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 2jkb_1_A DATA FIRST_RESID 37 DATA SEQUENCE LSISPIFQGG SYQLNNKSID ISSLLLDKLS GESQTVVMKF KADKPNSLQA DATA SEQUENCE LFGLSNSKAG FKNNYFSIFM RDSGEIGVEI RDAQKGINYL FSRPASLWGK DATA SEQUENCE HKGQAVENTL VFVSDSKDKT YTMYVNGIEV FSETVDTFLP ISNINGIDKA DATA SEQUENCE TLGAVNREGK EHYLAKGSID EISLFNKAIS DQEVSTIPLS NPFQLIFQSG DATA SEQUENCE DSTQANYFRI PTLYTLSSGR VLSSIDARYG GTHDSKSKIN IATSYSDDNG DATA SEQUENCE KTWSEPIFAM KFNDYEEQLV YWPRDNKLKN SQISGSASFI DSSIVEDKKS DATA SEQUENCE GKTILLADVM PAGIGNNNAN KADSGFKEIN GHYYLKLKKN GDNDFRYTVR DATA SEQUENCE ENGVVYNETT NKPTNYTIND KYEVLEGGKS LTVEQYSVDF DSGSLRERHN DATA SEQUENCE GKQVPMNVFY KDSLFKVTPT NYIAMTTSQN RGESWEQFKL LPPFLGEKHN DATA SEQUENCE GTYLCPGQGL ALKSSNRLIF ATYTSGELTY LISDDSGQTW KKSSASIPFK DATA SEQUENCE NATAEAQMVE LRDGVIRTFF RTTTGKIAYM TSRDSGETWS KVSYIDGIQQ DATA SEQUENCE TSYGTQVSAI KYSQLIDGKE AVILSTPNSR SGRKGGQLVV GLVNKEDDSI DATA SEQUENCE DWKYHYDIDL PSYGYAYSAI TELPNHHIGV LFEKYDSWSR NELHLSNVVQ DATA SEQUENCE YIDLEINDLT K 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 37 L HA 0.000 nan 4.340 nan 0.000 0.249 37 L C 0.000 176.829 176.870 -0.069 0.000 1.165 37 L CA 0.000 54.769 54.840 -0.119 0.000 0.813 37 L CB 0.000 41.935 42.059 -0.207 0.000 0.961 38 S N 1.282 116.936 115.700 -0.077 0.000 2.555 38 S HA 0.282 4.739 4.470 -0.021 0.000 0.230 38 S C 0.208 174.808 174.600 -0.001 0.000 0.978 38 S CA 0.537 58.715 58.200 -0.037 0.000 0.934 38 S CB -0.031 63.143 63.200 -0.044 0.000 0.766 38 S HN 0.402 nan 8.310 nan 0.000 0.533 39 I N -0.060 120.523 120.570 0.021 0.000 2.913 39 I HA 0.325 4.482 4.170 -0.021 0.000 0.302 39 I C -0.917 175.334 176.117 0.224 0.000 1.246 39 I CA -0.581 60.781 61.300 0.102 0.000 1.010 39 I CB 2.154 40.223 38.000 0.116 0.000 1.259 39 I HN -0.102 nan 8.210 nan 0.000 0.434 40 S N 5.608 121.427 115.700 0.199 0.000 2.601 40 S HA 0.440 4.898 4.470 -0.021 0.000 0.271 40 S C -2.497 172.201 174.600 0.164 0.000 1.305 40 S CA -0.781 57.537 58.200 0.196 0.000 1.022 40 S CB 0.775 64.027 63.200 0.088 0.000 0.940 40 S HN 0.385 nan 8.310 nan 0.000 0.525 41 P HA 0.195 nan 4.420 nan 0.000 0.271 41 P C 0.849 178.018 177.300 -0.218 0.000 1.216 41 P CA -0.352 62.421 63.100 -0.545 0.000 0.776 41 P CB 0.238 31.575 31.700 -0.606 0.000 0.881 42 I N -0.797 119.668 120.570 -0.176 0.000 2.761 42 I HA 0.239 4.396 4.170 -0.021 0.000 0.261 42 I C 0.086 176.257 176.117 0.089 0.000 1.198 42 I CA 0.978 62.273 61.300 -0.008 0.000 1.482 42 I CB -0.122 37.900 38.000 0.037 0.000 1.100 42 I HN 0.081 nan 8.210 nan 0.000 0.445 43 F N 1.585 121.452 119.950 -0.138 0.000 2.615 43 F HA 0.571 5.085 4.527 -0.022 0.000 0.312 43 F C -1.197 174.545 175.800 -0.096 0.000 1.119 43 F CA -0.616 57.344 58.000 -0.067 0.000 0.979 43 F CB 1.483 40.477 39.000 -0.009 0.000 1.266 43 F HN 0.038 nan 8.300 nan 0.000 0.444 44 Q N 3.945 123.171 119.800 -0.957 0.000 2.309 44 Q HA 0.715 5.042 4.340 -0.021 0.000 0.273 44 Q C -1.511 173.991 176.000 -0.830 0.000 1.040 44 Q CA -0.789 54.570 55.803 -0.740 0.000 0.834 44 Q CB 2.456 30.990 28.738 -0.340 0.000 1.345 44 Q HN 1.129 nan 8.270 nan 0.000 0.414 45 G N 0.528 109.030 108.800 -0.497 0.000 2.684 45 G HA2 0.840 4.787 3.960 -0.021 0.000 0.290 45 G HA3 0.840 4.787 3.960 -0.021 0.000 0.290 45 G C -1.221 173.674 174.900 -0.009 0.000 1.425 45 G CA -0.180 44.824 45.100 -0.159 0.000 0.822 45 G HN 0.800 nan 8.290 nan 0.000 0.482 46 G N -1.807 106.801 108.800 -0.320 0.000 2.606 46 G HA2 0.565 4.513 3.960 -0.021 0.000 0.300 46 G HA3 0.565 4.513 3.960 -0.021 0.000 0.300 46 G C 0.050 174.608 174.900 -0.570 0.000 1.360 46 G CA 0.693 45.616 45.100 -0.295 0.000 0.783 46 G HN 1.716 nan 8.290 nan 0.000 0.484 47 S N -1.253 114.306 115.700 -0.235 0.000 3.549 47 S HA -0.205 4.253 4.470 -0.021 0.000 0.366 47 S C -0.326 174.174 174.600 -0.167 0.000 1.012 47 S CA 1.049 59.156 58.200 -0.154 0.000 1.141 47 S CB -1.798 61.321 63.200 -0.136 0.000 0.910 47 S HN 0.646 nan 8.310 nan 0.000 0.471 48 Y N 1.099 121.457 120.300 0.097 0.000 2.350 48 Y HA 0.419 4.956 4.550 -0.022 0.000 0.340 48 Y C 0.887 176.846 175.900 0.099 0.000 1.006 48 Y CA -0.721 57.440 58.100 0.102 0.000 1.166 48 Y CB 0.583 39.120 38.460 0.127 0.000 1.168 48 Y HN 0.208 nan 8.280 nan 0.000 0.502 49 Q N 4.481 124.414 119.800 0.222 0.000 2.294 49 Q HA 0.342 4.669 4.340 -0.021 0.000 0.257 49 Q C -0.776 175.316 176.000 0.153 0.000 0.955 49 Q CA -0.253 55.646 55.803 0.160 0.000 0.936 49 Q CB 1.574 30.378 28.738 0.111 0.000 1.188 49 Q HN 0.719 nan 8.270 nan 0.000 0.420 50 L N 3.412 124.718 121.223 0.139 0.000 2.287 50 L HA 0.349 4.676 4.340 -0.021 0.000 0.280 50 L C 0.191 177.113 176.870 0.086 0.000 1.055 50 L CA -0.368 54.537 54.840 0.108 0.000 0.863 50 L CB 0.322 42.447 42.059 0.108 0.000 1.245 50 L HN 0.305 nan 8.230 nan 0.000 0.432 51 N N 3.519 122.261 118.700 0.070 0.000 3.040 51 N HA 0.134 4.862 4.740 -0.021 0.000 0.305 51 N C -0.287 175.246 175.510 0.038 0.000 1.611 51 N CA -0.247 52.836 53.050 0.054 0.000 1.049 51 N CB 0.600 39.118 38.487 0.051 0.000 1.342 51 N HN 0.516 nan 8.380 nan 0.000 0.497 52 N N 0.818 119.540 118.700 0.036 0.000 2.727 52 N HA -0.244 4.483 4.740 -0.021 0.000 0.249 52 N C -0.697 174.818 175.510 0.009 0.000 1.048 52 N CA 0.931 53.993 53.050 0.019 0.000 0.714 52 N CB -0.541 37.954 38.487 0.012 0.000 0.959 52 N HN 0.486 nan 8.380 nan 0.000 0.544 53 K N 0.388 120.798 120.400 0.017 0.000 2.616 53 K HA 0.248 4.555 4.320 -0.021 0.000 0.255 53 K C -0.500 176.109 176.600 0.014 0.000 0.995 53 K CA -0.548 55.745 56.287 0.010 0.000 0.860 53 K CB 0.958 33.469 32.500 0.018 0.000 1.264 53 K HN 0.169 nan 8.250 nan 0.000 0.451 54 S N 3.889 119.587 115.700 -0.003 0.000 2.573 54 S HA 0.340 4.798 4.470 -0.021 0.000 0.277 54 S C 0.354 174.952 174.600 -0.003 0.000 1.346 54 S CA -0.419 57.774 58.200 -0.012 0.000 1.034 54 S CB 0.408 63.587 63.200 -0.034 0.000 0.879 54 S HN 0.493 nan 8.310 nan 0.000 0.528 55 I N 1.576 122.136 120.570 -0.017 0.000 2.389 55 I HA 0.278 4.435 4.170 -0.021 0.000 0.288 55 I C -0.556 175.532 176.117 -0.047 0.000 0.999 55 I CA -0.681 60.614 61.300 -0.009 0.000 1.129 55 I CB 1.669 39.671 38.000 0.004 0.000 1.288 55 I HN 0.650 nan 8.210 nan 0.000 0.444 56 D N 7.226 127.612 120.400 -0.024 0.000 2.295 56 D HA 0.296 4.923 4.640 -0.021 0.000 0.248 56 D C 0.427 176.707 176.300 -0.033 0.000 1.154 56 D CA -0.248 53.727 54.000 -0.042 0.000 0.857 56 D CB 0.936 41.721 40.800 -0.025 0.000 1.117 56 D HN 0.531 nan 8.370 nan 0.000 0.468 57 I N 0.556 121.077 120.570 -0.081 0.000 3.856 57 I HA 0.234 4.391 4.170 -0.021 0.000 0.330 57 I C 1.013 177.053 176.117 -0.129 0.000 1.546 57 I CA -0.565 60.679 61.300 -0.093 0.000 1.132 57 I CB 0.458 38.347 38.000 -0.185 0.000 1.157 57 I HN 0.041 nan 8.210 nan 0.000 0.440 58 S N 2.041 117.688 115.700 -0.089 0.000 2.359 58 S HA -0.224 4.233 4.470 -0.021 0.000 0.223 58 S C 2.212 176.780 174.600 -0.053 0.000 1.039 58 S CA 2.326 60.480 58.200 -0.078 0.000 1.042 58 S CB -0.348 62.819 63.200 -0.055 0.000 0.915 58 S HN 0.824 nan 8.310 nan 0.000 0.439 59 S N 1.503 117.190 115.700 -0.022 0.000 2.447 59 S HA 0.066 4.524 4.470 -0.021 0.000 0.233 59 S C 1.706 176.318 174.600 0.021 0.000 1.006 59 S CA 0.702 58.904 58.200 0.004 0.000 0.957 59 S CB -0.546 62.666 63.200 0.021 0.000 0.773 59 S HN 0.437 nan 8.310 nan 0.000 0.507 60 L N -0.629 120.605 121.223 0.018 0.000 2.270 60 L HA 0.262 4.590 4.340 -0.021 0.000 0.210 60 L C 2.312 179.192 176.870 0.018 0.000 1.104 60 L CA 0.501 55.391 54.840 0.084 0.000 0.804 60 L CB -0.179 42.013 42.059 0.221 0.000 0.937 60 L HN 0.324 nan 8.230 nan 0.000 0.450 61 L N -1.482 119.654 121.223 -0.145 0.000 2.526 61 L HA 0.149 4.476 4.340 -0.021 0.000 0.210 61 L C 1.986 178.824 176.870 -0.055 0.000 1.048 61 L CA 1.061 55.792 54.840 -0.182 0.000 0.852 61 L CB -0.054 41.751 42.059 -0.424 0.000 1.128 61 L HN -0.031 nan 8.230 nan 0.000 0.482 62 L N 0.703 121.897 121.223 -0.049 0.000 2.012 62 L HA -0.196 4.131 4.340 -0.021 0.000 0.210 62 L C 1.871 178.744 176.870 0.004 0.000 1.073 62 L CA 1.800 56.630 54.840 -0.018 0.000 0.748 62 L CB -0.853 41.191 42.059 -0.025 0.000 0.891 62 L HN 0.466 nan 8.230 nan 0.000 0.431 63 D N -0.985 119.419 120.400 0.008 0.000 2.378 63 D HA -0.139 4.488 4.640 -0.021 0.000 0.227 63 D C 1.571 177.889 176.300 0.029 0.000 1.012 63 D CA 0.659 54.669 54.000 0.018 0.000 0.905 63 D CB -0.120 40.690 40.800 0.017 0.000 0.895 63 D HN 0.158 nan 8.370 nan 0.000 0.532 64 K N -0.018 120.404 120.400 0.037 0.000 2.361 64 K HA 0.212 4.519 4.320 -0.021 0.000 0.194 64 K C 0.747 177.379 176.600 0.053 0.000 1.032 64 K CA -0.194 56.124 56.287 0.051 0.000 1.048 64 K CB 0.522 33.066 32.500 0.074 0.000 0.842 64 K HN 0.270 nan 8.250 nan 0.000 0.526 65 L N 2.593 123.845 121.223 0.049 0.000 2.410 65 L HA 0.043 4.370 4.340 -0.021 0.000 0.273 65 L C 0.255 177.156 176.870 0.051 0.000 1.152 65 L CA 0.014 54.888 54.840 0.057 0.000 0.855 65 L CB 0.530 42.624 42.059 0.058 0.000 1.129 65 L HN 0.066 nan 8.230 nan 0.000 0.463 66 S N 1.457 117.191 115.700 0.057 0.000 2.547 66 S HA 0.859 5.317 4.470 -0.021 0.000 0.270 66 S C -0.288 174.346 174.600 0.058 0.000 1.150 66 S CA -0.342 57.889 58.200 0.052 0.000 0.850 66 S CB 1.761 64.987 63.200 0.044 0.000 1.118 66 S HN 1.217 nan 8.310 nan 0.000 0.461 67 G N 1.408 110.240 108.800 0.054 0.000 2.829 67 G HA2 -0.137 3.810 3.960 -0.021 0.000 0.628 67 G HA3 -0.137 3.810 3.960 -0.021 0.000 0.628 67 G C -0.076 174.871 174.900 0.078 0.000 1.412 67 G CA 0.120 45.254 45.100 0.057 0.000 0.864 67 G HN 0.860 nan 8.290 nan 0.000 0.544 68 E N -0.413 119.837 120.200 0.083 0.000 2.472 68 E HA 0.227 4.565 4.350 -0.021 0.000 0.196 68 E C 0.597 177.305 176.600 0.181 0.000 1.033 68 E CA 0.596 57.083 56.400 0.146 0.000 0.886 68 E CB 0.347 30.131 29.700 0.140 0.000 0.944 68 E HN 0.328 nan 8.360 nan 0.000 0.492 69 S N 0.793 116.550 115.700 0.095 0.000 2.482 69 S HA 0.489 4.947 4.470 -0.021 0.000 0.303 69 S C -0.586 174.067 174.600 0.088 0.000 1.091 69 S CA -0.700 57.544 58.200 0.074 0.000 1.057 69 S CB 1.836 65.027 63.200 -0.015 0.000 1.031 69 S HN -0.023 nan 8.310 nan 0.000 0.485 70 Q N 0.685 120.543 119.800 0.096 0.000 2.416 70 Q HA 0.625 4.953 4.340 -0.021 0.000 0.281 70 Q C -1.291 174.769 176.000 0.100 0.000 1.067 70 Q CA -0.500 55.372 55.803 0.114 0.000 0.809 70 Q CB 2.327 31.136 28.738 0.118 0.000 1.418 70 Q HN 0.593 nan 8.270 nan 0.000 0.411 71 T N 0.460 115.121 114.554 0.177 0.000 2.824 71 T HA 0.658 4.995 4.350 -0.021 0.000 0.282 71 T C -1.030 173.854 174.700 0.306 0.000 0.993 71 T CA -0.561 61.654 62.100 0.190 0.000 0.967 71 T CB 1.148 70.086 68.868 0.117 0.000 0.960 71 T HN 0.286 nan 8.240 nan 0.000 0.441 72 V N 3.587 123.670 119.914 0.282 0.000 2.417 72 V HA 0.523 4.631 4.120 -0.021 0.000 0.291 72 V C -0.323 175.924 176.094 0.256 0.000 1.024 72 V CA -0.716 61.722 62.300 0.231 0.000 0.861 72 V CB 1.698 33.613 31.823 0.152 0.000 0.985 72 V HN 0.709 nan 8.190 nan 0.000 0.436 73 V N 6.294 126.363 119.914 0.258 0.000 2.378 73 V HA 0.559 4.666 4.120 -0.021 0.000 0.288 73 V C -0.227 175.988 176.094 0.203 0.000 1.016 73 V CA -0.349 62.093 62.300 0.237 0.000 0.840 73 V CB 1.540 33.525 31.823 0.270 0.000 0.994 73 V HN 0.909 nan 8.190 nan 0.000 0.431 74 M N 5.184 124.915 119.600 0.218 0.000 2.263 74 M HA 0.555 5.022 4.480 -0.021 0.000 0.295 74 M C -1.216 175.276 176.300 0.321 0.000 1.028 74 M CA -0.567 54.884 55.300 0.252 0.000 0.921 74 M CB 1.906 34.645 32.600 0.231 0.000 1.601 74 M HN 0.494 nan 8.290 nan 0.000 0.440 75 K N 5.511 126.078 120.400 0.279 0.000 2.265 75 K HA 0.613 4.921 4.320 -0.021 0.000 0.267 75 K C -1.464 175.322 176.600 0.309 0.000 0.994 75 K CA -0.338 56.085 56.287 0.226 0.000 0.860 75 K CB 1.274 33.854 32.500 0.133 0.000 1.099 75 K HN 0.570 nan 8.250 nan 0.000 0.448 76 F N -0.287 119.745 119.950 0.136 0.000 2.645 76 F HA 0.572 5.085 4.527 -0.022 0.000 0.310 76 F C -1.387 174.501 175.800 0.147 0.000 1.102 76 F CA -1.212 56.875 58.000 0.145 0.000 0.952 76 F CB 1.392 40.483 39.000 0.152 0.000 1.326 76 F HN 0.104 nan 8.300 nan 0.000 0.456 77 K N 1.848 122.392 120.400 0.239 0.000 2.316 77 K HA 0.859 5.166 4.320 -0.021 0.000 0.251 77 K C -1.440 175.344 176.600 0.306 0.000 0.934 77 K CA -1.283 55.093 56.287 0.147 0.000 0.802 77 K CB 2.264 34.838 32.500 0.122 0.000 1.171 77 K HN 0.926 nan 8.250 nan 0.000 0.426 78 A N 2.580 125.555 122.820 0.258 0.000 2.872 78 A HA 0.156 4.464 4.320 -0.021 0.000 0.305 78 A C -0.484 177.194 177.584 0.156 0.000 1.171 78 A CA -0.694 51.499 52.037 0.259 0.000 0.782 78 A CB 0.143 19.372 19.000 0.382 0.000 1.329 78 A HN 0.849 nan 8.150 nan 0.000 0.432 79 D N 0.699 121.155 120.400 0.093 0.000 2.349 79 D HA 0.060 4.687 4.640 -0.021 0.000 0.214 79 D C 0.271 176.563 176.300 -0.014 0.000 1.063 79 D CA 0.477 54.488 54.000 0.018 0.000 0.847 79 D CB 0.185 41.002 40.800 0.029 0.000 0.933 79 D HN 0.453 nan 8.370 nan 0.000 0.513 80 K N 1.282 121.698 120.400 0.027 0.000 3.301 80 K HA 0.256 4.563 4.320 -0.021 0.000 0.170 80 K C -2.698 173.933 176.600 0.051 0.000 1.061 80 K CA -1.204 55.094 56.287 0.018 0.000 0.807 80 K CB 1.865 34.377 32.500 0.021 0.000 0.889 80 K HN 0.093 nan 8.250 nan 0.000 0.564 81 P HA 0.038 nan 4.420 nan 0.000 0.272 81 P C -0.545 176.810 177.300 0.091 0.000 1.223 81 P CA -0.286 62.882 63.100 0.113 0.000 0.784 81 P CB 0.656 32.460 31.700 0.174 0.000 0.923 82 N N 0.117 118.872 118.700 0.091 0.000 2.288 82 N HA -0.037 4.691 4.740 -0.021 0.000 0.237 82 N C 1.595 177.161 175.510 0.094 0.000 1.311 82 N CA -0.113 52.984 53.050 0.078 0.000 0.909 82 N CB 0.032 38.562 38.487 0.071 0.000 1.167 82 N HN 0.426 nan 8.380 nan 0.000 0.476 83 S N -0.456 115.292 115.700 0.079 0.000 2.359 83 S HA -0.120 4.338 4.470 -0.021 0.000 0.224 83 S C 0.530 175.187 174.600 0.095 0.000 1.035 83 S CA 1.052 59.302 58.200 0.082 0.000 1.018 83 S CB -0.102 63.134 63.200 0.060 0.000 0.876 83 S HN 0.429 nan 8.310 nan 0.000 0.448 84 L N 2.158 123.437 121.223 0.093 0.000 2.439 84 L HA 0.523 4.850 4.340 -0.021 0.000 0.270 84 L C -1.317 175.625 176.870 0.120 0.000 0.972 84 L CA -0.332 54.560 54.840 0.087 0.000 0.836 84 L CB 1.781 43.852 42.059 0.019 0.000 1.255 84 L HN 0.456 nan 8.230 nan 0.000 0.404 85 Q N 4.405 124.282 119.800 0.129 0.000 2.345 85 Q HA 0.889 5.217 4.340 -0.021 0.000 0.275 85 Q C -1.488 174.585 176.000 0.122 0.000 1.063 85 Q CA -0.992 54.892 55.803 0.135 0.000 0.819 85 Q CB 2.029 30.835 28.738 0.114 0.000 1.356 85 Q HN 0.803 nan 8.270 nan 0.000 0.418 86 A N 3.154 126.044 122.820 0.116 0.000 2.289 86 A HA 0.455 4.762 4.320 -0.021 0.000 0.298 86 A C 0.356 177.955 177.584 0.025 0.000 1.208 86 A CA -0.719 51.358 52.037 0.067 0.000 0.845 86 A CB 0.216 19.248 19.000 0.053 0.000 1.125 86 A HN 0.900 nan 8.150 nan 0.000 0.517 87 L N 1.473 122.687 121.223 -0.015 0.000 2.202 87 L HA 0.237 4.564 4.340 -0.021 0.000 0.205 87 L C 0.233 177.150 176.870 0.079 0.000 1.083 87 L CA 0.849 55.665 54.840 -0.040 0.000 0.790 87 L CB -0.057 41.868 42.059 -0.224 0.000 0.942 87 L HN 0.709 nan 8.230 nan 0.000 0.452 88 F N -0.137 119.758 119.950 -0.092 0.000 2.596 88 F HA 0.668 5.182 4.527 -0.022 0.000 0.311 88 F C -0.308 175.455 175.800 -0.061 0.000 1.116 88 F CA -0.787 57.183 58.000 -0.050 0.000 0.957 88 F CB 1.709 40.715 39.000 0.009 0.000 1.250 88 F HN -0.216 nan 8.300 nan 0.000 0.444 89 G N 5.689 114.028 108.800 -0.768 0.000 2.638 89 G HA2 0.646 4.593 3.960 -0.021 0.000 0.302 89 G HA3 0.646 4.593 3.960 -0.021 0.000 0.302 89 G C -2.318 172.187 174.900 -0.658 0.000 1.365 89 G CA -0.840 43.930 45.100 -0.551 0.000 0.987 89 G HN 0.731 nan 8.290 nan 0.000 0.495 90 L N 2.070 123.156 121.223 -0.229 0.000 2.349 90 L HA 0.681 5.008 4.340 -0.021 0.000 0.278 90 L C 0.051 176.949 176.870 0.047 0.000 0.996 90 L CA -0.760 54.035 54.840 -0.076 0.000 0.825 90 L CB 2.090 44.216 42.059 0.112 0.000 1.243 90 L HN 0.707 nan 8.230 nan 0.000 0.412 91 S N 0.968 116.668 115.700 -0.000 0.000 2.564 91 S HA 0.448 4.905 4.470 -0.021 0.000 0.274 91 S C -1.002 173.607 174.600 0.015 0.000 1.124 91 S CA -0.960 57.270 58.200 0.050 0.000 0.869 91 S CB 2.132 65.332 63.200 0.000 0.000 1.105 91 S HN 0.514 nan 8.310 nan 0.000 0.472 92 N N 1.369 120.091 118.700 0.036 0.000 2.401 92 N HA 0.181 4.909 4.740 -0.021 0.000 0.255 92 N C 0.899 176.427 175.510 0.031 0.000 1.110 92 N CA 0.024 53.071 53.050 -0.005 0.000 0.949 92 N CB 1.110 39.574 38.487 -0.039 0.000 1.110 92 N HN 0.751 nan 8.380 nan 0.000 0.490 93 S N 2.156 117.857 115.700 0.001 0.000 2.575 93 S HA 0.145 4.603 4.470 -0.021 0.000 0.215 93 S C 0.507 175.129 174.600 0.037 0.000 0.966 93 S CA -0.035 58.168 58.200 0.004 0.000 0.911 93 S CB 0.087 63.275 63.200 -0.019 0.000 0.780 93 S HN 0.423 nan 8.310 nan 0.000 0.514 94 K N 1.672 122.115 120.400 0.072 0.000 2.154 94 K HA 0.569 4.876 4.320 -0.021 0.000 0.264 94 K C 0.175 176.894 176.600 0.198 0.000 1.008 94 K CA -0.164 56.195 56.287 0.120 0.000 0.937 94 K CB 0.722 33.286 32.500 0.106 0.000 1.002 94 K HN 0.294 nan 8.250 nan 0.000 0.469 95 A N 1.029 123.931 122.820 0.137 0.000 2.566 95 A HA 0.291 4.598 4.320 -0.021 0.000 0.245 95 A C 1.181 178.812 177.584 0.077 0.000 1.056 95 A CA 1.023 53.111 52.037 0.085 0.000 0.757 95 A CB -0.903 18.125 19.000 0.047 0.000 0.979 95 A HN 0.944 nan 8.150 nan 0.000 0.508 96 G N 0.754 109.510 108.800 -0.074 0.000 2.175 96 G HA2 -0.222 3.726 3.960 -0.021 0.000 0.244 96 G HA3 -0.222 3.726 3.960 -0.021 0.000 0.244 96 G C 0.029 174.521 174.900 -0.682 0.000 0.982 96 G CA 0.529 45.415 45.100 -0.356 0.000 0.641 96 G HN 0.953 nan 8.290 nan 0.000 0.527 97 F N 0.774 120.714 119.950 -0.017 0.000 2.841 97 F HA 0.283 4.797 4.527 -0.021 0.000 0.358 97 F C 1.781 177.579 175.800 -0.004 0.000 1.261 97 F CA -0.018 57.974 58.000 -0.012 0.000 1.233 97 F CB 0.478 39.472 39.000 -0.009 0.000 1.008 97 F HN 0.233 nan 8.300 nan 0.000 0.507 98 K N -0.853 119.583 120.400 0.060 0.000 2.280 98 K HA -0.091 4.217 4.320 -0.021 0.000 0.202 98 K C 0.276 176.952 176.600 0.127 0.000 1.047 98 K CA 1.480 57.787 56.287 0.033 0.000 0.942 98 K CB -0.051 32.424 32.500 -0.041 0.000 0.739 98 K HN 0.114 nan 8.250 nan 0.000 0.457 99 N N 1.145 119.908 118.700 0.105 0.000 2.321 99 N HA 0.071 4.798 4.740 -0.021 0.000 0.242 99 N C -1.009 174.484 175.510 -0.029 0.000 1.141 99 N CA -0.077 53.010 53.050 0.062 0.000 0.864 99 N CB 0.570 39.038 38.487 -0.032 0.000 1.100 99 N HN 0.173 nan 8.380 nan 0.000 0.510 100 N N 1.312 120.078 118.700 0.110 0.000 2.817 100 N HA 0.196 4.923 4.740 -0.021 0.000 0.234 100 N C -1.232 174.368 175.510 0.151 0.000 1.066 100 N CA -0.376 52.717 53.050 0.071 0.000 0.926 100 N CB 0.171 38.742 38.487 0.139 0.000 1.176 100 N HN 0.230 nan 8.380 nan 0.000 0.506 101 Y N -0.731 119.573 120.300 0.006 0.000 2.641 101 Y HA 0.591 5.128 4.550 -0.021 0.000 0.333 101 Y C -1.969 173.974 175.900 0.072 0.000 1.174 101 Y CA -1.741 56.370 58.100 0.019 0.000 1.057 101 Y CB 0.655 39.098 38.460 -0.028 0.000 1.322 101 Y HN 0.084 nan 8.280 nan 0.000 0.457 102 F N 3.028 123.083 119.950 0.175 0.000 2.469 102 F HA 0.835 5.350 4.527 -0.020 0.000 0.332 102 F C -0.754 175.179 175.800 0.223 0.000 1.103 102 F CA -0.341 57.742 58.000 0.140 0.000 0.979 102 F CB 1.797 40.879 39.000 0.136 0.000 1.137 102 F HN 0.832 nan 8.300 nan 0.000 0.463 103 S N 5.785 121.037 115.700 -0.747 0.000 2.564 103 S HA 0.737 5.195 4.470 -0.021 0.000 0.274 103 S C -1.213 172.945 174.600 -0.737 0.000 1.124 103 S CA -0.872 56.997 58.200 -0.551 0.000 0.869 103 S CB 1.584 64.727 63.200 -0.095 0.000 1.105 103 S HN 0.616 nan 8.310 nan 0.000 0.472 104 I N 3.097 123.447 120.570 -0.367 0.000 2.355 104 I HA 0.523 4.680 4.170 -0.021 0.000 0.288 104 I C -0.816 175.237 176.117 -0.107 0.000 0.999 104 I CA -0.703 60.443 61.300 -0.257 0.000 1.163 104 I CB 0.877 38.794 38.000 -0.139 0.000 1.316 104 I HN 0.764 nan 8.210 nan 0.000 0.454 105 F N 6.062 125.908 119.950 -0.173 0.000 2.611 105 F HA 0.902 5.415 4.527 -0.022 0.000 0.324 105 F C -0.653 175.100 175.800 -0.078 0.000 1.061 105 F CA -1.227 56.689 58.000 -0.141 0.000 0.954 105 F CB 1.621 40.508 39.000 -0.188 0.000 1.301 105 F HN 0.347 nan 8.300 nan 0.000 0.482 106 M N 0.955 120.648 119.600 0.155 0.000 2.593 106 M HA 0.694 5.161 4.480 -0.021 0.000 0.290 106 M C -1.610 174.840 176.300 0.250 0.000 1.244 106 M CA -0.894 54.477 55.300 0.117 0.000 0.857 106 M CB 2.891 35.550 32.600 0.099 0.000 1.738 106 M HN 0.744 nan 8.290 nan 0.000 0.461 107 R N 0.480 121.103 120.500 0.205 0.000 2.787 107 R HA 0.328 4.656 4.340 -0.021 0.000 0.271 107 R C -0.105 176.312 176.300 0.196 0.000 0.993 107 R CA -0.679 55.532 56.100 0.184 0.000 0.993 107 R CB 1.253 31.648 30.300 0.158 0.000 1.155 107 R HN 0.893 nan 8.270 nan 0.000 0.486 108 D N -0.139 120.380 120.400 0.198 0.000 2.378 108 D HA -0.127 4.500 4.640 -0.021 0.000 0.227 108 D C 1.016 177.518 176.300 0.337 0.000 1.012 108 D CA 0.673 54.839 54.000 0.275 0.000 0.905 108 D CB -0.018 40.888 40.800 0.176 0.000 0.895 108 D HN 0.419 nan 8.370 nan 0.000 0.532 109 S N -1.308 114.502 115.700 0.183 0.000 2.522 109 S HA 0.274 4.731 4.470 -0.021 0.000 0.227 109 S C 1.893 176.385 174.600 -0.180 0.000 0.986 109 S CA 0.316 58.570 58.200 0.090 0.000 0.929 109 S CB -0.324 62.909 63.200 0.054 0.000 0.769 109 S HN 0.589 nan 8.310 nan 0.000 0.529 110 G N 0.774 109.391 108.800 -0.306 0.000 2.176 110 G HA2 -0.261 3.686 3.960 -0.021 0.000 0.232 110 G HA3 -0.261 3.686 3.960 -0.021 0.000 0.232 110 G C -0.186 174.570 174.900 -0.240 0.000 0.986 110 G CA 0.080 44.758 45.100 -0.703 0.000 0.643 110 G HN 0.719 nan 8.290 nan 0.000 0.522 111 E N 0.075 120.228 120.200 -0.079 0.000 2.373 111 E HA 0.530 4.867 4.350 -0.021 0.000 0.267 111 E C -0.256 176.331 176.600 -0.022 0.000 1.032 111 E CA -0.546 55.848 56.400 -0.010 0.000 0.889 111 E CB 0.493 30.228 29.700 0.058 0.000 0.984 111 E HN 0.332 nan 8.360 nan 0.000 0.425 112 I N 3.069 123.605 120.570 -0.056 0.000 2.646 112 I HA 0.713 4.870 4.170 -0.021 0.000 0.299 112 I C -0.253 175.667 176.117 -0.328 0.000 1.036 112 I CA -0.099 61.101 61.300 -0.167 0.000 1.074 112 I CB 1.951 39.949 38.000 -0.003 0.000 1.258 112 I HN 0.581 nan 8.210 nan 0.000 0.430 113 G N 4.959 113.245 108.800 -0.857 0.000 2.600 113 G HA2 0.628 4.575 3.960 -0.021 0.000 0.293 113 G HA3 0.628 4.575 3.960 -0.021 0.000 0.293 113 G C -1.790 172.650 174.900 -0.767 0.000 1.408 113 G CA -0.106 44.489 45.100 -0.841 0.000 0.782 113 G HN 1.065 nan 8.290 nan 0.000 0.482 114 V N -2.826 116.943 119.914 -0.243 0.000 2.962 114 V HA 0.894 5.002 4.120 -0.021 0.000 0.313 114 V C -0.797 175.316 176.094 0.032 0.000 1.099 114 V CA -1.030 61.185 62.300 -0.142 0.000 0.971 114 V CB 1.970 33.646 31.823 -0.244 0.000 1.028 114 V HN 0.801 nan 8.190 nan 0.000 0.430 115 E N 2.857 123.029 120.200 -0.047 0.000 2.212 115 E HA 0.717 5.054 4.350 -0.021 0.000 0.268 115 E C -1.361 175.167 176.600 -0.120 0.000 0.902 115 E CA -0.757 55.562 56.400 -0.135 0.000 0.779 115 E CB 2.807 32.418 29.700 -0.149 0.000 1.172 115 E HN 0.747 nan 8.360 nan 0.000 0.409 116 I N 2.420 122.905 120.570 -0.141 0.000 2.503 116 I HA 0.391 4.548 4.170 -0.021 0.000 0.282 116 I C -0.652 175.327 176.117 -0.231 0.000 1.059 116 I CA -0.582 60.699 61.300 -0.033 0.000 1.081 116 I CB 1.219 39.265 38.000 0.076 0.000 1.210 116 I HN 0.225 nan 8.210 nan 0.000 0.450 117 R N 3.940 124.261 120.500 -0.298 0.000 2.575 117 R HA 0.554 4.881 4.340 -0.021 0.000 0.293 117 R C -1.486 174.671 176.300 -0.238 0.000 0.983 117 R CA -0.844 55.034 56.100 -0.370 0.000 0.887 117 R CB 2.801 