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 3dhd_1_B DATA FIRST_RESID 9 DATA SEQUENCE FNILLATDSY KVTHYKQYPP NTSKVYSYFE CREXXXXXXX XXXXXYEETV DATA SEQUENCE FYGLQYILNK YLKGKVVTKE KIQEAKDVYK EHFQDDVFNE KGWNYILEKY DATA SEQUENCE DGHLPIEIKA VPEGFVIPRG NVLFTVENTD PECYWLTNWI ETILVQSWYP DATA SEQUENCE ITVATNSREQ KKILAKYLLE TSGNLDGLEY KLHDFGYRGV SSQETAGIGA DATA SEQUENCE SAHLVNFKGT DTVAGLALIK KYYGTKDPVP GYSVPAAEHS TITAWGKDHE DATA SEQUENCE KDAFEHIVTQ FSSVPVSVVS DSYDIYNACE KIWGEDLRHL IVSRSTQAPL DATA SEQUENCE IIRPDSGNPL DTVLKVLEIL GKKFPVTENS KGYKLLPPYL RVIQGDGVDI DATA SEQUENCE NTLQEIVEGM KQKMWSIENI AFGSGGGLLQ KLTRDLLNCS FKCSYVVTNG DATA SEQUENCE LGINVFKDPV ADPNKRSKKG RLSLHRTPAG NFVTLEEGKG DLEEYGQDLL DATA SEQUENCE HTVFKNGKVT KSYSFDEIRK NAQLNI 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 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.804 175.800 0.007 0.000 0.967 9 F CA 0.000 58.023 58.000 0.038 0.000 1.383 9 F CB 0.000 39.080 39.000 0.133 0.000 1.145 10 N N 6.575 124.821 118.700 -0.756 0.000 2.540 10 N HA 0.288 5.025 4.740 -0.004 0.000 0.275 10 N C 0.313 175.364 175.510 -0.765 0.000 1.053 10 N CA -0.453 52.277 53.050 -0.534 0.000 0.876 10 N CB 1.441 39.710 38.487 -0.362 0.000 1.284 10 N HN 0.907 nan 8.380 nan 0.000 0.518 11 I N 2.659 122.982 120.570 -0.413 0.000 2.700 11 I HA -0.180 3.987 4.170 -0.004 0.000 0.261 11 I C 0.682 176.827 176.117 0.048 0.000 1.219 11 I CA 0.867 62.107 61.300 -0.099 0.000 1.463 11 I CB 0.360 38.496 38.000 0.227 0.000 1.092 11 I HN 0.479 nan 8.210 nan 0.000 0.452 12 L N -0.025 121.075 121.223 -0.205 0.000 2.478 12 L HA -0.023 4.314 4.340 -0.004 0.000 0.223 12 L C 1.590 178.611 176.870 0.252 0.000 1.140 12 L CA 1.202 55.989 54.840 -0.089 0.000 0.842 12 L CB -0.268 41.467 42.059 -0.539 0.000 0.953 12 L HN 0.206 nan 8.230 nan 0.000 0.452 13 L N -1.081 120.115 121.223 -0.044 0.000 2.857 13 L HA 0.346 4.683 4.340 -0.004 0.000 0.249 13 L C 0.960 177.759 176.870 -0.118 0.000 1.172 13 L CA -0.114 54.666 54.840 -0.100 0.000 0.980 13 L CB 0.139 42.013 42.059 -0.309 0.000 1.299 13 L HN 0.094 nan 8.230 nan 0.000 0.535 14 A N -0.278 122.500 122.820 -0.070 0.000 3.106 14 A HA 0.516 4.834 4.320 -0.004 0.000 0.306 14 A C 0.149 177.731 177.584 -0.003 0.000 1.192 14 A CA -0.046 51.949 52.037 -0.071 0.000 0.994 14 A CB 0.154 19.092 19.000 -0.103 0.000 1.107 14 A HN 0.127 nan 8.150 nan 0.000 0.585 15 T N -0.926 113.580 114.554 -0.081 0.000 2.865 15 T HA 0.349 4.696 4.350 -0.004 0.000 0.294 15 T C -1.403 173.227 174.700 -0.117 0.000 1.119 15 T CA -0.589 61.379 62.100 -0.219 0.000 1.007 15 T CB 1.133 69.552 68.868 -0.749 0.000 1.225 15 T HN 0.296 nan 8.240 nan 0.000 0.515 16 D N 1.916 122.282 120.400 -0.056 0.000 2.424 16 D HA 0.150 4.787 4.640 -0.004 0.000 0.244 16 D C 1.183 177.542 176.300 0.098 0.000 1.134 16 D CA 0.193 54.246 54.000 0.089 0.000 0.881 16 D CB 1.485 42.473 40.800 0.313 0.000 1.191 16 D HN 0.516 nan 8.370 nan 0.000 0.445 17 S N 1.907 117.700 115.700 0.156 0.000 2.372 17 S HA -0.276 4.192 4.470 -0.004 0.000 0.227 17 S C 1.885 176.676 174.600 0.318 0.000 1.044 17 S CA 1.478 59.826 58.200 0.246 0.000 1.050 17 S CB -0.577 62.764 63.200 0.236 0.000 0.901 17 S HN 0.725 nan 8.310 nan 0.000 0.447 18 Y N 1.203 121.511 120.300 0.013 0.000 2.403 18 Y HA 0.015 4.564 4.550 -0.001 0.000 0.291 18 Y C 1.876 177.430 175.900 -0.577 0.000 1.143 18 Y CA 0.804 58.851 58.100 -0.087 0.000 1.257 18 Y CB -0.411 38.060 38.460 0.017 0.000 0.984 18 Y HN 0.097 nan 8.280 nan 0.000 0.550 19 K N 0.806 120.805 120.400 -0.667 0.000 2.283 19 K HA -0.052 4.266 4.320 -0.004 0.000 0.202 19 K C 1.855 178.156 176.600 -0.499 0.000 1.048 19 K CA 1.066 56.772 56.287 -0.968 0.000 0.948 19 K CB -0.071 32.096 32.500 -0.556 0.000 0.742 19 K HN 0.241 nan 8.250 nan 0.000 0.458 20 V N 1.369 121.056 119.914 -0.378 0.000 2.568 20 V HA -0.238 3.879 4.120 -0.004 0.000 0.253 20 V C 2.318 178.422 176.094 0.017 0.000 1.072 20 V CA 2.291 64.536 62.300 -0.092 0.000 1.084 20 V CB -0.859 30.796 31.823 -0.279 0.000 0.676 20 V HN 0.543 nan 8.190 nan 0.000 0.469 21 T N -3.804 110.625 114.554 -0.208 0.000 3.107 21 T HA 0.013 4.361 4.350 -0.004 0.000 0.249 21 T C 1.406 176.056 174.700 -0.083 0.000 1.096 21 T CA 0.456 62.438 62.100 -0.197 0.000 1.012 21 T CB -0.500 68.209 68.868 -0.265 0.000 0.977 21 T HN 0.628 nan 8.240 nan 0.000 0.527 22 H N 0.079 119.152 119.070 0.006 0.000 2.462 22 H HA 0.041 4.594 4.556 -0.005 0.000 0.292 22 H C 1.880 177.279 175.328 0.118 0.000 1.049 22 H CA 1.310 57.338 56.048 -0.033 0.000 1.334 22 H CB -0.197 29.561 29.762 -0.008 0.000 1.404 22 H HN 0.701 nan 8.280 nan 0.000 0.544 23 Y N 1.030 121.500 120.300 0.283 0.000 2.465 23 Y HA -0.068 4.479 4.550 -0.005 0.000 0.289 23 Y C 1.473 177.535 175.900 0.269 0.000 1.150 23 Y CA 0.593 58.880 58.100 0.312 0.000 1.293 23 Y CB -0.165 38.236 38.460 -0.098 0.000 0.977 23 Y HN -0.089 nan 8.280 nan 0.000 0.556 24 K N 0.174 120.271 120.400 -0.504 0.000 2.404 24 K HA 0.074 4.392 4.320 -0.004 0.000 0.194 24 K C 1.150 177.650 176.600 -0.166 0.000 1.023 24 K CA 0.405 56.433 56.287 -0.431 0.000 1.094 24 K CB 0.175 32.307 32.500 -0.613 0.000 0.841 24 K HN 0.573 nan 8.250 nan 0.000 0.523 25 Q N -1.000 118.739 119.800 -0.102 0.000 2.353 25 Q HA 0.107 4.444 4.340 -0.004 0.000 0.240 25 Q C -0.220 175.690 176.000 -0.149 0.000 0.868 25 Q CA -0.108 55.602 55.803 -0.155 0.000 0.944 25 Q CB 0.382 28.976 28.738 -0.239 0.000 1.104 25 Q HN 0.190 nan 8.270 nan 0.000 0.531 26 Y N 2.389 122.722 120.300 0.054 0.000 2.550 26 Y HA 0.028 4.576 4.550 -0.004 0.000 0.343 26 Y C -1.740 174.140 175.900 -0.034 0.000 1.245 26 Y CA -1.721 56.403 58.100 0.039 0.000 1.462 26 Y CB -0.168 38.377 38.460 0.142 0.000 1.340 26 Y HN 0.043 nan 8.280 nan 0.000 0.604 27 P HA 0.042 nan 4.420 nan 0.000 0.267 27 P C -2.539 174.736 177.300 -0.042 0.000 1.200 27 P CA -0.938 62.171 63.100 0.015 0.000 0.772 27 P CB -0.002 31.698 31.700 0.000 0.000 0.855 28 P HA -0.003 nan 4.420 nan 0.000 0.268 28 P C -0.064 177.168 177.300 -0.113 0.000 1.208 28 P CA 0.352 63.405 63.100 -0.080 0.000 0.777 28 P CB 0.078 31.749 31.700 -0.048 0.000 0.875 29 N N -1.634 116.980 118.700 -0.142 0.000 2.735 29 N HA -0.137 4.600 4.740 -0.004 0.000 0.248 29 N C -0.717 174.682 175.510 -0.185 0.000 1.083 29 N CA 1.034 53.999 53.050 -0.142 0.000 0.703 29 N CB -2.307 36.130 38.487 -0.084 0.000 1.005 29 N HN 0.374 nan 8.380 nan 0.000 0.550 30 T N 0.256 114.620 114.554 -0.316 0.000 2.761 30 T HA 0.308 4.655 4.350 -0.004 0.000 0.296 30 T C 1.454 175.962 174.700 -0.320 0.000 0.934 30 T CA 0.132 62.038 62.100 -0.323 0.000 1.091 30 T CB 1.072 69.720 68.868 -0.367 0.000 0.896 30 T HN 0.361 nan 8.240 nan 0.000 0.515 31 S N 2.255 117.874 115.700 -0.134 0.000 2.505 31 S HA 0.260 4.728 4.470 -0.004 0.000 0.216 31 S C 0.436 175.055 174.600 0.032 0.000 1.018 31 S CA -0.386 57.797 58.200 -0.028 0.000 0.911 31 S CB 0.165 63.354 63.200 -0.018 0.000 0.818 31 S HN 0.489 nan 8.310 nan 0.000 0.497 32 K N 1.006 121.407 120.400 0.001 0.000 2.535 32 K HA 0.626 4.944 4.320 -0.004 0.000 0.250 32 K C -1.963 174.643 176.600 0.011 0.000 0.948 32 K CA -0.498 55.812 56.287 0.038 0.000 0.796 32 K CB 2.238 34.776 32.500 0.062 0.000 1.216 32 K HN 0.012 nan 8.250 nan 0.000 0.432 33 V N 5.163 125.106 119.914 0.049 0.000 2.448 33 V HA 0.464 4.582 4.120 -0.004 0.000 0.295 33 V C -1.337 174.882 176.094 0.208 0.000 1.025 33 V CA -0.776 61.564 62.300 0.066 0.000 0.859 33 V CB 1.300 33.100 31.823 -0.038 0.000 0.988 33 V HN 0.780 nan 8.190 nan 0.000 0.431 34 Y N 3.473 123.852 120.300 0.131 0.000 2.376 34 Y HA 0.744 5.292 4.550 -0.004 0.000 0.340 34 Y C -0.042 175.942 175.900 0.139 0.000 0.965 34 Y CA -0.041 58.163 58.100 0.172 0.000 1.078 34 Y CB 2.042 40.670 38.460 0.280 0.000 1.193 34 Y HN 0.645 nan 8.280 nan 0.000 0.452 35 S N 4.703 120.285 115.700 -0.197 0.000 2.627 35 S HA 0.620 5.088 4.470 -0.004 0.000 0.283 35 S C -1.888 172.402 174.600 -0.517 0.000 1.127 35 S CA -0.719 57.295 58.200 -0.309 0.000 0.863 35 S CB 1.817 64.760 63.200 -0.429 0.000 1.121 35 S HN 0.698 nan 8.310 nan 0.000 0.479 36 Y N -0.467 119.394 120.300 -0.730 0.000 2.597 36 Y HA 0.804 5.352 4.550 -0.004 0.000 0.340 36 Y C -1.795 173.747 175.900 -0.596 0.000 1.097 36 Y CA -1.502 56.259 58.100 -0.565 0.000 1.037 36 Y CB 0.881 39.156 38.460 -0.309 0.000 1.305 36 Y HN 0.600 nan 8.280 nan 0.000 0.463 37 F N 3.227 122.675 119.950 -0.836 0.000 2.469 37 F HA 0.649 5.173 4.527 -0.005 0.000 0.332 37 F C -0.815 174.759 175.800 -0.377 0.000 1.103 37 F CA -0.322 57.214 58.000 -0.773 0.000 0.979 37 F CB 1.353 39.581 39.000 -1.287 0.000 1.137 37 F HN 0.784 nan 8.300 nan 0.000 0.463 38 E N 3.542 123.335 120.200 -0.679 0.000 2.408 38 E HA 0.443 4.791 4.350 -0.004 0.000 0.275 38 E C -1.749 174.530 176.600 -0.536 0.000 0.935 38 E CA -1.190 55.008 56.400 -0.336 0.000 0.775 38 E CB 1.440 31.137 29.700 -0.005 0.000 1.277 38 E HN 0.516 nan 8.360 nan 0.000 0.455 39 C N 2.467 121.643 119.300 -0.206 0.000 2.158 39 C HA 0.332 4.789 4.460 -0.004 0.000 0.350 39 C C 0.571 175.523 174.990 -0.064 0.000 1.064 39 C CA -0.561 58.390 59.018 -0.111 0.000 1.507 39 C CB -1.845 25.920 27.740 0.041 0.000 1.934 39 C HN 0.529 nan 8.230 nan 0.000 0.479 40 R N 1.765 122.210 120.500 -0.091 0.000 2.697 40 R HA 0.042 4.380 4.340 -0.004 0.000 0.265 40 R C 0.781 177.076 176.300 -0.009 0.000 1.009 40 R CA 0.356 56.433 56.100 -0.040 0.000 1.099 40 R CB 0.674 30.946 30.300 -0.046 0.000 0.965 40 R HN 0.716 nan 8.270 nan 0.000 0.428 55 E N 0.239 120.507 120.200 0.113 0.000 2.481 55 E HA -0.006 4.341 4.350 -0.004 0.000 0.195 55 E C 0.062 176.711 176.600 0.082 0.000 1.047 55 E CA 0.473 56.926 56.400 0.089 0.000 0.867 55 E CB 0.570 30.303 29.700 0.056 0.000 0.858 55 E HN 0.718 nan 8.360 nan 0.000 0.513 56 E N 1.255 121.511 120.200 0.092 0.000 2.314 56 E HA 0.356 4.703 4.350 -0.004 0.000 0.272 56 E C -0.830 175.827 176.600 0.096 0.000 0.884 56 E CA -0.988 55.453 56.400 0.067 0.000 0.753 56 E CB 1.799 31.525 29.700 0.043 0.000 1.213 56 E HN -0.012 nan 8.360 nan 0.000 0.432 57 T N -1.042 113.564 114.554 0.086 0.000 2.885 57 T HA 0.455 4.803 4.350 -0.004 0.000 0.285 57 T C -0.166 174.611 174.700 0.128 0.000 1.019 57 T CA -0.814 61.362 62.100 0.127 0.000 1.010 57 T CB 1.412 70.380 68.868 0.167 0.000 1.022 57 T HN 0.284 nan 8.240 nan 0.000 0.466 58 V N 3.826 123.815 119.914 0.126 0.000 2.408 58 V HA 0.277 4.395 4.120 -0.004 0.000 0.267 58 V C -0.095 176.121 176.094 0.202 0.000 1.047 58 V CA -0.721 61.651 62.300 0.119 0.000 0.937 58 V CB -0.292 31.553 31.823 0.036 0.000 0.999 58 V HN 0.862 nan 8.190 nan 0.000 0.472 59 F N 7.843 127.860 119.950 0.111 0.000 2.462 59 F HA 0.448 4.972 4.527 -0.005 0.000 0.360 59 F C -0.519 175.372 175.800 0.151 0.000 1.134 59 F CA -0.434 57.646 58.000 0.133 0.000 1.148 59 F CB -0.093 38.982 39.000 0.124 0.000 1.147 59 F HN 0.530 nan 8.300 nan 0.000 0.550 60 Y N 4.322 124.262 120.300 -0.600 0.000 2.479 60 Y HA 0.539 5.087 4.550 -0.005 0.000 0.338 60 Y C 0.098 175.698 175.900 -0.502 0.000 1.055 60 Y CA -0.730 57.068 58.100 -0.504 0.000 1.023 60 Y CB 1.982 40.263 38.460 -0.298 0.000 1.287 60 Y HN 0.674 nan 8.280 nan 0.000 0.447 61 G N 3.751 111.862 108.800 -1.148 0.000 2.229 61 G HA2 -0.256 3.702 3.960 -0.004 0.000 0.189 61 G HA3 -0.256 3.702 3.960 -0.004 0.000 0.189 61 G C 0.441 175.072 174.900 -0.448 0.000 1.000 61 G CA 0.137 44.654 45.100 -0.972 0.000 0.663 61 G HN 0.914 nan 8.290 nan 0.000 0.493 62 L N 1.311 122.250 121.223 -0.473 0.000 2.046 62 L HA 0.119 4.457 4.340 -0.004 0.000 0.208 62 L C 2.641 179.397 176.870 -0.190 0.000 1.077 62 L CA 3.279 57.927 54.840 -0.321 0.000 0.747 62 L CB -0.537 41.359 42.059 -0.271 0.000 0.896 62 L HN 0.484 nan 8.230 nan 0.000 0.432 63 Q N -1.817 117.932 119.800 -0.085 0.000 2.152 63 Q HA -0.317 4.020 4.340 -0.004 0.000 0.206 63 Q C 2.247 178.111 176.000 -0.226 0.000 0.985 63 Q CA 2.235 57.982 55.803 -0.093 0.000 0.863 63 Q CB -0.483 28.242 28.738 -0.023 0.000 0.904 63 Q HN 0.687 nan 8.270 nan 0.000 0.422 64 Y N 0.693 120.759 120.300 -0.390 0.000 2.128 64 Y HA -0.261 4.287 4.550 -0.005 0.000 0.284 64 Y C 1.724 177.286 175.900 -0.563 0.000 1.154 64 Y CA 2.039 59.770 58.100 -0.615 0.000 1.149 64 Y CB -0.277 37.881 38.460 -0.504 0.000 0.976 64 Y HN 0.131 nan 8.280 nan 0.000 0.505 65 I N -0.263 120.065 120.570 -0.404 0.000 2.226 65 I HA -0.332 3.835 4.170 -0.004 0.000 0.245 65 I C 2.397 178.322 176.117 -0.320 0.000 1.100 65 I CA 1.295 62.383 61.300 -0.354 0.000 1.374 65 I CB -0.523 37.386 38.000 -0.151 0.000 1.057 65 I HN 0.267 nan 8.210 nan 0.000 0.413 66 L N 0.445 121.512 121.223 -0.261 0.000 2.013 66 L HA -0.264 4.073 4.340 -0.004 0.000 0.212 66 L C 2.357 179.161 176.870 -0.109 0.000 1.073 66 L CA 1.574 56.316 54.840 -0.163 0.000 0.753 66 L CB -0.833 41.195 42.059 -0.052 0.000 0.890 66 L HN 0.387 nan 8.230 nan 0.000 0.432 67 N N -0.065 118.526 118.700 -0.182 0.000 2.173 67 N HA -0.164 4.574 4.740 -0.004 0.000 0.184 67 N C 1.878 177.258 175.510 -0.216 0.000 1.025 67 N CA 1.076 54.058 53.050 -0.114 0.000 0.852 67 N CB 0.017 38.525 38.487 0.035 0.000 0.998 67 N HN 0.307 nan 8.380 nan 0.000 0.427 68 K N -0.176 119.875 120.400 -0.583 0.000 2.062 68 K HA -0.071 4.246 4.320 -0.004 0.000 0.205 68 K C 1.071 177.171 176.600 -0.832 0.000 1.051 68 K CA 1.222 56.982 56.287 -0.878 0.000 0.941 68 K CB 0.136 31.575 32.500 -1.769 0.000 0.719 68 K HN 0.245 nan 8.250 nan 0.000 0.440 69 Y N -1.535 118.508 120.300 -0.428 0.000 2.526 69 Y HA 0.172 4.720 4.550 -0.004 0.000 0.265 69 Y C 1.557 177.373 175.900 -0.141 0.000 1.092 69 Y CA -0.373 57.474 58.100 -0.422 0.000 1.277 69 Y CB 0.725 38.854 38.460 -0.551 0.000 1.228 69 Y HN -0.115 nan 8.280 nan 0.000 0.507 70 L N 0.429 121.660 121.223 0.013 0.000 2.537 70 L HA 0.121 4.458 4.340 -0.004 0.000 0.224 70 L C 0.558 177.554 176.870 0.209 0.000 1.065 70 L CA 0.109 54.966 54.840 0.029 0.000 0.860 70 L CB 0.223 42.117 42.059 -0.275 0.000 1.086 70 L HN 0.003 nan 8.230 nan 0.000 0.482 71 K N 0.647 121.174 120.400 0.212 0.000 2.118 71 K HA 0.578 4.895 4.320 -0.004 0.000 0.264 71 K C 0.409 177.000 176.600 -0.015 0.000 1.000 71 K CA 0.242 56.663 56.287 0.223 0.000 0.929 71 K CB 1.330 33.915 32.500 0.141 0.000 1.021 71 K HN 0.028 nan 8.250 nan 0.000 0.463 72 G N 1.106 109.777 108.800 -0.215 0.000 2.615 72 G HA2 -0.281 3.677 3.960 -0.004 0.000 0.218 72 G HA3 -0.281 3.677 3.960 -0.004 0.000 0.218 72 G C -1.199 173.259 174.900 -0.737 0.000 1.339 72 G CA -0.070 44.754 45.100 -0.460 0.000 0.884 72 G HN 0.863 nan 8.290 nan 0.000 0.559 73 K N 0.284 120.440 120.400 -0.406 0.000 2.262 73 K HA 0.479 4.796 4.320 -0.004 0.000 0.288 73 K C 1.361 177.945 176.600 -0.027 0.000 1.090 73 K CA 0.200 56.401 56.287 -0.143 0.000 0.918 73 K CB 0.418 32.959 32.500 0.068 0.000 1.139 73 K HN 1.269 nan 8.250 nan 0.000 0.462 74 V N 1.414 121.342 119.914 0.023 0.000 3.578 74 V HA 0.220 4.338 4.120 -0.004 0.000 0.290 74 V C -0.048 176.099 176.094 0.088 0.000 1.376 74 V CA -0.393 61.960 62.300 0.087 0.000 1.083 74 V CB 0.591 32.499 31.823 0.143 0.000 0.911 74 V HN 0.262 nan 8.190 nan 0.000 0.433 75 V N 2.049 122.028 119.914 0.108 0.000 2.487 75 V HA 0.736 4.853 4.120 -0.004 0.000 0.298 75 V C 0.140 176.286 176.094 0.087 0.000 1.028 75 V CA 0.408 62.770 62.300 0.104 0.000 0.860 75 V CB 1.389 33.362 31.823 0.250 0.000 0.991 75 V HN 0.613 nan 8.190 nan 0.000 0.427 76 T N 0.314 114.895 114.554 0.045 0.000 2.907 76 T HA 0.441 4.788 4.350 -0.004 0.000 0.290 76 T C 0.796 175.518 174.700 0.038 0.000 1.066 76 T CA -0.617 61.509 62.100 0.044 0.000 1.012 76 T CB 2.206 71.090 68.868 0.026 0.000 1.184 76 T HN 0.545 nan 8.240 nan 0.000 0.522 77 K N 0.270 120.693 120.400 0.040 0.000 2.113 77 K HA -0.196 4.122 4.320 -0.004 0.000 0.208 77 K C 1.654 178.266 176.600 0.019 0.000 1.047 77 K CA 1.991 58.300 56.287 0.038 0.000 0.928 77 K CB -0.167 32.353 32.500 0.033 0.000 0.716 77 K HN 0.675 nan 8.250 nan 0.000 0.446 78 E N 0.479 120.682 120.200 0.003 0.000 2.107 78 E HA -0.088 4.259 4.350 -0.004 0.000 0.191 78 E C 1.784 178.357 176.600 -0.044 0.000 0.982 78 E CA 1.199 57.590 56.400 -0.016 0.000 0.809 78 E CB 0.110 29.800 29.700 -0.017 0.000 0.756 78 E HN 0.275 nan 8.360 nan 0.000 0.459 79 K N 0.390 120.758 120.400 -0.054 0.000 2.057 79 K HA -0.088 4.229 4.320 -0.004 0.000 0.207 