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 2wo0_1_A DATA FIRST_RESID 7 DATA SEQUENCE MVPMDKTLKE FGADVQWDDY AQLFTLIKDG AYVKVKPGAQ TAIVNGQPLA DATA SEQUENCE LQVPVVMKDN KAWVSDTFIN DVFQSGLDQT FQVEKRPHPL NALTADEIKQ DATA SEQUENCE AVEIVKASAD FKPNTRFTEI SLLPPDKEAV WAFALENKPV DQPRKADVIM DATA SEQUENCE LDGKHIIEAV VDLQNNKLLS WQPIKDAHGM VLLDDFASVQ NIINNSEEFA DATA SEQUENCE AAVKKRGITD AKKVITTPLT VGYFDGKDGL KQDARLLKVI SYLDVGDGNY DATA SEQUENCE WAHPIENLVA VVDLEQKKIV KIEEGPVVPV PMTARPFDGR DRVAPAVKPM DATA SEQUENCE QIIEPEGKNY TITGDMIHWR NWDFHLSMNS RVGPMISTVT YNDNGTKRKV DATA SEQUENCE MYEGSLGGMI VPYGDPDIGW YFKAYLDSGD YGMGTLTSPI ARGKDAPSNA DATA SEQUENCE VLLNETIADY TGVPMEIPRA IAVFERYAGP EYKHQEMGQP NVSTERRELV DATA SEQUENCE VRWISTVGNX DYIFDWIFHE NGTIGIDAGA TGIEAVKGVK AKTMHDETAK DATA SEQUENCE DDTRYGTLID HNIVGTTHQH IYNFRLDLDV DGENNSLVAM DPVVKPNTAG DATA SEQUENCE GPRTSTMQVN QYNIGNEQDA AQKFDPGTIR LLSNPNKENR MGNPVSYQII DATA SEQUENCE PYAGGTHPVA KGAQFAPDEW IYHRLSFMDK QLWVTRYHPG ERFPEGKYPN DATA SEQUENCE RSTHDTGLGQ YSKDNESLDN TDAVVWMTTG TTHVARAEEW PIMPTEWVHT DATA SEQUENCE LLKPWNFFDE TPTLGALKK 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.471 176.300 0.285 0.000 1.140 7 M CA 0.000 55.390 55.300 0.150 0.000 0.988 7 M CB 0.000 32.662 32.600 0.104 0.000 1.302 8 V N 3.525 123.632 119.914 0.321 0.000 3.007 8 V HA 0.840 4.960 4.120 -0.000 0.000 0.311 8 V C -2.350 173.687 176.094 -0.096 0.000 1.120 8 V CA -1.870 60.563 62.300 0.222 0.000 0.980 8 V CB 3.235 35.095 31.823 0.062 0.000 1.033 8 V HN 0.702 nan 8.190 nan 0.000 0.429 9 P HA 0.144 nan 4.420 nan 0.000 0.271 9 P C 0.568 177.508 177.300 -0.600 0.000 1.220 9 P CA 0.084 62.515 63.100 -1.116 0.000 0.768 9 P CB 0.860 31.969 31.700 -0.985 0.000 0.848 10 M N 2.593 121.827 119.600 -0.610 0.000 2.067 10 M HA -0.191 4.289 4.480 -0.000 0.000 0.260 10 M C 1.099 177.224 176.300 -0.291 0.000 1.069 10 M CA 2.211 57.252 55.300 -0.432 0.000 1.117 10 M CB -0.544 31.731 32.600 -0.541 0.000 1.334 10 M HN 0.307 nan 8.290 nan 0.000 0.407 11 D N -0.015 120.221 120.400 -0.274 0.000 2.104 11 D HA -0.220 4.420 4.640 -0.000 0.000 0.194 11 D C 1.948 178.179 176.300 -0.116 0.000 0.994 11 D CA 1.643 55.553 54.000 -0.150 0.000 0.830 11 D CB -0.026 40.708 40.800 -0.110 0.000 0.959 11 D HN 0.298 nan 8.370 nan 0.000 0.452 12 K N -0.218 120.090 120.400 -0.154 0.000 2.097 12 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 12 K C 1.663 178.220 176.600 -0.073 0.000 1.049 12 K CA 1.604 57.826 56.287 -0.108 0.000 0.933 12 K CB -0.030 32.392 32.500 -0.129 0.000 0.717 12 K HN 0.112 nan 8.250 nan 0.000 0.442 13 T N 2.130 116.629 114.554 -0.091 0.000 2.698 13 T HA -0.093 4.257 4.350 -0.000 0.000 0.260 13 T C 1.753 176.468 174.700 0.024 0.000 1.044 13 T CA 0.805 62.882 62.100 -0.039 0.000 1.149 13 T CB -0.200 68.634 68.868 -0.057 0.000 0.864 13 T HN 0.042 nan 8.240 nan 0.000 0.419 14 L N 1.387 122.627 121.223 0.028 0.000 2.051 14 L HA -0.105 4.235 4.340 -0.000 0.000 0.214 14 L C 2.292 179.213 176.870 0.086 0.000 1.076 14 L CA 1.817 56.718 54.840 0.102 0.000 0.758 14 L CB -0.998 41.118 42.059 0.095 0.000 0.890 14 L HN 0.319 nan 8.230 nan 0.000 0.433 15 K N -0.692 119.724 120.400 0.027 0.000 2.076 15 K HA -0.128 4.192 4.320 -0.000 0.000 0.204 15 K C 1.950 178.550 176.600 0.001 0.000 1.051 15 K CA 0.833 57.123 56.287 0.005 0.000 0.949 15 K CB -0.032 32.463 32.500 -0.008 0.000 0.726 15 K HN 0.282 nan 8.250 nan 0.000 0.443 16 E N 0.104 120.314 120.200 0.016 0.000 2.160 16 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 16 E C 1.542 178.175 176.600 0.056 0.000 0.991 16 E CA 1.038 57.452 56.400 0.023 0.000 0.810 16 E CB -0.079 29.635 29.700 0.024 0.000 0.742 16 E HN 0.204 nan 8.360 nan 0.000 0.466 17 F N -0.286 119.606 119.950 -0.096 0.000 2.502 17 F HA 0.088 4.615 4.527 -0.000 0.000 0.298 17 F C 1.458 177.171 175.800 -0.146 0.000 1.111 17 F CA 1.398 59.315 58.000 -0.138 0.000 1.445 17 F CB 0.329 39.206 39.000 -0.204 0.000 1.081 17 F HN 0.054 nan 8.300 nan 0.000 0.558 18 G N 0.089 108.720 108.800 -0.282 0.000 2.179 18 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.220 18 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.220 18 G C 0.398 175.114 174.900 -0.307 0.000 0.990 18 G CA 0.010 44.906 45.100 -0.341 0.000 0.646 18 G HN 0.801 nan 8.290 nan 0.000 0.517 19 A N -0.224 122.455 122.820 -0.235 0.000 2.304 19 A HA 0.637 4.957 4.320 -0.000 0.000 0.271 19 A C -0.002 177.585 177.584 0.005 0.000 1.091 19 A CA 0.558 52.548 52.037 -0.079 0.000 0.812 19 A CB 0.609 19.640 19.000 0.052 0.000 1.056 19 A HN 0.558 nan 8.150 nan 0.000 0.489 20 D N 0.360 120.787 120.400 0.045 0.000 2.280 20 D HA 0.461 5.101 4.640 -0.000 0.000 0.236 20 D C -0.900 175.457 176.300 0.096 0.000 1.082 20 D CA -0.105 53.927 54.000 0.054 0.000 0.834 20 D CB 1.134 41.959 40.800 0.042 0.000 1.100 20 D HN 0.202 nan 8.370 nan 0.000 0.486 21 V N 4.315 124.296 119.914 0.112 0.000 2.398 21 V HA 0.363 4.483 4.120 -0.000 0.000 0.286 21 V C -0.181 176.035 176.094 0.204 0.000 1.026 21 V CA -0.626 61.780 62.300 0.178 0.000 0.868 21 V CB 1.297 33.226 31.823 0.178 0.000 0.982 21 V HN 0.561 nan 8.190 nan 0.000 0.443 22 Q N 4.229 124.175 119.800 0.243 0.000 2.331 22 Q HA 0.375 4.715 4.340 -0.000 0.000 0.267 22 Q C -1.058 175.115 176.000 0.290 0.000 1.006 22 Q CA -0.251 55.676 55.803 0.208 0.000 0.818 22 Q CB 2.670 31.469 28.738 0.101 0.000 1.276 22 Q HN 0.864 nan 8.270 nan 0.000 0.450 23 W N 3.939 125.226 121.300 -0.022 0.000 2.433 23 W HA 0.368 5.028 4.660 0.000 0.000 0.315 23 W C -1.238 175.173 176.519 -0.181 0.000 1.087 23 W CA -0.479 56.693 57.345 -0.288 0.000 1.205 23 W CB 1.415 30.656 29.460 -0.364 0.000 1.288 23 W HN 0.607 nan 8.180 nan 0.000 0.504 24 D N 4.152 123.881 120.400 -1.119 0.000 2.471 24 D HA 0.067 4.707 4.640 -0.000 0.000 0.245 24 D C 0.178 175.711 176.300 -1.278 0.000 1.116 24 D CA -0.169 53.320 54.000 -0.852 0.000 0.853 24 D CB 1.470 42.001 40.800 -0.449 0.000 1.123 24 D HN 0.535 nan 8.370 nan 0.000 0.540 25 D N 2.243 122.118 120.400 -0.875 0.000 2.224 25 D HA -0.185 4.455 4.640 -0.000 0.000 0.205 25 D C 1.395 177.536 176.300 -0.264 0.000 0.965 25 D CA 0.705 54.384 54.000 -0.534 0.000 0.852 25 D CB 0.069 40.827 40.800 -0.072 0.000 0.947 25 D HN 0.466 nan 8.370 nan 0.000 0.494 26 Y N 0.552 120.670 120.300 -0.304 0.000 2.200 26 Y HA 0.022 4.572 4.550 -0.000 0.000 0.290 26 Y C 1.805 177.592 175.900 -0.189 0.000 1.137 26 Y CA 1.685 59.673 58.100 -0.186 0.000 1.163 26 Y CB -0.232 38.141 38.460 -0.145 0.000 0.988 26 Y HN 0.020 nan 8.280 nan 0.000 0.518 27 A N -0.943 121.685 122.820 -0.320 0.000 2.348 27 A HA 0.152 4.472 4.320 -0.000 0.000 0.224 27 A C 0.616 177.999 177.584 -0.335 0.000 1.227 27 A CA 0.257 52.091 52.037 -0.339 0.000 0.885 27 A CB -0.036 18.851 19.000 -0.189 0.000 0.933 27 A HN 0.421 nan 8.150 nan 0.000 0.506 28 Q N -1.701 117.816 119.800 -0.472 0.000 2.453 28 Q HA -0.210 4.130 4.340 -0.000 0.000 0.294 28 Q C -0.700 175.069 176.000 -0.386 0.000 1.295 28 Q CA 0.910 56.467 55.803 -0.410 0.000 0.853 28 Q CB -1.863 26.871 28.738 -0.007 0.000 1.193 28 Q HN 0.612 nan 8.270 nan 0.000 0.461 29 L N -0.310 120.483 121.223 -0.717 0.000 2.385 29 L HA 0.636 4.976 4.340 -0.000 0.000 0.273 29 L C -0.882 175.851 176.870 -0.228 0.000 0.990 29 L CA -0.513 54.175 54.840 -0.253 0.000 0.821 29 L CB 1.139 43.107 42.059 -0.151 0.000 1.279 29 L HN 0.002 nan 8.230 nan 0.000 0.412 30 F N 2.496 122.592 119.950 0.243 0.000 2.394 30 F HA 0.573 5.100 4.527 0.000 0.000 0.340 30 F C 0.557 176.429 175.800 0.121 0.000 1.105 30 F CA -0.062 58.107 58.000 0.282 0.000 1.124 30 F CB 1.857 41.045 39.000 0.314 0.000 1.145 30 F HN 0.386 nan 8.300 nan 0.000 0.505 31 T N 5.349 120.062 114.554 0.265 0.000 2.786 31 T HA 0.567 4.917 4.350 -0.000 0.000 0.283 31 T C -0.964 173.771 174.700 0.059 0.000 0.992 31 T CA -0.533 61.605 62.100 0.063 0.000 0.954 31 T CB 0.814 69.649 68.868 -0.056 0.000 0.934 31 T HN 0.058 nan 8.240 nan 0.000 0.440 32 L N 4.460 125.687 121.223 0.008 0.000 2.333 32 L HA 0.638 4.978 4.340 -0.000 0.000 0.280 32 L C -0.275 176.611 176.870 0.026 0.000 1.004 32 L CA -0.668 54.238 54.840 0.109 0.000 0.820 32 L CB 1.213 43.433 42.059 0.269 0.000 1.247 32 L HN 0.630 nan 8.230 nan 0.000 0.416 33 I N 3.168 123.786 120.570 0.080 0.000 2.545 33 I HA 0.537 4.707 4.170 -0.000 0.000 0.292 33 I C -0.354 175.863 176.117 0.166 0.000 1.040 33 I CA -0.776 60.570 61.300 0.077 0.000 1.068 33 I CB 2.445 40.447 38.000 0.004 0.000 1.251 33 I HN 0.497 nan 8.210 nan 0.000 0.424 34 K N 5.647 126.177 120.400 0.216 0.000 2.592 34 K HA 0.184 4.504 4.320 -0.000 0.000 0.265 34 K C -1.126 175.572 176.600 0.162 0.000 1.006 34 K CA -0.373 55.985 56.287 0.119 0.000 0.907 34 K CB 1.149 33.639 32.500 -0.017 0.000 1.309 34 K HN 0.771 nan 8.250 nan 0.000 0.452 35 D N 1.754 122.231 120.400 0.130 0.000 3.608 35 D HA -0.260 4.380 4.640 -0.000 0.000 0.152 35 D C 0.964 177.396 176.300 0.221 0.000 0.971 35 D CA 2.118 56.232 54.000 0.190 0.000 1.072 35 D CB -0.941 39.994 40.800 0.226 0.000 0.507 35 D HN 0.783 nan 8.370 nan 0.000 0.520 36 G N 0.346 109.299 108.800 0.255 0.000 2.744 36 G HA2 0.336 4.296 3.960 -0.000 0.000 0.211 36 G HA3 0.336 4.296 3.960 -0.000 0.000 0.211 36 G C 0.388 175.404 174.900 0.194 0.000 1.143 36 G CA 1.034 46.246 45.100 0.187 0.000 0.788 36 G HN 0.650 nan 8.290 nan 0.000 0.534 37 A N -0.022 122.950 122.820 0.253 0.000 2.289 37 A HA 0.628 4.948 4.320 -0.000 0.000 0.298 37 A C -1.525 176.202 177.584 0.238 0.000 1.208 37 A CA -0.608 51.568 52.037 0.231 0.000 0.845 37 A CB 0.588 19.768 19.000 0.301 0.000 1.125 37 A HN 0.270 nan 8.150 nan 0.000 0.517 38 Y N 3.097 123.430 120.300 0.056 0.000 2.426 38 Y HA 0.498 5.048 4.550 0.000 0.000 0.325 38 Y C -0.880 175.024 175.900 0.007 0.000 0.989 38 Y CA -0.539 57.594 58.100 0.055 0.000 1.284 38 Y CB 1.435 39.923 38.460 0.047 0.000 1.104 38 Y HN 0.453 nan 8.280 nan 0.000 0.481 39 V N 6.162 126.014 119.914 -0.103 0.000 2.435 39 V HA 0.473 4.593 4.120 -0.000 0.000 0.290 39 V C -0.632 175.454 176.094 -0.012 0.000 1.030 39 V CA -1.046 61.206 62.300 -0.079 0.000 0.881 39 V CB 1.699 33.393 31.823 -0.215 0.000 0.983 39 V HN 0.578 nan 8.190 nan 0.000 0.445 40 K N 3.039 123.480 120.400 0.068 0.000 2.358 40 K HA 0.778 5.098 4.320 -0.000 0.000 0.260 40 K C -1.456 175.225 176.600 0.136 0.000 0.956 40 K CA -0.534 55.822 56.287 0.115 0.000 0.834 40 K CB 2.316 34.897 32.500 0.136 0.000 1.102 40 K HN 0.456 nan 8.250 nan 0.000 0.431 41 V N 3.614 123.653 119.914 0.208 0.000 2.808 41 V HA 0.393 4.513 4.120 -0.000 0.000 0.308 41 V C -1.637 174.649 176.094 0.320 0.000 1.099 41 V CA -0.766 61.676 62.300 0.238 0.000 0.920 41 V CB 1.861 33.844 31.823 0.266 0.000 1.014 41 V HN 0.651 nan 8.190 nan 0.000 0.425 42 K N 6.390 126.940 120.400 0.250 0.000 2.138 42 K HA 0.566 4.886 4.320 -0.000 0.000 0.263 42 K C -2.743 174.017 176.600 0.267 0.000 0.965 42 K CA -1.850 54.603 56.287 0.276 0.000 0.868 42 K CB 1.571 34.170 32.500 0.166 0.000 1.083 42 K HN 0.418 nan 8.250 nan 0.000 0.443 43 P HA -0.080 nan 4.420 nan 0.000 0.264 43 P C 0.693 178.073 177.300 0.133 0.000 1.183 43 P CA 0.965 64.190 63.100 0.208 0.000 0.763 43 P CB 0.395 32.218 31.700 0.205 0.000 0.807 44 G N 1.692 110.547 108.800 0.093 0.000 2.189 44 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.267 44 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.267 44 G C 0.505 175.446 174.900 0.068 0.000 0.975 44 G CA 0.141 45.282 45.100 0.068 0.000 0.644 44 G HN 0.869 nan 8.290 nan 0.000 0.537 45 A N -0.472 122.399 122.820 0.085 0.000 2.386 45 A HA 0.673 4.993 4.320 -0.000 0.000 0.248 45 A C 1.102 178.727 177.584 0.068 0.000 1.082 45 A CA 0.934 53.016 52.037 0.076 0.000 0.789 45 A CB 0.390 19.444 19.000 0.089 0.000 1.025 45 A HN 0.450 nan 8.150 nan 0.000 0.490 46 Q N -0.514 119.319 119.800 0.055 0.000 2.424 46 Q HA 0.070 4.410 4.340 -0.000 0.000 0.204 46 Q C 0.420 176.451 176.000 0.052 0.000 0.933 46 Q CA 1.078 56.910 55.803 0.049 0.000 0.929 46 Q CB 0.252 29.012 28.738 0.036 0.000 1.037 46 Q HN 0.943 nan 8.270 nan 0.000 0.511 47 T N -3.547 111.040 114.554 0.056 0.000 2.887 47 T HA 0.839 5.189 4.350 -0.000 0.000 0.292 47 T C -0.801 173.939 174.700 0.066 0.000 1.087 47 T CA -0.713 61.417 62.100 0.051 0.000 1.009 47 T CB 2.178 71.068 68.868 0.035 0.000 1.203 47 T HN 0.023 nan 8.240 nan 0.000 0.518 48 A N 0.686 123.537 122.820 0.052 0.000 2.483 48 A HA 0.851 5.171 4.320 -0.000 0.000 0.286 48 A C -1.292 176.310 177.584 0.031 0.000 1.207 48 A CA -1.005 51.067 52.037 0.057 0.000 0.764 48 A CB 1.254 20.288 19.000 0.057 0.000 1.341 48 A HN 0.797 nan 8.150 nan 0.000 0.428 49 I N 0.938 121.528 120.570 0.034 0.000 2.433 49 I HA 0.499 4.669 4.170 -0.000 0.000 0.292 49 I C -0.951 175.171 176.117 0.008 0.000 1.001 49 I CA -0.550 60.768 61.300 0.030 0.000 1.119 49 I CB 1.312 39.349 38.000 0.061 0.000 1.289 49 I HN 0.266 nan 8.210 nan 0.000 0.438 50 V N 5.925 125.832 119.914 -0.011 0.000 2.443 50 V HA 0.346 4.466 4.120 -0.000 0.000 0.293 50 V C -0.128 175.974 176.094 0.013 0.000 1.021 50 V CA -0.876 61.404 62.300 -0.033 0.000 0.848 50 V CB 1.391 33.152 31.823 -0.103 0.000 0.998 50 V HN 0.808 nan 8.190 nan 0.000 0.424 51 N N 4.129 122.867 118.700 0.063 0.000 2.686 51 N HA -0.221 4.519 4.740 -0.000 0.000 0.261 51 N C 1.279 176.803 175.510 0.023 0.000 1.001 51 N CA 1.680 54.764 53.050 0.057 0.000 0.764 51 N CB -0.999 37.511 38.487 0.038 0.000 0.898 51 N HN 1.542 nan 8.380 nan 0.000 0.544 52 G N -1.920 106.898 108.800 0.030 0.000 2.212 52 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.266 52 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.266 52 G C -0.195 174.711 174.900 0.011 0.000 0.978 52 G CA 0.576 45.683 45.100 0.012 0.000 0.632 52 G HN 0.481 nan 8.290 nan 0.000 0.537 53 Q N 0.555 120.361 119.800 0.010 0.000 2.312 53 Q HA 0.510 4.850 4.340 -0.000 0.000 0.263 53 Q C -2.577 173.424 176.000 0.002 0.000 0.995 53 Q CA -2.204 53.601 55.803 0.003 0.000 0.853 53 Q CB 1.960 30.697 28.738 -0.002 0.000 1.300 53 Q HN 0.181 nan 8.270 nan 0.000 0.448 54 P HA 0.093 nan 4.420 nan 0.000 0.265 54 P C -0.792 176.506 177.300 -0.003 0.000 1.193 54 P CA -0.243 62.860 63.100 0.005 0.000 0.765 54 P CB 0.422 32.127 31.700 0.007 0.000 0.823 55 L N 2.756 123.977 121.223 -0.004 0.000 2.409 55 L HA 0.682 5.022 4.340 -0.000 0.000 0.272 55 L C -0.647 176.224 176.870 0.002 0.000 0.980 55 L CA -0.879 53.953 54.840 -0.014 0.000 0.826 55 L CB 1.557 43.591 42.059 -0.042 0.000 1.268 55 L HN 0.389 nan 8.230 nan 0.000 0.407 56 A N 5.794 128.616 122.820 0.004 0.000 2.488 56 A HA 0.491 4.811 4.320 -0.000 0.000 0.249 56 A C -0.453 177.143 177.584 0.020 0.000 1.083 56 A CA -0.085 51.961 52.037 0.015 0.000 0.768 56 A CB -0.207 18.800 19.000 0.012 0.000 1.017 56 A HN 0.757 nan 8.150 nan 0.000 0.496 57 L N 2.546 123.793 121.223 0.040 0.000 2.307 57 L HA 0.213 4.553 4.340 -0.000 0.000 0.282 57 L C 1.623 178.525 176.870 0.054 0.000 1.051 57 L CA -0.333 54.544 54.840 0.062 0.000 0.804 57 L CB 1.289 43.410 42.059 0.102 0.000 1.197 57 L HN 1.001 nan 8.230 nan 0.000 0.431 58 Q N 1.591 121.425 119.800 0.056 0.000 2.016 58 Q HA -0.035 4.305 4.340 -0.000 0.000 0.200 58 Q C -0.263 175.768 176.000 0.050 0.000 0.978 58 Q CA 1.069 56.899 55.803 0.046 0.000 0.833 58 Q CB 0.442 29.206 28.738 0.045 0.000 0.895 58 Q HN 0.485 nan 8.270 nan 0.000 0.427 59 V N 2.403 122.360 119.914 0.071 0.000 2.443 59 V HA 0.304 4.424 4.120 -0.000 0.000 0.293 59 V C -2.262 173.873 176.094 0.070 0.000 1.021 59 V CA -1.704 60.632 62.300 0.059 0.000 0.848 59 V CB 1.292 33.148 31.823 0.054 0.000 0.998 59 V HN 0.204 nan 8.190 nan 0.000 0.424 60 P HA 0.126 nan 4.420 nan 0.000 0.270 60 P C -0.351 176.960 177.300 0.018 0.000 1.227 60 P CA -0.120 63.013 63.100 0.054 0.000 0.788 60 P CB 0.474 32.202 31.700 0.047 0.000 0.926 61 V N 1.801 121.714 119.914 -0.000 0.000 2.555 61 V HA 0.192 4.312 4.120 -0.000 0.000 0.286 61 V C 0.445 176.535 176.094 -0.008 0.000 1.044 61 V CA -0.159 62.091 62.300 -0.083 0.000 1.026 61 V CB 0.935 32.685 31.823 -0.122 0.000 0.981 61 V HN 0.370 nan 8.190 nan 0.000 0.480 62 V N 4.321 124.239 119.914 0.006 0.000 2.417 62 V HA 0.572 4.692 4.120 -0.000 0.000 0.291 62 V C -0.139 176.011 176.094 0.093 0.000 1.024 62 V CA -0.952 61.378 62.300 0.049 0.000 0.861 62 V CB 1.701 33.543 31.823 0.033 0.000 0.985 62 V HN 0.698 nan 8.190 nan 0.000 0.436 63 M N 4.450 124.091 119.600 0.068 0.000 2.341 63 M HA 0.362 4.842 4.480 -0.000 0.000 0.336 63 M C -0.050 176.299 176.300 0.082 0.000 1.489 63 M CA 0.485 55.822 55.300 0.061 0.000 1.278 63 M CB -0.087 32.522 32.600 0.015 0.000 1.657 63 M HN 0.806 nan 8.290 nan 0.000 0.455 64 K N 2.835 123.342 120.400 0.180 0.000 2.423 64 K HA 0.168 4.488 4.320 -0.000 0.000 0.234 64 K C -0.526 176.154 176.600 0.133 0.000 1.051 64 K CA -0.001 56.350 56.287 0.106 0.000 1.021 64 K CB 0.304 32.769 32.500 -0.059 0.000 1.474 64 K HN 0.582 nan 8.250 nan 