32.742 30.300 -0.598 0.000 1.184 117 R HN 0.461 nan 8.270 nan 0.000 0.445 118 D N 1.804 122.087 120.400 -0.196 0.000 2.616 118 D HA 0.216 4.844 4.640 -0.021 0.000 0.238 118 D C 0.215 176.464 176.300 -0.085 0.000 1.354 118 D CA -0.347 53.593 54.000 -0.100 0.000 0.970 118 D CB 1.984 42.737 40.800 -0.078 0.000 1.369 118 D HN 0.572 nan 8.370 nan 0.000 0.585 119 A N 3.407 126.205 122.820 -0.036 0.000 1.969 119 A HA -0.179 4.128 4.320 -0.021 0.000 0.218 119 A C 1.742 179.316 177.584 -0.016 0.000 1.169 119 A CA 1.411 53.425 52.037 -0.037 0.000 0.635 119 A CB -0.062 18.923 19.000 -0.024 0.000 0.810 119 A HN 0.521 nan 8.150 nan 0.000 0.445 120 Q N -0.007 119.808 119.800 0.025 0.000 2.167 120 Q HA -0.032 4.296 4.340 -0.021 0.000 0.202 120 Q C 1.764 177.763 176.000 -0.001 0.000 0.970 120 Q CA 1.629 57.449 55.803 0.029 0.000 0.855 120 Q CB -0.181 28.598 28.738 0.067 0.000 0.911 120 Q HN 0.689 nan 8.270 nan 0.000 0.438 121 K N -1.015 119.372 120.400 -0.021 0.000 2.418 121 K HA 0.158 4.466 4.320 -0.021 0.000 0.195 121 K C 0.605 177.169 176.600 -0.060 0.000 1.035 121 K CA 0.534 56.799 56.287 -0.036 0.000 1.003 121 K CB 0.290 32.762 32.500 -0.048 0.000 0.793 121 K HN 0.296 nan 8.250 nan 0.000 0.494 122 G N 2.182 110.936 108.800 -0.076 0.000 2.221 122 G HA2 -0.259 3.688 3.960 -0.021 0.000 0.265 122 G HA3 -0.259 3.688 3.960 -0.021 0.000 0.265 122 G C -0.107 174.703 174.900 -0.149 0.000 1.041 122 G CA -0.037 45.009 45.100 -0.090 0.000 0.807 122 G HN 0.249 nan 8.290 nan 0.000 0.502 123 I N 0.430 120.866 120.570 -0.224 0.000 2.406 123 I HA 0.369 4.526 4.170 -0.021 0.000 0.290 123 I C -0.386 175.468 176.117 -0.439 0.000 0.999 123 I CA -0.849 60.199 61.300 -0.420 0.000 1.124 123 I CB 1.656 39.334 38.000 -0.537 0.000 1.289 123 I HN 0.024 nan 8.210 nan 0.000 0.441 124 N N 6.330 124.751 118.700 -0.465 0.000 2.726 124 N HA 0.194 4.922 4.740 -0.021 0.000 0.253 124 N C -1.411 173.915 175.510 -0.306 0.000 1.530 124 N CA -0.487 52.349 53.050 -0.357 0.000 0.772 124 N CB 0.948 39.291 38.487 -0.240 0.000 1.220 124 N HN 0.343 nan 8.380 nan 0.000 0.508 125 Y N 0.946 121.050 120.300 -0.327 0.000 2.319 125 Y HA 0.384 4.921 4.550 -0.021 0.000 0.328 125 Y C 0.493 175.963 175.900 -0.716 0.000 1.133 125 Y CA -0.534 57.219 58.100 -0.578 0.000 1.265 125 Y CB 0.925 39.028 38.460 -0.594 0.000 1.218 125 Y HN 0.284 nan 8.280 nan 0.000 0.508 126 L N 4.931 125.721 121.223 -0.722 0.000 2.441 126 L HA 0.585 4.913 4.340 -0.021 0.000 0.270 126 L C -2.020 174.430 176.870 -0.700 0.000 0.973 126 L CA -0.439 54.076 54.840 -0.541 0.000 0.842 126 L CB 0.756 42.662 42.059 -0.255 0.000 1.239 126 L HN 0.371 nan 8.230 nan 0.000 0.406 127 F N 2.855 122.663 119.950 -0.237 0.000 2.520 127 F HA 0.802 5.316 4.527 -0.021 0.000 0.322 127 F C 0.172 175.531 175.800 -0.735 0.000 1.103 127 F CA -0.626 57.008 58.000 -0.610 0.000 0.926 127 F CB 2.275 40.706 39.000 -0.948 0.000 1.154 127 F HN 0.433 nan 8.300 nan 0.000 0.453 128 S N 2.636 118.083 115.700 -0.420 0.000 2.615 128 S HA 0.794 5.251 4.470 -0.021 0.000 0.269 128 S C -1.506 173.128 174.600 0.057 0.000 1.161 128 S CA -1.112 57.002 58.200 -0.143 0.000 0.817 128 S CB 2.757 65.969 63.200 0.020 0.000 1.131 128 S HN 0.787 nan 8.310 nan 0.000 0.467 129 R N 0.751 121.355 120.500 0.174 0.000 2.533 129 R HA 0.536 4.863 4.340 -0.021 0.000 0.288 129 R C -3.213 173.139 176.300 0.087 0.000 1.039 129 R CA -1.961 54.233 56.100 0.157 0.000 0.909 129 R CB 2.052 32.484 30.300 0.220 0.000 1.195 129 R HN 0.461 nan 8.270 nan 0.000 0.438 130 P HA -0.015 nan 4.420 nan 0.000 0.270 130 P C -0.716 176.585 177.300 0.002 0.000 1.227 130 P CA 0.501 63.620 63.100 0.032 0.000 0.788 130 P CB 0.561 32.289 31.700 0.047 0.000 0.926 131 A N 0.720 123.509 122.820 -0.052 0.000 2.610 131 A HA -0.181 4.127 4.320 -0.021 0.000 0.299 131 A C 1.166 178.693 177.584 -0.096 0.000 1.487 131 A CA 1.188 53.166 52.037 -0.097 0.000 0.743 131 A CB -2.531 16.477 19.000 0.014 0.000 1.070 131 A HN 0.385 nan 8.150 nan 0.000 0.439 132 S N -1.372 114.276 115.700 -0.086 0.000 2.523 132 S HA 0.438 4.895 4.470 -0.021 0.000 0.217 132 S C 0.556 175.174 174.600 0.030 0.000 0.996 132 S CA 0.389 58.584 58.200 -0.010 0.000 0.921 132 S CB 0.108 63.334 63.200 0.044 0.000 0.829 132 S HN 0.617 nan 8.310 nan 0.000 0.495 133 L N 0.090 121.283 121.223 -0.049 0.000 2.323 133 L HA 0.593 4.921 4.340 -0.021 0.000 0.265 133 L C -1.229 175.709 176.870 0.112 0.000 1.012 133 L CA -0.881 54.015 54.840 0.094 0.000 0.820 133 L CB 1.435 43.583 42.059 0.149 0.000 1.334 133 L HN 0.227 nan 8.230 nan 0.000 0.427 134 W N -0.139 121.291 121.300 0.216 0.000 2.516 134 W HA 0.583 5.230 4.660 -0.021 0.000 0.343 134 W C 0.843 177.568 176.519 0.345 0.000 1.094 134 W CA -0.030 57.501 57.345 0.311 0.000 1.250 134 W CB 1.743 31.332 29.460 0.215 0.000 1.308 134 W HN 0.589 nan 8.180 nan 0.000 0.588 135 G N 1.076 110.142 108.800 0.444 0.000 2.808 135 G HA2 0.168 4.116 3.960 -0.021 0.000 0.210 135 G HA3 0.168 4.116 3.960 -0.021 0.000 0.210 135 G C -0.264 174.750 174.900 0.189 0.000 1.177 135 G CA -0.081 45.102 45.100 0.139 0.000 0.853 135 G HN 0.337 nan 8.290 nan 0.000 0.625 136 K N -0.771 119.772 120.400 0.238 0.000 2.512 136 K HA 0.647 4.955 4.320 -0.021 0.000 0.263 136 K C -2.058 174.806 176.600 0.440 0.000 0.966 136 K CA -0.921 55.513 56.287 0.245 0.000 0.851 136 K CB 2.429 34.986 32.500 0.095 0.000 1.395 136 K HN 0.207 nan 8.250 nan 0.000 0.440 137 H N 0.710 119.921 119.070 0.235 0.000 3.042 137 H HA 0.270 4.813 4.556 -0.021 0.000 0.345 137 H C -1.311 174.133 175.328 0.194 0.000 1.052 137 H CA -0.574 55.630 56.048 0.260 0.000 1.311 137 H CB 1.360 31.205 29.762 0.138 0.000 1.810 137 H HN 0.770 nan 8.280 nan 0.000 0.505 138 K N 3.765 124.101 120.400 -0.108 0.000 3.035 138 K HA -0.215 4.093 4.320 -0.021 0.000 0.262 138 K C 0.860 177.490 176.600 0.051 0.000 1.024 138 K CA 0.991 57.252 56.287 -0.044 0.000 0.748 138 K CB -1.616 30.717 32.500 -0.280 0.000 1.247 138 K HN 1.206 nan 8.250 nan 0.000 0.482 139 G N -0.580 108.271 108.800 0.084 0.000 2.168 139 G HA2 -0.329 3.618 3.960 -0.021 0.000 0.263 139 G HA3 -0.329 3.618 3.960 -0.021 0.000 0.263 139 G C -0.151 174.776 174.900 0.045 0.000 0.977 139 G CA 0.696 45.825 45.100 0.048 0.000 0.659 139 G HN 0.346 nan 8.290 nan 0.000 0.533 140 Q N -0.246 119.593 119.800 0.064 0.000 2.342 140 Q HA 0.682 5.009 4.340 -0.021 0.000 0.267 140 Q C 0.308 176.366 176.000 0.097 0.000 1.038 140 Q CA -0.072 55.771 55.803 0.067 0.000 0.832 140 Q CB 2.039 30.812 28.738 0.058 0.000 1.323 140 Q HN 0.782 nan 8.270 nan 0.000 0.448 141 A N 1.987 124.857 122.820 0.083 0.000 2.511 141 A HA 0.257 4.564 4.320 -0.021 0.000 0.242 141 A C 0.127 177.774 177.584 0.106 0.000 1.069 141 A CA -0.200 51.895 52.037 0.097 0.000 0.763 141 A CB 0.180 19.229 19.000 0.082 0.000 1.001 141 A HN 0.457 nan 8.150 nan 0.000 0.498 142 V N 2.802 122.797 119.914 0.136 0.000 2.546 142 V HA 0.154 4.262 4.120 -0.021 0.000 0.284 142 V C 0.695 176.810 176.094 0.035 0.000 1.050 142 V CA -0.283 62.083 62.300 0.110 0.000 0.981 142 V CB 1.321 33.263 31.823 0.198 0.000 0.990 142 V HN 0.985 nan 8.190 nan 0.000 0.474 143 E N 4.987 125.186 120.200 -0.002 0.000 2.052 143 E HA 0.144 4.481 4.350 -0.021 0.000 0.283 143 E C -0.228 176.315 176.600 -0.095 0.000 1.071 143 E CA -0.394 55.977 56.400 -0.048 0.000 0.851 143 E CB 0.277 29.971 29.700 -0.011 0.000 1.066 143 E HN 0.666 nan 8.360 nan 0.000 0.396 144 N N 3.134 121.679 118.700 -0.259 0.000 2.514 144 N HA 0.130 4.857 4.740 -0.021 0.000 0.277 144 N C -0.910 174.513 175.510 -0.144 0.000 1.126 144 N CA 0.078 52.969 53.050 -0.264 0.000 0.978 144 N CB 1.637 39.741 38.487 -0.639 0.000 1.106 144 N HN 0.345 nan 8.380 nan 0.000 0.461 145 T N 2.279 116.845 114.554 0.019 0.000 2.821 145 T HA 0.321 4.658 4.350 -0.021 0.000 0.307 145 T C 0.138 174.944 174.700 0.177 0.000 1.034 145 T CA -0.480 61.679 62.100 0.099 0.000 0.953 145 T CB 0.586 69.492 68.868 0.063 0.000 0.968 145 T HN 0.268 nan 8.240 nan 0.000 0.462 146 L N 4.722 126.104 121.223 0.266 0.000 2.307 146 L HA 0.793 5.120 4.340 -0.021 0.000 0.284 146 L C -1.168 175.855 176.870 0.256 0.000 1.023 146 L CA -0.655 54.364 54.840 0.299 0.000 0.810 146 L CB 0.949 43.250 42.059 0.402 0.000 1.231 146 L HN 0.349 nan 8.230 nan 0.000 0.423 147 V N 5.352 125.428 119.914 0.270 0.000 2.482 147 V HA 0.364 4.471 4.120 -0.021 0.000 0.295 147 V C -0.920 175.400 176.094 0.376 0.000 1.026 147 V CA -0.445 62.017 62.300 0.268 0.000 0.856 147 V CB 1.370 33.284 31.823 0.151 0.000 1.001 147 V HN 0.568 nan 8.190 nan 0.000 0.424 148 F N 5.857 125.919 119.950 0.187 0.000 2.426 148 F HA 0.779 5.294 4.527 -0.020 0.000 0.348 148 F C -0.487 175.436 175.800 0.205 0.000 1.124 148 F CA -0.827 57.288 58.000 0.191 0.000 1.008 148 F CB 1.716 40.862 39.000 0.242 0.000 1.139 148 F HN 0.260 nan 8.300 nan 0.000 0.452 149 V N 5.058 124.669 119.914 -0.506 0.000 2.409 149 V HA 0.385 4.492 4.120 -0.021 0.000 0.291 149 V C -0.396 175.358 176.094 -0.566 0.000 1.020 149 V CA -0.701 61.380 62.300 -0.366 0.000 0.848 149 V CB 1.383 33.138 31.823 -0.114 0.000 0.990 149 V HN 0.783 nan 8.190 nan 0.000 0.430 150 S N 3.471 118.975 115.700 -0.328 0.000 2.520 150 S HA 0.360 4.817 4.470 -0.021 0.000 0.324 150 S C -0.815 173.797 174.600 0.020 0.000 1.069 150 S CA -0.537 57.648 58.200 -0.025 0.000 1.121 150 S CB 0.374 63.706 63.200 0.219 0.000 0.971 150 S HN 0.809 nan 8.310 nan 0.000 0.463 151 D N 3.245 123.556 120.400 -0.149 0.000 2.441 151 D HA 0.286 4.913 4.640 -0.021 0.000 0.231 151 D C 1.246 177.077 176.300 -0.782 0.000 1.073 151 D CA -0.382 53.426 54.000 -0.319 0.000 0.850 151 D CB 1.544 42.187 40.800 -0.261 0.000 1.062 151 D HN 0.499 nan 8.370 nan 0.000 0.524 152 S N 3.598 118.800 115.700 -0.830 0.000 2.406 152 S HA -0.104 4.353 4.470 -0.021 0.000 0.228 152 S C 1.620 175.798 174.600 -0.705 0.000 1.020 152 S CA 0.540 57.986 58.200 -1.256 0.000 0.965 152 S CB 0.059 62.944 63.200 -0.524 0.000 0.798 152 S HN 0.399 nan 8.310 nan 0.000 0.488 153 K N 1.082 121.232 120.400 -0.417 0.000 2.026 153 K HA -0.075 4.232 4.320 -0.021 0.000 0.208 153 K C 1.003 177.445 176.600 -0.263 0.000 1.048 153 K CA 1.711 57.839 56.287 -0.264 0.000 0.929 153 K CB -0.282 32.110 32.500 -0.181 0.000 0.713 153 K HN 0.359 nan 8.250 nan 0.000 0.439 154 D N 0.188 120.412 120.400 -0.294 0.000 2.339 154 D HA 0.035 4.663 4.640 -0.021 0.000 0.217 154 D C -0.372 175.762 176.300 -0.276 0.000 1.050 154 D CA 0.220 54.080 54.000 -0.234 0.000 0.856 154 D CB 0.298 40.985 40.800 -0.187 0.000 0.922 154 D HN 0.068 nan 8.370 nan 0.000 0.518 155 K N 0.027 120.151 120.400 -0.459 0.000 3.077 155 K HA -0.137 4.171 4.320 -0.021 0.000 0.264 155 K C -0.561 175.893 176.600 -0.243 0.000 1.008 155 K CA 0.575 56.618 56.287 -0.407 0.000 0.740 155 K CB -2.039 30.393 32.500 -0.114 0.000 1.273 155 K HN 0.110 nan 8.250 nan 0.000 0.477 156 T N 0.346 114.686 114.554 -0.357 0.000 2.886 156 T HA 0.510 4.848 4.350 -0.021 0.000 0.292 156 T C -0.981 173.537 174.700 -0.303 0.000 1.012 156 T CA -0.612 61.324 62.100 -0.273 0.000 0.982 156 T CB 0.794 69.544 68.868 -0.196 0.000 1.018 156 T HN 0.096 nan 8.240 nan 0.000 0.451 157 Y N 1.329 121.632 120.300 0.006 0.000 2.328 157 Y HA 0.558 5.096 4.550 -0.021 0.000 0.337 157 Y C 0.720 176.629 175.900 0.015 0.000 0.966 157 Y CA -0.786 57.339 58.100 0.042 0.000 1.136 157 Y CB 1.633 40.288 38.460 0.327 0.000 1.170 157 Y HN 0.495 nan 8.280 nan 0.000 0.470 158 T N 4.985 119.517 114.554 -0.037 0.000 2.861 158 T HA 0.566 4.904 4.350 -0.021 0.000 0.287 158 T C -0.854 173.662 174.700 -0.307 0.000 1.003 158 T CA -0.748 61.222 62.100 -0.216 0.000 0.977 158 T CB 1.320 70.032 68.868 -0.261 0.000 0.996 158 T HN 0.636 nan 8.240 nan 0.000 0.448 159 M N 3.493 122.663 119.600 -0.716 0.000 2.393 159 M HA 0.625 5.092 4.480 -0.021 0.000 0.316 159 M C -2.033 173.928 176.300 -0.565 0.000 1.087 159 M CA -0.677 54.316 55.300 -0.512 0.000 0.937 159 M CB 1.445 33.578 32.600 -0.780 0.000 1.668 159 M HN 0.661 nan 8.290 nan 0.000 0.438 160 Y N 3.180 123.434 120.300 -0.076 0.000 2.393 160 Y HA 0.718 5.256 4.550 -0.021 0.000 0.341 160 Y C -0.721 175.207 175.900 0.046 0.000 0.988 160 Y CA -0.953 57.136 58.100 -0.019 0.000 1.078 160 Y CB 2.000 40.461 38.460 0.001 0.000 1.203 160 Y HN 0.370 nan 8.280 nan 0.000 0.453 161 V N 3.025 123.068 119.914 0.215 0.000 2.577 161 V HA 0.284 4.392 4.120 -0.021 0.000 0.303 161 V C -0.523 175.708 176.094 0.228 0.000 1.042 161 V CA -1.408 61.021 62.300 0.215 0.000 0.872 161 V CB 1.539 33.482 31.823 0.200 0.000 0.998 161 V HN 0.947 nan 8.190 nan 0.000 0.423 162 N N 3.538 122.361 118.700 0.205 0.000 2.735 162 N HA -0.205 4.522 4.740 -0.021 0.000 0.248 162 N C 1.133 176.757 175.510 0.190 0.000 1.083 162 N CA 1.693 54.867 53.050 0.207 0.000 0.703 162 N CB -1.152 37.563 38.487 0.380 0.000 1.005 162 N HN 1.665 nan 8.380 nan 0.000 0.550 163 G N -1.347 107.540 108.800 0.145 0.000 2.159 163 G HA2 -0.314 3.633 3.960 -0.021 0.000 0.256 163 G HA3 -0.314 3.633 3.960 -0.021 0.000 0.256 163 G C 0.045 175.055 174.900 0.183 0.000 0.977 163 G CA 0.461 45.626 45.100 0.108 0.000 0.652 163 G HN 0.513 nan 8.290 nan 0.000 0.531 164 I N 0.888 121.599 120.570 0.234 0.000 2.378 164 I HA 0.310 4.468 4.170 -0.021 0.000 0.291 164 I C 0.471 176.699 176.117 0.185 0.000 0.992 164 I CA -0.751 60.671 61.300 0.204 0.000 1.154 164 I CB 1.782 39.885 38.000 0.171 0.000 1.315 164 I HN 0.161 nan 8.210 nan 0.000 0.448 165 E N 5.375 125.655 120.200 0.134 0.000 2.299 165 E HA 0.078 4.415 4.350 -0.021 0.000 0.272 165 E C 0.622 177.159 176.600 -0.106 0.000 1.043 165 E CA -0.176 56.131 56.400 -0.155 0.000 0.895 165 E CB 1.094 30.665 29.700 -0.215 0.000 1.011 165 E HN 0.612 nan 8.360 nan 0.000 0.432 166 V N 2.758 122.570 119.914 -0.170 0.000 3.523 166 V HA 0.296 4.403 4.120 -0.021 0.000 0.255 166 V C 0.021 176.170 176.094 0.091 0.000 1.226 166 V CA 0.152 62.438 62.300 -0.024 0.000 1.092 166 V CB -0.521 31.313 31.823 0.019 0.000 0.817 166 V HN 0.494 nan 8.190 nan 0.000 0.458 167 F N -1.518 118.402 119.950 -0.051 0.000 2.678 167 F HA 0.847 5.361 4.527 -0.022 0.000 0.308 167 F C -0.948 174.767 175.800 -0.142 0.000 1.118 167 F CA -0.920 57.048 58.000 -0.053 0.000 0.959 167 F CB 1.278 40.287 39.000 0.015 0.000 1.305 167 F HN -0.182 nan 8.300 nan 0.000 0.443 168 S N 1.445 117.197 115.700 0.087 0.000 2.750 168 S HA 0.516 4.973 4.470 -0.021 0.000 0.276 168 S C -1.845 172.690 174.600 -0.109 0.000 1.165 168 S CA -0.397 57.774 58.200 -0.048 0.000 1.047 168 S CB 0.807 63.913 63.200 -0.157 0.000 1.056 168 S HN 0.647 nan 8.310 nan 0.000 0.481 169 E N 2.886 122.997 120.200 -0.150 0.000 2.218 169 E HA 0.363 4.700 4.350 -0.021 0.000 0.263 169 E C -0.882 175.560 176.600 -0.263 0.000 0.879 169 E CA -0.505 55.686 56.400 -0.349 0.000 0.762 169 E CB 2.040 31.184 29.700 -0.928 0.000 1.166 169 E HN 0.539 nan 8.360 nan 0.000 0.415 170 T N 1.727 116.166 114.554 -0.192 0.000 2.799 170 T HA 0.448 4.785 4.350 -0.021 0.000 0.286 170 T C 0.344 174.994 174.700 -0.082 0.000 0.973 170 T CA -0.628 61.395 62.100 -0.127 0.000 1.035 170 T CB 1.027 69.832 68.868 -0.106 0.000 0.932 170 T HN 0.303 nan 8.240 nan 0.000 0.469 171 V N 0.411 120.311 119.914 -0.023 0.000 2.919 171 V HA 0.576 4.684 4.120 -0.021 0.000 0.316 171 V C 0.294 176.442 176.094 0.090 0.000 1.077 171 V CA -0.819 61.496 62.300 0.025 0.000 0.977 171 V CB 1.971 33.785 31.823 -0.014 0.000 1.039 171 V HN 0.593 nan 8.190 nan 0.000 0.441 172 D N 1.066 121.538 120.400 0.120 0.000 2.137 172 D HA 0.035 4.663 4.640 -0.021 0.000 0.202 172 D C 0.732 177.130 176.300 0.163 0.000 0.970 172 D CA 1.663 55.734 54.000 0.118 0.000 0.837 172 D CB 0.100 40.965 40.800 0.108 0.000 0.981 172 D HN 0.748 nan 8.370 nan 0.000 0.475 173 T N 1.326 116.025 114.554 0.242 0.000 2.821 173 T HA 0.228 4.565 4.350 -0.021 0.000 0.307 173 T C -0.280 174.648 174.700 0.381 0.000 1.034 173 T CA -0.612 61.646 62.100 0.264 0.000 0.953 173 T CB 0.546 69.544 68.868 0.216 0.000 0.968 173 T HN -0.152 nan 8.240 nan 0.000 0.462 174 F N 4.062 124.121 119.950 0.181 0.000 2.471 174 F HA 0.493 5.008 4.527 -0.021 0.000 0.353 174 F C -0.255 175.709 175.800 0.274 0.000 1.113 174 F CA -1.215 56.908 58.000 0.204 0.000 1.262 174 F CB 0.571 39.597 39.000 0.044 0.000 1.146 174 F HN 0.326 nan 8.300 nan 0.000 0.578 175 L N 8.827 129.837 121.223 -0.354 0.000 2.353 175 L HA 0.553 4.880 4.340 -0.021 0.000 0.270 175 L C -2.653 173.966 176.870 -0.418 0.000 1.003 175 L CA -2.551 52.173 54.840 -0.192 0.000 0.862 175 L CB 0.700 42.756 42.059 -0.005 0.000 1.221 175 L HN 0.342 nan 8.230 nan 0.000 0.430 176 P HA 0.126 nan 4.420 nan 0.000 0.265 176 P C 1.365 178.677 177.300 0.019 0.000 1.193 176 P CA 0.042 63.173 63.100 0.052 0.000 0.765 176 P CB 0.546 32.377 31.700 0.218 0.000 0.823 177 I N -0.455 120.123 120.570 0.013 0.000 2.454 177 I HA -0.192 3.965 4.170 -0.021 0.000 0.254 177 I C 1.249 177.359 176.117 -0.012 0.000 1.156 177 I CA 1.607 62.849 61.300 -0.097 0.000 1.433 177 I CB -0.620 37.096 38.000 -0.474 0.000 1.082 177 I HN 0.088 nan 8.210 nan 0.000 0.432 178 S N 1.298 117.014 115.700 0.027 0.000 2.489 178 S HA 0.013 4.471 4.470 -0.021 0.000 0.228 178 S C 1.298 175.919 174.600 0.035 0.000 0.995 178 S CA 0.700 58.924 58.200 0.041 0.000 0.934 178 S CB -0.415 62.816 63.200 0.051 0.000 0.771 178 S HN 0.517 nan 8.310 nan 0.000 0.522 179 N N 1.053 119.774 118.700 0.036 0.000 2.322 179 N HA 0.268 4.996 4.740 -0.021 0.000 0.194 179 N C -0.141 175.377 175.510 0.013 0.000 1.126 179 N CA 0.020 53.088 53.050 0.030 0.000 0.845 179 N CB -0.116 38.399 38.487 0.047 0.000 0.976 179 N HN 0.395 nan 8.380 nan 0.000 0.475 180 I N 1.424 122.001 120.570 0.012 0.000 2.668 180 I HA -0.076 4.082 4.170 -0.021 0.000 0.285 180 I C 0.279 176.386 176.117 -0.016 0.000 1.168 180 I CA -0.152 61.149 61.300 0.002 0.000 1.424 180 I CB 0.233 38.246 38.000 0.022 0.000 1.377 180 I HN -0.001 nan 8.210 nan 0.000 0.560 181 N N 5.815 124.499 118.700 -0.027 0.000 2.411 181 N HA 0.025 4.753 4.740 -0.021 0.000 0.265 181 N C 0.975 176.397 175.510 -0.147 0.000 1.266 181 N CA 1.076 54.086 53.050 -0.067 0.000 0.889 181 N CB 0.898 39.358 38.487 -0.044 0.000 1.069 181 N HN 0.977 nan 8.380 nan 0.000 0.476 182 G N 2.346 111.049 108.800 -0.162 0.000 2.136 182 G HA2 -0.288 3.659 3.960 -0.021 0.000 0.242 182 G HA3 -0.288 3.659 3.960 -0.021 0.000 0.242 182 G C 0.349 175.159 174.900 -0.149 0.000 0.989 182 G CA -0.438 44.527 45.100 -0.224 0.000 0.682 182 G HN 0.629 nan 8.290 nan 0.000 0.522 183 I N 1.389 121.912 120.570 -0.079 0.000 2.906 183 I HA 0.081 4.238 4.170 -0.021 0.000 0.301 183 I C 1.127 177.214 176.117 -0.051 0.000 1.221 183 I CA 1.515 62.790 61.300 -0.042 0.000 1.435 183 I CB 0.530 38.525 38.000 -0.008 0.000 1.345 183 I HN 0.414 nan 8.210 nan 0.000 0.558 184 D N 4.799 125.169 120.400 -0.049 0.000 2.530 184 D HA 0.107 4.734 4.640 -0.021 0.000 0.253 184 D C -0.173 176.098 176.300 -0.047 0.000 1.338 184 D CA -0.200 53.772 54.000 -0.048 0.000 0.806 184 D CB 0.523 41.292 40.800 -0.053 0.000 1.160 184 D HN 0.138 nan 8.370 nan 0.000 0.514 185 K N 0.667 121.034 120.400 -0.055 0.000 2.468 185 K HA 0.780 5.088 4.320 -0.021 0.000 0.252 185 K C -1.146 175.388 176.600 -0.111 0.000 0.932 185 K CA -0.674 55.568 56.287 -0.076 0.000 0.794 185 K CB 2.650 35.104 32.500 -0.076 0.000 1.241 185 K HN 0.107 nan 8.250 nan 0.000 0.428 186 A N 1.774 124.511 122.820 -0.138 0.000 2.331 186 A HA 0.769 5.076 4.320 -0.021 0.000 0.320 186 A C -0.724 176.721 177.584 -0.231 0.000 1.138 186 A CA -0.446 51.458 52.037 -0.222 0.000 0.790 186 A CB 0.858 19.750 19.000 -0.180 0.000 1.206 186 A HN 0.541 nan 8.150 nan 0.000 0.470 187 T N 2.663 117.020 114.554 -0.328 0.000 2.916 187 T HA 0.540 4.878 4.350 -0.021 0.000 0.298 187 T C -0.685 173.887 174.700 -0.214 0.000 1.031 187 T CA -0.348 61.616 62.100 -0.228 0.000 0.993 187 T CB 1.072 69.826 68.868 -0.191 0.000 1.045 187 T HN 0.492 nan 8.240 nan 0.000 0.454 188 L N 2.023 123.171 121.223 -0.126 0.000 2.295 188 L HA 0.629 4.956 4.340 -0.021 0.000 0.285 188 L C 1.271 178.117 176.870 -0.041 0.000 1.035 188 L CA -0.516 54.285 54.840 -0.065 0.000 0.806 188 L CB 1.248 43.216 42.059 -0.152 0.000 1.214 188 L HN 1.059 nan 8.230 nan 0.000 0.426 189 G N 2.194 110.990 108.800 -0.007 0.000 2.143 189 G HA2 -0.023 3.924 3.960 -0.021 0.000 0.249 189 G HA3 -0.023 3.924 3.960 -0.021 0.000 0.249 189 G C 0.008 174.910 174.900 0.003 0.000 0.981 189 G CA 0.207 45.314 45.100 0.012 0.000 0.665 189 G HN 1.170 nan 8.290 nan 0.000 0.528 190 A N -2.224 120.583 122.820 -0.022 0.000 2.544 190 A HA 0.787 5.094 4.320 -0.021 0.000 0.291 190 A C -1.092 176.451 177.584 -0.068 0.000 1.055 190 A CA 0.118 52.142 52.037 -0.022 0.000 0.651 190 A CB 1.000 19.976 19.000 -0.039 0.000 1.296 190 A HN 1.480 nan 8.150 nan 0.000 0.431 191 V N 2.081 121.953 119.914 -0.070 0.000 2.417 191 V HA 0.422 4.529 4.120 -0.021 0.000 0.291 191 V C -0.135 175.862 176.094 -0.162 0.000 1.024 191 V CA -0.858 61.336 62.300 -0.176 0.000 0.861 191 V CB 1.700 33.328 31.823 -0.325 0.000 0.985 191 V HN 0.789 nan 8.190 nan 0.000 0.436 192 N N 5.286 123.898 118.700 -0.147 0.000 2.415 192 N HA 0.262 4.990 4.740 -0.021 0.000 0.246 192 N C -0.425 175.009 175.510 -0.127 0.000 1.078 192 N CA -0.157 52.834 53.050 -0.097 0.000 0.942 192 N CB 0.344 38.786 38.487 -0.075 0.000 1.140 192 N HN 0.609 nan 8.380 nan 0.000 0.501 193 R N 2.683 123.092 120.500 -0.151 0.000 2.439 193 R HA 0.217 4.545 4.340 -0.021 0.000 0.310 193 R C -0.176 176.076 176.300 -0.081 0.000 0.955 193 R CA -0.606 55.363 56.100 -0.219 0.000 0.853 193 R CB 1.071 31.004 30.300 -0.611 0.000 1.171 193 R HN 0.530 nan 8.270 nan 0.000 0.449 194 E N 1.439 121.623 120.200 -0.026 0.000 2.403 194 E HA -0.289 4.049 4.350 -0.021 0.000 0.241 194 E C 0.566 177.176 176.600 0.017 0.000 1.201 194 E CA 0.686 57.093 56.400 0.012 0.000 0.721 194 E CB -1.050 28.657 29.700 0.012 0.000 1.245 194 E HN 1.186 nan 8.360 nan 0.000 0.392 195 G N -0.203 108.601 108.800 0.006 0.000 2.184 195 G HA2 -0.361 3.586 3.960 -0.021 0.000 0.264 195 G HA3 -0.361 3.586 3.960 -0.021 0.000 0.264 195 G C 0.154 175.056 174.900 0.003 0.000 0.975 195 G CA 0.902 46.002 45.100 0.001 0.000 0.642 195 G HN 0.269 nan 8.290 nan 0.000 0.536 196 K N 0.369 120.787 120.400 0.030 0.000 2.203 196 K HA 0.457 4.764 4.320 -0.021 0.000 0.251 196 K C -0.273 176.358 176.600 0.052 0.000 0.944 196 K CA -0.723 55.576 56.287 0.020 0.000 0.829 196 K CB 1.562 34.067 32.500 0.008 0.000 1.125 196 K HN 0.278 nan 8.250 nan 0.000 0.430 197 E N 2.682 122.854 120.200 -0.047 0.000 2.129 197 E HA 0.080 4.418 4.350 -0.021 0.000 0.283 197 E C -0.567 175.933 176.600 -0.167 0.000 1.080 197 E CA -0.024 56.337 56.400 -0.066 0.000 0.867 197 E CB 0.455 30.108 29.700 -0.078 0.000 1.056 197 E HN 0.331 nan 8.360 nan 0.000 0.404 198 H N 2.036 120.917 119.070 -0.316 0.000 2.502 198 H HA 0.096 4.639 4.556 -0.020 0.000 0.338 198 H C -0.453 174.593 175.328 -0.470 0.000 1.155 198 H CA -0.982 54.711 56.048 -0.592 0.000 1.237 198 H CB 0.933 30.113 29.762 -0.971 0.000 1.534 198 H HN 0.560 nan 8.280 nan 0.000 0.523 199 Y N -1.040 119.251 120.300 -0.016 0.000 3.389 199 Y HA -0.228 4.309 4.550 -0.022 0.000 0.213 199 Y C 0.273 176.154 175.900 -0.032 0.000 1.272 199 Y CA -0.231 57.847 58.100 -0.037 0.000 1.444 199 Y CB -2.665 35.756 38.460 -0.065 0.000 1.445 199 Y HN 0.482 nan 8.280 nan 0.000 0.583 200 L N 0.558 121.796 121.223 0.025 0.000 2.525 200 L HA 0.271 4.598 4.340 -0.021 0.000 0.278 200 L C 0.991 177.892 