79 K C 2.096 178.622 176.600 -0.123 0.000 1.049 79 K CA 1.157 57.378 56.287 -0.110 0.000 0.931 79 K CB -0.193 32.234 32.500 -0.122 0.000 0.714 79 K HN 0.132 nan 8.250 nan 0.000 0.440 80 I N 0.894 121.438 120.570 -0.044 0.000 2.226 80 I HA -0.297 3.870 4.170 -0.004 0.000 0.245 80 I C 2.661 178.807 176.117 0.048 0.000 1.100 80 I CA 1.193 62.524 61.300 0.052 0.000 1.374 80 I CB -0.231 37.856 38.000 0.145 0.000 1.057 80 I HN 0.187 nan 8.210 nan 0.000 0.413 81 Q N 1.164 120.972 119.800 0.014 0.000 2.079 81 Q HA -0.257 4.080 4.340 -0.004 0.000 0.200 81 Q C 1.933 177.889 176.000 -0.074 0.000 0.974 81 Q CA 1.830 57.632 55.803 -0.001 0.000 0.840 81 Q CB -0.117 28.622 28.738 0.002 0.000 0.898 81 Q HN 0.384 nan 8.270 nan 0.000 0.430 82 E N -0.304 119.825 120.200 -0.119 0.000 2.051 82 E HA -0.138 4.210 4.350 -0.004 0.000 0.192 82 E C 1.705 178.129 176.600 -0.293 0.000 0.991 82 E CA 1.675 57.968 56.400 -0.177 0.000 0.799 82 E CB -0.593 29.003 29.700 -0.174 0.000 0.748 82 E HN 0.389 nan 8.360 nan 0.000 0.449 83 A N 1.003 123.588 122.820 -0.392 0.000 1.902 83 A HA -0.215 4.102 4.320 -0.004 0.000 0.217 83 A C 2.199 179.351 177.584 -0.719 0.000 1.181 83 A CA 1.885 53.508 52.037 -0.690 0.000 0.623 83 A CB -0.661 17.902 19.000 -0.728 0.000 0.818 83 A HN 0.284 nan 8.150 nan 0.000 0.443 84 K N -0.479 119.649 120.400 -0.453 0.000 2.044 84 K HA -0.245 4.072 4.320 -0.004 0.000 0.210 84 K C 1.351 177.935 176.600 -0.027 0.000 1.049 84 K CA 1.992 58.236 56.287 -0.071 0.000 0.927 84 K CB -0.260 32.355 32.500 0.193 0.000 0.713 84 K HN 0.403 nan 8.250 nan 0.000 0.443 85 D N 0.024 120.373 120.400 -0.084 0.000 2.144 85 D HA -0.111 4.526 4.640 -0.004 0.000 0.200 85 D C 1.989 178.232 176.300 -0.095 0.000 0.978 85 D CA 0.834 54.800 54.000 -0.058 0.000 0.833 85 D CB -0.131 40.629 40.800 -0.068 0.000 0.961 85 D HN 0.047 nan 8.370 nan 0.000 0.470 86 V N 0.438 120.212 119.914 -0.233 0.000 2.270 86 V HA -0.249 3.868 4.120 -0.004 0.000 0.245 86 V C 2.082 178.082 176.094 -0.158 0.000 1.043 86 V CA 1.398 63.524 62.300 -0.291 0.000 1.014 86 V CB -0.829 30.681 31.823 -0.522 0.000 0.645 86 V HN 0.239 nan 8.190 nan 0.000 0.447 87 Y N 0.369 120.665 120.300 -0.006 0.000 2.207 87 Y HA -0.306 4.241 4.550 -0.005 0.000 0.287 87 Y C 2.603 178.676 175.900 0.289 0.000 1.156 87 Y CA 1.628 59.858 58.100 0.216 0.000 1.182 87 Y CB -0.305 38.309 38.460 0.257 0.000 0.979 87 Y HN 0.164 nan 8.280 nan 0.000 0.521 88 K N 0.873 121.451 120.400 0.297 0.000 2.063 88 K HA -0.191 4.126 4.320 -0.004 0.000 0.208 88 K C 1.576 178.286 176.600 0.183 0.000 1.048 88 K CA 1.837 58.260 56.287 0.227 0.000 0.928 88 K CB -0.203 32.383 32.500 0.144 0.000 0.713 88 K HN 0.204 nan 8.250 nan 0.000 0.442 89 E N -0.975 119.303 120.200 0.130 0.000 2.122 89 E HA -0.130 4.217 4.350 -0.004 0.000 0.190 89 E C 2.088 178.751 176.600 0.105 0.000 0.977 89 E CA 0.928 57.381 56.400 0.088 0.000 0.820 89 E CB -0.478 29.244 29.700 0.036 0.000 0.770 89 E HN 0.505 nan 8.360 nan 0.000 0.462 90 H N -0.170 118.896 119.070 -0.007 0.000 2.357 90 H HA -0.049 4.504 4.556 -0.005 0.000 0.301 90 H C 1.324 176.524 175.328 -0.213 0.000 1.082 90 H CA 1.465 57.433 56.048 -0.133 0.000 1.342 90 H CB -0.225 29.433 29.762 -0.174 0.000 1.389 90 H HN 0.046 nan 8.280 nan 0.000 0.511 91 F N 0.157 120.141 119.950 0.057 0.000 2.749 91 F HA 0.120 4.645 4.527 -0.004 0.000 0.300 91 F C 0.716 176.521 175.800 0.008 0.000 1.103 91 F CA 0.130 58.117 58.000 -0.022 0.000 1.342 91 F CB 0.375 39.398 39.000 0.038 0.000 1.098 91 F HN 0.012 nan 8.300 nan 0.000 0.586 92 Q N 1.341 121.246 119.800 0.175 0.000 2.453 92 Q HA -0.265 4.073 4.340 -0.004 0.000 0.294 92 Q C -0.959 175.124 176.000 0.138 0.000 1.295 92 Q CA 1.337 57.213 55.803 0.122 0.000 0.853 92 Q CB -1.746 27.034 28.738 0.069 0.000 1.193 92 Q HN 0.621 nan 8.270 nan 0.000 0.461 93 D N -1.246 119.265 120.400 0.184 0.000 2.728 93 D HA 0.159 4.796 4.640 -0.004 0.000 0.249 93 D C -1.692 174.709 176.300 0.167 0.000 1.225 93 D CA -0.510 53.577 54.000 0.146 0.000 0.748 93 D CB 0.957 41.833 40.800 0.126 0.000 1.326 93 D HN -0.079 nan 8.370 nan 0.000 0.426 94 D N 2.118 122.592 120.400 0.122 0.000 2.479 94 D HA 0.218 4.855 4.640 -0.004 0.000 0.218 94 D C 0.777 177.139 176.300 0.103 0.000 1.131 94 D CA 0.076 54.162 54.000 0.143 0.000 0.916 94 D CB 1.404 42.279 40.800 0.124 0.000 1.022 94 D HN 0.189 nan 8.370 nan 0.000 0.515 95 V N 2.420 122.384 119.914 0.084 0.000 3.379 95 V HA 0.083 4.200 4.120 -0.004 0.000 0.249 95 V C 1.009 177.211 176.094 0.181 0.000 1.184 95 V CA -0.359 61.945 62.300 0.006 0.000 1.106 95 V CB -0.418 31.208 31.823 -0.328 0.000 0.826 95 V HN 0.307 nan 8.190 nan 0.000 0.465 96 F N 3.414 123.397 119.950 0.056 0.000 2.608 96 F HA 0.172 4.697 4.527 -0.004 0.000 0.380 96 F C 0.840 176.623 175.800 -0.028 0.000 1.083 96 F CA -0.526 57.516 58.000 0.070 0.000 1.266 96 F CB 0.066 39.197 39.000 0.217 0.000 1.076 96 F HN 0.051 nan 8.300 nan 0.000 0.574 97 N N 5.101 123.191 118.700 -1.016 0.000 3.027 97 N HA -0.072 4.665 4.740 -0.004 0.000 0.309 97 N C 1.287 176.084 175.510 -1.188 0.000 1.222 97 N CA 0.431 52.675 53.050 -1.344 0.000 1.187 97 N CB -0.487 36.804 38.487 -1.994 0.000 1.458 97 N HN 0.877 nan 8.380 nan 0.000 0.535 98 E N 1.269 120.941 120.200 -0.879 0.000 2.085 98 E HA -0.227 4.121 4.350 -0.004 0.000 0.194 98 E C 1.094 177.563 176.600 -0.218 0.000 0.994 98 E CA 1.197 57.340 56.400 -0.428 0.000 0.801 98 E CB 0.252 29.909 29.700 -0.071 0.000 0.743 98 E HN 0.430 nan 8.360 nan 0.000 0.453 99 K N -0.418 119.839 120.400 -0.239 0.000 2.057 99 K HA -0.094 4.224 4.320 -0.004 0.000 0.207 99 K C 2.163 178.695 176.600 -0.113 0.000 1.049 99 K CA 1.125 57.338 56.287 -0.124 0.000 0.931 99 K CB -0.320 32.114 32.500 -0.110 0.000 0.714 99 K HN 0.236 nan 8.250 nan 0.000 0.440 100 G N 0.242 108.837 108.800 -0.341 0.000 2.440 100 G HA2 -0.244 3.713 3.960 -0.004 0.000 0.218 100 G HA3 -0.244 3.713 3.960 -0.004 0.000 0.218 100 G C 1.082 175.941 174.900 -0.069 0.000 1.154 100 G CA 0.705 45.625 45.100 -0.301 0.000 0.767 100 G HN 0.368 nan 8.290 nan 0.000 0.552 101 W N 0.688 121.888 121.300 -0.166 0.000 2.388 101 W HA 0.053 4.710 4.660 -0.005 0.000 0.294 101 W C 2.599 179.149 176.519 0.051 0.000 1.212 101 W CA 0.732 58.070 57.345 -0.012 0.000 1.271 101 W CB -0.138 29.259 29.460 -0.105 0.000 1.126 101 W HN 0.211 nan 8.180 nan 0.000 0.535 102 N N -0.930 117.908 118.700 0.230 0.000 2.166 102 N HA -0.276 4.461 4.740 -0.004 0.000 0.186 102 N C 1.567 177.166 175.510 0.148 0.000 1.019 102 N CA 1.492 54.639 53.050 0.161 0.000 0.856 102 N CB -0.496 38.053 38.487 0.103 0.000 0.993 102 N HN 0.096 nan 8.380 nan 0.000 0.426 103 Y N 1.647 121.980 120.300 0.055 0.000 2.081 103 Y HA -0.223 4.324 4.550 -0.005 0.000 0.280 103 Y C 1.863 177.809 175.900 0.076 0.000 1.163 103 Y CA 1.548 59.674 58.100 0.044 0.000 1.135 103 Y CB -0.345 38.142 38.460 0.046 0.000 0.970 103 Y HN 0.050 nan 8.280 nan 0.000 0.498 104 I N -0.687 119.966 120.570 0.139 0.000 2.163 104 I HA -0.308 3.859 4.170 -0.004 0.000 0.243 104 I C 2.351 178.538 176.117 0.117 0.000 1.085 104 I CA 1.345 62.738 61.300 0.154 0.000 1.347 104 I CB -0.603 37.530 38.000 0.221 0.000 1.044 104 I HN 0.323 nan 8.210 nan 0.000 0.408 105 L N 0.966 122.274 121.223 0.143 0.000 1.989 105 L HA -0.240 4.097 4.340 -0.004 0.000 0.211 105 L C 2.379 179.256 176.870 0.012 0.000 1.071 105 L CA 1.989 56.896 54.840 0.111 0.000 0.749 105 L CB -0.691 41.443 42.059 0.125 0.000 0.890 105 L HN 0.211 nan 8.230 nan 0.000 0.431 106 E N -0.722 119.444 120.200 -0.056 0.000 2.047 106 E HA -0.262 4.086 4.350 -0.004 0.000 0.191 106 E C 2.134 178.593 176.600 -0.235 0.000 0.987 106 E CA 1.414 57.746 56.400 -0.114 0.000 0.799 106 E CB -0.092 29.552 29.700 -0.093 0.000 0.752 106 E HN 0.460 nan 8.360 nan 0.000 0.449 107 K N -0.072 120.054 120.400 -0.457 0.000 2.116 107 K HA -0.081 4.236 4.320 -0.004 0.000 0.203 107 K C 0.790 176.949 176.600 -0.735 0.000 1.052 107 K CA 1.110 56.961 56.287 -0.728 0.000 0.952 107 K CB 0.156 31.890 32.500 -1.277 0.000 0.729 107 K HN 0.120 nan 8.250 nan 0.000 0.446 108 Y N 0.169 120.371 120.300 -0.163 0.000 2.682 108 Y HA 0.195 4.742 4.550 -0.004 0.000 0.251 108 Y C -0.465 175.417 175.900 -0.030 0.000 1.172 108 Y CA -0.417 57.629 58.100 -0.090 0.000 1.186 108 Y CB 0.735 39.169 38.460 -0.042 0.000 1.216 108 Y HN 0.136 nan 8.280 nan 0.000 0.540 109 D N 1.123 121.567 120.400 0.073 0.000 2.708 109 D HA -0.208 4.430 4.640 -0.004 0.000 0.236 109 D C 1.277 177.742 176.300 0.275 0.000 1.146 109 D CA 1.557 55.626 54.000 0.115 0.000 0.662 109 D CB -1.108 39.720 40.800 0.047 0.000 1.059 109 D HN 0.739 nan 8.370 nan 0.000 0.428 110 G N -0.563 108.393 108.800 0.258 0.000 2.148 110 G HA2 -0.344 3.613 3.960 -0.004 0.000 0.254 110 G HA3 -0.344 3.613 3.960 -0.004 0.000 0.254 110 G C 0.068 175.128 174.900 0.268 0.000 0.981 110 G CA 0.396 45.650 45.100 0.257 0.000 0.670 110 G HN 0.685 nan 8.290 nan 0.000 0.528 111 H N -0.312 118.842 119.070 0.141 0.000 2.580 111 H HA 0.556 5.109 4.556 -0.004 0.000 0.322 111 H C 1.051 176.416 175.328 0.061 0.000 1.082 111 H CA -0.577 55.529 56.048 0.097 0.000 1.383 111 H CB 0.794 30.577 29.762 0.036 0.000 1.450 111 H HN 0.244 nan 8.280 nan 0.000 0.505 112 L N 6.032 127.358 121.223 0.171 0.000 2.477 112 L HA 0.162 4.499 4.340 -0.004 0.000 0.272 112 L C -1.803 175.058 176.870 -0.015 0.000 1.157 112 L CA -1.736 53.167 54.840 0.106 0.000 0.889 112 L CB 0.390 42.572 42.059 0.205 0.000 1.158 112 L HN 0.494 nan 8.230 nan 0.000 0.473 113 P HA 0.252 nan 4.420 nan 0.000 0.238 113 P C -0.672 176.548 177.300 -0.132 0.000 1.794 113 P CA 0.193 63.095 63.100 -0.330 0.000 1.088 113 P CB 0.066 31.433 31.700 -0.555 0.000 1.923 114 I N 1.130 121.715 120.570 0.025 0.000 2.722 114 I HA 0.341 4.508 4.170 -0.004 0.000 0.295 114 I C 0.001 176.247 176.117 0.214 0.000 1.161 114 I CA -0.810 60.558 61.300 0.115 0.000 1.032 114 I CB 3.204 41.297 38.000 0.154 0.000 1.244 114 I HN 0.145 nan 8.210 nan 0.000 0.421 115 E N 6.056 126.357 120.200 0.167 0.000 2.176 115 E HA 0.595 4.943 4.350 -0.004 0.000 0.267 115 E C -1.479 175.236 176.600 0.191 0.000 0.893 115 E CA -0.533 55.981 56.400 0.190 0.000 0.761 115 E CB 1.685 31.459 29.700 0.123 0.000 1.133 115 E HN 0.443 nan 8.360 nan 0.000 0.409 116 I N 4.635 125.347 120.570 0.237 0.000 2.362 116 I HA 0.308 4.475 4.170 -0.004 0.000 0.289 116 I C -0.279 175.938 176.117 0.167 0.000 0.994 116 I CA -0.697 60.706 61.300 0.172 0.000 1.158 116 I CB 1.500 39.554 38.000 0.089 0.000 1.315 116 I HN 0.285 nan 8.210 nan 0.000 0.451 117 K N 5.635 126.125 120.400 0.150 0.000 2.206 117 K HA 0.868 5.185 4.320 -0.004 0.000 0.264 117 K C -0.811 175.876 176.600 0.146 0.000 0.967 117 K CA -0.618 55.750 56.287 0.134 0.000 0.844 117 K CB 2.385 34.943 32.500 0.097 0.000 1.099 117 K HN 0.683 nan 8.250 nan 0.000 0.441 118 A N 1.869 124.767 122.820 0.129 0.000 2.539 118 A HA 0.432 4.749 4.320 -0.004 0.000 0.296 118 A C -1.038 176.536 177.584 -0.015 0.000 1.073 118 A CA -0.737 51.341 52.037 0.069 0.000 0.700 118 A CB 1.564 20.660 19.000 0.160 0.000 1.296 118 A HN 0.473 nan 8.150 nan 0.000 0.405 119 V N 1.736 121.504 119.914 -0.243 0.000 2.963 119 V HA 0.320 4.437 4.120 -0.004 0.000 0.306 119 V C -2.154 173.791 176.094 -0.249 0.000 1.077 119 V CA -1.312 60.819 62.300 -0.282 0.000 1.124 119 V CB 0.973 32.604 31.823 -0.320 0.000 0.987 119 V HN 0.778 nan 8.190 nan 0.000 0.487 120 P HA 0.106 nan 4.420 nan 0.000 0.268 120 P C -0.622 176.422 177.300 -0.426 0.000 1.205 120 P CA 0.079 62.716 63.100 -0.773 0.000 0.771 120 P CB 0.276 31.287 31.700 -1.149 0.000 0.858 121 E N 1.487 121.403 120.200 -0.475 0.000 2.413 121 E HA 0.186 4.534 4.350 -0.004 0.000 0.263 121 E C 1.263 177.847 176.600 -0.026 0.000 1.015 121 E CA 0.936 57.300 56.400 -0.060 0.000 0.916 121 E CB -0.042 29.676 29.700 0.029 0.000 0.947 121 E HN 0.787 nan 8.360 nan 0.000 0.440 122 G N 2.845 111.699 108.800 0.089 0.000 2.241 122 G HA2 -0.292 3.665 3.960 -0.004 0.000 0.244 122 G HA3 -0.292 3.665 3.960 -0.004 0.000 0.244 122 G C 0.077 175.086 174.900 0.181 0.000 0.998 122 G CA -0.324 44.803 45.100 0.046 0.000 0.621 122 G HN 0.446 nan 8.290 nan 0.000 0.519 123 F N 1.089 121.047 119.950 0.015 0.000 2.607 123 F HA 0.417 4.941 4.527 -0.005 0.000 0.374 123 F C 1.045 176.859 175.800 0.023 0.000 1.104 123 F CA -0.175 57.842 58.000 0.029 0.000 1.296 123 F CB 1.144 40.165 39.000 0.035 0.000 1.085 123 F HN 0.003 nan 8.300 nan 0.000 0.584 124 V N 6.412 126.332 119.914 0.011 0.000 2.328 124 V HA 0.323 4.440 4.120 -0.004 0.000 0.278 124 V C 0.027 176.044 176.094 -0.130 0.000 1.021 124 V CA -0.567 61.724 62.300 -0.015 0.000 0.838 124 V CB 0.851 32.657 31.823 -0.029 0.000 0.999 124 V HN 0.342 nan 8.190 nan 0.000 0.447 125 I N 6.644 127.120 120.570 -0.157 0.000 2.509 125 I HA 0.492 4.660 4.170 -0.004 0.000 0.293 125 I C -2.499 173.502 176.117 -0.193 0.000 1.020 125 I CA -2.658 58.392 61.300 -0.417 0.000 1.088 125 I CB 2.146 39.933 38.000 -0.354 0.000 1.267 125 I HN 0.330 nan 8.210 nan 0.000 0.430 126 P HA 0.115 nan 4.420 nan 0.000 0.269 126 P C -0.092 177.202 177.300 -0.011 0.000 1.215 126 P CA -0.359 62.729 63.100 -0.021 0.000 0.780 126 P CB 0.431 32.162 31.700 0.051 0.000 0.898 127 R N 1.543 122.060 120.500 0.028 0.000 2.758 127 R HA 0.187 4.525 4.340 -0.004 0.000 0.263 127 R C 1.442 177.754 176.300 0.020 0.000 1.010 127 R CA 1.179 57.298 56.100 0.032 0.000 1.114 127 R CB -1.099 29.228 30.300 0.046 0.000 0.985 127 R HN 0.922 nan 8.270 nan 0.000 0.439 128 G N 1.257 110.065 108.800 0.013 0.000 2.143 128 G HA2 -0.248 3.709 3.960 -0.004 0.000 0.248 128 G HA3 -0.248 3.709 3.960 -0.004 0.000 0.248 128 G C -0.076 174.830 174.900 0.010 0.000 0.991 128 G CA -0.028 45.081 45.100 0.015 0.000 0.689 128 G HN 0.583 nan 8.290 nan 0.000 0.522 129 N N -0.661 118.041 118.700 0.003 0.000 2.384 129 N HA 0.472 5.209 4.740 -0.004 0.000 0.301 129 N C 0.100 175.609 175.510 -0.001 0.000 1.133 129 N CA -0.402 52.641 53.050 -0.012 0.000 0.853 129 N CB 2.311 40.776 38.487 -0.037 0.000 1.241 129 N HN 0.171 nan 8.380 nan 0.000 0.502 130 V N 2.865 122.766 119.914 -0.023 0.000 2.540 130 V HA 0.028 4.146 4.120 -0.004 0.000 0.297 130 V C 1.044 177.116 176.094 -0.038 0.000 1.024 130 V CA 0.662 62.962 62.300 0.001 0.000 1.105 130 V CB -0.256 31.529 31.823 -0.063 0.000 0.938 130 V HN 0.545 nan 8.190 nan 0.000 0.482 131 L N 6.680 127.886 121.223 -0.027 0.000 2.362 131 L HA 0.400 4.737 4.340 -0.004 0.000 0.204 131 L C 0.218 176.988 176.870 -0.167 0.000 1.060 131 L CA 0.333 55.073 54.840 -0.167 0.000 0.827 131 L CB 0.049 42.104 42.059 -0.006 0.000 1.027 131 L HN 0.746 nan 8.230 nan 0.000 0.474 132 F N -1.525 118.407 119.950 -0.029 0.000 2.686 132 F HA 0.677 5.201 4.527 -0.005 0.000 0.311 132 F C -0.663 175.156 175.800 0.032 0.000 1.128 132 F CA -1.003 56.985 58.000 -0.020 0.000 0.946 132 F CB 1.233 40.245 39.000 0.019 0.000 1.336 132 F HN -0.193 nan 8.300 nan 0.000 0.457 133 T N -0.550 114.135 114.554 0.217 0.000 2.906 133 T HA 0.837 5.184 4.350 -0.004 0.000 0.295 133 T C -1.619 173.111 174.700 0.051 0.000 1.061 133 T CA -0.851 61.224 62.100 -0.042 0.000 1.000 133 T CB 1.668 70.374 68.868 -0.270 0.000 1.103 133 T HN 0.856 nan 8.240 nan 0.000 0.486 134 V N 2.317 122.182 119.914 -0.082 0.000 2.686 134 V HA 0.751 4.868 4.120 -0.004 0.000 0.306 134 V C -0.577 175.501 176.094 -0.025 0.000 1.065 134 V CA -0.788 61.556 62.300 0.073 0.000 0.894 134 V CB 1.478 33.487 31.823 0.311 0.000 1.004 134 V HN 1.183 nan 8.190 nan 0.000 0.424 135 E N 3.370 123.608 120.200 0.064 0.000 2.413 135 E HA 0.435 4.782 4.350 -0.004 0.000 0.277 135 E C -1.513 175.138 176.600 0.085 0.000 0.958 135 E CA -0.992 55.479 56.400 0.119 0.000 0.779 135 E CB 2.198 32.053 29.700 0.258 0.000 1.278 135 E HN 0.619 nan 8.360 nan 0.000 0.456 136 N N 0.851 119.581 118.700 0.049 0.000 2.530 136 N HA 0.043 4.780 4.740 -0.004 0.000 0.277 136 N C 0.415 175.932 175.510 0.011 0.000 1.168 136 N CA 0.062 53.098 53.050 -0.024 0.000 0.979 136 N CB 1.406 39.829 38.487 -0.108 0.000 1.141 136 N HN 0.667 nan 8.380 nan 0.000 0.459 137 T N -3.683 110.857 114.554 -0.023 0.000 3.054 137 T HA 0.087 4.434 4.350 -0.004 0.000 0.255 137 T C -0.189 174.523 174.700 0.020 0.000 1.035 137 T CA -0.242 61.857 62.100 -0.000 0.000 0.941 137 T CB 0.013 68.863 68.868 -0.030 0.000 