0.000 0.474 65 D N 3.240 123.677 120.400 0.060 0.000 2.813 65 D HA -0.158 4.482 4.640 -0.000 0.000 0.241 65 D C -0.733 175.585 176.300 0.030 0.000 1.071 65 D CA 1.137 55.165 54.000 0.046 0.000 0.747 65 D CB -1.790 39.048 40.800 0.062 0.000 1.077 65 D HN 0.928 nan 8.370 nan 0.000 0.436 66 N N -1.393 117.305 118.700 -0.003 0.000 2.809 66 N HA -0.305 4.435 4.740 -0.000 0.000 0.244 66 N C -0.170 175.283 175.510 -0.095 0.000 1.018 66 N CA 1.812 54.826 53.050 -0.059 0.000 0.917 66 N CB -0.584 37.883 38.487 -0.033 0.000 1.130 66 N HN 0.848 nan 8.380 nan 0.000 0.591 67 K N -0.723 119.656 120.400 -0.034 0.000 2.400 67 K HA 0.860 5.180 4.320 -0.000 0.000 0.246 67 K C -1.069 175.501 176.600 -0.050 0.000 0.995 67 K CA -0.799 55.439 56.287 -0.082 0.000 0.840 67 K CB 2.311 34.750 32.500 -0.102 0.000 1.293 67 K HN -0.016 nan 8.250 nan 0.000 0.445 68 A N 1.229 123.925 122.820 -0.205 0.000 2.340 68 A HA 0.658 4.978 4.320 -0.000 0.000 0.331 68 A C -1.786 175.550 177.584 -0.414 0.000 1.140 68 A CA -0.802 51.123 52.037 -0.187 0.000 0.801 68 A CB 0.248 19.080 19.000 -0.279 0.000 1.234 68 A HN 0.653 nan 8.150 nan 0.000 0.469 69 W N 0.686 121.866 121.300 -0.200 0.000 2.689 69 W HA 0.584 5.244 4.660 -0.000 0.000 0.340 69 W C -0.223 176.129 176.519 -0.278 0.000 1.060 69 W CA -0.440 56.785 57.345 -0.200 0.000 1.218 69 W CB 2.050 31.431 29.460 -0.132 0.000 1.410 69 W HN 0.720 nan 8.180 nan 0.000 0.528 70 V N -0.472 119.375 119.914 -0.112 0.000 3.040 70 V HA 0.709 4.829 4.120 -0.000 0.000 0.312 70 V C 0.100 176.154 176.094 -0.066 0.000 1.115 70 V CA -1.283 60.846 62.300 -0.285 0.000 0.998 70 V CB 1.017 32.358 31.823 -0.803 0.000 1.042 70 V HN 0.545 nan 8.190 nan 0.000 0.433 71 S N 1.002 116.693 115.700 -0.015 0.000 2.566 71 S HA 0.033 4.503 4.470 -0.000 0.000 0.280 71 S C 0.976 175.634 174.600 0.095 0.000 1.343 71 S CA 0.626 58.869 58.200 0.071 0.000 1.036 71 S CB 0.521 63.788 63.200 0.111 0.000 0.866 71 S HN 1.177 nan 8.310 nan 0.000 0.526 72 D N 1.824 122.269 120.400 0.075 0.000 2.348 72 D HA -0.087 4.553 4.640 -0.000 0.000 0.216 72 D C 1.704 178.039 176.300 0.060 0.000 0.970 72 D CA 1.401 55.438 54.000 0.062 0.000 0.889 72 D CB -0.859 39.968 40.800 0.045 0.000 0.912 72 D HN 0.642 nan 8.370 nan 0.000 0.524 73 T N -3.096 111.504 114.554 0.077 0.000 3.044 73 T HA -0.011 4.339 4.350 -0.000 0.000 0.255 73 T C 1.740 176.487 174.700 0.079 0.000 1.073 73 T CA -0.057 62.076 62.100 0.054 0.000 1.125 73 T CB -0.876 68.018 68.868 0.043 0.000 0.908 73 T HN 0.028 nan 8.240 nan 0.000 0.480 74 F N 2.622 122.557 119.950 -0.024 0.000 2.064 74 F HA -0.271 4.256 4.527 -0.000 0.000 0.293 74 F C 1.874 177.670 175.800 -0.006 0.000 1.086 74 F CA 1.904 59.894 58.000 -0.017 0.000 1.242 74 F CB -0.567 38.422 39.000 -0.017 0.000 0.970 74 F HN 0.154 nan 8.300 nan 0.000 0.494 75 I N 0.150 120.722 120.570 0.002 0.000 2.163 75 I HA -0.377 3.793 4.170 -0.000 0.000 0.243 75 I C 2.482 178.492 176.117 -0.178 0.000 1.085 75 I CA 2.009 63.206 61.300 -0.173 0.000 1.347 75 I CB -0.899 36.845 38.000 -0.427 0.000 1.044 75 I HN 0.446 nan 8.210 nan 0.000 0.408 76 N N 1.080 119.691 118.700 -0.148 0.000 2.109 76 N HA -0.200 4.540 4.740 -0.000 0.000 0.188 76 N C 1.391 176.847 175.510 -0.090 0.000 1.034 76 N CA 1.739 54.728 53.050 -0.103 0.000 0.846 76 N CB -0.141 38.302 38.487 -0.074 0.000 1.010 76 N HN 0.179 nan 8.380 nan 0.000 0.425 77 D N 0.584 120.924 120.400 -0.100 0.000 2.154 77 D HA -0.154 4.486 4.640 -0.000 0.000 0.190 77 D C 2.042 178.237 176.300 -0.176 0.000 1.003 77 D CA 1.281 55.215 54.000 -0.109 0.000 0.849 77 D CB -0.384 40.363 40.800 -0.088 0.000 0.942 77 D HN 0.150 nan 8.370 nan 0.000 0.446 78 V N -0.479 119.241 119.914 -0.324 0.000 2.300 78 V HA -0.116 4.004 4.120 -0.000 0.000 0.241 78 V C 2.097 177.961 176.094 -0.383 0.000 1.034 78 V CA 1.147 63.172 62.300 -0.458 0.000 1.021 78 V CB -0.547 30.744 31.823 -0.888 0.000 0.662 78 V HN 0.072 nan 8.190 nan 0.000 0.458 79 F N 0.118 119.931 119.950 -0.230 0.000 2.259 79 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 79 F C 2.238 178.013 175.800 -0.042 0.000 1.088 79 F CA 1.164 59.111 58.000 -0.089 0.000 1.358 79 F CB -0.159 38.806 39.000 -0.057 0.000 1.040 79 F HN 0.156 nan 8.300 nan 0.000 0.505 80 Q N -0.522 119.332 119.800 0.090 0.000 2.201 80 Q HA 0.052 4.392 4.340 -0.000 0.000 0.217 80 Q C 1.868 177.873 176.000 0.010 0.000 0.860 80 Q CA 0.233 56.068 55.803 0.052 0.000 0.984 80 Q CB 0.248 29.001 28.738 0.024 0.000 1.095 80 Q HN 0.293 nan 8.270 nan 0.000 0.477 81 S N -1.060 114.628 115.700 -0.021 0.000 2.447 81 S HA -0.027 4.443 4.470 -0.000 0.000 0.233 81 S C 1.684 176.280 174.600 -0.007 0.000 1.006 81 S CA 0.914 59.095 58.200 -0.032 0.000 0.957 81 S CB -0.094 63.065 63.200 -0.069 0.000 0.773 81 S HN 0.544 nan 8.310 nan 0.000 0.507 82 G N 0.690 109.499 108.800 0.014 0.000 2.194 82 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.236 82 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.236 82 G C 0.579 175.492 174.900 0.022 0.000 0.987 82 G CA 0.279 45.395 45.100 0.027 0.000 0.635 82 G HN 0.530 nan 8.290 nan 0.000 0.520 83 L N 0.659 121.885 121.223 0.004 0.000 2.492 83 L HA 0.248 4.588 4.340 -0.000 0.000 0.223 83 L C 0.986 177.867 176.870 0.018 0.000 1.132 83 L CA 0.615 55.456 54.840 0.001 0.000 0.850 83 L CB 0.082 42.128 42.059 -0.022 0.000 0.966 83 L HN 0.243 nan 8.230 nan 0.000 0.454 84 D N 0.291 120.715 120.400 0.041 0.000 2.347 84 D HA 0.078 4.718 4.640 -0.000 0.000 0.235 84 D C 0.457 176.819 176.300 0.104 0.000 1.149 84 D CA -0.012 54.036 54.000 0.080 0.000 0.850 84 D CB 1.335 42.213 40.800 0.129 0.000 1.061 84 D HN 0.016 nan 8.370 nan 0.000 0.487 85 Q N 1.711 121.554 119.800 0.071 0.000 2.280 85 Q HA 0.074 4.414 4.340 -0.000 0.000 0.201 85 Q C 1.436 177.465 176.000 0.048 0.000 0.890 85 Q CA 0.031 55.872 55.803 0.064 0.000 0.947 85 Q CB 0.569 29.325 28.738 0.031 0.000 1.081 85 Q HN 0.524 nan 8.270 nan 0.000 0.502 86 T N 0.193 114.774 114.554 0.046 0.000 2.649 86 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 86 T C 0.118 174.697 174.700 -0.202 0.000 1.036 86 T CA 1.362 63.405 62.100 -0.094 0.000 1.157 86 T CB -0.106 68.735 68.868 -0.045 0.000 0.861 86 T HN 0.112 nan 8.240 nan 0.000 0.445 87 F N 1.387 121.376 119.950 0.065 0.000 2.458 87 F HA 0.472 4.999 4.527 0.000 0.000 0.336 87 F C 0.371 176.199 175.800 0.046 0.000 1.114 87 F CA -1.109 56.926 58.000 0.059 0.000 0.987 87 F CB 1.406 40.442 39.000 0.060 0.000 1.130 87 F HN -0.132 nan 8.300 nan 0.000 0.458 88 Q N 2.125 122.039 119.800 0.189 0.000 2.416 88 Q HA 0.575 4.915 4.340 -0.000 0.000 0.279 88 Q C -0.652 175.421 176.000 0.122 0.000 1.101 88 Q CA -1.212 54.668 55.803 0.127 0.000 0.830 88 Q CB 2.772 31.554 28.738 0.074 0.000 1.402 88 Q HN 0.555 nan 8.270 nan 0.000 0.445 89 V N -1.696 118.271 119.914 0.089 0.000 2.715 89 V HA 0.204 4.324 4.120 -0.000 0.000 0.299 89 V C 0.154 176.292 176.094 0.074 0.000 1.054 89 V CA -0.358 61.987 62.300 0.076 0.000 1.077 89 V CB 0.660 32.516 31.823 0.056 0.000 0.972 89 V HN 0.831 nan 8.190 nan 0.000 0.484 90 E N 3.111 123.358 120.200 0.078 0.000 2.014 90 E HA 0.291 4.641 4.350 -0.000 0.000 0.275 90 E C 0.450 177.097 176.600 0.079 0.000 0.997 90 E CA -0.483 55.970 56.400 0.088 0.000 0.804 90 E CB 1.024 30.784 29.700 0.101 0.000 1.090 90 E HN 0.792 nan 8.360 nan 0.000 0.401 91 K N 2.840 123.284 120.400 0.074 0.000 2.167 91 K HA 0.052 4.372 4.320 -0.000 0.000 0.203 91 K C 0.324 176.972 176.600 0.080 0.000 1.052 91 K CA 0.720 57.045 56.287 0.063 0.000 0.956 91 K CB 0.324 32.853 32.500 0.048 0.000 0.735 91 K HN 0.270 nan 8.250 nan 0.000 0.451 92 R N 1.680 122.251 120.500 0.117 0.000 2.371 92 R HA 0.217 4.557 4.340 -0.000 0.000 0.312 92 R C -2.685 173.746 176.300 0.219 0.000 0.980 92 R CA -1.925 54.275 56.100 0.166 0.000 0.867 92 R CB 1.397 31.816 30.300 0.199 0.000 1.163 92 R HN -0.048 nan 8.270 nan 0.000 0.492 93 P HA -0.091 nan 4.420 nan 0.000 0.266 93 P C -0.462 176.788 177.300 -0.084 0.000 1.215 93 P CA 0.141 63.277 63.100 0.060 0.000 0.763 93 P CB 0.389 32.098 31.700 0.015 0.000 0.806 94 H N 7.149 126.109 119.070 -0.184 0.000 3.115 94 H HA -0.043 4.513 4.556 -0.000 0.000 0.324 94 H C -1.141 173.854 175.328 -0.555 0.000 1.007 94 H CA -0.709 55.009 56.048 -0.550 0.000 1.385 94 H CB 0.634 30.257 29.762 -0.233 0.000 1.351 94 H HN 0.297 nan 8.280 nan 0.000 0.592 95 P HA -0.090 nan 4.420 nan 0.000 0.223 95 P C 1.409 178.610 177.300 -0.166 0.000 1.151 95 P CA 0.852 63.727 63.100 -0.375 0.000 0.787 95 P CB 0.348 31.779 31.700 -0.448 0.000 0.788 96 L N -1.323 119.862 121.223 -0.063 0.000 2.592 96 L HA 0.113 4.453 4.340 -0.000 0.000 0.227 96 L C 0.395 177.198 176.870 -0.111 0.000 1.127 96 L CA -0.253 54.470 54.840 -0.195 0.000 0.884 96 L CB -0.889 40.925 42.059 -0.408 0.000 1.065 96 L HN -0.118 nan 8.230 nan 0.000 0.457 97 N N 2.095 120.786 118.700 -0.015 0.000 2.217 97 N HA 0.005 4.745 4.740 -0.000 0.000 0.268 97 N C 0.379 175.906 175.510 0.027 0.000 1.290 97 N CA 0.346 53.457 53.050 0.103 0.000 0.831 97 N CB 0.501 39.030 38.487 0.070 0.000 1.057 97 N HN 0.152 nan 8.380 nan 0.000 0.481 98 A N 2.942 125.773 122.820 0.018 0.000 2.475 98 A HA 0.129 4.449 4.320 -0.000 0.000 0.239 98 A C 0.518 178.094 177.584 -0.013 0.000 1.087 98 A CA -0.400 51.630 52.037 -0.012 0.000 0.779 98 A CB 0.041 19.024 19.000 -0.030 0.000 1.036 98 A HN 0.703 nan 8.150 nan 0.000 0.506 99 L N 1.865 123.078 121.223 -0.017 0.000 2.628 99 L HA 0.051 4.391 4.340 -0.000 0.000 0.274 99 L C 1.475 178.333 176.870 -0.020 0.000 1.209 99 L CA 0.110 54.940 54.840 -0.018 0.000 0.930 99 L CB -0.567 41.480 42.059 -0.020 0.000 1.183 99 L HN 0.984 nan 8.230 nan 0.000 0.492 100 T N 0.158 114.701 114.554 -0.018 0.000 2.766 100 T HA 0.290 4.640 4.350 -0.000 0.000 0.295 100 T C 1.358 176.043 174.700 -0.025 0.000 1.024 100 T CA -0.189 61.900 62.100 -0.018 0.000 1.018 100 T CB 1.356 70.215 68.868 -0.014 0.000 1.002 100 T HN 0.622 nan 8.240 nan 0.000 0.532 101 A N 0.842 123.647 122.820 -0.025 0.000 1.917 101 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 101 A C 2.067 179.630 177.584 -0.036 0.000 1.182 101 A CA 2.047 54.065 52.037 -0.031 0.000 0.633 101 A CB -1.123 17.861 19.000 -0.026 0.000 0.819 101 A HN 0.912 nan 8.150 nan 0.000 0.448 102 D N -0.571 119.812 120.400 -0.028 0.000 2.117 102 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 102 D C 1.967 178.248 176.300 -0.031 0.000 0.982 102 D CA 1.374 55.357 54.000 -0.028 0.000 0.828 102 D CB -0.432 40.356 40.800 -0.020 0.000 0.967 102 D HN 0.657 nan 8.370 nan 0.000 0.464 103 E N 0.243 120.427 120.200 -0.028 0.000 2.118 103 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 103 E C 2.290 178.865 176.600 -0.041 0.000 0.992 103 E CA 0.467 56.850 56.400 -0.027 0.000 0.804 103 E CB -0.007 29.680 29.700 -0.021 0.000 0.741 103 E HN 0.317 nan 8.360 nan 0.000 0.458 104 I N 1.177 121.715 120.570 -0.053 0.000 2.142 104 I HA -0.303 3.867 4.170 -0.000 0.000 0.240 104 I C 2.325 178.375 176.117 -0.110 0.000 1.078 104 I CA 1.284 62.534 61.300 -0.083 0.000 1.343 104 I CB -0.216 37.732 38.000 -0.087 0.000 1.046 104 I HN 0.018 nan 8.210 nan 0.000 0.405 105 K N 0.249 120.594 120.400 -0.092 0.000 2.063 105 K HA -0.276 4.044 4.320 -0.000 0.000 0.208 105 K C 2.165 178.719 176.600 -0.075 0.000 1.048 105 K CA 1.561 57.793 56.287 -0.092 0.000 0.928 105 K CB -0.273 32.186 32.500 -0.068 0.000 0.713 105 K HN 0.385 nan 8.250 nan 0.000 0.442 106 Q N 0.609 120.377 119.800 -0.052 0.000 2.061 106 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 106 Q C 2.078 178.060 176.000 -0.030 0.000 0.984 106 Q CA 1.711 57.493 55.803 -0.035 0.000 0.846 106 Q CB -0.143 28.582 28.738 -0.022 0.000 0.902 106 Q HN 0.341 nan 8.270 nan 0.000 0.421 107 A N -0.062 122.737 122.820 -0.034 0.000 1.940 107 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 107 A C 2.192 179.770 177.584 -0.011 0.000 1.176 107 A CA 1.626 53.657 52.037 -0.011 0.000 0.631 107 A CB -0.696 18.295 19.000 -0.015 0.000 0.814 107 A HN 0.325 nan 8.150 nan 0.000 0.446 108 V N -0.129 119.730 119.914 -0.092 0.000 2.358 108 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 108 V C 2.374 178.434 176.094 -0.057 0.000 1.047 108 V CA 2.233 64.462 62.300 -0.119 0.000 1.035 108 V CB -0.852 30.791 31.823 -0.299 0.000 0.658 108 V HN 0.636 nan 8.190 nan 0.000 0.452 109 E N 0.137 120.299 120.200 -0.063 0.000 2.031 109 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 109 E C 2.180 178.763 176.600 -0.028 0.000 0.994 109 E CA 1.686 58.051 56.400 -0.059 0.000 0.800 109 E CB -0.256 29.418 29.700 -0.044 0.000 0.752 109 E HN 0.539 nan 8.360 nan 0.000 0.447 110 I N 0.979 121.555 120.570 0.010 0.000 2.118 110 I HA -0.282 3.888 4.170 -0.000 0.000 0.241 110 I C 2.641 178.817 176.117 0.099 0.000 1.070 110 I CA 1.335 62.663 61.300 0.047 0.000 1.327 110 I CB -0.552 37.486 38.000 0.064 0.000 1.034 110 I HN 0.123 nan 8.210 nan 0.000 0.405 111 V N -1.647 118.366 119.914 0.165 0.000 2.667 111 V HA -0.169 3.951 4.120 -0.000 0.000 0.252 111 V C 2.200 178.399 176.094 0.175 0.000 1.065 111 V CA 1.426 63.931 62.300 0.343 0.000 1.083 111 V CB -0.819 31.313 31.823 0.514 0.000 0.692 111 V HN 0.326 nan 8.190 nan 0.000 0.468 112 K N 0.541 120.852 120.400 -0.148 0.000 2.365 112 K HA 0.211 4.531 4.320 -0.000 0.000 0.199 112 K C 2.096 178.567 176.600 -0.216 0.000 1.045 112 K CA 1.049 57.017 56.287 -0.531 0.000 0.962 112 K CB -0.207 32.002 32.500 -0.484 0.000 0.759 112 K HN 0.639 nan 8.250 nan 0.000 0.469 113 A N 0.486 123.262 122.820 -0.073 0.000 2.132 113 A HA 0.018 4.338 4.320 -0.000 0.000 0.213 113 A C 1.028 178.597 177.584 -0.024 0.000 1.154 113 A CA 0.140 52.155 52.037 -0.037 0.000 0.753 113 A CB 0.005 18.992 19.000 -0.021 0.000 0.826 113 A HN 0.230 nan 8.150 nan 0.000 0.469 114 S N -0.482 115.211 115.700 -0.011 0.000 2.573 114 S HA 0.369 4.839 4.470 -0.000 0.000 0.277 114 S C 1.209 175.744 174.600 -0.107 0.000 1.346 114 S CA 0.107 58.237 58.200 -0.116 0.000 1.034 114 S CB 1.114 64.119 63.200 -0.324 0.000 0.879 114 S HN 0.827 nan 8.310 nan 0.000 0.528 115 A N 2.669 125.393 122.820 -0.160 0.000 2.119 115 A HA 0.086 4.406 4.320 -0.000 0.000 0.216 115 A C 1.482 178.977 177.584 -0.149 0.000 1.152 115 A CA 0.904 52.876 52.037 -0.108 0.000 0.708 115 A CB -0.404 18.536 19.000 -0.100 0.000 0.805 115 A HN 0.872 nan 8.150 nan 0.000 0.460 116 D N -1.087 119.094 120.400 -0.365 0.000 2.347 116 D HA 0.003 4.643 4.640 -0.000 0.000 0.215 116 D C 0.098 176.325 176.300 -0.122 0.000 0.976 116 D CA 0.169 53.927 54.000 -0.402 0.000 0.884 116 D CB -0.231 40.028 40.800 -0.902 0.000 0.915 116 D HN 0.424 nan 8.370 nan 0.000 0.526 117 F N 2.837 122.703 119.950 -0.141 0.000 2.487 117 F HA 0.078 4.605 4.527 -0.000 0.000 0.364 117 F C 0.596 176.460 175.800 0.107 0.000 1.126 117 F CA -0.417 57.693 58.000 0.183 0.000 1.135 117 F CB 0.258 39.391 39.000 0.222 0.000 1.127 117 F HN -0.453 nan 8.300 nan 0.000 0.559 118 K N 8.206 128.445 120.400 -0.268 0.000 2.205 118 K HA 0.198 4.518 4.320 -0.000 0.000 0.279 118 K C -1.686 174.817 176.600 -0.162 0.000 1.027 118 K CA -1.555 54.648 56.287 -0.140 0.000 0.932 118 K CB 1.205 33.636 32.500 -0.115 0.000 1.032 118 K HN 0.306 nan 8.250 nan 0.000 0.466 119 P HA -0.200 nan 4.420 nan 0.000 0.218 119 P C 0.106 177.468 177.300 0.103 0.000 1.165 119 P CA 1.756 64.935 63.100 0.130 0.000 0.922 119 P CB 0.140 31.892 31.700 0.085 0.000 0.794 120 N N -2.165 116.545 118.700 0.017 0.000 2.322 120 N HA 0.045 4.785 4.740 -0.000 0.000 0.216 120 N C -0.391 175.103 175.510 -0.027 0.000 1.144 120 N CA -0.014 53.056 53.050 0.033 0.000 0.830 120 N CB -0.405 38.103 38.487 0.036 0.000 1.034 120 N HN 0.058 nan 8.380 nan 0.000 0.484 121 T N 1.371 115.819 114.554 -0.178 0.000 2.923 121 T HA -0.019 4.331 4.350 -0.000 0.000 0.304 121 T C 0.734 175.290 174.700 -0.240 0.000 1.044 121 T CA 0.628 62.511 62.100 -0.362 0.000 1.141 121 T CB 0.508 68.801 68.868 -0.959 0.000 1.023 121 T HN 0.192 nan 8.240 nan 0.000 0.533 122 R N 0.968 121.322 120.500 -0.244 0.000 2.797 122 R HA 0.576 4.916 4.340 -0.000 0.000 0.251 122 R C -0.910 175.162 176.300 -0.381 0.000 1.107 122 R CA -0.748 55.278 56.100 -0.122 0.000 1.084 122 R CB 1.001 31.388 30.300 0.145 0.000 1.205 122 R HN 0.474 nan 8.270 nan 0.000 0.515 123 F N 0.317 120.364 119.950 0.162 0.000 2.366 123 F HA 0.180 4.707 4.527 -0.000 0.000 0.366 123 F C 1.384 177.262 175.800 0.129 0.000 1.096 123 F CA -0.571 57.503 58.000 0.123 0.000 1.060 123 F CB 1.704 40.769 39.000 0.108 0.000 1.282 123 F HN 0.622 nan 8.300 nan 0.000 0.450 124 T N -1.534 113.139 114.554 0.200 0.000 2.857 124 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 124 T C 0.420 175.217 174.700 0.162 0.000 1.048 124 T CA 0.801 62.996 62.100 0.158 0.000 1.139 124 T CB 0.130 69.058 68.868 0.100 0.000 0.874 124 T HN 0.561 nan 8.240 nan 0.000 0.455 125 E N -0.208 120.097 120.200 0.175 0.000 2.343 125 E HA 0.468 4.818 