0.000 0.231 553 R C 2.590 178.924 176.300 0.057 0.000 1.119 553 R CA 1.465 57.591 56.100 0.044 0.000 0.970 553 R CB -0.324 30.035 30.300 0.099 0.000 0.864 553 R HN 0.423 nan 8.270 nan 0.000 0.440 554 Q N 0.177 120.028 119.800 0.085 0.000 2.172 554 Q HA -0.052 4.285 4.340 -0.005 0.000 0.200 554 Q C 1.810 177.965 176.000 0.260 0.000 0.964 554 Q CA 0.796 56.700 55.803 0.169 0.000 0.855 554 Q CB -0.048 28.837 28.738 0.246 0.000 0.918 554 Q HN 0.108 nan 8.270 nan 0.000 0.444 555 L N 0.731 122.000 121.223 0.076 0.000 1.994 555 L HA -0.193 4.144 4.340 -0.005 0.000 0.208 555 L C 1.360 178.228 176.870 -0.004 0.000 1.071 555 L CA 1.956 56.738 54.840 -0.096 0.000 0.745 555 L CB -1.010 40.873 42.059 -0.294 0.000 0.892 555 L HN 0.192 nan 8.230 nan 0.000 0.431 556 D N -1.111 119.284 120.400 -0.009 0.000 2.178 556 D HA -0.157 4.480 4.640 -0.005 0.000 0.201 556 D C 2.203 178.513 176.300 0.017 0.000 0.980 556 D CA 0.604 54.603 54.000 -0.001 0.000 0.842 556 D CB 0.128 40.926 40.800 -0.003 0.000 0.948 556 D HN 0.211 nan 8.370 nan 0.000 0.472 557 E N 0.022 120.244 120.200 0.037 0.000 2.051 557 E HA -0.131 4.216 4.350 -0.005 0.000 0.192 557 E C 2.062 178.676 176.600 0.023 0.000 0.991 557 E CA 0.403 56.821 56.400 0.029 0.000 0.799 557 E CB -0.340 29.381 29.700 0.035 0.000 0.748 557 E HN 0.238 nan 8.360 nan 0.000 0.449 558 L N 0.799 122.056 121.223 0.056 0.000 2.093 558 L HA -0.085 4.252 4.340 -0.005 0.000 0.208 558 L C 2.230 179.092 176.870 -0.013 0.000 1.085 558 L CA 1.051 55.900 54.840 0.015 0.000 0.755 558 L CB -0.303 41.807 42.059 0.084 0.000 0.904 558 L HN 0.089 nan 8.230 nan 0.000 0.435 559 I N -1.413 119.161 120.570 0.007 0.000 2.142 559 I HA -0.329 3.837 4.170 -0.005 0.000 0.240 559 I C 2.256 178.366 176.117 -0.011 0.000 1.078 559 I CA 1.719 63.017 61.300 -0.003 0.000 1.343 559 I CB -0.718 37.279 38.000 -0.005 0.000 1.046 559 I HN 0.212 nan 8.210 nan 0.000 0.405 560 T N 1.468 116.017 114.554 -0.009 0.000 2.653 560 T HA -0.213 4.134 4.350 -0.005 0.000 0.268 560 T C 1.916 176.599 174.700 -0.027 0.000 1.035 560 T CA 1.566 63.659 62.100 -0.013 0.000 1.154 560 T CB -0.420 68.445 68.868 -0.006 0.000 0.862 560 T HN 0.237 nan 8.240 nan 0.000 0.441 561 L N 0.460 121.661 121.223 -0.037 0.000 2.093 561 L HA -0.051 4.286 4.340 -0.005 0.000 0.208 561 L C 2.995 179.795 176.870 -0.117 0.000 1.085 561 L CA 1.025 55.828 54.840 -0.062 0.000 0.755 561 L CB -0.624 41.401 42.059 -0.057 0.000 0.904 561 L HN 0.246 nan 8.230 nan 0.000 0.435 562 A N -0.317 122.442 122.820 -0.101 0.000 1.902 562 A HA -0.254 