1.026 137 T HN 0.554 nan 8.240 nan 0.000 0.533 138 D N 1.148 121.561 120.400 0.022 0.000 2.629 138 D HA 0.363 5.001 4.640 -0.004 0.000 0.250 138 D C -2.261 174.080 176.300 0.069 0.000 1.126 138 D CA -2.304 51.763 54.000 0.113 0.000 0.852 138 D CB 2.772 43.733 40.800 0.267 0.000 1.335 138 D HN -0.214 nan 8.370 nan 0.000 0.518 139 P HA -0.108 nan 4.420 nan 0.000 0.218 139 P C 0.963 178.326 177.300 0.106 0.000 1.148 139 P CA 0.896 64.039 63.100 0.072 0.000 0.822 139 P CB 0.454 32.184 31.700 0.050 0.000 0.784 140 E N -1.222 118.997 120.200 0.030 0.000 2.204 140 E HA -0.122 4.225 4.350 -0.004 0.000 0.195 140 E C 0.848 177.442 176.600 -0.011 0.000 0.990 140 E CA 0.920 57.296 56.400 -0.040 0.000 0.821 140 E CB -0.626 28.763 29.700 -0.519 0.000 0.750 140 E HN 0.291 nan 8.360 nan 0.000 0.477 141 C N 1.593 120.789 119.300 -0.174 0.000 2.492 141 C HA 0.134 4.591 4.460 -0.004 0.000 0.317 141 C C 1.816 176.319 174.990 -0.812 0.000 1.347 141 C CA -1.023 57.572 59.018 -0.704 0.000 1.759 141 C CB -2.209 25.207 27.740 -0.541 0.000 2.127 141 C HN 0.472 nan 8.230 nan 0.000 0.579 142 Y N 0.127 120.228 120.300 -0.332 0.000 2.298 142 Y HA -0.208 4.339 4.550 -0.005 0.000 0.287 142 Y C 2.143 177.881 175.900 -0.271 0.000 1.164 142 Y CA 1.550 59.505 58.100 -0.243 0.000 1.229 142 Y CB -0.917 37.453 38.460 -0.149 0.000 0.977 142 Y HN 0.641 nan 8.280 nan 0.000 0.538 143 W N 0.048 120.770 121.300 -0.963 0.000 2.770 143 W HA 0.100 4.757 4.660 -0.005 0.000 0.256 143 W C 1.255 177.722 176.519 -0.087 0.000 1.291 143 W CA 0.245 57.317 57.345 -0.454 0.000 1.396 143 W CB -0.881 28.300 29.460 -0.465 0.000 1.114 143 W HN 0.270 nan 8.180 nan 0.000 0.637 144 L N 2.520 123.220 121.223 -0.872 0.000 2.179 144 L HA -0.008 4.329 4.340 -0.004 0.000 0.208 144 L C 2.388 179.196 176.870 -0.104 0.000 1.096 144 L CA 2.296 56.714 54.840 -0.704 0.000 0.779 144 L CB -1.018 40.325 42.059 -1.193 0.000 0.922 144 L HN -0.187 nan 8.230 nan 0.000 0.443 145 T N 0.612 115.117 114.554 -0.081 0.000 2.592 145 T HA -0.243 4.104 4.350 -0.004 0.000 0.267 145 T C 1.564 176.430 174.700 0.277 0.000 1.060 145 T CA 2.299 64.467 62.100 0.114 0.000 1.167 145 T CB -0.394 68.547 68.868 0.120 0.000 0.863 145 T HN 0.360 nan 8.240 nan 0.000 0.431 146 N N -0.219 118.677 118.700 0.326 0.000 2.422 146 N HA 0.049 4.786 4.740 -0.004 0.000 0.181 146 N C 1.209 176.895 175.510 0.293 0.000 1.080 146 N CA 0.027 53.294 53.050 0.362 0.000 0.893 146 N CB -0.247 38.499 38.487 0.432 0.000 0.973 146 N HN 0.472 nan 8.380 nan 0.000 0.456 147 W N 2.088 123.521 121.300 0.221 0.000 2.304 147 W HA -0.190 4.469 4.660 -0.002 0.000 0.315 147 W C 1.156 177.771 176.519 0.159 0.000 1.233 147 W CA 1.361 58.860 57.345 0.256 0.000 1.261 147 W CB -0.195 29.492 29.460 0.377 0.000 1.150 147 W HN 0.098 nan 8.180 nan 0.000 0.494 148 I N -1.307 119.470 120.570 0.344 0.000 3.812 148 I HA 0.073 4.240 4.170 -0.004 0.000 0.320 148 I C 1.841 177.895 176.117 -0.104 0.000 1.276 148 I CA 0.678 62.083 61.300 0.175 0.000 1.164 148 I CB -0.625 37.480 38.000 0.175 0.000 1.009 148 I HN -0.024 nan 8.210 nan 0.000 0.431 149 E N 2.221 122.241 120.200 -0.299 0.000 2.065 149 E HA -0.253 4.094 4.350 -0.004 0.000 0.201 149 E C 1.792 178.170 176.600 -0.370 0.000 1.016 149 E CA 2.830 58.735 56.400 -0.825 0.000 0.818 149 E CB -0.091 29.190 29.700 -0.698 0.000 0.749 149 E HN 0.580 nan 8.360 nan 0.000 0.453 150 T N 1.163 115.626 114.554 -0.152 0.000 2.684 150 T HA -0.187 4.161 4.350 -0.004 0.000 0.267 150 T C 1.943 176.642 174.700 -0.002 0.000 1.036 150 T CA 1.426 63.505 62.100 -0.036 0.000 1.148 150 T CB -0.350 68.506 68.868 -0.020 0.000 0.863 150 T HN 0.254 nan 8.240 nan 0.000 0.436 151 I N 0.480 121.040 120.570 -0.018 0.000 2.226 151 I HA -0.069 4.099 4.170 -0.004 0.000 0.245 151 I C 1.962 178.071 176.117 -0.014 0.000 1.100 151 I CA 1.315 62.604 61.300 -0.018 0.000 1.374 151 I CB -0.087 37.907 38.000 -0.010 0.000 1.057 151 I HN 0.182 nan 8.210 nan 0.000 0.413 152 L N -0.913 120.290 121.223 -0.033 0.000 2.179 152 L HA -0.092 4.246 4.340 -0.004 0.000 0.208 152 L C 2.363 179.317 176.870 0.140 0.000 1.096 152 L CA 0.374 55.214 54.840 -0.001 0.000 0.779 152 L CB -0.441 41.650 42.059 0.054 0.000 0.922 152 L HN 0.062 nan 8.230 nan 0.000 0.443 153 V N -0.371 119.653 119.914 0.184 0.000 2.626 153 V HA -0.269 3.848 4.120 -0.004 0.000 0.252 153 V C 2.279 178.663 176.094 0.482 0.000 1.067 153 V CA 1.388 63.936 62.300 0.415 0.000 1.081 153 V CB -0.517 31.515 31.823 0.348 0.000 0.686 153 V HN 0.513 nan 8.190 nan 0.000 0.468 154 Q N 0.342 120.319 119.800 0.295 0.000 2.443 154 Q HA -0.175 4.162 4.340 -0.004 0.000 0.213 154 Q C 2.321 178.310 176.000 -0.019 0.000 0.982 154 Q CA 1.460 57.382 55.803 0.199 0.000 0.894 154 Q CB -0.264 28.529 28.738 0.092 0.000 0.947 154 Q HN 0.850 nan 8.270 nan 0.000 0.480 155 S N 0.543 116.257 115.700 0.023 0.000 2.442 155 S HA -0.166 4.301 4.470 -0.004 0.000 0.236 155 S C 1.598 176.195 174.600 -0.005 0.000 1.007 155 S CA 0.702 58.843 58.200 -0.098 0.000 0.965 155 S CB -0.833 62.253 63.200 -0.191 0.000 0.773 155 S HN 0.702 nan 8.310 nan 0.000 0.504 156 W N 1.027 122.463 121.300 0.227 0.000 2.308 156 W HA -0.292 4.367 4.660 -0.002 0.000 0.301 156 W C 1.839 178.485 176.519 0.211 0.000 1.220 156 W CA 1.051 58.587 57.345 0.318 0.000 1.240 156 W CB -1.260 28.397 29.460 0.328 0.000 1.142 156 W HN 0.386 nan 8.180 nan 0.000 0.521 157 Y N 4.120 123.692 120.300 -1.212 0.000 2.092 157 Y HA -0.118 4.430 4.550 -0.004 0.000 0.282 157 Y C -0.021 175.585 175.900 -0.491 0.000 1.126 157 Y CA 2.355 59.640 58.100 -1.359 0.000 1.111 157 Y CB -1.976 35.618 38.460 -1.443 0.000 0.987 157 Y HN -0.227 nan 8.280 nan 0.000 0.489 158 P HA -0.199 nan 4.420 nan 0.000 0.216 158 P C 1.807 179.015 177.300 -0.154 0.000 1.150 158 P CA 2.043 64.934 63.100 -0.348 0.000 0.837 158 P CB -0.191 31.337 31.700 -0.288 0.000 0.786 159 I N -0.280 120.228 120.570 -0.104 0.000 2.208 159 I HA -0.215 3.952 4.170 -0.004 0.000 0.245 159 I C 2.309 178.450 176.117 0.040 0.000 1.097 159 I CA 1.860 63.184 61.300 0.039 0.000 1.363 159 I CB -1.027 37.089 38.000 0.193 0.000 1.051 159 I HN 0.003 nan 8.210 nan 0.000 0.413 160 T N -0.045 114.518 114.554 0.016 0.000 2.851 160 T HA -0.059 4.288 4.350 -0.004 0.000 0.262 160 T C 2.014 176.685 174.700 -0.048 0.000 1.043 160 T CA 0.904 63.035 62.100 0.051 0.000 1.140 160 T CB -0.168 68.856 68.868 0.260 0.000 0.872 160 T HN 0.070 nan 8.240 nan 0.000 0.446 161 V N 2.060 121.843 119.914 -0.219 0.000 2.255 161 V HA -0.208 3.910 4.120 -0.004 0.000 0.247 161 V C 2.941 178.995 176.094 -0.066 0.000 1.051 161 V CA 1.910 64.086 62.300 -0.206 0.000 1.018 161 V CB -1.255 30.318 31.823 -0.417 0.000 0.641 161 V HN 0.529 nan 8.190 nan 0.000 0.445 162 A N -0.520 122.261 122.820 -0.065 0.000 1.902 162 A HA -0.218 4.099 4.320 -0.004 0.000 0.217 162 A C 2.391 179.983 177.584 0.013 0.000 1.181 162 A CA 2.514 54.525 52.037 -0.044 0.000 0.623 162 A CB -0.943 18.012 19.000 -0.075 0.000 0.818 162 A HN 0.518 nan 8.150 nan 0.000 0.443 163 T N 0.039 114.620 114.554 0.046 0.000 2.701 163 T HA -0.146 4.201 4.350 -0.004 0.000 0.263 163 T C 1.991 176.789 174.700 0.163 0.000 1.040 163 T CA 1.287 63.449 62.100 0.103 0.000 1.147 163 T CB -0.439 68.501 68.868 0.120 0.000 0.865 163 T HN 0.673 nan 8.240 nan 0.000 0.426 164 N N 0.532 119.325 118.700 0.156 0.000 2.166 164 N HA -0.134 4.604 4.740 -0.004 0.000 0.186 164 N C 2.151 177.770 175.510 0.183 0.000 1.019 164 N CA 1.446 54.636 53.050 0.233 0.000 0.856 164 N CB -0.148 38.431 38.487 0.152 0.000 0.993 164 N HN 0.282 nan 8.380 nan 0.000 0.426 165 S N 0.781 116.578 115.700 0.162 0.000 2.368 165 S HA -0.106 4.361 4.470 -0.004 0.000 0.225 165 S C 2.045 176.812 174.600 0.279 0.000 1.030 165 S CA 0.843 59.198 58.200 0.259 0.000 0.999 165 S CB -0.247 63.157 63.200 0.339 0.000 0.844 165 S HN 0.371 nan 8.310 nan 0.000 0.459 166 R N 0.344 120.928 120.500 0.139 0.000 2.092 166 R HA -0.011 4.326 4.340 -0.004 0.000 0.231 166 R C 2.059 178.401 176.300 0.070 0.000 1.119 166 R CA 1.377 57.506 56.100 0.048 0.000 0.970 166 R CB -0.158 30.135 30.300 -0.010 0.000 0.864 166 R HN 0.362 nan 8.270 nan 0.000 0.440 167 E N 0.651 120.913 120.200 0.104 0.000 2.153 167 E HA -0.209 4.138 4.350 -0.004 0.000 0.194 167 E C 1.902 178.538 176.600 0.060 0.000 0.988 167 E CA 1.210 57.647 56.400 0.062 0.000 0.811 167 E CB -0.014 29.716 29.700 0.049 0.000 0.746 167 E HN 0.532 nan 8.360 nan 0.000 0.466 168 Q N 0.280 120.148 119.800 0.113 0.000 2.123 168 Q HA -0.063 4.274 4.340 -0.004 0.000 0.199 168 Q C 2.170 178.279 176.000 0.182 0.000 0.966 168 Q CA 0.860 56.721 55.803 0.097 0.000 0.845 168 Q CB -0.020 28.757 28.738 0.066 0.000 0.907 168 Q HN 0.089 nan 8.270 nan 0.000 0.439 169 K N 1.221 121.791 120.400 0.282 0.000 2.097 169 K HA -0.177 4.140 4.320 -0.004 0.000 0.206 169 K C 1.757 178.397 176.600 0.067 0.000 1.049 169 K CA 1.155 57.563 56.287 0.202 0.000 0.933 169 K CB 0.153 32.538 32.500 -0.192 0.000 0.717 169 K HN 0.012 nan 8.250 nan 0.000 0.442 170 K N 0.347 120.771 120.400 0.039 0.000 2.057 170 K HA -0.097 4.221 4.320 -0.004 0.000 0.207 170 K C 2.082 178.713 176.600 0.051 0.000 1.049 170 K CA 1.484 57.782 56.287 0.018 0.000 0.931 170 K CB -0.089 32.413 32.500 0.003 0.000 0.714 170 K HN 0.138 nan 8.250 nan 0.000 0.440 171 I N 1.049 121.660 120.570 0.069 0.000 2.179 171 I HA -0.300 3.867 4.170 -0.004 0.000 0.242 171 I C 2.136 178.362 176.117 0.182 0.000 1.088 171 I CA 1.189 62.565 61.300 0.126 0.000 1.357 171 I CB -0.255 37.768 38.000 0.040 0.000 1.051 171 I HN 0.093 nan 8.210 nan 0.000 0.409 172 L N 0.511 121.807 121.223 0.122 0.000 2.012 172 L HA -0.257 4.081 4.340 -0.004 0.000 0.210 172 L C 2.842 179.801 176.870 0.149 0.000 1.073 172 L CA 1.559 56.490 54.840 0.151 0.000 0.748 172 L CB -0.800 41.374 42.059 0.192 0.000 0.891 172 L HN 0.274 nan 8.230 nan 0.000 0.431 173 A N 0.044 122.922 122.820 0.097 0.000 1.877 173 A HA -0.277 4.041 4.320 -0.004 0.000 0.216 173 A C 2.388 179.990 177.584 0.030 0.000 1.186 173 A CA 2.102 54.167 52.037 0.046 0.000 0.620 173 A CB -0.533 18.467 19.000 -0.001 0.000 0.822 173 A HN 0.379 nan 8.150 nan 0.000 0.443 174 K N -1.635 118.782 120.400 0.030 0.000 2.020 174 K HA -0.230 4.087 4.320 -0.004 0.000 0.212 174 K C 1.827 178.357 176.600 -0.116 0.000 1.050 174 K CA 2.201 58.453 56.287 -0.057 0.000 0.929 174 K CB -0.405 32.045 32.500 -0.083 0.000 0.714 174 K HN 0.524 nan 8.250 nan 0.000 0.443 175 Y N 0.082 120.368 120.300 -0.024 0.000 2.337 175 Y HA -0.093 4.455 4.550 -0.004 0.000 0.293 175 Y C 1.998 177.859 175.900 -0.065 0.000 1.123 175 Y CA 0.571 58.646 58.100 -0.042 0.000 1.201 175 Y CB -0.044 38.407 38.460 -0.015 0.000 1.011 175 Y HN 0.116 nan 8.280 nan 0.000 0.545 176 L N -0.367 120.922 121.223 0.109 0.000 2.027 176 L HA -0.161 4.176 4.340 -0.004 0.000 0.206 176 L C 2.178 179.040 176.870 -0.012 0.000 1.074 176 L CA 1.449 56.318 54.840 0.047 0.000 0.745 176 L CB -1.026 41.075 42.059 0.070 0.000 0.898 176 L HN 0.258 nan 8.230 nan 0.000 0.433 177 L N -0.378 120.832 121.223 -0.020 0.000 2.046 177 L HA -0.214 4.124 4.340 -0.004 0.000 0.208 177 L C 2.485 179.313 176.870 -0.071 0.000 1.077 177 L CA 1.968 56.783 54.840 -0.040 0.000 0.747 177 L CB -0.650 41.384 42.059 -0.041 0.000 0.896 177 L HN 0.471 nan 8.230 nan 0.000 0.432 178 E N -1.303 118.828 120.200 -0.115 0.000 2.106 178 E HA -0.207 4.140 4.350 -0.004 0.000 0.192 178 E C 1.787 178.255 176.600 -0.219 0.000 0.984 178 E CA 1.588 57.900 56.400 -0.146 0.000 0.806 178 E CB -0.006 29.567 29.700 -0.211 0.000 0.750 178 E HN 0.722 nan 8.360 nan 0.000 0.458 179 T N -2.553 111.805 114.554 -0.325 0.000 3.065 179 T HA 0.051 4.398 4.350 -0.004 0.000 0.252 179 T C 1.694 176.248 174.700 -0.243 0.000 1.099 179 T CA 0.768 62.463 62.100 -0.675 0.000 1.063 179 T CB 0.370 68.782 68.868 -0.761 0.000 0.948 179 T HN 0.128 nan 8.240 nan 0.000 0.506 180 S N -0.510 115.134 115.700 -0.094 0.000 2.691 180 S HA 0.514 4.982 4.470 -0.004 0.000 0.258 180 S C 1.851 176.453 174.600 0.003 0.000 1.078 180 S CA 0.597 58.789 58.200 -0.012 0.000 1.000 180 S CB -0.027 63.171 63.200 -0.004 0.000 0.942 180 S HN 1.204 nan 8.310 nan 0.000 0.521 181 G N 2.005 110.798 108.800 -0.011 0.000 2.176 181 G HA2 -0.235 3.722 3.960 -0.004 0.000 0.253 181 G HA3 -0.235 3.722 3.960 -0.004 0.000 0.253 181 G C -0.177 174.720 174.900 -0.005 0.000 0.979 181 G CA 0.463 45.561 45.100 -0.004 0.000 0.641 181 G HN 1.139 nan 8.290 nan 0.000 0.530 182 N N -2.369 116.327 118.700 -0.005 0.000 3.344 182 N HA 0.695 5.433 4.740 -0.004 0.000 0.296 182 N C -0.143 175.368 175.510 0.001 0.000 1.571 182 N CA -1.037 52.011 53.050 -0.003 0.000 0.844 182 N CB 0.237 38.725 38.487 0.001 0.000 1.718 182 N HN 0.043 nan 8.380 nan 0.000 0.589 183 L N -0.051 121.174 121.223 0.004 0.000 3.122 183 L HA 0.433 4.770 4.340 -0.004 0.000 0.274 183 L C -0.984 175.900 176.870 0.023 0.000 1.222 183 L CA -0.342 54.504 54.840 0.010 0.000 1.028 183 L CB -0.931 41.125 42.059 -0.005 0.000 1.386 183 L HN 0.566 nan 8.230 nan 0.000 0.578 184 D N 0.865 121.279 120.400 0.023 0.000 2.487 184 D HA 0.369 5.007 4.640 -0.004 0.000 0.243 184 D C 1.496 177.831 176.300 0.058 0.000 1.154 184 D CA 1.360 55.379 54.000 0.031 0.000 0.876 184 D CB 0.709 41.520 40.800 0.019 0.000 1.161 184 D HN 0.353 nan 8.370 nan 0.000 0.478 185 G N 1.795 110.650 108.800 0.092 0.000 2.162 185 G HA2 -0.352 3.605 3.960 -0.004 0.000 0.260 185 G HA3 -0.352 3.605 3.960 -0.004 0.000 0.260 185 G C 1.036 176.056 174.900 0.200 0.000 0.976 185 G CA 0.507 45.706 45.100 0.164 0.000 0.655 185 G HN 0.522 nan 8.290 nan 0.000 0.533 186 L N 0.741 122.043 121.223 0.131 0.000 2.081 186 L HA 0.047 4.385 4.340 -0.004 0.000 0.212 186 L C 2.273 179.244 176.870 0.169 0.000 1.080 186 L CA 2.985 57.904 54.840 0.132 0.000 0.754 186 L CB -0.342 41.742 42.059 0.041 0.000 0.893 186 L HN 0.489 nan 8.230 nan 0.000 0.433 187 E N -1.790 118.446 120.200 0.059 0.000 2.418 187 E HA -0.158 4.189 4.350 -0.004 0.000 0.197 187 E C 0.815 177.363 176.600 -0.085 0.000 1.026 187 E CA 0.667 57.006 56.400 -0.101 0.000 0.862 187 E CB -0.003 29.537 29.700 -0.267 0.000 0.799 187 E HN 0.646 nan 8.360 nan 0.000 0.518 188 Y N -0.510 119.923 120.300 0.222 0.000 2.507 188 Y HA 0.157 4.704 4.550 -0.004 0.000 0.254 188 Y C 1.602 177.607 175.900 0.175 0.000 1.171 188 Y CA -0.217 57.999 58.100 0.193 0.000 1.238 188 Y CB 0.647 39.177 38.460 0.117 0.000 1.148 188 Y HN -0.196 nan 8.280 nan 0.000 0.525 189 K N 0.299 120.895 120.400 0.326 0.000 2.418 189 K HA 0.106 4.423 4.320 -0.004 0.000 0.195 189 K C -0.289 176.374 176.600 0.104 0.000 1.035 189 K CA 0.423 56.850 56.287 0.233 0.000 1.003 189 K CB 0.331 33.008 32.500 0.295 0.000 0.793 189 K HN 0.158 nan 8.250 nan 0.000 0.494 190 L N 0.369 121.484 121.223 -0.180 0.000 2.446 190 L HA 0.295 4.633 4.340 -0.004 0.000 0.268 190 L C -1.463 175.235 176.870 -0.287 0.000 0.975 190 L CA -0.664 53.940 54.840 -0.392 0.000 0.848 190 L CB 1.458 42.959 42.059 -0.929 0.000 1.225 190 L HN 0.008 nan 8.230 nan 0.000 0.410 191 H N 2.522 121.425 119.070 -0.278 0.000 2.457 191 H HA 0.399 4.952 4.556 -0.005 0.000 0.335 191 H C -0.906 174.248 175.328 -0.290 0.000 1.115 191 H CA -0.543 55.403 56.048 -0.169 0.000 1.219 191 H CB 1.351 31.012 29.762 -0.169 0.000 1.471 191 H HN 0.667 nan 8.280 nan 0.000 0.491 192 D N 4.594 124.941 120.400 -0.088 0.000 2.338 192 D HA -0.030 4.607 4.640 -0.004 0.000 0.255 192 D C -0.240 176.289 176.300 0.380 0.000 1.237 192 D CA 0.266 54.223 54.000 -0.071 0.000 0.883 192 D CB -0.056 40.671 40.800 -0.122 0.000 1.087 192 D HN 0.601 nan 8.370 nan 0.000 0.485 193 F N 1.535 121.515 119.950 0.049 0.000 2.639 193 F HA 0.217 4.741 4.527 -0.005 0.000 0.302 193 F C 2.063 177.903 175.800 0.066 0.000 1.097 193 F CA -0.650 57.396 58.000 0.076 0.000 1.294 193 F CB 1.117 40.145 39.000 0.047 0.000 1.027 193 F HN 0.495 nan 8.300 nan 0.000 0.550 194 G N -0.871 108.056 108.800 0.212 0.000 2.985 194 G HA2 -0.189 3.769 3.960 -0.004 0.000 0.209 194 G HA3 -0.189 3.769 3.960 -0.004 0.000 0.209 194 G C 1.117 176.131 174.900 0.190 0.000 1.165 194 G CA -0.002 45.190 45.100 0.153 0.000 0.776 194 G HN 0.256 nan 8.290 nan 0.000 0.541 195 Y N 2.678 123.015 120.300 0.063 0.000 2.081 195 Y HA -0.251 4.296 4.550 -0.005 0.000 0.280 195 Y C 2.838 178.756 175.900 0.029 0.000 1.163 