4.350 -0.000 0.000 0.286 125 E C -1.871 174.813 176.600 0.141 0.000 0.915 125 E CA -0.686 55.796 56.400 0.137 0.000 0.784 125 E CB 1.531 31.283 29.700 0.087 0.000 1.251 125 E HN 0.356 nan 8.360 nan 0.000 0.407 126 I N 3.416 124.046 120.570 0.101 0.000 2.428 126 I HA 0.360 4.530 4.170 -0.000 0.000 0.279 126 I C -0.607 175.530 176.117 0.033 0.000 1.040 126 I CA -0.456 60.880 61.300 0.060 0.000 1.171 126 I CB 1.507 39.505 38.000 -0.004 0.000 1.312 126 I HN 0.283 nan 8.210 nan 0.000 0.470 127 S N 5.023 120.747 115.700 0.039 0.000 2.570 127 S HA 0.487 4.957 4.470 -0.000 0.000 0.286 127 S C -0.552 174.058 174.600 0.016 0.000 1.099 127 S CA -0.625 57.589 58.200 0.025 0.000 0.913 127 S CB 2.393 65.614 63.200 0.036 0.000 1.085 127 S HN 0.487 nan 8.310 nan 0.000 0.480 128 L N 2.989 124.213 121.223 0.002 0.000 2.615 128 L HA 0.135 4.475 4.340 -0.000 0.000 0.284 128 L C -0.487 176.385 176.870 0.003 0.000 1.237 128 L CA 0.135 54.972 54.840 -0.004 0.000 0.905 128 L CB 0.022 42.070 42.059 -0.018 0.000 1.149 128 L HN 0.565 nan 8.230 nan 0.000 0.499 129 L N 9.249 130.475 121.223 0.005 0.000 2.282 129 L HA 0.529 4.869 4.340 -0.000 0.000 0.287 129 L C -2.253 174.616 176.870 -0.002 0.000 1.075 129 L CA -2.303 52.542 54.840 0.008 0.000 0.839 129 L CB 0.016 42.085 42.059 0.016 0.000 1.219 129 L HN 0.540 nan 8.230 nan 0.000 0.434 130 P HA 0.257 nan 4.420 nan 0.000 0.271 130 P C -2.594 174.705 177.300 -0.001 0.000 1.216 130 P CA -1.014 62.081 63.100 -0.008 0.000 0.776 130 P CB -0.107 31.596 31.700 0.006 0.000 0.881 131 P HA 0.002 nan 4.420 nan 0.000 0.272 131 P C -0.245 177.058 177.300 0.005 0.000 1.248 131 P CA 0.254 63.347 63.100 -0.012 0.000 0.799 131 P CB 0.147 31.825 31.700 -0.035 0.000 0.997 132 D N -0.591 119.808 120.400 -0.001 0.000 2.313 132 D HA 0.062 4.702 4.640 -0.000 0.000 0.247 132 D C 0.991 177.265 176.300 -0.044 0.000 1.094 132 D CA -0.476 53.522 54.000 -0.004 0.000 0.925 132 D CB 0.632 41.431 40.800 -0.002 0.000 1.188 132 D HN 0.261 nan 8.370 nan 0.000 0.430 133 K N 0.843 121.161 120.400 -0.137 0.000 2.059 133 K HA -0.292 4.028 4.320 -0.000 0.000 0.212 133 K C 1.686 178.158 176.600 -0.213 0.000 1.050 133 K CA 1.834 57.867 56.287 -0.424 0.000 0.927 133 K CB -0.006 32.023 32.500 -0.785 0.000 0.714 133 K HN 0.653 nan 8.250 nan 0.000 0.447 134 E N -0.397 119.752 120.200 -0.085 0.000 2.072 134 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 134 E C 1.816 178.462 176.600 0.078 0.000 0.985 134 E CA 0.902 57.320 56.400 0.031 0.000 0.801 134 E CB -0.120 29.586 29.700 0.009 0.000 0.750 134 E HN 0.440 nan 8.360 nan 0.000 0.452 135 A N 0.660 123.503 122.820 0.038 0.000 1.908 135 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 135 A C 2.395 180.026 177.584 0.078 0.000 1.181 135 A CA 1.640 53.709 52.037 0.053 0.000 0.627 135 A CB -0.713 18.300 19.000 0.022 0.000 0.818 135 A HN 0.227 nan 8.150 nan 0.000 0.445 136 V N -2.386 117.553 119.914 0.040 0.000 2.307 136 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 136 V C 2.241 178.408 176.094 0.120 0.000 1.045 136 V CA 1.696 64.004 62.300 0.014 0.000 1.024 136 V CB -1.112 30.709 31.823 -0.003 0.000 0.651 136 V HN 0.782 nan 8.190 nan 0.000 0.449 137 W N 0.154 121.531 121.300 0.129 0.000 2.338 137 W HA -0.193 4.467 4.660 -0.000 0.000 0.304 137 W C 2.641 179.208 176.519 0.081 0.000 1.212 137 W CA 1.236 58.652 57.345 0.118 0.000 1.264 137 W CB -0.332 29.160 29.460 0.054 0.000 1.142 137 W HN 0.210 nan 8.180 nan 0.000 0.512 138 A N -0.223 122.775 122.820 0.298 0.000 1.908 138 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 138 A C 1.689 179.361 177.584 0.148 0.000 1.181 138 A CA 1.640 53.782 52.037 0.176 0.000 0.627 138 A CB -1.315 17.754 19.000 0.116 0.000 0.818 138 A HN 0.404 nan 8.150 nan 0.000 0.445 139 F N 1.035 120.995 119.950 0.017 0.000 2.069 139 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 139 F C 2.468 178.253 175.800 -0.025 0.000 1.113 139 F CA 1.623 59.594 58.000 -0.048 0.000 1.214 139 F CB -0.422 38.481 39.000 -0.162 0.000 0.978 139 F HN 0.231 nan 8.300 nan 0.000 0.474 140 A N -0.170 122.787 122.820 0.227 0.000 2.015 140 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 140 A C 2.135 179.796 177.584 0.129 0.000 1.163 140 A CA 1.662 53.820 52.037 0.202 0.000 0.646 140 A CB -0.735 18.473 19.000 0.347 0.000 0.806 140 A HN 0.532 nan 8.150 nan 0.000 0.448 141 L N -2.621 118.688 121.223 0.145 0.000 2.467 141 L HA 0.184 4.524 4.340 -0.000 0.000 0.213 141 L C 1.967 178.842 176.870 0.008 0.000 1.053 141 L CA 0.648 55.548 54.840 0.101 0.000 0.847 141 L CB 0.202 42.338 42.059 0.129 0.000 1.075 141 L HN 0.203 nan 8.230 nan 0.000 0.479 142 E N -0.733 119.456 120.200 -0.018 0.000 2.511 142 E HA 0.105 4.455 4.350 -0.000 0.000 0.209 142 E C -0.005 176.526 176.600 -0.115 0.000 0.986 142 E CA -0.078 56.293 56.400 -0.048 0.000 0.974 142 E CB 0.596 30.286 29.700 -0.017 0.000 1.030 142 E HN 0.153 nan 8.360 nan 0.000 0.490 143 N N 0.943 119.505 118.700 -0.230 0.000 2.800 143 N HA -0.192 4.548 4.740 -0.000 0.000 0.250 143 N C -0.820 174.549 175.510 -0.234 0.000 1.078 143 N CA 0.751 53.558 53.050 -0.405 0.000 0.804 143 N CB -0.910 37.404 38.487 -0.289 0.000 1.135 143 N HN 0.217 nan 8.380 nan 0.000 0.565 144 K N 1.265 121.611 120.400 -0.089 0.000 2.472 144 K HA 0.064 4.384 4.320 -0.000 0.000 0.280 144 K C -2.202 174.460 176.600 0.104 0.000 1.028 144 K CA -0.683 55.610 56.287 0.010 0.000 1.045 144 K CB 0.240 32.763 32.500 0.039 0.000 0.902 144 K HN 0.005 nan 8.250 nan 0.000 0.478 145 P HA -0.037 nan 4.420 nan 0.000 0.266 145 P C -0.656 176.714 177.300 0.117 0.000 1.195 145 P CA -0.175 63.016 63.100 0.151 0.000 0.768 145 P CB 0.540 32.292 31.700 0.086 0.000 0.838 146 V N 3.733 123.709 119.914 0.102 0.000 2.432 146 V HA 0.061 4.181 4.120 -0.000 0.000 0.271 146 V C 0.600 176.707 176.094 0.022 0.000 1.046 146 V CA 0.358 62.682 62.300 0.041 0.000 0.945 146 V CB 0.611 32.420 31.823 -0.023 0.000 0.992 146 V HN 0.448 nan 8.190 nan 0.000 0.471 147 D N 4.787 125.200 120.400 0.021 0.000 2.767 147 D HA 0.326 4.966 4.640 -0.000 0.000 0.241 147 D C -0.001 176.304 176.300 0.008 0.000 1.187 147 D CA 0.266 54.276 54.000 0.016 0.000 0.999 147 D CB 0.131 40.942 40.800 0.018 0.000 1.042 147 D HN 0.618 nan 8.370 nan 0.000 0.510 148 Q N 1.403 121.204 119.800 0.000 0.000 2.271 148 Q HA 0.329 4.669 4.340 -0.000 0.000 0.268 148 Q C -2.370 173.626 176.000 -0.006 0.000 1.021 148 Q CA -1.790 54.012 55.803 -0.002 0.000 0.802 148 Q CB 2.758 31.493 28.738 -0.006 0.000 1.282 148 Q HN 0.129 nan 8.270 nan 0.000 0.431 149 P HA -0.037 nan 4.420 nan 0.000 0.266 149 P C -0.639 176.657 177.300 -0.006 0.000 1.193 149 P CA -0.053 63.046 63.100 -0.001 0.000 0.770 149 P CB 0.640 32.344 31.700 0.006 0.000 0.836 150 R N 2.665 123.159 120.500 -0.010 0.000 2.484 150 R HA 0.141 4.481 4.340 -0.000 0.000 0.293 150 R C 0.617 176.916 176.300 -0.002 0.000 1.023 150 R CA 0.503 56.595 56.100 -0.013 0.000 1.037 150 R CB 0.123 30.414 30.300 -0.015 0.000 0.951 150 R HN 0.534 nan 8.270 nan 0.000 0.418 151 K N 0.816 121.216 120.400 -0.000 0.000 2.350 151 K HA 0.712 5.032 4.320 -0.000 0.000 0.241 151 K C -0.938 175.670 176.600 0.013 0.000 0.994 151 K CA -0.861 55.433 56.287 0.011 0.000 0.839 151 K CB 2.450 34.959 32.500 0.016 0.000 1.244 151 K HN 0.601 nan 8.250 nan 0.000 0.443 152 A N 1.311 124.145 122.820 0.024 0.000 2.414 152 A HA 0.382 4.702 4.320 -0.000 0.000 0.306 152 A C -1.391 176.217 177.584 0.041 0.000 1.054 152 A CA -0.814 51.240 52.037 0.027 0.000 0.724 152 A CB 0.986 20.000 19.000 0.023 0.000 1.267 152 A HN 0.644 nan 8.150 nan 0.000 0.418 153 D N 1.584 122.010 120.400 0.043 0.000 2.295 153 D HA 0.396 5.036 4.640 -0.000 0.000 0.248 153 D C -0.609 175.732 176.300 0.069 0.000 1.154 153 D CA 0.373 54.406 54.000 0.055 0.000 0.857 153 D CB 1.625 42.459 40.800 0.058 0.000 1.117 153 D HN 0.158 nan 8.370 nan 0.000 0.468 154 V N 4.834 124.794 119.914 0.076 0.000 2.334 154 V HA 0.358 4.478 4.120 -0.000 0.000 0.281 154 V C 0.412 176.555 176.094 0.080 0.000 1.016 154 V CA -0.674 61.698 62.300 0.119 0.000 0.832 154 V CB 1.051 32.971 31.823 0.163 0.000 0.999 154 V HN 0.345 nan 8.190 nan 0.000 0.439 155 I N 5.839 126.480 120.570 0.117 0.000 2.354 155 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 155 I C -0.127 176.010 176.117 0.033 0.000 0.989 155 I CA -0.189 61.146 61.300 0.058 0.000 1.188 155 I CB 1.679 39.742 38.000 0.105 0.000 1.342 155 I HN 0.462 nan 8.210 nan 0.000 0.457 156 M N 6.393 125.922 119.600 -0.118 0.000 2.528 156 M HA 0.477 4.957 4.480 -0.000 0.000 0.321 156 M C -1.254 174.918 176.300 -0.213 0.000 1.153 156 M CA -0.857 54.295 55.300 -0.247 0.000 0.951 156 M CB 2.627 34.992 32.600 -0.393 0.000 1.705 156 M HN 0.319 nan 8.290 nan 0.000 0.451 157 L N 2.754 123.843 121.223 -0.223 0.000 2.353 157 L HA 0.395 4.735 4.340 -0.000 0.000 0.270 157 L C -1.155 175.600 176.870 -0.191 0.000 1.003 157 L CA -0.186 54.555 54.840 -0.166 0.000 0.862 157 L CB 0.786 42.782 42.059 -0.105 0.000 1.221 157 L HN 0.512 nan 8.230 nan 0.000 0.430 158 D N 4.104 124.406 120.400 -0.164 0.000 2.456 158 D HA 0.515 5.155 4.640 -0.000 0.000 0.219 158 D C 1.122 177.380 176.300 -0.070 0.000 1.126 158 D CA 0.917 54.837 54.000 -0.135 0.000 0.890 158 D CB 0.675 41.415 40.800 -0.100 0.000 1.025 158 D HN 0.802 nan 8.370 nan 0.000 0.511 159 G N 5.197 113.938 108.800 -0.098 0.000 4.430 159 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.332 159 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.332 159 G C 0.803 175.592 174.900 -0.185 0.000 1.338 159 G CA 1.011 46.044 45.100 -0.112 0.000 1.024 159 G HN 0.668 nan 8.290 nan 0.000 0.750 160 K N 0.484 120.684 120.400 -0.334 0.000 2.483 160 K HA 0.463 4.783 4.320 -0.000 0.000 0.206 160 K C 0.135 176.439 176.600 -0.494 0.000 1.086 160 K CA -0.053 55.993 56.287 -0.403 0.000 1.052 160 K CB 0.294 32.522 32.500 -0.453 0.000 0.904 160 K HN 0.639 nan 8.250 nan 0.000 0.557 161 H N 0.903 119.869 119.070 -0.175 0.000 2.467 161 H HA 0.309 4.865 4.556 -0.000 0.000 0.326 161 H C -0.477 174.723 175.328 -0.212 0.000 1.094 161 H CA -0.878 55.054 56.048 -0.193 0.000 1.253 161 H CB 1.311 30.982 29.762 -0.151 0.000 1.439 161 H HN 0.010 nan 8.280 nan 0.000 0.479 162 I N 4.568 125.054 120.570 -0.140 0.000 2.396 162 I HA 0.214 4.384 4.170 -0.000 0.000 0.292 162 I C 0.049 176.044 176.117 -0.204 0.000 0.999 162 I CA -0.153 61.018 61.300 -0.215 0.000 1.310 162 I CB 0.628 38.396 38.000 -0.387 0.000 1.404 162 I HN 0.568 nan 8.210 nan 0.000 0.496 163 I N 5.677 126.108 120.570 -0.233 0.000 2.534 163 I HA 0.265 4.435 4.170 -0.000 0.000 0.288 163 I C -0.255 175.676 176.117 -0.309 0.000 1.077 163 I CA -0.577 60.529 61.300 -0.323 0.000 1.051 163 I CB 2.170 39.860 38.000 -0.517 0.000 1.234 163 I HN 0.464 nan 8.210 nan 0.000 0.425 164 E N 5.106 125.164 120.200 -0.237 0.000 2.156 164 E HA 0.697 5.047 4.350 -0.000 0.000 0.279 164 E C -0.690 175.783 176.600 -0.211 0.000 0.965 164 E CA -0.603 55.712 56.400 -0.142 0.000 0.789 164 E CB 2.048 31.744 29.700 -0.007 0.000 1.098 164 E HN 0.645 nan 8.360 nan 0.000 0.397 165 A N 2.730 125.444 122.820 -0.177 0.000 2.354 165 A HA 0.702 5.022 4.320 -0.000 0.000 0.321 165 A C -0.821 176.778 177.584 0.026 0.000 1.125 165 A CA -0.634 51.354 52.037 -0.081 0.000 0.799 165 A CB 1.435 20.382 19.000 -0.089 0.000 1.293 165 A HN 0.400 nan 8.150 nan 0.000 0.452 166 V N 1.299 121.257 119.914 0.073 0.000 2.588 166 V HA 0.617 4.737 4.120 -0.000 0.000 0.304 166 V C -0.348 175.800 176.094 0.090 0.000 1.042 166 V CA -0.438 61.906 62.300 0.072 0.000 0.877 166 V CB 1.577 33.438 31.823 0.062 0.000 0.996 166 V HN 1.176 nan 8.190 nan 0.000 0.425 167 V N 0.506 120.466 119.914 0.077 0.000 2.769 167 V HA 0.715 4.835 4.120 -0.000 0.000 0.312 167 V C -0.786 175.338 176.094 0.050 0.000 1.061 167 V CA -0.636 61.709 62.300 0.075 0.000 0.931 167 V CB 2.133 34.004 31.823 0.079 0.000 1.010 167 V HN 0.805 nan 8.190 nan 0.000 0.433 168 D N 3.057 123.484 120.400 0.045 0.000 2.412 168 D HA 0.388 5.028 4.640 -0.000 0.000 0.224 168 D C 0.785 177.099 176.300 0.024 0.000 1.093 168 D CA -0.183 53.836 54.000 0.031 0.000 0.850 168 D CB 1.551 42.369 40.800 0.030 0.000 1.046 168 D HN 0.646 nan 8.370 nan 0.000 0.507 169 L N 2.953 124.186 121.223 0.016 0.000 2.156 169 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 169 L C 2.501 179.375 176.870 0.006 0.000 1.095 169 L CA 0.624 55.469 54.840 0.009 0.000 0.770 169 L CB -0.205 41.856 42.059 0.003 0.000 0.914 169 L HN 0.492 nan 8.230 nan 0.000 0.439 170 Q N 0.481 120.285 119.800 0.006 0.000 2.050 170 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 170 Q C 1.397 177.402 176.000 0.008 0.000 0.980 170 Q CA 1.572 57.378 55.803 0.005 0.000 0.840 170 Q CB 0.156 28.897 28.738 0.005 0.000 0.898 170 Q HN 0.500 nan 8.270 nan 0.000 0.424 171 N N 0.426 119.133 118.700 0.011 0.000 2.270 171 N HA -0.019 4.721 4.740 -0.000 0.000 0.198 171 N C -0.317 175.201 175.510 0.014 0.000 1.117 171 N CA 0.275 53.333 53.050 0.013 0.000 0.845 171 N CB 0.319 38.815 38.487 0.015 0.000 0.980 171 N HN 0.280 nan 8.380 nan 0.000 0.486 172 N N 1.339 120.048 118.700 0.015 0.000 2.708 172 N HA -0.206 4.534 4.740 -0.000 0.000 0.249 172 N C -0.806 174.718 175.510 0.024 0.000 1.097 172 N CA 0.943 54.003 53.050 0.016 0.000 0.710 172 N CB -0.810 37.683 38.487 0.010 0.000 1.032 172 N HN 0.520 nan 8.380 nan 0.000 0.551 173 K N -1.076 119.343 120.400 0.031 0.000 2.340 173 K HA 0.580 4.900 4.320 -0.000 0.000 0.244 173 K C -0.606 176.030 176.600 0.060 0.000 0.973 173 K CA -1.172 55.139 56.287 0.040 0.000 0.828 173 K CB 1.586 34.106 32.500 0.033 0.000 1.226 173 K HN 0.037 nan 8.250 nan 0.000 0.437 174 L N 3.086 124.355 121.223 0.076 0.000 2.281 174 L HA 0.184 4.524 4.340 -0.000 0.000 0.285 174 L C 0.265 177.198 176.870 0.105 0.000 1.074 174 L CA -0.126 54.783 54.840 0.115 0.000 0.817 174 L CB 0.421 42.571 42.059 0.150 0.000 1.168 174 L HN 0.823 nan 8.230 nan 0.000 0.434 175 L N 3.290 124.576 121.223 0.105 0.000 2.354 175 L HA 0.244 4.584 4.340 -0.000 0.000 0.212 175 L C 0.401 177.337 176.870 0.109 0.000 1.091 175 L CA 0.625 55.518 54.840 0.088 0.000 0.828 175 L CB -0.279 41.821 42.059 0.069 0.000 0.973 175 L HN 0.868 nan 8.230 nan 0.000 0.461 176 S N -2.623 113.166 115.700 0.150 0.000 2.597 176 S HA 0.289 4.759 4.470 -0.000 0.000 0.274 176 S C -1.957 172.801 174.600 0.263 0.000 1.132 176 S CA -0.821 57.487 58.200 0.179 0.000 0.835 176 S CB 1.539 64.811 63.200 0.120 0.000 1.092 176 S HN 0.204 nan 8.310 nan 0.000 0.457 177 W N 2.394 123.721 121.300 0.045 0.000 2.451 177 W HA 0.365 5.025 4.660 0.000 0.000 0.285 177 W C -1.546 174.991 176.519 0.029 0.000 1.024 177 W CA -0.122 57.249 57.345 0.044 0.000 1.421 177 W CB 1.245 30.731 29.460 0.044 0.000 1.319 177 W HN 0.796 nan 8.180 nan 0.000 0.366 178 Q N 4.893 124.681 119.800 -0.021 0.000 2.368 178 Q HA 0.352 4.692 4.340 -0.000 0.000 0.256 178 Q C -2.199 173.752 176.000 -0.083 0.000 0.980 178 Q CA -1.804 54.003 55.803 0.006 0.000 0.887 178 Q CB 2.066 30.812 28.738 0.014 0.000 1.221 178 Q HN 0.130 nan 8.270 nan 0.000 0.458 179 P HA 0.164 nan 4.420 nan 0.000 0.271 179 P C -0.496 176.765 177.300 -0.066 0.000 1.218 179 P CA -0.163 62.903 63.100 -0.058 0.000 0.780 179 P CB 0.755 32.451 31.700 -0.008 0.000 0.901 180 I N 2.228 122.729 120.570 -0.114 0.000 2.354 180 I HA 0.225 4.395 4.170 -0.000 0.000 0.286 180 I C 0.542 176.581 176.117 -0.129 0.000 1.007 180 I CA -1.297 59.928 61.300 -0.125 0.000 1.167 180 I CB 0.875 38.745 38.000 -0.216 0.000 1.320 180 I HN 0.261 nan 8.210 nan 0.000 0.458 181 K N 6.323 126.681 120.400 -0.071 0.000 2.430 181 K HA -0.018 4.302 4.320 -0.000 0.000 0.280 181 K C 0.482 177.041 176.600 -0.068 0.000 1.063 181 K CA 1.003 57.259 56.287 -0.052 0.000 1.071 181 K CB 0.021 32.511 32.500 -0.017 0.000 0.899 181 K HN 0.546 nan 8.250 nan 0.000 0.473 182 D N 0.823 121.173 120.400 -0.083 0.000 2.792 182 D HA -0.212 4.428 4.640 -0.000 0.000 0.192 182 D C -0.491 175.743 176.300 -0.110 0.000 1.007 182 D CA 1.552 55.502 54.000 -0.083 0.000 1.020 182 D CB -1.266 39.519 40.800 -0.025 0.000 1.089 182 D HN 0.673 nan 8.370 nan 0.000 0.438 183 A N 0.987 123.686 122.820 -0.201 0.000 2.477 183 A HA 0.302 4.622 4.320 -0.000 0.000 0.246 183 A C 0.284 177.709 177.584 -0.265 0.000 1.078 183 A CA 0.360 52.229 52.037 -0.280 0.000 0.770 183 A CB 0.286 18.819 19.000 -0.778 0.000 1.011 183 A HN 0.252 nan 8.150 nan 0.000 0.494 184 H N 0.941 119.895 119.070 -0.195 0.000 2.472 184 H HA 0.429 4.985 4.556 -0.000 0.000 0.335 184 H C 0.890 176.144 175.328 -0.124 0.000 1.136 184 H CA 0.138 56.091 56.048 -0.158 0.000 1.264 184 H CB 1.646 31.337 29.762 -0.118 0.000 1.486 184 H HN 0.863 nan 8.280 nan 0.000 0.517 185 G N 1.721 110.510 108.800 -0.019 0.000 2.539 185 G HA2 0.314 4.274 3.960 -0.000 0.000 0.258 185 G HA3 0.314 4.274 3.960 -0.000 0.000 0.258 185 G C 0.630 175.529 174.900 -0.002 0.000 