4.062 4.320 -0.005 0.000 0.217 562 A C 2.226 179.757 177.584 -0.088 0.000 1.181 562 A CA 1.561 53.536 52.037 -0.104 0.000 0.623 562 A CB -0.445 18.555 19.000 -0.001 0.000 0.818 562 A HN 0.468 nan 8.150 nan 0.000 0.443 563 Q N -0.828 118.951 119.800 -0.036 0.000 2.084 563 Q HA -0.117 4.220 4.340 -0.005 0.000 0.202 563 Q C 2.204 178.188 176.000 -0.027 0.000 0.978 563 Q CA 1.265 57.064 55.803 -0.008 0.000 0.844 563 Q CB -0.457 28.282 28.738 0.002 0.000 0.898 563 Q HN 0.686 nan 8.270 nan 0.000 0.426 564 G N 0.977 109.744 108.800 -0.055 0.000 2.408 564 G HA2 -0.247 3.710 3.960 -0.005 0.000 0.217 564 G HA3 -0.247 3.710 3.960 -0.005 0.000 0.217 564 G C 0.889 175.736 174.900 -0.088 0.000 1.150 564 G CA 0.945 46.013 45.100 -0.053 0.000 0.776 564 G HN 0.223 nan 8.290 nan 0.000 0.542 565 D N 0.324 120.581 120.400 -0.238 0.000 2.117 565 D HA -0.078 4.559 4.640 -0.005 0.000 0.197 565 D C 2.301 178.406 176.300 -0.325 0.000 0.987 565 D CA 0.766 54.462 54.000 -0.505 0.000 0.829 565 D CB -0.091 39.790 40.800 -1.532 0.000 0.961 565 D HN 0.213 nan 8.370 nan 0.000 0.460 566 K N 1.290 121.609 120.400 -0.135 0.000 2.001 566 K HA -0.057 4.259 4.320 -0.005 0.000 0.208 566 K C 1.994 178.705 176.600 0.184 0.000 1.048 566 K CA 1.257 57.654 56.287 0.185 0.000 0.932 566 K CB -0.323 32.328 32.500 0.252 0.000 0.715 566 K HN 0.003 nan 8.250 nan 0.000 0.437 567 A N 0.942 123.824 122.820 0.103 0.000 1.986 567 A HA -0.160 4.157 4.320 -0.005 0.000 0.220 567 A C 2.306 179.938 177.584 0.080 0.000 1.171 567 A CA 2.275 54.364 52.037 0.087 0.000 0.640 567 A CB -0.618 18.403 19.000 0.036 0.000 0.811 567 A HN 0.446 nan 8.150 nan 0.000 0.451 568 S N -0.271 115.467 115.700 0.064 0.000 2.368 568 S HA -0.081 4.386 4.470 -0.005 0.000 0.225 568 S C 1.815 176.481 174.600 0.111 0.000 1.030 568 S CA 1.397 59.634 58.200 0.062 0.000 0.999 568 S CB -0.430 62.780 63.200 0.018 0.000 0.844 568 S HN 0.543 nan 8.310 nan 0.000 0.459 569 L N 1.364 122.670 121.223 0.138 0.000 2.017 569 L HA -0.169 4.168 4.340 -0.005 0.000 0.208 569 L C 2.188 179.139 176.870 0.136 0.000 1.073 569 L CA 1.205 56.067 54.840 0.037 0.000 0.745 569 L CB -0.785 41.032 42.059 -0.402 0.000 0.894 569 L HN 0.198 nan 8.230 nan 0.000 0.432 570 D N -0.247 120.292 120.400 0.232 0.000 2.104 570 D HA -0.263 4.374 4.640 -0.005 0.000 0.194 570 D C 2.132 178.538 176.300 0.176 0.000 0.994 570 D CA 1.364 55.511 54.000 0.245 0.000 0.830 570 D CB -0.173 40.749 40.800 0.203 0.000 0.959 570 D HN 0.256 nan 8.370 nan 0.000 0.452 571 M N 0.059 119.749 119.600 0.149 0.000 2.108 