195 Y CA 1.844 59.968 58.100 0.040 0.000 1.135 195 Y CB -0.171 38.307 38.460 0.031 0.000 0.970 195 Y HN 0.417 nan 8.280 nan 0.000 0.498 196 R N -1.008 119.601 120.500 0.181 0.000 2.193 196 R HA 0.051 4.388 4.340 -0.004 0.000 0.213 196 R C 2.061 178.406 176.300 0.076 0.000 1.055 196 R CA 1.310 57.446 56.100 0.060 0.000 0.995 196 R CB -0.940 29.365 30.300 0.009 0.000 0.893 196 R HN 0.321 nan 8.270 nan 0.000 0.459 197 G N 1.872 110.734 108.800 0.103 0.000 3.042 197 G HA2 0.161 4.119 3.960 -0.004 0.000 0.212 197 G HA3 0.161 4.119 3.960 -0.004 0.000 0.212 197 G C 0.641 175.591 174.900 0.084 0.000 1.166 197 G CA 0.264 45.415 45.100 0.084 0.000 0.767 197 G HN 0.213 nan 8.290 nan 0.000 0.546 198 V N -1.564 118.410 119.914 0.100 0.000 3.262 198 V HA 0.597 4.714 4.120 -0.004 0.000 0.313 198 V C 1.372 177.496 176.094 0.051 0.000 1.070 198 V CA 0.276 62.620 62.300 0.074 0.000 1.049 198 V CB 1.294 33.164 31.823 0.080 0.000 1.157 198 V HN 0.120 nan 8.190 nan 0.000 0.454 199 S N -0.494 115.215 115.700 0.014 0.000 2.528 199 S HA 0.277 4.745 4.470 -0.004 0.000 0.219 199 S C 0.688 175.295 174.600 0.012 0.000 0.985 199 S CA 0.332 58.535 58.200 0.006 0.000 0.914 199 S CB -0.691 62.499 63.200 -0.016 0.000 0.776 199 S HN 1.814 nan 8.310 nan 0.000 0.526 200 S N -0.958 114.757 115.700 0.025 0.000 2.615 200 S HA 0.371 4.838 4.470 -0.004 0.000 0.268 200 S C -0.021 174.632 174.600 0.088 0.000 1.146 200 S CA -0.858 57.368 58.200 0.044 0.000 0.818 200 S CB 0.830 64.045 63.200 0.026 0.000 1.111 200 S HN -0.094 nan 8.310 nan 0.000 0.465 201 Q N 1.115 120.981 119.800 0.110 0.000 2.050 201 Q HA -0.140 4.198 4.340 -0.004 0.000 0.202 201 Q C 1.836 177.895 176.000 0.099 0.000 0.980 201 Q CA 2.211 58.111 55.803 0.163 0.000 0.840 201 Q CB -0.548 28.274 28.738 0.140 0.000 0.898 201 Q HN 0.925 nan 8.270 nan 0.000 0.424 202 E N -0.024 120.219 120.200 0.072 0.000 2.051 202 E HA -0.156 4.191 4.350 -0.004 0.000 0.192 202 E C 1.809 178.407 176.600 -0.002 0.000 0.991 202 E CA 1.583 58.016 56.400 0.055 0.000 0.799 202 E CB 0.162 29.921 29.700 0.097 0.000 0.748 202 E HN 0.260 nan 8.360 nan 0.000 0.449 203 T N 0.741 115.280 114.554 -0.025 0.000 2.699 203 T HA -0.227 4.120 4.350 -0.004 0.000 0.268 203 T C 1.801 176.505 174.700 0.006 0.000 1.036 203 T CA 1.468 63.521 62.100 -0.078 0.000 1.147 203 T CB -0.390 68.364 68.868 -0.190 0.000 0.862 203 T HN 0.375 nan 8.240 nan 0.000 0.446 204 A N 1.332 124.154 122.820 0.004 0.000 1.865 204 A HA 0.032 4.349 4.320 -0.004 0.000 0.217 204 A C 2.645 180.141 177.584 -0.148 0.000 1.191 204 A CA 2.085 54.080 52.037 -0.070 0.000 0.623 204 A CB -1.448 17.471 19.000 -0.135 0.000 0.826 204 A HN 0.527 nan 8.150 nan 0.000 0.444 205 G N -0.143 108.575 108.800 -0.136 0.000 2.421 205 G HA2 -0.185 3.772 3.960 -0.004 0.000 0.216 205 G HA3 -0.185 3.772 3.960 -0.004 0.000 0.216 205 G C 1.545 176.355 174.900 -0.150 0.000 1.171 205 G CA 1.163 46.174 45.100 -0.149 0.000 0.775 205 G HN 0.485 nan 8.290 nan 0.000 0.543 206 I N 1.232 121.705 120.570 -0.162 0.000 2.142 206 I HA -0.087 4.081 4.170 -0.004 0.000 0.240 206 I C 3.112 179.197 176.117 -0.052 0.000 1.078 206 I CA 1.192 62.376 61.300 -0.192 0.000 1.343 206 I CB -0.553 37.336 38.000 -0.185 0.000 1.046 206 I HN 0.240 nan 8.210 nan 0.000 0.405 207 G N 0.328 109.171 108.800 0.072 0.000 2.421 207 G HA2 -0.229 3.728 3.960 -0.004 0.000 0.216 207 G HA3 -0.229 3.728 3.960 -0.004 0.000 0.216 207 G C 1.859 176.732 174.900 -0.044 0.000 1.171 207 G CA 0.822 45.905 45.100 -0.029 0.000 0.775 207 G HN 0.494 nan 8.290 nan 0.000 0.543 208 A N 1.224 124.015 122.820 -0.047 0.000 1.933 208 A HA -0.042 4.275 4.320 -0.004 0.000 0.218 208 A C 2.741 180.307 177.584 -0.030 0.000 1.175 208 A CA 2.613 54.620 52.037 -0.050 0.000 0.628 208 A CB -0.729 18.193 19.000 -0.130 0.000 0.814 208 A HN 0.777 nan 8.150 nan 0.000 0.444 209 S N 0.064 115.730 115.700 -0.057 0.000 2.383 209 S HA 0.065 4.532 4.470 -0.004 0.000 0.227 209 S C 2.063 176.649 174.600 -0.022 0.000 1.026 209 S CA 1.292 59.456 58.200 -0.059 0.000 0.981 209 S CB -0.585 62.610 63.200 -0.009 0.000 0.818 209 S HN 0.868 nan 8.310 nan 0.000 0.472 210 A N 1.591 124.410 122.820 -0.002 0.000 1.898 210 A HA -0.060 4.257 4.320 -0.004 0.000 0.216 210 A C 2.101 179.620 177.584 -0.110 0.000 1.181 210 A CA 1.755 53.711 52.037 -0.134 0.000 0.620 210 A CB -1.356 17.615 19.000 -0.048 0.000 0.819 210 A HN 0.757 nan 8.150 nan 0.000 0.442 211 H N 0.145 119.152 119.070 -0.105 0.000 2.353 211 H HA 0.014 4.567 4.556 -0.004 0.000 0.300 211 H C 1.553 176.889 175.328 0.012 0.000 1.090 211 H CA 1.806 57.834 56.048 -0.034 0.000 1.327 211 H CB -0.357 29.380 29.762 -0.043 0.000 1.383 211 H HN 0.346 nan 8.280 nan 0.000 0.508 212 L N -0.135 121.057 121.223 -0.052 0.000 2.450 212 L HA -0.104 4.233 4.340 -0.004 0.000 0.224 212 L C 2.161 179.027 176.870 -0.007 0.000 1.149 212 L CA 0.269 55.081 54.840 -0.046 0.000 0.816 212 L CB -0.174 41.897 42.059 0.020 0.000 0.932 212 L HN 0.225 nan 8.230 nan 0.000 0.449 213 V N 0.142 119.937 119.914 -0.200 0.000 2.490 213 V HA -0.251 3.867 4.120 -0.004 0.000 0.250 213 V C 1.876 177.715 176.094 -0.425 0.000 1.061 213 V CA 1.740 63.716 62.300 -0.541 0.000 1.064 213 V CB -0.446 30.978 31.823 -0.665 0.000 0.670 213 V HN 0.611 nan 8.190 nan 0.000 0.461 214 N N -2.097 116.387 118.700 -0.360 0.000 2.407 214 N HA 0.197 4.935 4.740 -0.004 0.000 0.182 214 N C 0.117 175.186 175.510 -0.736 0.000 1.079 214 N CA 0.367 53.121 53.050 -0.494 0.000 0.882 214 N CB 0.811 39.052 38.487 -0.411 0.000 1.106 214 N HN 0.406 nan 8.380 nan 0.000 0.461 215 F N 0.073 119.757 119.950 -0.443 0.000 2.640 215 F HA 0.422 4.946 4.527 -0.004 0.000 0.324 215 F C 1.149 176.692 175.800 -0.429 0.000 1.077 215 F CA -0.807 56.912 58.000 -0.468 0.000 0.965 215 F CB 2.075 40.695 39.000 -0.633 0.000 1.351 215 F HN -0.426 nan 8.300 nan 0.000 0.487 216 K N 0.139 120.382 120.400 -0.261 0.000 2.402 216 K HA 0.252 4.569 4.320 -0.004 0.000 0.203 216 K C 0.321 176.831 176.600 -0.151 0.000 1.077 216 K CA -0.023 56.101 56.287 -0.272 0.000 1.051 216 K CB 1.296 33.533 32.500 -0.438 0.000 0.907 216 K HN 0.679 nan 8.250 nan 0.000 0.554 217 G N 1.008 109.710 108.800 -0.164 0.000 2.319 217 G HA2 0.327 4.284 3.960 -0.004 0.000 0.308 217 G HA3 0.327 4.284 3.960 -0.004 0.000 0.308 217 G C -0.904 173.640 174.900 -0.592 0.000 1.117 217 G CA 0.056 45.040 45.100 -0.194 0.000 0.903 217 G HN -0.086 nan 8.290 nan 0.000 0.436 218 T N 0.980 115.171 114.554 -0.605 0.000 3.041 218 T HA 0.350 4.697 4.350 -0.004 0.000 0.321 218 T C -0.632 174.093 174.700 0.041 0.000 1.184 218 T CA -0.523 61.390 62.100 -0.312 0.000 1.050 218 T CB 1.828 70.644 68.868 -0.086 0.000 1.159 218 T HN 0.281 nan 8.240 nan 0.000 0.469 219 D N 1.623 122.184 120.400 0.268 0.000 2.369 219 D HA 0.214 4.852 4.640 -0.004 0.000 0.211 219 D C 0.279 176.686 176.300 0.178 0.000 1.077 219 D CA 0.305 54.477 54.000 0.287 0.000 0.842 219 D CB 0.630 41.621 40.800 0.318 0.000 0.947 219 D HN 0.443 nan 8.370 nan 0.000 0.509 220 T N 0.816 115.402 114.554 0.054 0.000 3.151 220 T HA 0.113 4.460 4.350 -0.004 0.000 0.332 220 T C 1.702 176.256 174.700 -0.242 0.000 1.245 220 T CA -0.221 61.772 62.100 -0.178 0.000 1.019 220 T CB 1.037 69.749 68.868 -0.260 0.000 1.109 220 T HN -0.182 nan 8.240 nan 0.000 0.621 221 V N 2.226 122.085 119.914 -0.091 0.000 2.380 221 V HA -0.281 3.837 4.120 -0.004 0.000 0.251 221 V C 2.805 178.832 176.094 -0.112 0.000 1.063 221 V CA 2.221 64.503 62.300 -0.030 0.000 1.055 221 V CB -1.042 30.852 31.823 0.117 0.000 0.657 221 V HN 0.907 nan 8.190 nan 0.000 0.455 222 A N 0.665 123.330 122.820 -0.258 0.000 2.042 222 A HA -0.194 4.124 4.320 -0.004 0.000 0.222 222 A C 2.396 179.883 177.584 -0.163 0.000 1.167 222 A CA 2.046 53.963 52.037 -0.199 0.000 0.649 222 A CB -1.143 17.671 19.000 -0.310 0.000 0.809 222 A HN 0.581 nan 8.150 nan 0.000 0.457 223 G N -0.456 108.224 108.800 -0.199 0.000 2.422 223 G HA2 -0.101 3.856 3.960 -0.004 0.000 0.218 223 G HA3 -0.101 3.856 3.960 -0.004 0.000 0.218 223 G C 1.499 176.302 174.900 -0.162 0.000 1.140 223 G CA 0.953 45.953 45.100 -0.166 0.000 0.775 223 G HN 0.472 nan 8.290 nan 0.000 0.545 224 L N 0.476 121.611 121.223 -0.146 0.000 2.027 224 L HA 0.002 4.339 4.340 -0.004 0.000 0.206 224 L C 3.360 180.162 176.870 -0.114 0.000 1.074 224 L CA 1.108 55.856 54.840 -0.152 0.000 0.745 224 L CB -0.416 41.567 42.059 -0.127 0.000 0.898 224 L HN 0.281 nan 8.230 nan 0.000 0.433 225 A N -0.218 122.562 122.820 -0.067 0.000 1.969 225 A HA -0.158 4.160 4.320 -0.004 0.000 0.218 225 A C 2.279 179.861 177.584 -0.004 0.000 1.169 225 A CA 1.161 53.175 52.037 -0.038 0.000 0.635 225 A CB -0.593 18.398 19.000 -0.014 0.000 0.810 225 A HN 0.382 nan 8.150 nan 0.000 0.445 226 L N -0.366 120.874 121.223 0.028 0.000 1.994 226 L HA -0.157 4.180 4.340 -0.004 0.000 0.208 226 L C 2.360 179.346 176.870 0.193 0.000 1.071 226 L CA 1.708 56.649 54.840 0.169 0.000 0.745 226 L CB -0.260 41.837 42.059 0.063 0.000 0.892 226 L HN 0.421 nan 8.230 nan 0.000 0.431 227 I N -0.133 120.437 120.570 0.001 0.000 2.163 227 I HA -0.352 3.815 4.170 -0.004 0.000 0.243 227 I C 2.640 178.758 176.117 0.002 0.000 1.085 227 I CA 1.631 62.886 61.300 -0.075 0.000 1.347 227 I CB -0.418 37.242 38.000 -0.567 0.000 1.044 227 I HN 0.302 nan 8.210 nan 0.000 0.408 228 K N 1.495 121.860 120.400 -0.058 0.000 2.032 228 K HA -0.283 4.034 4.320 -0.004 0.000 0.209 228 K C 2.249 178.804 176.600 -0.075 0.000 1.048 228 K CA 1.955 58.209 56.287 -0.055 0.000 0.927 228 K CB -0.090 32.368 32.500 -0.069 0.000 0.712 228 K HN 0.137 nan 8.250 nan 0.000 0.441 229 K N -0.863 119.456 120.400 -0.136 0.000 2.097 229 K HA -0.144 4.173 4.320 -0.004 0.000 0.205 229 K C 1.393 177.717 176.600 -0.460 0.000 1.050 229 K CA 1.487 57.559 56.287 -0.357 0.000 0.938 229 K CB 0.005 32.159 32.500 -0.576 0.000 0.718 229 K HN 0.244 nan 8.250 nan 0.000 0.442 230 Y N -2.235 118.021 120.300 -0.073 0.000 2.462 230 Y HA 0.129 4.677 4.550 -0.004 0.000 0.253 230 Y C 0.817 176.456 175.900 -0.435 0.000 1.095 230 Y CA -0.079 57.874 58.100 -0.244 0.000 1.283 230 Y CB 0.696 39.021 38.460 -0.225 0.000 1.138 230 Y HN 0.016 nan 8.280 nan 0.000 0.522 231 Y N -1.037 119.373 120.300 0.184 0.000 2.846 231 Y HA 0.503 5.050 4.550 -0.005 0.000 0.258 231 Y C 1.172 177.164 175.900 0.155 0.000 1.077 231 Y CA 0.196 58.426 58.100 0.217 0.000 1.270 231 Y CB 0.547 39.226 38.460 0.366 0.000 1.476 231 Y HN -0.153 nan 8.280 nan 0.000 0.460 232 G N 1.099 110.050 108.800 0.251 0.000 2.785 232 G HA2 0.121 4.078 3.960 -0.004 0.000 0.686 232 G HA3 0.121 4.078 3.960 -0.004 0.000 0.686 232 G C -0.547 174.463 174.900 0.183 0.000 1.155 232 G CA -0.385 44.801 45.100 0.144 0.000 0.760 232 G HN 0.459 nan 8.290 nan 0.000 0.624 233 T N -0.718 113.904 114.554 0.114 0.000 2.906 233 T HA 0.689 5.037 4.350 -0.004 0.000 0.295 233 T C 1.211 175.962 174.700 0.085 0.000 1.061 233 T CA 0.044 62.220 62.100 0.127 0.000 1.000 233 T CB 2.335 71.272 68.868 0.115 0.000 1.103 233 T HN 0.865 nan 8.240 nan 0.000 0.486 234 K N 0.809 121.261 120.400 0.086 0.000 2.059 234 K HA -0.135 4.183 4.320 -0.004 0.000 0.212 234 K C 0.252 176.891 176.600 0.065 0.000 1.050 234 K CA 1.545 57.873 56.287 0.068 0.000 0.927 234 K CB -0.197 32.343 32.500 0.067 0.000 0.714 234 K HN 0.693 nan 8.250 nan 0.000 0.447 235 D N 0.012 120.460 120.400 0.080 0.000 2.362 235 D HA 0.008 4.645 4.640 -0.004 0.000 0.242 235 D C -1.705 174.630 176.300 0.059 0.000 1.132 235 D CA -1.266 52.787 54.000 0.089 0.000 0.907 235 D CB 0.951 41.832 40.800 0.135 0.000 1.195 235 D HN 0.038 nan 8.370 nan 0.000 0.429 236 P HA -0.124 nan 4.420 nan 0.000 0.215 236 P C 0.291 177.582 177.300 -0.014 0.000 1.153 236 P CA 1.116 64.234 63.100 0.030 0.000 0.853 236 P CB 0.255 31.985 31.700 0.050 0.000 0.788 237 V N -6.219 113.667 119.914 -0.047 0.000 2.876 237 V HA 0.512 4.630 4.120 -0.004 0.000 0.312 237 V C -2.230 173.718 176.094 -0.243 0.000 1.085 237 V CA -2.066 60.131 62.300 -0.172 0.000 0.945 237 V CB 1.945 33.612 31.823 -0.261 0.000 1.017 237 V HN -0.207 nan 8.190 nan 0.000 0.428 238 P HA 0.293 nan 4.420 nan 0.000 0.240 238 P C 0.561 177.706 177.300 -0.259 0.000 1.190 238 P CA 0.925 63.916 63.100 -0.181 0.000 0.781 238 P CB 0.619 32.173 31.700 -0.244 0.000 0.931 239 G N -1.220 107.288 108.800 -0.486 0.000 2.690 239 G HA2 0.599 4.556 3.960 -0.004 0.000 0.291 239 G HA3 0.599 4.556 3.960 -0.004 0.000 0.291 239 G C -2.163 172.347 174.900 -0.650 0.000 1.403 239 G CA -0.462 44.378 45.100 -0.434 0.000 0.864 239 G HN -0.103 nan 8.290 nan 0.000 0.480 240 Y N -0.663 119.688 120.300 0.086 0.000 2.553 240 Y HA 0.786 5.333 4.550 -0.004 0.000 0.347 240 Y C 0.470 176.477 175.900 0.179 0.000 1.019 240 Y CA -0.716 57.474 58.100 0.150 0.000 1.032 240 Y CB 2.787 41.398 38.460 0.251 0.000 1.284 240 Y HN 0.700 nan 8.280 nan 0.000 0.466 241 S N 0.546 116.444 115.700 0.330 0.000 2.732 241 S HA 0.880 5.347 4.470 -0.004 0.000 0.293 241 S C -1.529 173.191 174.600 0.200 0.000 1.159 241 S CA -0.538 57.857 58.200 0.326 0.000 0.847 241 S CB 1.368 64.725 63.200 0.261 0.000 1.169 241 S HN 0.803 nan 8.310 nan 0.000 0.501 242 V N 0.072 120.056 119.914 0.117 0.000 3.040 242 V HA 0.804 4.921 4.120 -0.004 0.000 0.312 242 V C -2.977 173.044 176.094 -0.121 0.000 1.115 242 V CA -2.414 59.879 62.300 -0.011 0.000 0.998 242 V CB 0.587 32.385 31.823 -0.040 0.000 1.042 242 V HN 0.717 nan 8.190 nan 0.000 0.433 243 P HA 0.566 nan 4.420 nan 0.000 0.266 243 P C -0.562 176.497 177.300 -0.402 0.000 1.195 243 P CA 0.469 63.259 63.100 -0.517 0.000 0.768 243 P CB 0.707 31.701 31.700 -1.177 0.000 0.838 244 A N 1.749 124.367 122.820 -0.337 0.000 2.566 244 A HA 0.686 5.004 4.320 -0.004 0.000 0.297 244 A C -0.879 176.603 177.584 -0.171 0.000 1.059 244 A CA -0.496 51.403 52.037 -0.232 0.000 0.691 244 A CB 1.227 20.103 19.000 -0.206 0.000 1.282 244 A HN 0.541 nan 8.150 nan 0.000 0.401 245 A N 1.124 123.871 122.820 -0.122 0.000 2.304 245 A HA 0.692 5.010 4.320 -0.004 0.000 0.271 245 A C 0.257 177.765 177.584 -0.126 0.000 1.091 245 A CA 0.274 52.274 52.037 -0.061 0.000 0.812 245 A CB 0.182 19.180 19.000 -0.003 0.000 1.056 245 A HN 1.080 nan 8.150 nan 0.000 0.489 246 E N -0.231 119.911 120.200 -0.096 0.000 2.370 246 E HA 0.457 4.804 4.350 -0.004 0.000 0.259 246 E C -0.083 176.427 176.600 -0.150 0.000 0.947 246 E CA -0.703 55.603 56.400 -0.158 0.000 0.809 246 E CB 0.490 30.142 29.700 -0.080 0.000 1.300 246 E HN 0.645 nan 8.360 nan 0.000 0.419 247 H N 0.087 119.153 119.070 -0.007 0.000 2.352 247 H HA -0.165 4.389 4.556 -0.004 0.000 0.299 247 H C 2.289 177.641 175.328 0.039 0.000 1.097 247 H CA 2.736 58.783 56.048 -0.001 0.000 1.311 247 H CB 0.033 29.774 29.762 -0.035 0.000 1.377 247 H HN 0.622 nan 8.280 nan 0.000 0.504 248 S N 0.028 115.815 115.700 0.144 0.000 2.400 248 S HA -0.214 4.254 4.470 -0.004 0.000 0.232 248 S C 2.221 176.912 174.600 0.151 0.000 1.025 248 S CA 1.598 59.871 58.200 0.121 0.000 0.993 248 S CB -0.779 62.467 63.200 0.078 0.000 0.808 248 S HN 0.648 nan 8.310 nan 0.000 0.478 249 T N -0.701 113.947 114.554 0.157 0.000 3.055 249 T HA 0.202 4.549 4.350 -0.004 0.000 0.265 249 T C 1.651 176.573 174.700 0.370 0.000 1.111 249 T CA 0.422 62.670 62.100 0.246 0.000 1.118 249 T CB -0.339 68.662 68.868 0.221 0.000 0.909 249 T HN 0.325 nan 8.240 nan 0.000 0.501 250 I N 2.885 123.618 120.570 0.271 0.000 2.385 250 I HA 0.022 4.189 4.170 -0.004 0.000 0.244 250 I C 2.965 179.292 176.117 0.349 0.000 1.089 250 I CA 1.639 63.103 61.300 0.274 0.000 1.410 250 I CB -1.781 36.332 38.000 0.189 0.000 1.117 250 I HN 0.477 nan 8.210 nan 0.000 0.429 251 T N -0.094 114.621 114.554 0.269 0.000 2.915 251 T HA 0.018 4.366 4.350 -0.004 0.000 0.269 251 T C 1.979 176.842 174.700 0.271 0.000 1.071 251 T CA 0.972 63.240 62.100 0.281 0.000 1.132 251 T CB -0.468 68.511 68.868 0.186 0.000 0.878 251 T HN 0.232 nan 8.240 nan 0.000 0.479 252 A N 0.562 123.524 122.820 0.236 0.000 2.076 252 A HA 0.015 4.332 4.320 -0.004 0.000 0.220 252 A C 1.880 179.489 177.584 0.041 0.000 1.160 252 A CA 1.042 53.137 52.037 0.097 0.000 0.653 252 A CB -1.239 17.762 19.000 0.001 0.000 0.801 252 A HN 0.759 nan 8.150 nan 0.000 0.455 253 W N -0.730 120.604 121.300 0.056 0.000 2.595 253 W HA 0.356 5.014 4.660 -0.005 0.000 0.257 253 W C 1.310 177.890 176.519 0.102 0.000 1.267 