1.202 185 G CA -0.694 44.403 45.100 -0.006 0.000 0.851 185 G HN 0.623 nan 8.290 nan 0.000 0.556 186 M N 0.090 119.687 119.600 -0.004 0.000 2.036 186 M HA 0.465 4.945 4.480 -0.000 0.000 0.276 186 M C -0.244 175.986 176.300 -0.117 0.000 1.262 186 M CA -0.451 54.804 55.300 -0.074 0.000 1.097 186 M CB 0.324 32.892 32.600 -0.052 0.000 1.386 186 M HN 0.112 nan 8.290 nan 0.000 0.482 187 V N 2.143 121.924 119.914 -0.222 0.000 2.530 187 V HA 0.320 4.440 4.120 -0.000 0.000 0.282 187 V C 0.293 176.357 176.094 -0.049 0.000 1.048 187 V CA -0.376 61.801 62.300 -0.207 0.000 0.997 187 V CB 0.644 32.220 31.823 -0.412 0.000 0.987 187 V HN 0.628 nan 8.190 nan 0.000 0.477 188 L N 3.732 124.931 121.223 -0.040 0.000 2.313 188 L HA 0.410 4.750 4.340 -0.000 0.000 0.268 188 L C 1.135 177.980 176.870 -0.041 0.000 1.010 188 L CA -0.782 54.025 54.840 -0.057 0.000 0.814 188 L CB 1.278 43.230 42.059 -0.177 0.000 1.304 188 L HN 0.456 nan 8.230 nan 0.000 0.441 189 L N 1.499 122.612 121.223 -0.183 0.000 1.997 189 L HA -0.281 4.059 4.340 -0.000 0.000 0.216 189 L C 2.194 179.038 176.870 -0.044 0.000 1.074 189 L CA 2.312 57.101 54.840 -0.084 0.000 0.763 189 L CB -0.455 41.517 42.059 -0.144 0.000 0.890 189 L HN 0.935 nan 8.230 nan 0.000 0.434 190 D N -2.076 118.094 120.400 -0.384 0.000 2.350 190 D HA -0.199 4.441 4.640 -0.000 0.000 0.216 190 D C 1.400 177.683 176.300 -0.028 0.000 0.968 190 D CA 1.000 54.917 54.000 -0.137 0.000 0.894 190 D CB -0.606 40.117 40.800 -0.128 0.000 0.909 190 D HN 0.406 nan 8.370 nan 0.000 0.520 191 D N 0.137 120.521 120.400 -0.027 0.000 2.144 191 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 191 D C 1.759 178.045 176.300 -0.023 0.000 0.978 191 D CA 0.531 54.502 54.000 -0.049 0.000 0.833 191 D CB -0.572 40.158 40.800 -0.118 0.000 0.961 191 D HN 0.256 nan 8.370 nan 0.000 0.470 192 F N 1.632 121.562 119.950 -0.032 0.000 2.154 192 F HA -0.202 4.325 4.527 -0.000 0.000 0.301 192 F C 2.496 178.281 175.800 -0.025 0.000 1.087 192 F CA 1.279 59.279 58.000 0.001 0.000 1.274 192 F CB -0.452 38.570 39.000 0.037 0.000 1.009 192 F HN -0.046 nan 8.300 nan 0.000 0.485 193 A N -1.155 121.757 122.820 0.154 0.000 1.903 193 A HA -0.055 4.265 4.320 -0.000 0.000 0.213 193 A C 2.321 179.913 177.584 0.013 0.000 1.185 193 A CA 1.262 53.342 52.037 0.072 0.000 0.628 193 A CB -0.981 18.059 19.000 0.067 0.000 0.830 193 A HN 0.246 nan 8.150 nan 0.000 0.446 194 S N 0.031 115.730 115.700 -0.002 0.000 2.392 194 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 194 S C 1.923 176.482 174.600 -0.067 0.000 1.041 194 S CA 1.772 59.950 58.200 -0.036 0.000 1.100 194 S CB -0.839 62.332 63.200 -0.048 0.000 1.029 194 S HN 0.330 nan 8.310 nan 0.000 0.424 195 V N 1.785 121.645 119.914 -0.089 0.000 2.252 195 V HA -0.325 3.795 4.120 -0.000 0.000 0.255 195 V C 2.667 178.680 176.094 -0.135 0.000 1.071 195 V CA 2.524 64.746 62.300 -0.130 0.000 1.050 195 V CB -0.832 30.899 31.823 -0.154 0.000 0.654 195 V HN 0.449 nan 8.190 nan 0.000 0.448 196 Q N 0.171 119.918 119.800 -0.089 0.000 2.050 196 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 196 Q C 1.960 177.903 176.000 -0.095 0.000 0.980 196 Q CA 2.372 58.119 55.803 -0.093 0.000 0.840 196 Q CB -0.484 28.226 28.738 -0.047 0.000 0.898 196 Q HN 0.775 nan 8.270 nan 0.000 0.424 197 N N -0.514 118.146 118.700 -0.065 0.000 2.039 197 N HA -0.134 4.606 4.740 -0.000 0.000 0.193 197 N C 1.878 177.342 175.510 -0.077 0.000 1.044 197 N CA 1.505 54.522 53.050 -0.056 0.000 0.847 197 N CB -0.243 38.225 38.487 -0.033 0.000 1.030 197 N HN 0.258 nan 8.380 nan 0.000 0.422 198 I N 1.014 121.532 120.570 -0.088 0.000 2.143 198 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 198 I C 2.047 178.074 176.117 -0.151 0.000 1.068 198 I CA 1.203 62.441 61.300 -0.103 0.000 1.326 198 I CB -0.303 37.631 38.000 -0.110 0.000 1.028 198 I HN 0.129 nan 8.210 nan 0.000 0.412 199 I N 0.984 121.415 120.570 -0.232 0.000 2.163 199 I HA -0.268 3.902 4.170 -0.000 0.000 0.240 199 I C 2.160 178.158 176.117 -0.198 0.000 1.081 199 I CA 1.539 62.605 61.300 -0.390 0.000 1.353 199 I CB -0.771 36.830 38.000 -0.665 0.000 1.054 199 I HN 0.208 nan 8.210 nan 0.000 0.407 200 N N 1.028 119.655 118.700 -0.121 0.000 2.184 200 N HA -0.195 4.545 4.740 -0.000 0.000 0.190 200 N C 1.047 176.550 175.510 -0.012 0.000 1.011 200 N CA 1.237 54.264 53.050 -0.039 0.000 0.867 200 N CB -0.560 37.907 38.487 -0.035 0.000 0.993 200 N HN 0.440 nan 8.380 nan 0.000 0.433 201 N N -0.654 118.029 118.700 -0.027 0.000 2.268 201 N HA 0.001 4.741 4.740 -0.000 0.000 0.204 201 N C -0.346 175.167 175.510 0.005 0.000 1.124 201 N CA 0.090 53.135 53.050 -0.009 0.000 0.838 201 N CB 0.490 38.966 38.487 -0.017 0.000 0.994 201 N HN -0.042 nan 8.380 nan 0.000 0.489 202 S N 1.946 117.659 115.700 0.021 0.000 2.434 202 S HA 0.073 4.543 4.470 -0.000 0.000 0.318 202 S C 1.408 176.065 174.600 0.094 0.000 1.062 202 S CA -0.661 57.572 58.200 0.055 0.000 1.116 202 S CB 0.616 63.859 63.200 0.071 0.000 0.977 202 S HN 0.177 nan 8.310 nan 0.000 0.480 203 E N 4.761 124.994 120.200 0.055 0.000 2.068 203 E HA -0.304 4.046 4.350 -0.000 0.000 0.207 203 E C 1.389 178.020 176.600 0.052 0.000 1.032 203 E CA 2.110 58.536 56.400 0.044 0.000 0.839 203 E CB -0.912 28.801 29.700 0.023 0.000 0.758 203 E HN 0.851 nan 8.360 nan 0.000 0.457 204 E N -0.238 119.995 120.200 0.054 0.000 2.086 204 E HA -0.201 4.149 4.350 -0.000 0.000 0.200 204 E C 2.044 178.676 176.600 0.054 0.000 1.012 204 E CA 1.832 58.258 56.400 0.044 0.000 0.812 204 E CB -0.427 29.303 29.700 0.050 0.000 0.743 204 E HN 0.358 nan 8.360 nan 0.000 0.453 205 F N 0.352 120.285 119.950 -0.027 0.000 2.113 205 F HA -0.066 4.461 4.527 -0.000 0.000 0.297 205 F C 2.067 177.851 175.800 -0.026 0.000 1.103 205 F CA 1.366 59.348 58.000 -0.030 0.000 1.248 205 F CB -0.461 38.517 39.000 -0.036 0.000 0.999 205 F HN 0.085 nan 8.300 nan 0.000 0.475 206 A N 0.368 123.272 122.820 0.140 0.000 1.948 206 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 206 A C 2.346 179.887 177.584 -0.072 0.000 1.177 206 A CA 2.020 54.083 52.037 0.044 0.000 0.636 206 A CB -1.521 17.520 19.000 0.068 0.000 0.815 206 A HN 0.518 nan 8.150 nan 0.000 0.449 207 A N -0.372 122.407 122.820 -0.069 0.000 1.872 207 A HA 0.268 4.588 4.320 -0.000 0.000 0.214 207 A C 2.535 180.036 177.584 -0.137 0.000 1.187 207 A CA 1.817 53.806 52.037 -0.080 0.000 0.614 207 A CB -1.122 17.851 19.000 -0.046 0.000 0.826 207 A HN 1.112 nan 8.150 nan 0.000 0.442 208 A N -0.539 122.159 122.820 -0.203 0.000 1.917 208 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 208 A C 2.257 179.660 177.584 -0.302 0.000 1.182 208 A CA 2.008 53.891 52.037 -0.255 0.000 0.633 208 A CB -0.970 17.832 19.000 -0.330 0.000 0.819 208 A HN 0.392 nan 8.150 nan 0.000 0.448 209 V N 0.088 119.751 119.914 -0.417 0.000 2.307 209 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 209 V C 2.556 178.552 176.094 -0.162 0.000 1.045 209 V CA 2.301 64.402 62.300 -0.332 0.000 1.024 209 V CB -0.537 31.066 31.823 -0.367 0.000 0.651 209 V HN 0.706 nan 8.190 nan 0.000 0.449 210 K N -0.019 120.307 120.400 -0.124 0.000 2.074 210 K HA -0.304 4.016 4.320 -0.000 0.000 0.209 210 K C 2.194 178.755 176.600 -0.065 0.000 1.048 210 K CA 1.820 58.064 56.287 -0.072 0.000 0.926 210 K CB -0.096 32.372 32.500 -0.054 0.000 0.713 210 K HN 0.247 nan 8.250 nan 0.000 0.444 211 K N 0.885 121.238 120.400 -0.079 0.000 2.015 211 K HA -0.156 4.164 4.320 -0.000 0.000 0.220 211 K C 1.687 178.255 176.600 -0.053 0.000 1.055 211 K CA 1.923 58.172 56.287 -0.063 0.000 0.951 211 K CB -0.216 32.240 32.500 -0.073 0.000 0.725 211 K HN 0.223 nan 8.250 nan 0.000 0.449 212 R N -0.141 120.318 120.500 -0.067 0.000 2.362 212 R HA 0.052 4.392 4.340 -0.000 0.000 0.204 212 R C 0.782 177.066 176.300 -0.027 0.000 1.088 212 R CA 0.785 56.858 56.100 -0.046 0.000 1.121 212 R CB -0.450 29.816 30.300 -0.057 0.000 0.954 212 R HN 0.543 nan 8.270 nan 0.000 0.478 213 G N 1.163 109.947 108.800 -0.027 0.000 2.141 213 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.242 213 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.242 213 G C -0.013 174.880 174.900 -0.011 0.000 0.982 213 G CA -0.358 44.734 45.100 -0.014 0.000 0.662 213 G HN 0.250 nan 8.290 nan 0.000 0.527 214 I N 1.905 122.463 120.570 -0.019 0.000 2.312 214 I HA 0.382 4.552 4.170 -0.000 0.000 0.291 214 I C 1.852 177.961 176.117 -0.013 0.000 1.031 214 I CA 0.653 61.946 61.300 -0.012 0.000 1.293 214 I CB 1.572 39.565 38.000 -0.012 0.000 1.403 214 I HN 0.275 nan 8.210 nan 0.000 0.484 215 T N 0.689 115.239 114.554 -0.007 0.000 2.937 215 T HA -0.003 4.347 4.350 -0.000 0.000 0.260 215 T C 0.679 175.378 174.700 -0.003 0.000 1.051 215 T CA 0.499 62.595 62.100 -0.006 0.000 1.141 215 T CB 0.004 68.869 68.868 -0.005 0.000 0.879 215 T HN 0.452 nan 8.240 nan 0.000 0.459 216 D N 0.790 121.191 120.400 0.001 0.000 2.440 216 D HA 0.600 5.240 4.640 -0.000 0.000 0.239 216 D C 0.714 177.023 176.300 0.015 0.000 1.084 216 D CA -0.441 53.563 54.000 0.006 0.000 0.843 216 D CB 1.496 42.299 40.800 0.004 0.000 1.097 216 D HN 0.229 nan 8.370 nan 0.000 0.531 217 A N 4.308 127.142 122.820 0.023 0.000 2.209 217 A HA -0.055 4.265 4.320 -0.000 0.000 0.212 217 A C 1.548 179.162 177.584 0.050 0.000 1.158 217 A CA 0.672 52.738 52.037 0.049 0.000 0.742 217 A CB -0.099 18.940 19.000 0.066 0.000 0.790 217 A HN 0.545 nan 8.150 nan 0.000 0.472 218 K N -0.326 120.090 120.400 0.027 0.000 2.444 218 K HA 0.072 4.392 4.320 -0.000 0.000 0.193 218 K C 0.678 177.281 176.600 0.005 0.000 1.024 218 K CA 0.398 56.693 56.287 0.014 0.000 1.077 218 K CB 0.163 32.668 32.500 0.007 0.000 0.833 218 K HN 0.288 nan 8.250 nan 0.000 0.517 219 K N 1.166 121.573 120.400 0.011 0.000 2.446 219 K HA 0.135 4.455 4.320 -0.000 0.000 0.203 219 K C -0.476 176.131 176.600 0.012 0.000 1.027 219 K CA -0.109 56.181 56.287 0.005 0.000 1.166 219 K CB 0.873 33.377 32.500 0.006 0.000 0.869 219 K HN -0.146 nan 8.250 nan 0.000 0.504 220 V N 2.570 122.497 119.914 0.021 0.000 2.394 220 V HA 0.250 4.370 4.120 -0.000 0.000 0.282 220 V C -0.208 175.872 176.094 -0.023 0.000 1.031 220 V CA -0.695 61.630 62.300 0.042 0.000 0.881 220 V CB 1.409 33.303 31.823 0.117 0.000 0.982 220 V HN 0.133 nan 8.190 nan 0.000 0.451 221 I N 4.825 125.354 120.570 -0.068 0.000 2.354 221 I HA 0.364 4.534 4.170 -0.000 0.000 0.292 221 I C 0.686 176.715 176.117 -0.147 0.000 0.989 221 I CA -0.086 61.072 61.300 -0.238 0.000 1.188 221 I CB 1.963 39.572 38.000 -0.651 0.000 1.342 221 I HN 0.674 nan 8.210 nan 0.000 0.457 222 T N 1.778 116.243 114.554 -0.148 0.000 2.918 222 T HA 0.494 4.844 4.350 -0.000 0.000 0.283 222 T C 0.070 174.758 174.700 -0.021 0.000 1.001 222 T CA -0.619 61.433 62.100 -0.080 0.000 1.041 222 T CB 2.118 70.912 68.868 -0.124 0.000 1.028 222 T HN 0.586 nan 8.240 nan 0.000 0.511 223 T N 3.037 117.623 114.554 0.054 0.000 2.991 223 T HA 0.546 4.896 4.350 -0.000 0.000 0.303 223 T C -3.029 171.699 174.700 0.047 0.000 1.015 223 T CA -1.579 60.609 62.100 0.147 0.000 1.007 223 T CB 1.552 70.632 68.868 0.355 0.000 1.034 223 T HN 0.564 nan 8.240 nan 0.000 0.446 224 P HA 0.513 nan 4.420 nan 0.000 0.293 224 P C -1.143 176.127 177.300 -0.050 0.000 1.300 224 P CA -0.577 62.422 63.100 -0.169 0.000 0.792 224 P CB 1.031 32.447 31.700 -0.474 0.000 0.925 225 L N 2.671 123.864 121.223 -0.050 0.000 2.381 225 L HA 0.434 4.774 4.340 -0.000 0.000 0.268 225 L C 0.908 177.753 176.870 -0.043 0.000 0.997 225 L CA -0.809 54.015 54.840 -0.027 0.000 0.818 225 L CB 2.395 44.477 42.059 0.039 0.000 1.310 225 L HN 0.342 nan 8.230 nan 0.000 0.416 226 T N -1.340 113.186 114.554 -0.046 0.000 2.898 226 T HA 0.163 4.513 4.350 -0.000 0.000 0.301 226 T C 0.962 175.678 174.700 0.026 0.000 1.049 226 T CA -0.520 61.543 62.100 -0.061 0.000 1.095 226 T CB 1.522 70.343 68.868 -0.079 0.000 0.976 226 T HN 0.505 nan 8.240 nan 0.000 0.539 227 V N -1.143 118.756 119.914 -0.025 0.000 3.660 227 V HA 0.553 4.673 4.120 -0.000 0.000 0.276 227 V C 1.217 177.417 176.094 0.176 0.000 1.317 227 V CA 0.628 62.916 62.300 -0.021 0.000 1.097 227 V CB -1.483 30.239 31.823 -0.170 0.000 0.863 227 V HN 1.642 nan 8.190 nan 0.000 0.438 228 G N 0.363 109.234 108.800 0.117 0.000 2.553 228 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.242 228 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.242 228 G C -0.730 174.216 174.900 0.076 0.000 1.277 228 G CA 0.379 45.543 45.100 0.107 0.000 0.910 228 G HN 1.447 nan 8.290 nan 0.000 0.576 229 Y N -0.735 119.372 120.300 -0.321 0.000 2.441 229 Y HA 0.651 5.201 4.550 -0.000 0.000 0.334 229 Y C -0.613 174.770 175.900 -0.861 0.000 1.061 229 Y CA -1.482 56.362 58.100 -0.427 0.000 1.032 229 Y CB 1.337 39.513 38.460 -0.473 0.000 1.266 229 Y HN 0.574 nan 8.280 nan 0.000 0.441 230 F N 3.611 122.881 119.950 -1.133 0.000 2.811 230 F HA 0.233 4.760 4.527 -0.000 0.000 0.342 230 F C 0.404 175.481 175.800 -1.206 0.000 1.203 230 F CA -0.701 56.665 58.000 -1.056 0.000 1.173 230 F CB 0.383 39.189 39.000 -0.324 0.000 1.094 230 F HN 0.554 nan 8.300 nan 0.000 0.510 231 D N 1.160 120.416 120.400 -1.906 0.000 2.751 231 D HA -0.193 4.447 4.640 -0.000 0.000 0.233 231 D C 1.473 177.530 176.300 -0.406 0.000 1.149 231 D CA 1.648 55.058 54.000 -0.983 0.000 0.682 231 D CB -0.907 39.666 40.800 -0.378 0.000 1.068 231 D HN 0.774 nan 8.370 nan 0.000 0.429 232 G N -0.485 108.087 108.800 -0.380 0.000 2.268 232 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.240 232 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.240 232 G C 1.228 176.056 174.900 -0.120 0.000 1.010 232 G CA 0.637 45.635 45.100 -0.171 0.000 0.618 232 G HN 0.410 nan 8.290 nan 0.000 0.516 233 K N 1.375 121.715 120.400 -0.101 0.000 2.362 233 K HA -0.067 4.253 4.320 -0.000 0.000 0.202 233 K C 1.829 178.341 176.600 -0.148 0.000 1.045 233 K CA 1.735 57.972 56.287 -0.083 0.000 0.936 233 K CB -0.289 32.195 32.500 -0.027 0.000 0.747 233 K HN 0.778 nan 8.250 nan 0.000 0.467 234 D N -0.989 119.319 120.400 -0.153 0.000 2.350 234 D HA 0.043 4.683 4.640 -0.000 0.000 0.213 234 D C 1.081 177.314 176.300 -0.112 0.000 1.031 234 D CA 0.714 54.614 54.000 -0.167 0.000 0.861 234 D CB -0.091 40.603 40.800 -0.176 0.000 0.926 234 D HN 0.174 nan 8.370 nan 0.000 0.520 235 G N 0.588 109.329 108.800 -0.098 0.000 2.147 235 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.244 235 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.244 235 G C -0.160 174.698 174.900 -0.070 0.000 1.005 235 G CA 0.216 45.270 45.100 -0.076 0.000 0.713 235 G HN 0.392 nan 8.290 nan 0.000 0.515 236 L N 0.797 121.976 121.223 -0.074 0.000 2.287 236 L HA 0.427 4.767 4.340 -0.000 0.000 0.287 236 L C 0.996 177.843 176.870 -0.038 0.000 1.022 236 L CA -1.051 53.752 54.840 -0.063 0.000 0.814 236 L CB 1.575 43.589 42.059 -0.075 0.000 1.217 236 L HN 0.286 nan 8.230 nan 0.000 0.420 237 K N 2.649 123.035 120.400 -0.024 0.000 2.382 237 K HA -0.030 4.290 4.320 -0.000 0.000 0.275 237 K C 0.494 177.113 176.600 0.031 0.000 1.009 237 K CA -0.162 56.125 56.287 -0.000 0.000 0.970 237 K CB 1.317 33.814 32.500 -0.005 0.000 0.934 237 K HN 0.524 nan 8.250 nan 0.000 0.479 238 Q N 2.303 122.139 119.800 0.060 0.000 2.123 238 Q HA -0.144 4.196 4.340 -0.000 0.000 0.199 238 Q C 0.703 176.794 176.000 0.151 0.000 0.966 238 Q CA 2.363 58.235 55.803 0.114 0.000 0.845 238 Q CB 0.012 28.831 28.738 0.135 0.000 0.907 238 Q HN 0.910 nan 8.270 nan 0.000 0.439 239 D N -1.148 119.296 120.400 0.074 0.000 2.340 239 D HA 0.185 4.825 4.640 -0.000 0.000 0.220 239 D C -0.121 176.164 176.300 -0.026 0.000 1.039 239 D CA 0.290 54.296 54.000 0.011 0.000 0.866 239 D CB 0.152 40.941 40.800 -0.018 0.000 0.913 239 D HN 0.239 nan 8.370 nan 0.000 0.523 240 A N 0.686 123.526 122.820 0.034 0.000 2.310 240 A HA 0.457 4.777 4.320 -0.000 0.000 0.299 240 A C 0.013 177.621 177.584 0.040 0.000 1.147 240 A CA -0.839 51.195 52.037 -0.006 0.000 0.818 240 A CB 0.593 19.583 19.000 -0.017 0.000 1.096 240 A HN 0.242 nan 8.150 nan 0.000 0.495 241 R N 2.383 122.864 120.500 -0.032 0.000 2.248 241 R HA 0.526 4.866 4.340 -0.000 0.000 0.328 241 R C -1.253 175.023 176.300 -0.039 0.000 1.067 241 R CA 0.071 56.166 56.100 -0.008 0.000 0.924 241 R CB -0.067 30.181 30.300 -0.087 0.000 1.013 241 R HN 0.708 nan 8.270 nan 0.000 0.454 242 L N 5.274 126.472 121.223 -0.041 0.000 2.350 242 L HA 0.648 4.988 4.340 -0.000 0.000 0.260 242 L C -0.816 175.982 176.870 -0.120 0.000 1.015 242 L CA -1.148 53.639 54.840 -0.088 0.000 0.821 242 L CB 2.140 44.144 42.059 -0.092 0.000 1.370 242 L HN 0.520 nan 8.230 nan 0.000 0.416 243 L N 1.087 122.224 121.223 -0.142 0.000 2.466 243 L HA 0.498 4.838 4.340 -0.000 0.000 0.258 243 L C -0.966 175.797 176.870 -0.177 0.000 0.973 243 L CA -0.760 53.985 54.840 -0.159 0.000 0.826 243 L CB 2.974 44.931 42.059 -0.169 0.000 1.372 243 L HN 0.519 nan 8.230 nan 0.000 0.409 244 K N 1.226 121.513 120.400 -0.188 0.000 2.123 244 K HA 0.692 