176.870 0.052 0.000 1.218 200 L CA 0.628 55.479 54.840 0.018 0.000 0.878 200 L CB 0.490 42.538 42.059 -0.018 0.000 1.127 200 L HN 0.504 nan 8.230 nan 0.000 0.492 201 A N 3.736 126.587 122.820 0.051 0.000 2.325 201 A HA 0.641 4.949 4.320 -0.021 0.000 0.333 201 A C -0.639 176.986 177.584 0.068 0.000 1.155 201 A CA -0.633 51.445 52.037 0.067 0.000 0.814 201 A CB 1.370 20.408 19.000 0.064 0.000 1.206 201 A HN 0.562 nan 8.150 nan 0.000 0.482 202 K N 0.959 121.408 120.400 0.082 0.000 2.307 202 K HA 0.681 4.988 4.320 -0.021 0.000 0.263 202 K C 0.102 176.773 176.600 0.117 0.000 0.973 202 K CA 0.637 56.975 56.287 0.086 0.000 0.846 202 K CB 1.027 33.570 32.500 0.071 0.000 1.100 202 K HN 1.480 nan 8.250 nan 0.000 0.438 203 G N 1.003 109.880 108.800 0.129 0.000 2.367 203 G HA2 0.333 4.280 3.960 -0.021 0.000 0.272 203 G HA3 0.333 4.280 3.960 -0.021 0.000 0.272 203 G C -1.625 173.381 174.900 0.176 0.000 1.271 203 G CA -0.237 44.966 45.100 0.172 0.000 0.893 203 G HN 0.998 nan 8.290 nan 0.000 0.485 204 S N -1.276 114.560 115.700 0.225 0.000 2.541 204 S HA 0.748 5.205 4.470 -0.021 0.000 0.271 204 S C -1.161 173.616 174.600 0.295 0.000 1.133 204 S CA -0.746 57.590 58.200 0.226 0.000 0.876 204 S CB 1.878 65.185 63.200 0.177 0.000 1.105 204 S HN 0.905 nan 8.310 nan 0.000 0.470 205 I N 2.679 123.436 120.570 0.312 0.000 2.371 205 I HA 0.295 4.452 4.170 -0.021 0.000 0.282 205 I C 0.046 176.351 176.117 0.313 0.000 1.031 205 I CA -0.617 60.897 61.300 0.357 0.000 1.180 205 I CB 1.301 39.525 38.000 0.374 0.000 1.336 205 I HN 0.740 nan 8.210 nan 0.000 0.467 206 D N 4.311 124.851 120.400 0.233 0.000 2.194 206 D HA -0.047 4.580 4.640 -0.021 0.000 0.204 206 D C 0.574 176.944 176.300 0.116 0.000 0.964 206 D CA 1.212 55.295 54.000 0.138 0.000 0.846 206 D CB 0.617 41.482 40.800 0.108 0.000 0.962 206 D HN 0.564 nan 8.370 nan 0.000 0.490 207 E N -0.379 119.924 120.200 0.171 0.000 2.352 207 E HA 0.524 4.861 4.350 -0.021 0.000 0.280 207 E C -1.784 174.941 176.600 0.207 0.000 0.930 207 E CA -0.551 55.938 56.400 0.149 0.000 0.765 207 E CB 2.443 32.199 29.700 0.093 0.000 1.219 207 E HN -0.070 nan 8.360 nan 0.000 0.434 208 I N 2.157 122.850 120.570 0.205 0.000 2.656 208 I HA 0.523 4.681 4.170 -0.021 0.000 0.292 208 I C -1.680 174.502 176.117 0.108 0.000 1.144 208 I CA -0.249 61.172 61.300 0.202 0.000 1.038 208 I CB 1.951 40.120 38.000 0.281 0.000 1.244 208 I HN 0.471 nan 8.210 nan 0.000 0.420 209 S N 6.989 122.744 115.700 0.092 0.000 2.536 209 S HA 0.748 5.206 4.470 -0.021 0.000 0.287 209 S C -1.082 173.495 174.600 -0.038 0.000 1.101 209 S CA -0.545 57.627 58.200 -0.046 0.000 0.950 209 S CB 2.052 65.211 63.200 -0.069 0.000 1.056 209 S HN 0.433 nan 8.310 nan 0.000 0.481 210 L N 2.301 123.424 121.223 -0.165 0.000 2.354 210 L HA 0.721 5.048 4.340 -0.021 0.000 0.269 210 L C -1.367 175.251 176.870 -0.420 0.000 1.005 210 L CA -0.254 54.525 54.840 -0.102 0.000 0.819 210 L CB 1.133 43.233 42.059 0.068 0.000 1.311 210 L HN 0.600 nan 8.230 nan 0.000 0.423 211 F N 0.466 120.466 119.950 0.084 0.000 2.551 211 F HA 0.413 4.927 4.527 -0.021 0.000 0.316 211 F C 0.553 176.387 175.800 0.056 0.000 1.089 211 F CA -0.815 57.222 58.000 0.062 0.000 0.915 211 F CB 1.509 40.533 39.000 0.039 0.000 1.186 211 F HN 0.349 nan 8.300 nan 0.000 0.456 212 N N 3.313 122.136 118.700 0.204 0.000 3.259 212 N HA 0.113 4.840 4.740 -0.021 0.000 0.308 212 N C -0.726 174.856 175.510 0.121 0.000 1.334 212 N CA 0.080 53.212 53.050 0.137 0.000 1.202 212 N CB 0.176 38.721 38.487 0.097 0.000 1.485 212 N HN 0.588 nan 8.380 nan 0.000 0.549 213 K N -0.504 119.974 120.400 0.130 0.000 2.568 213 K HA 0.480 4.788 4.320 -0.021 0.000 0.273 213 K C -1.592 175.024 176.600 0.026 0.000 0.951 213 K CA -0.674 55.649 56.287 0.059 0.000 0.854 213 K CB 1.836 34.362 32.500 0.043 0.000 1.424 213 K HN 0.032 nan 8.250 nan 0.000 0.427 214 A N 4.992 127.797 122.820 -0.025 0.000 2.343 214 A HA 0.354 4.662 4.320 -0.021 0.000 0.305 214 A C 0.361 177.897 177.584 -0.081 0.000 1.308 214 A CA -0.743 51.258 52.037 -0.060 0.000 0.949 214 A CB -0.786 18.159 19.000 -0.092 0.000 1.148 214 A HN 0.660 nan 8.150 nan 0.000 0.545 215 I N 1.413 121.917 120.570 -0.109 0.000 2.836 215 I HA 0.392 4.550 4.170 -0.021 0.000 0.285 215 I C 0.702 176.750 176.117 -0.115 0.000 1.174 215 I CA -0.340 60.872 61.300 -0.148 0.000 1.405 215 I CB 0.858 38.712 38.000 -0.244 0.000 1.385 215 I HN 0.565 nan 8.210 nan 0.000 0.594 216 S N 2.172 117.806 115.700 -0.111 0.000 2.593 216 S HA 0.041 4.498 4.470 -0.021 0.000 0.269 216 S C 0.644 175.184 174.600 -0.099 0.000 1.334 216 S CA 0.037 58.185 58.200 -0.087 0.000 1.015 216 S CB 1.385 64.538 63.200 -0.078 0.000 0.912 216 S HN 0.874 nan 8.310 nan 0.000 0.541 217 D N 0.968 121.332 120.400 -0.060 0.000 2.190 217 D HA -0.175 4.453 4.640 -0.021 0.000 0.200 217 D C 1.810 178.040 176.300 -0.117 0.000 0.992 217 D CA 1.717 55.676 54.000 -0.068 0.000 0.854 217 D CB -0.083 40.730 40.800 0.022 0.000 0.936 217 D HN 0.673 nan 8.370 nan 0.000 0.462 218 Q N 0.226 119.973 119.800 -0.089 0.000 2.046 218 Q HA -0.055 4.272 4.340 -0.021 0.000 0.200 218 Q C 2.146 178.078 176.000 -0.113 0.000 0.975 218 Q CA 1.201 56.952 55.803 -0.087 0.000 0.836 218 Q CB -0.184 28.516 28.738 -0.064 0.000 0.896 218 Q HN 0.415 nan 8.270 nan 0.000 0.428 219 E N -0.027 120.098 120.200 -0.126 0.000 2.077 219 E HA -0.161 4.177 4.350 -0.021 0.000 0.193 219 E C 1.996 178.484 176.600 -0.186 0.000 0.989 219 E CA 1.274 57.585 56.400 -0.148 0.000 0.800 219 E CB -0.070 29.532 29.700 -0.163 0.000 0.746 219 E HN 0.108 nan 8.360 nan 0.000 0.452 220 V N 1.536 121.307 119.914 -0.237 0.000 2.332 220 V HA -0.299 3.808 4.120 -0.021 0.000 0.248 220 V C 2.480 178.408 176.094 -0.276 0.000 1.055 220 V CA 2.093 64.193 62.300 -0.332 0.000 1.038 220 V CB -0.711 30.743 31.823 -0.615 0.000 0.651 220 V HN 0.396 nan 8.190 nan 0.000 0.450 221 S N 0.484 116.051 115.700 -0.222 0.000 2.469 221 S HA -0.184 4.274 4.470 -0.021 0.000 0.238 221 S C 1.875 176.406 174.600 -0.115 0.000 0.998 221 S CA 1.580 59.688 58.200 -0.154 0.000 0.957 221 S CB -0.740 62.394 63.200 -0.110 0.000 0.764 221 S HN 0.786 nan 8.310 nan 0.000 0.514 222 T N -0.599 113.886 114.554 -0.115 0.000 3.081 222 T HA 0.330 4.668 4.350 -0.021 0.000 0.255 222 T C 0.609 175.261 174.700 -0.080 0.000 1.113 222 T CA -0.337 61.711 62.100 -0.088 0.000 1.082 222 T CB -0.745 68.073 68.868 -0.083 0.000 0.939 222 T HN 0.427 nan 8.240 nan 0.000 0.506 223 I N 4.205 124.719 120.570 -0.094 0.000 2.533 223 I HA 0.216 4.373 4.170 -0.021 0.000 0.284 223 I C -1.789 174.297 176.117 -0.050 0.000 1.109 223 I CA -2.202 59.059 61.300 -0.066 0.000 1.412 223 I CB 0.531 38.490 38.000 -0.069 0.000 1.396 223 I HN 0.123 nan 8.210 nan 0.000 0.543 224 P HA 0.191 nan 4.420 nan 0.000 0.269 224 P C -0.885 176.395 177.300 -0.032 0.000 1.209 224 P CA 0.043 63.123 63.100 -0.033 0.000 0.776 224 P CB 0.788 32.475 31.700 -0.022 0.000 0.876 225 L N 1.183 122.376 121.223 -0.050 0.000 2.323 225 L HA 0.410 4.737 4.340 -0.021 0.000 0.265 225 L C 0.574 177.398 176.870 -0.077 0.000 1.012 225 L CA -0.560 54.243 54.840 -0.061 0.000 0.820 225 L CB 1.931 43.936 42.059 -0.090 0.000 1.334 225 L HN 0.227 nan 8.230 nan 0.000 0.427 226 S N 0.684 116.334 115.700 -0.083 0.000 2.422 226 S HA 0.265 4.722 4.470 -0.021 0.000 0.226 226 S C -0.378 174.130 174.600 -0.153 0.000 1.242 226 S CA -0.702 57.442 58.200 -0.093 0.000 1.231 226 S CB -0.346 62.823 63.200 -0.051 0.000 1.067 226 S HN 0.486 nan 8.310 nan 0.000 0.462 227 N N 3.629 122.179 118.700 -0.250 0.000 2.520 227 N HA 0.226 4.953 4.740 -0.021 0.000 0.273 227 N C -1.507 173.720 175.510 -0.470 0.000 1.155 227 N CA -1.518 51.272 53.050 -0.433 0.000 0.967 227 N CB 0.705 38.705 38.487 -0.812 0.000 1.092 227 N HN 0.183 nan 8.380 nan 0.000 0.457 228 P HA 0.067 nan 4.420 nan 0.000 0.249 228 P C -0.543 176.371 177.300 -0.644 0.000 1.229 228 P CA 0.442 63.101 63.100 -0.735 0.000 0.788 228 P CB 0.077 31.061 31.700 -1.194 0.000 1.072 229 F N -1.358 118.285 119.950 -0.511 0.000 2.631 229 F HA 0.741 5.256 4.527 -0.021 0.000 0.328 229 F C -0.525 175.238 175.800 -0.062 0.000 1.067 229 F CA -1.453 56.411 58.000 -0.227 0.000 0.969 229 F CB 1.017 39.949 39.000 -0.114 0.000 1.332 229 F HN -0.366 nan 8.300 nan 0.000 0.490 230 Q N 1.212 121.141 119.800 0.214 0.000 2.416 230 Q HA 0.696 5.023 4.340 -0.021 0.000 0.279 230 Q C -1.563 174.583 176.000 0.243 0.000 1.101 230 Q CA -1.113 54.774 55.803 0.141 0.000 0.830 230 Q CB 3.196 32.057 28.738 0.206 0.000 1.402 230 Q HN 0.668 nan 8.270 nan 0.000 0.445 231 L N 1.782 123.052 121.223 0.079 0.000 2.322 231 L HA 0.431 4.759 4.340 -0.021 0.000 0.281 231 L C 0.388 177.092 176.870 -0.277 0.000 1.014 231 L CA -0.240 54.575 54.840 -0.042 0.000 0.815 231 L CB 1.156 43.215 42.059 0.001 0.000 1.247 231 L HN 0.669 nan 8.230 nan 0.000 0.421 232 I N 1.013 121.275 120.570 -0.514 0.000 2.685 232 I HA 0.088 4.245 4.170 -0.021 0.000 0.251 232 I C -0.067 175.466 176.117 -0.972 0.000 1.102 232 I CA 0.683 61.425 61.300 -0.930 0.000 1.442 232 I CB 0.352 37.500 38.000 -1.420 0.000 1.194 232 I HN 0.290 nan 8.210 nan 0.000 0.448 233 F N 2.048 121.678 119.950 -0.533 0.000 2.450 233 F HA 0.493 5.007 4.527 -0.022 0.000 0.332 233 F C 0.070 175.409 175.800 -0.770 0.000 1.093 233 F CA -0.661 56.864 58.000 -0.791 0.000 1.003 233 F CB 1.242 39.464 39.000 -1.296 0.000 1.151 233 F HN 0.028 nan 8.300 nan 0.000 0.474 234 Q N 0.160 119.746 119.800 -0.356 0.000 2.522 234 Q HA 0.447 4.775 4.340 -0.021 0.000 0.285 234 Q C -1.550 174.578 176.000 0.214 0.000 0.982 234 Q CA -1.099 54.686 55.803 -0.031 0.000 0.805 234 Q CB 1.617 30.335 28.738 -0.032 0.000 1.457 234 Q HN 0.466 nan 8.270 nan 0.000 0.394 235 S N 0.221 116.047 115.700 0.210 0.000 2.546 235 S HA 0.404 4.861 4.470 -0.021 0.000 0.290 235 S C 1.094 175.748 174.600 0.091 0.000 1.290 235 S CA 1.080 59.354 58.200 0.123 0.000 1.069 235 S CB 0.299 63.505 63.200 0.010 0.000 0.846 235 S HN 1.156 nan 8.310 nan 0.000 0.495 236 G N 2.576 111.431 108.800 0.092 0.000 2.175 236 G HA2 -0.239 3.709 3.960 -0.021 0.000 0.244 236 G HA3 -0.239 3.709 3.960 -0.021 0.000 0.244 236 G C -0.089 174.862 174.900 0.085 0.000 0.982 236 G CA 0.108 45.256 45.100 0.080 0.000 0.641 236 G HN 0.814 nan 8.290 nan 0.000 0.527 237 D N 0.834 121.295 120.400 0.103 0.000 2.356 237 D HA 0.444 5.071 4.640 -0.021 0.000 0.258 237 D C 1.944 178.303 176.300 0.099 0.000 1.279 237 D CA 0.634 54.682 54.000 0.078 0.000 1.016 237 D CB -0.212 40.619 40.800 0.052 0.000 1.107 237 D HN 0.584 nan 8.370 nan 0.000 0.544 238 S N -1.954 113.783 115.700 0.061 0.000 2.469 238 S HA -0.209 4.248 4.470 -0.021 0.000 0.238 238 S C 1.806 176.453 174.600 0.079 0.000 0.998 238 S CA 1.457 59.688 58.200 0.053 0.000 0.957 238 S CB -1.404 61.789 63.200 -0.012 0.000 0.764 238 S HN 0.743 nan 8.310 nan 0.000 0.514 239 T N -1.856 112.767 114.554 0.115 0.000 2.985 239 T HA -0.012 4.326 4.350 -0.021 0.000 0.266 239 T C 0.983 175.951 174.700 0.448 0.000 1.076 239 T CA 0.880 63.129 62.100 0.248 0.000 1.135 239 T CB -0.552 68.492 68.868 0.293 0.000 0.890 239 T HN 0.288 nan 8.240 nan 0.000 0.480 240 Q N -0.099 119.877 119.800 0.293 0.000 2.439 240 Q HA -0.164 4.163 4.340 -0.021 0.000 0.247 240 Q C 0.275 176.408 176.000 0.222 0.000 0.899 240 Q CA 0.927 56.893 55.803 0.271 0.000 1.201 240 Q CB -2.454 26.467 28.738 0.305 0.000 1.608 240 Q HN 0.932 nan 8.270 nan 0.000 0.563 241 A N 0.752 123.512 122.820 -0.100 0.000 2.331 241 A HA 0.431 4.738 4.320 -0.021 0.000 0.283 241 A C 0.998 178.242 177.584 -0.567 0.000 1.142 241 A CA 0.122 51.725 52.037 -0.723 0.000 0.812 241 A CB 0.410 18.601 19.000 -1.349 0.000 1.074 241 A HN 0.187 nan 8.150 nan 0.000 0.497 242 N N 0.160 118.525 118.700 -0.558 0.000 2.412 242 N HA 0.098 4.826 4.740 -0.021 0.000 0.184 242 N C -0.999 173.746 175.510 -1.276 0.000 1.101 242 N CA 0.715 53.315 53.050 -0.750 0.000 0.881 242 N CB -0.106 37.958 38.487 -0.706 0.000 0.969 242 N HN 0.665 nan 8.380 nan 0.000 0.459 243 Y N -1.410 118.501 120.300 -0.648 0.000 2.545 243 Y HA 0.530 5.067 4.550 -0.021 0.000 0.348 243 Y C -0.967 174.295 175.900 -1.063 0.000 1.002 243 Y CA -1.067 56.682 58.100 -0.585 0.000 1.039 243 Y CB 1.251 39.468 38.460 -0.405 0.000 1.271 243 Y HN -0.284 nan 8.280 nan 0.000 0.467 244 F N 0.673 120.594 119.950 -0.049 0.000 2.601 244 F HA 0.786 5.300 4.527 -0.022 0.000 0.309 244 F C -0.242 175.517 175.800 -0.067 0.000 1.089 244 F CA -1.082 56.855 58.000 -0.105 0.000 0.940 244 F CB 2.352 41.278 39.000 -0.124 0.000 1.273 244 F HN 0.252 nan 8.300 nan 0.000 0.450 245 R N 1.390 121.938 120.500 0.080 0.000 2.752 245 R HA 0.624 4.952 4.340 -0.021 0.000 0.271 245 R C -1.413 174.893 176.300 0.010 0.000 1.026 245 R CA -1.019 55.099 56.100 0.031 0.000 0.901 245 R CB 2.293 32.564 30.300 -0.049 0.000 1.243 245 R HN 0.640 nan 8.270 nan 0.000 0.463 246 I N -0.442 120.134 120.570 0.010 0.000 6.579 246 I HA -0.138 4.020 4.170 -0.021 0.000 0.126 246 I C -2.366 173.824 176.117 0.122 0.000 1.827 246 I CA -0.220 61.141 61.300 0.101 0.000 2.040 246 I CB -2.318 35.726 38.000 0.073 0.000 3.510 246 I HN 0.480 nan 8.210 nan 0.000 0.170 247 P HA 0.370 nan 4.420 nan 0.000 0.274 247 P C 0.258 177.673 177.300 0.191 0.000 1.231 247 P CA 0.432 63.618 63.100 0.144 0.000 0.790 247 P CB 1.575 33.375 31.700 0.167 0.000 0.951 248 T N -0.470 114.205 114.554 0.202 0.000 2.896 248 T HA 0.772 5.110 4.350 -0.021 0.000 0.297 248 T C -0.930 173.944 174.700 0.291 0.000 1.108 248 T CA -0.794 61.454 62.100 0.247 0.000 1.004 248 T CB 1.067 70.081 68.868 0.243 0.000 1.159 248 T HN 0.252 nan 8.240 nan 0.000 0.499 249 L N 1.353 122.773 121.223 0.328 0.000 2.472 249 L HA 0.681 5.008 4.340 -0.021 0.000 0.260 249 L C -1.796 175.322 176.870 0.414 0.000 0.963 249 L CA -1.027 54.038 54.840 0.375 0.000 0.829 249 L CB 2.677 44.956 42.059 0.367 0.000 1.348 249 L HN 0.902 nan 8.230 nan 0.000 0.408 250 Y N 0.397 120.868 120.300 0.285 0.000 2.442 250 Y HA 0.366 4.903 4.550 -0.021 0.000 0.330 250 Y C -0.678 175.357 175.900 0.225 0.000 1.100 250 Y CA -0.510 57.735 58.100 0.242 0.000 1.034 250 Y CB 2.221 40.823 38.460 0.237 0.000 1.285 250 Y HN 0.469 nan 8.280 nan 0.000 0.440 251 T N 6.748 121.377 114.554 0.125 0.000 2.743 251 T HA 0.456 4.793 4.350 -0.021 0.000 0.293 251 T C -0.105 174.752 174.700 0.262 0.000 0.945 251 T CA -0.364 61.840 62.100 0.173 0.000 1.030 251 T CB 0.127 69.038 68.868 0.072 0.000 0.912 251 T HN 0.404 nan 8.240 nan 0.000 0.483 252 L N 2.262 123.644 121.223 0.265 0.000 2.439 252 L HA 0.302 4.629 4.340 -0.021 0.000 0.259 252 L C 2.040 178.987 176.870 0.128 0.000 1.129 252 L CA -0.724 54.257 54.840 0.233 0.000 0.803 252 L CB 0.806 42.957 42.059 0.154 0.000 1.161 252 L HN 0.750 nan 8.230 nan 0.000 0.462 253 S N -1.009 114.756 115.700 0.108 0.000 2.419 253 S HA -0.177 4.280 4.470 -0.021 0.000 0.233 253 S C 1.781 176.398 174.600 0.028 0.000 1.016 253 S CA 1.057 59.296 58.200 0.064 0.000 0.974 253 S CB -0.482 62.753 63.200 0.058 0.000 0.786 253 S HN 0.810 nan 8.310 nan 0.000 0.492 254 S N 0.731 116.440 115.700 0.015 0.000 2.481 254 S HA 0.338 4.796 4.470 -0.021 0.000 0.231 254 S C 1.762 176.351 174.600 -0.018 0.000 0.996 254 S CA 0.845 59.037 58.200 -0.013 0.000 0.942 254 S CB -0.754 62.425 63.200 -0.036 0.000 0.768 254 S HN 1.498 nan 8.310 nan 0.000 0.520 255 G N 1.143 109.941 108.800 -0.003 0.000 2.213 255 G HA2 -0.267 3.680 3.960 -0.021 0.000 0.226 255 G HA3 -0.267 3.680 3.960 -0.021 0.000 0.226 255 G C 0.155 175.045 174.900 -0.018 0.000 0.992 255 G CA -0.052 45.039 45.100 -0.015 0.000 0.632 255 G HN 0.755 nan 8.290 nan 0.000 0.511 256 R N 0.637 121.127 120.500 -0.017 0.000 2.537 256 R HA 0.456 4.783 4.340 -0.021 0.000 0.280 256 R C -0.192 176.140 176.300 0.054 0.000 1.058 256 R CA 0.112 56.202 56.100 -0.018 0.000 1.057 256 R CB 0.521 30.785 30.300 -0.061 0.000 0.973 256 R HN 0.104 nan 8.270 nan 0.000 0.438 257 V N 6.350 126.291 119.914 0.045 0.000 2.398 257 V HA 0.327 4.434 4.120 -0.021 0.000 0.286 257 V C -0.475 175.801 176.094 0.303 0.000 1.026 257 V CA -0.832 61.567 62.300 0.165 0.000 0.868 257 V CB 1.299 33.200 31.823 0.130 0.000 0.982 257 V HN 0.609 nan 8.190 nan 0.000 0.443 258 L N 4.223 125.697 121.223 0.419 0.000 2.334 258 L HA 0.836 5.163 4.340 -0.021 0.000 0.276 258 L C -0.097 177.087 176.870 0.523 0.000 1.014 258 L CA 0.419 55.556 54.840 0.496 0.000 0.815 258 L CB 2.145 44.463 42.059 0.433 0.000 1.268 258 L HN 0.696 nan 8.230 nan 0.000 0.428 259 S N 2.016 118.025 115.700 0.514 0.000 2.538 259 S HA 0.863 5.321 4.470 -0.021 0.000 0.288 259 S C -0.897 173.962 174.600 0.431 0.000 1.108 259 S CA -0.163 58.287 58.200 0.417 0.000 0.971 259 S CB 1.139 64.498 63.200 0.266 0.000 1.041 259 S HN 0.943 nan 8.310 nan 0.000 0.483 260 S N 4.026 119.903 115.700 0.295 0.000 2.638 260 S HA 0.906 5.363 4.470 -0.021 0.000 0.302 260 S C -0.726 173.851 174.600 -0.038 0.000 1.096 260 S CA -0.658 57.619 58.200 0.129 0.000 0.953 260 S CB 1.454 64.680 63.200 0.043 0.000 1.107 260 S HN 0.865 nan 8.310 nan 0.000 0.503 261 I N 0.078 120.502 120.570 -0.244 0.000 2.984 261 I HA 0.362 4.519 4.170 -0.021 0.000 0.303 261 I C -1.954 174.050 176.117 -0.188 0.000 1.381 261 I CA -0.621 60.496 61.300 -0.305 0.000 0.988 261 I CB 2.228 39.752 38.000 -0.794 0.000 1.307 261 I HN 0.658 nan 8.210 nan 0.000 0.460 262 D N 4.823 125.172 120.400 -0.086 0.000 2.325 262 D HA 0.435 5.063 4.640 -0.021 0.000 0.251 262 D C -0.198 176.075 176.300 -0.045 0.000 1.196 262 D CA 0.258 54.232 54.000 -0.044 0.000 0.866 262 D CB 1.425 42.205 40.800 -0.033 0.000 1.101 262 D HN 0.540 nan 8.370 nan 0.000 0.476 263 A N 4.567 127.361 122.820 -0.043 0.000 2.415 263 A HA 0.277 4.584 4.320 -0.021 0.000 0.309 263 A C 0.276 177.610 177.584 -0.417 0.000 1.356 263 A CA -0.523 51.368 52.037 -0.243 0.000 0.998 263 A CB 0.098 19.097 19.000 -0.003 0.000 1.145 263 A HN 0.409 nan 8.150 nan 0.000 0.545 264 R N 2.628 122.797 120.500 -0.550 0.000 2.229 264 R HA 0.342 4.669 4.340 -0.021 0.000 0.332 264 R C -0.582 175.461 176.300 -0.428 0.000 0.989 264 R CA -0.186 55.705 56.100 -0.350 0.000 0.842 264 R CB 0.758 30.914 30.300 -0.240 0.000 1.119 264 R HN 0.835 nan 8.270 nan 0.000 0.456 265 Y N 0.613 120.807 120.300 -0.176 0.000 2.301 265 Y HA 0.085 4.622 4.550 -0.021 0.000 0.295 265 Y C 2.105 177.831 175.900 -0.289 0.000 1.119 265 Y CA 0.545 58.567 58.100 -0.130 0.000 1.162 265 Y CB 0.357 38.781 38.460 -0.059 0.000 1.046 265 Y HN 0.677 nan 8.280 nan 0.000 0.538 266 G N 0.548 109.074 108.800 -0.457 0.000 3.458 266 G HA2 0.438 4.386 3.960 -0.021 0.000 0.256 266 G HA3 0.438 4.386 3.960 -0.021 0.000 0.256 266 G C 0.618 174.348 174.900 -1.951 0.000 0.938 266 G CA 0.302 44.552 45.100 -1.417 0.000 1.890 266 G HN 0.600 nan 8.290 nan 0.000 0.639 267 G N 0.869 108.639 108.800 -1.716 0.000 2.697 267 G HA2 -0.151 3.796 3.960 -0.021 0.000 0.240 267 G HA3 -0.151 3.796 3.960 -0.021 0.000 0.240 267 G C 1.082 175.366 174.900 -1.027 0.000 1.346 267 G CA 0.538 44.537 45.100 -1.834 0.000 0.887 267 G HN 1.262 nan 8.290 nan 0.000 0.569 268 T N -2.454 111.723 114.554 -0.629 0.000 3.169 268 T HA 0.216 4.553 4.350 -0.021 0.000 0.250 268 T C 0.951 175.480 174.700 -0.285 0.000 1.111 268 T CA 0.910 62.788 62.100 -0.370 0.000 1.010 268 T CB -0.234 68.488 68.868 -0.244 0.000 0.984 268 T HN 0.730 nan 8.240 nan 0.000 0.537 269 H N 2.932 121.877 119.070 -0.209 0.000 2.972 269 H HA 0.154 4.697 4.556 -0.021 0.000 0.343 269 H C 0.224 175.448 175.328 -0.174 0.000 1.054 269 H CA -0.010 55.932 56.048 -0.176 0.000 1.412 269 H CB 0.344 30.005 29.762 -0.168 0.000 1.385 269 H HN 0.399 nan 8.280 nan 0.000 0.600 270 D N 0.846 121.240 120.400 -0.009 0.000 2.363 270 D HA 0.004 4.631 4.640 -0.021 0.000 0.240 270 D C 0.359 176.630 176.300 -0.048 0.000 1.236 270 D CA -0.168 53.804 54.000 -0.046 0.000 0.927 270 D CB 0.505 41.270 40.800 -0.057 0.000 1.150 270 D HN 0.347 nan 8.370 nan 0.000 0.458 271 S N -0.047 115.626 115.700 -0.046 0.000 2.558 271 S HA -0.014 4.443 4.470 -0.021 0.000 0.287 271 S C 0.482 175.043 174.600 -0.065 0.000 1.321 271 S CA -0.258 57.909 58.200 -0.055 0.000 1.048 271 S CB 0.147 63.329 63.200 -0.030 0.000 0.844 271 S HN 0.313 nan 8.310 nan 0.000 0.512 272 K N 0.916 121.266 120.400 -0.084 0.000 2.412 272 K HA 0.422 4.729 4.320 -0.021 0.000 0.281 272 K C 0.077 176.601 176.600 -0.127 0.000 1.027 272 K CA -0.189 56.036 56.287 -0.104 0.000 0.989 272 K CB 0.583 33.016 32.500 -0.112 0.000 0.935 272 K HN 0.374 nan 8.250 nan 0.000 0.475 273 S N 1.378 116.989 115.700 -0.148 0.000 2.671 273 S HA 0.213 4.670 4.470 -0.021 0.000 0.270 273 S C -1.966 172.513 174.600 -0.201 0.000 1.166 273 S CA -1.065 57.035 58.200 -0.168 0.000 0.868 273 S CB 1.002 64.124 63.200 -0.130 0.000 1.190 273 S HN 0.740 nan 8.310 nan 0.000 0.494 274 K N 1.807 122.104 120.400 -0.171 0.000 2.293 274 K HA 0.723 5.030 4.320 -0.021 0.000 0.267 274 K C -1.503 175.161 176.600 0.107 0.000 1.010 274 K CA -0.382 55.846 56.287 -0.098 0.000 0.875 274 K CB 0.253 32.664 32.500 -0.147 0.000 1.106 274 K HN 0.551 nan 8.250 nan 0.000 0.450 275 I N 3.390 124.039 120.570 0.132 0.000 2.607 275 I HA 0.288 4.446 4.170 -0.021 0.000 0.290 275 I C -0.835 175.439 176.117 0.262 0.000 1.129 275 I CA -1.089 60.332 61.300 0.201 0.000 1.042 275 I CB 2.212 40.256 38.000 0.073 0.000 1.242 275 I HN 0.570 nan 8.210 nan 0.000 0.421 276 N N 5.008 123.898 118.700 0.316 0.000 2.402 276 N HA 0.566 5.293 4.740 -0.021 0.000 0.294 276 N C -0.983 174.611 175.510 0.140 0.000 1.203 276 N CA -0.608 52.579 53.050 0.228 0.000 0.838 276 N CB 2.243 40.815 38.487 0.141 0.000 1.306 276 N HN 0.308 nan 8.380 nan 0.000 0.510 277 I N 1.101 121.655 120.570 -0.026 0.000 2.315 277 I HA 0.435 4.592 4.170 -0.021 0.000 0.291 277 I C 0.424 176.556 176.117 0.025 0.000 1.006 277 I CA -0.858 60.391 61.300 -0.085 0.000 1.265 277 I CB 0.191 38.024 38.000 -0.279 0.000 1.387 277 I HN 0.409 nan 8.210 nan 0.000 0.475 278 A N 5.314 128.136 122.820 0.004 0.000 2.330 278 A HA 0.926 5.233 4.320 -0.021 0.000 0.329 278 A C 0.015 177.625 177.584 0.044 0.000 1.135 278 A CA -0.383 51.672 52.037 0.031 0.000 0.817 278 A CB 1.444 20.450 19.000 0.011 0.000 1.269 278 A HN 0.756 nan 8.150 nan 0.000 0.469 279 T N -1.779 112.928 114.554 0.254 0.000 2.896 279 T HA 0.789 5.127 4.350 -0.021 0.000 0.297 279 T C -0.437 174.536 174.700 0.455 0.000 1.108 279 T CA -0.396 61.967 62.100 0.439 0.000 1.004 279 T CB 1.580 70.754 68.868 0.509 0.000 1.159 279 T HN 1.486 nan 8.240 nan 0.000 0.499 280 S N 0.580 116.519 115.700 0.398 0.000 2.550 280 S HA 0.766 5.223 4.470 -0.021 0.000 0.270 280 S C -1.952 172.841 174.600 0.320 0.000 1.145 280 S CA -0.889 57.376 58.200 0.108 0.000 0.852 280 S CB 1.045 64.074 63.200 -0.284 0.000 1.119 280 S HN 1.031 nan 8.310 nan 0.000 0.465 281 Y N -0.104 120.364 120.300 0.280 0.000 2.609 281 Y HA 0.860 5.397 4.550 -0.021 0.000 0.342 281 Y C -0.349 175.423 175.900 -0.214 0.000 1.058 281 Y CA -1.143 57.055 58.100 0.164 0.000 1.055 281 Y CB 1.282 39.789 38.460 0.077 0.000 1.292 281 Y HN 0.528 nan 8.280 nan 0.000 0.476 282 S N 0.224 115.668 115.700 -0.428 0.000 2.532 282 S HA 0.405 4.862 4.470 -0.021 0.000 0.299 282 S C -0.951 173.458 174.600 -0.318 0.000 1.105 282 S CA -0.630 57.114 58.200 -0.759 0.000 1.018 282 S CB 0.926 63.114 63.200 -1.686 0.000 1.021 282 S HN 0.752 nan 8.310 nan 0.000 0.483 283 D N 2.373 122.647 120.400 -0.210 0.000 2.402 283 D HA 0.166 4.794 4.640 -0.021 0.000 0.216 283 D C -0.369 175.843 176.300 -0.148 0.000 