253 W CA 1.290 58.658 57.345 0.039 0.000 1.300 253 W CB -0.323 29.168 29.460 0.052 0.000 1.120 253 W HN 0.660 nan 8.180 nan 0.000 0.618 254 G N 0.335 109.328 108.800 0.320 0.000 2.788 254 G HA2 -0.232 3.726 3.960 -0.004 0.000 0.686 254 G HA3 -0.232 3.726 3.960 -0.004 0.000 0.686 254 G C 0.700 175.684 174.900 0.141 0.000 1.147 254 G CA -0.378 44.867 45.100 0.242 0.000 0.755 254 G HN 0.238 nan 8.290 nan 0.000 0.634 255 K N 0.260 120.632 120.400 -0.046 0.000 2.127 255 K HA -0.171 4.146 4.320 -0.004 0.000 0.208 255 K C 1.105 177.417 176.600 -0.480 0.000 1.047 255 K CA 1.986 57.991 56.287 -0.469 0.000 0.927 255 K CB -0.007 32.193 32.500 -0.500 0.000 0.716 255 K HN 0.366 nan 8.250 nan 0.000 0.450 256 D N 0.309 120.486 120.400 -0.372 0.000 2.349 256 D HA -0.027 4.611 4.640 -0.004 0.000 0.224 256 D C 0.572 176.445 176.300 -0.711 0.000 1.029 256 D CA 0.661 54.345 54.000 -0.526 0.000 0.879 256 D CB 0.092 40.571 40.800 -0.535 0.000 0.906 256 D HN 0.416 nan 8.370 nan 0.000 0.528 257 H N -0.340 118.685 119.070 -0.074 0.000 2.475 257 H HA 0.157 4.711 4.556 -0.005 0.000 0.276 257 H C 1.285 176.526 175.328 -0.145 0.000 1.126 257 H CA -0.137 55.886 56.048 -0.042 0.000 1.023 257 H CB 0.555 30.391 29.762 0.123 0.000 1.669 257 H HN 0.270 nan 8.280 nan 0.000 0.573 258 E N 1.911 121.998 120.200 -0.187 0.000 2.085 258 E HA -0.186 4.161 4.350 -0.004 0.000 0.194 258 E C 2.096 178.207 176.600 -0.814 0.000 0.994 258 E CA 0.989 57.135 56.400 -0.423 0.000 0.801 258 E CB 0.321 29.799 29.700 -0.372 0.000 0.743 258 E HN 0.287 nan 8.360 nan 0.000 0.453 259 K N 0.317 120.356 120.400 -0.601 0.000 2.032 259 K HA -0.205 4.112 4.320 -0.004 0.000 0.209 259 K C 1.681 178.062 176.600 -0.364 0.000 1.048 259 K CA 1.924 57.910 56.287 -0.501 0.000 0.927 259 K CB -0.029 32.303 32.500 -0.279 0.000 0.712 259 K HN 0.117 nan 8.250 nan 0.000 0.441 260 D N 0.369 120.598 120.400 -0.285 0.000 2.123 260 D HA -0.177 4.460 4.640 -0.004 0.000 0.196 260 D C 1.785 177.592 176.300 -0.821 0.000 0.992 260 D CA 1.393 55.197 54.000 -0.327 0.000 0.833 260 D CB -0.270 40.486 40.800 -0.073 0.000 0.954 260 D HN 0.373 nan 8.370 nan 0.000 0.455 261 A N 0.927 123.076 122.820 -1.118 0.000 1.858 261 A HA -0.187 4.130 4.320 -0.004 0.000 0.216 261 A C 2.078 179.424 177.584 -0.397 0.000 1.190 261 A CA 1.075 52.278 52.037 -1.390 0.000 0.617 261 A CB -0.922 17.515 19.000 -0.938 0.000 0.827 261 A HN 0.080 nan 8.150 nan 0.000 0.443 262 F N 0.009 119.712 119.950 -0.412 0.000 2.095 262 F HA -0.148 4.376 4.527 -0.005 0.000 0.298 262 F C 2.372 178.117 175.800 -0.093 0.000 1.104 262 F CA 1.294 59.149 58.000 -0.243 0.000 1.232 262 F CB -1.238 37.368 39.000 -0.657 0.000 0.987 262 F HN 0.493 nan 8.300 nan 0.000 0.475 263 E N -0.791 119.434 120.200 0.041 0.000 2.058 263 E HA -0.307 4.040 4.350 -0.004 0.000 0.194 263 E C 2.224 178.866 176.600 0.070 0.000 0.997 263 E CA 1.659 58.091 56.400 0.053 0.000 0.801 263 E CB -0.294 29.412 29.700 0.010 0.000 0.746 263 E HN 0.477 nan 8.360 nan 0.000 0.450 264 H N -0.035 118.982 119.070 -0.088 0.000 2.321 264 H HA -0.095 4.458 4.556 -0.004 0.000 0.300 264 H C 1.946 177.315 175.328 0.068 0.000 1.087 264 H CA 2.300 58.346 56.048 -0.004 0.000 1.319 264 H CB -0.106 29.646 29.762 -0.016 0.000 1.379 264 H HN 0.196 nan 8.280 nan 0.000 0.501 265 I N -0.004 120.670 120.570 0.174 0.000 2.202 265 I HA -0.225 3.942 4.170 -0.004 0.000 0.242 265 I C 2.524 178.763 176.117 0.203 0.000 1.091 265 I CA 1.324 62.762 61.300 0.230 0.000 1.368 265 I CB -0.316 37.858 38.000 0.290 0.000 1.058 265 I HN 0.314 nan 8.210 nan 0.000 0.410 266 V N -2.478 117.541 119.914 0.175 0.000 2.626 266 V HA -0.166 3.951 4.120 -0.004 0.000 0.252 266 V C 2.122 178.251 176.094 0.059 0.000 1.067 266 V CA 2.104 64.485 62.300 0.135 0.000 1.081 266 V CB -1.290 30.614 31.823 0.135 0.000 0.686 266 V HN 0.374 nan 8.190 nan 0.000 0.468 267 T N -0.404 114.152 114.554 0.005 0.000 2.937 267 T HA -0.058 4.289 4.350 -0.004 0.000 0.260 267 T C 1.987 176.589 174.700 -0.163 0.000 1.051 267 T CA 1.274 63.339 62.100 -0.058 0.000 1.141 267 T CB -0.243 68.595 68.868 -0.049 0.000 0.879 267 T HN 0.453 nan 8.240 nan 0.000 0.459 268 Q N 0.431 120.051 119.800 -0.300 0.000 2.135 268 Q HA -0.012 4.325 4.340 -0.004 0.000 0.204 268 Q C 0.303 175.855 176.000 -0.745 0.000 0.981 268 Q CA 1.176 56.632 55.803 -0.579 0.000 0.856 268 Q CB -0.258 28.007 28.738 -0.789 0.000 0.902 268 Q HN 0.576 nan 8.270 nan 0.000 0.425 269 F N 0.215 120.139 119.950 -0.043 0.000 2.664 269 F HA 0.177 4.701 4.527 -0.004 0.000 0.322 269 F C 1.130 176.909 175.800 -0.035 0.000 1.324 269 F CA -0.377 57.604 58.000 -0.031 0.000 1.154 269 F CB 0.451 39.436 39.000 -0.025 0.000 1.236 269 F HN -0.091 nan 8.300 nan 0.000 0.532 270 S N -1.452 114.270 115.700 0.037 0.000 2.527 270 S HA -0.072 4.396 4.470 -0.004 0.000 0.222 270 S C 1.394 176.009 174.600 0.024 0.000 0.985 270 S CA 0.738 58.950 58.200 0.021 0.000 0.921 270 S CB -0.202 62.992 63.200 -0.011 0.000 0.772 270 S HN 0.375 nan 8.310 nan 0.000 0.529 271 S N 0.148 115.872 115.700 0.040 0.000 2.780 271 S HA 0.470 4.938 4.470 -0.004 0.000 0.248 271 S C 0.130 174.752 174.600 0.036 0.000 1.036 271 S CA -0.005 58.211 58.200 0.027 0.000 1.061 271 S CB 0.009 63.219 63.200 0.016 0.000 1.037 271 S HN 0.650 nan 8.310 nan 0.000 0.584 272 V N -2.331 117.621 119.914 0.063 0.000 3.046 272 V HA 0.792 4.909 4.120 -0.004 0.000 0.316 272 V C -3.318 172.784 176.094 0.013 0.000 1.104 272 V CA -3.101 59.224 62.300 0.042 0.000 1.006 272 V CB 1.043 32.912 31.823 0.077 0.000 1.058 272 V HN -0.076 nan 8.190 nan 0.000 0.440 273 P HA 0.366 nan 4.420 nan 0.000 0.271 273 P C -0.923 176.324 177.300 -0.088 0.000 1.218 273 P CA 0.034 63.092 63.100 -0.069 0.000 0.780 273 P CB 1.056 32.702 31.700 -0.090 0.000 0.901 274 V N 1.999 121.844 119.914 -0.116 0.000 2.668 274 V HA 0.442 4.559 4.120 -0.004 0.000 0.304 274 V C -0.662 175.319 176.094 -0.188 0.000 1.071 274 V CA -0.535 61.674 62.300 -0.152 0.000 0.894 274 V CB 1.918 33.703 31.823 -0.064 0.000 1.008 274 V HN 0.589 nan 8.190 nan 0.000 0.425 275 S N 5.923 121.506 115.700 -0.195 0.000 2.475 275 S HA 0.727 5.194 4.470 -0.004 0.000 0.281 275 S C -0.843 173.646 174.600 -0.185 0.000 1.198 275 S CA -0.395 57.687 58.200 -0.197 0.000 1.063 275 S CB 1.137 64.238 63.200 -0.165 0.000 0.972 275 S HN 0.878 nan 8.310 nan 0.000 0.486 276 V N 5.862 125.650 119.914 -0.210 0.000 2.409 276 V HA 0.357 4.474 4.120 -0.004 0.000 0.290 276 V C 0.187 176.198 176.094 -0.138 0.000 1.017 276 V CA -0.976 61.233 62.300 -0.153 0.000 0.841 276 V CB 1.381 33.139 31.823 -0.108 0.000 1.003 276 V HN 0.789 nan 8.190 nan 0.000 0.426 277 V N 4.945 124.783 119.914 -0.126 0.000 2.509 277 V HA 0.070 4.188 4.120 -0.004 0.000 0.297 277 V C 1.122 177.214 176.094 -0.005 0.000 1.014 277 V CA 1.320 63.542 62.300 -0.130 0.000 1.127 277 V CB 1.452 33.078 31.823 -0.327 0.000 0.925 277 V HN 1.045 nan 8.190 nan 0.000 0.480 278 S N 3.377 119.114 115.700 0.061 0.000 2.701 278 S HA 0.140 4.608 4.470 -0.004 0.000 0.242 278 S C 0.763 175.470 174.600 0.178 0.000 1.025 278 S CA 0.133 58.471 58.200 0.231 0.000 1.016 278 S CB 0.116 63.491 63.200 0.292 0.000 0.977 278 S HN 1.011 nan 8.310 nan 0.000 0.546 279 D N 0.656 121.114 120.400 0.096 0.000 2.424 279 D HA 0.194 4.832 4.640 -0.004 0.000 0.220 279 D C 0.876 177.167 176.300 -0.015 0.000 1.150 279 D CA 0.011 54.028 54.000 0.029 0.000 0.831 279 D CB -0.158 40.649 40.800 0.011 0.000 0.981 279 D HN 0.013 nan 8.370 nan 0.000 0.500 280 S N -0.133 115.526 115.700 -0.068 0.000 2.392 280 S HA -0.191 4.277 4.470 -0.004 0.000 0.232 280 S C 0.821 175.009 174.600 -0.688 0.000 1.041 280 S CA 1.496 59.434 58.200 -0.436 0.000 1.026 280 S CB -0.278 62.458 63.200 -0.773 0.000 0.845 280 S HN 0.567 nan 8.310 nan 0.000 0.465 281 Y N -0.868 119.450 120.300 0.029 0.000 2.912 281 Y HA 0.397 4.944 4.550 -0.004 0.000 0.250 281 Y C 0.140 176.032 175.900 -0.014 0.000 1.073 281 Y CA -0.486 57.611 58.100 -0.005 0.000 1.275 281 Y CB 0.775 39.220 38.460 -0.025 0.000 1.470 281 Y HN 0.047 nan 8.280 nan 0.000 0.447 282 D N 0.281 120.757 120.400 0.127 0.000 2.337 282 D HA 0.112 4.750 4.640 -0.004 0.000 0.238 282 D C 0.260 176.553 176.300 -0.012 0.000 1.331 282 D CA -0.190 53.839 54.000 0.048 0.000 0.967 282 D CB 1.049 41.904 40.800 0.093 0.000 1.382 282 D HN 0.199 nan 8.370 nan 0.000 0.549 283 I N 3.617 124.082 120.570 -0.175 0.000 2.248 283 I HA -0.240 3.927 4.170 -0.004 0.000 0.248 283 I C 1.100 177.121 176.117 -0.160 0.000 1.107 283 I CA 1.819 62.981 61.300 -0.231 0.000 1.373 283 I CB -0.204 37.533 38.000 -0.437 0.000 1.055 283 I HN 0.454 nan 8.210 nan 0.000 0.418 284 Y N -0.278 120.085 120.300 0.105 0.000 2.220 284 Y HA -0.163 4.384 4.550 -0.005 0.000 0.291 284 Y C 2.510 178.474 175.900 0.106 0.000 1.129 284 Y CA 1.273 59.432 58.100 0.098 0.000 1.161 284 Y CB -0.728 37.776 38.460 0.073 0.000 0.997 284 Y HN 0.328 nan 8.280 nan 0.000 0.522 285 N N 0.776 119.599 118.700 0.205 0.000 2.120 285 N HA -0.180 4.557 4.740 -0.004 0.000 0.188 285 N C 1.841 177.425 175.510 0.123 0.000 1.024 285 N CA 1.368 54.500 53.050 0.137 0.000 0.852 285 N CB -0.309 38.231 38.487 0.088 0.000 1.003 285 N HN 0.265 nan 8.380 nan 0.000 0.424 286 A N -0.116 122.784 122.820 0.134 0.000 1.877 286 A HA -0.134 4.184 4.320 -0.004 0.000 0.216 286 A C 2.617 180.351 177.584 0.250 0.000 1.186 286 A CA 1.527 53.656 52.037 0.152 0.000 0.620 286 A CB -1.157 17.996 19.000 0.255 0.000 0.822 286 A HN 0.578 nan 8.150 nan 0.000 0.443 287 C N -1.287 118.216 119.300 0.339 0.000 2.489 287 C HA -0.026 4.431 4.460 -0.004 0.000 0.279 287 C C 2.712 177.919 174.990 0.362 0.000 1.266 287 C CA 1.155 60.435 59.018 0.437 0.000 1.707 287 C CB -1.065 26.869 27.740 0.323 0.000 2.059 287 C HN 0.781 nan 8.230 nan 0.000 0.481 288 E N 0.774 121.130 120.200 0.261 0.000 2.046 288 E HA -0.209 4.138 4.350 -0.004 0.000 0.190 288 E C 2.240 178.934 176.600 0.156 0.000 0.982 288 E CA 1.139 57.658 56.400 0.199 0.000 0.800 288 E CB -0.078 29.718 29.700 0.160 0.000 0.756 288 E HN 0.599 nan 8.360 nan 0.000 0.449 289 K N -0.067 120.410 120.400 0.129 0.000 2.214 289 K HA 0.036 4.353 4.320 -0.004 0.000 0.201 289 K C 2.081 178.722 176.600 0.067 0.000 1.049 289 K CA 0.459 56.793 56.287 0.079 0.000 0.978 289 K CB 0.137 32.663 32.500 0.044 0.000 0.842 289 K HN 0.100 nan 8.250 nan 0.000 0.474 290 I N -0.476 120.118 120.570 0.041 0.000 2.270 290 I HA -0.148 4.020 4.170 -0.004 0.000 0.239 290 I C 2.026 178.179 176.117 0.060 0.000 1.080 290 I CA 1.032 62.300 61.300 -0.054 0.000 1.383 290 I CB -0.428 37.424 38.000 -0.248 0.000 1.097 290 I HN 0.252 nan 8.210 nan 0.000 0.420 291 W N 1.039 122.482 121.300 0.239 0.000 2.381 291 W HA -0.029 4.628 4.660 -0.005 0.000 0.301 291 W C 2.556 179.236 176.519 0.268 0.000 1.205 291 W CA 0.745 58.227 57.345 0.228 0.000 1.285 291 W CB -0.613 28.961 29.460 0.190 0.000 1.133 291 W HN 0.111 nan 8.180 nan 0.000 0.521 292 G N -0.295 108.776 108.800 0.452 0.000 2.484 292 G HA2 -0.071 3.886 3.960 -0.004 0.000 0.218 292 G HA3 -0.071 3.886 3.960 -0.004 0.000 0.218 292 G C 1.074 175.998 174.900 0.040 0.000 1.130 292 G CA 0.987 46.221 45.100 0.223 0.000 0.784 292 G HN 0.294 nan 8.290 nan 0.000 0.543 293 E N -0.398 119.863 120.200 0.102 0.000 3.312 293 E HA 0.036 4.383 4.350 -0.004 0.000 0.178 293 E C 1.473 178.136 176.600 0.105 0.000 1.204 293 E CA -0.105 56.333 56.400 0.064 0.000 1.335 293 E CB 0.119 29.846 29.700 0.046 0.000 1.680 293 E HN -0.018 nan 8.360 nan 0.000 0.503 294 D N 1.073 121.531 120.400 0.096 0.000 2.182 294 D HA -0.106 4.532 4.640 -0.004 0.000 0.201 294 D C 1.546 177.953 176.300 0.179 0.000 0.986 294 D CA 1.210 55.276 54.000 0.110 0.000 0.847 294 D CB 0.255 41.081 40.800 0.043 0.000 0.942 294 D HN 0.128 nan 8.370 nan 0.000 0.467 295 L N -0.377 120.927 121.223 0.136 0.000 3.016 295 L HA 0.268 4.606 4.340 -0.004 0.000 0.267 295 L C 1.960 178.833 176.870 0.005 0.000 1.182 295 L CA -0.254 54.596 54.840 0.015 0.000 0.997 295 L CB 0.497 42.619 42.059 0.105 0.000 1.354 295 L HN -0.152 nan 8.230 nan 0.000 0.569 296 R N 0.995 121.586 120.500 0.152 0.000 2.139 296 R HA -0.220 4.117 4.340 -0.004 0.000 0.243 296 R C 2.354 178.712 176.300 0.097 0.000 1.145 296 R CA 2.107 58.319 56.100 0.187 0.000 0.976 296 R CB -0.209 30.135 30.300 0.073 0.000 0.866 296 R HN 0.577 nan 8.270 nan 0.000 0.449 297 H N -0.572 118.547 119.070 0.082 0.000 2.491 297 H HA -0.074 4.480 4.556 -0.004 0.000 0.290 297 H C 1.733 177.077 175.328 0.026 0.000 1.050 297 H CA 0.990 57.059 56.048 0.035 0.000 1.309 297 H CB -0.280 29.497 29.762 0.026 0.000 1.392 297 H HN 0.309 nan 8.280 nan 0.000 0.554 298 L N 0.092 121.091 121.223 -0.373 0.000 2.509 298 L HA 0.118 4.455 4.340 -0.004 0.000 0.222 298 L C 2.184 178.994 176.870 -0.102 0.000 1.123 298 L CA 0.198 54.920 54.840 -0.195 0.000 0.856 298 L CB 0.077 42.015 42.059 -0.201 0.000 0.985 298 L HN 0.162 nan 8.230 nan 0.000 0.456 299 I N -0.568 119.952 120.570 -0.083 0.000 2.512 299 I HA -0.113 4.054 4.170 -0.004 0.000 0.247 299 I C 2.266 178.134 176.117 -0.416 0.000 1.094 299 I CA 0.624 61.849 61.300 -0.126 0.000 1.427 299 I CB 0.023 38.041 38.000 0.030 0.000 1.149 299 I HN 0.047 nan 8.210 nan 0.000 0.438 300 V N -1.104 118.561 119.914 -0.415 0.000 3.241 300 V HA -0.088 4.030 4.120 -0.004 0.000 0.269 300 V C 1.923 177.645 176.094 -0.620 0.000 1.151 300 V CA 1.704 63.473 62.300 -0.885 0.000 1.158 300 V CB -1.100 30.555 31.823 -0.281 0.000 0.764 300 V HN 0.485 nan 8.190 nan 0.000 0.508 301 S N -1.013 114.492 115.700 -0.326 0.000 2.556 301 S HA 0.296 4.763 4.470 -0.004 0.000 0.216 301 S C 0.934 175.463 174.600 -0.118 0.000 0.970 301 S CA -0.499 57.608 58.200 -0.154 0.000 0.912 301 S CB -0.155 63.005 63.200 -0.066 0.000 0.790 301 S HN 0.655 nan 8.310 nan 0.000 0.504 302 R N 2.070 122.470 120.500 -0.166 0.000 2.582 302 R HA 0.421 4.758 4.340 -0.004 0.000 0.271 302 R C 0.438 176.758 176.300 0.034 0.000 1.078 302 R CA -0.026 56.043 56.100 -0.052 0.000 1.127 302 R CB 0.640 30.914 30.300 -0.044 0.000 1.038 302 R HN 0.338 nan 8.270 nan 0.000 0.500 303 S N 0.213 115.933 115.700 0.034 0.000 2.617 303 S HA 0.027 4.494 4.470 -0.004 0.000 0.269 303 S C 1.092 175.722 174.600 0.051 0.000 1.292 303 S CA -0.565 57.661 58.200 0.045 0.000 1.010 303 S CB 1.400 64.611 63.200 0.018 0.000 0.944 303 S HN 0.578 nan 8.310 nan 0.000 0.536 304 T N 2.753 117.331 114.554 0.039 0.000 2.803 304 T HA -0.109 4.238 4.350 -0.004 0.000 0.269 304 T C 1.520 176.204 174.700 -0.025 0.000 1.052 304 T CA 1.503 63.605 62.100 0.004 0.000 1.136 304 T CB -0.267 68.599 68.868 -0.003 0.000 0.864 304 T HN 0.757 nan 8.240 nan 0.000 0.467 305 Q N 0.494 120.279 119.800 -0.025 0.000 2.403 305 Q HA 0.370 4.707 4.340 -0.004 0.000 0.203 305 Q C 0.826 176.799 176.000 -0.046 0.000 0.932 305 Q CA 0.151 55.926 55.803 -0.046 0.000 0.945 305 Q CB 0.011 28.723 28.738 -0.044 0.000 1.045 305 Q HN 0.472 nan 8.270 nan 0.000 0.511 306 A N 2.275 125.077 122.820 -0.029 0.000 3.129 306 A HA 0.377 4.695 4.320 -0.004 0.000 0.282 306 A C -2.479 175.083 177.584 -0.036 0.000 0.948 306 A CA -1.204 50.816 52.037 -0.028 0.000 1.027 306 A CB 0.402 19.397 19.000 -0.008 0.000 1.123 306 A HN 0.005 nan 8.150 nan 0.000 0.485 307 P HA 0.153 nan 4.420 nan 0.000 0.269 307 P C -0.107 177.115 177.300 -0.131 0.000 1.215 307 P CA -0.079 62.974 63.100 -0.077 0.000 0.780 307 P CB 0.980 32.613 31.700 -0.112 0.000 0.898 308 L N 3.113 124.227 121.223 -0.182 0.000 2.360 308 L HA 0.268 4.606 4.340 -0.004 0.000 0.276 308 L C -0.271 176.388 176.870 -0.351 0.000 1.121 308 L CA 0.049 54.700 54.840 -0.316 0.000 0.845 308 L CB -0.461 41.311 42.059 -0.479 0.000 1.143 308 L HN 0.182 nan 8.230 nan 0.000 0.452 309 I N 6.844 127.210 120.570 -0.340 0.000 2.359 309 I HA 0.307 4.475 4.170 -0.004 0.000 0.284 309 I C -0.173 175.721 176.117 -0.372 0.000 1.018 309 I CA -0.350 60.761 61.300 -0.314 0.000 1.173 309 I CB 0.864 38.728 38.000 -0.226 0.000 1.326 309 I HN 0.518 nan 8.210 nan 0.000 0.462 310 I N 6.075 126.391 120.570 -0.425 0.000 2.533 310 I HA 0.162 4.329 4.170 -0.004 0.000 0.284 310 I C 0.653 176.631 176.117 -0.232 0.000 1.109 310 I CA 0.076 61.140 61.300 -0.392 0.000 1.412 310 I CB 0.454 38.207 38.000 -0.411 0.000 1.396 310 I HN 0.561 nan 8.210 nan 0.000 0.543 311 R N 8.989 129.390 120.500 -0.164 0.000 2.272 311 