5.012 4.320 -0.000 0.000 0.259 244 K C -1.272 175.255 176.600 -0.120 0.000 0.960 244 K CA -0.727 55.428 56.287 -0.220 0.000 0.872 244 K CB 2.561 34.796 32.500 -0.442 0.000 1.079 244 K HN 0.209 nan 8.250 nan 0.000 0.440 245 V N 4.551 124.398 119.914 -0.112 0.000 2.409 245 V HA 0.317 4.437 4.120 -0.000 0.000 0.291 245 V C -0.151 175.913 176.094 -0.051 0.000 1.020 245 V CA -0.947 61.300 62.300 -0.088 0.000 0.848 245 V CB 1.225 32.960 31.823 -0.147 0.000 0.990 245 V HN 0.600 nan 8.190 nan 0.000 0.430 246 I N 3.201 123.746 120.570 -0.041 0.000 2.566 246 I HA 0.576 4.746 4.170 -0.000 0.000 0.303 246 I C 0.486 176.520 176.117 -0.139 0.000 0.983 246 I CA 0.151 61.380 61.300 -0.118 0.000 1.235 246 I CB 1.935 39.837 38.000 -0.164 0.000 1.386 246 I HN 0.601 nan 8.210 nan 0.000 0.494 247 S N 4.162 119.695 115.700 -0.278 0.000 2.568 247 S HA 0.798 5.268 4.470 -0.000 0.000 0.293 247 S C -1.297 173.030 174.600 -0.456 0.000 1.089 247 S CA -0.482 57.610 58.200 -0.180 0.000 0.945 247 S CB 2.107 65.344 63.200 0.062 0.000 1.077 247 S HN 0.363 nan 8.310 nan 0.000 0.485 248 Y N 0.182 120.504 120.300 0.037 0.000 2.615 248 Y HA 0.626 5.176 4.550 -0.000 0.000 0.341 248 Y C -0.837 175.112 175.900 0.082 0.000 1.089 248 Y CA -1.103 57.059 58.100 0.103 0.000 1.049 248 Y CB 0.984 39.550 38.460 0.178 0.000 1.296 248 Y HN 0.497 nan 8.280 nan 0.000 0.470 249 L N 2.481 123.895 121.223 0.320 0.000 2.265 249 L HA 0.438 4.778 4.340 -0.000 0.000 0.289 249 L C -0.594 176.385 176.870 0.182 0.000 1.033 249 L CA -0.335 54.615 54.840 0.185 0.000 0.814 249 L CB 0.464 42.598 42.059 0.125 0.000 1.203 249 L HN 0.583 nan 8.230 nan 0.000 0.423 250 D N 3.491 123.954 120.400 0.105 0.000 2.358 250 D HA 0.080 4.720 4.640 -0.000 0.000 0.258 250 D C 0.679 176.983 176.300 0.007 0.000 1.223 250 D CA 0.200 54.253 54.000 0.089 0.000 0.886 250 D CB 1.146 41.967 40.800 0.035 0.000 1.120 250 D HN 0.390 nan 8.370 nan 0.000 0.482 251 V N 1.572 121.456 119.914 -0.049 0.000 3.214 251 V HA 0.488 4.608 4.120 -0.000 0.000 0.330 251 V C 1.191 177.257 176.094 -0.046 0.000 1.403 251 V CA 0.327 62.559 62.300 -0.112 0.000 1.143 251 V CB -0.026 31.620 31.823 -0.294 0.000 1.098 251 V HN 0.714 nan 8.190 nan 0.000 0.463 252 G N 2.103 110.902 108.800 -0.001 0.000 2.157 252 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.248 252 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.248 252 G C 0.282 175.183 174.900 0.002 0.000 0.979 252 G CA 0.580 45.681 45.100 0.001 0.000 0.650 252 G HN 0.842 nan 8.290 nan 0.000 0.529 253 D N -0.359 120.061 120.400 0.032 0.000 2.339 253 D HA 0.380 5.020 4.640 -0.000 0.000 0.217 253 D C 1.823 178.081 176.300 -0.069 0.000 1.050 253 D CA 0.650 54.656 54.000 0.010 0.000 0.856 253 D CB -0.520 40.337 40.800 0.095 0.000 0.922 253 D HN 1.555 nan 8.370 nan 0.000 0.518 254 G N 0.665 109.444 108.800 -0.034 0.000 2.143 254 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.249 254 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.249 254 G C 0.153 174.994 174.900 -0.097 0.000 0.981 254 G CA 0.162 45.203 45.100 -0.099 0.000 0.665 254 G HN 0.558 nan 8.290 nan 0.000 0.528 255 N N -0.084 118.630 118.700 0.023 0.000 2.711 255 N HA 0.326 5.066 4.740 -0.000 0.000 0.263 255 N C 1.046 176.591 175.510 0.057 0.000 1.667 255 N CA -0.396 52.695 53.050 0.068 0.000 0.785 255 N CB -0.158 38.367 38.487 0.064 0.000 1.231 255 N HN 0.384 nan 8.380 nan 0.000 0.503 256 Y N -0.785 119.511 120.300 -0.007 0.000 2.384 256 Y HA 0.010 4.560 4.550 0.000 0.000 0.289 256 Y C 1.108 176.876 175.900 -0.220 0.000 1.152 256 Y CA 0.577 58.654 58.100 -0.040 0.000 1.258 256 Y CB -0.661 37.675 38.460 -0.206 0.000 0.979 256 Y HN 0.236 nan 8.280 nan 0.000 0.549 257 W N 1.142 122.128 121.300 -0.522 0.000 2.421 257 W HA 0.011 4.671 4.660 0.000 0.000 0.270 257 W C 2.297 178.836 176.519 0.033 0.000 1.233 257 W CA 1.260 58.324 57.345 -0.468 0.000 1.226 257 W CB -0.309 28.903 29.460 -0.414 0.000 1.121 257 W HN 0.184 nan 8.180 nan 0.000 0.579 258 A N -0.684 122.180 122.820 0.073 0.000 2.251 258 A HA 0.035 4.355 4.320 -0.000 0.000 0.209 258 A C 0.191 177.621 177.584 -0.258 0.000 1.187 258 A CA 0.458 52.530 52.037 0.058 0.000 0.823 258 A CB -0.623 18.279 19.000 -0.164 0.000 0.846 258 A HN 0.307 nan 8.150 nan 0.000 0.486 259 H N 0.232 119.562 119.070 0.434 0.000 2.379 259 H HA 0.252 4.808 4.556 -0.000 0.000 0.229 259 H C -3.063 172.503 175.328 0.395 0.000 1.423 259 H CA -2.106 54.154 56.048 0.354 0.000 1.375 259 H CB 0.050 29.973 29.762 0.267 0.000 1.592 259 H HN 0.307 nan 8.280 nan 0.000 0.507 260 P HA 0.189 nan 4.420 nan 0.000 0.274 260 P C 0.295 177.635 177.300 0.067 0.000 1.231 260 P CA -0.411 62.783 63.100 0.156 0.000 0.790 260 P CB 1.780 33.584 31.700 0.173 0.000 0.951 261 I N 1.637 122.164 120.570 -0.071 0.000 2.361 261 I HA 0.194 4.364 4.170 -0.000 0.000 0.282 261 I C 0.863 176.958 176.117 -0.037 0.000 1.075 261 I CA -0.565 60.718 61.300 -0.028 0.000 1.205 261 I CB 0.389 38.366 38.000 -0.038 0.000 1.406 261 I HN 0.247 nan 8.210 nan 0.000 0.481 262 E N 5.612 125.826 120.200 0.023 0.000 2.383 262 E HA 0.125 4.475 4.350 -0.000 0.000 0.264 262 E C 0.480 177.110 176.600 0.049 0.000 1.050 262 E CA 0.511 56.950 56.400 0.065 0.000 0.896 262 E CB 0.360 30.133 29.700 0.122 0.000 0.982 262 E HN 0.457 nan 8.360 nan 0.000 0.424 263 N N 1.194 119.938 118.700 0.074 0.000 2.878 263 N HA -0.232 4.508 4.740 -0.000 0.000 0.247 263 N C -0.928 174.597 175.510 0.024 0.000 1.021 263 N CA 0.588 53.679 53.050 0.068 0.000 0.873 263 N CB -1.363 37.164 38.487 0.066 0.000 1.128 263 N HN 0.303 nan 8.380 nan 0.000 0.571 264 L N 0.971 122.192 121.223 -0.003 0.000 2.294 264 L HA 0.566 4.906 4.340 -0.000 0.000 0.283 264 L C -0.707 176.171 176.870 0.014 0.000 1.015 264 L CA -0.739 54.093 54.840 -0.012 0.000 0.831 264 L CB 1.709 43.736 42.059 -0.053 0.000 1.217 264 L HN -0.083 nan 8.230 nan 0.000 0.420 265 V N 4.555 124.485 119.914 0.026 0.000 2.540 265 V HA 0.883 5.002 4.120 -0.000 0.000 0.302 265 V C 0.129 176.238 176.094 0.025 0.000 1.035 265 V CA -0.438 61.870 62.300 0.014 0.000 0.873 265 V CB 1.429 33.239 31.823 -0.022 0.000 0.992 265 V HN 0.914 nan 8.190 nan 0.000 0.428 266 A N 4.166 126.998 122.820 0.020 0.000 2.337 266 A HA 0.886 5.206 4.320 -0.000 0.000 0.329 266 A C -0.786 176.736 177.584 -0.103 0.000 1.146 266 A CA -0.588 51.445 52.037 -0.007 0.000 0.800 266 A CB 1.623 20.628 19.000 0.007 0.000 1.220 266 A HN 0.679 nan 8.150 nan 0.000 0.472 267 V N 2.554 122.405 119.914 -0.106 0.000 2.398 267 V HA 0.432 4.552 4.120 -0.000 0.000 0.286 267 V C -0.295 175.729 176.094 -0.117 0.000 1.026 267 V CA -0.478 61.738 62.300 -0.140 0.000 0.868 267 V CB 1.353 33.090 31.823 -0.143 0.000 0.982 267 V HN 0.629 nan 8.190 nan 0.000 0.443 268 V N 3.787 123.623 119.914 -0.129 0.000 2.459 268 V HA 0.399 4.519 4.120 -0.000 0.000 0.295 268 V C -0.321 175.711 176.094 -0.104 0.000 1.029 268 V CA -0.524 61.707 62.300 -0.116 0.000 0.874 268 V CB 1.965 33.708 31.823 -0.134 0.000 0.985 268 V HN 0.907 nan 8.190 nan 0.000 0.438 269 D N 4.020 124.368 120.400 -0.087 0.000 2.317 269 D HA 0.286 4.926 4.640 -0.000 0.000 0.234 269 D C 0.667 176.920 176.300 -0.079 0.000 1.112 269 D CA -0.198 53.756 54.000 -0.078 0.000 0.840 269 D CB 1.809 42.571 40.800 -0.064 0.000 1.078 269 D HN 0.395 nan 8.370 nan 0.000 0.486 270 L N 3.069 124.241 121.223 -0.085 0.000 2.313 270 L HA -0.005 4.335 4.340 -0.000 0.000 0.214 270 L C 2.147 178.971 176.870 -0.076 0.000 1.119 270 L CA 0.526 55.316 54.840 -0.084 0.000 0.809 270 L CB 0.088 42.090 42.059 -0.094 0.000 0.933 270 L HN 0.364 nan 8.230 nan 0.000 0.449 271 E N -0.002 120.150 120.200 -0.080 0.000 2.122 271 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 271 E C 2.039 178.607 176.600 -0.054 0.000 0.977 271 E CA 0.785 57.141 56.400 -0.074 0.000 0.820 271 E CB 0.046 29.691 29.700 -0.092 0.000 0.770 271 E HN 0.568 nan 8.360 nan 0.000 0.462 272 Q N 0.577 120.345 119.800 -0.052 0.000 2.378 272 Q HA 0.015 4.355 4.340 -0.000 0.000 0.205 272 Q C -0.214 175.762 176.000 -0.041 0.000 0.954 272 Q CA 0.152 55.930 55.803 -0.042 0.000 0.901 272 Q CB 0.056 28.770 28.738 -0.041 0.000 0.981 272 Q HN 0.082 nan 8.270 nan 0.000 0.483 273 K N 1.850 122.221 120.400 -0.049 0.000 3.653 273 K HA -0.199 4.121 4.320 -0.000 0.000 0.275 273 K C -0.655 175.915 176.600 -0.049 0.000 0.962 273 K CA 0.816 57.073 56.287 -0.050 0.000 0.773 273 K CB -1.474 31.003 32.500 -0.038 0.000 1.463 273 K HN 0.349 nan 8.250 nan 0.000 0.450 274 K N -0.664 119.702 120.400 -0.056 0.000 2.642 274 K HA 0.333 4.653 4.320 -0.000 0.000 0.290 274 K C -0.585 175.977 176.600 -0.062 0.000 1.006 274 K CA -1.052 55.203 56.287 -0.055 0.000 0.869 274 K CB 1.061 33.537 32.500 -0.039 0.000 1.499 274 K HN 0.046 nan 8.250 nan 0.000 0.403 275 I N 2.590 123.125 120.570 -0.059 0.000 2.598 275 I HA -0.035 4.135 4.170 -0.000 0.000 0.284 275 I C 1.234 177.326 176.117 -0.041 0.000 1.140 275 I CA -0.297 60.970 61.300 -0.054 0.000 1.420 275 I CB 0.884 38.866 38.000 -0.029 0.000 1.387 275 I HN 0.559 nan 8.210 nan 0.000 0.553 276 V N 2.671 122.555 119.914 -0.050 0.000 3.276 276 V HA 0.403 4.523 4.120 -0.000 0.000 0.319 276 V C 0.134 176.203 176.094 -0.042 0.000 1.427 276 V CA -0.094 62.180 62.300 -0.043 0.000 1.102 276 V CB -0.331 31.463 31.823 -0.049 0.000 1.020 276 V HN 0.899 nan 8.190 nan 0.000 0.456 277 K N 0.576 120.953 120.400 -0.038 0.000 2.663 277 K HA 0.486 4.806 4.320 -0.000 0.000 0.267 277 K C -2.148 174.438 176.600 -0.023 0.000 1.004 277 K CA -0.563 55.702 56.287 -0.036 0.000 0.947 277 K CB 1.844 34.311 32.500 -0.056 0.000 1.372 277 K HN 0.258 nan 8.250 nan 0.000 0.411 278 I N 3.818 124.385 120.570 -0.006 0.000 2.406 278 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 278 I C -0.401 175.712 176.117 -0.005 0.000 0.999 278 I CA -0.729 60.580 61.300 0.014 0.000 1.124 278 I CB 1.935 39.956 38.000 0.036 0.000 1.289 278 I HN 0.530 nan 8.210 nan 0.000 0.441 279 E N 6.661 126.857 120.200 -0.007 0.000 2.191 279 E HA 0.485 4.835 4.350 -0.000 0.000 0.278 279 E C -1.104 175.498 176.600 0.003 0.000 0.972 279 E CA -0.744 55.654 56.400 -0.003 0.000 0.804 279 E CB 1.873 31.574 29.700 0.001 0.000 1.110 279 E HN 0.500 nan 8.360 nan 0.000 0.394 280 E N 1.395 121.596 120.200 0.001 0.000 2.275 280 E HA 0.521 4.871 4.350 -0.000 0.000 0.270 280 E C -0.549 176.055 176.600 0.008 0.000 0.882 280 E CA -0.830 55.567 56.400 -0.005 0.000 0.758 280 E CB 2.252 31.937 29.700 -0.026 0.000 1.195 280 E HN 0.567 nan 8.360 nan 0.000 0.419 281 G N 1.919 110.729 108.800 0.017 0.000 3.108 281 G HA2 0.585 4.545 3.960 -0.000 0.000 0.268 281 G HA3 0.585 4.545 3.960 -0.000 0.000 0.268 281 G C -2.692 172.220 174.900 0.020 0.000 1.361 281 G CA -1.633 43.484 45.100 0.028 0.000 1.047 281 G HN 0.230 nan 8.290 nan 0.000 0.540 282 P HA 0.139 nan 4.420 nan 0.000 0.261 282 P C 0.049 177.360 177.300 0.018 0.000 1.173 282 P CA -0.242 62.870 63.100 0.020 0.000 0.760 282 P CB 0.532 32.249 31.700 0.027 0.000 0.783 283 V N 4.723 124.641 119.914 0.007 0.000 2.529 283 V HA 0.033 4.153 4.120 -0.000 0.000 0.292 283 V C 0.591 176.694 176.094 0.015 0.000 1.028 283 V CA 0.245 62.548 62.300 0.004 0.000 1.074 283 V CB 0.612 32.432 31.823 -0.005 0.000 0.958 283 V HN 0.231 nan 8.190 nan 0.000 0.481 284 V N 7.351 127.278 119.914 0.023 0.000 2.444 284 V HA 0.359 4.479 4.120 -0.000 0.000 0.294 284 V C -2.222 173.893 176.094 0.036 0.000 1.022 284 V CA -1.901 60.419 62.300 0.034 0.000 0.850 284 V CB 1.766 33.618 31.823 0.048 0.000 0.992 284 V HN 0.775 nan 8.190 nan 0.000 0.426 285 P HA 0.078 nan 4.420 nan 0.000 0.264 285 P C -0.229 177.108 177.300 0.063 0.000 1.193 285 P CA 0.019 63.143 63.100 0.040 0.000 0.763 285 P CB 0.336 32.059 31.700 0.037 0.000 0.810 286 V N 6.644 126.599 119.914 0.069 0.000 2.599 286 V HA 0.036 4.156 4.120 -0.000 0.000 0.300 286 V C -1.782 174.397 176.094 0.142 0.000 1.034 286 V CA -0.880 61.486 62.300 0.109 0.000 1.115 286 V CB -0.274 31.612 31.823 0.106 0.000 0.934 286 V HN 0.571 nan 8.190 nan 0.000 0.485 287 P HA 0.240 nan 4.420 nan 0.000 0.271 287 P C 0.394 177.882 177.300 0.314 0.000 1.216 287 P CA -0.128 63.111 63.100 0.232 0.000 0.771 287 P CB 0.605 32.453 31.700 0.245 0.000 0.864 288 M N -0.296 119.440 119.600 0.227 0.000 2.638 288 M HA 0.066 4.546 4.480 -0.000 0.000 0.256 288 M C 0.305 176.695 176.300 0.151 0.000 1.282 288 M CA 0.697 56.073 55.300 0.128 0.000 1.155 288 M CB -0.820 31.816 32.600 0.059 0.000 1.345 288 M HN 0.181 nan 8.290 nan 0.000 0.523 289 T N 2.751 117.442 114.554 0.228 0.000 2.866 289 T HA 0.213 4.563 4.350 -0.000 0.000 0.293 289 T C 0.493 175.374 174.700 0.301 0.000 1.005 289 T CA -0.156 62.076 62.100 0.220 0.000 1.162 289 T CB 0.161 69.167 68.868 0.230 0.000 0.968 289 T HN 0.366 nan 8.240 nan 0.000 0.530 290 A N 4.776 127.710 122.820 0.190 0.000 2.580 290 A HA 0.164 4.484 4.320 -0.000 0.000 0.244 290 A C 0.834 178.519 177.584 0.168 0.000 1.045 290 A CA 0.131 52.274 52.037 0.178 0.000 0.761 290 A CB 0.082 19.132 19.000 0.084 0.000 0.962 290 A HN 0.703 nan 8.150 nan 0.000 0.512 291 R N 3.238 123.833 120.500 0.158 0.000 2.653 291 R HA 0.263 4.603 4.340 -0.000 0.000 0.269 291 R C -3.030 173.238 176.300 -0.052 0.000 1.603 291 R CA -1.400 54.721 56.100 0.036 0.000 1.671 291 R CB 1.067 31.376 30.300 0.015 0.000 1.300 291 R HN 0.573 nan 8.270 nan 0.000 0.668 292 P HA 0.193 nan 4.420 nan 0.000 0.276 292 P C 0.035 177.230 177.300 -0.174 0.000 1.252 292 P CA -0.262 62.717 63.100 -0.203 0.000 0.802 292 P CB 0.438 32.026 31.700 -0.188 0.000 1.035 293 F N -1.548 118.330 119.950 -0.120 0.000 2.838 293 F HA 0.299 4.826 4.527 -0.000 0.000 0.329 293 F C 0.580 176.320 175.800 -0.100 0.000 1.116 293 F CA -0.559 57.354 58.000 -0.145 0.000 1.155 293 F CB -0.855 38.022 39.000 -0.204 0.000 1.106 293 F HN 0.067 nan 8.300 nan 0.000 0.538 294 D N -0.156 120.079 120.400 -0.275 0.000 2.340 294 D HA 0.285 4.925 4.640 -0.000 0.000 0.217 294 D C 1.854 178.121 176.300 -0.055 0.000 1.081 294 D CA 0.422 54.352 54.000 -0.116 0.000 0.842 294 D CB 0.086 40.745 40.800 -0.234 0.000 0.934 294 D HN 0.480 nan 8.370 nan 0.000 0.511 295 G N 1.920 110.692 108.800 -0.046 0.000 2.199 295 G HA2 -0.445 3.515 3.960 -0.000 0.000 0.254 295 G HA3 -0.445 3.515 3.960 -0.000 0.000 0.254 295 G C 1.265 176.141 174.900 -0.040 0.000 0.982 295 G CA 0.425 45.507 45.100 -0.029 0.000 0.632 295 G HN 0.578 nan 8.290 nan 0.000 0.529 296 R N 0.695 121.156 120.500 -0.065 0.000 2.211 296 R HA -0.062 4.278 4.340 -0.000 0.000 0.240 296 R C 1.172 177.450 176.300 -0.036 0.000 1.144 296 R CA 2.038 58.105 56.100 -0.055 0.000 0.992 296 R CB -0.375 29.881 30.300 -0.073 0.000 0.869 296 R HN 0.457 nan 8.270 nan 0.000 0.462 297 D N -0.444 119.936 120.400 -0.033 0.000 2.623 297 D HA 0.175 4.815 4.640 -0.000 0.000 0.252 297 D C -0.326 175.968 176.300 -0.010 0.000 1.294 297 D CA -0.457 53.532 54.000 -0.018 0.000 0.824 297 D CB 0.334 41.124 40.800 -0.016 0.000 1.070 297 D HN 0.007 nan 8.370 nan 0.000 0.487 298 R N -0.401 120.092 120.500 -0.011 0.000 2.774 298 R HA 0.626 4.966 4.340 -0.000 0.000 0.272 298 R C -1.235 175.063 176.300 -0.004 0.000 1.000 298 R CA -0.942 55.155 56.100 -0.005 0.000 0.906 298 R CB 2.398 32.695 30.300 -0.005 0.000 1.227 298 R HN -0.108 nan 8.270 nan 0.000 0.468 299 V N 1.323 121.237 119.914 -0.000 0.000 2.409 299 V HA 0.436 4.556 4.120 -0.000 0.000 0.290 299 V C 0.302 176.397 176.094 0.002 0.000 1.017 299 V CA -1.102 61.199 62.300 0.001 0.000 0.841 299 V CB 1.388 33.212 31.823 0.002 0.000 1.003 299 V HN 0.920 nan 8.190 nan 0.000 0.426 300 A N 7.511 130.332 122.820 0.001 0.000 2.483 300 A HA 0.646 4.966 4.320 -0.000 0.000 0.238 300 A C -1.802 175.783 177.584 0.003 0.000 1.070 300 A CA -0.508 51.530 52.037 0.002 0.000 0.770 300 A CB -0.213 18.788 19.000 0.001 0.000 1.008 300 A HN 0.685 nan 8.150 nan 0.000 0.497 301 P HA 0.520 nan 4.420 nan 0.000 0.284 301 P C -0.572 176.730 177.300 0.003 0.000 1.258 301 P CA -0.383 62.720 63.100 0.004 0.000 0.824 301 P CB 1.240 32.942 31.700 0.004 0.000 1.038 302 A N 1.755 124.577 122.820 0.003 0.000 2.450 302 A HA 0.447 4.767 4.320 -0.000 0.000 0.255 302 A C -0.070 177.515 177.584 0.002 0.000 1.096 302 A CA -0.112 51.927 52.037 0.003 0.000 0.778 302 A CB -0.179 18.823 19.000 0.003 0.000 1.031 302 A HN 0.379 nan 8.150 nan 0.000 0.494 303 V N 3.948 123.863 119.914 0.002 0.000 2.769 303 V HA 0.303 4.423 4.120 -0.000 0.000 0.312 303 V C -0.097 175.998 176.094 0.001 0.000 1.061 303 V CA -1.058 61.242 62.300 0.001 0.000 0.931 303 V CB 2.118 33.941 31.823 0.001 0.000 1.010 303 V HN 0.942 nan 8.190 nan 0.000 0.433 304 K N 4.152 124.551 120.400 -0.001 0.000 2.295 304 K HA 0.341 4.661 4.320 -0.000 0.000 0.270 304 K C -2.226 174.373 176.600 -0.000 0.000 1.011 304 K CA -1.203 55.083 56.287 -0.002 0.000 0.953 304 K CB 0.423 32.920 32.500 -0.005 0.000 0.956 304 K HN 0.474 nan 8.250 nan 0.000 0.477 305 P HA 0.104 nan 4.420 nan 