571 M HA -0.183 4.294 4.480 -0.005 0.000 0.261 571 M C 1.657 178.095 176.300 0.230 0.000 1.066 571 M CA 1.274 56.684 55.300 0.183 0.000 1.107 571 M CB 0.092 32.764 32.600 0.120 0.000 1.356 571 M HN -0.061 nan 8.290 nan 0.000 0.406 572 I N -0.166 120.497 120.570 0.154 0.000 2.179 572 I HA -0.220 3.947 4.170 -0.005 0.000 0.242 572 I C 2.433 178.605 176.117 0.091 0.000 1.088 572 I CA 1.163 62.525 61.300 0.103 0.000 1.357 572 I CB -1.542 36.493 38.000 0.058 0.000 1.051 572 I HN 0.180 nan 8.210 nan 0.000 0.409 573 V N 1.413 121.396 119.914 0.114 0.000 2.407 573 V HA -0.244 3.873 4.120 -0.005 0.000 0.248 573 V C 2.806 178.960 176.094 0.100 0.000 1.055 573 V CA 1.660 64.026 62.300 0.110 0.000 1.049 573 V CB -1.144 30.774 31.823 0.159 0.000 0.662 573 V HN 0.459 nan 8.190 nan 0.000 0.455 574 A N -0.960 121.938 122.820 0.129 0.000 1.933 574 A HA -0.284 4.033 4.320 -0.005 0.000 0.218 574 A C 2.185 179.818 177.584 0.082 0.000 1.175 574 A CA 1.923 54.037 52.037 0.129 0.000 0.628 574 A CB -0.412 18.708 19.000 0.200 0.000 0.814 574 A HN 0.608 nan 8.150 nan 0.000 0.444 575 Q N -0.605 119.228 119.800 0.054 0.000 2.123 575 Q HA 0.034 4.371 4.340 -0.005 0.000 0.199 575 Q C 2.026 178.011 176.000 -0.024 0.000 0.966 575 Q CA 0.993 56.759 55.803 -0.061 0.000 0.845 575 Q CB -0.228 28.448 28.738 -0.103 0.000 0.907 575 Q HN 0.686 nan 8.270 nan 0.000 0.439 576 L N 0.733 121.963 121.223 0.012 0.000 2.046 576 L HA -0.201 4.136 4.340 -0.005 0.000 0.208 576 L C 1.463 178.343 176.870 0.018 0.000 1.077 576 L CA 0.822 55.672 54.840 0.017 0.000 0.747 576 L CB -0.380 41.695 42.059 0.026 0.000 0.896 576 L HN 0.258 nan 8.230 nan 0.000 0.432 577 N N 0.160 118.876 118.700 0.027 0.000 2.461 577 N HA -0.066 4.671 4.740 -0.005 0.000 0.188 577 N C 0.033 175.554 175.510 0.019 0.000 1.134 577 N CA 0.248 53.314 53.050 0.027 0.000 0.878 577 N CB 0.057 38.566 38.487 0.037 0.000 0.972 577 N HN 0.252 nan 8.380 nan 0.000 0.456 578 E N 0.359 120.563 120.200 0.006 0.000 2.476 578 E HA -0.202 4.145 4.350 -0.005 0.000 0.251 578 E C -0.919 175.688 176.600 0.013 0.000 1.130 578 E CA 0.355 56.752 56.400 -0.006 0.000 0.736 578 E CB -0.913 28.784 29.700 -0.004 0.000 1.298 578 E HN 0.251 nan 8.360 nan 0.000 0.400 579 D N -0.229 120.192 120.400 0.035 0.000 2.467 579 D HA 0.147 4.784 4.640 -0.005 0.000 0.220 579 D C 0.767 177.127 176.300 0.100 0.000 1.103 579 D CA -0.085 53.951 54.000 0.059 0.000 0.886 579 D CB 0.908 41.746 40.800 0.064 0.000 1.025 579 D HN -0.033 nan 8.370 nan 0.000 0.514 580 T N 2.386 116.995 114.554 0.092 0.000 