1.128 283 D CA 0.211 54.135 54.000 -0.127 0.000 0.833 283 D CB 0.516 41.281 40.800 -0.057 0.000 0.971 283 D HN 0.727 nan 8.370 nan 0.000 0.503 284 D N -0.633 119.641 120.400 -0.210 0.000 2.945 284 D HA 0.058 4.686 4.640 -0.021 0.000 0.366 284 D C -0.050 176.147 176.300 -0.172 0.000 1.352 284 D CA -0.647 53.252 54.000 -0.168 0.000 0.810 284 D CB -0.529 40.182 40.800 -0.148 0.000 1.170 284 D HN -0.283 nan 8.370 nan 0.000 0.461 285 N N 0.852 119.454 118.700 -0.163 0.000 2.735 285 N HA -0.177 4.550 4.740 -0.021 0.000 0.248 285 N C 1.119 176.590 175.510 -0.065 0.000 1.083 285 N CA 1.276 54.261 53.050 -0.108 0.000 0.703 285 N CB -1.185 37.226 38.487 -0.126 0.000 1.005 285 N HN 0.811 nan 8.380 nan 0.000 0.550 286 G N -0.772 107.887 108.800 -0.235 0.000 2.184 286 G HA2 -0.392 3.555 3.960 -0.021 0.000 0.264 286 G HA3 -0.392 3.555 3.960 -0.021 0.000 0.264 286 G C 1.049 175.916 174.900 -0.055 0.000 0.975 286 G CA 0.996 45.971 45.100 -0.208 0.000 0.642 286 G HN 0.541 nan 8.290 nan 0.000 0.536 287 K N 0.062 120.398 120.400 -0.107 0.000 2.097 287 K HA 0.068 4.376 4.320 -0.021 0.000 0.205 287 K C 1.454 178.021 176.600 -0.056 0.000 1.050 287 K CA 1.601 57.874 56.287 -0.022 0.000 0.938 287 K CB -0.091 32.379 32.500 -0.049 0.000 0.718 287 K HN 0.715 nan 8.250 nan 0.000 0.442 288 T N -2.576 111.831 114.554 -0.245 0.000 2.896 288 T HA 0.509 4.846 4.350 -0.021 0.000 0.297 288 T C -1.465 172.916 174.700 -0.532 0.000 1.108 288 T CA -1.004 60.975 62.100 -0.201 0.000 1.004 288 T CB 1.331 70.119 68.868 -0.134 0.000 1.159 288 T HN 0.120 nan 8.240 nan 0.000 0.499 289 W N 1.133 122.306 121.300 -0.213 0.000 2.936 289 W HA 0.616 5.263 4.660 -0.021 0.000 0.338 289 W C 0.428 176.752 176.519 -0.325 0.000 1.121 289 W CA -0.713 56.456 57.345 -0.293 0.000 1.209 289 W CB 1.999 31.235 29.460 -0.373 0.000 1.420 289 W HN 0.994 nan 8.180 nan 0.000 0.516 290 S N 0.342 115.883 115.700 -0.265 0.000 2.593 290 S HA 0.244 4.701 4.470 -0.021 0.000 0.269 290 S C 0.020 174.472 174.600 -0.248 0.000 1.334 290 S CA -0.742 57.235 58.200 -0.372 0.000 1.015 290 S CB 0.733 63.402 63.200 -0.885 0.000 0.912 290 S HN 0.517 nan 8.310 nan 0.000 0.541 291 E N 2.233 122.327 120.200 -0.178 0.000 2.415 291 E HA 0.123 4.461 4.350 -0.021 0.000 0.263 291 E C -2.165 174.366 176.600 -0.116 0.000 0.995 291 E CA -1.198 55.129 56.400 -0.122 0.000 0.915 291 E CB -0.137 29.522 29.700 -0.068 0.000 0.951 291 E HN 0.457 nan 8.360 nan 0.000 0.449 292 P HA -0.020 nan 4.420 nan 0.000 0.267 292 P C -0.411 176.851 177.300 -0.063 0.000 1.200 292 P CA 0.421 63.512 63.100 -0.016 0.000 0.772 292 P CB 0.396 32.156 31.700 0.100 0.000 0.855 293 I N -2.307 118.260 120.570 -0.005 0.000 3.170 293 I HA 0.592 4.749 4.170 -0.021 0.000 0.312 293 I C -0.824 175.228 176.117 -0.108 0.000 1.085 293 I CA -1.293 59.977 61.300 -0.049 0.000 0.999 293 I CB 1.412 39.512 38.000 0.166 0.000 1.233 293 I HN -0.032 nan 8.210 nan 0.000 0.467 294 F N 1.281 121.349 119.950 0.197 0.000 2.394 294 F HA 0.632 5.146 4.527 -0.021 0.000 0.340 294 F C 1.131 176.963 175.800 0.054 0.000 1.105 294 F CA -0.206 57.852 58.000 0.096 0.000 1.124 294 F CB 1.771 40.815 39.000 0.072 0.000 1.145 294 F HN 0.620 nan 8.300 nan 0.000 0.505 295 A N 3.682 126.467 122.820 -0.060 0.000 1.956 295 A HA 0.323 4.631 4.320 -0.021 0.000 0.212 295 A C 0.470 177.831 177.584 -0.371 0.000 1.188 295 A CA 0.738 52.449 52.037 -0.543 0.000 0.675 295 A CB 0.065 18.318 19.000 -1.246 0.000 0.845 295 A HN 0.668 nan 8.150 nan 0.000 0.455 296 M N 0.276 119.590 119.600 -0.476 0.000 2.271 296 M HA 0.368 4.835 4.480 -0.021 0.000 0.285 296 M C -1.345 174.464 176.300 -0.818 0.000 1.059 296 M CA -0.430 54.322 55.300 -0.912 0.000 0.940 296 M CB 2.566 34.040 32.600 -1.877 0.000 1.636 296 M HN 0.354 nan 8.290 nan 0.000 0.460 297 K N 1.352 121.442 120.400 -0.518 0.000 2.532 297 K HA 0.791 5.098 4.320 -0.021 0.000 0.265 297 K C -1.985 174.616 176.600 0.003 0.000 0.948 297 K CA -0.768 55.379 56.287 -0.233 0.000 0.842 297 K CB 2.197 34.424 32.500 -0.455 0.000 1.392 297 K HN 0.354 nan 8.250 nan 0.000 0.436 298 F N 0.641 120.735 119.950 0.240 0.000 2.556 298 F HA 0.438 4.952 4.527 -0.021 0.000 0.327 298 F C 0.603 176.462 175.800 0.099 0.000 1.059 298 F CA -1.117 57.037 58.000 0.257 0.000 0.953 298 F CB 2.026 41.158 39.000 0.220 0.000 1.227 298 F HN 0.606 nan 8.300 nan 0.000 0.478 299 N N 0.732 119.674 118.700 0.402 0.000 2.197 299 N HA -0.011 4.717 4.740 -0.021 0.000 0.228 299 N C 0.722 176.215 175.510 -0.028 0.000 1.212 299 N CA 0.197 53.341 53.050 0.157 0.000 0.883 299 N CB 0.198 38.799 38.487 0.191 0.000 1.107 299 N HN 0.612 nan 8.380 nan 0.000 0.519 300 D N -0.269 119.897 120.400 -0.390 0.000 2.178 300 D HA -0.175 4.452 4.640 -0.021 0.000 0.201 300 D C -0.031 176.261 176.300 -0.013 0.000 0.980 300 D CA 1.238 54.905 54.000 -0.555 0.000 0.842 300 D CB -0.128 39.998 40.800 -1.123 0.000 0.948 300 D HN 0.142 nan 8.370 nan 0.000 0.472 301 Y N 0.537 120.742 120.300 -0.159 0.000 2.446 301 Y HA 0.284 4.821 4.550 -0.021 0.000 0.345 301 Y C 0.416 176.254 175.900 -0.103 0.000 0.984 301 Y CA -1.748 56.308 58.100 -0.073 0.000 1.058 301 Y CB 1.339 39.740 38.460 -0.099 0.000 1.220 301 Y HN -0.186 nan 8.280 nan 0.000 0.455 302 E N 1.515 121.733 120.200 0.030 0.000 2.442 302 E HA -0.029 4.309 4.350 -0.021 0.000 0.262 302 E C -0.874 175.675 176.600 -0.084 0.000 1.004 302 E CA -0.180 56.216 56.400 -0.007 0.000 0.928 302 E CB 0.594 30.305 29.700 0.018 0.000 0.937 302 E HN 0.550 nan 8.360 nan 0.000 0.446 303 E N 3.137 123.267 120.200 -0.117 0.000 2.159 303 E HA 0.020 4.358 4.350 -0.021 0.000 0.272 303 E C -0.921 175.727 176.600 0.081 0.000 1.138 303 E CA 0.512 56.812 56.400 -0.167 0.000 0.915 303 E CB 0.545 30.276 29.700 0.051 0.000 1.028 303 E HN 0.280 nan 8.360 nan 0.000 0.423 304 Q N 2.071 121.969 119.800 0.162 0.000 2.340 304 Q HA 0.371 4.698 4.340 -0.021 0.000 0.268 304 Q C -0.968 175.230 176.000 0.330 0.000 1.031 304 Q CA -1.165 54.781 55.803 0.238 0.000 0.804 304 Q CB 2.074 30.943 28.738 0.217 0.000 1.286 304 Q HN 0.374 nan 8.270 nan 0.000 0.448 305 L N 3.802 125.170 121.223 0.242 0.000 2.342 305 L HA 0.282 4.609 4.340 -0.021 0.000 0.285 305 L C -1.270 175.728 176.870 0.213 0.000 1.095 305 L CA 0.039 54.988 54.840 0.182 0.000 0.843 305 L CB 0.603 42.738 42.059 0.126 0.000 1.201 305 L HN 0.372 nan 8.230 nan 0.000 0.445 306 V N 5.207 125.288 119.914 0.280 0.000 2.604 306 V HA 0.225 4.332 4.120 -0.021 0.000 0.305 306 V C -0.719 175.631 176.094 0.427 0.000 1.043 306 V CA -0.896 61.639 62.300 0.392 0.000 0.888 306 V CB 1.489 33.672 31.823 0.601 0.000 0.995 306 V HN 0.532 nan 8.190 nan 0.000 0.429 307 Y N 4.419 124.865 120.300 0.242 0.000 2.531 307 Y HA 0.192 4.730 4.550 -0.021 0.000 0.347 307 Y C -0.021 175.996 175.900 0.196 0.000 1.024 307 Y CA 0.063 58.290 58.100 0.212 0.000 1.306 307 Y CB 0.399 38.906 38.460 0.079 0.000 1.149 307 Y HN 0.706 nan 8.280 nan 0.000 0.527 308 W N 10.290 131.279 121.300 -0.517 0.000 2.315 308 W HA 0.221 4.868 4.660 -0.021 0.000 0.316 308 W C -2.253 173.674 176.519 -0.987 0.000 1.211 308 W CA -2.263 54.658 57.345 -0.706 0.000 1.201 308 W CB 1.629 30.561 29.460 -0.879 0.000 1.184 308 W HN 0.503 nan 8.180 nan 0.000 0.544 309 P HA 0.045 nan 4.420 nan 0.000 0.268 309 P C -0.074 177.093 177.300 -0.222 0.000 1.205 309 P CA 0.528 63.280 63.100 -0.579 0.000 0.771 309 P CB 0.804 32.110 31.700 -0.657 0.000 0.858 310 R N 0.658 121.116 120.500 -0.070 0.000 2.437 310 R HA 0.105 4.433 4.340 -0.021 0.000 0.257 310 R C 0.688 177.009 176.300 0.035 0.000 0.927 310 R CA -0.154 55.972 56.100 0.043 0.000 1.078 310 R CB 0.203 30.543 30.300 0.067 0.000 1.161 310 R HN 0.622 nan 8.270 nan 0.000 0.529 311 D N 0.378 120.787 120.400 0.015 0.000 2.357 311 D HA -0.024 4.603 4.640 -0.021 0.000 0.242 311 D C 0.180 176.488 176.300 0.014 0.000 1.153 311 D CA -0.258 53.752 54.000 0.017 0.000 0.918 311 D CB 0.772 41.577 40.800 0.009 0.000 1.181 311 D HN -0.209 nan 8.370 nan 0.000 0.435 312 N N 0.950 119.658 118.700 0.013 0.000 2.289 312 N HA -0.122 4.605 4.740 -0.021 0.000 0.184 312 N C 1.417 176.935 175.510 0.013 0.000 1.016 312 N CA 0.867 53.924 53.050 0.011 0.000 0.872 312 N CB -0.073 38.417 38.487 0.005 0.000 0.973 312 N HN 0.510 nan 8.380 nan 0.000 0.433 313 K N 0.199 120.605 120.400 0.010 0.000 2.103 313 K HA 0.105 4.412 4.320 -0.021 0.000 0.204 313 K C 1.550 178.160 176.600 0.017 0.000 1.052 313 K CA 0.663 56.956 56.287 0.011 0.000 0.945 313 K CB 0.194 32.699 32.500 0.008 0.000 0.722 313 K HN 0.139 nan 8.250 nan 0.000 0.443 314 L N 0.666 121.893 121.223 0.007 0.000 2.701 314 L HA 0.073 4.400 4.340 -0.021 0.000 0.238 314 L C 1.927 178.815 176.870 0.030 0.000 1.106 314 L CA -0.036 54.804 54.840 -0.000 0.000 0.898 314 L CB 0.159 42.167 42.059 -0.085 0.000 1.188 314 L HN 0.095 nan 8.230 nan 0.000 0.508 315 K N -0.535 119.910 120.400 0.075 0.000 2.209 315 K HA -0.125 4.182 4.320 -0.021 0.000 0.204 315 K C 0.953 177.811 176.600 0.429 0.000 1.048 315 K CA 1.383 57.804 56.287 0.223 0.000 0.940 315 K CB -0.232 32.368 32.500 0.167 0.000 0.729 315 K HN 0.178 nan 8.250 nan 0.000 0.451 316 N N 1.188 120.046 118.700 0.262 0.000 2.521 316 N HA 0.009 4.736 4.740 -0.021 0.000 0.188 316 N C -0.456 175.166 175.510 0.187 0.000 1.146 316 N CA 0.189 53.369 53.050 0.216 0.000 0.893 316 N CB 0.170 38.688 38.487 0.051 0.000 0.975 316 N HN 0.120 nan 8.380 nan 0.000 0.451 317 S N 0.974 116.853 115.700 0.298 0.000 2.563 317 S HA -0.038 4.419 4.470 -0.021 0.000 0.294 317 S C 0.286 175.195 174.600 0.515 0.000 1.279 317 S CA 0.250 58.645 58.200 0.325 0.000 1.069 317 S CB 0.507 63.908 63.200 0.334 0.000 0.828 317 S HN 0.299 nan 8.310 nan 0.000 0.497 318 Q N 2.493 122.452 119.800 0.267 0.000 2.289 318 Q HA 0.417 4.745 4.340 -0.021 0.000 0.270 318 Q C -1.145 174.922 176.000 0.113 0.000 1.038 318 Q CA -0.591 55.298 55.803 0.144 0.000 0.812 318 Q CB 1.070 29.687 28.738 -0.202 0.000 1.300 318 Q HN 0.655 nan 8.270 nan 0.000 0.427 319 I N 2.873 123.502 120.570 0.097 0.000 2.662 319 I HA -0.050 4.107 4.170 -0.021 0.000 0.285 319 I C 0.523 176.548 176.117 -0.154 0.000 1.161 319 I CA 0.636 61.919 61.300 -0.028 0.000 1.415 319 I CB 0.799 38.724 38.000 -0.125 0.000 1.385 319 I HN 0.707 nan 8.210 nan 0.000 0.552 320 S N 3.928 119.532 115.700 -0.160 0.000 2.540 320 S HA 0.153 4.610 4.470 -0.021 0.000 0.222 320 S C 1.379 175.860 174.600 -0.198 0.000 1.008 320 S CA 0.156 58.262 58.200 -0.157 0.000 0.939 320 S CB 0.908 64.046 63.200 -0.104 0.000 0.865 320 S HN 0.899 nan 8.310 nan 0.000 0.499 321 G N 0.749 109.377 108.800 -0.287 0.000 3.377 321 G HA2 0.288 4.236 3.960 -0.021 0.000 0.257 321 G HA3 0.288 4.236 3.960 -0.021 0.000 0.257 321 G C 0.014 174.680 174.900 -0.389 0.000 1.038 321 G CA -0.044 44.892 45.100 -0.274 0.000 0.809 321 G HN 0.331 nan 8.290 nan 0.000 0.526 322 S N 0.305 115.578 115.700 -0.712 0.000 2.525 322 S HA 0.727 5.184 4.470 -0.021 0.000 0.290 322 S C 0.569 174.949 174.600 -0.368 0.000 1.152 322 S CA -0.181 57.565 58.200 -0.756 0.000 1.072 322 S CB 1.174 63.703 63.200 -1.118 0.000 1.027 322 S HN 0.544 nan 8.310 nan 0.000 0.500 323 A N 2.980 125.622 122.820 -0.297 0.000 2.366 323 A HA 0.695 5.002 4.320 -0.021 0.000 0.249 323 A C 0.283 177.789 177.584 -0.130 0.000 1.084 323 A CA -0.135 51.724 52.037 -0.295 0.000 0.794 323 A CB 0.092 18.666 19.000 -0.709 0.000 1.034 323 A HN 1.408 nan 8.150 nan 0.000 0.491 324 S N -0.630 115.014 115.700 -0.093 0.000 2.588 324 S HA 0.798 5.255 4.470 -0.021 0.000 0.269 324 S C -1.032 173.352 174.600 -0.360 0.000 1.157 324 S CA -0.720 57.435 58.200 -0.075 0.000 0.824 324 S CB 0.761 63.927 63.200 -0.056 0.000 1.126 324 S HN 0.523 nan 8.310 nan 0.000 0.464 325 F N 0.594 120.529 119.950 -0.024 0.000 2.538 325 F HA 0.844 5.358 4.527 -0.021 0.000 0.325 325 F C 0.028 175.785 175.800 -0.073 0.000 1.066 325 F CA -0.938 56.986 58.000 -0.127 0.000 0.946 325 F CB 1.849 40.693 39.000 -0.260 0.000 1.199 325 F HN 0.773 nan 8.300 nan 0.000 0.473 326 I N 1.395 122.039 120.570 0.123 0.000 2.753 326 I HA 0.314 4.472 4.170 -0.021 0.000 0.291 326 I C -1.881 174.279 176.117 0.073 0.000 1.425 326 I CA -0.404 60.940 61.300 0.074 0.000 1.039 326 I CB 1.612 39.644 38.000 0.053 0.000 1.349 326 I HN 0.631 nan 8.210 nan 0.000 0.430 327 D N 4.441 124.882 120.400 0.069 0.000 4.161 327 D HA -0.109 4.518 4.640 -0.021 0.000 0.246 327 D C -0.518 175.820 176.300 0.063 0.000 1.064 327 D CA 1.401 55.461 54.000 0.100 0.000 1.187 327 D CB -0.509 40.380 40.800 0.149 0.000 0.871 327 D HN 0.704 nan 8.370 nan 0.000 0.413 328 S N -0.385 115.342 115.700 0.046 0.000 2.687 328 S HA 0.836 5.294 4.470 -0.021 0.000 0.283 328 S C 0.042 174.688 174.600 0.078 0.000 1.170 328 S CA -0.494 57.707 58.200 0.003 0.000 1.008 328 S CB 2.792 65.956 63.200 -0.060 0.000 1.026 328 S HN 0.405 nan 8.310 nan 0.000 0.541 329 S N 0.323 116.069 115.700 0.076 0.000 2.533 329 S HA 0.650 5.108 4.470 -0.021 0.000 0.271 329 S C -1.147 173.653 174.600 0.333 0.000 1.143 329 S CA -0.979 57.374 58.200 0.254 0.000 0.891 329 S CB 0.582 64.004 63.200 0.370 0.000 1.105 329 S HN 0.980 nan 8.310 nan 0.000 0.468 330 I N 1.166 121.976 120.570 0.400 0.000 2.608 330 I HA 0.948 5.105 4.170 -0.021 0.000 0.295 330 I C -1.050 175.138 176.117 0.119 0.000 1.049 330 I CA -1.035 60.444 61.300 0.298 0.000 1.063 330 I CB 1.846 39.970 38.000 0.207 0.000 1.248 330 I HN 0.431 nan 8.210 nan 0.000 0.424 331 V N 3.356 123.255 119.914 -0.025 0.000 3.114 331 V HA 0.488 4.595 4.120 -0.021 0.000 0.308 331 V C -1.183 174.690 176.094 -0.368 0.000 1.168 331 V CA -0.312 61.746 62.300 -0.403 0.000 1.015 331 V CB 2.559 34.273 31.823 -0.182 0.000 1.050 331 V HN 0.980 nan 8.190 nan 0.000 0.433 332 E N 2.101 122.064 120.200 -0.396 0.000 2.183 332 E HA 0.441 4.778 4.350 -0.021 0.000 0.271 332 E C -1.617 175.012 176.600 0.049 0.000 0.919 332 E CA -0.627 55.724 56.400 -0.081 0.000 0.781 332 E CB 1.694 31.412 29.700 0.029 0.000 1.140 332 E HN 0.743 nan 8.360 nan 0.000 0.402 333 D N 3.372 123.811 120.400 0.065 0.000 2.329 333 D HA 0.140 4.767 4.640 -0.021 0.000 0.232 333 D C 0.593 176.926 176.300 0.055 0.000 1.088 333 D CA -0.219 53.821 54.000 0.067 0.000 0.835 333 D CB 1.098 41.940 40.800 0.070 0.000 1.078 333 D HN 0.342 nan 8.370 nan 0.000 0.495 334 K N 2.773 123.205 120.400 0.055 0.000 2.032 334 K HA -0.194 4.113 4.320 -0.021 0.000 0.209 334 K C 1.711 178.328 176.600 0.029 0.000 1.048 334 K CA 1.085 57.399 56.287 0.044 0.000 0.927 334 K CB 0.087 32.612 32.500 0.043 0.000 0.712 334 K HN 0.359 nan 8.250 nan 0.000 0.441 335 K N 0.954 121.368 120.400 0.024 0.000 1.991 335 K HA -0.176 4.131 4.320 -0.021 0.000 0.212 335 K C 2.149 178.758 176.600 0.015 0.000 1.049 335 K CA 2.260 58.556 56.287 0.015 0.000 0.932 335 K CB -0.123 32.382 32.500 0.008 0.000 0.717 335 K HN 0.171 nan 8.250 nan 0.000 0.441 336 S N -1.495 114.217 115.700 0.019 0.000 2.478 336 S HA 0.140 4.598 4.470 -0.021 0.000 0.222 336 S C 1.509 176.119 174.600 0.016 0.000 1.008 336 S CA 0.583 58.794 58.200 0.019 0.000 0.928 336 S CB 0.251 63.467 63.200 0.027 0.000 0.781 336 S HN 0.669 nan 8.310 nan 0.000 0.518 337 G N 1.336 110.148 108.800 0.020 0.000 2.184 337 G HA2 -0.295 3.652 3.960 -0.021 0.000 0.264 337 G HA3 -0.295 3.652 3.960 -0.021 0.000 0.264 337 G C 0.033 174.940 174.900 0.012 0.000 0.975 337 G CA 0.434 45.542 45.100 0.014 0.000 0.642 337 G HN 0.609 nan 8.290 nan 0.000 0.536 338 K N 0.993 121.410 120.400 0.027 0.000 2.355 338 K HA 0.423 4.730 4.320 -0.021 0.000 0.270 338 K C 0.196 176.829 176.600 0.055 0.000 1.003 338 K CA 0.511 56.821 56.287 0.038 0.000 0.957 338 K CB 0.472 33.016 32.500 0.073 0.000 0.939 338 K HN 0.136 nan 8.250 nan 0.000 0.482 339 T N 3.047 117.631 114.554 0.050 0.000 2.795 339 T HA 0.444 4.781 4.350 -0.021 0.000 0.282 339 T C 0.054 174.919 174.700 0.274 0.000 0.980 339 T CA -0.543 61.623 62.100 0.111 0.000 1.012 339 T CB 0.473 69.378 68.868 0.062 0.000 0.936 339 T HN 0.319 nan 8.240 nan 0.000 0.457 340 I N 3.504 124.259 120.570 0.308 0.000 2.436 340 I HA 0.514 4.672 4.170 -0.021 0.000 0.289 340 I C -0.775 175.543 176.117 0.335 0.000 1.010 340 I CA -0.858 60.664 61.300 0.371 0.000 1.098 340 I CB 1.904 40.153 38.000 0.415 0.000 1.266 340 I HN 0.358 nan 8.210 nan 0.000 0.434 341 L N 7.075 128.407 121.223 0.182 0.000 2.381 341 L HA 0.635 4.963 4.340 -0.021 0.000 0.274 341 L C -1.643 175.108 176.870 -0.199 0.000 0.988 341 L CA -0.563 54.240 54.840 -0.061 0.000 0.824 341 L CB 1.517 43.339 42.059 -0.395 0.000 1.263 341 L HN 0.430 nan 8.230 nan 0.000 0.410 342 L N 4.598 125.621 121.223 -0.334 0.000 2.322 342 L HA 0.997 5.324 4.340 -0.021 0.000 0.269 342 L C -0.297 176.407 176.870 -0.275 0.000 1.012 342 L CA -0.202 54.393 54.840 -0.409 0.000 0.815 342 L CB 1.905 43.507 42.059 -0.761 0.000 1.295 342 L HN 0.771 nan 8.230 nan 0.000 0.438 343 A N 0.178 122.865 122.820 -0.222 0.000 2.608 343 A HA 0.633 4.940 4.320 -0.021 0.000 0.292 343 A C -1.770 175.771 177.584 -0.072 0.000 1.066 343 A CA -0.809 51.153 52.037 -0.125 0.000 0.676 343 A CB 0.889 19.813 19.000 -0.127 0.000 1.277 343 A HN 0.574 nan 8.150 nan 0.000 0.413 344 D N 0.595 120.989 120.400 -0.009 0.000 2.372 344 D HA 0.429 5.056 4.640 -0.021 0.000 0.243 344 D C -0.252 176.056 176.300 0.013 0.000 1.121 344 D CA 0.334 54.341 54.000 0.012 0.000 0.898 344 D CB 1.310 42.151 40.800 0.068 0.000 1.202 344 D HN 0.266 nan 8.370 nan 0.000 0.428 345 V N 2.742 122.641 119.914 -0.025 0.000 2.448 345 V HA 0.357 4.464 4.120 -0.021 0.000 0.295 345 V C 0.002 176.097 176.094 0.001 0.000 1.025 345 V CA -0.764 61.415 62.300 -0.201 0.000 0.859 345 V CB 1.599 33.186 31.823 -0.393 0.000 0.988 345 V HN 0.383 nan 8.190 nan 0.000 0.431 346 M N 6.071 125.627 119.600 -0.074 0.000 2.181 346 M HA 0.497 4.964 4.480 -0.021 0.000 0.323 346 M C -2.759 173.587 176.300 0.077 0.000 1.004 346 M CA -2.429 52.905 55.300 0.057 0.000 0.941 346 M CB 1.642 34.241 32.600 -0.002 0.000 1.579 346 M HN 0.287 nan 8.290 nan 0.000 0.427 347 P HA 0.139 nan 4.420 nan 0.000 0.272 347 P C -0.432 176.873 177.300 0.008 0.000 1.254 347 P CA -0.372 62.841 63.100 0.188 0.000 0.795 347 P CB 0.359 32.153 31.700 0.156 0.000 1.022 348 A N 0.884 123.686 122.820 -0.030 0.000 2.566 348 A HA 0.356 4.663 4.320 -0.021 0.000 0.245 348 A C 1.505 179.042 177.584 -0.080 0.000 1.056 348 A CA 0.862 52.848 52.037 -0.085 0.000 0.757 348 A CB -1.821 17.150 19.000 -0.049 0.000 0.979 348 A HN 0.893 nan 8.150 nan 0.000 0.508 349 G N 1.375 110.100 108.800 -0.126 0.000 2.162 349 G HA2 -0.192 3.756 3.960 -0.021 0.000 0.260 349 G HA3 -0.192 3.756 3.960 -0.021 0.000 0.260 349 G C 0.037 174.895 174.900 -0.070 0.000 0.976 349 G CA 0.409 45.444 45.100 -0.108 0.000 0.655 349 G HN 0.745 nan 8.290 nan 0.000 0.533 350 I N 0.710 121.250 120.570 -0.049 0.000 2.460 350 I HA 0.782 4.939 4.170 -0.021 0.000 0.298 350 I C 0.884 176.991 176.117 -0.017 0.000 0.989 350 I CA -0.164 61.126 61.300 -0.018 0.000 1.173 350 I CB 1.066 39.079 38.000 0.022 0.000 1.338 350 I HN 0.266 nan 8.210 nan 0.000 0.456 351 G N 3.395 112.192 108.800 -0.005 0.000 2.788 351 G HA2 0.261 4.209 3.960 -0.021 0.000 0.293 351 G HA3 0.261 4.209 3.960 -0.021 0.000 0.293 351 G C 0.352 175.278 174.900 0.043 0.000 1.392 351 G CA -0.441 44.664 45.100 0.008 0.000 0.810 351 G HN 0.520 nan 8.290 nan 0.000 0.508 352 N N 0.212 118.938 118.700 0.043 0.000 2.381 352 N HA -0.141 4.586 4.740 -0.021 0.000 0.182 352 N C 1.393 176.919 175.510 0.027 0.000 1.025 352 N CA 1.743 54.830 53.050 0.062 0.000 0.888 352 N CB -0.399 37.975 38.487 -0.189 0.000 0.965 352 N HN 0.568 nan 8.380 nan 0.000 0.438 353 N N 0.906 119.600 118.700 -0.009 0.000 2.354 353 N HA -0.141 4.586 4.740 -0.021 0.000 0.179 353 N C 0.425 175.931 175.510 -0.006 0.000 1.021 353 N CA 1.230 54.270 53.050 -0.016 0.000 0.887 353 N CB -0.425 38.037 38.487 -0.041 0.000 0.974 353 N HN 0.494 nan 8.380 nan 0.000 0.437 354 N N -0.202 118.496 118.700 -0.004 0.000 2.159 354 N HA 0.171 4.898 4.740 -0.021 0.000 0.217 354 N C -0.032 175.477 175.510 -0.002 0.000 1.223 354 N CA -0.202 52.844 53.050 -0.008 0.000 0.896 354 N CB -0.056 38.419 38.487 -0.019 0.000 1.064 354 N HN 0.262 nan 8.380 nan 0.000 0.518 355 A N 1.161 123.988 122.820 0.012 0.000 2.565 355 A HA 0.070 4.377 4.320 -0.021 0.000 0.237 355 A C 0.367 177.934 177.584 -0.029 0.000 1.053 355 A CA -0.158 51.877 52.037 -0.004 0.000 0.755 355 A CB -0.239 18.772 19.000 0.019 0.000 0.980 355 A HN 0.386 nan 8.150 nan 0.000 0.506 356 N N 1.585 120.251 118.700 -0.057 0.000 2.427 356 N HA 0.018 4.745 4.740 -0.021 0.000 0.269 356 N C 0.848 176.297 175.510 -0.103 0.000 1.235 356 N CA 0.279 53.286 53.050 -0.071 0.000 0.934 356 N CB 0.449 38.888 38.487 -0.080 0.000 1.121 356 N HN 0.614 nan 8.380 nan 0.000 0.480 357 K N 2.280 122.621 120.400 -0.098 0.000 2.362 357 K HA -0.013 4.294 4.320 -0.021 0.000 0.200 357 K C 0.860 177.338 176.600 -0.204 0.000 1.046 357 K CA 0.954 57.146 56.287 -0.159 0.000 0.952 357 K CB 0.261 32.679 32.500 -0.136 0.000 0.753 357 K HN 0.525 nan 8.250 nan 0.000 0.466 358 A N 1.025 123.768 122.820 -0.129 0.000 2.460 358 A HA 0.047 4.355 4.320 -0.021 0.000 0.258 358 A C -0.421 177.118 177.584 -0.075 0.000 1.300 358 A CA -0.103 51.875 52.037 -0.098 0.000 0.913 358 A CB 0.266 19.230 19.000 -0.060 0.000 1.031 358 A HN 0.044 nan 8.150 nan 0.000 0.512 359 D N -0.977 119.364 120.400 -0.098 0.000 2.890 359 D HA 0.206 4.833 4.640 -0.021 0.000 0.233 359 D C 0.938 177.172 176.300 -0.110 0.000 1.306 359 D CA 0.457 54.400 54.000 -0.095 0.000 0.929 359 D CB 1.829 42.545 40.800 -0.140 0.000 1.512 359 D HN 0.042 nan 8.370 nan 0.000 0.568 360 S N 1.968 117.644 115.700 -0.040 0.000 2.461 360 S HA 0.179 4.636 4.470 -0.021 0.000 0.228 360 S C 1.631 176.231 174.600 -0.001 0.000 1.005 360 S CA 1.022 59.220 58.200 -0.004 0.000 0.942 360 S CB 0.031 63.285 63.200 0.090 0.000 0.776 360 S HN 1.019 nan 8.310 nan 0.000 0.514 361 G N 0.036 108.796 108.800 -0.066 0.000 2.159 361 G HA2 -0.223 3.725 3.960 -0.021 0.000 0.256 361 G HA3 -0.223 3.725 3.960 -0.021 0.000 0.256 361 G C -0.112 174.641 174.900 -0.245 0.000 0.977 361 G CA 0.273 45.283 45.100 -0.150 0.000 0.652 361 G HN 0.528 nan 8.290 nan 0.000 0.531 362 F N -0.026 119.970 119.950 0.076 0.000 2.538 362 F HA 0.696 5.210 4.527 -0.021 0.000 0.325 362 F C 0.410 176.327 175.800 0.194 0.000 1.066 362 F CA -0.992 57.107 58.000 0.164 0.000 0.946 362 F CB 1.984 41.083 39.000 0.165 0.000 1.199 362 F HN -0.021 nan 8.300 nan 0.000 0.473 363 K N 1.841 122.492 120.400 0.417 0.000 2.235 363 K HA 0.240 4.547 4.320 -0.021 0.000 0.266 363 K C -0.779 175.998 176.600 0.296 0.000 0.980 363 K CA -0.516 55.959 56.287 0.313 0.000 0.849 363 K CB 1.223 33.875 32.500 0.253 0.000 1.098 363 K HN 0.731 nan 8.250 nan 0.000 0.445 364 E N 5.454 125.734 120.200 0.134 0.000 2.194 364 E HA 0.220 4.557 4.350 -0.021 0.000 0.284 364 E C -1.028 175.548 176.600 -0.040 0.000 1.035 364 E CA -0.363 55.915 56.400 -0.202 0.000 0.836 364 E CB 0.535 29.977 29.700 -0.429 0.000 1.070 364 E HN 0.506 nan 8.360 nan 0.000 0.401 365 I N 4.371 124.950 120.570 0.015 0.000 2.586 365 I HA 0.235 4.392 4.170 -0.021 0.000 0.281 365 I C -0.977 175.303 176.117 0.270 0.000 1.145 365 I CA -0.821 60.571 61.300 0.153 0.000 1.073 365 I CB 1.435 39.597 38.000 0.270 0.000 1.238 365 I HN 0.328 nan 8.210 nan 0.000 0.461 366 N N 4.170 122.962 118.700 0.154 0.000 2.392 366 N HA 0.533 5.260 4.740 -0.021 0.000 0.283 366 N C 0.853 176.193 175.510 -0.283 0.000 1.003 366 N CA 0.522 53.533 