0.000 0.269 305 P C -0.622 176.680 177.300 0.003 0.000 1.215 305 P CA -0.125 62.978 63.100 0.005 0.000 0.780 305 P CB 0.692 32.397 31.700 0.008 0.000 0.898 306 M N 1.520 121.123 119.600 0.005 0.000 2.324 306 M HA 0.296 4.776 4.480 -0.000 0.000 0.288 306 M C -1.661 174.646 176.300 0.012 0.000 1.097 306 M CA -0.360 54.943 55.300 0.005 0.000 0.928 306 M CB 2.341 34.941 32.600 -0.000 0.000 1.648 306 M HN 0.326 nan 8.290 nan 0.000 0.460 307 Q N 4.224 124.036 119.800 0.020 0.000 2.372 307 Q HA 0.633 4.973 4.340 -0.000 0.000 0.273 307 Q C -1.477 174.545 176.000 0.037 0.000 1.078 307 Q CA -0.727 55.098 55.803 0.036 0.000 0.806 307 Q CB 3.421 32.195 28.738 0.060 0.000 1.332 307 Q HN 0.728 nan 8.270 nan 0.000 0.435 308 I N 3.832 124.428 120.570 0.044 0.000 2.355 308 I HA 0.432 4.602 4.170 -0.000 0.000 0.288 308 I C -0.367 175.797 176.117 0.077 0.000 0.999 308 I CA -0.680 60.648 61.300 0.048 0.000 1.163 308 I CB 0.762 38.787 38.000 0.042 0.000 1.316 308 I HN 0.495 nan 8.210 nan 0.000 0.454 309 I N 2.446 123.055 120.570 0.064 0.000 2.569 309 I HA 0.599 4.769 4.170 -0.000 0.000 0.296 309 I C -0.727 175.376 176.117 -0.024 0.000 1.028 309 I CA -0.519 60.825 61.300 0.074 0.000 1.082 309 I CB 2.062 40.128 38.000 0.109 0.000 1.264 309 I HN 0.503 nan 8.210 nan 0.000 0.429 310 E N 5.845 126.020 120.200 -0.042 0.000 2.873 310 E HA 0.266 4.616 4.350 -0.000 0.000 0.232 310 E C -2.143 174.316 176.600 -0.234 0.000 1.123 310 E CA -1.543 54.802 56.400 -0.092 0.000 0.809 310 E CB 1.391 31.091 29.700 0.001 0.000 1.366 310 E HN 0.544 nan 8.360 nan 0.000 0.400 311 P HA -0.106 nan 4.420 nan 0.000 0.226 311 P C 0.405 177.521 177.300 -0.307 0.000 1.153 311 P CA 0.939 63.490 63.100 -0.915 0.000 0.777 311 P CB 0.371 31.579 31.700 -0.821 0.000 0.794 312 E N -0.582 119.517 120.200 -0.168 0.000 2.499 312 E HA 0.363 4.713 4.350 -0.000 0.000 0.199 312 E C 0.706 177.282 176.600 -0.041 0.000 1.016 312 E CA -0.143 56.214 56.400 -0.072 0.000 0.933 312 E CB 0.206 29.867 29.700 -0.064 0.000 1.050 312 E HN 0.120 nan 8.360 nan 0.000 0.462 313 G N 1.516 110.296 108.800 -0.032 0.000 2.698 313 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.225 313 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.225 313 G C -0.721 174.127 174.900 -0.086 0.000 1.345 313 G CA -0.894 44.191 45.100 -0.026 0.000 0.871 313 G HN -0.020 nan 8.290 nan 0.000 0.540 314 K N 0.409 120.698 120.400 -0.185 0.000 2.095 314 K HA 0.417 4.737 4.320 -0.000 0.000 0.252 314 K C 1.040 177.481 176.600 -0.264 0.000 0.977 314 K CA -0.951 55.110 56.287 -0.377 0.000 0.900 314 K CB 0.795 32.702 32.500 -0.989 0.000 1.060 314 K HN 0.485 nan 8.250 nan 0.000 0.449 315 N N 0.698 119.319 118.700 -0.132 0.000 2.422 315 N HA -0.027 4.713 4.740 -0.000 0.000 0.181 315 N C 0.123 175.746 175.510 0.188 0.000 1.080 315 N CA 0.444 53.532 53.050 0.064 0.000 0.893 315 N CB 0.055 38.658 38.487 0.194 0.000 0.973 315 N HN 0.493 nan 8.380 nan 0.000 0.456 316 Y N -0.645 119.811 120.300 0.260 0.000 2.374 316 Y HA 0.647 5.197 4.550 -0.000 0.000 0.322 316 Y C 0.211 176.132 175.900 0.034 0.000 1.275 316 Y CA -0.862 57.343 58.100 0.174 0.000 1.307 316 Y CB 0.569 39.067 38.460 0.063 0.000 1.282 316 Y HN -0.363 nan 8.280 nan 0.000 0.509 317 T N 2.996 117.672 114.554 0.203 0.000 2.881 317 T HA 0.527 4.877 4.350 -0.000 0.000 0.290 317 T C -0.938 173.753 174.700 -0.014 0.000 1.000 317 T CA -0.561 61.575 62.100 0.060 0.000 0.978 317 T CB 0.670 69.604 68.868 0.110 0.000 0.997 317 T HN 0.574 nan 8.240 nan 0.000 0.443 318 I N 3.075 123.544 120.570 -0.170 0.000 2.355 318 I HA 0.353 4.523 4.170 -0.000 0.000 0.288 318 I C 0.059 176.133 176.117 -0.071 0.000 0.999 318 I CA -0.447 60.724 61.300 -0.215 0.000 1.163 318 I CB 1.686 39.411 38.000 -0.457 0.000 1.316 318 I HN 0.484 nan 8.210 nan 0.000 0.454 319 T N 5.172 119.716 114.554 -0.017 0.000 2.842 319 T HA 0.490 4.840 4.350 -0.000 0.000 0.308 319 T C 0.843 175.581 174.700 0.063 0.000 1.041 319 T CA 0.097 62.227 62.100 0.051 0.000 0.964 319 T CB 1.391 70.287 68.868 0.046 0.000 0.972 319 T HN 1.019 nan 8.240 nan 0.000 0.460 320 G N 4.134 112.992 108.800 0.097 0.000 2.698 320 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.337 320 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.337 320 G C 0.447 175.359 174.900 0.021 0.000 1.196 320 G CA 0.826 45.971 45.100 0.075 0.000 0.965 320 G HN 0.657 nan 8.290 nan 0.000 0.550 321 D N 0.812 121.175 120.400 -0.061 0.000 2.433 321 D HA 0.273 4.913 4.640 -0.000 0.000 0.211 321 D C 1.066 177.162 176.300 -0.340 0.000 1.114 321 D CA -0.005 53.843 54.000 -0.252 0.000 0.837 321 D CB 0.297 40.809 40.800 -0.480 0.000 0.984 321 D HN 0.342 nan 8.370 nan 0.000 0.505 322 M N 0.959 120.470 119.600 -0.150 0.000 2.211 322 M HA 0.306 4.786 4.480 -0.000 0.000 0.356 322 M C -0.141 176.000 176.300 -0.264 0.000 1.216 322 M CA 0.229 55.438 55.300 -0.152 0.000 1.134 322 M CB 1.707 34.331 32.600 0.040 0.000 1.564 322 M HN -0.259 nan 8.290 nan 0.000 0.463 323 I N 1.986 122.251 120.570 -0.508 0.000 2.465 323 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 323 I C -0.859 175.042 176.117 -0.360 0.000 1.014 323 I CA -0.715 60.239 61.300 -0.576 0.000 1.093 323 I CB 1.652 38.985 38.000 -1.112 0.000 1.267 323 I HN 0.624 nan 8.210 nan 0.000 0.431 324 H N 5.461 124.434 119.070 -0.161 0.000 2.495 324 H HA 0.541 5.097 4.556 -0.000 0.000 0.348 324 H C -1.962 173.485 175.328 0.199 0.000 1.113 324 H CA -0.632 55.421 56.048 0.007 0.000 1.195 324 H CB 1.512 31.282 29.762 0.013 0.000 1.521 324 H HN 0.580 nan 8.280 nan 0.000 0.509 325 W N 8.394 129.320 121.300 -0.623 0.000 3.651 325 W HA 0.372 5.031 4.660 -0.000 0.000 0.322 325 W C -0.875 175.482 176.519 -0.270 0.000 1.132 325 W CA -0.529 56.626 57.345 -0.317 0.000 1.277 325 W CB 0.542 29.995 29.460 -0.012 0.000 1.249 325 W HN 0.924 nan 8.180 nan 0.000 0.448 326 R N 1.874 121.927 120.500 -0.744 0.000 3.772 326 R HA -0.337 4.003 4.340 -0.000 0.000 0.480 326 R C 0.798 176.804 176.300 -0.490 0.000 0.241 326 R CA 1.870 57.567 56.100 -0.671 0.000 1.508 326 R CB -1.265 28.443 30.300 -0.988 0.000 0.956 326 R HN 0.711 nan 8.270 nan 0.000 0.583 327 N N 0.441 118.799 118.700 -0.570 0.000 2.461 327 N HA 0.003 4.743 4.740 -0.000 0.000 0.188 327 N C 0.086 175.188 175.510 -0.679 0.000 1.134 327 N CA 0.406 53.012 53.050 -0.740 0.000 0.878 327 N CB 0.017 37.682 38.487 -1.370 0.000 0.972 327 N HN 0.229 nan 8.380 nan 0.000 0.456 328 W N 1.432 122.634 121.300 -0.163 0.000 2.376 328 W HA 0.324 4.984 4.660 -0.000 0.000 0.322 328 W C 0.065 176.651 176.519 0.113 0.000 1.160 328 W CA -0.601 56.798 57.345 0.090 0.000 1.218 328 W CB 1.058 30.688 29.460 0.283 0.000 1.205 328 W HN -0.226 nan 8.180 nan 0.000 0.559 329 D N 3.003 123.702 120.400 0.498 0.000 2.780 329 D HA 0.521 5.161 4.640 -0.000 0.000 0.242 329 D C -0.875 175.685 176.300 0.433 0.000 1.135 329 D CA -0.312 53.900 54.000 0.352 0.000 0.859 329 D CB 2.320 43.303 40.800 0.304 0.000 1.530 329 D HN 0.278 nan 8.370 nan 0.000 0.493 330 F N -1.145 118.859 119.950 0.090 0.000 2.858 330 F HA 0.374 4.901 4.527 -0.000 0.000 0.319 330 F C -1.762 174.018 175.800 -0.033 0.000 1.166 330 F CA -1.010 57.008 58.000 0.030 0.000 0.899 330 F CB 1.735 40.694 39.000 -0.068 0.000 1.332 330 F HN 0.221 nan 8.300 nan 0.000 0.461 331 H N 2.001 121.070 119.070 -0.002 0.000 2.529 331 H HA 0.687 5.243 4.556 -0.000 0.000 0.348 331 H C -2.163 173.076 175.328 -0.149 0.000 1.079 331 H CA -0.790 55.108 56.048 -0.250 0.000 1.198 331 H CB 2.188 31.620 29.762 -0.549 0.000 1.521 331 H HN 0.840 nan 8.280 nan 0.000 0.514 332 L N 5.160 125.981 121.223 -0.670 0.000 2.342 332 L HA 0.351 4.691 4.340 -0.000 0.000 0.276 332 L C -0.836 175.706 176.870 -0.548 0.000 0.997 332 L CA -0.197 54.399 54.840 -0.407 0.000 0.838 332 L CB 1.164 43.087 42.059 -0.227 0.000 1.224 332 L HN 0.687 nan 8.230 nan 0.000 0.416 333 S N 4.001 119.477 115.700 -0.374 0.000 2.709 333 S HA 0.883 5.353 4.470 -0.000 0.000 0.302 333 S C -0.608 173.853 174.600 -0.232 0.000 1.127 333 S CA -0.908 57.138 58.200 -0.257 0.000 0.905 333 S CB 1.847 64.995 63.200 -0.087 0.000 1.151 333 S HN 0.638 nan 8.310 nan 0.000 0.510 334 M N 2.427 121.919 119.600 -0.179 0.000 2.321 334 M HA 0.482 4.962 4.480 -0.000 0.000 0.315 334 M C -1.292 174.922 176.300 -0.143 0.000 1.052 334 M CA -0.397 54.784 55.300 -0.198 0.000 0.936 334 M CB 1.809 34.321 32.600 -0.146 0.000 1.639 334 M HN 0.863 nan 8.290 nan 0.000 0.433 335 N N 1.683 120.282 118.700 -0.167 0.000 2.321 335 N HA 0.279 5.019 4.740 -0.000 0.000 0.299 335 N C 0.200 175.685 175.510 -0.043 0.000 1.048 335 N CA 0.186 53.184 53.050 -0.087 0.000 0.836 335 N CB 1.762 40.202 38.487 -0.080 0.000 1.269 335 N HN 0.902 nan 8.380 nan 0.000 0.486 336 S N 3.364 119.073 115.700 0.015 0.000 2.419 336 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 336 S C 1.724 176.378 174.600 0.089 0.000 1.016 336 S CA 0.724 58.964 58.200 0.066 0.000 0.974 336 S CB -0.017 63.232 63.200 0.081 0.000 0.786 336 S HN 0.732 nan 8.310 nan 0.000 0.492 337 R N 0.838 121.371 120.500 0.055 0.000 2.064 337 R HA 0.080 4.420 4.340 -0.000 0.000 0.221 337 R C 2.035 178.379 176.300 0.074 0.000 1.136 337 R CA 1.555 57.683 56.100 0.047 0.000 0.980 337 R CB -0.080 30.201 30.300 -0.032 0.000 0.876 337 R HN 0.481 nan 8.270 nan 0.000 0.437 338 V N -2.416 117.514 119.914 0.025 0.000 3.528 338 V HA 0.470 4.590 4.120 -0.000 0.000 0.294 338 V C 0.807 176.737 176.094 -0.273 0.000 1.404 338 V CA 0.320 62.613 62.300 -0.012 0.000 1.065 338 V CB 0.050 31.890 31.823 0.029 0.000 0.904 338 V HN 0.631 nan 8.190 nan 0.000 0.435 339 G N 1.506 110.085 108.800 -0.368 0.000 2.498 339 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.251 339 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.251 339 G C -2.676 171.719 174.900 -0.842 0.000 1.170 339 G CA -0.096 44.422 45.100 -0.971 0.000 0.944 339 G HN 0.612 nan 8.290 nan 0.000 0.567 340 P HA 0.495 nan 4.420 nan 0.000 0.278 340 P C -0.391 176.569 177.300 -0.567 0.000 1.238 340 P CA 0.081 62.776 63.100 -0.676 0.000 0.794 340 P CB 0.815 32.147 31.700 -0.614 0.000 0.955 341 M N 2.670 121.986 119.600 -0.472 0.000 2.326 341 M HA 0.480 4.960 4.480 -0.000 0.000 0.306 341 M C -0.589 175.450 176.300 -0.434 0.000 1.054 341 M CA -0.894 54.133 55.300 -0.454 0.000 0.922 341 M CB 2.281 34.697 32.600 -0.307 0.000 1.632 341 M HN 0.073 nan 8.290 nan 0.000 0.436 342 I N 2.319 122.573 120.570 -0.527 0.000 2.362 342 I HA 0.521 4.691 4.170 -0.000 0.000 0.289 342 I C -0.243 175.709 176.117 -0.276 0.000 0.994 342 I CA -0.164 60.897 61.300 -0.398 0.000 1.158 342 I CB 1.286 38.923 38.000 -0.605 0.000 1.315 342 I HN 0.684 nan 8.210 nan 0.000 0.451 343 S N 2.789 118.405 115.700 -0.140 0.000 2.599 343 S HA 0.508 4.978 4.470 -0.000 0.000 0.287 343 S C 0.049 174.549 174.600 -0.167 0.000 1.105 343 S CA -0.570 57.462 58.200 -0.281 0.000 0.899 343 S CB 1.913 64.877 63.200 -0.392 0.000 1.100 343 S HN 0.822 nan 8.310 nan 0.000 0.482 344 T N -1.679 112.622 114.554 -0.421 0.000 3.639 344 T HA -0.160 4.190 4.350 -0.000 0.000 0.386 344 T C -0.078 174.742 174.700 0.200 0.000 0.764 344 T CA 0.177 62.044 62.100 -0.389 0.000 1.954 344 T CB -2.560 66.175 68.868 -0.223 0.000 1.755 344 T HN 0.490 nan 8.240 nan 0.000 0.715 345 V N 2.419 122.526 119.914 0.322 0.000 2.427 345 V HA 0.592 4.712 4.120 -0.000 0.000 0.268 345 V C 1.184 177.658 176.094 0.635 0.000 1.046 345 V CA 0.222 62.818 62.300 0.493 0.000 0.970 345 V CB 0.761 32.805 31.823 0.368 0.000 1.001 345 V HN 0.976 nan 8.190 nan 0.000 0.476 346 T N 2.079 117.006 114.554 0.621 0.000 2.916 346 T HA 0.623 4.973 4.350 -0.000 0.000 0.292 346 T C -1.108 173.861 174.700 0.448 0.000 1.055 346 T CA -0.751 61.655 62.100 0.510 0.000 1.009 346 T CB 1.816 70.922 68.868 0.398 0.000 1.118 346 T HN 0.382 nan 8.240 nan 0.000 0.497 347 Y N 2.177 122.582 120.300 0.175 0.000 2.328 347 Y HA 0.454 5.004 4.550 -0.000 0.000 0.337 347 Y C 0.102 176.039 175.900 0.061 0.000 0.966 347 Y CA -1.097 56.969 58.100 -0.057 0.000 1.136 347 Y CB 1.218 39.608 38.460 -0.117 0.000 1.170 347 Y HN 0.777 nan 8.280 nan 0.000 0.470 348 N N 5.165 123.720 118.700 -0.242 0.000 2.421 348 N HA -0.028 4.712 4.740 -0.000 0.000 0.260 348 N C -1.163 174.384 175.510 0.061 0.000 1.173 348 N CA 0.146 53.164 53.050 -0.053 0.000 0.960 348 N CB 0.061 38.496 38.487 -0.086 0.000 1.273 348 N HN 0.652 nan 8.380 nan 0.000 0.497 349 D N 2.893 123.465 120.400 0.286 0.000 2.374 349 D HA 0.068 4.708 4.640 -0.000 0.000 0.240 349 D C 0.199 176.601 176.300 0.171 0.000 1.229 349 D CA -0.020 54.199 54.000 0.365 0.000 0.895 349 D CB -0.509 40.504 40.800 0.356 0.000 1.046 349 D HN 0.587 nan 8.370 nan 0.000 0.498 350 N N 3.083 121.857 118.700 0.124 0.000 2.708 350 N HA -0.276 4.464 4.740 -0.000 0.000 0.251 350 N C 0.896 176.428 175.510 0.038 0.000 1.017 350 N CA 1.560 54.647 53.050 0.062 0.000 0.742 350 N CB -0.841 37.683 38.487 0.062 0.000 0.943 350 N HN 0.716 nan 8.380 nan 0.000 0.539 351 G N -3.298 105.520 108.800 0.031 0.000 2.231 351 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.206 351 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.206 351 G C 0.078 174.992 174.900 0.024 0.000 0.996 351 G CA 0.124 45.235 45.100 0.018 0.000 0.645 351 G HN 0.524 nan 8.290 nan 0.000 0.498 352 T N 1.885 116.465 114.554 0.042 0.000 2.792 352 T HA 0.538 4.888 4.350 -0.000 0.000 0.280 352 T C -0.186 174.557 174.700 0.072 0.000 0.990 352 T CA -0.542 61.582 62.100 0.040 0.000 0.960 352 T CB 1.795 70.678 68.868 0.025 0.000 0.939 352 T HN 0.279 nan 8.240 nan 0.000 0.439 353 K N 3.407 123.849 120.400 0.068 0.000 2.316 353 K HA 0.327 4.647 4.320 -0.000 0.000 0.289 353 K C 0.117 176.778 176.600 0.102 0.000 1.070 353 K CA -0.258 56.094 56.287 0.108 0.000 0.928 353 K CB 0.908 33.479 32.500 0.118 0.000 1.039 353 K HN 0.353 nan 8.250 nan 0.000 0.480 354 R N 2.693 123.296 120.500 0.173 0.000 2.393 354 R HA 0.212 4.552 4.340 -0.000 0.000 0.310 354 R C -0.295 176.130 176.300 0.207 0.000 0.968 354 R CA -0.796 55.401 56.100 0.162 0.000 0.867 354 R CB 1.452 31.876 30.300 0.207 0.000 1.124 354 R HN 0.350 nan 8.270 nan 0.000 0.450 355 K N 1.254 121.675 120.400 0.035 0.000 2.382 355 K HA 0.064 4.384 4.320 -0.000 0.000 0.275 355 K C 0.271 176.972 176.600 0.169 0.000 1.009 355 K CA -0.111 56.143 56.287 -0.055 0.000 0.970 355 K CB 1.003 33.223 32.500 -0.467 0.000 0.934 355 K HN 0.323 nan 8.250 nan 0.000 0.479 356 V N 1.616 121.680 119.914 0.250 0.000 3.161 356 V HA 0.132 4.252 4.120 -0.000 0.000 0.221 356 V C -0.076 176.084 176.094 0.111 0.000 1.296 356 V CA -0.028 62.330 62.300 0.096 0.000 1.306 356 V CB 0.371 32.261 31.823 0.111 0.000 1.171 356 V HN 0.740 nan 8.190 nan 0.000 0.513 357 M N -0.860 118.899 119.600 0.265 0.000 2.204 357 M HA 0.397 4.877 4.480 -0.000 0.000 0.293 357 M C 0.126 176.630 176.300 0.340 0.000 0.994 357 M CA -0.601 54.835 55.300 0.227 0.000 0.925 357 M CB 2.176 34.821 32.600 0.076 0.000 1.577 357 M HN 0.330 nan 8.290 nan 0.000 0.439 358 Y N 4.127 124.577 120.300 0.250 0.000 2.092 358 Y HA 0.112 4.662 4.550 -0.000 0.000 0.282 358 Y C -0.220 175.584 175.900 -0.160 0.000 1.126 358 Y CA 1.745 59.831 58.100 -0.025 0.000 1.111 358 Y CB 0.440 38.887 38.460 -0.023 0.000 0.987 358 Y HN 0.636 nan 8.280 nan 0.000 0.489 359 E N -0.956 119.114 120.200 -0.217 0.000 2.275 359 E HA 0.503 4.853 4.350 -0.000 0.000 0.270 359 E C -1.176 175.319 176.600 -0.175 0.000 0.882 359 E CA -0.426 55.784 56.400 -0.317 0.000 0.758 359 E CB 1.904 31.432 29.700 -0.287 0.000 1.195 359 E HN 0.362 nan 8.360 nan 0.000 0.419 360 G N 0.799 109.463 108.800 -0.226 0.000 2.571 360 G HA2 0.654 4.614 3.960 -0.000 0.000 0.304 360 G HA3 0.654 4.614 3.960 -0.000 0.000 0.304 360 G C -0.926 173.797 174.900 -0.295 0.000 1.314 360 G CA -0.439 44.581 45.100 -0.133 0.000 0.975 360 G HN 0.457 nan 8.290 nan 0.000 0.485 361 S N 0.707 116.411 115.700 0.007 0.000 2.615 361 S HA 0.517 4.987 4.470 -0.000 0.000 0.268 361 S C -1.059 173.751 174.600 0.350 0.000 1.146 361 S CA -0.800 57.410 58.200 0.017 0.000 0.818 361 S CB 1.096 64.192 63.200 -0.173 0.000 1.111 361 S HN 1.427 nan 8.310 nan 0.000 0.465 362 L N 2.424 123.838 121.223 0.318 0.000 2.578 362 L HA 0.452 4.792 4.340 -0.000 0.000 0.279 362 L C 1.313 178.201 176.870 0.030 0.000 1.227 362 L CA 1.779 56.681 54.840 0.103 0.000 0.900 362 L CB 0.131 42.115 42.059 -0.124 0.000 1.144 362 L HN 1.032 nan 8.230 nan 0.000 0.496 363 G N 3.013 111.800 108.800 -0.022 0.000 2.471 363 G HA2 0.472 4.432 3.960 -0.000 0.000 0.211 363 G HA3 0.472 4.432 3.960 -0.000 0.000 0.211 363 G C 0.380 175.325 174.900 0.074 0.000 1.194 363 G CA 0.511 45.650 45.100 0.064 0.000 0.816 363 G HN 1.096 nan 8.290 nan 0.000 0.545 364 G N -0.939 107.804 108.800 -0.096 0.000 2.601 364 G HA2 0.566 4.526 3.960 -0.000 0.000 0.291 364 G HA3 0.566 4.526 3.960 -0.000 0.000 0.291 364 G C -0.949 173.877 174.900 -0.124 0.000 1.456 364 G CA -0.354 44.675 