2.904 580 T HA -0.132 4.214 4.350 -0.005 0.000 0.267 580 T C 1.523 176.329 174.700 0.177 0.000 1.059 580 T CA 0.894 63.083 62.100 0.148 0.000 1.137 580 T CB 0.237 69.163 68.868 0.097 0.000 0.879 580 T HN 0.344 nan 8.240 nan 0.000 0.467 581 E N 1.528 121.792 120.200 0.107 0.000 2.047 581 E HA 0.051 4.398 4.350 -0.005 0.000 0.191 581 E C 2.258 178.900 176.600 0.071 0.000 0.987 581 E CA 1.166 57.611 56.400 0.074 0.000 0.799 581 E CB -0.452 29.278 29.700 0.049 0.000 0.752 581 E HN 0.411 nan 8.360 nan 0.000 0.449 582 A N -0.392 122.481 122.820 0.088 0.000 1.969 582 A HA -0.164 4.152 4.320 -0.005 0.000 0.218 582 A C 2.142 179.788 177.584 0.104 0.000 1.169 582 A CA 1.514 53.600 52.037 0.082 0.000 0.635 582 A CB -0.872 18.180 19.000 0.086 0.000 0.810 582 A HN 0.530 nan 8.150 nan 0.000 0.445 583 Y N 0.861 121.180 120.300 0.030 0.000 2.133 583 Y HA -0.153 4.394 4.550 -0.005 0.000 0.287 583 Y C 2.230 178.145 175.900 0.025 0.000 1.134 583 Y CA 2.029 60.147 58.100 0.031 0.000 1.133 583 Y CB -0.229 38.248 38.460 0.029 0.000 0.987 583 Y HN 0.306 nan 8.280 nan 0.000 0.502 584 E N -0.126 119.940 120.200 -0.224 0.000 2.077 584 E HA -0.212 4.135 4.350 -0.005 0.000 0.193 584 E C 2.454 178.927 176.600 -0.212 0.000 0.989 584 E CA 1.331 57.548 56.400 -0.305 0.000 0.800 584 E CB -0.696 28.963 29.700 -0.067 0.000 0.746 584 E HN 0.478 nan 8.360 nan 0.000 0.452 585 S N 0.557 116.194 115.700 -0.105 0.000 2.355 585 S HA -0.107 4.359 4.470 -0.005 0.000 0.222 585 S C 2.122 176.681 174.600 -0.069 0.000 1.031 585 S CA 1.390 59.552 58.200 -0.064 0.000 0.993 585 S CB -0.097 63.091 63.200 -0.019 0.000 0.859 585 S HN 0.286 nan 8.310 nan 0.000 0.453 586 A N 1.422 124.204 122.820 -0.062 0.000 1.933 586 A HA -0.082 4.235 4.320 -0.005 0.000 0.218 586 A C 2.151 179.682 177.584 -0.088 0.000 1.175 586 A CA 1.874 53.889 52.037 -0.038 0.000 0.628 586 A CB -0.735 18.277 19.000 0.020 0.000 0.814 586 A HN 0.664 nan 8.150 nan 0.000 0.444 587 K N 0.195 120.470 120.400 -0.208 0.000 2.032 587 K HA -0.261 4.055 4.320 -0.005 0.000 0.209 587 K C 2.041 178.551 176.600 -0.150 0.000 1.048 587 K CA 1.986 58.127 56.287 -0.243 0.000 0.927 587 K CB -0.194 31.994 32.500 -0.520 0.000 0.712 587 K HN 0.593 nan 8.250 nan 0.000 0.441 588 E N 0.950 121.068 120.200 -0.136 0.000 2.118 588 E HA -0.205 4.142 4.350 -0.005 0.000 0.195 588 E C 1.781 178.348 176.600 -0.056 0.000 0.992 588 E CA 1.780 58.130 56.400 -0.083 0.000 0.804 588 E CB -0.449 29.211 29.700 -0.067 0.000 0.741 588 E HN 0.482 nan 8.360 nan 0.000 0.458 589 I N 0.945 121.486 120.570 -0.049 0.000 2.163 589 I HA -0.191 3.976 4.170 -0.005 0.000 0.240 589 I C 2.610 178.711 176.117 -0.026 0.000 1.081 589 I CA 1.124 62.407 61.300 -0.028 0.000 1.353 589 I CB -0.516 37.475 38.000 -0.014 0.000 1.054 589 I HN 0.314 nan 8.210 nan 0.000 0.407 590 A N 0.141 122.942 122.820 -0.032 0.000 1.902 590 A HA -0.297 4.019 4.320 -0.005 0.000 0.217 590 A C 2.248 179.813 177.584 -0.031 0.000 1.181 590 A CA 2.018 54.038 52.037 -0.028 0.000 0.623 590 A CB -0.681 18.302 19.000 -0.028 0.000 0.818 590 A HN 0.416 nan 8.150 nan 0.000 0.443 591 Q N 0.420 120.195 119.800 -0.040 0.000 2.084 591 Q HA -0.154 4.183 4.340 -0.005 0.000 0.202 591 Q C 1.958 177.943 176.000 -0.025 0.000 0.978 591 Q CA 2.086 57.869 55.803 -0.035 0.000 0.844 591 Q CB -0.466 28.247 28.738 -0.042 0.000 0.898 591 Q HN 0.732 nan 8.270 nan 0.000 0.426 592 N N -0.773 117.912 118.700 -0.025 0.000 2.142 592 N HA -0.132 4.604 4.740 -0.005 0.000 0.186 592 N C 1.351 176.853 175.510 -0.014 0.000 1.023 592 N CA 1.012 54.051 53.050 -0.018 0.000 0.852 592 N CB 0.136 38.612 38.487 -0.017 0.000 0.998 592 N HN 0.158 nan 8.380 nan 0.000 0.424 593 K N 1.195 121.586 120.400 -0.015 0.000 2.057 593 K HA -0.119 4.198 4.320 -0.005 0.000 0.206 593 K C 2.021 178.614 176.600 -0.012 0.000 1.050 593 K CA 0.396 56.675 56.287 -0.014 0.000 0.935 593 K CB -0.713 31.777 32.500 -0.018 0.000 0.715 593 K HN 0.156 nan 8.250 nan 0.000 0.439 594 L N 2.411 123.626 121.223 -0.013 0.000 1.989 594 L HA -0.191 4.146 4.340 -0.005 0.000 0.211 594 L C 1.579 178.446 176.870 -0.005 0.000 1.071 594 L CA 1.873 56.707 54.840 -0.009 0.000 0.749 594 L CB -0.844 41.208 42.059 -0.012 0.000 0.890 594 L HN 0.122 nan 8.230 nan 0.000 0.431 595 N N -0.949 117.747 118.700 -0.007 0.000 2.166 595 N HA -0.139 4.598 4.740 -0.005 0.000 0.186 595 N C 1.728 177.237 175.510 -0.000 0.000 1.019 595 N CA 1.751 54.799 53.050 -0.004 0.000 0.856 595 N CB -0.750 37.733 38.487 -0.006 0.000 0.993 595 N HN 0.420 nan 8.380 nan 0.000 0.426 596 T N 1.191 115.744 114.554 -0.002 0.000 2.635 596 T HA -0.158 4.189 4.350 -0.005 0.000 0.267 596 T C 1.970 176.672 174.700 0.003 0.000 1.040 596 T CA 1.783 63.884 62.100 0.001 0.000 1.156 596 T CB -0.518 68.350 68.868 -0.000 0.000 0.863 596 T HN 0.368 nan 8.240 nan 0.000 0.430 597 A N 1.088 123.908 122.820 -0.000 0.000 1.908 597 A HA -0.025 4.292 4.320 -0.005 0.000 0.218 597 A C 2.341 179.924 177.584 -0.001 0.000 1.181 597 A CA 1.352 53.388 52.037 -0.001 0.000 0.627 597 A CB -0.936 18.062 19.000 -0.002 0.000 0.818 597 A HN 0.497 nan 8.150 nan 0.000 