53.050 -0.065 0.000 0.892 366 N CB 2.323 40.793 38.487 -0.028 0.000 1.193 366 N HN 0.969 nan 8.380 nan 0.000 0.487 367 G N 1.589 110.139 108.800 -0.416 0.000 2.241 367 G HA2 -0.235 3.712 3.960 -0.021 0.000 0.244 367 G HA3 -0.235 3.712 3.960 -0.021 0.000 0.244 367 G C -0.413 174.049 174.900 -0.729 0.000 0.998 367 G CA 0.140 44.897 45.100 -0.571 0.000 0.621 367 G HN 0.719 nan 8.290 nan 0.000 0.519 368 H N -0.969 117.885 119.070 -0.360 0.000 2.495 368 H HA 0.690 5.234 4.556 -0.021 0.000 0.348 368 H C -0.924 174.006 175.328 -0.665 0.000 1.113 368 H CA -0.794 54.982 56.048 -0.453 0.000 1.195 368 H CB 1.015 30.509 29.762 -0.447 0.000 1.521 368 H HN 0.249 nan 8.280 nan 0.000 0.509 369 Y N 1.690 121.785 120.300 -0.342 0.000 2.330 369 Y HA 0.317 4.854 4.550 -0.021 0.000 0.336 369 Y C -0.793 174.986 175.900 -0.202 0.000 1.036 369 Y CA -0.566 57.399 58.100 -0.225 0.000 1.125 369 Y CB 0.823 39.117 38.460 -0.276 0.000 1.194 369 Y HN 0.568 nan 8.280 nan 0.000 0.469 370 Y N 2.953 123.532 120.300 0.465 0.000 2.364 370 Y HA 0.352 4.889 4.550 -0.021 0.000 0.340 370 Y C -0.484 175.634 175.900 0.364 0.000 0.975 370 Y CA -1.392 56.931 58.100 0.370 0.000 1.089 370 Y CB 1.331 39.904 38.460 0.189 0.000 1.192 370 Y HN 0.458 nan 8.280 nan 0.000 0.454 371 L N 4.532 125.978 121.223 0.371 0.000 2.513 371 L HA 0.173 4.500 4.340 -0.021 0.000 0.272 371 L C -0.243 176.651 176.870 0.041 0.000 1.187 371 L CA 0.028 54.819 54.840 -0.082 0.000 0.895 371 L CB 0.003 42.016 42.059 -0.077 0.000 1.147 371 L HN 0.529 nan 8.230 nan 0.000 0.483 372 K N 5.895 126.287 120.400 -0.014 0.000 2.185 372 K HA 0.553 4.860 4.320 -0.021 0.000 0.271 372 K C -1.033 175.707 176.600 0.233 0.000 1.013 372 K CA -0.441 55.931 56.287 0.142 0.000 0.943 372 K CB 0.937 33.493 32.500 0.093 0.000 0.998 372 K HN 0.548 nan 8.250 nan 0.000 0.468 373 L N 1.845 123.292 121.223 0.374 0.000 2.401 373 L HA 0.444 4.771 4.340 -0.021 0.000 0.266 373 L C -0.617 176.447 176.870 0.324 0.000 0.991 373 L CA -0.912 54.138 54.840 0.350 0.000 0.818 373 L CB 2.140 44.322 42.059 0.204 0.000 1.321 373 L HN 0.523 nan 8.230 nan 0.000 0.413 374 K N 3.006 123.358 120.400 -0.081 0.000 2.274 374 K HA 0.401 4.709 4.320 -0.021 0.000 0.262 374 K C -0.968 175.477 176.600 -0.257 0.000 0.961 374 K CA -0.705 55.321 56.287 -0.436 0.000 0.833 374 K CB 1.792 33.515 32.500 -1.295 0.000 1.102 374 K HN 0.477 nan 8.250 nan 0.000 0.436 375 K N 3.118 123.380 120.400 -0.230 0.000 2.143 375 K HA 0.084 4.392 4.320 -0.021 0.000 0.272 375 K C -0.326 176.039 176.600 -0.392 0.000 1.001 375 K CA -0.611 55.334 56.287 -0.569 0.000 0.915 375 K CB 0.756 32.872 32.500 -0.640 0.000 1.047 375 K HN 0.591 nan 8.250 nan 0.000 0.458 376 N N 1.920 120.365 118.700 -0.425 0.000 2.411 376 N HA 0.006 4.733 4.740 -0.021 0.000 0.261 376 N C 0.663 176.054 175.510 -0.199 0.000 1.248 376 N CA 1.956 54.847 53.050 -0.265 0.000 0.885 376 N CB 0.408 38.754 38.487 -0.235 0.000 1.062 376 N HN 0.793 nan 8.380 nan 0.000 0.471 377 G N 2.305 111.020 108.800 -0.141 0.000 2.232 377 G HA2 -0.226 3.722 3.960 -0.021 0.000 0.226 377 G HA3 -0.226 3.722 3.960 -0.021 0.000 0.226 377 G C -0.495 174.355 174.900 -0.082 0.000 0.996 377 G CA 0.045 45.087 45.100 -0.098 0.000 0.626 377 G HN 0.643 nan 8.290 nan 0.000 0.509 378 D N 0.576 120.916 120.400 -0.100 0.000 2.255 378 D HA 0.471 5.098 4.640 -0.021 0.000 0.249 378 D C 1.058 177.300 176.300 -0.097 0.000 1.078 378 D CA -0.633 53.321 54.000 -0.077 0.000 0.896 378 D CB 0.824 41.591 40.800 -0.055 0.000 1.194 378 D HN 0.074 nan 8.370 nan 0.000 0.429 379 N N 0.935 119.598 118.700 -0.061 0.000 2.422 379 N HA -0.026 4.701 4.740 -0.021 0.000 0.181 379 N C -0.127 175.363 175.510 -0.033 0.000 1.080 379 N CA 0.349 53.371 53.050 -0.047 0.000 0.893 379 N CB 0.445 38.923 38.487 -0.016 0.000 0.973 379 N HN 0.551 nan 8.380 nan 0.000 0.456 380 D N -0.913 119.465 120.400 -0.038 0.000 2.450 380 D HA 0.183 4.810 4.640 -0.021 0.000 0.238 380 D C -0.796 175.483 176.300 -0.036 0.000 1.020 380 D CA -0.726 53.297 54.000 0.038 0.000 1.010 380 D CB 0.307 41.148 40.800 0.069 0.000 1.342 380 D HN -0.198 nan 8.370 nan 0.000 0.530 381 F N 0.664 120.645 119.950 0.052 0.000 2.515 381 F HA 0.300 4.814 4.527 -0.021 0.000 0.353 381 F C 1.836 177.679 175.800 0.072 0.000 1.213 381 F CA -0.499 57.554 58.000 0.088 0.000 1.194 381 F CB 0.524 39.568 39.000 0.073 0.000 1.488 381 F HN 0.056 nan 8.300 nan 0.000 0.619 382 R N 1.490 122.067 120.500 0.128 0.000 2.297 382 R HA 0.080 4.407 4.340 -0.021 0.000 0.197 382 R C -0.645 175.476 176.300 -0.298 0.000 0.943 382 R CA 0.436 56.455 56.100 -0.134 0.000 1.038 382 R CB 0.217 30.296 30.300 -0.368 0.000 0.957 382 R HN 0.432 nan 8.270 nan 0.000 0.484 383 Y N -0.532 119.859 120.300 0.151 0.000 2.562 383 Y HA 0.321 4.859 4.550 -0.021 0.000 0.343 383 Y C 0.555 176.543 175.900 0.148 0.000 1.025 383 Y CA -0.957 57.223 58.100 0.133 0.000 1.082 383 Y CB 2.038 40.562 38.460 0.108 0.000 1.264 383 Y HN -0.161 nan 8.280 nan 0.000 0.478 384 T N -2.074 112.655 114.554 0.292 0.000 2.906 384 T HA 0.685 5.022 4.350 -0.021 0.000 0.295 384 T C -1.414 173.369 174.700 0.138 0.000 1.075 384 T CA -0.938 61.286 62.100 0.207 0.000 1.005 384 T CB 1.348 70.318 68.868 0.169 0.000 1.136 384 T HN 0.314 nan 8.240 nan 0.000 0.498 385 V N 3.281 123.268 119.914 0.123 0.000 2.334 385 V HA 0.461 4.569 4.120 -0.021 0.000 0.267 385 V C 0.453 176.599 176.094 0.086 0.000 1.040 385 V CA -0.820 61.528 62.300 0.080 0.000 0.866 385 V CB 0.290 32.169 31.823 0.093 0.000 1.019 385 V HN 0.743 nan 8.190 nan 0.000 0.468 386 R N 2.279 122.747 120.500 -0.053 0.000 2.603 386 R HA 0.465 4.793 4.340 -0.021 0.000 0.231 386 R C 0.044 176.335 176.300 -0.015 0.000 1.263 386 R CA -1.033 54.942 56.100 -0.208 0.000 1.102 386 R CB 0.474 30.532 30.300 -0.403 0.000 1.527 386 R HN 0.587 nan 8.270 nan 0.000 0.554 387 E N 1.927 122.116 120.200 -0.019 0.000 2.568 387 E HA -0.070 4.267 4.350 -0.021 0.000 0.262 387 E C 0.034 176.633 176.600 -0.003 0.000 0.961 387 E CA 0.641 57.054 56.400 0.022 0.000 0.945 387 E CB -0.035 29.663 29.700 -0.004 0.000 0.924 387 E HN 0.391 nan 8.360 nan 0.000 0.467 388 N N 1.794 120.497 118.700 0.005 0.000 2.782 388 N HA -0.231 4.497 4.740 -0.021 0.000 0.251 388 N C 0.735 176.233 175.510 -0.021 0.000 1.101 388 N CA 1.146 54.190 53.050 -0.010 0.000 0.764 388 N CB -1.485 36.995 38.487 -0.012 0.000 1.122 388 N HN 0.851 nan 8.380 nan 0.000 0.561 389 G N -1.575 107.214 108.800 -0.019 0.000 2.162 389 G HA2 -0.359 3.588 3.960 -0.021 0.000 0.260 389 G HA3 -0.359 3.588 3.960 -0.021 0.000 0.260 389 G C 0.139 175.020 174.900 -0.031 0.000 0.976 389 G CA 0.362 45.440 45.100 -0.037 0.000 0.655 389 G HN 0.512 nan 8.290 nan 0.000 0.533 390 V N 1.218 121.122 119.914 -0.017 0.000 2.493 390 V HA 0.248 4.355 4.120 -0.021 0.000 0.292 390 V C 1.254 177.355 176.094 0.012 0.000 1.016 390 V CA -0.012 62.288 62.300 -0.000 0.000 1.097 390 V CB 1.414 33.248 31.823 0.018 0.000 0.947 390 V HN 0.278 nan 8.190 nan 0.000 0.479 391 V N 6.933 126.839 119.914 -0.013 0.000 2.455 391 V HA 0.175 4.282 4.120 -0.021 0.000 0.273 391 V C -0.350 175.826 176.094 0.137 0.000 1.045 391 V CA -0.181 62.098 62.300 -0.035 0.000 0.976 391 V CB 0.334 31.955 31.823 -0.337 0.000 0.993 391 V HN 0.736 nan 8.190 nan 0.000 0.475 392 Y N 5.152 125.492 120.300 0.067 0.000 2.364 392 Y HA 0.448 4.985 4.550 -0.021 0.000 0.340 392 Y C 0.240 176.214 175.900 0.124 0.000 0.975 392 Y CA -0.856 57.285 58.100 0.068 0.000 1.089 392 Y CB 1.377 39.813 38.460 -0.040 0.000 1.192 392 Y HN 0.645 nan 8.280 nan 0.000 0.454 393 N N 4.909 123.405 118.700 -0.340 0.000 2.408 393 N HA 0.032 4.760 4.740 -0.021 0.000 0.257 393 N C 0.424 175.669 175.510 -0.441 0.000 1.064 393 N CA 0.187 52.963 53.050 -0.457 0.000 0.952 393 N CB 0.976 39.246 38.487 -0.362 0.000 1.093 393 N HN 0.805 nan 8.380 nan 0.000 0.490 394 E N 1.615 121.678 120.200 -0.229 0.000 2.208 394 E HA -0.091 4.246 4.350 -0.021 0.000 0.193 394 E C 1.384 177.941 176.600 -0.071 0.000 0.988 394 E CA 1.083 57.469 56.400 -0.023 0.000 0.828 394 E CB -0.017 29.709 29.700 0.042 0.000 0.763 394 E HN 0.803 nan 8.360 nan 0.000 0.478 395 T N -1.416 113.044 114.554 -0.157 0.000 2.937 395 T HA -0.068 4.269 4.350 -0.021 0.000 0.260 395 T C 2.062 176.701 174.700 -0.102 0.000 1.051 395 T CA 1.559 63.594 62.100 -0.109 0.000 1.141 395 T CB -0.351 68.445 68.868 -0.120 0.000 0.879 395 T HN 0.153 nan 8.240 nan 0.000 0.459 396 T N -1.213 113.248 114.554 -0.154 0.000 3.044 396 T HA 0.200 4.537 4.350 -0.021 0.000 0.250 396 T C 0.591 175.200 174.700 -0.151 0.000 1.081 396 T CA 0.085 62.107 62.100 -0.131 0.000 1.040 396 T CB -0.855 67.936 68.868 -0.128 0.000 0.962 396 T HN 0.473 nan 8.240 nan 0.000 0.506 397 N N 1.191 119.760 118.700 -0.217 0.000 2.714 397 N HA -0.139 4.588 4.740 -0.021 0.000 0.253 397 N C -1.115 174.196 175.510 -0.332 0.000 1.024 397 N CA 0.632 53.560 53.050 -0.203 0.000 0.726 397 N CB -0.880 37.641 38.487 0.057 0.000 0.908 397 N HN 0.596 nan 8.380 nan 0.000 0.542 398 K N -0.155 119.843 120.400 -0.670 0.000 2.464 398 K HA 0.433 4.741 4.320 -0.021 0.000 0.253 398 K C -2.659 173.632 176.600 -0.515 0.000 0.933 398 K CA -1.847 54.200 56.287 -0.399 0.000 0.801 398 K CB 2.556 34.943 32.500 -0.188 0.000 1.271 398 K HN -0.133 nan 8.250 nan 0.000 0.430 399 P HA -0.014 nan 4.420 nan 0.000 0.271 399 P C -0.296 177.005 177.300 0.002 0.000 1.218 399 P CA -0.134 62.978 63.100 0.020 0.000 0.780 399 P CB 0.747 32.520 31.700 0.123 0.000 0.901 400 T N -1.468 113.122 114.554 0.059 0.000 2.880 400 T HA 0.229 4.567 4.350 -0.021 0.000 0.279 400 T C 0.934 175.635 174.700 0.003 0.000 0.990 400 T CA -0.463 61.689 62.100 0.086 0.000 0.938 400 T CB 0.226 69.246 68.868 0.253 0.000 1.206 400 T HN 0.200 nan 8.240 nan 0.000 0.573 401 N N -1.079 117.555 118.700 -0.111 0.000 2.383 401 N HA 0.122 4.849 4.740 -0.021 0.000 0.192 401 N C -1.088 174.228 175.510 -0.324 0.000 1.141 401 N CA -0.245 52.669 53.050 -0.227 0.000 0.851 401 N CB -0.584 37.732 38.487 -0.285 0.000 0.976 401 N HN 0.572 nan 8.380 nan 0.000 0.465 402 Y N -0.395 119.865 120.300 -0.066 0.000 2.352 402 Y HA 0.384 4.922 4.550 -0.021 0.000 0.326 402 Y C 0.931 176.745 175.900 -0.143 0.000 1.166 402 Y CA -0.755 57.273 58.100 -0.120 0.000 1.182 402 Y CB 1.364 39.674 38.460 -0.249 0.000 1.216 402 Y HN -0.109 nan 8.280 nan 0.000 0.474 403 T N 0.393 114.968 114.554 0.036 0.000 2.906 403 T HA 0.671 5.008 4.350 -0.021 0.000 0.295 403 T C -1.104 173.573 174.700 -0.039 0.000 1.061 403 T CA -0.910 61.177 62.100 -0.022 0.000 1.000 403 T CB 1.399 70.254 68.868 -0.023 0.000 1.103 403 T HN 0.305 nan 8.240 nan 0.000 0.486 404 I N 4.025 124.553 120.570 -0.070 0.000 2.339 404 I HA 0.345 4.502 4.170 -0.021 0.000 0.290 404 I C 0.505 176.555 176.117 -0.112 0.000 0.994 404 I CA -0.827 60.422 61.300 -0.085 0.000 1.191 404 I CB 0.745 38.689 38.000 -0.093 0.000 1.343 404 I HN 0.891 nan 8.210 nan 0.000 0.458 405 N N 5.417 124.055 118.700 -0.104 0.000 2.322 405 N HA -0.004 4.724 4.740 -0.021 0.000 0.270 405 N C 0.638 176.013 175.510 -0.225 0.000 1.286 405 N CA -0.238 52.741 53.050 -0.119 0.000 0.948 405 N CB 0.379 38.827 38.487 -0.064 0.000 1.164 405 N HN 0.551 nan 8.380 nan 0.000 0.551 406 D N -1.343 118.942 120.400 -0.192 0.000 2.348 406 D HA -0.134 4.493 4.640 -0.021 0.000 0.216 406 D C 0.245 176.360 176.300 -0.308 0.000 0.970 406 D CA 1.116 54.959 54.000 -0.262 0.000 0.889 406 D CB -0.219 40.499 40.800 -0.137 0.000 0.912 406 D HN 0.650 nan 8.370 nan 0.000 0.524 407 K N -0.715 119.569 120.400 -0.193 0.000 2.410 407 K HA 0.067 4.374 4.320 -0.021 0.000 0.200 407 K C -0.463 176.171 176.600 0.057 0.000 1.023 407 K CA -0.409 55.826 56.287 -0.086 0.000 1.149 407 K CB -0.115 32.389 32.500 0.006 0.000 0.859 407 K HN -0.036 nan 8.250 nan 0.000 0.514 408 Y N 0.315 120.576 120.300 -0.064 0.000 4.177 408 Y HA -0.291 4.247 4.550 -0.021 0.000 0.227 408 Y C -0.365 175.539 175.900 0.008 0.000 1.154 408 Y CA 0.336 58.450 58.100 0.023 0.000 1.887 408 Y CB -2.387 36.182 38.460 0.183 0.000 1.594 408 Y HN 0.227 nan 8.280 nan 0.000 0.668 409 E N -0.438 119.788 120.200 0.043 0.000 2.242 409 E HA 0.572 4.909 4.350 -0.021 0.000 0.275 409 E C -0.356 176.251 176.600 0.012 0.000 1.002 409 E CA -0.922 55.493 56.400 0.024 0.000 0.841 409 E CB 1.758 31.477 29.700 0.033 0.000 1.109 409 E HN 0.007 nan 8.360 nan 0.000 0.394 410 V N 4.052 123.983 119.914 0.029 0.000 2.432 410 V HA 0.266 4.374 4.120 -0.021 0.000 0.275 410 V C -0.113 176.031 176.094 0.082 0.000 1.043 410 V CA -0.411 61.920 62.300 0.052 0.000 0.925 410 V CB 0.251 32.127 31.823 0.089 0.000 0.985 410 V HN 0.439 nan 8.190 nan 0.000 0.466 411 L N 4.053 125.328 121.223 0.087 0.000 2.342 411 L HA 0.707 5.034 4.340 -0.021 0.000 0.271 411 L C -0.208 176.737 176.870 0.125 0.000 1.008 411 L CA -0.556 54.333 54.840 0.082 0.000 0.818 411 L CB 2.125 44.201 42.059 0.029 0.000 1.296 411 L HN 0.597 nan 8.230 nan 0.000 0.427 412 E N 0.962 121.200 120.200 0.063 0.000 2.191 412 E HA 0.386 4.724 4.350 -0.021 0.000 0.263 412 E C 0.379 176.911 176.600 -0.113 0.000 0.881 412 E CA -0.373 55.974 56.400 -0.088 0.000 0.757 412 E CB 1.691 31.350 29.700 -0.070 0.000 1.147 412 E HN 0.832 nan 8.360 nan 0.000 0.414 413 G N 3.247 111.953 108.800 -0.157 0.000 2.390 413 G HA2 -0.280 3.667 3.960 -0.021 0.000 0.299 413 G HA3 -0.280 3.667 3.960 -0.021 0.000 0.299 413 G C 0.917 175.784 174.900 -0.055 0.000 1.002 413 G CA 0.681 45.720 45.100 -0.101 0.000 0.979 413 G HN 1.366 nan 8.290 nan 0.000 0.513 414 G N -1.061 107.715 108.800 -0.041 0.000 2.234 414 G HA2 -0.236 3.711 3.960 -0.021 0.000 0.260 414 G HA3 -0.236 3.711 3.960 -0.021 0.000 0.260 414 G C 0.497 175.391 174.900 -0.008 0.000 0.987 414 G CA 1.422 46.510 45.100 -0.021 0.000 0.625 414 G HN 1.927 nan 8.290 nan 0.000 0.532 415 K N 0.524 120.921 120.400 -0.006 0.000 2.130 415 K HA 0.717 5.024 4.320 -0.021 0.000 0.268 415 K C -0.122 176.493 176.600 0.025 0.000 0.983 415 K CA -0.355 55.937 56.287 0.007 0.000 0.893 415 K CB 1.640 34.142 32.500 0.002 0.000 1.066 415 K HN 0.011 nan 8.250 nan 0.000 0.450 416 S N 3.426 119.144 115.700 0.029 0.000 2.510 416 S HA 0.176 4.633 4.470 -0.021 0.000 0.279 416 S C 0.173 174.803 174.600 0.051 0.000 1.284 416 S CA -0.701 57.524 58.200 0.042 0.000 1.059 416 S CB 0.064 63.288 63.200 0.040 0.000 0.901 416 S HN 0.414 nan 8.310 nan 0.000 0.491 417 L N 3.227 124.491 121.223 0.068 0.000 2.399 417 L HA 0.525 4.852 4.340 -0.021 0.000 0.266 417 L C 0.918 177.827 176.870 0.065 0.000 1.114 417 L CA -0.588 54.294 54.840 0.071 0.000 0.804 417 L CB 1.034 43.151 42.059 0.098 0.000 1.146 417 L HN 0.652 nan 8.230 nan 0.000 0.451 418 T N -0.922 113.664 114.554 0.053 0.000 2.916 418 T HA 0.767 5.104 4.350 -0.021 0.000 0.292 418 T C -0.438 174.291 174.700 0.049 0.000 1.064 418 T CA -0.737 61.397 62.100 0.058 0.000 1.011 418 T CB 2.037 70.927 68.868 0.036 0.000 1.152 418 T HN 0.481 nan 8.240 nan 0.000 0.510 419 V N -1.754 118.200 119.914 0.067 0.000 3.102 419 V HA 0.735 4.842 4.120 -0.021 0.000 0.312 419 V C -0.517 175.547 176.094 -0.051 0.000 1.135 419 V CA -1.254 61.060 62.300 0.024 0.000 1.022 419 V CB 1.644 33.540 31.823 0.122 0.000 1.056 419 V HN 1.168 nan 8.190 nan 0.000 0.436 420 E N 1.206 121.289 120.200 -0.195 0.000 2.259 420 E HA 0.281 4.618 4.350 -0.021 0.000 0.281 420 E C -0.264 176.188 176.600 -0.246 0.000 1.027 420 E CA -0.442 55.778 56.400 -0.300 0.000 0.838 420 E CB 1.255 30.580 29.700 -0.626 0.000 1.066 420 E HN 0.799 nan 8.360 nan 0.000 0.401 421 Q N 2.851 122.546 119.800 -0.174 0.000 2.394 421 Q HA 0.086 4.414 4.340 -0.021 0.000 0.248 421 Q C -1.257 174.573 176.000 -0.282 0.000 0.992 421 Q CA -0.038 55.667 55.803 -0.164 0.000 0.888 421 Q CB 0.562 29.243 28.738 -0.094 0.000 1.257 421 Q HN 0.507 nan 8.270 nan 0.000 0.462 422 Y N 0.206 120.268 120.300 -0.396 0.000 2.419 422 Y HA 0.383 4.920 4.550 -0.021 0.000 0.328 422 Y C 0.109 175.708 175.900 -0.502 0.000 1.162 422 Y CA -0.468 57.259 58.100 -0.622 0.000 1.174 422 Y CB 2.175 39.799 38.460 -1.394 0.000 1.228 422 Y HN 0.504 nan 8.280 nan 0.000 0.473 423 S N 0.917 116.533 115.700 -0.140 0.000 2.634 423 S HA 0.740 5.198 4.470 -0.021 0.000 0.296 423 S C -1.054 173.559 174.600 0.021 0.000 1.104 423 S CA -0.892 57.291 58.200 -0.029 0.000 0.920 423 S CB 1.856 65.055 63.200 -0.001 0.000 1.111 423 S HN 0.525 nan 8.310 nan 0.000 0.493 424 V N -0.073 119.899 119.914 0.096 0.000 2.769 424 V HA 0.994 5.101 4.120 -0.021 0.000 0.312 424 V C -1.310 174.789 176.094 0.008 0.000 1.061 424 V CA -0.890 61.449 62.300 0.065 0.000 0.931 424 V CB 1.447 33.381 31.823 0.185 0.000 1.010 424 V HN 1.069 nan 8.190 nan 0.000 0.433 425 D N 1.569 121.879 120.400 -0.149 0.000 2.622 425 D HA 0.505 5.133 4.640 -0.021 0.000 0.255 425 D C -0.926 175.143 176.300 -0.385 0.000 1.246 425 D CA -0.636 53.287 54.000 -0.128 0.000 0.795 425 D CB 1.592 42.374 40.800 -0.029 0.000 1.369 425 D HN 0.300 nan 8.370 nan 0.000 0.425 426 F N -0.065 119.833 119.950 -0.087 0.000 2.735 426 F HA 0.257 4.771 4.527 -0.021 0.000 0.304 426 F C 0.951 176.715 175.800 -0.060 0.000 1.119 426 F CA -0.526 57.406 58.000 -0.112 0.000 1.280 426 F CB 0.607 39.503 39.000 -0.173 0.000 0.994 426 F HN 0.260 nan 8.300 nan 0.000 0.520 427 D N -0.234 120.208 120.400 0.069 0.000 2.218 427 D HA -0.153 4.474 4.640 -0.021 0.000 0.204 427 D C 2.280 178.600 176.300 0.034 0.000 0.976 427 D CA 1.596 55.626 54.000 0.051 0.000 0.853 427 D CB -0.160 40.657 40.800 0.028 0.000 0.939 427 D HN 0.274 nan 8.370 nan 0.000 0.481 428 S N -1.079 114.631 115.700 0.016 0.000 2.593 428 S HA 0.264 4.721 4.470 -0.021 0.000 0.217 428 S C 1.691 176.305 174.600 0.025 0.000 0.966 428 S CA 0.670 58.875 58.200 0.009 0.000 0.914 428 S CB 0.331 63.522 63.200 -0.014 0.000 0.776 428 S HN 0.297 nan 8.310 nan 0.000 0.523 429 G N -0.397 108.437 108.800 0.057 0.000 2.175 429 G HA2 -0.186 3.762 3.960 -0.021 0.000 0.244 429 G HA3 -0.186 3.762 3.960 -0.021 0.000 0.244 429 G C 0.093 175.048 174.900 0.091 0.000 0.982 429 G CA 0.090 45.232 45.100 0.070 0.000 0.641 429 G HN 0.785 nan 8.290 nan 0.000 0.527 430 S N -1.142 114.605 115.700 0.077 0.000 2.607 430 S HA 0.659 5.116 4.470 -0.021 0.000 0.273 430 S C -0.647 173.873 174.600 -0.134 0.000 1.148 430 S CA -0.627 57.607 58.200 0.057 0.000 0.833 430 S CB 1.935 65.136 63.200 0.001 0.000 1.130 430 S HN 1.163 nan 8.310 nan 0.000 0.470 431 L N 2.870 123.911 121.223 -0.303 0.000 2.513 431 L HA 0.399 4.727 4.340 -0.021 0.000 0.272 431 L C 0.216 176.853 176.870 -0.388 0.000 1.187 431 L CA 0.835 55.214 54.840 -0.769 0.000 0.895 431 L CB -0.113 41.620 42.059 -0.542 0.000 1.147 431 L HN 0.676 nan 8.230 nan 0.000 0.483 432 R N 4.143 124.412 120.500 -0.386 0.000 2.599 432 R HA 0.506 4.833 4.340 -0.021 0.000 0.295 432 R C -1.149 175.068 176.300 -0.139 0.000 0.963 432 R CA -0.531 55.451 56.100 -0.196 0.000 0.883 432 R CB 1.118 31.332 30.300 -0.144 0.000 1.171 432 R HN 0.754 nan 8.270 nan 0.000 0.450 433 E N 4.805 124.961 120.200 -0.073 0.000 2.185 433 E HA 0.313 4.651 4.350 -0.021 0.000 0.261 433 E C -1.017 175.589 176.600 0.010 0.000 0.879 433 E CA -0.774 55.617 56.400 -0.015 0.000 0.756 433 E CB 1.832 31.533 29.700 0.001 0.000 1.152 433 E HN 0.552 nan 8.360 nan 0.000 0.416 434 R N 1.451 121.976 120.500 0.042 0.000 2.707 434 R HA 0.438 4.765 4.340 -0.021 0.000 0.272 434 R C -0.845 175.399 176.300 -0.095 0.000 1.011 434 R CA -0.942 55.159 56.100 0.002 0.000 0.893 434 R CB 1.013 31.294 30.300 -0.032 0.000 1.233 434 R HN 0.438 nan 8.270 nan 0.000 0.464 435 H N 1.020 119.955 119.070 -0.224 0.000 2.897 435 H HA -0.010 4.533 4.556 -0.021 0.000 0.347 435 H C 0.425 175.617 175.328 -0.226 0.000 1.068 435 H CA 0.557 56.354 56.048 -0.418 0.000 1.426 435 H CB 0.839 30.355 29.762 -0.410 0.000 1.410 435 H HN 0.762 nan 8.280 nan 0.000 0.597 436 N N 1.261 119.915 118.700 -0.077 0.000 2.177 436 N HA 0.119 4.846 4.740 -0.021 0.000 0.218 436 N C 1.108 176.582 175.510 -0.060 0.000 1.182 436 N CA 0.257 53.272 53.050 -0.060 0.000 0.882 436 N CB 1.025 39.478 38.487 -0.057 0.000 1.052 436 N HN 0.827 nan 8.380 nan 0.000 0.519 437 G N 0.125 108.874 108.800 -0.086 0.000 2.225 437 G HA2 -0.333 3.615 3.960 -0.021 0.000 0.254 437 G HA3 -0.333 3.615 3.960 -0.021 0.000 0.254 437 G C -0.123 174.731 174.900 -0.078 0.000 0.988 437 G CA 0.330 45.380 45.100 -0.083 0.000 0.625 437 G HN 0.622 nan 8.290 nan 0.000 0.527 438 K N 1.113 121.468 120.400 -0.074 0.000 2.227 438 K HA 0.475 4.782 4.320 -0.021 0.000 0.280 438 K C 0.088 176.651 176.600 -0.061 0.000 1.041 438 K CA -0.602 55.654 56.287 -0.051 0.000 0.905 438 K CB 0.421 32.903 32.500 -0.029 0.000 1.068 438 K HN 0.093 nan 8.250 nan 0.000 0.470 439 Q N 2.552 122.329 119.800 -0.039 0.000 2.261 439 Q HA 0.263 4.590 4.340 -0.021 0.000 0.252 439 Q C -0.312 175.699 176.000 0.019 0.000 0.915 439 Q CA -0.516 55.272 55.803 -0.024 0.000 0.915 439 Q CB 1.650 30.376 28.738 -0.019 0.000 1.204 439 Q HN 0.535 nan 8.270 nan 0.000 0.421 440 V N -0.763 119.181 119.914 0.050 0.000 3.040 440 V HA 0.670 4.778 4.120 -0.021 0.000 0.312 440 V C -2.729 173.457 176.094 0.153 0.000 1.115 440 V CA -3.047 59.319 62.300 0.110 0.000 0.998 440 V CB 1.817 33.725 31.823 0.142 0.000 1.042 440 V HN 0.477 nan 8.190 nan 0.000 0.433 441 P HA 0.108 nan 4.420 nan 0.000 0.262 441 P C -0.210 177.202 177.300 0.187 0.000 1.182 441 P CA 0.192 63.381 63.100 0.149 0.000 0.761 441 P CB 0.200 31.979 31.700 0.132 0.000 0.795 442 M N 4.274 123.949 119.600 0.124 0.000 2.307 442 M HA 0.050 4.517 4.480 -0.021 0.000 0.346 442 M C -0.050 176.219 176.300 -0.051 0.000 1.552 442 M CA 0.438 55.796 55.300 0.097 0.000 1.116 442 M CB -0.261 32.389 32.600 0.083 0.000 1.889 442 M HN 0.254 nan 8.290 nan 0.000 0.460 443 N N 3.918 122.399 118.700 -0.366 0.000 2.362 443 N HA 0.207 4.935 4.740 -0.021 0.000 0.298 443 N C 0.683 175.983 175.510 -0.351 0.000 1.048 443 N CA -0.365 52.370 53.050 -0.526 0.000 0.858 443 N CB 1.883 39.648 38.487 -1.203 0.000 1.218 443 N HN 0.659 nan 8.380 nan 0.000 0.488 444 V N 1.502 121.352 119.914 -0.107 0.000 3.026 444 V HA -0.022 4.085 4.120 -0.021 0.000 0.265 444 V C 1.202 177.128 176.094 -0.281 0.000 1.121 444 V CA 1.229 63.449 62.300 -0.133 0.000 1.142 444 V CB -1.181 30.572 31.823 -0.116 0.000 0.730 444 V HN 0.503 nan 8.190 nan 0.000 0.503 445 F N -1.131 118.678 119.950 -0.236 0.000 2.797 445 F HA 0.356 4.871 4.527 -0.021 0.000 0.302 445 F C 0.932 176.661 175.800 -0.117 0.000 1.130 445 F CA -0.383 57.461 58.000 -0.261 0.000 1.387 445 F CB 0.019 38.717 39.000 -0.503 0.000 1.107 445 F HN 0.140 nan 8.300 nan 0.000 0.577 446 Y N 0.719 120.977 120.300 -0.070 0.000 2.335 446 Y HA 0.199 4.736 4.550 -0.021 0.000 0.323 446 Y C 1.631 177.525 175.900 -0.010 0.000 1.224 446 Y CA -1.921 56.152 58.100 -0.045 0.000 1.241 446 Y CB 0.617 39.094 38.460 0.028 0.000 1.235 446 Y HN -0.130 nan 8.280 nan 0.000 0.492 447 K N 0.464 120.967 120.400 0.172 0.000 2.063 447 K HA -0.188 4.119 4.320 -0.021 0.000 0.208 447 K C 0.168 176.851 176.600 0.139 0.000 1.048 447 K CA 2.102 58.453 56.287 0.107 0.000 0.928 447 K CB 0.092 32.629 32.500 0.063 0.000 0.713 447 K HN 0.622 nan 8.250 nan 0.000 0.442 448 D N 0.321 120.853 120.400 0.220 0.000 2.339 448 D HA 0.012 4.639 4.640 -0.021 0.000 0.217 448 D C 0.041 176.406 176.300 0.108 0.000 1.050 448 D CA 0.194 54.303 54.000 0.181 0.000 0.856 448 D CB 0.438 41.376 40.800 0.229 0.000 0.922 448 D HN 0.041 nan 8.370 nan 0.000 0.518 449 S N 0.416 116.180 115.700 0.108 0.000 2.576 449 S