45.100 -0.118 0.000 0.804 364 G HN 0.698 nan 8.290 nan 0.000 0.499 365 M N -0.537 119.067 119.600 0.006 0.000 2.664 365 M HA 0.929 5.409 4.480 -0.000 0.000 0.279 365 M C -1.646 174.758 176.300 0.172 0.000 1.275 365 M CA -1.137 54.219 55.300 0.093 0.000 0.829 365 M CB 2.776 35.413 32.600 0.062 0.000 1.727 365 M HN 0.758 nan 8.290 nan 0.000 0.459 366 I N 1.105 121.760 120.570 0.141 0.000 2.722 366 I HA 0.588 4.758 4.170 -0.000 0.000 0.292 366 I C -1.938 174.211 176.117 0.054 0.000 1.267 366 I CA -0.744 60.642 61.300 0.144 0.000 1.036 366 I CB 2.501 40.597 38.000 0.160 0.000 1.281 366 I HN 0.631 nan 8.210 nan 0.000 0.423 367 V N 8.119 128.104 119.914 0.118 0.000 2.289 367 V HA 0.475 4.595 4.120 -0.000 0.000 0.272 367 V C -2.448 173.688 176.094 0.071 0.000 1.026 367 V CA -1.235 61.082 62.300 0.028 0.000 0.807 367 V CB 0.771 32.636 31.823 0.069 0.000 1.044 367 V HN 0.534 nan 8.190 nan 0.000 0.443 368 P HA 0.519 nan 4.420 nan 0.000 0.296 368 P C -1.359 176.004 177.300 0.105 0.000 1.301 368 P CA -0.560 62.664 63.100 0.207 0.000 0.862 368 P CB 1.256 33.148 31.700 0.320 0.000 1.046 369 Y N -0.010 120.475 120.300 0.308 0.000 2.496 369 Y HA 0.565 5.115 4.550 -0.000 0.000 0.331 369 Y C 1.768 177.758 175.900 0.150 0.000 1.140 369 Y CA -0.064 58.174 58.100 0.230 0.000 1.166 369 Y CB 1.576 40.186 38.460 0.251 0.000 1.249 369 Y HN 0.472 nan 8.280 nan 0.000 0.479 370 G N 0.253 109.154 108.800 0.167 0.000 3.605 370 G HA2 0.043 4.003 3.960 -0.000 0.000 0.277 370 G HA3 0.043 4.003 3.960 -0.000 0.000 0.277 370 G C -0.817 174.019 174.900 -0.106 0.000 1.093 370 G CA -0.018 45.067 45.100 -0.025 0.000 0.821 370 G HN 0.476 nan 8.290 nan 0.000 0.532 371 D N 0.488 120.824 120.400 -0.107 0.000 2.391 371 D HA 0.310 4.950 4.640 -0.000 0.000 0.245 371 D C -1.841 174.320 176.300 -0.233 0.000 1.069 371 D CA -1.931 51.816 54.000 -0.423 0.000 0.831 371 D CB 3.282 43.820 40.800 -0.437 0.000 1.204 371 D HN -0.025 nan 8.370 nan 0.000 0.503 372 P HA 0.100 nan 4.420 nan 0.000 0.251 372 P C -0.094 177.254 177.300 0.079 0.000 1.223 372 P CA -0.091 62.965 63.100 -0.075 0.000 0.796 372 P CB 0.761 32.367 31.700 -0.157 0.000 1.068 373 D N 0.052 120.474 120.400 0.037 0.000 2.325 373 D HA -0.044 4.596 4.640 -0.000 0.000 0.237 373 D C 1.466 177.976 176.300 0.350 0.000 1.328 373 D CA -0.236 53.868 54.000 0.174 0.000 0.918 373 D CB 0.345 41.236 40.800 0.153 0.000 1.156 373 D HN -0.152 nan 8.370 nan 0.000 0.485 374 I N 0.420 121.176 120.570 0.309 0.000 2.315 374 I HA -0.025 4.145 4.170 -0.000 0.000 0.248 374 I C 2.050 178.343 176.117 0.294 0.000 1.117 374 I CA 1.362 62.861 61.300 0.332 0.000 1.404 374 I CB -0.678 37.441 38.000 0.199 0.000 1.071 374 I HN 0.445 nan 8.210 nan 0.000 0.419 375 G N -1.696 107.229 108.800 0.208 0.000 2.848 375 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.208 375 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.208 375 G C 0.768 175.257 174.900 -0.685 0.000 1.152 375 G CA 0.369 45.384 45.100 -0.142 0.000 0.789 375 G HN 0.525 nan 8.290 nan 0.000 0.531 376 W N -1.816 119.287 121.300 -0.329 0.000 2.926 376 W HA 0.195 4.855 4.660 -0.000 0.000 0.221 376 W C 1.928 178.144 176.519 -0.506 0.000 1.030 376 W CA -0.313 56.732 57.345 -0.500 0.000 1.330 376 W CB -0.379 28.938 29.460 -0.238 0.000 0.787 376 W HN 0.186 nan 8.180 nan 0.000 0.736 377 Y N 0.748 121.072 120.300 0.039 0.000 2.384 377 Y HA -0.197 4.353 4.550 -0.000 0.000 0.289 377 Y C 1.606 177.632 175.900 0.210 0.000 1.152 377 Y CA 1.293 59.468 58.100 0.125 0.000 1.258 377 Y CB -1.760 36.765 38.460 0.109 0.000 0.979 377 Y HN 0.071 nan 8.280 nan 0.000 0.549 378 F N 0.042 119.769 119.950 -0.372 0.000 2.717 378 F HA 0.382 4.909 4.527 0.000 0.000 0.295 378 F C 0.974 176.820 175.800 0.077 0.000 1.117 378 F CA -1.385 56.600 58.000 -0.026 0.000 1.361 378 F CB -0.594 38.184 39.000 -0.371 0.000 1.112 378 F HN -0.200 nan 8.300 nan 0.000 0.594 379 K N 2.311 122.258 120.400 -0.755 0.000 2.453 379 K HA 0.401 4.721 4.320 -0.000 0.000 0.280 379 K C -0.745 175.924 176.600 0.115 0.000 1.045 379 K CA 0.587 56.615 56.287 -0.431 0.000 1.059 379 K CB -0.052 32.108 32.500 -0.567 0.000 0.901 379 K HN 0.421 nan 8.250 nan 0.000 0.475 380 A N 5.605 128.506 122.820 0.136 0.000 2.483 380 A HA 0.194 4.514 4.320 -0.000 0.000 0.298 380 A C -1.915 175.799 177.584 0.218 0.000 1.052 380 A CA -0.728 51.459 52.037 0.251 0.000 0.978 380 A CB 0.115 19.222 19.000 0.178 0.000 1.506 380 A HN 0.636 nan 8.150 nan 0.000 0.388 381 Y N 1.773 122.212 120.300 0.232 0.000 2.393 381 Y HA 0.410 4.960 4.550 0.000 0.000 0.338 381 Y C 0.580 176.616 175.900 0.226 0.000 1.029 381 Y CA 0.075 58.326 58.100 0.253 0.000 1.239 381 Y CB 1.064 39.633 38.460 0.181 0.000 1.170 381 Y HN 0.556 nan 8.280 nan 0.000 0.515 382 L N 5.068 126.517 121.223 0.376 0.000 2.397 382 L HA 0.177 4.517 4.340 -0.000 0.000 0.263 382 L C 0.833 177.914 176.870 0.352 0.000 1.136 382 L CA -0.114 54.893 54.840 0.279 0.000 1.019 382 L CB 0.192 42.355 42.059 0.173 0.000 1.352 382 L HN 0.751 nan 8.230 nan 0.000 0.420 383 D N 0.367 120.973 120.400 0.343 0.000 2.104 383 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 383 D C 1.968 178.484 176.300 0.360 0.000 0.994 383 D CA 1.942 56.176 54.000 0.391 0.000 0.830 383 D CB 0.304 41.277 40.800 0.289 0.000 0.959 383 D HN 0.619 nan 8.370 nan 0.000 0.452 384 S N 0.620 116.461 115.700 0.235 0.000 2.336 384 S HA -0.033 4.437 4.470 -0.000 0.000 0.216 384 S C 2.365 177.021 174.600 0.093 0.000 1.032 384 S CA 1.184 59.493 58.200 0.181 0.000 0.973 384 S CB -0.979 62.301 63.200 0.133 0.000 0.888 384 S HN 0.233 nan 8.310 nan 0.000 0.455 385 G N 1.378 110.186 108.800 0.013 0.000 2.442 385 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.219 385 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.219 385 G C 1.118 175.990 174.900 -0.045 0.000 1.141 385 G CA 1.167 46.205 45.100 -0.103 0.000 0.763 385 G HN 0.518 nan 8.290 nan 0.000 0.554 386 D N -1.755 118.675 120.400 0.050 0.000 2.366 386 D HA 0.143 4.783 4.640 -0.000 0.000 0.205 386 D C 1.145 177.292 176.300 -0.254 0.000 1.022 386 D CA 0.330 54.276 54.000 -0.090 0.000 0.868 386 D CB 0.311 41.057 40.800 -0.090 0.000 0.953 386 D HN 0.455 nan 8.370 nan 0.000 0.514 387 Y N -0.694 119.690 120.300 0.140 0.000 2.441 387 Y HA 0.326 4.876 4.550 -0.000 0.000 0.266 387 Y C 0.992 177.000 175.900 0.181 0.000 1.093 387 Y CA 0.161 58.380 58.100 0.199 0.000 1.246 387 Y CB 1.225 39.855 38.460 0.284 0.000 1.262 387 Y HN -0.109 nan 8.280 nan 0.000 0.518 388 G N 1.457 110.425 108.800 0.280 0.000 2.828 388 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.262 388 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.262 388 G C 0.410 175.476 174.900 0.277 0.000 1.033 388 G CA 0.185 45.418 45.100 0.223 0.000 1.248 388 G HN 0.240 nan 8.290 nan 0.000 0.551 389 M N 0.828 120.616 119.600 0.313 0.000 2.229 389 M HA 0.010 4.490 4.480 -0.000 0.000 0.264 389 M C 2.740 179.377 176.300 0.562 0.000 1.063 389 M CA 2.153 57.706 55.300 0.422 0.000 1.114 389 M CB -0.162 32.753 32.600 0.525 0.000 1.387 389 M HN 0.633 nan 8.290 nan 0.000 0.420 390 G N 0.043 109.106 108.800 0.438 0.000 2.433 390 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 390 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 390 G C 1.423 176.506 174.900 0.306 0.000 1.186 390 G CA 1.502 46.821 45.100 0.366 0.000 0.779 390 G HN 0.352 nan 8.290 nan 0.000 0.543 391 T N 1.271 115.962 114.554 0.230 0.000 2.699 391 T HA -0.086 4.264 4.350 -0.000 0.000 0.268 391 T C 1.905 176.721 174.700 0.193 0.000 1.036 391 T CA 0.873 63.088 62.100 0.193 0.000 1.147 391 T CB -0.193 68.787 68.868 0.187 0.000 0.862 391 T HN 0.116 nan 8.240 nan 0.000 0.446 392 L N 1.581 122.933 121.223 0.214 0.000 2.737 392 L HA 0.163 4.503 4.340 -0.000 0.000 0.236 392 L C 0.428 177.379 176.870 0.134 0.000 1.219 392 L CA -0.339 54.594 54.840 0.155 0.000 1.021 392 L CB -0.539 41.610 42.059 0.150 0.000 1.291 392 L HN 0.096 nan 8.230 nan 0.000 0.470 393 T N 0.367 115.047 114.554 0.210 0.000 2.905 393 T HA -0.020 4.330 4.350 -0.000 0.000 0.299 393 T C 0.660 175.400 174.700 0.068 0.000 1.024 393 T CA 0.404 62.617 62.100 0.188 0.000 1.151 393 T CB 0.432 69.544 68.868 0.407 0.000 0.987 393 T HN 0.176 nan 8.240 nan 0.000 0.535 394 S N 6.057 121.741 115.700 -0.027 0.000 2.422 394 S HA 0.325 4.795 4.470 -0.000 0.000 0.298 394 S C -2.212 172.391 174.600 0.005 0.000 1.118 394 S CA -1.252 56.933 58.200 -0.025 0.000 1.083 394 S CB 0.873 64.025 63.200 -0.080 0.000 0.971 394 S HN 0.456 nan 8.310 nan 0.000 0.478 395 P HA 0.024 nan 4.420 nan 0.000 0.261 395 P C -0.218 177.098 177.300 0.026 0.000 1.173 395 P CA 0.193 63.318 63.100 0.040 0.000 0.760 395 P CB 0.193 31.910 31.700 0.028 0.000 0.783 396 I N 2.268 122.866 120.570 0.046 0.000 2.683 396 I HA 0.004 4.174 4.170 -0.000 0.000 0.286 396 I C 0.890 177.016 176.117 0.015 0.000 1.175 396 I CA 0.133 61.454 61.300 0.036 0.000 1.429 396 I CB 0.477 38.519 38.000 0.070 0.000 1.371 396 I HN 0.346 nan 8.210 nan 0.000 0.569 397 A N 8.039 130.859 122.820 0.000 0.000 2.437 397 A HA 0.214 4.534 4.320 -0.000 0.000 0.303 397 A C 0.574 178.150 177.584 -0.014 0.000 1.324 397 A CA -0.415 51.617 52.037 -0.009 0.000 0.983 397 A CB -0.100 18.891 19.000 -0.014 0.000 1.142 397 A HN 0.818 nan 8.150 nan 0.000 0.541 398 R N 1.913 122.406 120.500 -0.013 0.000 2.538 398 R HA 0.153 4.493 4.340 -0.000 0.000 0.273 398 R C 1.459 177.743 176.300 -0.027 0.000 0.967 398 R CA 1.801 57.891 56.100 -0.018 0.000 1.101 398 R CB 0.017 30.306 30.300 -0.017 0.000 0.908 398 R HN 1.580 nan 8.270 nan 0.000 0.411 399 G N 3.150 111.925 108.800 -0.043 0.000 2.304 399 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.252 399 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.252 399 G C 0.705 175.572 174.900 -0.054 0.000 1.014 399 G CA 0.668 45.740 45.100 -0.047 0.000 0.619 399 G HN 0.641 nan 8.290 nan 0.000 0.525 400 K N -0.628 119.745 120.400 -0.046 0.000 2.312 400 K HA 0.167 4.487 4.320 -0.000 0.000 0.206 400 K C 1.313 177.890 176.600 -0.039 0.000 1.121 400 K CA 0.559 56.823 56.287 -0.038 0.000 0.923 400 K CB 0.012 32.497 32.500 -0.026 0.000 1.162 400 K HN 0.128 nan 8.250 nan 0.000 0.478 401 D N 1.139 121.520 120.400 -0.032 0.000 2.277 401 D HA 0.051 4.691 4.640 -0.000 0.000 0.208 401 D C 0.226 176.513 176.300 -0.023 0.000 0.962 401 D CA 0.526 54.518 54.000 -0.014 0.000 0.865 401 D CB 0.423 41.220 40.800 -0.005 0.000 0.939 401 D HN 0.184 nan 8.370 nan 0.000 0.510 402 A N 0.470 123.232 122.820 -0.096 0.000 2.539 402 A HA 0.565 4.884 4.320 -0.000 0.000 0.296 402 A C -2.637 174.740 177.584 -0.345 0.000 1.073 402 A CA -1.345 50.526 52.037 -0.278 0.000 0.700 402 A CB 1.623 20.499 19.000 -0.206 0.000 1.296 402 A HN -0.226 nan 8.150 nan 0.000 0.405 403 P HA 0.024 nan 4.420 nan 0.000 0.270 403 P C 0.810 177.982 177.300 -0.214 0.000 1.221 403 P CA 0.431 63.306 63.100 -0.375 0.000 0.788 403 P CB 0.494 31.909 31.700 -0.475 0.000 0.904 404 S N -0.732 114.908 115.700 -0.099 0.000 2.607 404 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 404 S C 1.055 175.665 174.600 0.016 0.000 0.969 404 S CA 0.170 58.353 58.200 -0.029 0.000 0.927 404 S CB -1.016 62.186 63.200 0.002 0.000 0.772 404 S HN 0.615 nan 8.310 nan 0.000 0.533 405 N N 1.471 120.179 118.700 0.013 0.000 2.214 405 N HA 0.303 5.043 4.740 -0.000 0.000 0.214 405 N C 0.227 175.825 175.510 0.146 0.000 1.132 405 N CA 0.017 53.124 53.050 0.095 0.000 0.856 405 N CB 0.046 38.604 38.487 0.117 0.000 1.020 405 N HN 0.393 nan 8.380 nan 0.000 0.509 406 A N 0.418 123.288 122.820 0.083 0.000 2.327 406 A HA 0.515 4.835 4.320 -0.000 0.000 0.255 406 A C -0.132 177.580 177.584 0.213 0.000 1.099 406 A CA -0.324 51.830 52.037 0.193 0.000 0.801 406 A CB 0.683 19.750 19.000 0.111 0.000 1.062 406 A HN 0.065 nan 8.150 nan 0.000 0.496 407 V N 1.212 121.282 119.914 0.261 0.000 2.495 407 V HA 0.383 4.503 4.120 -0.000 0.000 0.298 407 V C -0.385 175.832 176.094 0.205 0.000 1.031 407 V CA -0.295 62.156 62.300 0.252 0.000 0.871 407 V CB 1.354 33.379 31.823 0.336 0.000 0.988 407 V HN 0.675 nan 8.190 nan 0.000 0.432 408 L N 5.937 127.264 121.223 0.173 0.000 2.296 408 L HA 0.591 4.931 4.340 -0.000 0.000 0.286 408 L C -0.574 176.379 176.870 0.137 0.000 1.023 408 L CA -0.432 54.489 54.840 0.135 0.000 0.812 408 L CB 1.541 43.650 42.059 0.083 0.000 1.223 408 L HN 0.385 nan 8.230 nan 0.000 0.421 409 L N 2.957 124.259 121.223 0.131 0.000 2.334 409 L HA 0.477 4.817 4.340 -0.000 0.000 0.275 409 L C -0.242 176.673 176.870 0.074 0.000 1.036 409 L CA -0.831 54.080 54.840 0.119 0.000 0.807 409 L CB 1.385 43.510 42.059 0.110 0.000 1.231 409 L HN 0.577 nan 8.230 nan 0.000 0.438 410 N N 1.692 120.419 118.700 0.045 0.000 2.487 410 N HA 0.451 5.191 4.740 -0.000 0.000 0.292 410 N C -0.790 174.734 175.510 0.024 0.000 1.108 410 N CA -0.531 52.537 53.050 0.030 0.000 0.956 410 N CB 1.780 40.269 38.487 0.004 0.000 1.176 410 N HN 0.479 nan 8.380 nan 0.000 0.484 411 E N 0.260 120.476 120.200 0.027 0.000 2.356 411 E HA 0.420 4.770 4.350 -0.000 0.000 0.275 411 E C -0.918 175.690 176.600 0.014 0.000 0.904 411 E CA -0.596 55.810 56.400 0.010 0.000 0.757 411 E CB 2.212 31.914 29.700 0.004 0.000 1.232 411 E HN 0.347 nan 8.360 nan 0.000 0.442 412 T N 2.223 116.777 114.554 -0.001 0.000 2.829 412 T HA 0.742 5.092 4.350 -0.000 0.000 0.280 412 T C 0.166 174.865 174.700 -0.002 0.000 0.999 412 T CA -0.531 61.570 62.100 0.001 0.000 0.983 412 T CB 0.668 69.531 68.868 -0.008 0.000 0.968 412 T HN 0.484 nan 8.240 nan 0.000 0.446 413 I N -0.798 119.777 120.570 0.008 0.000 3.352 413 I HA 0.963 5.133 4.170 -0.000 0.000 0.316 413 I C -1.025 175.094 176.117 0.004 0.000 1.214 413 I CA -1.848 59.458 61.300 0.009 0.000 0.934 413 I CB 1.641 39.660 38.000 0.032 0.000 1.310 413 I HN 0.623 nan 8.210 nan 0.000 0.475 414 A N 1.485 124.305 122.820 0.001 0.000 2.301 414 A HA 0.652 4.972 4.320 -0.000 0.000 0.312 414 A C -0.723 176.875 177.584 0.023 0.000 1.182 414 A CA -0.368 51.655 52.037 -0.023 0.000 0.826 414 A CB 0.349 19.308 19.000 -0.068 0.000 1.134 414 A HN 0.859 nan 8.150 nan 0.000 0.501 415 D N 0.217 120.622 120.400 0.007 0.000 2.414 415 D HA 0.109 4.749 4.640 -0.000 0.000 0.259 415 D C 0.721 177.079 176.300 0.097 0.000 1.269 415 D CA 0.255 54.293 54.000 0.064 0.000 1.028 415 D CB -0.065 40.740 40.800 0.009 0.000 1.093 415 D HN 0.640 nan 8.370 nan 0.000 0.545 416 Y N -2.827 117.560 120.300 0.146 0.000 2.509 416 Y HA 0.046 4.596 4.550 -0.000 0.000 0.293 416 Y C 1.821 177.913 175.900 0.319 0.000 1.133 416 Y CA 0.952 59.178 58.100 0.211 0.000 1.283 416 Y CB -1.015 37.542 38.460 0.160 0.000 1.001 416 Y HN 0.366 nan 8.280 nan 0.000 0.555 417 T N -3.574 110.730 114.554 -0.416 0.000 3.107 417 T HA 0.440 4.790 4.350 -0.000 0.000 0.249 417 T C 1.599 176.319 174.700 0.032 0.000 1.096 417 T CA 0.304 62.337 62.100 -0.112 0.000 1.012 417 T CB -0.336 68.344 68.868 -0.314 0.000 0.977 417 T HN 0.852 nan 8.240 nan 0.000 0.527 418 G N 0.527 109.237 108.800 -0.151 0.000 2.157 418 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.239 418 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.239 418 G C -0.031 174.693 174.900 -0.293 0.000 0.982 418 G CA -0.118 44.666 45.100 -0.528 0.000 0.650 418 G HN 0.677 nan 8.290 nan 0.000 0.527 419 V N 2.047 121.855 119.914 -0.175 0.000 2.509 419 V HA 0.482 4.602 4.120 -0.000 0.000 0.284 419 V C -1.485 174.554 176.094 -0.091 0.000 1.047 419 V CA -1.585 60.642 62.300 -0.121 0.000 0.952 419 V CB 1.573 33.340 31.823 -0.092 0.000 0.988 419 V HN 0.105 nan 8.190 nan 0.000 0.469 420 P HA 0.183 nan 4.420 nan 0.000 0.269 420 P C -0.612 176.672 177.300 -0.026 0.000 1.209 420 P CA -0.053 63.018 63.100 -0.048 0.000 0.776 420 P CB 0.395 32.069 31.700 -0.043 0.000 0.876 421 M N 1.531 121.126 119.600 -0.009 0.000 2.183 421 M HA 0.256 4.736 4.480 -0.000 0.000 0.277 421 M C -1.010 175.300 176.300 0.016 0.000 0.995 421 M CA -0.420 54.886 55.300 0.009 0.000 0.969 421 M CB 1.566 34.182 32.600 0.026 0.000 1.659 421 M HN 0.217 nan 8.290 nan 0.000 0.462 422 E N 5.540 125.748 120.200 0.014 0.000 2.089 422 E HA 0.355 4.705 4.350 -0.000 0.000 0.284 422 E C -0.988 175.630 176.600 0.029 0.000 1.023 422 E CA -0.404 56.006 56.400 0.017 0.000 0.819 422 E CB 0.848 30.552 29.700 0.006 0.000 1.076 422 E HN 0.698 nan 8.360 nan 0.000 0.396 423 I N 7.808 128.404 120.570 0.044 0.000 2.322 423 I HA 0.187 4.357 4.170 -0.000 0.000 0.292 423 I C -1.938 174.211 176.117 0.053 0.000 1.060 423 I CA -2.025 59.312 61.300 0.061 0.000 1.309 423 I CB 0.425 38.483 38.000 0.096 0.000 1.415 423 I HN 0.282 nan 8.210 nan 0.000 0.492 424 P HA 0.114 nan 4.420 nan 0.000 0.275 424 P C -0.437 176.890 177.300 0.045 0.000 1.227 424 P CA -0.284 62.833 63.100 0.028 0.000 0.781 424 P CB 0.555 32.262 31.700 0.011 0.000 0.906 425 R N 1.076 121.603 120.500 0.045 0.000 3.322 425 R HA -0.219 4.121 4.340 -0.000 0.000 0.253 425 R C 1.038 