R HA 0.416 4.753 4.340 -0.004 0.000 0.323 311 R C -2.583 173.683 176.300 -0.057 0.000 1.002 311 R CA -1.646 54.391 56.100 -0.106 0.000 0.900 311 R CB 1.054 31.302 30.300 -0.086 0.000 1.151 311 R HN 0.267 nan 8.270 nan 0.000 0.507 312 P HA 0.153 nan 4.420 nan 0.000 0.274 312 P C -0.799 176.507 177.300 0.009 0.000 1.237 312 P CA -0.068 63.016 63.100 -0.026 0.000 0.793 312 P CB 1.066 32.742 31.700 -0.040 0.000 0.977 313 D N -1.042 119.380 120.400 0.035 0.000 2.740 313 D HA 0.169 4.806 4.640 -0.004 0.000 0.305 313 D C -0.870 175.467 176.300 0.063 0.000 1.583 313 D CA -0.060 53.987 54.000 0.079 0.000 0.790 313 D CB 0.079 40.970 40.800 0.150 0.000 1.187 313 D HN 0.368 nan 8.370 nan 0.000 0.447 314 S N -1.919 113.799 115.700 0.030 0.000 2.615 314 S HA 0.776 5.244 4.470 -0.004 0.000 0.268 314 S C 0.269 174.881 174.600 0.021 0.000 1.146 314 S CA -0.370 57.841 58.200 0.019 0.000 0.818 314 S CB 1.378 64.576 63.200 -0.004 0.000 1.111 314 S HN 0.728 nan 8.310 nan 0.000 0.465 315 G N 1.273 110.093 108.800 0.033 0.000 2.710 315 G HA2 -0.071 3.887 3.960 -0.004 0.000 0.668 315 G HA3 -0.071 3.887 3.960 -0.004 0.000 0.668 315 G C -0.655 174.280 174.900 0.058 0.000 1.320 315 G CA -0.402 44.731 45.100 0.055 0.000 0.860 315 G HN 1.187 nan 8.290 nan 0.000 0.538 316 N N 1.099 119.840 118.700 0.068 0.000 2.440 316 N HA 0.172 4.910 4.740 -0.004 0.000 0.265 316 N C -0.817 174.731 175.510 0.064 0.000 1.239 316 N CA -0.537 52.549 53.050 0.060 0.000 0.909 316 N CB 1.222 39.744 38.487 0.058 0.000 1.066 316 N HN 0.127 nan 8.380 nan 0.000 0.474 317 P HA -0.141 nan 4.420 nan 0.000 0.215 317 P C 1.575 178.914 177.300 0.064 0.000 1.153 317 P CA 0.643 63.781 63.100 0.063 0.000 0.853 317 P CB 0.255 31.994 31.700 0.066 0.000 0.788 318 L N -0.038 121.220 121.223 0.057 0.000 2.023 318 L HA -0.111 4.226 4.340 -0.004 0.000 0.205 318 L C 1.636 178.537 176.870 0.052 0.000 1.073 318 L CA 2.085 56.957 54.840 0.053 0.000 0.745 318 L CB -1.446 40.639 42.059 0.044 0.000 0.900 318 L HN -0.171 nan 8.230 nan 0.000 0.435 319 D N -0.839 119.596 120.400 0.058 0.000 2.133 319 D HA -0.186 4.452 4.640 -0.004 0.000 0.195 319 D C 2.020 178.371 176.300 0.085 0.000 0.997 319 D CA 1.976 56.013 54.000 0.062 0.000 0.840 319 D CB -0.339 40.499 40.800 0.064 0.000 0.947 319 D HN 0.401 nan 8.370 nan 0.000 0.452 320 T N 0.618 115.241 114.554 0.115 0.000 2.737 320 T HA -0.085 4.263 4.350 -0.004 0.000 0.265 320 T C 2.308 177.071 174.700 0.104 0.000 1.038 320 T CA 0.692 62.896 62.100 0.173 0.000 1.144 320 T CB -0.397 68.546 68.868 0.125 0.000 0.866 320 T HN -0.029 nan 8.240 nan 0.000 0.434 321 V N 1.779 121.712 119.914 0.031 0.000 2.287 321 V HA -0.151 3.966 4.120 -0.004 0.000 0.248 321 V C 2.526 178.563 176.094 -0.094 0.000 1.053 321 V CA 1.596 63.867 62.300 -0.048 0.000 1.027 321 V CB -0.726 31.064 31.823 -0.056 0.000 0.646 321 V HN 0.451 nan 8.190 nan 0.000 0.447 322 L N -0.374 120.821 121.223 -0.046 0.000 2.083 322 L HA -0.223 4.114 4.340 -0.004 0.000 0.209 322 L C 2.544 179.385 176.870 -0.049 0.000 1.083 322 L CA 1.992 56.797 54.840 -0.059 0.000 0.752 322 L CB -0.631 41.449 42.059 0.034 0.000 0.899 322 L HN 0.327 nan 8.230 nan 0.000 0.433 323 K N 0.049 120.448 120.400 -0.002 0.000 2.116 323 K HA -0.089 4.228 4.320 -0.004 0.000 0.203 323 K C 2.069 178.693 176.600 0.041 0.000 1.052 323 K CA 0.705 56.984 56.287 -0.013 0.000 0.952 323 K CB 0.152 32.572 32.500 -0.133 0.000 0.729 323 K HN 0.004 nan 8.250 nan 0.000 0.446 324 V N 1.886 121.857 119.914 0.096 0.000 2.287 324 V HA -0.280 3.837 4.120 -0.004 0.000 0.248 324 V C 2.285 178.333 176.094 -0.075 0.000 1.053 324 V CA 1.704 64.049 62.300 0.076 0.000 1.027 324 V CB -0.333 31.505 31.823 0.025 0.000 0.646 324 V HN 0.338 nan 8.190 nan 0.000 0.447 325 L N -0.574 120.483 121.223 -0.276 0.000 2.046 325 L HA -0.202 4.136 4.340 -0.004 0.000 0.208 325 L C 2.642 179.345 176.870 -0.279 0.000 1.077 325 L CA 1.588 56.053 54.840 -0.624 0.000 0.747 325 L CB -0.539 40.692 42.059 -1.381 0.000 0.896 325 L HN 0.324 nan 8.230 nan 0.000 0.432 326 E N 0.517 120.698 120.200 -0.032 0.000 2.077 326 E HA -0.178 4.170 4.350 -0.004 0.000 0.193 326 E C 2.093 178.793 176.600 0.167 0.000 0.989 326 E CA 1.232 57.754 56.400 0.203 0.000 0.800 326 E CB -0.178 29.616 29.700 0.157 0.000 0.746 326 E HN 0.375 nan 8.360 nan 0.000 0.452 327 I N -0.029 120.609 120.570 0.114 0.000 2.179 327 I HA -0.294 3.873 4.170 -0.004 0.000 0.242 327 I C 2.192 178.427 176.117 0.197 0.000 1.088 327 I CA 0.982 62.370 61.300 0.147 0.000 1.357 327 I CB -0.235 37.866 38.000 0.168 0.000 1.051 327 I HN 0.120 nan 8.210 nan 0.000 0.409 328 L N 0.164 121.500 121.223 0.189 0.000 2.093 328 L HA -0.094 4.243 4.340 -0.004 0.000 0.208 328 L C 2.638 179.725 176.870 0.362 0.000 1.085 328 L CA 1.337 56.356 54.840 0.298 0.000 0.755 328 L CB -1.080 41.046 42.059 0.113 0.000 0.904 328 L HN 0.322 nan 8.230 nan 0.000 0.435 329 G N -0.029 108.967 108.800 0.327 0.000 2.448 329 G HA2 -0.235 3.722 3.960 -0.004 0.000 0.219 329 G HA3 -0.235 3.722 3.960 -0.004 0.000 0.219 329 G C 1.680 176.738 174.900 0.263 0.000 1.127 329 G CA 0.532 45.872 45.100 0.400 0.000 0.766 329 G HN 0.324 nan 8.290 nan 0.000 0.552 330 K N -0.464 120.065 120.400 0.214 0.000 2.361 330 K HA 0.125 4.442 4.320 -0.004 0.000 0.196 330 K C 1.854 178.505 176.600 0.086 0.000 1.039 330 K CA 0.296 56.664 56.287 0.134 0.000 1.001 330 K CB 0.254 32.821 32.500 0.111 0.000 0.795 330 K HN -0.011 nan 8.250 nan 0.000 0.495 331 K N -0.400 120.060 120.400 0.099 0.000 2.354 331 K HA 0.201 4.518 4.320 -0.004 0.000 0.194 331 K C -0.164 176.200 176.600 -0.392 0.000 1.045 331 K CA 0.402 56.615 56.287 -0.123 0.000 1.026 331 K CB 0.568 32.994 32.500 -0.124 0.000 0.866 331 K HN -0.056 nan 8.250 nan 0.000 0.530 332 F N 1.250 121.275 119.950 0.125 0.000 2.577 332 F HA 0.331 4.856 4.527 -0.004 0.000 0.318 332 F C -2.138 173.730 175.800 0.112 0.000 1.065 332 F CA -2.680 55.402 58.000 0.137 0.000 0.929 332 F CB 1.608 40.695 39.000 0.145 0.000 1.237 332 F HN -0.243 nan 8.300 nan 0.000 0.468 333 P HA 0.131 nan 4.420 nan 0.000 0.268 333 P C -0.634 176.745 177.300 0.132 0.000 1.282 333 P CA 0.140 63.342 63.100 0.170 0.000 0.880 333 P CB 0.421 32.215 31.700 0.157 0.000 0.971 334 V N 4.417 124.402 119.914 0.118 0.000 2.567 334 V HA 0.373 4.490 4.120 -0.004 0.000 0.289 334 V C 1.112 177.226 176.094 0.032 0.000 1.049 334 V CA 0.017 62.370 62.300 0.089 0.000 0.969 334 V CB 1.436 33.320 31.823 0.103 0.000 0.995 334 V HN 0.623 nan 8.190 nan 0.000 0.471 335 T N 1.465 116.029 114.554 0.016 0.000 2.927 335 T HA 0.635 4.982 4.350 -0.004 0.000 0.286 335 T C -0.692 173.995 174.700 -0.022 0.000 1.040 335 T CA -0.937 61.162 62.100 -0.003 0.000 1.010 335 T CB 2.024 70.893 68.868 0.002 0.000 1.177 335 T HN 0.598 nan 8.240 nan 0.000 0.546 336 E N 1.924 122.108 120.200 -0.026 0.000 2.176 336 E HA 0.308 4.655 4.350 -0.004 0.000 0.267 336 E C -0.349 176.249 176.600 -0.003 0.000 0.893 336 E CA -0.853 55.527 56.400 -0.034 0.000 0.761 336 E CB 1.562 31.225 29.700 -0.061 0.000 1.133 336 E HN 0.754 nan 8.360 nan 0.000 0.409 337 N N 0.468 119.185 118.700 0.028 0.000 2.322 337 N HA -0.051 4.686 4.740 -0.004 0.000 0.270 337 N C 0.837 176.372 175.510 0.042 0.000 1.286 337 N CA -0.208 52.868 53.050 0.043 0.000 0.948 337 N CB 0.193 38.720 38.487 0.067 0.000 1.164 337 N HN 0.299 nan 8.380 nan 0.000 0.551 338 S N -1.820 113.906 115.700 0.043 0.000 2.474 338 S HA -0.018 4.450 4.470 -0.004 0.000 0.235 338 S C 0.992 175.623 174.600 0.052 0.000 0.997 338 S CA 0.444 58.664 58.200 0.034 0.000 0.949 338 S CB -0.256 62.960 63.200 0.026 0.000 0.766 338 S HN 0.508 nan 8.310 nan 0.000 0.517 339 K N 0.795 121.257 120.400 0.104 0.000 2.404 339 K HA 0.265 4.582 4.320 -0.004 0.000 0.194 339 K C 1.364 178.050 176.600 0.144 0.000 1.023 339 K CA 0.629 57.017 56.287 0.168 0.000 1.094 339 K CB -0.039 32.613 32.500 0.252 0.000 0.841 339 K HN 0.577 nan 8.250 nan 0.000 0.523 340 G N 1.000 109.823 108.800 0.039 0.000 2.157 340 G HA2 -0.263 3.694 3.960 -0.004 0.000 0.239 340 G HA3 -0.263 3.694 3.960 -0.004 0.000 0.239 340 G C -0.363 174.367 174.900 -0.283 0.000 0.982 340 G CA -0.189 44.825 45.100 -0.144 0.000 0.650 340 G HN 0.230 nan 8.290 nan 0.000 0.527 341 Y N 0.875 121.148 120.300 -0.046 0.000 2.352 341 Y HA 0.585 5.133 4.550 -0.004 0.000 0.326 341 Y C 1.070 176.911 175.900 -0.099 0.000 1.166 341 Y CA -0.690 57.372 58.100 -0.064 0.000 1.182 341 Y CB 1.008 39.468 38.460 -0.000 0.000 1.216 341 Y HN 0.019 nan 8.280 nan 0.000 0.474 342 K N 2.456 122.800 120.400 -0.092 0.000 2.326 342 K HA 0.383 4.701 4.320 -0.004 0.000 0.275 342 K C -1.332 175.298 176.600 0.050 0.000 1.018 342 K CA -0.452 55.711 56.287 -0.206 0.000 0.962 342 K CB 0.634 32.678 32.500 -0.759 0.000 0.953 342 K HN 0.327 nan 8.250 nan 0.000 0.475 343 L N 4.247 125.517 121.223 0.079 0.000 2.441 343 L HA 0.332 4.669 4.340 -0.004 0.000 0.270 343 L C -1.059 175.882 176.870 0.119 0.000 0.973 343 L CA -0.454 54.464 54.840 0.130 0.000 0.842 343 L CB 1.242 43.338 42.059 0.062 0.000 1.239 343 L HN 0.559 nan 8.230 nan 0.000 0.406 344 L N 6.077 127.382 121.223 0.137 0.000 2.473 344 L HA 0.334 4.671 4.340 -0.004 0.000 0.268 344 L C -1.654 175.141 176.870 -0.125 0.000 1.215 344 L CA -1.547 53.311 54.840 0.030 0.000 0.823 344 L CB 0.046 42.069 42.059 -0.061 0.000 1.099 344 L HN 0.522 nan 8.230 nan 0.000 0.483 345 P HA 0.021 nan 4.420 nan 0.000 0.269 345 P C -2.204 174.751 177.300 -0.576 0.000 1.217 345 P CA -1.212 61.589 63.100 -0.498 0.000 0.783 345 P CB -0.195 30.935 31.700 -0.950 0.000 0.898 346 P HA -0.116 nan 4.420 nan 0.000 0.226 346 P C 0.947 178.109 177.300 -0.229 0.000 1.153 346 P CA 1.366 64.308 63.100 -0.263 0.000 0.777 346 P CB -0.430 31.192 31.700 -0.129 0.000 0.794 347 Y N -1.315 118.932 120.300 -0.089 0.000 2.502 347 Y HA 0.482 5.029 4.550 -0.005 0.000 0.295 347 Y C 0.479 176.251 175.900 -0.213 0.000 1.193 347 Y CA -1.074 56.952 58.100 -0.124 0.000 1.295 347 Y CB -0.797 37.609 38.460 -0.089 0.000 1.059 347 Y HN -0.205 nan 8.280 nan 0.000 0.514 348 L N 1.744 122.809 121.223 -0.263 0.000 2.439 348 L HA 0.630 4.967 4.340 -0.004 0.000 0.270 348 L C -1.257 175.434 176.870 -0.298 0.000 0.972 348 L CA -1.151 53.501 54.840 -0.313 0.000 0.836 348 L CB 1.382 43.157 42.059 -0.473 0.000 1.255 348 L HN 0.017 nan 8.230 nan 0.000 0.404 349 R N 2.881 123.210 120.500 -0.285 0.000 2.922 349 R HA 0.849 5.186 4.340 -0.004 0.000 0.256 349 R C -1.542 174.591 176.300 -0.279 0.000 1.138 349 R CA -0.872 55.079 56.100 -0.249 0.000 0.995 349 R CB 2.211 32.391 30.300 -0.200 0.000 1.226 349 R HN 0.377 nan 8.270 nan 0.000 0.481 350 V N 1.397 121.154 119.914 -0.262 0.000 2.789 350 V HA 0.564 4.682 4.120 -0.004 0.000 0.311 350 V C -0.461 175.462 176.094 -0.285 0.000 1.073 350 V CA -0.862 61.274 62.300 -0.272 0.000 0.921 350 V CB 2.625 34.282 31.823 -0.278 0.000 1.009 350 V HN 0.610 nan 8.190 nan 0.000 0.426 351 I N 3.133 123.547 120.570 -0.260 0.000 2.478 351 I HA 0.542 4.709 4.170 -0.004 0.000 0.287 351 I C -0.979 174.998 176.117 -0.233 0.000 1.042 351 I CA -0.614 60.522 61.300 -0.275 0.000 1.067 351 I CB 1.934 39.822 38.000 -0.188 0.000 1.233 351 I HN 0.784 nan 8.210 nan 0.000 0.431 352 Q N 5.588 125.193 119.800 -0.325 0.000 2.372 352 Q HA 0.519 4.856 4.340 -0.004 0.000 0.259 352 Q C -0.059 175.908 176.000 -0.056 0.000 0.993 352 Q CA -0.215 55.492 55.803 -0.161 0.000 0.854 352 Q CB 1.654 30.303 28.738 -0.149 0.000 1.231 352 Q HN 0.763 nan 8.270 nan 0.000 0.462 353 G N 2.959 111.781 108.800 0.036 0.000 3.377 353 G HA2 0.101 4.058 3.960 -0.004 0.000 0.257 353 G HA3 0.101 4.058 3.960 -0.004 0.000 0.257 353 G C -0.558 174.452 174.900 0.183 0.000 1.038 353 G CA -0.148 45.019 45.100 0.111 0.000 0.809 353 G HN 0.609 nan 8.290 nan 0.000 0.526 354 D N -1.015 119.459 120.400 0.123 0.000 2.256 354 D HA 0.461 5.099 4.640 -0.004 0.000 0.246 354 D C 1.184 177.534 176.300 0.083 0.000 1.042 354 D CA 0.318 54.384 54.000 0.109 0.000 0.841 354 D CB 1.229 42.082 40.800 0.089 0.000 1.223 354 D HN 0.232 nan 8.370 nan 0.000 0.470 355 G N 1.897 110.740 108.800 0.072 0.000 2.168 355 G HA2 -0.214 3.743 3.960 -0.004 0.000 0.257 355 G HA3 -0.214 3.743 3.960 -0.004 0.000 0.257 355 G C 0.105 175.029 174.900 0.039 0.000 0.997 355 G CA 0.381 45.512 45.100 0.052 0.000 0.708 355 G HN 0.556 nan 8.290 nan 0.000 0.520 356 V N 1.790 121.727 119.914 0.037 0.000 2.406 356 V HA 0.595 4.713 4.120 -0.004 0.000 0.272 356 V C 0.301 176.375 176.094 -0.034 0.000 1.043 356 V CA 0.327 62.626 62.300 -0.001 0.000 0.915 356 V CB 1.342 33.176 31.823 0.017 0.000 0.988 356 V HN 0.649 nan 8.190 nan 0.000 0.466 357 D N 3.145 123.512 120.400 -0.056 0.000 2.812 357 D HA 0.239 4.876 4.640 -0.004 0.000 0.318 357 D C 0.865 177.119 176.300 -0.077 0.000 1.234 357 D CA -0.815 53.156 54.000 -0.048 0.000 0.989 357 D CB 1.041 41.840 40.800 -0.003 0.000 1.442 357 D HN 0.276 nan 8.370 nan 0.000 0.537 358 I N 0.008 120.557 120.570 -0.034 0.000 2.361 358 I HA -0.225 3.942 4.170 -0.004 0.000 0.251 358 I C 1.064 177.137 176.117 -0.073 0.000 1.133 358 I CA 1.245 62.516 61.300 -0.049 0.000 1.413 358 I CB -0.137 37.878 38.000 0.025 0.000 1.073 358 I HN 0.241 nan 8.210 nan 0.000 0.424 359 N N 0.345 119.019 118.700 -0.042 0.000 2.109 359 N HA -0.164 4.573 4.740 -0.004 0.000 0.188 359 N C 1.910 177.378 175.510 -0.070 0.000 1.034 359 N CA 2.205 55.229 53.050 -0.044 0.000 0.846 359 N CB -0.885 37.595 38.487 -0.012 0.000 1.010 359 N HN 0.493 nan 8.380 nan 0.000 0.425 360 T N 0.043 114.556 114.554 -0.069 0.000 2.867 360 T HA -0.010 4.337 4.350 -0.004 0.000 0.268 360 T C 2.121 176.729 174.700 -0.153 0.000 1.057 360 T CA 0.394 62.451 62.100 -0.072 0.000 1.136 360 T CB -0.510 68.340 68.868 -0.030 0.000 0.874 360 T HN 0.110 nan 8.240 nan 0.000 0.466 361 L N 0.757 121.822 121.223 -0.262 0.000 2.012 361 L HA -0.168 4.169 4.340 -0.004 0.000 0.210 361 L C 2.969 179.597 176.870 -0.404 0.000 1.073 361 L CA 2.193 56.717 54.840 -0.526 0.000 0.748 361 L CB -0.554 41.153 42.059 -0.587 0.000 0.891 361 L HN 0.313 nan 8.230 nan 0.000 0.431 362 Q N 0.349 119.988 119.800 -0.270 0.000 2.096 362 Q HA -0.289 4.048 4.340 -0.004 0.000 0.204 362 Q C 1.912 177.781 176.000 -0.219 0.000 0.982 362 Q CA 2.393 58.055 55.803 -0.236 0.000 0.850 362 Q CB -0.249 28.413 28.738 -0.126 0.000 0.901 362 Q HN 0.617 nan 8.270 nan 0.000 0.422 363 E N -0.311 119.806 120.200 -0.138 0.000 2.077 363 E HA -0.147 4.200 4.350 -0.004 0.000 0.193 363 E C 2.063 178.619 176.600 -0.072 0.000 0.989 363 E CA 1.409 57.761 56.400 -0.080 0.000 0.800 363 E CB -0.186 29.492 29.700 -0.037 0.000 0.746 363 E HN 0.468 nan 8.360 nan 0.000 0.452 364 I N 0.958 121.488 120.570 -0.067 0.000 2.252 364 I HA -0.220 3.947 4.170 -0.004 0.000 0.245 364 I C 2.595 178.704 176.117 -0.013 0.000 1.102 364 I CA 0.851 62.163 61.300 0.020 0.000 1.385 364 I CB -0.379 37.723 38.000 0.170 0.000 1.064 364 I HN 0.076 nan 8.210 nan 0.000 0.414 365 V N -0.983 118.835 119.914 -0.160 0.000 2.453 365 V HA -0.190 3.927 4.120 -0.004 0.000 0.247 365 V C 2.375 178.246 176.094 -0.370 0.000 1.048 365 V CA 1.896 64.034 62.300 -0.269 0.000 1.049 365 V CB -0.805 30.741 31.823 -0.461 0.000 0.672 365 V HN 0.371 nan 8.190 nan 0.000 0.457 366 E N 2.271 122.212 120.200 -0.432 0.000 2.047 366 E HA -0.020 4.328 4.350 -0.004 0.000 0.191 366 E C 2.181 178.814 176.600 0.055 0.000 0.987 366 E CA 2.010 58.343 56.400 -0.111 0.000 0.799 366 E CB -1.121 28.554 29.700 -0.042 0.000 0.752 366 E HN 0.544 nan 8.360 nan 0.000 0.449 367 G N 0.350 109.168 108.800 0.030 0.000 2.418 367 G HA2 -0.269 3.688 3.960 -0.004 0.000 0.217 367 G HA3 -0.269 3.688 3.960 -0.004 0.000 0.217 367 G C 1.677 176.661 174.900 0.140 0.000 1.158 367 G CA 1.096 46.245 45.100 0.082 0.000 0.771 367 G HN 0.252 nan 8.290 nan 0.000 0.545 368 M N 0.089 119.772 119.600 0.139 0.000 2.065 368 M HA -0.080 4.397 4.480 -0.004 0.000 0.259 368 M C 2.584 179.073 176.300 0.315 0.000 1.069 368 M CA 1.852 57.291 55.300 0.232 0.000 1.110 368 M CB -0.287 32.419 32.600 0.177 0.000 1.328 368 M HN 0.204 nan 8.290 nan 0.000 0.405 369 K N 0.145 120.704 120.400 0.266 0.000 2.063 369 K HA -0.264 4.054 4.320 -0.004 0.000 0.208 369 K C 1.977 178.780 176.600 0.338 0.000 1.048 369 K CA 1.812 58.305 56.287 0.343 0.000 0.928 369 K CB -0.094 32.615 32.500 0.348 0.000 0.713 