0.445 598 L N -0.362 120.862 121.223 0.002 0.000 2.131 598 L HA -0.148 4.189 4.340 -0.005 0.000 0.210 598 L C 2.530 179.403 176.870 0.006 0.000 1.092 598 L CA 1.455 56.298 54.840 0.005 0.000 0.759 598 L CB -0.234 41.830 42.059 0.007 0.000 0.903 598 L HN 0.335 nan 8.230 nan 0.000 0.435 599 S N -1.574 114.132 115.700 0.009 0.000 2.478 599 S HA -0.015 4.452 4.470 -0.005 0.000 0.222 599 S C 1.042 175.658 174.600 0.027 0.000 1.008 599 S CA 0.002 58.212 58.200 0.017 0.000 0.928 599 S CB 0.129 63.338 63.200 0.016 0.000 0.781 599 S HN 0.332 nan 8.310 nan 0.000 0.518 600 S N 0.594 116.307 115.700 0.022 0.000 2.585 600 S HA 0.231 4.698 4.470 -0.005 0.000 0.273 600 S C 0.762 175.390 174.600 0.046 0.000 1.339 600 S CA -0.616 57.610 58.200 0.043 0.000 1.028 600 S CB 0.217 63.433 63.200 0.025 0.000 0.906 600 S HN 0.363 nan 8.310 nan 0.000 0.528 601 F N 3.923 123.845 119.950 -0.047 0.000 2.206 601 F HA 0.275 4.799 4.527 -0.005 0.000 0.298 601 F C 1.079 176.815 175.800 -0.106 0.000 1.090 601 F CA 0.825 58.780 58.000 -0.075 0.000 1.323 601 F CB -0.579 38.384 39.000 -0.063 0.000 1.028 601 F HN 0.630 nan 8.300 nan 0.000 0.492 602 A N 1.271 123.995 122.820 -0.160 0.000 2.425 602 A HA 0.506 4.823 4.320 -0.005 0.000 0.249 602 A C -0.641 176.798 177.584 -0.241 0.000 1.084 602 A CA -0.219 51.679 52.037 -0.232 0.000 0.781 602 A CB 0.283 19.279 19.000 -0.007 0.000 1.019 602 A HN 0.114 nan 8.150 nan 0.000 0.490 603 V N 3.353 123.107 119.914 -0.267 0.000 2.638 603 V HA 0.677 4.794 4.120 -0.005 0.000 0.306 603 V C -0.322 175.732 176.094 -0.067 0.000 1.052 603 V CA -0.332 61.875 62.300 -0.156 0.000 0.885 603 V CB 1.537 33.248 31.823 -0.186 0.000 0.999 603 V HN 0.874 nan 8.190 nan 0.000 0.424 604 I N 2.603 123.164 120.570 -0.015 0.000 2.842 604 I HA 0.459 4.626 4.170 -0.005 0.000 0.297 604 I C 0.419 176.555 176.117 0.032 0.000 1.380 604 I CA -0.045 61.252 61.300 -0.005 0.000 1.018 604 I CB 2.284 40.271 38.000 -0.022 0.000 1.311 604 I HN 0.731 nan 8.210 nan 0.000 0.439 605 S N 2.830 118.562 115.700 0.053 0.000 3.581 605 S HA -0.188 4.279 4.470 -0.005 0.000 0.354 605 S C 1.056 175.706 174.600 0.083 0.000 1.059 605 S CA 1.510 59.777 58.200 0.111 0.000 1.060 605 S CB -0.879 62.471 63.200 0.250 0.000 0.908 605 S HN 0.855 nan 8.310 nan 0.000 0.475 606 E N 1.095 121.328 120.200 0.054 0.000 2.065 606 E HA -0.172 4.175 4.350 -0.005 0.000 0.201 606 E C 1.948 178.581 176.600 0.054 0.000 1.016 606 E CA 1.711 58.141 56.400 0.049 0.000 0.818 606 E CB -0.031 29.689 29.700 0.034 0.000 0.749 606 E HN 0.466 nan 8.360 