HA 0.055 4.512 4.470 -0.021 0.000 0.276 449 S C 1.174 175.735 174.600 -0.065 0.000 1.339 449 S CA -0.628 57.597 58.200 0.041 0.000 1.039 449 S CB 0.713 63.934 63.200 0.034 0.000 0.902 449 S HN 0.076 nan 8.310 nan 0.000 0.516 450 L N 4.982 126.131 121.223 -0.123 0.000 2.093 450 L HA 0.337 4.665 4.340 -0.021 0.000 0.208 450 L C -0.329 176.177 176.870 -0.607 0.000 1.085 450 L CA 1.694 56.327 54.840 -0.345 0.000 0.755 450 L CB -0.288 41.547 42.059 -0.373 0.000 0.904 450 L HN 0.646 nan 8.230 nan 0.000 0.435 451 F N 0.262 120.061 119.950 -0.251 0.000 2.467 451 F HA 0.492 5.006 4.527 -0.021 0.000 0.336 451 F C 0.094 175.782 175.800 -0.186 0.000 1.123 451 F CA -0.714 57.125 58.000 -0.269 0.000 0.964 451 F CB 1.296 40.099 39.000 -0.329 0.000 1.136 451 F HN -0.272 nan 8.300 nan 0.000 0.447 452 K N 2.935 123.324 120.400 -0.018 0.000 2.324 452 K HA 0.644 4.952 4.320 -0.021 0.000 0.253 452 K C -0.700 175.919 176.600 0.031 0.000 0.932 452 K CA -1.111 55.151 56.287 -0.042 0.000 0.799 452 K CB 2.594 35.058 32.500 -0.060 0.000 1.154 452 K HN 0.468 nan 8.250 nan 0.000 0.425 453 V N -0.560 119.293 119.914 -0.102 0.000 3.319 453 V HA 0.189 4.297 4.120 -0.021 0.000 0.303 453 V C 0.275 176.471 176.094 0.171 0.000 1.094 453 V CA -0.430 61.821 62.300 -0.083 0.000 1.106 453 V CB 0.708 32.175 31.823 -0.593 0.000 1.099 453 V HN 0.702 nan 8.190 nan 0.000 0.476 454 T N 4.200 118.809 114.554 0.092 0.000 2.928 454 T HA 0.213 4.550 4.350 -0.021 0.000 0.305 454 T C -2.119 172.618 174.700 0.062 0.000 1.035 454 T CA -0.042 62.014 62.100 -0.074 0.000 1.145 454 T CB 0.479 69.135 68.868 -0.353 0.000 0.963 454 T HN 0.866 nan 8.240 nan 0.000 0.545 455 P HA 0.199 nan 4.420 nan 0.000 0.244 455 P C -0.377 176.918 177.300 -0.007 0.000 1.769 455 P CA 0.057 63.190 63.100 0.055 0.000 1.102 455 P CB 0.008 31.744 31.700 0.059 0.000 1.937 456 T N 1.389 115.921 114.554 -0.036 0.000 2.778 456 T HA 0.358 4.695 4.350 -0.021 0.000 0.293 456 T C -1.052 173.517 174.700 -0.218 0.000 1.144 456 T CA -0.764 61.232 62.100 -0.174 0.000 1.010 456 T CB 1.152 69.835 68.868 -0.309 0.000 1.325 456 T HN 0.225 nan 8.240 nan 0.000 0.515 457 N N 1.151 119.674 118.700 -0.296 0.000 2.473 457 N HA 0.402 5.129 4.740 -0.021 0.000 0.291 457 N C -1.428 173.823 175.510 -0.431 0.000 1.083 457 N CA -0.283 52.642 53.050 -0.209 0.000 0.951 457 N CB 1.142 39.537 38.487 -0.153 0.000 1.164 457 N HN 0.598 nan 8.380 nan 0.000 0.480 458 Y N -0.274 120.019 120.300 -0.010 0.000 2.662 458 Y HA 0.615 5.152 4.550 -0.021 0.000 0.335 458 Y C 0.061 175.936 175.900 -0.042 0.000 1.066 458 Y CA -1.131 56.987 58.100 0.029 0.000 1.116 458 Y CB 1.873 40.422 38.460 0.149 0.000 1.308 458 Y HN 0.285 nan 8.280 nan 0.000 0.502 459 I N 1.294 121.952 120.570 0.147 0.000 2.509 459 I HA 0.729 4.886 4.170 -0.021 0.000 0.293 459 I C -0.715 175.421 176.117 0.032 0.000 1.020 459 I CA -0.868 60.440 61.300 0.012 0.000 1.088 459 I CB 1.867 39.823 38.000 -0.073 0.000 1.267 459 I HN 0.669 nan 8.210 nan 0.000 0.430 460 A N 6.992 129.786 122.820 -0.043 0.000 2.380 460 A HA 0.908 5.215 4.320 -0.021 0.000 0.315 460 A C -0.873 176.679 177.584 -0.054 0.000 1.101 460 A CA -0.671 51.373 52.037 0.011 0.000 0.771 460 A CB 2.122 21.066 19.000 -0.094 0.000 1.287 460 A HN 0.796 nan 8.150 nan 0.000 0.436 461 M N 1.512 121.147 119.600 0.058 0.000 2.464 461 M HA 0.631 5.099 4.480 -0.021 0.000 0.308 461 M C -0.857 175.530 176.300 0.145 0.000 1.127 461 M CA -0.119 55.199 55.300 0.030 0.000 0.913 461 M CB 2.164 34.807 32.600 0.072 0.000 1.689 461 M HN 0.791 nan 8.290 nan 0.000 0.445 462 T N 1.928 116.550 114.554 0.113 0.000 2.916 462 T HA 0.816 5.153 4.350 -0.021 0.000 0.292 462 T C -0.853 174.051 174.700 0.340 0.000 1.055 462 T CA -0.274 61.960 62.100 0.223 0.000 1.009 462 T CB 1.644 70.623 68.868 0.184 0.000 1.118 462 T HN 0.880 nan 8.240 nan 0.000 0.497 463 T N -0.237 114.553 114.554 0.395 0.000 2.907 463 T HA 0.735 5.073 4.350 -0.021 0.000 0.292 463 T C -0.644 174.232 174.700 0.293 0.000 1.043 463 T CA -0.818 61.505 62.100 0.373 0.000 1.003 463 T CB 1.653 70.657 68.868 0.226 0.000 1.084 463 T HN 0.569 nan 8.240 nan 0.000 0.483 464 S N 0.444 116.162 115.700 0.030 0.000 2.532 464 S HA 0.415 4.873 4.470 -0.021 0.000 0.299 464 S C -0.223 174.269 174.600 -0.180 0.000 1.105 464 S CA -0.631 57.373 58.200 -0.328 0.000 1.018 464 S CB 1.622 64.196 63.200 -1.043 0.000 1.021 464 S HN 0.721 nan 8.310 nan 0.000 0.483 465 Q N 2.381 122.091 119.800 -0.150 0.000 2.198 465 Q HA 0.289 4.617 4.340 -0.021 0.000 0.209 465 Q C -0.046 175.880 176.000 -0.125 0.000 0.848 465 Q CA -0.034 55.711 55.803 -0.096 0.000 0.974 465 Q CB 0.274 28.982 28.738 -0.051 0.000 1.115 465 Q HN 0.743 nan 8.270 nan 0.000 0.494 466 N N -0.909 117.673 118.700 -0.197 0.000 2.466 466 N HA 0.153 4.880 4.740 -0.021 0.000 0.272 466 N C -0.903 174.441 175.510 -0.277 0.000 1.455 466 N CA -0.507 52.422 53.050 -0.201 0.000 0.875 466 N CB 0.287 38.670 38.487 -0.174 0.000 1.372 466 N HN -0.049 nan 8.380 nan 0.000 0.492 467 R N 0.182 120.517 120.500 -0.275 0.000 3.416 467 R HA -0.148 4.179 4.340 -0.021 0.000 0.263 467 R C 0.754 176.839 176.300 -0.358 0.000 1.053 467 R CA 0.751 56.692 56.100 -0.265 0.000 0.705 467 R CB -2.107 28.064 30.300 -0.214 0.000 1.124 467 R HN 0.697 nan 8.270 nan 0.000 0.444 468 G N -0.897 107.603 108.800 -0.500 0.000 2.176 468 G HA2 -0.309 3.638 3.960 -0.021 0.000 0.232 468 G HA3 -0.309 3.638 3.960 -0.021 0.000 0.232 468 G C 0.577 175.358 174.900 -0.198 0.000 0.986 468 G CA 0.367 45.226 45.100 -0.402 0.000 0.643 468 G HN 0.534 nan 8.290 nan 0.000 0.522 469 E N 0.099 120.135 120.200 -0.274 0.000 2.208 469 E HA 0.228 4.565 4.350 -0.021 0.000 0.193 469 E C 1.287 177.847 176.600 -0.067 0.000 0.988 469 E CA 1.065 57.429 56.400 -0.060 0.000 0.828 469 E CB 0.106 29.745 29.700 -0.101 0.000 0.763 469 E HN 0.834 nan 8.360 nan 0.000 0.478 470 S N -1.150 114.396 115.700 -0.257 0.000 2.570 470 S HA 0.496 4.953 4.470 -0.021 0.000 0.270 470 S C -1.789 172.557 174.600 -0.422 0.000 1.149 470 S CA -1.111 56.986 58.200 -0.172 0.000 0.837 470 S CB 0.688 63.864 63.200 -0.040 0.000 1.124 470 S HN 0.179 nan 8.310 nan 0.000 0.465 471 W N 0.919 122.270 121.300 0.086 0.000 2.736 471 W HA 0.570 5.218 4.660 -0.021 0.000 0.335 471 W C 0.137 176.701 176.519 0.075 0.000 1.059 471 W CA -0.491 56.902 57.345 0.079 0.000 1.226 471 W CB 1.258 30.767 29.460 0.081 0.000 1.416 471 W HN 0.584 nan 8.180 nan 0.000 0.505 472 E N 1.677 122.060 120.200 0.305 0.000 2.392 472 E HA 0.079 4.417 4.350 -0.021 0.000 0.256 472 E C 0.050 176.777 176.600 0.210 0.000 1.145 472 E CA -0.246 56.277 56.400 0.204 0.000 0.929 472 E CB 0.466 30.265 29.700 0.166 0.000 0.998 472 E HN 0.283 nan 8.360 nan 0.000 0.442 473 Q N 1.154 121.033 119.800 0.132 0.000 2.337 473 Q HA 0.091 4.418 4.340 -0.021 0.000 0.270 473 Q C 0.130 176.184 176.000 0.089 0.000 1.002 473 Q CA 0.021 55.871 55.803 0.079 0.000 0.888 473 Q CB -0.245 28.486 28.738 -0.013 0.000 1.222 473 Q HN 0.337 nan 8.270 nan 0.000 0.400 474 F N 0.223 120.233 119.950 0.101 0.000 2.496 474 F HA 0.431 4.946 4.527 -0.021 0.000 0.344 474 F C 0.099 176.040 175.800 0.235 0.000 1.155 474 F CA -0.828 57.232 58.000 0.100 0.000 1.302 474 F CB 0.452 39.438 39.000 -0.023 0.000 1.159 474 F HN 0.242 nan 8.300 nan 0.000 0.595 475 K N 3.590 124.233 120.400 0.404 0.000 2.378 475 K HA 0.512 4.819 4.320 -0.021 0.000 0.252 475 K C -1.273 175.598 176.600 0.450 0.000 0.931 475 K CA -0.600 55.933 56.287 0.409 0.000 0.794 475 K CB 1.336 34.002 32.500 0.277 0.000 1.181 475 K HN 0.846 nan 8.250 nan 0.000 0.425 476 L N 4.935 126.449 121.223 0.483 0.000 2.453 476 L HA 0.191 4.518 4.340 -0.021 0.000 0.272 476 L C 0.274 177.307 176.870 0.272 0.000 1.182 476 L CA -0.356 54.703 54.840 0.366 0.000 0.858 476 L CB 0.184 42.497 42.059 0.424 0.000 1.120 476 L HN 0.485 nan 8.230 nan 0.000 0.474 477 L N 4.417 125.737 121.223 0.162 0.000 2.453 477 L HA 0.289 4.617 4.340 -0.021 0.000 0.261 477 L C -1.721 175.061 176.870 -0.147 0.000 1.179 477 L CA -1.677 53.191 54.840 0.047 0.000 0.813 477 L CB 0.399 42.472 42.059 0.022 0.000 1.110 477 L HN 0.442 nan 8.230 nan 0.000 0.466 478 P HA 0.213 nan 4.420 nan 0.000 0.274 478 P C -2.680 173.917 177.300 -1.171 0.000 1.256 478 P CA -1.465 61.117 63.100 -0.863 0.000 0.795 478 P CB -0.335 30.951 31.700 -0.690 0.000 1.038 479 P HA 0.189 nan 4.420 nan 0.000 0.275 479 P C -0.325 176.354 177.300 -1.034 0.000 1.228 479 P CA 0.074 62.580 63.100 -0.990 0.000 0.786 479 P CB 0.301 31.445 31.700 -0.927 0.000 0.927 480 F N 0.289 120.040 119.950 -0.331 0.000 2.727 480 F HA 0.283 4.798 4.527 -0.021 0.000 0.302 480 F C 1.525 177.209 175.800 -0.193 0.000 1.107 480 F CA 0.402 58.274 58.000 -0.214 0.000 1.277 480 F CB 0.139 39.046 39.000 -0.155 0.000 1.079 480 F HN 0.080 nan 8.300 nan 0.000 0.594 481 L N -0.139 121.011 121.223 -0.122 0.000 3.110 481 L HA 0.551 4.878 4.340 -0.021 0.000 0.266 481 L C 0.527 177.344 176.870 -0.087 0.000 1.257 481 L CA -0.157 54.575 54.840 -0.180 0.000 1.038 481 L CB 0.033 41.766 42.059 -0.542 0.000 1.395 481 L HN 0.178 nan 8.230 nan 0.000 0.566 482 G N 0.130 108.892 108.800 -0.063 0.000 2.712 482 G HA2 -0.195 3.752 3.960 -0.021 0.000 0.683 482 G HA3 -0.195 3.752 3.960 -0.021 0.000 0.683 482 G C 0.217 175.148 174.900 0.052 0.000 1.320 482 G CA -0.364 44.764 45.100 0.048 0.000 0.847 482 G HN 0.227 nan 8.290 nan 0.000 0.553 483 E N -0.084 120.217 120.200 0.169 0.000 2.118 483 E HA -0.121 4.217 4.350 -0.021 0.000 0.195 483 E C 1.189 177.851 176.600 0.103 0.000 0.992 483 E CA 1.192 57.702 56.400 0.182 0.000 0.804 483 E CB -0.063 29.755 29.700 0.197 0.000 0.741 483 E HN 0.263 nan 8.360 nan 0.000 0.458 484 K N 0.601 121.055 120.400 0.090 0.000 2.981 484 K HA 0.157 4.464 4.320 -0.021 0.000 0.213 484 K C -0.485 176.155 176.600 0.066 0.000 1.154 484 K CA -0.032 56.288 56.287 0.055 0.000 1.111 484 K CB 0.358 32.885 32.500 0.045 0.000 0.975 484 K HN 0.087 nan 8.250 nan 0.000 0.462 485 H N 1.566 120.612 119.070 -0.040 0.000 2.856 485 H HA 0.163 4.707 4.556 -0.021 0.000 0.355 485 H C -0.507 174.757 175.328 -0.106 0.000 1.079 485 H CA -0.785 55.228 56.048 -0.059 0.000 1.240 485 H CB 1.411 31.145 29.762 -0.047 0.000 1.701 485 H HN 0.203 nan 8.280 nan 0.000 0.527 486 N N 2.140 120.797 118.700 -0.072 0.000 2.297 486 N HA 0.027 4.754 4.740 -0.021 0.000 0.232 486 N C 0.627 176.116 175.510 -0.034 0.000 1.311 486 N CA 0.170 53.152 53.050 -0.113 0.000 0.897 486 N CB 0.305 38.672 38.487 -0.200 0.000 1.137 486 N HN 0.610 nan 8.380 nan 0.000 0.449 487 G N -0.812 107.844 108.800 -0.240 0.000 2.559 487 G HA2 0.250 4.197 3.960 -0.021 0.000 0.235 487 G HA3 0.250 4.197 3.960 -0.021 0.000 0.235 487 G C 0.402 175.076 174.900 -0.377 0.000 1.266 487 G CA 0.201 45.144 45.100 -0.262 0.000 0.847 487 G HN 0.918 nan 8.290 nan 0.000 0.583 488 T N -1.472 112.902 114.554 -0.300 0.000 2.788 488 T HA 0.388 4.726 4.350 -0.021 0.000 0.287 488 T C -0.551 173.795 174.700 -0.590 0.000 1.007 488 T CA -0.225 61.647 62.100 -0.379 0.000 1.005 488 T CB 0.763 69.485 68.868 -0.244 0.000 1.012 488 T HN 0.309 nan 8.240 nan 0.000 0.530 489 Y N 0.295 120.307 120.300 -0.480 0.000 2.331 489 Y HA 0.493 5.030 4.550 -0.021 0.000 0.338 489 Y C 0.259 175.883 175.900 -0.460 0.000 0.976 489 Y CA -1.398 56.355 58.100 -0.579 0.000 1.137 489 Y CB 1.125 38.959 38.460 -1.044 0.000 1.172 489 Y HN 0.597 nan 8.280 nan 0.000 0.478 490 L N 3.899 125.075 121.223 -0.079 0.000 2.490 490 L HA 0.165 4.492 4.340 -0.021 0.000 0.274 490 L C -0.513 176.437 176.870 0.133 0.000 1.201 490 L CA 0.000 54.830 54.840 -0.017 0.000 0.869 490 L CB 0.041 42.075 42.059 -0.041 0.000 1.123 490 L HN 0.750 nan 8.230 nan 0.000 0.484 491 C N 7.416 126.825 119.300 0.182 0.000 2.555 491 C HA 0.311 4.758 4.460 -0.021 0.000 0.385 491 C C -1.910 173.216 174.990 0.227 0.000 1.296 491 C CA -1.120 58.050 59.018 0.254 0.000 1.757 491 C CB -0.538 27.326 27.740 0.208 0.000 2.445 491 C HN 0.646 nan 8.230 nan 0.000 0.571 492 P HA 0.437 nan 4.420 nan 0.000 0.271 492 P C 0.671 178.104 177.300 0.222 0.000 1.218 492 P CA 1.101 64.335 63.100 0.224 0.000 0.780 492 P CB 0.744 32.605 31.700 0.269 0.000 0.901 493 G N 2.234 111.177 108.800 0.238 0.000 1.954 493 G HA2 -0.078 3.869 3.960 -0.021 0.000 0.169 493 G HA3 -0.078 3.869 3.960 -0.021 0.000 0.169 493 G C -1.264 173.821 174.900 0.308 0.000 1.013 493 G CA -0.501 44.751 45.100 0.254 0.000 1.258 493 G HN 0.544 nan 8.290 nan 0.000 0.442 494 Q N 0.470 120.457 119.800 0.312 0.000 2.342 494 Q HA 0.570 4.897 4.340 -0.021 0.000 0.267 494 Q C 0.319 176.465 176.000 0.243 0.000 1.038 494 Q CA -0.392 55.629 55.803 0.364 0.000 0.832 494 Q CB 2.278 31.241 28.738 0.375 0.000 1.323 494 Q HN 0.842 nan 8.270 nan 0.000 0.448 495 G N 0.677 109.505 108.800 0.046 0.000 2.588 495 G HA2 0.434 4.381 3.960 -0.021 0.000 0.281 495 G HA3 0.434 4.381 3.960 -0.021 0.000 0.281 495 G C -1.266 173.587 174.900 -0.078 0.000 1.236 495 G CA -0.365 44.452 45.100 -0.472 0.000 0.969 495 G HN 0.381 nan 8.290 nan 0.000 0.504 496 L N 0.435 121.599 121.223 -0.099 0.000 2.325 496 L HA 0.718 5.045 4.340 -0.021 0.000 0.281 496 L C 0.258 177.158 176.870 0.050 0.000 1.004 496 L CA -0.772 54.104 54.840 0.059 0.000 0.823 496 L CB 1.339 43.456 42.059 0.096 0.000 1.236 496 L HN 0.608 nan 8.230 nan 0.000 0.415 497 A N 5.543 128.431 122.820 0.114 0.000 2.294 497 A HA 0.574 4.882 4.320 -0.021 0.000 0.316 497 A C -0.607 177.027 177.584 0.082 0.000 1.359 497 A CA -0.565 51.532 52.037 0.101 0.000 0.956 497 A CB -0.107 18.983 19.000 0.150 0.000 1.155 497 A HN 0.630 nan 8.150 nan 0.000 0.544 498 L N 2.457 123.714 121.223 0.056 0.000 2.525 498 L HA 0.057 4.385 4.340 -0.021 0.000 0.278 498 L C 1.655 178.547 176.870 0.037 0.000 1.218 498 L CA 0.794 55.658 54.840 0.039 0.000 0.878 498 L CB 0.114 42.184 42.059 0.020 0.000 1.127 498 L HN 0.804 nan 8.230 nan 0.000 0.492 499 K N 0.850 121.269 120.400 0.031 0.000 2.097 499 K HA 0.000 4.307 4.320 -0.021 0.000 0.205 499 K C 0.560 177.172 176.600 0.019 0.000 1.050 499 K CA 1.214 57.518 56.287 0.028 0.000 0.938 499 K CB 0.101 32.614 32.500 0.023 0.000 0.718 499 K HN 0.563 nan 8.250 nan 0.000 0.442 500 S N 0.756 116.462 115.700 0.010 0.000 2.525 500 S HA 0.134 4.592 4.470 -0.021 0.000 0.242 500 S C -0.650 173.950 174.600 0.001 0.000 1.164 500 S CA -0.517 57.685 58.200 0.004 0.000 1.154 500 S CB 0.545 63.744 63.200 -0.002 0.000 0.875 500 S HN 0.322 nan 8.310 nan 0.000 0.482 501 S N 0.314 116.017 115.700 0.005 0.000 2.724 501 S HA 0.366 4.824 4.470 -0.021 0.000 0.278 501 S C -0.657 173.947 174.600 0.006 0.000 1.190 501 S CA -0.927 57.274 58.200 0.001 0.000 0.860 501 S CB 0.467 63.664 63.200 -0.005 0.000 1.206 501 S HN 0.155 nan 8.310 nan 0.000 0.507 502 N N -0.344 118.356 118.700 -0.000 0.000 2.268 502 N HA 0.230 4.958 4.740 -0.021 0.000 0.204 502 N C 0.151 175.658 175.510 -0.006 0.000 1.124 502 N CA -0.302 52.748 53.050 -0.001 0.000 0.838 502 N CB 0.255 38.736 38.487 -0.010 0.000 0.994 502 N HN 0.430 nan 8.380 nan 0.000 0.489 503 R N 1.546 122.046 120.500 0.000 0.000 2.389 503 R HA 0.280 4.607 4.340 -0.021 0.000 0.295 503 R C -0.936 175.379 176.300 0.024 0.000 1.075 503 R CA -0.056 56.045 56.100 0.002 0.000 1.005 503 R CB 0.413 30.718 30.300 0.008 0.000 0.987 503 R HN 0.070 nan 8.270 nan 0.000 0.452 504 L N 6.235 127.475 121.223 0.030 0.000 2.346 504 L HA 0.546 4.873 4.340 -0.021 0.000 0.276 504 L C -0.432 176.547 176.870 0.182 0.000 1.006 504 L CA -0.845 54.044 54.840 0.083 0.000 0.817 504 L CB 1.847 43.976 42.059 0.118 0.000 1.272 504 L HN 0.573 nan 8.230 nan 0.000 0.421 505 I N 2.161 122.809 120.570 0.131 0.000 2.499 505 I HA 0.391 4.548 4.170 -0.021 0.000 0.288 505 I C -1.206 174.943 176.117 0.054 0.000 1.048 505 I CA -0.315 61.117 61.300 0.220 0.000 1.062 505 I CB 2.159 40.285 38.000 0.211 0.000 1.238 505 I HN 0.342 nan 8.210 nan 0.000 0.426 506 F N 4.103 124.206 119.950 0.254 0.000 2.426 506 F HA 0.609 5.123 4.527 -0.021 0.000 0.348 506 F C 0.704 176.544 175.800 0.067 0.000 1.124 506 F CA -0.537 57.532 58.000 0.116 0.000 1.008 506 F CB 1.861 40.832 39.000 -0.049 0.000 1.139 506 F HN 0.468 nan 8.300 nan 0.000 0.452 507 A N 2.488 125.444 122.820 0.228 0.000 2.425 507 A HA 0.607 4.914 4.320 -0.021 0.000 0.249 507 A C 0.210 177.771 177.584 -0.038 0.000 1.084 507 A CA 0.110 52.138 52.037 -0.015 0.000 0.781 507 A CB 0.102 19.074 19.000 -0.047 0.000 1.019 507 A HN 0.790 nan 8.150 nan 0.000 0.490 508 T N -0.701 113.740 114.554 -0.189 0.000 2.865 508 T HA 0.736 5.074 4.350 -0.021 0.000 0.294 508 T C -0.724 173.905 174.700 -0.119 0.000 1.119 508 T CA -0.474 61.545 62.100 -0.135 0.000 1.007 508 T CB 1.264 70.007 68.868 -0.209 0.000 1.225 508 T HN 1.278 nan 8.240 nan 0.000 0.515 509 Y N -1.417 118.836 120.300 -0.078 0.000 2.576 509 Y HA 0.886 5.424 4.550 -0.020 0.000 0.346 509 Y C -0.201 175.739 175.900 0.067 0.000 1.018 509 Y CA -0.957 57.108 58.100 -0.058 0.000 1.050 509 Y CB 1.856 40.301 38.460 -0.024 0.000 1.280 509 Y HN 0.993 nan 8.280 nan 0.000 0.474 510 T N 0.008 114.692 114.554 0.216 0.000 2.671 510 T HA 0.343 4.680 4.350 -0.021 0.000 0.300 510 T C -1.123 173.732 174.700 0.258 0.000 1.238 510 T CA -0.595 61.648 62.100 0.238 0.000 1.020 510 T CB 1.280 70.240 68.868 0.152 0.000 1.503 510 T HN 0.932 nan 8.240 nan 0.000 0.497 511 S N 0.129 115.970 115.700 0.236 0.000 2.546 511 S HA 0.412 4.870 4.470 -0.021 0.000 0.290 511 S C 1.485 176.173 174.600 0.147 0.000 1.262 511 S CA 1.534 59.846 58.200 0.186 0.000 1.083 511 S CB -0.796 62.492 63.200 0.147 0.000 0.859 511 S HN 1.876 nan 8.310 nan 0.000 0.495 512 G N 3.313 112.193 108.800 0.133 0.000 2.179 512 G HA2 -0.224 3.724 3.960 -0.021 0.000 0.260 512 G HA3 -0.224 3.724 3.960 -0.021 0.000 0.260 512 G C -0.198 174.727 174.900 0.041 0.000 0.977 512 G CA 0.546 45.696 45.100 0.084 0.000 0.641 512 G HN 1.144 nan 8.290 nan 0.000 0.533 513 E N -0.990 119.232 120.200 0.036 0.000 2.416 513 E HA 0.659 4.996 4.350 -0.021 0.000 0.280 513 E C -0.782 175.749 176.600 -0.115 0.000 1.055 513 E CA -1.339 55.031 56.400 -0.050 0.000 0.825 513 E CB 0.786 30.453 29.700 -0.055 0.000 1.312 513 E HN 0.214 nan 8.360 nan 0.000 0.452 514 L N 1.225 122.277 121.223 -0.284 0.000 2.312 514 L HA 0.449 4.776 4.340 -0.021 0.000 0.281 514 L C -0.423 176.167 176.870 -0.467 0.000 1.070 514 L CA -0.587 53.962 54.840 -0.485 0.000 0.805 514 L CB 1.582 43.119 42.059 -0.870 0.000 1.174 514 L HN 0.639 nan 8.230 nan 0.000 0.434 515 T N 1.859 116.141 114.554 -0.453 0.000 2.912 515 T HA 0.374 4.712 4.350 -0.021 0.000 0.326 515 T C -0.638 173.837 174.700 -0.376 0.000 1.080 515 T CA -0.447 61.460 62.100 -0.322 0.000 1.000 515 T CB -0.011 68.717 68.868 -0.235 0.000 1.008 515 T HN 0.122 nan 8.240 nan 0.000 0.473 516 Y N 2.538 122.734 120.300 -0.174 0.000 2.335 516 Y HA 0.393 4.930 4.550 -0.022 0.000 0.331 516 Y C 0.575 176.429 175.900 -0.076 0.000 1.094 516 Y CA -1.007 57.038 58.100 -0.091 0.000 1.253 516 Y CB 0.498 38.956 38.460 -0.003 0.000 1.203 516 Y HN 0.421 nan 8.280 nan 0.000 0.508 517 L N 5.841 127.117 121.223 0.087 0.000 2.272 517 L HA 0.506 4.833 4.340 -0.021 0.000 0.289 517 L C -0.583 176.565 176.870 0.464 0.000 1.032 517 L CA -0.357 54.513 54.840 0.050 0.000 0.810 517 L CB 0.810 42.705 42.059 -0.274 0.000 1.205 517 L HN 0.552 nan 8.230 nan 0.000 0.422 518 I N 2.372 123.219 120.570 0.461 0.000 2.406 518 I HA 0.339 4.497 4.170 -0.021 0.000 0.290 518 I C -0.149 176.077 176.117 0.182 0.000 0.999 518 I CA -0.161 61.348 61.300 0.350 0.000 1.124 518 I CB 2.165 40.286 38.000 0.201 0.000 1.289 518 I HN 0.504 nan 8.210 nan 0.000 0.441 519 S N 3.819 119.449 115.700 -0.116 0.000 2.521 519 S HA 0.397 4.854 4.470 -0.021 0.000 0.295 519 S C -0.359 174.096 174.600 -0.241 0.000 1.098 519 S CA -0.611 57.297 58.200 -0.486 0.000 0.999 519 S CB 1.250 63.649 63.200 -1.336 0.000 1.034 519 S HN 0.592 nan 8.310 nan 0.000 0.483 520 D N 2.279 122.572 120.400 -0.180 0.000 2.440 520 D HA 0.159 4.787 4.640 -0.021 0.000 0.216 520 D C -0.332 175.907 176.300 -0.102 0.000 1.150 520 D CA 0.181 54.120 54.000 -0.102 0.000 0.832 520 D CB 0.562 41.328 40.800 -0.057 0.000 0.992 520 D HN 0.726 nan 8.370 nan 0.000 0.502 521 D N -0.946 119.362 120.400 -0.153 0.000 2.945 521 D HA 0.070 4.698 4.640 -0.021 0.000 0.366 521 D C -0.126 176.107 176.300 -0.111 0.000 1.352 521 D CA -0.745 53.189 54.000 -0.109 0.000 0.810 521 D CB -0.000 40.745 40.800 -0.090 0.000 1.170 521 D HN -0.284 nan 8.370 nan 0.000 0.461 522 S N -0.404 115.234 115.700 -0.103 0.000 3.635 522 S HA -0.047 4.410 4.470 -0.021 0.000 0.328 522 S C 1.449 176.025 174.600 -0.041 0.000 1.135 522 S CA 0.977 59.150 58.200 -0.044 0.000 0.942 522 S CB -1.701 61.499 63.200 0.001 0.000 0.930 522 S HN 1.511 nan 8.310 nan 0.000 0.512 523 G N -0.143 108.518 108.800 -0.231 0.000 2.159 523 G HA2 -0.367 3.580 3.960 -0.021 0.000 0.256 523 G HA3 -0.367 3.580 3.960 -0.021 0.000 0.256 523 G C 0.539 175.393 174.900 -0.076 0.000 0.977 523 G CA 0.790 45.753 45.100 -0.229 0.000 0.652 523 G HN 0.624 nan 8.290 nan 0.000 0.531 524 Q N -0.265 119.466 119.800 -0.115 0.000 2.079 524 Q HA 0.097 4.425 4.340 -0.021 0.000 0.200 524 Q C 1.499 177.493 176.000 -0.010 0.000 0.974 524 Q CA 1.597 57.398 55.803 -0.004 0.000 0.840 524 Q CB 0.070 28.803 28.738 -0.008 0.000 0.898 524 Q HN 0.842 nan 8.270 nan 0.000 0.430 525 T N -3.023 111.417 114.554 -0.189 0.000 2.903 525 T HA 0.544 4.881 4.350 -0.021 0.000 0.299 525 T C -1.565 172.931 174.700 -0.339 0.000 1.093 525 T CA -0.890 61.157 62.100 -0.088 0.000 1.002 525 T CB 1.286 70.153 68.868 -0.002 0.000 1.127 525 T HN 0.169 nan 8.240 nan 0.000 0.488 526 W N 1.306 122.728 121.300 0.202 0.000 2.936 526 W HA 0.674 5.321 4.660 -0.021 0.000 0.338 526 W C -0.274 176.425 176.519 0.299 0.000 1.121 526 W CA -0.832 56.660 57.345 0.246 0.000 1.209 526 W CB 2.033 31.697 29.460 0.340 0.000 1.420 526 W HN 1.029 nan 8.180 nan 0.000 0.516 527 K N 1.290 121.933 120.400 0.406 0.000 2.395 527 K HA 0.744 5.052 4.320 -0.021 0.000 0.247 527 K C -0.845 175.854 176.600 0.165 0.000 0.973 527 K CA -1.210 55.262 56.287 0.309 0.000 0.828 527 K CB 2.343 34.958 32.500 0.191 0.000 1.272 527 K HN 0.448 nan 8.250 nan 0.000 0.439 528 K N 0.069 120.542 120.400 0.122 0.000 2.095 528 K HA 0.352 4.659 4.320 -0.021 0.000 0.252 528 K C -0.911 175.750 176.600 0.103 0.000 0.977 528 K CA -0.680 55.608 56.287 0.002 0.000 0.900 528 K CB 1.797 34.276 32.500 -0.035 0.000 1.060 528 K HN 0.476 nan 8.250 nan 0.000 0.449 529 S N 1.349 117.135 115.700 0.144 0.000 2.756 529 S HA 0.278 4.736 4.470 -0.021 0.000 0.303 529 S C -1.275 173.456 174.600 0.218 0.000 1.135 529 S CA -0.700 57.635 58.200 0.225 0.000 1.066 529 S CB 0.998 64.404 63.200 0.343 0.000 1.008 529 S HN 0.611 nan 8.310 nan 0.000 0.482 530 S N 3.295 119.077 115.700 0.138 0.000 2.525 530 S HA 0.754 5.211 4.470 -0.021 0.000 0.278 530 S C -0.202 174.449 174.600 0.086 0.000 1.234 530 S CA -0.545 57.688 58.200 0.055 0.000 1.058 530 S CB 1.360 64.574 63.200 0.024 0.000 0.983 530 S HN 0.974 nan 8.310 nan 0.000 0.495 531 A N 2.475 125.282 122.820 -0.022 0.000 2.410 531 A HA 0.614 4.921 4.320 -0.021 0.000 0.289 531 A C 0.085 177.626 177.584 -0.072 0.000 1.200 531 A CA -0.621 51.403 52.037 -0.021 0.000 0.751 531 A CB 0.922 19.829 19.000 -0.156 0.000 1.161 531 A HN 0.638 nan 8.150 nan 0.000 0.459 532 S N 2.147 117.836 115.700 -0.017 0.000 2.560 532 S HA 0.470 4.927 4.470 -0.021 0.000 0.284 532 S C 0.203 174.764 174.600 -0.064 0.000 1.327 532 S CA 0.051 58.230 