369 K HN 0.201 nan 8.250 nan 0.000 0.442 370 Q N 0.738 120.681 119.800 0.239 0.000 2.096 370 Q HA -0.095 4.243 4.340 -0.004 0.000 0.204 370 Q C 1.108 177.199 176.000 0.151 0.000 0.982 370 Q CA 1.650 57.557 55.803 0.173 0.000 0.850 370 Q CB 0.206 29.026 28.738 0.137 0.000 0.901 370 Q HN 0.071 nan 8.270 nan 0.000 0.422 371 K N -0.507 120.012 120.400 0.198 0.000 2.469 371 K HA 0.096 4.414 4.320 -0.004 0.000 0.201 371 K C -0.152 176.489 176.600 0.067 0.000 1.028 371 K CA 0.006 56.399 56.287 0.177 0.000 1.170 371 K CB 0.610 33.297 32.500 0.311 0.000 0.874 371 K HN 0.269 nan 8.250 nan 0.000 0.507 372 M N -1.507 118.159 119.600 0.109 0.000 2.818 372 M HA -0.194 4.284 4.480 -0.004 0.000 0.204 372 M C -1.127 175.181 176.300 0.012 0.000 0.552 372 M CA 0.838 56.132 55.300 -0.010 0.000 0.687 372 M CB -2.611 29.822 32.600 -0.279 0.000 2.512 372 M HN 0.189 nan 8.290 nan 0.000 0.563 373 W N 0.770 122.232 121.300 0.271 0.000 2.335 373 W HA 0.551 5.208 4.660 -0.004 0.000 0.307 373 W C 1.007 177.639 176.519 0.189 0.000 1.117 373 W CA -0.321 57.141 57.345 0.194 0.000 1.228 373 W CB 1.096 30.619 29.460 0.105 0.000 1.240 373 W HN 0.240 nan 8.180 nan 0.000 0.468 374 S N 3.301 119.238 115.700 0.396 0.000 2.560 374 S HA 0.011 4.478 4.470 -0.004 0.000 0.284 374 S C 1.164 175.853 174.600 0.148 0.000 1.327 374 S CA -0.396 57.909 58.200 0.176 0.000 1.055 374 S CB 0.423 63.714 63.200 0.151 0.000 0.868 374 S HN 0.403 nan 8.310 nan 0.000 0.506 375 I N 4.096 124.708 120.570 0.070 0.000 3.001 375 I HA -0.037 4.130 4.170 -0.004 0.000 0.268 375 I C 2.052 178.206 176.117 0.061 0.000 1.267 375 I CA 0.902 62.254 61.300 0.087 0.000 1.472 375 I CB -1.702 36.364 38.000 0.111 0.000 1.089 375 I HN 0.762 nan 8.210 nan 0.000 0.468 376 E N 0.875 121.105 120.200 0.050 0.000 2.209 376 E HA -0.211 4.136 4.350 -0.004 0.000 0.196 376 E C 1.622 178.221 176.600 -0.001 0.000 0.993 376 E CA 0.902 57.319 56.400 0.028 0.000 0.819 376 E CB -0.109 29.608 29.700 0.029 0.000 0.745 376 E HN 0.540 nan 8.360 nan 0.000 0.477 377 N N 0.216 118.923 118.700 0.011 0.000 2.396 377 N HA -0.032 4.705 4.740 -0.004 0.000 0.180 377 N C 0.398 175.829 175.510 -0.132 0.000 1.028 377 N CA 0.581 53.605 53.050 -0.044 0.000 0.893 377 N CB 0.332 38.819 38.487 0.001 0.000 0.967 377 N HN 0.124 nan 8.380 nan 0.000 0.440 378 I N -0.161 120.328 120.570 -0.136 0.000 2.740 378 I HA 0.528 4.696 4.170 -0.004 0.000 0.303 378 I C -1.042 174.900 176.117 -0.292 0.000 1.044 378 I CA -0.823 60.306 61.300 -0.286 0.000 1.064 378 I CB 1.928 39.709 38.000 -0.366 0.000 1.249 378 I HN -0.089 nan 8.210 nan 0.000 0.433 379 A N 5.072 127.624 122.820 -0.447 0.000 2.532 379 A HA 0.858 5.176 4.320 -0.004 0.000 0.290 379 A C -1.737 175.438 177.584 -0.681 0.000 1.143 379 A CA -0.419 51.408 52.037 -0.349 0.000 0.728 379 A CB 0.903 19.818 19.000 -0.142 0.000 1.317 379 A HN 0.487 nan 8.150 nan 0.000 0.414 380 F N -0.333 119.529 119.950 -0.148 0.000 2.546 380 F HA 0.671 5.195 4.527 -0.004 0.000 0.320 380 F C 0.832 176.401 175.800 -0.385 0.000 1.076 380 F CA -0.292 57.573 58.000 -0.225 0.000 0.928 380 F CB 2.693 41.575 39.000 -0.197 0.000 1.189 380 F HN 0.752 nan 8.300 nan 0.000 0.465 381 G N 0.227 108.776 108.800 -0.418 0.000 2.495 381 G HA2 0.532 4.489 3.960 -0.004 0.000 0.318 381 G HA3 0.532 4.489 3.960 -0.004 0.000 0.318 381 G C -1.623 172.915 174.900 -0.602 0.000 1.257 381 G CA -0.717 43.701 45.100 -1.137 0.000 0.962 381 G HN 0.609 nan 8.290 nan 0.000 0.483 382 S N 0.272 115.704 115.700 -0.447 0.000 2.575 382 S HA 0.719 5.186 4.470 -0.004 0.000 0.278 382 S C 0.658 175.243 174.600 -0.024 0.000 1.139 382 S CA 0.194 58.304 58.200 -0.150 0.000 0.954 382 S CB 1.470 64.573 63.200 -0.161 0.000 1.054 382 S HN 1.030 nan 8.310 nan 0.000 0.483 383 G N 2.993 111.843 108.800 0.084 0.000 2.534 383 G HA2 0.348 4.305 3.960 -0.004 0.000 0.224 383 G HA3 0.348 4.305 3.960 -0.004 0.000 0.224 383 G C 1.302 176.247 174.900 0.075 0.000 1.822 383 G CA 0.493 45.668 45.100 0.126 0.000 0.805 383 G HN 0.982 nan 8.290 nan 0.000 0.649 384 G N 0.736 109.585 108.800 0.081 0.000 2.440 384 G HA2 0.059 4.017 3.960 -0.004 0.000 0.218 384 G HA3 0.059 4.017 3.960 -0.004 0.000 0.218 384 G C 1.757 176.694 174.900 0.061 0.000 1.154 384 G CA 1.604 46.748 45.100 0.073 0.000 0.767 384 G HN 0.737 nan 8.290 nan 0.000 0.552 385 G N 0.381 109.206 108.800 0.041 0.000 2.450 385 G HA2 -0.099 3.859 3.960 -0.004 0.000 0.220 385 G HA3 -0.099 3.859 3.960 -0.004 0.000 0.220 385 G C 1.681 176.591 174.900 0.018 0.000 1.130 385 G CA 1.071 46.188 45.100 0.029 0.000 0.760 385 G HN 0.413 nan 8.290 nan 0.000 0.557 386 L N -0.566 120.649 121.223 -0.014 0.000 2.145 386 L HA 0.380 4.718 4.340 -0.004 0.000 0.201 386 L C 2.306 179.170 176.870 -0.010 0.000 1.075 386 L CA 1.291 56.094 54.840 -0.062 0.000 0.773 386 L CB -0.030 41.917 42.059 -0.187 0.000 0.936 386 L HN 0.152 nan 8.230 nan 0.000 0.451 387 L N -1.814 119.434 121.223 0.042 0.000 2.672 387 L HA 0.195 4.532 4.340 -0.004 0.000 0.236 387 L C 1.770 178.789 176.870 0.248 0.000 1.092 387 L CA 0.159 55.077 54.840 0.132 0.000 0.887 387 L CB 0.310 42.438 42.059 0.114 0.000 1.168 387 L HN 0.298 nan 8.230 nan 0.000 0.502 388 Q N 0.688 120.590 119.800 0.171 0.000 2.532 388 Q HA 0.046 4.383 4.340 -0.004 0.000 0.247 388 Q C 1.145 177.244 176.000 0.164 0.000 0.872 388 Q CA 0.651 56.550 55.803 0.161 0.000 0.963 388 Q CB 0.526 29.326 28.738 0.104 0.000 1.159 388 Q HN 0.048 nan 8.270 nan 0.000 0.598 389 K N 1.282 121.760 120.400 0.131 0.000 2.737 389 K HA 0.260 4.578 4.320 -0.004 0.000 0.251 389 K C -1.198 175.482 176.600 0.135 0.000 1.280 389 K CA 0.056 56.410 56.287 0.111 0.000 1.219 389 K CB -0.728 31.820 32.500 0.079 0.000 1.587 389 K HN 0.151 nan 8.250 nan 0.000 0.279 390 L N 0.769 122.114 121.223 0.203 0.000 2.472 390 L HA 0.371 4.708 4.340 -0.004 0.000 0.260 390 L C -0.346 176.724 176.870 0.332 0.000 0.963 390 L CA -0.869 54.128 54.840 0.262 0.000 0.829 390 L CB 2.393 44.663 42.059 0.352 0.000 1.348 390 L HN 0.288 nan 8.230 nan 0.000 0.408 391 T N -2.237 112.399 114.554 0.136 0.000 2.887 391 T HA 0.379 4.727 4.350 -0.004 0.000 0.292 391 T C 0.556 174.872 174.700 -0.641 0.000 1.087 391 T CA -0.778 61.172 62.100 -0.250 0.000 1.009 391 T CB 2.147 70.885 68.868 -0.215 0.000 1.203 391 T HN 0.670 nan 8.240 nan 0.000 0.518 392 R N -0.195 119.522 120.500 -1.305 0.000 2.285 392 R HA -0.041 4.297 4.340 -0.004 0.000 0.213 392 R C 0.635 176.701 176.300 -0.390 0.000 1.068 392 R CA 1.387 56.852 56.100 -1.060 0.000 1.004 392 R CB -0.248 29.272 30.300 -1.299 0.000 0.873 392 R HN 0.645 nan 8.270 nan 0.000 0.467 393 D N 0.254 120.473 120.400 -0.301 0.000 2.348 393 D HA -0.094 4.543 4.640 -0.004 0.000 0.211 393 D C 1.650 177.887 176.300 -0.105 0.000 0.998 393 D CA 0.189 54.091 54.000 -0.164 0.000 0.873 393 D CB 0.248 40.965 40.800 -0.139 0.000 0.925 393 D HN 0.195 nan 8.370 nan 0.000 0.524 394 L N 0.459 121.618 121.223 -0.107 0.000 2.046 394 L HA -0.096 4.241 4.340 -0.004 0.000 0.208 394 L C 1.690 178.493 176.870 -0.112 0.000 1.077 394 L CA 1.642 56.416 54.840 -0.109 0.000 0.747 394 L CB -0.123 41.848 42.059 -0.147 0.000 0.896 394 L HN -0.046 nan 8.230 nan 0.000 0.432 395 L N -0.779 120.408 121.223 -0.060 0.000 2.769 395 L HA 0.237 4.574 4.340 -0.004 0.000 0.240 395 L C 0.510 177.369 176.870 -0.018 0.000 1.163 395 L CA -0.126 54.704 54.840 -0.016 0.000 0.962 395 L CB -0.294 41.793 42.059 0.046 0.000 1.258 395 L HN 0.313 nan 8.230 nan 0.000 0.513 396 N N 0.765 119.434 118.700 -0.051 0.000 2.725 396 N HA -0.175 4.562 4.740 -0.004 0.000 0.251 396 N C -0.344 175.093 175.510 -0.123 0.000 1.031 396 N CA 0.274 53.279 53.050 -0.076 0.000 0.720 396 N CB -1.448 37.009 38.487 -0.049 0.000 0.930 396 N HN 0.311 nan 8.380 nan 0.000 0.543 397 C N 0.165 119.391 119.300 -0.123 0.000 2.637 397 C HA 0.637 5.095 4.460 -0.004 0.000 0.418 397 C C 1.118 175.936 174.990 -0.287 0.000 1.319 397 C CA -0.473 58.392 59.018 -0.255 0.000 1.949 397 C CB 0.512 28.294 27.740 0.071 0.000 2.639 397 C HN 0.565 nan 8.230 nan 0.000 0.594 398 S N 1.817 117.201 115.700 -0.528 0.000 2.543 398 S HA 0.658 5.125 4.470 -0.004 0.000 0.271 398 S C -1.406 172.988 174.600 -0.342 0.000 1.148 398 S CA -0.434 57.593 58.200 -0.290 0.000 0.914 398 S CB 0.882 63.937 63.200 -0.241 0.000 1.096 398 S HN 0.622 nan 8.310 nan 0.000 0.471 399 F N 4.692 124.505 119.950 -0.228 0.000 2.467 399 F HA 0.771 5.295 4.527 -0.005 0.000 0.336 399 F C -0.507 175.173 175.800 -0.199 0.000 1.123 399 F CA -0.355 57.533 58.000 -0.186 0.000 0.964 399 F CB 0.917 39.969 39.000 0.086 0.000 1.136 399 F HN 0.407 nan 8.300 nan 0.000 0.447 400 K N 5.128 125.189 120.400 -0.565 0.000 2.502 400 K HA 0.261 4.578 4.320 -0.004 0.000 0.257 400 K C -1.459 175.026 176.600 -0.193 0.000 0.938 400 K CA -0.644 55.499 56.287 -0.241 0.000 0.819 400 K CB 1.654 34.057 32.500 -0.162 0.000 1.333 400 K HN 0.731 nan 8.250 nan 0.000 0.434 401 C N 2.319 121.649 119.300 0.050 0.000 2.629 401 C HA 0.223 4.681 4.460 -0.004 0.000 0.410 401 C C 1.601 176.745 174.990 0.257 0.000 1.339 401 C CA 0.402 59.516 59.018 0.161 0.000 1.810 401 C CB -1.232 26.631 27.740 0.203 0.000 2.549 401 C HN 0.840 nan 8.230 nan 0.000 0.589 402 S N 3.547 119.468 115.700 0.369 0.000 2.559 402 S HA 0.231 4.699 4.470 -0.004 0.000 0.226 402 S C -0.313 174.517 174.600 0.385 0.000 1.030 402 S CA -0.161 58.270 58.200 0.385 0.000 0.956 402 S CB 0.073 63.492 63.200 0.366 0.000 0.900 402 S HN 0.938 nan 8.310 nan 0.000 0.510 403 Y N 0.400 120.836 120.300 0.227 0.000 2.480 403 Y HA 0.630 5.177 4.550 -0.005 0.000 0.329 403 Y C -1.808 174.162 175.900 0.117 0.000 1.127 403 Y CA -0.867 57.292 58.100 0.098 0.000 1.037 403 Y CB 1.724 40.116 38.460 -0.114 0.000 1.320 403 Y HN 0.013 nan 8.280 nan 0.000 0.446 404 V N 5.727 125.321 119.914 -0.534 0.000 2.925 404 V HA 0.639 4.756 4.120 -0.004 0.000 0.311 404 V C -1.250 174.483 176.094 -0.601 0.000 1.104 404 V CA -0.951 61.114 62.300 -0.390 0.000 0.954 404 V CB 2.220 33.960 31.823 -0.139 0.000 1.022 404 V HN 0.585 nan 8.190 nan 0.000 0.427 405 V N 2.404 122.105 119.914 -0.354 0.000 2.448 405 V HA 0.685 4.802 4.120 -0.004 0.000 0.295 405 V C -0.185 175.817 176.094 -0.154 0.000 1.025 405 V CA -0.244 61.907 62.300 -0.248 0.000 0.859 405 V CB 1.935 33.674 31.823 -0.141 0.000 0.988 405 V HN 0.989 nan 8.190 nan 0.000 0.431 406 T N 4.007 118.484 114.554 -0.127 0.000 2.928 406 T HA 0.415 4.762 4.350 -0.004 0.000 0.296 406 T C 0.117 174.773 174.700 -0.073 0.000 1.000 406 T CA -0.537 61.502 62.100 -0.101 0.000 0.989 406 T CB 0.956 69.771 68.868 -0.088 0.000 1.005 406 T HN 0.679 nan 8.240 nan 0.000 0.442 407 N N 1.726 120.387 118.700 -0.065 0.000 2.735 407 N HA -0.220 4.518 4.740 -0.004 0.000 0.248 407 N C 1.138 176.627 175.510 -0.034 0.000 1.083 407 N CA 1.469 54.492 53.050 -0.045 0.000 0.703 407 N CB -1.274 37.190 38.487 -0.038 0.000 1.005 407 N HN 1.400 nan 8.380 nan 0.000 0.550 408 G N -1.554 107.226 108.800 -0.035 0.000 2.168 408 G HA2 -0.313 3.644 3.960 -0.004 0.000 0.263 408 G HA3 -0.313 3.644 3.960 -0.004 0.000 0.263 408 G C -0.141 174.748 174.900 -0.018 0.000 0.977 408 G CA 0.546 45.635 45.100 -0.020 0.000 0.659 408 G HN 0.404 nan 8.290 nan 0.000 0.533 409 L N 1.415 122.617 121.223 -0.035 0.000 2.305 409 L HA 0.654 4.991 4.340 -0.004 0.000 0.284 409 L C 0.956 177.782 176.870 -0.073 0.000 1.013 409 L CA 0.305 55.126 54.840 -0.032 0.000 0.819 409 L CB 0.975 43.016 42.059 -0.030 0.000 1.227 409 L HN 0.197 nan 8.230 nan 0.000 0.417 410 G N 5.646 114.420 108.800 -0.044 0.000 2.370 410 G HA2 0.530 4.488 3.960 -0.004 0.000 0.272 410 G HA3 0.530 4.488 3.960 -0.004 0.000 0.272 410 G C -0.431 174.416 174.900 -0.088 0.000 1.208 410 G CA -0.302 44.712 45.100 -0.142 0.000 0.856 410 G HN 0.629 nan 8.290 nan 0.000 0.500 411 I N -0.660 119.768 120.570 -0.237 0.000 2.647 411 I HA 0.464 4.631 4.170 -0.004 0.000 0.295 411 I C -0.943 175.195 176.117 0.036 0.000 1.078 411 I CA -1.476 59.797 61.300 -0.045 0.000 1.048 411 I CB 2.444 40.424 38.000 -0.034 0.000 1.239 411 I HN 0.114 nan 8.210 nan 0.000 0.421 412 N N 4.719 123.514 118.700 0.159 0.000 2.408 412 N HA 0.467 5.204 4.740 -0.004 0.000 0.257 412 N C -0.395 175.278 175.510 0.272 0.000 1.064 412 N CA -0.310 52.877 53.050 0.229 0.000 0.952 412 N CB 1.818 40.398 38.487 0.156 0.000 1.093 412 N HN 0.646 nan 8.380 nan 0.000 0.490 413 V N -0.047 120.045 119.914 0.296 0.000 3.019 413 V HA 0.972 5.089 4.120 -0.004 0.000 0.317 413 V C -0.505 175.865 176.094 0.460 0.000 1.094 413 V CA -0.877 61.611 62.300 0.314 0.000 1.000 413 V CB 1.441 33.347 31.823 0.137 0.000 1.060 413 V HN 0.578 nan 8.190 nan 0.000 0.443 414 F N -0.366 119.632 119.950 0.081 0.000 2.829 414 F HA 0.742 5.267 4.527 -0.004 0.000 0.319 414 F C -1.099 174.737 175.800 0.061 0.000 1.153 414 F CA -1.232 56.818 58.000 0.084 0.000 0.912 414 F CB 1.265 40.307 39.000 0.070 0.000 1.292 414 F HN 0.831 nan 8.300 nan 0.000 0.447 415 K N 0.235 120.628 120.400 -0.012 0.000 2.238 415 K HA 0.749 5.067 4.320 -0.004 0.000 0.239 415 K C -1.808 174.855 176.600 0.105 0.000 0.987 415 K CA -0.780 55.445 56.287 -0.104 0.000 0.857 415 K CB 2.280 34.766 32.500 -0.023 0.000 1.154 415 K HN 0.723 nan 8.250 nan 0.000 0.439 416 D N 1.289 121.721 120.400 0.054 0.000 3.036 416 D HA 0.273 4.910 4.640 -0.004 0.000 0.244 416 D C -2.657 173.682 176.300 0.066 0.000 1.337 416 D CA -1.072 53.013 54.000 0.142 0.000 0.829 416 D CB 0.656 41.637 40.800 0.302 0.000 1.478 416 D HN 0.351 nan 8.370 nan 0.000 0.570 417 P HA 0.021 nan 4.420 nan 0.000 0.267 417 P C 1.227 178.544 177.300 0.028 0.000 1.205 417 P CA -0.433 62.681 63.100 0.023 0.000 0.765 417 P CB 1.458 33.168 31.700 0.017 0.000 0.828 418 V N 3.388 123.314 119.914 0.021 0.000 2.380 418 V HA -0.284 3.833 4.120 -0.004 0.000 0.251 418 V C 1.636 177.741 176.094 0.019 0.000 1.063 418 V CA 2.788 65.100 62.300 0.021 0.000 1.055 418 V CB -0.901 30.931 31.823 0.015 0.000 0.657 418 V HN 0.702 nan 8.190 nan 0.000 0.455 419 A N -1.420 121.408 122.820 0.014 0.000 2.348 419 A HA 0.250 4.567 4.320 -0.004 0.000 0.224 419 A C 0.658 178.249 177.584 0.012 0.000 1.227 419 A CA 0.647 52.691 52.037 0.011 0.000 0.885 419 A CB -0.009 18.995 19.000 0.007 0.000 0.933 419 A HN 0.571 nan 8.150 nan 0.000 0.506 420 D N -1.039 119.371 120.400 0.016 0.000 2.527 420 D HA 0.246 4.883 4.640 -0.004 0.000 0.242 420 D C -2.470 173.845 176.300 0.025 0.000 1.285 420 D CA -1.293 52.717 54.000 0.017 0.000 0.886 420 D CB 1.128 41.935 40.800 0.011 0.000 1.402 420 D HN -0.097 nan 8.370 nan 0.000 0.528 421 P HA -0.119 nan 4.420 nan 0.000 0.220 421 P C 1.117 178.437 177.300 0.033 0.000 1.144 421 P CA 0.848 63.969 63.100 0.034 0.000 0.800 421 P CB 0.264 31.981 31.700 0.028 0.000 0.772 422 N N -0.008 118.707 118.700 0.024 0.000 2.381 422 N HA -0.130 4.608 4.740 -0.004 0.000 0.182 422 N C 1.292 176.813 175.510 0.020 0.000 1.025 422 N CA 1.053 54.114 53.050 0.019 0.000 0.888 422 N CB -0.342 38.152 38.487 0.011 0.000 0.965 422 N HN 0.016 nan 8.380 nan 0.000 0.438 423 K N 0.092 120.507 120.400 0.025 0.000 2.444 423 K HA 0.052 4.369 4.320 -0.004 0.000 0.193 423 K C 0.094 176.727 176.600 0.055 0.000 1.024 423 K CA -0.280 56.023 56.287 0.027 0.000 1.077 423 K CB 0.225 32.737 32.500 0.019 0.000 0.833 423 K HN 0.183 nan 8.250 nan 0.000 0.517 424 R N 2.366 122.910 120.500 0.073 0.000 2.502 424 R HA -0.025 4.312 4.340 -0.004 0.000 0.292 424 R C -0.156 176.226 176.300 0.137 0.000 0.998 424 R CA 0.245 56.417 56.100 0.120 0.000 1.056 424 R CB 0.440 30.803 30.300 0.105 0.000 0.939 424 R HN 0.033 nan 8.270 nan 0.000 0.411 425 S N 3.298 119.124 115.700 0.209 0.000 2.690 425 S HA 0.376 4.843 4.470 -0.004 0.000 0.291 425 S C -0.473 174.274 174.600 0.245 0.000 1.138 425 S CA -0.992 57.357 58.200 0.248 0.000 1.013 425 S CB 1.790 65.141 63.200 0.253 0.000 1.053 425 S HN 0.575 nan 8.310 nan 0.000 0.539 426 K N 0.808 121.346 120.400 0.229 0.000 2.202 426 K HA 0.298 4.615 4.320 -0.004 0.000 0.264 426 K C -0.405 176.212 176.600 0.028 0.000 1.010 426 K CA -0.321 55.959 56.287 -0.012 0.000 0.940 426 K CB 0.536 32.844 32.500 -0.319 0.000 0.983 426 K HN 0.540 nan 8.250 nan 0.000 0.475 427 K N 1.059 121.417 120.400 -0.071 0.000 2.235 427 K HA 0.399 4.717 4.320 -0.004 0.000 0.266 427 K C 0.091 176.681 176.600 -0.017 0.000 0.980 427 K CA -0.500 55.781 56.287 -0.011 0.000 0.849 427 K CB 1.696 34.096 32.500 -0.167 0.000 1.098 427 K HN 0.839 nan 8.250 nan 0.000 0.445 428 G N 2.231 111.082 108.800 0.085 0.000 2.642 428 G HA2 -0.289 3.668 3.960 -0.004 0.000 0.231 428 G HA3 -0.289 3.668 3.960 -0.004 0.000 0.231 428 G C -0.820 173.978 174.900 -0.170 0.000 1.338 428 G CA -0.771 44.349 45.100 0.032 0.000 0.883 428 G HN 0.633 nan 8.290 nan 0.000 0.570 429 R N -0.505 119.696 120.500 -0.499 0.000 2.491 429 R HA 0.498 4.835 4.340 -0.004 0.000 0.283 429 R C 0.331 176.469 176.300 -0.270 0.000 1.072 429 R CA 0.025 55.713 56.100 -0.686 0.000 1.048 429 R CB 0.235 30.008 30.300 -0.879 0.000 0.983 429 R HN 0.437 nan 8.270 nan 0.000 0.450 430 L N 1.303 122.485 121.223 -0.069 0.000 2.333 430 L HA 0.572 4.909 4.340 -0.004 0.000 0.269 430 L C -0.129 176.739 176.870 -0.002 0.000 1.010 430 L CA -0.793 54.020 54.840 -0.045 0.000 0.818 430 L CB 2.118 44.119 42.059 -0.095 0.000 1.306 430 L HN 0.743 nan 8.230 nan 0.000 0.430 431 S N 1.385 117.070 115.700 -0.024 0.000 2.556 431 S HA 0.704 5.172 4.470 -0.004 0.000 0.271 431 S C -1.256 173.254 174.600 -0.151 0.000 1.135 431 S CA -0.795 57.364 58.200 -0.069 0.000 0.858 431 S CB 2.311 65.538 63.200 0.045 0.000 1.114 431 S HN 0.427 nan 8.310 nan 0.000 0.468 432 L N 2.775 123.811 121.223 -0.311 0.000 2.307 432 L HA 0.651 4.989 4.340 -0.004 0.000 0.284 432 L C -0.816 175.788 176.870 -0.443 0.000 1.023 432 L CA 0.159 54.872 54.840 -0.211 0.000 0.810 432 L CB 0.743 42.759 42.059 -0.072 0.000 1.231 432 L HN 0.892 nan 8.230 nan 0.000 0.423 433 H N 2.835 121.936 119.070 0.051 0.000 2.946 433 H HA 0.493 5.046 4.556 -0.004 0.000 0.365 433 H C -0.810 174.556 175.328 0.064 0.000 1.197 433 H CA -1.134 54.948 56.048 0.056 0.000 1.131 433 H CB 1.758 31.525 29.762 0.008 0.000 1.849 433 H HN 0.339 nan 8.280 nan 0.000 0.555 434 R N 1.252 121.860 120.500 0.179 0.000 2.357 434 R HA 0.191 4.528 4.340 -0.004 0.000 0.296 434 R C 0.020 176.406 176.300 0.143 0.000 1.052 434 R CA -0.301 55.804 56.100 0.008 0.000 0.988 434 R CB 0.453 30.737 30.300 -0.027 0.000 1.025 434 R HN 0.796 nan 8.270 nan 0.000 0.469 435 T N 1.042 115.643 114.554 0.079 0.000 2.816 435 T HA 0.281 4.629 4.350 -0.004 0.000 0.282 435 T C -1.549 173.174 174.700 0.038 0.000 0.993 435 T CA -1.439 60.765 62.100 0.173 0.000 0.994 435 T CB 0.817 69.774 68.868 0.148 0.000 1.025 435 T HN 0.366 nan 8.240 nan 0.000 0.529 436 P HA 0.027 nan 4.420 nan 0.000 0.217 436 P C 1.120 178.397 177.300 -0.037 0.000 1.148 436 P CA 1.113 64.180 63.100 -0.055 0.000 0.828 436 P CB -0.257 31.391 31.700 -0.087 0.000 0.783 437 A N -1.184 121.622 122.820 -0.024 0.000 2.278 437 A HA 0.470 4.788 4.320 -0.004 0.000 0.212 437 A C 1.557 179.112 177.584 -0.047 0.000 1.213 437 A CA 0.576 52.596 52.037 -0.028 0.000 0.840 437 A CB -1.194 17.797 19.000 -0.014 0.000 0.866 437 A HN 0.237 nan 8.150 nan 0.000 0.489 438 G N -0.481 108.277 108.800 -0.069 0.000 2.136 438 G HA2 -0.280 3.677 3.960 -0.004 0.000 0.242 438 G HA3 -0.280 3.677 3.960 -0.004 0.000 0.242 438 G C 0.057 174.824 174.900 -0.223 0.000 0.989 438 G CA 0.401 45.421 45.100 -0.133 0.000 0.682 438 G HN 0.663 nan 8.290 nan 0.000 0.522 439 N N -1.150 117.455 118.700 -0.159 0.000 2.495 439 N HA 0.757 5.494 4.740 -0.004 0.000 0.294 439 N C -0.298 175.039 175.510 -0.289 0.000 1.276 439 N CA -0.545 52.408 53.050 -0.161 0.000 0.973 439 N CB 0.467 38.964 38.487 0.015 0.000 1.143 439 N HN 0.085 nan 8.380 nan 0.000 0.589 440 F N -0.032 119.949 119.950 0.051 0.000 2.458 440 F HA 0.646 5.170 4.527 -0.004 0.000 0.330 440 F C -0.027 175.789 175.800 0.028 0.000 1.082 440 F CA -0.780 57.250 58.000 0.050 0.000 0.995 440 F CB 1.525 40.552 39.000 0.044 0.000 1.170 440 F HN -0.034 nan 8.300 nan 0.000 0.478 441 V N 1.502 121.530 119.914 0.190 0.000 2.851 441 V HA 0.517 4.634 4.120 -0.004 0.000 0.307 441 V C -0.995 175.110 176.094 0.018 0.000 1.129 441 V CA -0.294 62.032 62.300 0.043 0.000 0.932 441 V CB 2.394 34.150 31.823 -0.111 0.000 1.024 441 V HN 0.763 nan 8.190 nan 0.000 0.426 442 T N 7.842 122.383 114.554 -0.022 0.000 2.733 442 T HA 0.522 4.869 4.350 -0.004 0.000 0.294 442 T C -0.224 174.422 174.700 -0.090 0.000 0.956 442 T CA -0.106 61.967 62.100 -0.046 0.000 0.987 442 T CB 0.455 69.279 68.868 -0.074 0.000 0.920 442 T HN 0.514 nan 8.240 nan 0.000 0.470 443 L N 3.927 125.116 121.223 -0.057 0.000 2.305 443 L HA 0.419 4.756 4.340 -0.004 0.000 0.281 443 L C 0.827 177.635 176.870 -0.103 0.000 1.085 443 L CA -0.494 54.282 54.840 -0.106 0.000 0.813 443 L CB 0.872 42.863 42.059 -0.114 0.000 1.157 443 L HN 0.590 nan 8.230 nan 0.000 0.436 444 E N 1.888 122.013 120.200 -0.124 0.000 2.254 444 E HA 0.244 4.592 4.350 -0.004 0.000 0.258 444 E C -0.266 176.260 176.600 -0.124 0.000 1.033 444 E CA -0.741 55.578 56.400 -0.136 0.000 0.893 444 E CB 0.943 30.557 29.700 -0.142 0.000 1.204 444 E HN 0.488 nan 8.360 nan 0.000 0.425 445 E N -0.441 119.682 120.200 -0.128 0.000 2.722 445 E HA -0.293 4.055 4.350 -0.004 0.000 0.265 445 E C 0.478 176.998 176.600 -0.134 0.000 1.081 445 E CA 0.283 56.615 56.400 -0.112 0.000 0.781 445 E CB -1.638 28.012 29.700 -0.084 0.000 1.372 445 E HN 0.994 nan 8.360 nan 0.000 0.423 446 G N 0.064 108.759 108.800 -0.176 0.000 2.168 446 G HA2 -0.419 3.538 3.960 -0.004 0.000 0.263 446 G HA3 -0.419 3.538 3.960 -0.004 0.000 0.263 446 G C 0.746 175.583 174.900 -0.106 0.000 0.977 446 G CA 0.855 45.848 45.100 -0.178 0.000 0.659 446 G HN 0.379 nan 8.290 nan 0.000 0.533 447 K N 0.240 120.586 120.400 -0.090 0.000 2.360 447 K HA -0.000 4.317 4.320 -0.004 0.000 0.201 447 K C 2.689 179.249 176.600 -0.066 0.000 1.046 447 K CA 0.816 57.061 56.287 -0.070 0.000 0.945 447 K CB -0.326 32.130 32.500 -0.073 0.000 0.750 447 K HN 0.434 nan 8.250 nan 0.000 0.464 448 G N 2.034 110.808 108.800 -0.044 0.000 2.475 448 G HA2 -0.268 3.689 3.960 -0.004 0.000 0.220 448 G HA3 -0.268 3.689 3.960 -0.004 0.000 0.220 448 G C 0.955 175.858 174.900 0.004 0.000 1.125 448 G CA 0.937 46.041 45.100 0.007 0.000 0.755 448 G HN 0.239 nan 8.290 nan 0.000 0.565 449 D N 0.387 120.778 120.400 -0.014 0.000 2.309 449 D HA -0.051 4.586 4.640 -0.004 0.000 0.212 449 D C 2.448 178.739 176.300 -0.014 0.000 0.968 449 D CA 0.342 54.333 54.000 -0.014 0.000 0.882 449 D CB -0.106 40.674 40.800 -0.034 0.000 0.918 449 D HN 0.349 nan 8.370 nan 0.000 0.503 450 L N 0.158 121.368 121.223 -0.022 0.000 2.376 450 L HA -0.027 4.310 4.340 -0.004 0.000 0.219 450 L C 0.632 177.493 176.870 -0.016 0.000 1.133 450 L CA 0.500 55.328 54.840 -0.019 0.000 0.816 450 L CB -0.340 41.708 42.059 -0.019 0.000 0.933 450 L HN -0.005 nan 8.230 nan 0.000 0.449 451 E N -0.728 119.464 120.200 -0.015 0.000 3.070 451 E HA -0.276 4.071 4.350 -0.004 0.000 0.285 451 E C 0.720 177.308 176.600 -0.021 0.000 0.972 451 E CA 0.699 57.096 56.400 -0.005 0.000 0.915 451 E CB -1.214 28.488 29.700 0.004 0.000 1.466 451 E HN 0.620 nan 8.360 nan 0.000 0.432 452 E N -0.949 119.234 120.200 -0.027 0.000 2.481 452 E HA -0.062 4.285 4.350 -0.004 0.000 0.195 452 E C 0.584 177.075 176.600 -0.183 0.000 1.047 452 E CA 0.613 56.963 56.400 -0.083 0.000 0.867 452 E CB 0.173 29.832 29.700 -0.067 0.000 0.858 452 E HN 0.380 nan 8.360 nan 0.000 0.513 453 Y N -0.287 119.907 120.300 -0.177 0.000 2.719 453 Y HA 0.260 4.808 4.550 -0.004 0.000 0.251 453 Y C 0.840 176.707 175.900 -0.054 0.000 1.159 453 Y CA -0.001 57.996 58.100 -0.172 0.000 1.166 453 Y CB 1.169 39.406 38.460 -0.371 0.000 1.219 453 Y HN 0.072 nan 8.280 nan 0.000 0.551 454 G N 0.519 109.374 108.800 0.091 0.000 2.598 454 G HA2 -0.209 3.748 3.960 -0.004 0.000 0.244 454 G HA3 -0.209 3.748 3.960 -0.004 0.000 0.244 454 G C -0.614 174.418 174.900 0.220 0.000 1.302 454 G CA -0.777 44.402 45.100 0.132 0.000 0.903 454 G HN 0.069 nan 8.290 nan 0.000 0.575 455 Q N 0.670 120.585 119.800 0.193 0.000 2.230 455 Q HA 0.392 4.729 4.340 -0.004 0.000 0.248 455 Q C 0.034 176.089 176.000 0.091 0.000 0.915 455 Q CA -0.724 55.170 55.803 0.152 0.000 0.900 455 Q CB 1.378 30.157 28.738 0.068 0.000 1.229 455 Q HN 0.673 nan 8.270 nan 0.000 0.439 456 D N 1.545 121.924 120.400 -0.035 0.000 2.583 456 D HA -0.093 4.544 4.640 -0.004 0.000 0.232 456 D C 0.689 176.837 176.300 -0.253 0.000 1.128 456 D CA 0.461 54.267 54.000 -0.323 0.000 0.859 456 D CB 0.675 41.366 40.800 -0.182 0.000 1.169 456 D HN 0.456 nan 8.370 nan 0.000 0.481 457 L N 3.276 124.343 121.223 -0.259 0.000 2.492 457 L HA 0.056 4.394 4.340 -0.004 0.000 0.223 457 L C 0.843 177.547 176.870 -0.277 0.000 1.132 457 L CA 0.016 54.754 54.840 -0.170 0.000 0.850 457 L CB -0.325 41.755 42.059 0.036 0.000 0.966 457 L HN 0.277 nan 8.230 nan 0.000 0.454 458 L N 0.094 121.170 121.223 -0.245 0.000 2.426 458 L HA 0.159 4.496 4.340 -0.004 0.000 0.271 458 L C 0.014 176.713 176.870 -0.285 0.000 1.169 458 L CA -0.026 54.706 54.840 -0.180 0.000 0.836 458 L CB 0.155 42.165 42.059 -0.081 0.000 1.112 458 L HN 0.111 nan 8.230 nan 0.000 0.465 459 H N 0.756 119.835 119.070 0.015 0.000 2.524 459 H HA 0.207 4.761 4.556 -0.005 0.000 0.353 459 H C -0.447 174.921 175.328 0.066 0.000 1.136 459 H CA -0.777 55.298 56.048 0.046 0.000 1.193 459 H CB 1.813 31.617 29.762 0.071 0.000 1.558 459 H HN 0.504 nan 8.280 nan 0.000 0.515 460 T N 2.616 117.271 114.554 0.168 0.000 2.792 460 T HA 0.027 4.375 4.350 -0.004 0.000 0.286 460 T C 1.655 176.440 174.700 0.143 0.000 0.970 460 T CA -0.005 62.178 62.100 0.137 0.000 1.187 460 T CB -0.014 68.912 68.868 0.096 0.000 0.915 460 T HN 0.534 nan 8.240 nan 0.000 0.529 461 V N 1.319 121.330 119.914 0.161 0.000 3.661 461 V HA 0.552 4.669 4.120 -0.004 0.000 0.271 461 V C 0.010 176.215 176.094 0.185 0.000 1.315 461 V CA -0.110 62.282 62.300 0.153 0.000 1.072 461 V CB -0.397 31.535 31.823 0.182 0.000 0.830 461 V HN 0.665 nan 8.190 nan 0.000 0.443 462 F N 0.950 120.911 119.950 0.018 0.000 2.604 462 F HA 0.730 5.255 4.527 -0.004 0.000 0.316 462 F C -0.894 174.910 175.800 0.007 0.000 1.136 462 F CA -0.739 57.263 58.000 0.002 0.000 0.989 462 F CB 1.665 40.658 39.000 -0.012 0.000 1.258 462 F HN -0.067 nan 8.300 nan 0.000 0.451 463 K N 5.070 125.256 120.400 -0.357 0.000 2.588 463 K HA 0.333 4.650 4.320 -0.004 0.000 0.250 463 K C -0.854 175.506 176.600 -0.398 0.000 0.972 463 K CA -0.627 55.533 56.287 -0.210 0.000 0.821 463 K CB 1.238 33.689 32.500 -0.083 0.000 1.249 463 K HN 0.873 nan 8.250 nan 0.000 0.442 464 N N 2.754 121.285 118.700 -0.283 0.000 2.725 464 N HA -0.246 4.491 4.740 -0.004 0.000 0.251 464 N C 0.362 175.728 175.510 -0.240 0.000 1.031 464 N CA 0.677 53.584 53.050 -0.238 0.000 0.720 464 N CB -0.826 37.541 38.487 -0.200 0.000 0.930 464 N HN 1.063 nan 8.380 nan 0.000 0.543 465 G N -0.999 107.526 108.800 -0.459 0.000 2.159 465 G HA2 -0.351 3.606 3.960 -0.004 0.000 0.256 465 G HA3 -0.351 3.606 3.960 -0.004 0.000 0.256 465 G C -0.104 174.564 174.900 -0.388 0.000 0.977 465 G CA 0.764 45.702 45.100 -0.269 0.000 0.652 465 G HN 0.480 nan 8.290 nan 0.000 0.531 466 K N -0.040 119.957 120.400 -0.672 0.000 2.324 466 K HA 0.603 4.920 4.320 -0.004 0.000 0.253 466 K C -0.060 176.283 176.600 -0.429 0.000 0.932 466 K CA -0.947 55.110 56.287 -0.383 0.000 0.799 466 K CB 2.974 35.354 32.500 -0.201 0.000 1.154 466 K HN 0.006 nan 8.250 nan 0.000 0.425 467 V N 2.896 122.715 119.914 -0.159 0.000 2.470 467 V HA 0.002 4.120 4.120 -0.004 0.000 0.276 467 V C 1.219 177.276 176.094 -0.062 0.000 1.040 467 V CA 0.352 62.630 62.300 -0.036 0.000 1.008 467 V CB 0.739 32.575 31.823 0.021 0.000 0.990 467 V HN 1.040 nan 8.190 nan 0.000 0.477 468 T N 0.839 115.369 114.554 -0.041 0.000 3.023 468 T HA 0.283 4.631 4.350 -0.004 0.000 0.253 468 T C 0.408 175.078 174.700 -0.050 0.000 1.038 468 T CA -0.183 61.889 62.100 -0.047 0.000 0.962 468 T CB 0.390 69.237 68.868 -0.035 0.000 1.018 468 T HN 0.364 nan 8.240 nan 0.000 0.521 469 K N 0.597 120.961 120.400 -0.060 0.000 2.557 469 K HA 0.650 4.968 4.320 -0.004 0.000 0.257 469 K C -1.814 174.659 176.600 -0.211 0.000 0.933 469 K CA -0.224 55.971 56.287 -0.153 0.000 0.820 469 K CB 2.476 34.916 32.500 -0.099 0.000 1.330 469 K HN 0.100 nan 8.250 nan 0.000 0.432 470 S N 1.652 117.105 115.700 -0.413 0.000 2.588 470 S HA 0.737 5.205 4.470 -0.004 0.000 0.275 470 S C -1.745 172.484 174.600 -0.618 0.000 1.130 470 S CA -0.520 57.489 58.200 -0.318 0.000 0.855 470 S CB 1.160 64.268 63.200 -0.153 0.000 1.116 470 S HN 0.395 nan 8.310 nan 0.000 0.472 471 Y N 0.805 121.180 120.300 0.126 0.000 2.477 471 Y HA 0.507 5.055 4.550 -0.004 0.000 0.347 471 Y C 0.577 176.626 175.900 0.249 0.000 0.981 471 Y CA -0.884 57.313 58.100 0.160 0.000 1.033 471 Y CB 1.676 40.241 38.460 0.174 0.000 1.245 471 Y HN 0.684 nan 8.280 nan 0.000 0.455 472 S N 0.973 116.870 115.700 0.328 0.000 2.645 472 S HA 0.213 4.680 4.470 -0.004 0.000 0.266 472 S C 0.541 175.363 174.600 0.371 0.000 1.258 472 S CA -0.468 57.925 58.200 0.322 0.000 0.990 472 S CB 0.585 63.909 63.200 0.206 0.000 0.967 472 S HN 0.658 nan 8.310 nan 0.000 0.556 473 F N 1.142 121.211 119.950 0.198 0.000 2.293 473 F HA -0.017 4.507 4.527 -0.005 0.000 0.300 473 F C 1.751 177.559 175.800 0.012 0.000 1.086 473 F CA 1.457 59.493 58.000 0.060 0.000 1.375 473 F CB -0.393 38.626 39.000 0.032 0.000 1.045 473 F HN 0.623 nan 8.300 nan 0.000 0.516 474 D N 0.180 120.660 120.400 0.133 0.000 2.117 474 D HA -0.182 4.455 4.640 -0.004 0.000 0.197 474 D C 2.032 178.323 176.300 -0.015 0.000 0.987 474 D CA 1.483 55.504 54.000 0.034 0.000 0.829 474 D CB -0.408 40.438 40.800 0.076 0.000 0.961 474 D HN 0.463 nan 8.370 nan 0.000 0.460 475 E N 0.395 120.626 120.200 0.052 0.000 2.072 475 E HA -0.097 4.250 4.350 -0.004 0.000 0.191 475 E C 2.400 178.998 176.600 -0.003 0.000 0.985 475 E CA 0.367 56.810 56.400 0.073 0.000 0.801 475 E CB -0.025 29.793 29.700 0.196 0.000 0.750 475 E HN 0.293 nan 8.360 nan 0.000 0.452 476 I N 0.922 121.445 120.570 -0.078 0.000 2.163 476 I HA -0.310 3.857 4.170 -0.004 0.000 0.243 476 I C 2.548 178.469 176.117 -0.327 0.000 1.085 476 I CA 1.283 62.449 61.300 -0.222 0.000 1.347 476 I CB -0.247 37.540 38.000 -0.356 0.000 1.044 476 I HN 0.020 nan 8.210 nan 0.000 0.408 477 R N 0.704 120.938 120.500 -0.445 0.000 2.083 477 R HA -0.231 4.106 4.340 -0.004 0.000 0.237 477 R C 2.366 178.528 176.300 -0.229 0.000 1.137 477 R CA 1.737 57.599 56.100 -0.396 0.000 0.951 477 R CB -0.364 29.710 30.300 -0.377 0.000 0.851 477 R HN 0.325 nan 8.270 nan 0.000 0.434 478 K N 0.617 120.928 120.400 -0.149 0.000 2.057 478 K HA -0.147 4.170 4.320 -0.004 0.000 0.207 478 K C 1.644 178.194 176.600 -0.084 0.000 1.049 478 K CA 1.630 57.862 56.287 -0.091 0.000 0.931 478 K CB -0.010 32.466 32.500 -0.039 0.000 0.714 478 K HN 0.068 nan 8.250 nan 0.000 0.440 479 N N 0.601 119.265 118.700 -0.060 0.000 2.223 479 N HA -0.134 4.604 4.740 -0.004 0.000 0.185 479 N C 1.304 176.756 175.510 -0.096 0.000 1.016 479 N CA 1.433 54.459 53.050 -0.041 0.000 0.863 479 N CB -0.195 38.355 38.487 0.106 0.000 0.983 479 N HN 0.349 nan 8.380 nan 0.000 0.429 480 A N 0.367 123.112 122.820 -0.126 0.000 2.275 480 A HA 0.090 4.407 4.320 -0.004 0.000 0.212 480 A C 0.780 178.272 177.584 -0.153 0.000 1.201 480 A CA -0.195 51.758 52.037 -0.140 0.000 0.843 480 A CB -0.098 18.785 19.000 -0.196 0.000 0.873 480 A HN 0.245 nan 8.150 nan 0.000 0.492 481 Q N 0.006 119.717 119.800 -0.147 0.000 2.414 481 Q HA 0.202 4.539 4.340 -0.004 0.000 0.288 481 Q C -0.384 175.545 176.000 -0.117 0.000 1.086 481 Q CA 0.297 56.015 55.803 -0.141 0.000 0.943 481 Q CB 0.424 29.093 28.738 -0.116 0.000 1.282 481 Q HN 0.533 nan 8.270 nan 0.000 0.438 482 L N 2.098 123.251 121.223 -0.117 0.000 2.453 482 L HA 0.010 4.347 4.340 -0.004 0.000 0.261 482 L C 1.479 178.306 176.870 -0.071 0.000 1.179 482 L CA -0.703 54.084 54.840 -0.089 0.000 0.813 482 L CB 0.238 42.243 42.059 -0.091 0.000 1.110 482 L HN 0.718 nan 8.230 nan 0.000 0.466 483 N N 1.043 119.710 118.700 -0.054 0.000 2.037 483 N HA -0.184 4.554 4.740 -0.004 0.000 0.196 483 N C 0.674 176.157 175.510 -0.045 0.000 1.034 483 N CA 1.304 54.327 53.050 -0.045 0.000 0.861 483 N CB -0.311 38.155 38.487 -0.035 0.000 1.039 483 N HN 0.489 nan 8.380 nan 0.000 0.427 484 I N 0.000 120.543 120.570 -0.045 0.000 2.984 484 I HA 0.000 4.167 4.170 -0.004 0.000 0.288 484 I CA 0.000 61.275 61.300 -0.042 0.000 1.566 484 I CB 0.000 37.976 38.000 -0.040 0.000 1.214 484 I HN 0.000 nan 8.210 nan 0.000 0.494