nan 0.000 0.453 607 K N 0.009 120.435 120.400 0.043 0.000 2.444 607 K HA 0.092 4.409 4.320 -0.005 0.000 0.193 607 K C 1.268 177.921 176.600 0.089 0.000 1.024 607 K CA 0.308 56.625 56.287 0.051 0.000 1.077 607 K CB 0.682 33.192 32.500 0.018 0.000 0.833 607 K HN 0.077 nan 8.250 nan 0.000 0.517 608 V N -0.274 119.703 119.914 0.106 0.000 3.949 608 V HA 0.143 4.260 4.120 -0.005 0.000 0.195 608 V C 1.991 178.203 176.094 0.198 0.000 1.114 608 V CA 0.799 63.185 62.300 0.143 0.000 1.384 608 V CB -0.807 31.069 31.823 0.088 0.000 1.685 608 V HN 0.072 nan 8.190 nan 0.000 0.492 609 A N -0.420 122.521 122.820 0.200 0.000 1.940 609 A HA -0.301 4.016 4.320 -0.005 0.000 0.219 609 A C 2.149 179.798 177.584 0.109 0.000 1.176 609 A CA 2.650 54.763 52.037 0.126 0.000 0.631 609 A CB -0.618 18.403 19.000 0.036 0.000 0.814 609 A HN 0.681 nan 8.150 nan 0.000 0.446 610 Q N -0.966 118.895 119.800 0.102 0.000 2.062 610 Q HA -0.102 4.235 4.340 -0.005 0.000 0.196 610 Q C 2.310 178.371 176.000 0.102 0.000 0.967 610 Q CA 1.532 57.381 55.803 0.076 0.000 0.832 610 Q CB -0.250 28.521 28.738 0.054 0.000 0.899 610 Q HN 0.564 nan 8.270 nan 0.000 0.442 611 S N -0.279 115.495 115.700 0.124 0.000 2.400 611 S HA -0.176 4.291 4.470 -0.005 0.000 0.232 611 S C 1.583 176.298 174.600 0.192 0.000 1.025 611 S CA 1.126 59.402 58.200 0.127 0.000 0.993 611 S CB -0.493 62.784 63.200 0.129 0.000 0.808 611 S HN 0.549 nan 8.310 nan 0.000 0.478 612 F N 1.949 121.972 119.950 0.121 0.000 2.171 612 F HA -0.008 4.517 4.527 -0.004 0.000 0.300 612 F C 1.689 177.598 175.800 0.181 0.000 1.090 612 F CA 1.404 59.534 58.000 0.217 0.000 1.293 612 F CB -0.322 38.784 39.000 0.176 0.000 1.013 612 F HN 0.242 nan 8.300 nan 0.000 0.486 613 I N 0.110 120.730 120.570 0.084 0.000 2.252 613 I HA -0.312 3.855 4.170 -0.005 0.000 0.245 613 I C 2.321 178.393 176.117 -0.075 0.000 1.102 613 I CA 1.365 62.642 61.300 -0.038 0.000 1.385 613 I CB -0.788 37.212 38.000 0.000 0.000 1.064 613 I HN 0.198 nan 8.210 nan 0.000 0.414 614 Q N 0.816 120.594 119.800 -0.036 0.000 2.135 614 Q HA -0.249 4.088 4.340 -0.005 0.000 0.204 614 Q C 2.051 177.979 176.000 -0.119 0.000 0.981 614 Q CA 1.615 57.384 55.803 -0.057 0.000 0.856 614 Q CB -0.256 28.466 28.738 -0.027 0.000 0.902 614 Q HN 0.586 nan 8.270 nan 0.000 0.425 615 E N 0.885 120.991 120.200 -0.157 0.000 2.072 615 E HA -0.153 4.194 4.350 -0.005 0.000 0.191 615 E C 2.046 178.336 176.600 -0.515 0.000 0.985 615 E CA 0.961 57.155 56.400 -0.344 0.000 0.801 615 E CB -0.148 29.363 29.700 -0.315 0.000 0.750 615 E HN 0.371 