58.200 -0.034 0.000 1.055 532 S CB -0.305 62.888 63.200 -0.011 0.000 0.868 532 S HN 1.046 nan 8.310 nan 0.000 0.506 533 I N 2.148 122.667 120.570 -0.084 0.000 2.689 533 I HA 0.587 4.745 4.170 -0.021 0.000 0.299 533 I C -2.502 173.433 176.117 -0.302 0.000 1.059 533 I CA -2.801 58.412 61.300 -0.146 0.000 1.055 533 I CB 2.545 40.549 38.000 0.007 0.000 1.243 533 I HN 0.362 nan 8.210 nan 0.000 0.425 534 P HA 0.275 nan 4.420 nan 0.000 0.228 534 P C -1.229 175.690 177.300 -0.635 0.000 1.764 534 P CA 0.149 62.930 63.100 -0.531 0.000 0.929 534 P CB -0.746 30.706 31.700 -0.413 0.000 1.675 535 F N -0.613 119.394 119.950 0.094 0.000 2.569 535 F HA 0.493 5.007 4.527 -0.021 0.000 0.312 535 F C 0.576 176.419 175.800 0.071 0.000 1.109 535 F CA -1.225 56.823 58.000 0.080 0.000 0.919 535 F CB 1.923 40.978 39.000 0.092 0.000 1.211 535 F HN -0.359 nan 8.300 nan 0.000 0.446 536 K N 0.618 121.154 120.400 0.226 0.000 2.123 536 K HA 0.461 4.768 4.320 -0.021 0.000 0.248 536 K C -0.218 176.481 176.600 0.164 0.000 0.969 536 K CA -0.965 55.422 56.287 0.166 0.000 0.882 536 K CB 0.934 33.502 32.500 0.112 0.000 1.080 536 K HN 0.772 nan 8.250 nan 0.000 0.441 537 N N -0.828 117.959 118.700 0.144 0.000 2.741 537 N HA -0.233 4.494 4.740 -0.021 0.000 0.250 537 N C -1.034 174.539 175.510 0.105 0.000 1.115 537 N CA 0.381 53.503 53.050 0.121 0.000 0.724 537 N CB -0.909 37.635 38.487 0.095 0.000 1.090 537 N HN 0.642 nan 8.380 nan 0.000 0.558 538 A N 0.023 122.914 122.820 0.119 0.000 2.310 538 A HA 0.532 4.839 4.320 -0.021 0.000 0.299 538 A C 0.627 178.181 177.584 -0.049 0.000 1.147 538 A CA -0.138 51.915 52.037 0.027 0.000 0.818 538 A CB 0.676 19.704 19.000 0.047 0.000 1.096 538 A HN 0.167 nan 8.150 nan 0.000 0.495 539 T N 2.737 117.194 114.554 -0.163 0.000 3.414 539 T HA 0.368 4.706 4.350 -0.021 0.000 0.304 539 T C 0.584 174.903 174.700 -0.634 0.000 1.241 539 T CA 0.540 62.379 62.100 -0.435 0.000 1.076 539 T CB -0.235 68.536 68.868 -0.162 0.000 1.134 539 T HN 0.810 nan 8.240 nan 0.000 0.759 540 A N 3.531 125.846 122.820 -0.842 0.000 3.126 540 A HA 0.284 4.591 4.320 -0.021 0.000 0.268 540 A C 0.493 177.876 177.584 -0.334 0.000 1.605 540 A CA -0.601 51.240 52.037 -0.327 0.000 1.305 540 A CB -0.354 18.626 19.000 -0.035 0.000 1.160 540 A HN 0.698 nan 8.150 nan 0.000 0.609 541 E N 1.049 121.063 120.200 -0.310 0.000 2.299 541 E HA 0.409 4.746 4.350 -0.021 0.000 0.272 541 E C 0.167 176.805 176.600 0.065 0.000 1.043 541 E CA 0.156 56.505 56.400 -0.086 0.000 0.895 541 E CB 0.869 30.513 29.700 -0.094 0.000 1.011 541 E HN 0.616 nan 8.360 nan 0.000 0.432 542 A N 4.126 127.009 122.820 0.104 0.000 2.371 542 A HA 0.472 4.779 4.320 -0.021 0.000 0.311 542 A C -0.840 176.851 177.584 0.179 0.000 1.068 542 A CA -0.824 51.305 52.037 0.153 0.000 0.744 542 A CB 1.369 20.351 19.000 -0.029 0.000 1.239 542 A HN 0.464 nan 8.150 nan 0.000 0.435 543 Q N 1.086 121.037 119.800 0.250 0.000 2.397 543 Q HA 0.604 4.931 4.340 -0.021 0.000 0.275 543 Q C -1.201 174.991 176.000 0.321 0.000 1.090 543 Q CA -0.289 55.673 55.803 0.265 0.000 0.809 543 Q CB 2.388 31.276 28.738 0.249 0.000 1.362 543 Q HN 0.847 nan 8.270 nan 0.000 0.431 544 M N 1.422 121.193 119.600 0.286 0.000 2.528 544 M HA 0.665 5.132 4.480 -0.021 0.000 0.321 544 M C -0.319 176.138 176.300 0.262 0.000 1.153 544 M CA -1.127 54.335 55.300 0.270 0.000 0.951 544 M CB 2.409 35.159 32.600 0.250 0.000 1.705 544 M HN 0.420 nan 8.290 nan 0.000 0.451 545 V N -0.996 119.066 119.914 0.247 0.000 2.789 545 V HA 0.581 4.688 4.120 -0.021 0.000 0.311 545 V C -0.971 175.209 176.094 0.143 0.000 1.073 545 V CA -0.749 61.679 62.300 0.214 0.000 0.921 545 V CB 1.897 33.893 31.823 0.288 0.000 1.009 545 V HN 0.954 nan 8.190 nan 0.000 0.426 546 E N 2.705 122.969 120.200 0.106 0.000 2.044 546 E HA 0.417 4.755 4.350 -0.021 0.000 0.282 546 E C 0.439 177.071 176.600 0.053 0.000 1.031 546 E CA -0.423 56.014 56.400 0.062 0.000 0.824 546 E CB 1.306 31.034 29.700 0.048 0.000 1.076 546 E HN 0.829 nan 8.360 nan 0.000 0.395 547 L N 4.423 125.669 121.223 0.039 0.000 2.093 547 L HA -0.042 4.285 4.340 -0.021 0.000 0.208 547 L C 1.203 178.078 176.870 0.008 0.000 1.085 547 L CA 1.102 55.958 54.840 0.026 0.000 0.755 547 L CB -0.373 41.693 42.059 0.011 0.000 0.904 547 L HN 0.549 nan 8.230 nan 0.000 0.435 548 R N -2.395 118.103 120.500 -0.002 0.000 2.741 548 R HA 0.268 4.596 4.340 -0.021 0.000 0.274 548 R C -1.477 174.813 176.300 -0.016 0.000 1.029 548 R CA -1.041 55.053 56.100 -0.010 0.000 0.880 548 R CB 0.430 30.720 30.300 -0.016 0.000 1.264 548 R HN -0.319 nan 8.270 nan 0.000 0.465 549 D N 0.560 120.950 120.400 -0.018 0.000 2.502 549 D HA 0.213 4.840 4.640 -0.021 0.000 0.249 549 D C 1.244 177.522 176.300 -0.036 0.000 1.188 549 D CA 2.418 56.405 54.000 -0.021 0.000 0.890 549 D CB 0.706 41.495 40.800 -0.019 0.000 1.140 549 D HN 0.822 nan 8.370 nan 0.000 0.505 550 G N 1.533 110.307 108.800 -0.044 0.000 2.179 550 G HA2 -0.254 3.694 3.960 -0.021 0.000 0.260 550 G HA3 -0.254 3.694 3.960 -0.021 0.000 0.260 550 G C 0.260 175.096 174.900 -0.106 0.000 0.977 550 G CA 0.167 45.224 45.100 -0.073 0.000 0.641 550 G HN 0.519 nan 8.290 nan 0.000 0.533 551 V N 1.925 121.789 119.914 -0.082 0.000 2.328 551 V HA 0.627 4.735 4.120 -0.021 0.000 0.278 551 V C 0.338 176.391 176.094 -0.068 0.000 1.021 551 V CA -0.553 61.691 62.300 -0.094 0.000 0.838 551 V CB 1.401 33.186 31.823 -0.062 0.000 0.999 551 V HN 0.317 nan 8.190 nan 0.000 0.447 552 I N 5.121 125.627 120.570 -0.107 0.000 2.378 552 I HA 0.570 4.727 4.170 -0.021 0.000 0.291 552 I C 0.075 176.219 176.117 0.044 0.000 0.992 552 I CA -0.573 60.717 61.300 -0.016 0.000 1.154 552 I CB 1.772 39.770 38.000 -0.004 0.000 1.315 552 I HN 0.501 nan 8.210 nan 0.000 0.448 553 R N 3.835 124.368 120.500 0.054 0.000 2.393 553 R HA 0.572 4.899 4.340 -0.021 0.000 0.310 553 R C -1.084 175.164 176.300 -0.088 0.000 0.968 553 R CA -0.266 55.814 56.100 -0.033 0.000 0.867 553 R CB 1.472 31.646 30.300 -0.210 0.000 1.124 553 R HN 0.597 nan 8.270 nan 0.000 0.450 554 T N 4.998 119.539 114.554 -0.021 0.000 2.779 554 T HA 0.425 4.762 4.350 -0.021 0.000 0.280 554 T C -0.990 173.695 174.700 -0.025 0.000 0.987 554 T CA -0.277 61.861 62.100 0.064 0.000 0.966 554 T CB 0.419 69.403 68.868 0.193 0.000 0.933 554 T HN 0.288 nan 8.240 nan 0.000 0.442 555 F N 4.085 124.254 119.950 0.364 0.000 2.443 555 F HA 0.727 5.242 4.527 -0.020 0.000 0.335 555 F C -0.095 175.906 175.800 0.335 0.000 1.104 555 F CA -1.382 56.802 58.000 0.306 0.000 1.013 555 F CB 1.028 40.132 39.000 0.172 0.000 1.136 555 F HN 0.583 nan 8.300 nan 0.000 0.470 556 F N 0.052 120.120 119.950 0.196 0.000 2.654 556 F HA 0.611 5.126 4.527 -0.019 0.000 0.308 556 F C -0.730 175.067 175.800 -0.005 0.000 1.108 556 F CA -1.599 56.439 58.000 0.064 0.000 0.957 556 F CB 1.323 40.335 39.000 0.020 0.000 1.309 556 F HN 0.439 nan 8.300 nan 0.000 0.446 557 R N 1.695 122.229 120.500 0.056 0.000 2.590 557 R HA 0.536 4.864 4.340 -0.021 0.000 0.274 557 R C -0.407 175.795 176.300 -0.163 0.000 1.061 557 R CA 0.708 56.739 56.100 -0.114 0.000 1.081 557 R CB 0.843 31.058 30.300 -0.142 0.000 0.984 557 R HN 1.069 nan 8.270 nan 0.000 0.448 558 T N -1.096 113.265 114.554 -0.322 0.000 2.742 558 T HA 0.245 4.582 4.350 -0.021 0.000 0.282 558 T C 0.618 175.009 174.700 -0.515 0.000 1.025 558 T CA -0.239 61.508 62.100 -0.590 0.000 1.020 558 T CB 1.521 69.948 68.868 -0.736 0.000 1.317 558 T HN 0.598 nan 8.240 nan 0.000 0.538 559 T N -2.084 112.082 114.554 -0.646 0.000 3.145 559 T HA 0.185 4.522 4.350 -0.021 0.000 0.255 559 T C 1.460 175.991 174.700 -0.282 0.000 1.039 559 T CA 0.517 62.403 62.100 -0.355 0.000 0.928 559 T CB -0.704 68.029 68.868 -0.225 0.000 1.029 559 T HN 0.877 nan 8.240 nan 0.000 0.554 560 T N -2.595 111.766 114.554 -0.322 0.000 3.040 560 T HA 0.476 4.814 4.350 -0.021 0.000 0.250 560 T C 1.980 176.540 174.700 -0.233 0.000 1.058 560 T CA 0.578 62.535 62.100 -0.237 0.000 0.988 560 T CB -0.240 68.471 68.868 -0.261 0.000 0.993 560 T HN 0.780 nan 8.240 nan 0.000 0.519 561 G N 1.201 109.851 108.800 -0.251 0.000 2.176 561 G HA2 -0.216 3.732 3.960 -0.021 0.000 0.253 561 G HA3 -0.216 3.732 3.960 -0.021 0.000 0.253 561 G C -0.110 174.671 174.900 -0.199 0.000 0.979 561 G CA 0.206 45.165 45.100 -0.235 0.000 0.641 561 G HN 0.696 nan 8.290 nan 0.000 0.530 562 K N -0.201 120.092 120.400 -0.177 0.000 2.371 562 K HA 0.668 4.975 4.320 -0.021 0.000 0.251 562 K C 0.171 176.749 176.600 -0.037 0.000 0.934 562 K CA -1.058 55.175 56.287 -0.090 0.000 0.798 562 K CB 2.080 34.549 32.500 -0.053 0.000 1.204 562 K HN 0.159 nan 8.250 nan 0.000 0.427 563 I N 2.401 122.941 120.570 -0.049 0.000 2.588 563 I HA 0.078 4.236 4.170 -0.021 0.000 0.283 563 I C 0.392 176.488 176.117 -0.036 0.000 1.119 563 I CA 0.074 61.328 61.300 -0.078 0.000 1.419 563 I CB 0.969 38.917 38.000 -0.086 0.000 1.394 563 I HN 0.643 nan 8.210 nan 0.000 0.562 564 A N 6.730 129.338 122.820 -0.354 0.000 2.281 564 A HA 0.817 5.124 4.320 -0.021 0.000 0.329 564 A C -1.008 176.342 177.584 -0.390 0.000 1.122 564 A CA -0.332 51.289 52.037 -0.693 0.000 0.850 564 A CB 1.002 19.191 19.000 -1.352 0.000 1.207 564 A HN 0.702 nan 8.150 nan 0.000 0.495 565 Y N -1.693 118.438 120.300 -0.282 0.000 2.597 565 Y HA 0.772 5.309 4.550 -0.022 0.000 0.340 565 Y C -0.816 175.156 175.900 0.121 0.000 1.097 565 Y CA -1.406 56.688 58.100 -0.009 0.000 1.037 565 Y CB 1.284 39.703 38.460 -0.068 0.000 1.305 565 Y HN 0.915 nan 8.280 nan 0.000 0.463 566 M N 0.550 120.371 119.600 0.367 0.000 2.618 566 M HA 0.894 5.361 4.480 -0.021 0.000 0.281 566 M C -1.817 174.728 176.300 0.407 0.000 1.267 566 M CA -0.683 54.813 55.300 0.325 0.000 0.845 566 M CB 2.693 35.489 32.600 0.327 0.000 1.732 566 M HN 0.627 nan 8.290 nan 0.000 0.461 567 T N 0.866 115.635 114.554 0.358 0.000 2.886 567 T HA 0.584 4.921 4.350 -0.021 0.000 0.292 567 T C -1.172 173.505 174.700 -0.037 0.000 1.012 567 T CA -0.687 61.531 62.100 0.197 0.000 0.982 567 T CB 1.852 70.785 68.868 0.109 0.000 1.018 567 T HN 0.715 nan 8.240 nan 0.000 0.451 568 S N 1.117 116.537 115.700 -0.467 0.000 2.482 568 S HA 0.486 4.943 4.470 -0.021 0.000 0.303 568 S C 0.341 174.670 174.600 -0.453 0.000 1.091 568 S CA -0.817 56.877 58.200 -0.844 0.000 1.057 568 S CB 0.882 62.984 63.200 -1.830 0.000 1.031 568 S HN 0.668 nan 8.310 nan 0.000 0.485 569 R N 1.519 121.816 120.500 -0.338 0.000 2.509 569 R HA 0.208 4.536 4.340 -0.021 0.000 0.300 569 R C -0.627 175.553 176.300 -0.200 0.000 0.985 569 R CA 0.137 56.111 56.100 -0.211 0.000 1.092 569 R CB 0.265 30.483 30.300 -0.137 0.000 1.237 569 R HN 0.673 nan 8.270 nan 0.000 0.546 570 D N -1.431 118.807 120.400 -0.269 0.000 2.819 570 D HA 0.092 4.719 4.640 -0.021 0.000 0.326 570 D C -0.386 175.783 176.300 -0.220 0.000 1.408 570 D CA -0.601 53.275 54.000 -0.207 0.000 0.811 570 D CB 0.477 41.170 40.800 -0.179 0.000 1.148 570 D HN -0.182 nan 8.370 nan 0.000 0.457 571 S N -0.353 115.208 115.700 -0.232 0.000 3.635 571 S HA -0.026 4.432 4.470 -0.021 0.000 0.328 571 S C 1.444 175.926 174.600 -0.196 0.000 1.135 571 S CA 1.067 59.161 58.200 -0.176 0.000 0.942 571 S CB -1.554 61.588 63.200 -0.096 0.000 0.930 571 S HN 1.457 nan 8.310 nan 0.000 0.512 572 G N -0.271 108.284 108.800 -0.408 0.000 2.175 572 G HA2 -0.287 3.661 3.960 -0.021 0.000 0.244 572 G HA3 -0.287 3.661 3.960 -0.021 0.000 0.244 572 G C 0.567 175.344 174.900 -0.204 0.000 0.982 572 G CA 0.493 45.376 45.100 -0.361 0.000 0.641 572 G HN 0.521 nan 8.290 nan 0.000 0.527 573 E N 0.318 120.380 120.200 -0.231 0.000 2.072 573 E HA 0.019 4.356 4.350 -0.021 0.000 0.191 573 E C 1.647 178.189 176.600 -0.096 0.000 0.985 573 E CA 1.842 58.185 56.400 -0.096 0.000 0.801 573 E CB -0.138 29.511 29.700 -0.085 0.000 0.750 573 E HN 0.907 nan 8.360 nan 0.000 0.452 574 T N -2.814 111.555 114.554 -0.308 0.000 2.906 574 T HA 0.550 4.887 4.350 -0.021 0.000 0.295 574 T C -1.279 173.089 174.700 -0.554 0.000 1.075 574 T CA -0.920 61.053 62.100 -0.212 0.000 1.005 574 T CB 1.483 70.289 68.868 -0.103 0.000 1.136 574 T HN 0.051 nan 8.240 nan 0.000 0.498 575 W N 1.010 122.291 121.300 -0.031 0.000 3.022 575 W HA 0.606 5.253 4.660 -0.022 0.000 0.335 575 W C 0.535 177.050 176.519 -0.006 0.000 1.133 575 W CA -0.735 56.594 57.345 -0.027 0.000 1.219 575 W CB 2.132 31.594 29.460 0.003 0.000 1.409 575 W HN 1.037 nan 8.180 nan 0.000 0.507 576 S N 1.373 117.210 115.700 0.228 0.000 2.617 576 S HA 0.416 4.873 4.470 -0.021 0.000 0.259 576 S C 0.296 174.975 174.600 0.133 0.000 1.301 576 S CA -0.543 57.740 58.200 0.137 0.000 0.984 576 S CB 0.712 63.978 63.200 0.110 0.000 0.954 576 S HN 0.451 nan 8.310 nan 0.000 0.572 577 K N -0.220 120.219 120.400 0.065 0.000 2.156 577 K HA 0.336 4.644 4.320 -0.021 0.000 0.242 577 K C -0.644 175.946 176.600 -0.016 0.000 1.033 577 K CA -0.506 55.795 56.287 0.024 0.000 0.878 577 K CB 0.184 32.685 32.500 0.001 0.000 1.057 577 K HN 0.414 nan 8.250 nan 0.000 0.505 578 V N 1.582 121.452 119.914 -0.073 0.000 2.465 578 V HA 0.154 4.262 4.120 -0.021 0.000 0.279 578 V C -0.110 175.738 176.094 -0.410 0.000 1.045 578 V CA -0.214 61.970 62.300 -0.192 0.000 0.938 578 V CB 1.443 33.184 31.823 -0.136 0.000 0.986 578 V HN 0.709 nan 8.190 nan 0.000 0.467 579 S N 2.779 118.042 115.700 -0.729 0.000 2.715 579 S HA 0.811 5.269 4.470 -0.021 0.000 0.307 579 S C -1.416 172.532 174.600 -1.087 0.000 1.119 579 S CA -0.498 57.212 58.200 -0.817 0.000 0.937 579 S CB 1.567 64.227 63.200 -0.901 0.000 1.150 579 S HN 0.526 nan 8.310 nan 0.000 0.521 580 Y N 0.162 120.325 120.300 -0.227 0.000 2.462 580 Y HA 0.530 5.067 4.550 -0.021 0.000 0.346 580 Y C -0.023 175.999 175.900 0.203 0.000 0.976 580 Y CA -0.857 57.227 58.100 -0.027 0.000 1.044 580 Y CB 0.814 39.257 38.460 -0.028 0.000 1.230 580 Y HN 0.426 nan 8.280 nan 0.000 0.455 581 I N 3.784 124.576 120.570 0.370 0.000 2.471 581 I HA 0.081 4.238 4.170 -0.021 0.000 0.286 581 I C -0.448 175.755 176.117 0.143 0.000 1.079 581 I CA -0.002 61.464 61.300 0.276 0.000 1.398 581 I CB 0.356 38.375 38.000 0.032 0.000 1.403 581 I HN 0.540 nan 8.210 nan 0.000 0.530 582 D N 4.512 125.007 120.400 0.158 0.000 2.225 582 D HA 0.381 5.008 4.640 -0.021 0.000 0.249 582 D C 0.943 177.274 176.300 0.051 0.000 1.052 582 D CA 0.357 54.413 54.000 0.093 0.000 0.909 582 D CB 1.832 42.703 40.800 0.117 0.000 1.186 582 D HN 0.845 nan 8.370 nan 0.000 0.431 583 G N 0.802 109.610 108.800 0.013 0.000 2.175 583 G HA2 -0.212 3.735 3.960 -0.021 0.000 0.244 583 G HA3 -0.212 3.735 3.960 -0.021 0.000 0.244 583 G C 0.162 175.056 174.900 -0.009 0.000 0.982 583 G CA -0.218 44.886 45.100 0.007 0.000 0.641 583 G HN 0.464 nan 8.290 nan 0.000 0.527 584 I N 0.432 120.964 120.570 -0.065 0.000 2.582 584 I HA 0.450 4.607 4.170 -0.021 0.000 0.292 584 I C -0.109 175.942 176.117 -0.111 0.000 1.066 584 I CA -0.794 60.449 61.300 -0.095 0.000 1.053 584 I CB 2.081 39.976 38.000 -0.175 0.000 1.241 584 I HN 0.022 nan 8.210 nan 0.000 0.421 585 Q N 5.193 124.922 119.800 -0.118 0.000 2.312 585 Q HA 0.535 4.863 4.340 -0.021 0.000 0.263 585 Q C -1.135 174.769 176.000 -0.160 0.000 0.995 585 Q CA -0.728 54.995 55.803 -0.133 0.000 0.853 585 Q CB 2.838 31.502 28.738 -0.124 0.000 1.300 585 Q HN 0.521 nan 8.270 nan 0.000 0.448 586 Q N 0.296 119.980 119.800 -0.194 0.000 2.495 586 Q HA 0.418 4.746 4.340 -0.021 0.000 0.283 586 Q C -0.324 175.483 176.000 -0.321 0.000 1.097 586 Q CA -0.719 54.933 55.803 -0.252 0.000 0.836 586 Q CB 1.996 30.573 28.738 -0.269 0.000 1.426 586 Q HN 0.749 nan 8.270 nan 0.000 0.459 587 T N -2.005 112.263 114.554 -0.477 0.000 2.766 587 T HA 0.020 4.358 4.350 -0.021 0.000 0.295 587 T C 1.372 175.698 174.700 -0.624 0.000 1.024 587 T CA 0.077 61.795 62.100 -0.637 0.000 1.018 587 T CB 0.629 68.777 68.868 -1.200 0.000 1.002 587 T HN 0.725 nan 8.240 nan 0.000 0.532 588 S N 0.626 116.025 115.700 -0.501 0.000 2.399 588 S HA -0.196 4.261 4.470 -0.021 0.000 0.231 588 S C 1.853 176.245 174.600 -0.346 0.000 1.022 588 S CA 1.260 59.264 58.200 -0.326 0.000 0.983 588 S CB -1.194 61.912 63.200 -0.156 0.000 0.803 588 S HN 0.937 nan 8.310 nan 0.000 0.480 589 Y N 1.161 121.227 120.300 -0.390 0.000 2.490 589 Y HA 0.520 5.059 4.550 -0.020 0.000 0.285 589 Y C 1.293 176.909 175.900 -0.474 0.000 1.117 589 Y CA -0.680 57.112 58.100 -0.513 0.000 1.262 589 Y CB -1.065 36.796 38.460 -0.999 0.000 1.043 589 Y HN 0.479 nan 8.280 nan 0.000 0.553 590 G N 0.266 108.660 108.800 -0.676 0.000 2.795 590 G HA2 0.044 3.991 3.960 -0.021 0.000 0.664 590 G HA3 0.044 3.991 3.960 -0.021 0.000 0.664 590 G C -0.753 173.985 174.900 -0.270 0.000 1.381 590 G CA -0.348 44.495 45.100 -0.428 0.000 0.853 590 G HN 0.484 nan 8.290 nan 0.000 0.545 591 T N 0.645 115.077 114.554 -0.203 0.000 2.923 591 T HA 0.506 4.844 4.350 -0.021 0.000 0.311 591 T C 0.005 174.545 174.700 -0.266 0.000 1.183 591 T CA -0.385 61.633 62.100 -0.136 0.000 1.020 591 T CB 1.899 70.731 68.868 -0.060 0.000 1.165 591 T HN 0.882 nan 8.240 nan 0.000 0.482 592 Q N 1.822 121.277 119.800 -0.576 0.000 2.333 592 Q HA 0.185 4.513 4.340 -0.021 0.000 0.299 592 Q C -1.005 174.824 176.000 -0.285 0.000 1.067 592 Q CA 0.465 55.916 55.803 -0.586 0.000 0.943 592 Q CB 0.454 28.452 28.738 -1.234 0.000 1.233 592 Q HN 0.522 nan 8.270 nan 0.000 0.401 593 V N 2.870 122.704 119.914 -0.133 0.000 2.715 593 V HA 0.460 4.567 4.120 -0.021 0.000 0.310 593 V C -0.282 175.827 176.094 0.026 0.000 1.054 593 V CA -0.624 61.651 62.300 -0.042 0.000 0.928 593 V CB 2.020 33.827 31.823 -0.026 0.000 1.007 593 V HN 0.931 nan 8.190 nan 0.000 0.437 594 S N 1.925 117.657 115.700 0.053 0.000 2.568 594 S HA 0.975 5.432 4.470 -0.021 0.000 0.302 594 S C -0.505 174.147 174.600 0.087 0.000 1.082 594 S CA -0.451 57.812 58.200 0.105 0.000 1.009 594 S CB 2.165 65.446 63.200 0.135 0.000 1.069 594 S HN 1.612 nan 8.310 nan 0.000 0.500 595 A N 1.532 124.434 122.820 0.136 0.000 2.513 595 A HA 0.746 5.053 4.320 -0.021 0.000 0.296 595 A C -0.731 176.958 177.584 0.175 0.000 1.052 595 A CA -0.936 51.182 52.037 0.135 0.000 0.714 595 A CB 0.778 19.916 19.000 0.230 0.000 1.279 595 A HN 1.474 nan 8.150 nan 0.000 0.397 596 I N -1.434 119.228 120.570 0.154 0.000 2.969 596 I HA 0.813 4.971 4.170 -0.021 0.000 0.307 596 I C -0.730 175.489 176.117 0.170 0.000 1.149 596 I CA -1.189 60.205 61.300 0.157 0.000 1.008 596 I CB 2.309 40.392 38.000 0.139 0.000 1.232 596 I HN 0.462 nan 8.210 nan 0.000 0.435 597 K N 3.289 123.782 120.400 0.155 0.000 2.268 597 K HA 0.314 4.621 4.320 -0.021 0.000 0.276 597 K C -1.244 175.451 176.600 0.158 0.000 1.080 597 K CA -0.381 55.993 56.287 0.146 0.000 0.910 597 K CB 0.291 32.856 32.500 0.108 0.000 1.163 597 K HN 0.543 nan 8.250 nan 0.000 0.465 598 Y N 2.883 123.202 120.300 0.032 0.000 2.411 598 Y HA 0.008 4.546 4.550 -0.020 0.000 0.333 598 Y C 1.401 177.303 175.900 0.003 0.000 1.186 598 Y CA 0.612 58.723 58.100 0.019 0.000 1.381 598 Y CB 1.066 39.528 38.460 0.004 0.000 1.273 598 Y HN 0.809 nan 8.280 nan 0.000 0.546 599 S N 2.304 117.692 115.700 -0.520 0.000 2.496 599 S HA 0.075 4.532 4.470 -0.021 0.000 0.224 599 S C 0.101 174.471 174.600 -0.384 0.000 0.996 599 S CA 0.099 58.089 58.200 -0.351 0.000 0.927 599 S CB -0.009 63.033 63.200 -0.263 0.000 0.774 599 S HN 0.657 nan 8.310 nan 0.000 0.524 600 Q N 0.894 120.332 119.800 -0.603 0.000 2.306 600 Q HA 0.525 4.852 4.340 -0.021 0.000 0.265 600 Q C -0.487 175.488 176.000 -0.042 0.000 1.022 600 Q CA -0.590 55.014 55.803 -0.332 0.000 0.853 600 Q CB 1.714 30.196 28.738 -0.425 0.000 1.327 600 Q HN 0.360 nan 8.270 nan 0.000 0.449 601 L N 1.863 123.068 121.223 -0.029 0.000 2.461 601 L HA 0.315 4.642 4.340 -0.021 0.000 0.272 601 L C 0.222 177.126 176.870 0.056 0.000 1.197 601 L CA 0.099 54.951 54.840 0.020 0.000 0.836 601 L CB 0.144 42.200 42.059 -0.004 0.000 1.105 601 L HN 0.408 nan 8.230 nan 0.000 0.477 602 I N 2.193 122.799 120.570 0.060 0.000 2.436 602 I HA 0.197 4.354 4.170 -0.021 0.000 0.289 602 I C -0.481 175.665 176.117 0.049 0.000 1.010 602 I CA -0.570 60.757 61.300 0.045 0.000 1.098 602 I CB 1.743 39.763 38.000 0.034 0.000 1.266 602 I HN 0.623 nan 8.210 nan 0.000 0.434 603 D N 5.037 125.464 120.400 0.045 0.000 2.737 603 D HA -0.207 4.421 4.640 -0.021 0.000 0.233 603 D C 1.163 177.478 176.300 0.025 0.000 1.155 603 D CA 1.675 55.704 54.000 0.049 0.000 0.667 603 D CB -1.086 39.767 40.800 0.088 0.000 1.060 603 D HN 1.158 nan 8.370 nan 0.000 0.427 604 G N -0.929 107.880 108.800 0.015 0.000 2.168 604 G HA2 -0.380 3.568 3.960 -0.021 0.000 0.263 604 G HA3 -0.380 3.568 3.960 -0.021 0.000 0.263 604 G C 0.295 175.195 174.900 -0.001 0.000 0.977 604 G CA 0.969 46.072 45.100 0.004 0.000 0.659 604 G HN 0.537 nan 8.290 nan 0.000 0.533 605 K N 0.195 120.597 120.400 0.004 0.000 2.340 605 K HA 0.491 4.799 4.320 -0.021 0.000 0.244 605 K C 0.062 176.663 176.600 0.001 0.000 0.973 605 K CA -0.892 55.391 56.287 -0.007 0.000 0.828 605 K CB 1.647 34.135 32.500 -0.019 0.000 1.226 605 K HN 0.246 nan 8.250 nan 0.000 0.437 606 E N 0.797 120.992 120.200 -0.009 0.000 2.392 606 E HA 0.248 4.585 4.350 -0.021 0.000 0.264 606 E C -0.792 175.809 176.600 0.002 0.000 1.024 606 E CA -0.184 56.218 56.400 0.003 0.000 0.903 606 E CB 1.164 30.860 29.700 -0.007 0.000 0.963 606 E HN 0.519 nan 8.360 nan 0.000 0.432 607 A N 2.141 124.988 122.820 0.045 0.000 2.414 607 A HA 0.561 4.869 4.320 -0.021 0.000 0.306 607 A C -0.462 177.165 177.584 0.072 0.000 1.054 607 A CA -0.767 51.295 52.037 0.042 0.000 0.724 607 A CB 1.323 20.373 19.000 0.084 0.000 1.267 607 A HN 0.384 nan 8.150 nan 0.000 0.418 608 V N -0.318 119.610 119.914 0.023 0.000 2.919 608 V HA 0.868 4.975 4.120 -0.021 0.000 0.316 608 V C -0.541 175.608 176.094 0.092 0.000 1.077 608 V CA -0.862 61.490 62.300 0.087 0.000 0.977 608 V CB 1.514 33.410 31.823 0.122 0.000 1.039 608 V HN 0.703 nan 8.190 nan 0.000 0.441 609 I N 2.926 123.556 120.570 0.099 0.000 2.498 609 I HA 0.510 4.667 4.170 -0.021 0.000 0.290 609 I C -1.287 174.845 176.117 0.026 0.000 1.032 609 I CA -0.591 60.745 61.300 0.060 0.000 1.073 609 I CB 1.969 39.968 38.000 -0.002 0.000 1.251 609 I HN 0.431 nan 8.210 nan 0.000 0.426 610 L N 4.838 126.034 121.223 -0.045 0.000 2.341 610 L HA 0.524 4.851 4.340 -0.021 0.000 0.278 610 L C -0.150 176.636 176.870 -0.139 0.000 1.005 610 L CA -0.026 54.700 54.840 -0.190 0.000 0.818 610 L CB 1.891 43.654 42.059 -0.494 0.000 1.259 610 L HN 0.577 nan 8.230 nan 0.000 0.418 611 S N 2.662 118.322 115.700 -0.066 0.000 2.478 611 S HA 0.874 5.331 4.470 -0.021 0.000 0.312 611 S C -0.670 173.951 174.600 0.036 0.000 1.094 611 S CA -0.194 58.011 58.200 0.007 0.000 1.081 611 S CB 0.986 64.257 63.200 0.118 0.000 1.007 611 S HN 0.802 nan 8.310 nan 0.000 0.475 612 T N 4.547 119.117 114.554 0.027 0.000 2.907 612 T HA 0.512 4.850 4.350 -0.021 0.000 0.344 612 T C -3.249 171.444 174.700 -0.011 0.000 1.675 612 T CA -1.091 61.031 62.100 0.037 0.000 1.076 612 T CB 1.577 70.387 68.868 -0.097 0.000 1.483 612 T HN 0.462 nan 8.240 nan 0.000 0.487 613 P HA 0.261 nan 4.420 nan 0.000 0.269 613 P C -0.967 176.275 177.300 -0.096 0.000 1.215 613 P CA -0.179 62.923 63.100 0.004 0.000 0.780 613 P CB 0.381 32.121 31.700 0.066 0.000 0.898 614 N N 0.840 119.468 118.700 -0.120 0.000 2.746 614 N HA 0.321 5.049 4.740 -0.021 0.000 0.250 614 N C -1.696 173.749 175.510 -0.108 0.000 1.146 614 N CA -0.255 52.725 53.050 -0.118 0.000 0.828 614 N CB 0.061 38.484 38.487 -0.107 0.000 1.158 614 N HN 0.305 nan 8.380 nan 0.000 0.519 615 S N 1.676 117.309 115.700 -0.112 0.000 2.542 615 S HA 0.306 4.763 4.470 -0.021 0.000 0.276 615 S C 0.355 174.875 174.600 -0.132 0.000 1.148 615 S CA -0.738 57.400 58.200 -0.102 0.000 0.886 615 S CB 0.728 63.884 63.200 -0.073 0.000 1.109 615 S HN 0.601 nan 8.310 nan 0.000 0.458 616 R N 1.712 122.141 120.500 -0.119 0.000 2.317 616 R HA 0.343 4.670 4.340 -0.021 0.000 0.208 616 R C 0.358 176.583 176.300 -0.124 0.000 0.914 616 R CA 0.463 56.478 56.100 -0.142 0.000 1.060 616 R CB -0.114 30.116 30.300 -0.117 0.000 1.015 616 R HN 0.330 nan 8.270 nan 0.000 0.498 617 S N -0.391 115.258 115.700 -0.084 0.000 2.559 617 S HA 0.381 4.838 4.470 -0.021 0.000 0.226 617 S C 0.336 174.939 174.600 0.004 0.000 1.000 617 S CA 0.062 58.242 58.200 -0.034 0.000 0.948 617 S CB 1.467 64.658 63.200 -0.016 0.000 0.870 617 S HN 0.665 nan 8.310 nan 0.000 0.497 618 G N 1.057 109.848 108.800 -0.015 0.000 2.317 618 G HA2 0.300 4.248 3.960 -0.021 0.000 0.293 618 G HA3 0.300 4.248 3.960 -0.021 0.000 0.293 618 G C -1.817 173.099 174.900 0.027 0.000 1.287 618 G CA -1.161 43.974 45.100 0.059 0.000 0.850 618 G HN 0.064 nan 8.290 nan 0.000 0.515 619 R N 1.221 121.775 120.500 0.090 0.000 2.891 619 R HA 0.366 4.694 4.340 -0.021 0.000 0.248 619 R C 0.218 176.572 176.300 0.089 0.000 1.439 619 R CA 0.032 56.179 56.100 0.079 0.000 1.288 619 R CB -0.030 30.331 30.300 0.103 0.000 1.212 619 R HN 0.626 nan 8.270 nan 0.000 0.605 620 K N -1.481 118.965 120.400 0.078 0.000 2.571 620 K HA 0.490 4.797 4.320 -0.021 0.000 0.289 620 K C -0.152 176.464 176.600 0.027 0.000 1.028 620 K CA -0.738 55.600 56.287 0.086 0.000 0.895 620 K CB 1.184 33.728 32.500 0.074 0.000 1.534 620 K HN 0.232 nan 8.250 nan 0.000 0.421 621 G N 0.033 108.829 108.800 -0.006 0.000 2.324 621 G HA2 -0.153 3.794 3.960 -0.021 0.000 0.292 621 G HA3 -0.153 3.794 3.960 -0.021 0.000 0.292 621 G C 0.384 175.147 174.900 -0.227 0.000 1.079 621 G CA -0.109 44.928 45.100 -0.105 0.000 1.026 621 G HN 0.968 nan 8.290 nan 0.000 0.506 622 G N -0.797 107.773 108.800 -0.383 0.000 2.353 622 G HA2 0.462 4.409 3.960 -0.021 0.000 0.239 622 G HA3 0.462 4.409 3.960 -0.021 0.000 0.239 622 G C 0.078 174.511 174.900 -0.779 0.000 1.295 622 G CA 0.201 44.653 45.100 -1.079 0.000 0.884 622 G HN 0.693 nan 8.290 nan 0.000 0.537 623 Q N 0.322 119.732 119.800 -0.651 0.000 2.416 623 Q HA 0.427 4.755 4.340 -0.021 0.000 0.281 623 Q C -0.827 175.030 176.000 -0.237 0.000 1.067 623 Q CA -0.831 54.763 55.803 -0.349 0.000 0.809 623 Q CB 2.711 31.342 28.738 -0.178 0.000 1.418 623 Q HN 0.427 nan 8.270 nan 0.000 0.411 624 L N 1.635 122.821 121.223 -0.061 0.000 2.295 624 L HA 0.603 4.931 4.340 -0.021 0.000 0.285 624 L C -0.686 176.148 176.870 -0.060 0.000 1.035 624 L CA -0.974 53.849 54.840 -0.029 0.000 0.806 624 L CB 1.433 43.515 42.059 0.037 0.000 1.214 624 L HN 0.283 nan 8.230 nan 0.000 0.426 625 V N 4.004 123.837 119.914 -0.135 0.000 2.409 625 V HA 0.349 4.457 4.120 -0.021 0.000 0.291 625 V C -0.002 176.117 176.094 0.041 0.000 1.020 625 V CA -0.684 61.493 62.300 -0.206 0.000 0.848 625 V CB 2.079 33.615 31.823 -0.479 0.000 0.990 625 V HN 0.418 nan 8.190 nan 0.000 0.430 626 V N 3.897 123.879 119.914 0.113 0.000 2.370 626 V HA 0.726 4.834 4.120 -0.021 0.000 0.279 626 V C 0.794 176.994 176.094 0.176 0.000 1.029 626 V CA -0.151 62.240 62.300 0.152 0.000 0.870 626 V CB 1.531 33.435 31.823 0.135 0.000 0.984 626 V HN 0.971 nan 8.190 nan 0.000 0.451 627 G N 5.123 113.926 108.800 0.006 0.000 2.417 627 G HA2 0.674 4.622 3.960 -0.021 0.000 0.320 627 G HA3 0.674 4.622 3.960 -0.021 0.000 0.320 627 G C -0.940 173.749 174.900 -0.352 0.000 1.204 627 G CA -0.629 44.160 45.100 -0.518 0.000 0.923 627 G HN 0.599 nan 8.290 nan 0.000 0.466 628 L N 2.514 123.549 121.223 -0.313 0.000 2.282 628 L HA 0.383 4.710 4.340 -0.021 0.000 0.288 628 L C -0.082 176.653 176.870 -0.224 0.000 1.033 628 L CA -1.059 53.671 54.840 -0.184 0.000 0.807 628 L CB 1.825 43.822 42.059 -0.103 0.000 1.209 628 L HN 0.123 nan 8.230 nan 0.000 0.423 629 V N 2.823 122.643 119.914 -0.157 0.000 2.498 629 V HA 0.115 4.223 4.120 -0.021 0.000 0.279 629 V C 0.466 176.501 176.094 -0.099 0.000 1.048 629 V CA -0.623 61.593 62.300 -0.141 0.000 0.967 629 V CB 1.308 33.076 31.823 -0.091 0.000 0.988 629 V HN 0.700 nan 8.190 nan 0.000 0.473 630 N N 3.805 122.446 118.700 -0.098 0.000 2.420 630 N HA 0.082 4.810 4.740 -0.021 0.000 0.262 630 N C 0.728 176.209 175.510 -0.048 0.000 1.144 630 N CA -0.184 52.826 53.050 -0.066 0.000 0.952 630 N CB 1.185 39.635 38.487 -0.060 0.000 1.081 630 N HN 0.541 nan 8.380 nan 0.000 0.480 631 K N 2.727 123.105 120.400 -0.038 0.000 2.442 631 K HA -0.024 4.283 4.320 -0.021 0.000 0.198 631 K C 0.944 177.530 176.600 -0.025 0.000 1.042 631 K CA 1.117 57.386 56.287 -0.030 0.000 0.958 631 K CB 0.305 32.790 32.500 -0.025 0.000 0.766 631 K HN 0.631 nan 8.250 nan 0.000 0.474 632 E N -0.357 119.829 120.200 -0.023 0.000 2.166 632 E HA -0.063 4.274 4.350 -0.021 0.000 0.192 632 E C 0.473 177.064 176.600 -0.015 0.000 0.967 632 E CA 1.175 57.564 56.400 -0.018 0.000 0.840 632 E CB 0.296 29.987 29.700 -0.015 0.000 0.795 632 E HN 0.390 nan 8.360 nan 0.000 0.470 633 D N -1.271 119.119 120.400 -0.016 0.000 2.539 633 D HA -0.004 4.624 4.640 -0.021 0.000 0.232 633 D C -0.289 176.005 176.300 -0.010 0.000 1.256 633 D CA -0.009 53.986 54.000 -0.008 0.000 0.810 633 D CB 0.146 40.945 40.800 -0.000 0.000 1.090 633 D HN -0.154 nan 8.370 nan 0.000 0.519 634 D N 0.273 120.658 120.400 -0.024 0.000 3.077 634 D HA -0.184 4.443 4.640 -0.021 0.000 0.217 634 D C 0.038 176.310 176.300 -0.047 0.000 1.162 634 D CA 1.322 55.303 54.000 -0.032 0.000 0.943 634 D CB -1.886 38.903 40.800 -0.019 0.000 1.122 634 D HN 0.553 nan 8.370 nan 0.000 0.413 635 S N -0.188 115.484 115.700 -0.046 0.000 2.589 635 S HA 0.504 4.962 4.470 -0.021 0.000 0.265 635 S C 0.447 174.952 174.600 -0.158 0.000 1.342 635 S CA -0.468 57.693 58.200 -0.066 0.000 1.005 635 S CB 1.690 64.874 63.200 -0.026 0.000 0.909 635 S HN 0.267 nan 8.310 nan 0.000 0.555 636 I N 1.102 121.519 120.570 -0.255 0.000 2.465 636 I HA 0.300 4.457 4.170 -0.021 0.000 0.291 636 I C -0.959 174.814 176.117 -0.574 0.000 1.014 636 I CA -0.662 60.328 61.300 -0.516 0.000 1.093 636 I CB 1.976 39.473 38.000 -0.840 0.000 1.267 636 I HN 0.654 nan 8.210 nan 0.000 0.431 637 D N 6.078 126.182 120.400 -0.493 0.000 2.396 637 D HA 0.188 4.815 4.640 -0.021 0.000 0.225 637 D C -1.056 175.006 176.300 -0.398 0.000 1.121 637 D CA -0.280 53.524 54.000 -0.327 0.000 0.853 637 D CB 0.480 41.165 40.800 -0.192 0.000 1.043 637 D HN 0.228 nan 8.370 nan 0.000 0.500 638 W N 4.809 126.073 121.300 -0.059 0.000 2.081 638 W HA 0.250 4.896 4.660 -0.023 0.000 0.433 638 W C 1.685 178.145 176.519 -0.099 0.000 0.876 638 W CA -0.681 56.609 57.345 -0.092 0.000 1.631 638 W CB 0.600 30.011 29.460 -0.081 0.000 1.757 638 W HN 0.437 nan 8.180 nan 0.000 0.298 639 K N 1.146 121.522 120.400 -0.039 0.000 2.186 639 K HA -0.011 4.296 4.320 -0.021 0.000 0.202 639 K C -0.402 175.944 176.600 -0.425 0.000 1.052 639 K CA 0.836 56.948 56.287 -0.292 0.000 0.965 639 K CB 0.213 32.396 32.500 -0.528 0.000 0.746 639 K HN 0.224 nan 8.250 nan 0.000 0.457 640 Y N -0.028 120.317 120.300 0.074 0.000 2.425 640 Y HA 0.346 4.884 4.550 -0.021 0.000 0.344 640 Y C -0.599 175.304 175.900 0.005 0.000 0.969 640 Y CA -1.062 57.083 58.100 0.075 0.000 1.052 640 Y CB 1.631 40.104 38.460 0.022 0.000 1.215 640 Y HN -0.044 nan 8.280 nan 0.000 0.451 641 H N 2.667 121.844 119.070 0.179 0.000 2.539 641 H HA 0.184 4.732 4.556 -0.013 0.000 0.332 641 H C -1.676 173.717 175.328 0.108 0.000 1.031 641 H CA -0.769 55.332 56.048 0.089 0.000 1.206 641 H CB 2.130 31.895 29.762 0.007 0.000 1.446 641 H HN 0.737 nan 8.280 nan 0.000 0.496 642 Y N 3.405 123.722 120.300 0.029 0.000 2.328 642 Y HA 0.161 4.700 4.550 -0.019 0.000 0.337 642 Y C -0.708 175.155 175.900 -0.063 0.000 0.966 642 Y CA -0.984 57.104 58.100 -0.020 0.000 1.136 642 Y CB 0.786 39.210 38.460 -0.060 0.000 1.170 642 Y HN 0.471 nan 8.280 nan 0.000 0.470 643 D N 7.081 127.058 120.400 -0.705 0.000 2.339 643 D HA 0.096 4.723 4.640 -0.021 0.000 0.256 643 D C 1.349 177.079 176.300 -0.951 0.000 1.214 643 D CA 0.173 53.785 54.000 -0.646 0.000 0.877 643 D CB 1.107 41.664 40.800 -0.405 0.000 1.111 643 D HN 0.606 nan 8.370 nan 0.000 0.478 644 I N 1.050 121.272 120.570 -0.580 0.000 2.226 644 I HA -0.158 3.999 4.170 -0.021 0.000 0.245 644 I C 1.003 177.085 176.117 -0.059 0.000 1.100 644 I CA 1.657 62.800 61.300 -0.261 0.000 1.374 644 I CB -0.158 37.622 38.000 -0.367 0.000 1.057 644 I HN 0.425 nan 8.210 nan 0.000 0.413 645 D N -1.766 118.536 120.400 -0.164 0.000 3.103 645 D HA 0.299 4.926 4.640 -0.021 0.000 0.337 645 D C -0.644 175.551 176.300 -0.176 0.000 1.356 645 D CA -0.582 53.367 54.000 -0.085 0.000 0.951 645 D CB 0.641 41.367 40.800 -0.124 0.000 1.438 645 D HN -0.219 nan 8.370 nan 0.000 0.562 646 L N 1.542 122.616 121.223 -0.248 0.000 2.483 646 L HA 0.165 4.492 4.340 -0.021 0.000 0.276 646 L C -1.238 175.530 176.870 -0.169 0.000 1.213 646 L CA -1.108 53.560 54.840 -0.286 0.000 0.843 646 L CB 0.022 41.739 42.059 -0.570 0.000 1.107 646 L HN 0.349 nan 8.230 nan 0.000 0.487 647 P HA -0.168 nan 4.420 nan 0.000 0.218 647 P C 1.313 178.602 177.300 -0.019 0.000 1.146 647 P CA 1.293 64.343 63.100 -0.084 0.000 0.813 647 P CB 0.142 31.794 31.700 -0.080 0.000 0.778 648 S N -4.088 111.620 115.700 0.014 0.000 2.558 648 S HA 0.024 4.481 4.470 -0.021 0.000 0.217 648 S C 0.542 175.318 174.600 0.294 0.000 0.975 648 S CA -0.119 58.156 58.200 0.125 0.000 0.912 648 S CB -0.732 62.551 63.200 0.139 0.000 0.776 648 S HN -0.059 nan 8.310 nan 0.000 0.526 649 Y N 2.512 122.803 120.300 -0.016 0.000 2.320 649 Y HA 0.663 5.201 4.550 -0.019 0.000 0.324 649 Y C 1.245 177.149 175.900 0.008 0.000 1.190 649 Y CA -1.591 56.497 58.100 -0.020 0.000 1.215 649 Y CB 0.217 38.632 38.460 -0.075 0.000 1.221 649 Y HN 0.196 nan 8.280 nan 0.000 0.486 650 G N 1.370 110.249 108.800 0.131 0.000 2.491 650 G HA2 0.242 4.190 3.960 -0.021 0.000 0.242 650 G HA3 0.242 4.190 3.960 -0.021 0.000 0.242 650 G C -1.874 173.166 174.900 0.233 0.000 1.266 650 G CA 0.055 45.236 45.100 0.134 0.000 0.844 650 G HN 0.596 nan 8.290 nan 0.000 0.571 651 Y N 1.099 121.435 120.300 0.061 0.000 2.299 651 Y HA 0.496 5.035 4.550 -0.018 0.000 0.318 651 Y C 0.078 176.028 175.900 0.083 0.000 1.205 651 Y CA -0.134 58.029 58.100 0.105 0.000 1.106 651 Y CB 1.048 39.516 38.460 0.012 0.000 1.246 651 Y HN 0.850 nan 8.280 nan 0.000 0.415 652 A N 3.410 126.197 122.820 -0.055 0.000 3.191 652 A HA 0.519 4.826 4.320 -0.021 0.000 0.191 652 A C -1.294 176.357 177.584 0.112 0.000 1.221 652 A CA -0.220 51.857 52.037 0.067 0.000 1.399 652 A CB -0.128 18.869 19.000 -0.004 0.000 1.688 652 A HN 0.542 nan 8.150 nan 0.000 0.593 653 Y N 1.432 121.699 120.300 -0.055 0.000 2.550 653 Y HA 0.408 4.945 4.550 -0.021 0.000 0.343 653 Y C 1.115 177.000 175.900 -0.024 0.000 1.245 653 Y CA 0.188 58.287 58.100 -0.001 0.000 1.462 653 Y CB 0.443 38.929 38.460 0.044 0.000 1.340 653 Y HN 0.647 nan 8.280 nan 0.000 0.604 654 S N 0.325 116.119 115.700 0.157 0.000 2.579 654 S HA 0.945 5.402 4.470 -0.021 0.000 0.272 654 S C -1.337 173.382 174.600 0.199 0.000 1.141 654 S CA -0.720 57.576 58.200 0.160 0.000 0.843 654 S CB 1.864 65.148 63.200 0.141 0.000 1.122 654 S HN 0.951 nan 8.310 nan 0.000 0.468 655 A N 1.437 124.401 122.820 0.240 0.000 2.393 655 A HA 0.864 5.171 4.320 -0.021 0.000 0.306 655 A C -0.544 177.192 177.584 0.254 0.000 1.050 655 A CA -0.961 51.222 52.037 0.243 0.000 0.724 655 A CB 0.748 19.906 19.000 0.263 0.000 1.248 655 A HN 1.571 nan 8.150 nan 0.000 0.424 656 I N -1.158 119.546 120.570 0.223 0.000 2.730 656 I HA 0.921 5.078 4.170 -0.021 0.000 0.298 656 I C -0.584 175.654 176.117 0.202 0.000 1.089 656 I CA -0.555 60.870 61.300 0.209 0.000 1.041 656 I CB 2.454 40.550 38.000 0.160 0.000 1.235 656 I HN 0.508 nan 8.210 nan 0.000 0.423 657 T N 2.182 116.865 114.554 0.215 0.000 2.932 657 T HA 0.220 4.557 4.350 -0.021 0.000 0.318 657 T C -1.451 173.374 174.700 0.208 0.000 1.265 657 T CA -0.487 61.726 62.100 0.188 0.000 1.036 657 T CB 1.953 70.942 68.868 0.200 0.000 1.209 657 T HN 0.864 nan 8.240 nan 0.000 0.484 658 E N 4.118 124.432 120.200 0.190 0.000 2.180 658 E HA 0.363 4.700 4.350 -0.021 0.000 0.283 658 E C -0.229 176.483 176.600 0.186 0.000 1.061 658 E CA -0.381 56.162 56.400 0.239 0.000 0.861 658 E CB 0.343 30.189 29.700 0.243 0.000 1.056 658 E HN 0.486 nan 8.360 nan 0.000 0.407 659 L N 5.961 127.310 121.223 0.210 0.000 2.464 659 L HA 0.141 4.468 4.340 -0.021 0.000 0.264 659 L C -1.502 175.403 176.870 0.058 0.000 1.199 659 L CA -1.613 53.315 54.840 0.145 0.000 0.818 659 L CB 0.224 42.380 42.059 0.161 0.000 1.102 659 L HN 0.536 nan 8.230 nan 0.000 0.473 660 P HA -0.146 nan 4.420 nan 0.000 0.219 660 P C 0.483 177.645 177.300 -0.231 0.000 1.146 660 P CA 1.110 64.154 63.100 -0.094 0.000 0.808 660 P CB -0.052 31.601 31.700 -0.078 0.000 0.779 661 N N -1.964 116.630 118.700 -0.176 0.000 2.370 661 N HA -0.098 4.629 4.740 -0.021 0.000 0.198 661 N C 0.129 175.611 175.510 -0.046 0.000 1.156 661 N CA 0.002 52.932 53.050 -0.200 0.000 0.839 661 N CB -1.180 37.208 38.487 -0.164 0.000 0.989 661 N HN 0.185 nan 8.380 nan 0.000 0.468 662 H N -2.288 116.879 119.070 0.161 0.000 3.641 662 H HA -0.186 4.358 4.556 -0.021 0.000 0.193 662 H C -0.356 175.184 175.328 0.353 0.000 1.013 662 H CA 0.969 57.147 56.048 0.217 0.000 1.212 662 H CB -2.455 27.399 29.762 0.154 0.000 1.089 662 H HN 0.606 nan 8.280 nan 0.000 0.339 663 H N 0.408 119.600 119.070 0.204 0.000 2.660 663 H HA 0.237 4.781 4.556 -0.020 0.000 0.374 663 H C 1.050 176.483 175.328 0.176 0.000 1.291 663 H CA -0.256 55.884 56.048 0.154 0.000 1.437 663 H CB 1.025 30.854 29.762 0.111 0.000 1.509 663 H HN -0.030 nan 8.280 nan 0.000 0.614 664 I N 1.333 122.037 120.570 0.223 0.000 2.378 664 I HA 0.166 4.324 4.170 -0.021 0.000 0.291 664 I C 0.827 177.044 176.117 0.168 0.000 0.992 664 I CA -0.167 61.234 61.300 0.169 0.000 1.154 664 I CB 1.126 39.153 38.000 0.045 0.000 1.315 664 I HN 0.581 nan 8.210 nan 0.000 0.448 665 G N 5.701 114.640 108.800 0.230 0.000 2.348 665 G HA2 0.564 4.511 3.960 -0.021 0.000 0.312 665 G HA3 0.564 4.511 3.960 -0.021 0.000 0.312 665 G C -0.773 174.234 174.900 0.178 0.000 1.126 665 G CA -0.261 44.968 45.100 0.215 0.000 0.865 665 G HN 0.344 nan 8.290 nan 0.000 0.474 666 V N 3.000 122.922 119.914 0.014 0.000 2.483 666 V HA 0.454 4.561 4.120 -0.021 0.000 0.297 666 V C -0.660 175.633 176.094 0.331 0.000 1.027 666 V CA -0.820 61.607 62.300 0.213 0.000 0.855 666 V CB 1.477 33.435 31.823 0.224 0.000 0.995 666 V HN 0.663 nan 8.190 nan 0.000 0.424 667 L N 7.383 128.863 121.223 0.429 0.000 2.319 667 L HA 0.872 5.200 4.340 -0.021 0.000 0.281 667 L C -0.905 176.182 176.870 0.361 0.000 1.005 667 L CA -0.123 54.951 54.840 0.390 0.000 0.828 667 L CB 1.009 43.258 42.059 0.316 0.000 1.227 667 L HN 0.632 nan 8.230 nan 0.000 0.415 668 F N 1.015 121.016 119.950 0.085 0.000 2.631 668 F HA 0.595 5.111 4.527 -0.019 0.000 0.308 668 F C -0.660 175.108 175.800 -0.053 0.000 1.097 668 F CA -1.002 56.964 58.000 -0.058 0.000 0.952 668 F CB 1.170 40.011 39.000 -0.264 0.000 1.307 668 F HN 0.386 nan 8.300 nan 0.000 0.450 669 E N 2.114 122.327 120.200 0.022 0.000 2.104 669 E HA 0.065 4.403 4.350 -0.021 0.000 0.278 669 E C -0.497 176.165 176.600 0.104 0.000 1.127 669 E CA -0.208 56.234 56.400 0.071 0.000 0.897 669 E CB 0.799 30.575 29.700 0.127 0.000 1.043 669 E HN 0.482 nan 8.360 nan 0.000 0.410 670 K N 5.268 125.678 120.400 0.016 0.000 3.006 670 K HA 0.076 4.384 4.320 -0.021 0.000 0.262 670 K C -1.277 175.437 176.600 0.191 0.000 1.289 670 K CA -0.045 56.301 56.287 0.099 0.000 1.245 670 K CB -0.181 32.235 32.500 -0.140 0.000 1.614 670 K HN 0.494 nan 8.250 nan 0.000 0.322 671 Y N -2.801 117.494 120.300 -0.008 0.000 2.779 671 Y HA 0.250 4.787 4.550 -0.021 0.000 0.340 671 Y C -1.565 174.359 175.900 0.042 0.000 1.252 671 Y CA -1.553 56.542 58.100 -0.010 0.000 1.072 671 Y CB 0.776 39.212 38.460 -0.039 0.000 1.343 671 Y HN -0.093 nan 8.280 nan 0.000 0.450 672 D N 1.685 121.980 120.400 -0.175 0.000 2.422 672 D HA 0.154 4.781 4.640 -0.021 0.000 0.227 672 D C 0.615 176.606 176.300 -0.515 0.000 1.190 672 D CA 0.427 54.292 54.000 -0.225 0.000 0.905 672 D CB 1.170 41.969 40.800 -0.001 0.000 1.034 672 D HN 0.676 nan 8.370 nan 0.000 0.507 673 S N 2.997 118.249 115.700 -0.747 0.000 2.607 673 S HA -0.043 4.415 4.470 -0.021 0.000 0.224 673 S C 1.522 176.032 174.600 -0.150 0.000 0.969 673 S CA -0.532 57.264 58.200 -0.675 0.000 0.927 673 S CB -0.173 62.667 63.200 -0.601 0.000 0.772 673 S HN 0.667 nan 8.310 nan 0.000 0.533 674 W N 2.096 123.264 121.300 -0.220 0.000 2.588 674 W HA 0.345 4.993 4.660 -0.019 0.000 0.277 674 W C 0.659 177.063 176.519 -0.191 0.000 1.221 674 W CA 0.169 57.390 57.345 -0.207 0.000 1.355 674 W CB -0.211 29.105 29.460 -0.240 0.000 1.083 674 W HN 0.354 nan 8.180 nan 0.000 0.581 675 S N 2.139 117.863 115.700 0.040 0.000 2.546 675 S HA -0.005 4.453 4.470 -0.021 0.000 0.290 675 S C 1.121 175.658 174.600 -0.105 0.000 1.290 675 S CA -0.088 58.111 58.200 -0.001 0.000 1.069 675 S CB 0.681 63.907 63.200 0.042 0.000 0.846 675 S HN 0.119 nan 8.310 nan 0.000 0.495 676 R N 3.741 124.170 120.500 -0.118 0.000 2.323 676 R HA 0.072 4.399 4.340 -0.021 0.000 0.198 676 R C 1.406 177.656 176.300 -0.084 0.000 0.988 676 R CA 0.315 56.337 56.100 -0.130 0.000 1.041 676 R CB -1.072 29.156 30.300 -0.120 0.000 0.926 676 R HN 0.721 nan 8.270 nan 0.000 0.476 677 N N 1.004 119.678 118.700 -0.044 0.000 2.373 677 N HA -0.030 4.697 4.740 -0.021 0.000 0.181 677 N C -0.027 175.476 175.510 -0.013 0.000 1.082 677 N CA 0.297 53.335 53.050 -0.019 0.000 0.885 677 N CB 0.524 39.016 38.487 0.009 0.000 0.977 677 N HN 0.258 nan 8.380 nan 0.000 0.462 678 E N 0.677 120.870 120.200 -0.012 0.000 2.734 678 E HA 0.183 4.520 4.350 -0.021 0.000 0.211 678 E C -0.372 176.235 176.600 0.013 0.000 0.991 678 E CA -0.232 56.202 56.400 0.057 0.000 1.065 678 E CB 0.876 30.683 29.700 0.178 0.000 1.047 678 E HN 0.276 nan 8.360 nan 0.000 0.470 679 L N 1.667 122.765 121.223 -0.207 0.000 2.467 679 L HA 0.083 4.410 4.340 -0.021 0.000 0.270 679 L C 0.365 176.911 176.870 -0.539 0.000 1.205 679 L CA -0.131 54.367 54.840 -0.570 0.000 0.828 679 L CB -0.070 41.332 42.059 -1.095 0.000 1.101 679 L HN 0.356 nan 8.230 nan 0.000 0.479 680 H N 0.677 119.533 119.070 -0.357 0.000 2.748 680 H HA -0.133 4.411 4.556 -0.020 0.000 0.322 680 H C -0.875 174.401 175.328 -0.085 0.000 1.208 680 H CA 0.255 56.002 56.048 -0.502 0.000 1.151 680 H CB -1.969 27.486 29.762 -0.512 0.000 1.505 680 H HN 0.364 nan 8.280 nan 0.000 0.429 681 L N 0.257 121.462 121.223 -0.029 0.000 2.309 681 L HA 0.448 4.776 4.340 -0.021 0.000 0.282 681 L C 0.738 177.635 176.870 0.046 0.000 1.036 681 L CA -0.560 54.269 54.840 -0.017 0.000 0.806 681 L CB 1.833 43.742 42.059 -0.250 0.000 1.220 681 L HN 0.054 nan 8.230 nan 0.000 0.429 682 S N 1.383 117.104 115.700 0.036 0.000 2.578 682 S HA 0.277 4.734 4.470 -0.021 0.000 0.283 682 S C 0.135 174.716 174.600 -0.031 0.000 1.195 682 S CA -0.524 57.648 58.200 -0.046 0.000 1.050 682 S CB 0.991 64.131 63.200 -0.101 0.000 1.012 682 S HN 0.744 nan 8.310 nan 0.000 0.511 683 N N 0.197 118.902 118.700 0.009 0.000 2.740 683 N HA -0.130 4.597 4.740 -0.021 0.000 0.248 683 N C 0.449 175.914 175.510 -0.075 0.000 1.062 683 N CA 0.983 54.037 53.050 0.007 0.000 0.704 683 N CB -1.786 36.726 38.487 0.042 0.000 0.968 683 N HN 0.533 nan 8.380 nan 0.000 0.547 684 V N -4.816 115.026 119.914 -0.121 0.000 3.621 684 V HA 0.262 4.369 4.120 -0.021 0.000 0.263 684 V C 0.932 176.916 176.094 -0.183 0.000 1.272 684 V CA 0.075 62.262 62.300 -0.188 0.000 1.080 684 V CB 0.662 32.315 31.823 -0.284 0.000 0.816 684 V HN 0.011 nan 8.190 nan 0.000 0.451 685 V N 3.077 122.922 119.914 -0.115 0.000 2.405 685 V HA 0.365 4.472 4.120 -0.021 0.000 0.264 685 V C -0.060 175.914 176.094 -0.201 0.000 1.048 685 V CA 0.318 62.537 62.300 -0.134 0.000 0.966 685 V CB 0.174 31.993 31.823 -0.006 0.000 1.015 685 V HN 0.647 nan 8.190 nan 0.000 0.477 686 Q N 3.300 122.869 119.800 -0.386 0.000 2.451 686 Q HA 0.538 4.866 4.340 -0.021 0.000 0.281 686 Q C -1.575 174.361 176.000 -0.107 0.000 1.099 686 Q CA -0.863 54.785 55.803 -0.257 0.000 0.806 686 Q CB 3.226 31.736 28.738 -0.379 0.000 1.419 686 Q HN 0.713 nan 8.270 nan 0.000 0.427 687 Y N 2.391 122.709 120.300 0.030 0.000 2.377 687 Y HA 0.645 5.183 4.550 -0.020 0.000 0.339 687 Y C -0.972 175.106 175.900 0.296 0.000 1.011 687 Y CA -0.830 57.358 58.100 0.147 0.000 1.093 687 Y CB 0.909 39.359 38.460 -0.018 0.000 1.201 687 Y HN 0.590 nan 8.280 nan 0.000 0.455 688 I N 2.500 122.913 120.570 -0.260 0.000 2.934 688 I HA 0.553 4.710 4.170 -0.021 0.000 0.306 688 I C -1.601 174.295 176.117 -0.368 0.000 1.110 688 I CA -0.979 60.246 61.300 -0.124 0.000 1.019 688 I CB 2.470 40.625 38.000 0.258 0.000 1.227 688 I HN 0.522 nan 8.210 nan 0.000 0.434 689 D N 5.105 125.483 120.400 -0.037 0.000 2.308 689 D HA 0.602 5.229 4.640 -0.021 0.000 0.242 689 D C -1.414 174.960 176.300 0.123 0.000 1.059 689 D CA -0.268 53.782 54.000 0.082 0.000 0.830 689 D CB 2.045 42.978 40.800 0.223 0.000 1.161 689 D HN 0.575 nan 8.370 nan 0.000 0.494 690 L N 2.239 123.496 121.223 0.056 0.000 2.354 690 L HA 0.473 4.801 4.340 -0.021 0.000 0.264 690 L C 0.152 176.914 176.870 -0.180 0.000 1.008 690 L CA -0.900 53.884 54.840 -0.093 0.000 0.819 690 L CB 2.407 44.349 42.059 -0.194 0.000 1.339 690 L HN 0.296 nan 8.230 nan 0.000 0.420 691 E N 1.051 121.063 120.200 -0.312 0.000 2.222 691 E HA 0.319 4.657 4.350 -0.021 0.000 0.267 691 E C 0.465 176.873 176.600 -0.321 0.000 0.963 691 E CA -0.900 55.267 56.400 -0.388 0.000 0.837 691 E CB 2.197 31.628 29.700 -0.449 0.000 1.183 691 E HN 0.412 nan 8.360 nan 0.000 0.403 692 I N 1.735 122.138 120.570 -0.278 0.000 2.208 692 I HA -0.271 3.886 4.170 -0.021 0.000 0.245 692 I C 2.031 177.962 176.117 -0.309 0.000 1.097 692 I CA 1.458 62.565 61.300 -0.320 0.000 1.363 692 I CB -1.067 36.755 38.000 -0.296 0.000 1.051 692 I HN 0.628 nan 8.210 nan 0.000 0.413 693 N N 1.505 120.057 118.700 -0.245 0.000 2.137 693 N HA -0.226 4.501 4.740 -0.021 0.000 0.190 693 N C 1.365 176.734 175.510 -0.235 0.000 1.017 693 N CA 1.731 54.651 53.050 -0.216 0.000 0.859 693 N CB -0.108 38.286 38.487 -0.156 0.000 1.002 693 N HN 0.294 nan 8.380 nan 0.000 0.428 694 D N -0.196 120.036 120.400 -0.280 0.000 2.178 694 D HA -0.104 4.523 4.640 -0.021 0.000 0.201 694 D C 1.818 177.886 176.300 -0.386 0.000 0.980 694 D CA 0.714 54.524 54.000 -0.317 0.000 0.842 694 D CB -0.075 40.469 40.800 -0.426 0.000 0.948 694 D HN 0.420 nan 8.370 nan 0.000 0.472 695 L N 0.461 121.419 121.223 -0.441 0.000 2.240 695 L HA -0.024 4.303 4.340 -0.021 0.000 0.211 695 L C 2.211 178.954 176.870 -0.211 0.000 1.106 695 L CA 1.271 55.898 54.840 -0.355 0.000 0.793 695 L CB -0.449 41.399 42.059 -0.351 0.000 0.927 695 L HN 0.077 nan 8.230 nan 0.000 0.446 696 T N -4.319 110.010 114.554 -0.376 0.000 3.069 696 T HA 0.138 4.476 4.350 -0.021 0.000 0.252 696 T C 0.869 175.420 174.700 -0.248 0.000 1.053 696 T CA -0.370 61.331 62.100 -0.666 0.000 0.964 696 T CB 0.254 68.502 68.868 -1.034 0.000 1.005 696 T HN 0.050 nan 8.240 nan 0.000 0.532 697 K N 0.000 120.336 120.400 -0.107 0.000 2.780 697 K HA 0.000 4.307 4.320 -0.021 0.000 0.191 697 K CA 0.000 56.275 56.287 -0.020 0.000 0.838 697 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 697 K HN 0.000 nan 8.250 nan 0.000 0.543