nan 8.360 nan 0.000 0.452 616 A N 1.088 123.665 122.820 -0.405 0.000 1.902 616 A HA -0.155 4.162 4.320 -0.005 0.000 0.217 616 A C 2.177 179.695 177.584 -0.109 0.000 1.181 616 A CA 1.087 52.972 52.037 -0.252 0.000 0.623 616 A CB -0.647 18.255 19.000 -0.164 0.000 0.818 616 A HN 0.144 nan 8.150 nan 0.000 0.443 617 L N -0.169 120.997 121.223 -0.095 0.000 2.201 617 L HA -0.109 4.228 4.340 -0.005 0.000 0.212 617 L C 2.109 178.963 176.870 -0.027 0.000 1.105 617 L CA 1.302 56.123 54.840 -0.032 0.000 0.775 617 L CB -0.123 41.911 42.059 -0.041 0.000 0.913 617 L HN 0.309 nan 8.230 nan 0.000 0.440 618 S N -1.341 114.306 115.700 -0.088 0.000 2.575 618 S HA 0.086 4.553 4.470 -0.005 0.000 0.215 618 S C 0.441 174.972 174.600 -0.115 0.000 0.966 618 S CA -0.318 57.821 58.200 -0.102 0.000 0.911 618 S CB -0.061 63.052 63.200 -0.145 0.000 0.780 618 S HN 0.177 nan 8.310 nan 0.000 0.514 619 F N 3.634 123.433 119.950 -0.252 0.000 2.423 619 F HA 0.194 4.719 4.527 -0.003 0.000 0.356 619 F C 0.176 175.910 175.800 -0.109 0.000 1.170 619 F CA -0.912 56.945 58.000 -0.240 0.000 1.163 619 F CB 0.265 39.038 39.000 -0.379 0.000 1.318 619 F HN -0.068 nan 8.300 nan 0.000 0.569 620 D N 6.392 126.825 120.400 0.054 0.000 2.383 620 D HA 0.060 4.697 4.640 -0.005 0.000 0.245 620 D C 0.339 176.702 176.300 0.104 0.000 1.263 620 D CA 0.077 54.107 54.000 0.050 0.000 0.936 620 D CB 0.644 41.429 40.800 -0.025 0.000 1.053 620 D HN 0.395 nan 8.370 nan 0.000 0.507 621 L N 3.660 124.947 121.223 0.108 0.000 2.685 621 L HA 0.067 4.404 4.340 -0.005 0.000 0.233 621 L C 1.988 178.824 176.870 -0.057 0.000 1.173 621 L CA 0.399 55.279 54.840 0.066 0.000 0.961 621 L CB -0.753 41.352 42.059 0.077 0.000 1.217 621 L HN 0.422 nan 8.230 nan 0.000 0.478 622 T N -4.092 110.399 114.554 -0.106 0.000 3.086 622 T HA 0.111 4.458 4.350 -0.005 0.000 0.250 622 T C 0.779 175.438 174.700 -0.068 0.000 1.074 622 T CA -0.352 61.664 62.100 -0.140 0.000 0.988 622 T CB 0.018 68.753 68.868 -0.221 0.000 0.988 622 T HN -0.105 nan 8.240 nan 0.000 0.530 623 L N 2.958 124.158 121.223 -0.038 0.000 2.638 623 L HA 0.327 4.664 4.340 -0.005 0.000 0.273 623 L C 0.752 177.612 176.870 -0.016 0.000 1.147 623 L CA -0.231 54.595 54.840 -0.023 0.000 0.941 623 L CB -1.719 40.331 42.059 -0.015 0.000 1.251 623 L HN 0.401 nan 8.230 nan 0.000 0.479 624 I N 0.000 120.560 120.570 -0.017 0.000 2.984 624 I HA 0.000 4.167 4.170 -0.005 0.000 0.288 624 I CA 0.000 61.292 61.300 -0.013 0.000 1.566 624 I CB 0.000 37.996 38.000 -0.006 0.000 1.214 624 I HN 0.000 nan 8.210 nan 0.000 0.494