177.400 176.300 0.104 0.000 0.987 425 R CA 0.502 56.641 56.100 0.065 0.000 0.666 425 R CB -2.605 27.720 30.300 0.042 0.000 1.072 425 R HN 0.598 nan 8.270 nan 0.000 0.447 426 A N 0.299 123.194 122.820 0.125 0.000 2.014 426 A HA 0.130 4.450 4.320 -0.000 0.000 0.218 426 A C 1.023 178.776 177.584 0.280 0.000 1.163 426 A CA 0.855 53.010 52.037 0.197 0.000 0.652 426 A CB 0.310 19.414 19.000 0.174 0.000 0.808 426 A HN 0.384 nan 8.150 nan 0.000 0.449 427 I N -1.458 119.236 120.570 0.207 0.000 2.722 427 I HA 0.540 4.710 4.170 -0.000 0.000 0.295 427 I C -0.417 175.812 176.117 0.186 0.000 1.161 427 I CA -0.781 60.655 61.300 0.227 0.000 1.032 427 I CB 2.196 40.284 38.000 0.146 0.000 1.244 427 I HN 0.087 nan 8.210 nan 0.000 0.421 428 A N 5.325 128.279 122.820 0.223 0.000 2.317 428 A HA 0.831 5.151 4.320 -0.000 0.000 0.327 428 A C -0.851 176.858 177.584 0.210 0.000 1.178 428 A CA -0.521 51.660 52.037 0.240 0.000 0.817 428 A CB 1.471 20.659 19.000 0.313 0.000 1.189 428 A HN 0.423 nan 8.150 nan 0.000 0.489 429 V N 2.911 122.912 119.914 0.146 0.000 2.448 429 V HA 0.728 4.848 4.120 -0.000 0.000 0.295 429 V C -0.871 175.247 176.094 0.040 0.000 1.025 429 V CA -0.255 61.995 62.300 -0.083 0.000 0.859 429 V CB 0.565 32.200 31.823 -0.314 0.000 0.988 429 V HN 0.900 nan 8.190 nan 0.000 0.431 430 F N 1.281 121.107 119.950 -0.207 0.000 2.665 430 F HA 0.735 5.262 4.527 -0.000 0.000 0.308 430 F C -0.784 174.945 175.800 -0.119 0.000 1.112 430 F CA -1.008 56.946 58.000 -0.077 0.000 0.972 430 F CB 1.555 40.562 39.000 0.013 0.000 1.295 430 F HN 0.472 nan 8.300 nan 0.000 0.440 431 E N 2.249 122.577 120.200 0.213 0.000 2.248 431 E HA 0.706 5.056 4.350 -0.000 0.000 0.272 431 E C -1.103 175.645 176.600 0.246 0.000 1.008 431 E CA -1.001 55.462 56.400 0.105 0.000 0.856 431 E CB 1.513 31.367 29.700 0.256 0.000 1.120 431 E HN 0.860 nan 8.360 nan 0.000 0.397 432 R N 2.453 123.055 120.500 0.170 0.000 2.604 432 R HA 0.191 4.531 4.340 -0.000 0.000 0.270 432 R C -1.570 174.826 176.300 0.159 0.000 1.052 432 R CA -0.952 55.269 56.100 0.202 0.000 0.902 432 R CB 0.404 30.833 30.300 0.215 0.000 1.233 432 R HN 0.555 nan 8.270 nan 0.000 0.455 433 Y N 2.064 122.405 120.300 0.068 0.000 2.526 433 Y HA 0.371 4.921 4.550 -0.000 0.000 0.330 433 Y C -0.315 175.592 175.900 0.011 0.000 1.156 433 Y CA 0.493 58.617 58.100 0.040 0.000 1.419 433 Y CB 1.091 39.569 38.460 0.029 0.000 1.250 433 Y HN 0.825 nan 8.280 nan 0.000 0.540 434 A N 5.593 127.998 122.820 -0.691 0.000 2.956 434 A HA 0.626 4.946 4.320 -0.000 0.000 0.294 434 A C 0.650 177.852 177.584 -0.637 0.000 0.993 434 A CA 0.134 51.867 52.037 -0.506 0.000 1.032 434 A CB -0.845 17.977 19.000 -0.297 0.000 1.129 434 A HN 1.769 nan 8.150 nan 0.000 0.505 435 G N 0.636 108.711 108.800 -1.209 0.000 2.698 435 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.225 435 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.225 435 G C -3.199 171.463 174.900 -0.397 0.000 1.345 435 G CA -0.427 44.342 45.100 -0.553 0.000 0.871 435 G HN 0.451 nan 8.290 nan 0.000 0.540 436 P HA 0.341 nan 4.420 nan 0.000 0.281 436 P C 0.418 177.662 177.300 -0.094 0.000 1.252 436 P CA -0.041 63.024 63.100 -0.059 0.000 0.778 436 P CB 1.736 33.439 31.700 0.005 0.000 0.895 437 E N 4.089 124.202 120.200 -0.146 0.000 2.106 437 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 437 E C -0.149 176.447 176.600 -0.006 0.000 0.984 437 E CA 1.547 57.879 56.400 -0.115 0.000 0.806 437 E CB -0.321 29.264 29.700 -0.193 0.000 0.750 437 E HN 0.565 nan 8.360 nan 0.000 0.458 438 Y N -2.811 117.494 120.300 0.010 0.000 2.604 438 Y HA 0.592 5.142 4.550 -0.000 0.000 0.331 438 Y C -1.304 174.613 175.900 0.030 0.000 1.158 438 Y CA -1.699 56.409 58.100 0.014 0.000 1.056 438 Y CB 0.608 39.070 38.460 0.004 0.000 1.330 438 Y HN -0.140 nan 8.280 nan 0.000 0.457 439 K N 1.732 122.321 120.400 0.315 0.000 2.525 439 K HA 0.552 4.872 4.320 -0.000 0.000 0.254 439 K C -2.528 174.224 176.600 0.252 0.000 0.934 439 K CA -0.821 55.606 56.287 0.233 0.000 0.802 439 K CB 2.004 34.574 32.500 0.117 0.000 1.295 439 K HN 1.030 nan 8.250 nan 0.000 0.433 440 H N 2.053 121.187 119.070 0.106 0.000 2.877 440 H HA 0.256 4.812 4.556 -0.000 0.000 0.347 440 H C -1.685 173.668 175.328 0.042 0.000 1.042 440 H CA -0.383 55.696 56.048 0.052 0.000 1.276 440 H CB 1.859 31.636 29.762 0.024 0.000 1.681 440 H HN 0.518 nan 8.280 nan 0.000 0.521 441 Q N 3.752 123.249 119.800 -0.505 0.000 2.509 441 Q HA 0.232 4.572 4.340 -0.000 0.000 0.236 441 Q C -0.840 174.792 176.000 -0.613 0.000 1.073 441 Q CA -0.752 54.816 55.803 -0.391 0.000 0.867 441 Q CB 0.560 29.191 28.738 -0.178 0.000 1.181 441 Q HN 0.641 nan 8.270 nan 0.000 0.526 442 E N 2.967 122.813 120.200 -0.590 0.000 2.384 442 E HA 0.152 4.502 4.350 -0.000 0.000 0.266 442 E C -0.475 176.048 176.600 -0.127 0.000 1.012 442 E CA -0.401 55.822 56.400 -0.296 0.000 0.901 442 E CB 0.459 30.163 29.700 0.007 0.000 0.967 442 E HN 0.683 nan 8.360 nan 0.000 0.435 443 M N 4.342 123.906 119.600 -0.061 0.000 2.248 443 M HA 0.164 4.644 4.480 -0.000 0.000 0.343 443 M C 1.144 177.430 176.300 -0.022 0.000 1.243 443 M CA 1.565 56.845 55.300 -0.033 0.000 1.025 443 M CB -0.319 32.276 32.600 -0.008 0.000 1.759 443 M HN 0.713 nan 8.290 nan 0.000 0.452 444 G N 2.741 111.528 108.800 -0.022 0.000 2.180 444 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.263 444 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.263 444 G C 0.015 174.906 174.900 -0.015 0.000 0.989 444 G CA 0.582 45.673 45.100 -0.015 0.000 0.692 444 G HN 0.726 nan 8.290 nan 0.000 0.526 445 Q N -0.417 119.368 119.800 -0.024 0.000 2.399 445 Q HA 0.514 4.854 4.340 -0.000 0.000 0.276 445 Q C -2.556 173.430 176.000 -0.023 0.000 1.098 445 Q CA -1.967 53.826 55.803 -0.018 0.000 0.827 445 Q CB 1.688 30.420 28.738 -0.011 0.000 1.386 445 Q HN 0.149 nan 8.270 nan 0.000 0.443 446 P HA 0.016 nan 4.420 nan 0.000 0.265 446 P C -0.157 177.135 177.300 -0.012 0.000 1.193 446 P CA -0.087 63.008 63.100 -0.009 0.000 0.765 446 P CB 0.392 32.092 31.700 0.001 0.000 0.823 447 N N 1.901 120.591 118.700 -0.015 0.000 2.381 447 N HA 0.157 4.897 4.740 -0.000 0.000 0.241 447 N C -1.083 174.440 175.510 0.021 0.000 1.279 447 N CA 0.145 53.186 53.050 -0.014 0.000 0.896 447 N CB 0.341 38.821 38.487 -0.012 0.000 1.118 447 N HN 0.059 nan 8.380 nan 0.000 0.438 448 V N 1.331 121.274 119.914 0.048 0.000 2.525 448 V HA 0.510 4.630 4.120 -0.000 0.000 0.299 448 V C -0.766 175.402 176.094 0.122 0.000 1.034 448 V CA -0.621 61.742 62.300 0.104 0.000 0.863 448 V CB 1.348 33.264 31.823 0.156 0.000 0.999 448 V HN 0.723 nan 8.190 nan 0.000 0.423 449 S N 2.422 118.163 115.700 0.068 0.000 2.536 449 S HA 0.821 5.291 4.470 -0.000 0.000 0.271 449 S C -0.365 174.164 174.600 -0.118 0.000 1.134 449 S CA -0.676 57.523 58.200 -0.002 0.000 0.897 449 S CB 2.322 65.525 63.200 0.004 0.000 1.094 449 S HN 0.956 nan 8.310 nan 0.000 0.473 450 T N -0.266 114.096 114.554 -0.321 0.000 2.893 450 T HA 0.586 4.936 4.350 -0.000 0.000 0.291 450 T C -0.824 173.750 174.700 -0.210 0.000 1.028 450 T CA -1.042 60.864 62.100 -0.323 0.000 0.995 450 T CB 1.245 69.769 68.868 -0.574 0.000 1.051 450 T HN 0.489 nan 8.240 nan 0.000 0.470 451 E N 1.220 121.374 120.200 -0.077 0.000 2.384 451 E HA 0.166 4.516 4.350 -0.000 0.000 0.266 451 E C 0.032 176.590 176.600 -0.070 0.000 1.012 451 E CA -0.411 56.001 56.400 0.020 0.000 0.901 451 E CB 1.112 30.893 29.700 0.135 0.000 0.967 451 E HN 0.450 nan 8.360 nan 0.000 0.435 452 R N 2.708 123.124 120.500 -0.139 0.000 2.308 452 R HA 0.163 4.503 4.340 -0.000 0.000 0.305 452 R C -0.480 175.771 176.300 -0.081 0.000 1.053 452 R CA -0.435 55.594 56.100 -0.117 0.000 0.957 452 R CB 0.562 30.761 30.300 -0.168 0.000 1.022 452 R HN 0.365 nan 8.270 nan 0.000 0.461 453 R N 3.049 123.588 120.500 0.065 0.000 2.711 453 R HA 0.369 4.709 4.340 -0.000 0.000 0.284 453 R C -0.825 175.612 176.300 0.228 0.000 0.968 453 R CA -0.779 55.429 56.100 0.179 0.000 0.924 453 R CB 1.994 32.505 30.300 0.351 0.000 1.162 453 R HN 0.741 nan 8.270 nan 0.000 0.465 454 E N 1.062 121.313 120.200 0.085 0.000 2.317 454 E HA 0.378 4.728 4.350 -0.000 0.000 0.270 454 E C -1.079 175.313 176.600 -0.346 0.000 0.885 454 E CA -1.059 55.284 56.400 -0.096 0.000 0.760 454 E CB 2.610 32.105 29.700 -0.342 0.000 1.227 454 E HN 0.103 nan 8.360 nan 0.000 0.434 455 L N 2.497 123.250 121.223 -0.784 0.000 2.282 455 L HA 0.436 4.776 4.340 -0.000 0.000 0.288 455 L C -1.378 175.136 176.870 -0.592 0.000 1.033 455 L CA -0.558 53.686 54.840 -0.992 0.000 0.807 455 L CB 1.417 42.492 42.059 -1.641 0.000 1.209 455 L HN 0.332 nan 8.230 nan 0.000 0.423 456 V N 5.413 124.888 119.914 -0.731 0.000 2.555 456 V HA 0.519 4.639 4.120 -0.000 0.000 0.302 456 V C -0.585 175.191 176.094 -0.530 0.000 1.038 456 V CA -0.777 61.105 62.300 -0.697 0.000 0.887 456 V CB 2.040 33.134 31.823 -1.215 0.000 0.991 456 V HN 0.460 nan 8.190 nan 0.000 0.434 457 V N 4.999 124.810 119.914 -0.172 0.000 2.334 457 V HA 0.517 4.637 4.120 -0.000 0.000 0.281 457 V C 0.058 176.251 176.094 0.165 0.000 1.016 457 V CA -0.592 61.711 62.300 0.006 0.000 0.832 457 V CB 1.299 33.183 31.823 0.102 0.000 0.999 457 V HN 0.862 nan 8.190 nan 0.000 0.439 458 R N 3.823 124.454 120.500 0.218 0.000 2.445 458 R HA 0.546 4.886 4.340 -0.000 0.000 0.308 458 R C -1.741 174.826 176.300 0.445 0.000 0.961 458 R CA -0.570 55.745 56.100 0.359 0.000 0.862 458 R CB 1.476 32.029 30.300 0.421 0.000 1.144 458 R HN 0.707 nan 8.270 nan 0.000 0.447 459 W N 6.943 128.412 121.300 0.283 0.000 2.957 459 W HA 0.518 5.178 4.660 -0.000 0.000 0.336 459 W C -1.864 174.829 176.519 0.290 0.000 1.087 459 W CA -0.785 56.714 57.345 0.256 0.000 1.235 459 W CB 1.128 30.739 29.460 0.252 0.000 1.399 459 W HN 0.405 nan 8.180 nan 0.000 0.480 460 I N 5.681 126.026 120.570 -0.373 0.000 2.406 460 I HA 0.398 4.568 4.170 -0.000 0.000 0.290 460 I C -0.120 175.546 176.117 -0.752 0.000 0.999 460 I CA -0.884 60.125 61.300 -0.486 0.000 1.124 460 I CB 1.792 39.667 38.000 -0.209 0.000 1.289 460 I HN 0.378 nan 8.210 nan 0.000 0.441 461 S N 3.703 118.985 115.700 -0.697 0.000 2.542 461 S HA 0.657 5.127 4.470 -0.000 0.000 0.293 461 S C -0.690 173.806 174.600 -0.173 0.000 1.089 461 S CA -0.280 57.672 58.200 -0.413 0.000 0.961 461 S CB 1.853 64.796 63.200 -0.429 0.000 1.062 461 S HN 0.583 nan 8.310 nan 0.000 0.483 462 T N 3.316 117.811 114.554 -0.098 0.000 2.809 462 T HA 0.560 4.910 4.350 -0.000 0.000 0.284 462 T C -1.259 173.414 174.700 -0.046 0.000 0.992 462 T CA -0.423 61.606 62.100 -0.118 0.000 0.957 462 T CB 1.201 69.988 68.868 -0.134 0.000 0.942 462 T HN 0.460 nan 8.240 nan 0.000 0.439 463 V N 3.488 123.359 119.914 -0.073 0.000 2.409 463 V HA 0.698 4.818 4.120 -0.000 0.000 0.290 463 V C 1.046 177.043 176.094 -0.161 0.000 1.017 463 V CA 0.074 62.347 62.300 -0.046 0.000 0.841 463 V CB 0.654 32.484 31.823 0.011 0.000 1.003 463 V HN 1.202 nan 8.190 nan 0.000 0.426 464 G N 5.894 114.697 108.800 0.005 0.000 2.634 464 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.318 464 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.318 464 G C 0.298 175.050 174.900 -0.246 0.000 1.207 464 G CA 0.635 45.801 45.100 0.109 0.000 0.987 464 G HN 0.946 nan 8.290 nan 0.000 0.547 468 Y N 0.545 120.673 120.300 -0.286 0.000 2.409 468 Y HA 0.667 5.217 4.550 -0.000 0.000 0.343 468 Y C -0.046 175.546 175.900 -0.513 0.000 0.973 468 Y CA -0.953 56.909 58.100 -0.397 0.000 1.064 468 Y CB 1.482 39.809 38.460 -0.220 0.000 1.207 468 Y HN 0.219 nan 8.280 nan 0.000 0.452 469 I N 3.727 123.968 120.570 -0.548 0.000 2.404 469 I HA 0.414 4.584 4.170 -0.000 0.000 0.293 469 I C -1.224 174.555 176.117 -0.564 0.000 0.992 469 I CA -0.605 60.445 61.300 -0.417 0.000 1.149 469 I CB 1.112 38.883 38.000 -0.382 0.000 1.315 469 I HN 0.379 nan 8.210 nan 0.000 0.446 470 F N 3.217 123.269 119.950 0.171 0.000 2.507 470 F HA 0.431 4.958 4.527 -0.000 0.000 0.325 470 F C -0.380 175.593 175.800 0.289 0.000 1.116 470 F CA -0.771 57.386 58.000 0.261 0.000 0.930 470 F CB 1.560 40.858 39.000 0.496 0.000 1.146 470 F HN 0.311 nan 8.300 nan 0.000 0.447 471 D N 2.350 122.902 120.400 0.253 0.000 2.408 471 D HA 0.255 4.895 4.640 -0.000 0.000 0.243 471 D C -1.384 174.810 176.300 -0.177 0.000 1.075 471 D CA -0.243 53.824 54.000 0.111 0.000 0.832 471 D CB 1.192 42.003 40.800 0.018 0.000 1.162 471 D HN 0.312 nan 8.370 nan 0.000 0.515 472 W N 2.722 123.924 121.300 -0.164 0.000 2.376 472 W HA 0.535 5.195 4.660 -0.000 0.000 0.312 472 W C -0.069 176.129 176.519 -0.534 0.000 1.060 472 W CA -0.599 56.512 57.345 -0.390 0.000 1.221 472 W CB 0.767 30.012 29.460 -0.359 0.000 1.281 472 W HN 0.136 nan 8.180 nan 0.000 0.456 473 I N 4.498 124.738 120.570 -0.551 0.000 2.411 473 I HA 0.304 4.474 4.170 -0.000 0.000 0.284 473 I C -1.006 174.770 176.117 -0.569 0.000 1.012 473 I CA -0.881 60.141 61.300 -0.462 0.000 1.119 473 I CB 0.678 38.493 38.000 -0.308 0.000 1.261 473 I HN 0.091 nan 8.210 nan 0.000 0.448 474 F N 4.488 124.228 119.950 -0.350 0.000 2.391 474 F HA 0.378 4.905 4.527 -0.000 0.000 0.359 474 F C 0.894 176.785 175.800 0.152 0.000 1.122 474 F CA -0.443 57.365 58.000 -0.320 0.000 1.120 474 F CB 0.311 38.834 39.000 -0.795 0.000 1.142 474 F HN 0.377 nan 8.300 nan 0.000 0.483 475 H N 2.984 122.271 119.070 0.363 0.000 2.582 475 H HA 0.102 4.658 4.556 -0.000 0.000 0.345 475 H C 0.798 176.621 175.328 0.825 0.000 1.104 475 H CA -0.346 55.997 56.048 0.491 0.000 1.390 475 H CB 1.306 31.238 29.762 0.284 0.000 1.461 475 H HN 0.743 nan 8.280 nan 0.000 0.551 476 E N 1.720 122.336 120.200 0.693 0.000 2.130 476 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 476 E C 1.330 178.156 176.600 0.377 0.000 0.998 476 E CA 1.624 58.261 56.400 0.395 0.000 0.806 476 E CB 0.025 29.803 29.700 0.129 0.000 0.738 476 E HN 0.630 nan 8.360 nan 0.000 0.459 477 N N -0.741 118.165 118.700 0.343 0.000 2.521 477 N HA -0.016 4.724 4.740 -0.000 0.000 0.188 477 N C 1.085 176.644 175.510 0.082 0.000 1.146 477 N CA 1.099 54.231 53.050 0.136 0.000 0.893 477 N CB 0.648 39.192 38.487 0.094 0.000 0.975 477 N HN 0.197 nan 8.380 nan 0.000 0.451 478 G N -1.862 107.191 108.800 0.422 0.000 2.238 478 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 478 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 478 G C 0.133 175.432 174.900 0.666 0.000 0.996 478 G CA 0.145 45.498 45.100 0.423 0.000 0.632 478 G HN 0.458 nan 8.290 nan 0.000 0.503 479 T N 1.228 116.003 114.554 0.369 0.000 2.898 479 T HA 0.582 4.932 4.350 -0.000 0.000 0.301 479 T C 0.300 175.058 174.700 0.097 0.000 1.049 479 T CA 0.505 62.664 62.100 0.099 0.000 1.095 479 T CB 1.469 70.092 68.868 -0.409 0.000 0.976 479 T HN 0.336 nan 8.240 nan 0.000 0.539 480 I N 1.761 122.298 120.570 -0.054 0.000 2.439 480 I HA 0.443 4.613 4.170 -0.000 0.000 0.285 480 I C 0.717 176.667 176.117 -0.279 0.000 1.021 480 I CA -0.717 60.434 61.300 -0.249 0.000 1.091 480 I CB 1.689 39.476 38.000 -0.354 0.000 1.242 480 I HN 0.704 nan 8.210 nan 0.000 0.439 481 G N 6.840 115.493 108.800 -0.246 0.000 2.425 481 G HA2 0.802 4.762 3.960 -0.000 0.000 0.302 481 G HA3 0.802 4.762 3.960 -0.000 0.000 0.302 481 G C -0.685 173.943 174.900 -0.453 0.000 1.159 481 G CA -0.428 44.521 45.100 -0.251 0.000 0.865 481 G HN 0.514 nan 8.290 nan 0.000 0.515 482 I N 1.245 121.500 120.570 -0.524 0.000 2.500 482 I HA 0.267 4.437 4.170 -0.000 0.000 0.286 482 I C -1.474 174.313 176.117 -0.551 0.000 1.063 482 I CA -0.829 59.974 61.300 -0.828 0.000 1.062 482 I CB 2.334 39.502 38.000 -1.387 0.000 1.223 482 I HN 0.225 nan 8.210 nan 0.000 0.435 483 D N 4.962 125.150 120.400 -0.354 0.000 2.350 483 D HA 0.732 5.372 4.640 -0.000 0.000 0.245 483 D C -0.590 175.697 176.300 -0.023 0.000 1.036 483 D CA -0.260 53.692 54.000 -0.081 0.000 0.848 483 D CB 2.491 43.321 40.800 0.050 0.000 1.307 483 D HN 0.598 nan 8.370 nan 0.000 0.469 484 A N 0.931 123.677 122.820 -0.125 0.000 2.330 484 A HA 0.754 5.074 4.320 -0.000 0.000 0.313 484 A C 0.095 177.283 177.584 -0.660 0.000 1.124 484 A CA -0.666 51.004 52.037 -0.612 0.000 0.774 484 A CB 1.397 19.724 19.000 -1.122 0.000 1.198 484 A HN 0.482 nan 8.150 nan 0.000 0.465 485 G N 0.400 108.564 108.800 -1.060 0.000 2.420 485 G HA2 0.721 4.681 3.960 -0.000 0.000 0.331 485 G HA3 0.721 4.681 3.960 -0.000 0.000 0.331 485 G C -0.463 173.932 174.900 -0.842 0.000 1.168 485 G CA 0.028 44.241 45.100 -1.478 0.000 0.936 485 G HN 1.544 nan 8.290 nan 0.000 0.479 486 A N 1.001 123.413 122.820 -0.681 0.000 2.343 486 A HA 0.896 5.216 4.320 -0.000 0.000 0.308 486 A C -0.109 177.181 177.584 -0.491 0.000 1.092 486 A CA -0.341 51.414 52.037 -0.470 0.000 0.751 486 A CB 2.073 20.847 19.000 -0.377 0.000 1.203 486 A HN 1.149 nan 8.150 nan 0.000 0.452 487 T N 0.537 114.801 114.554 -0.484 0.000 2.626 487 T HA 0.810 5.160 4.350 -0.000 0.000 0.299 487 T C 0.420 174.868 174.700 -0.419 0.000 1.181 487 T CA 1.020 62.886 62.100 -0.390 0.000 1.053 487 T CB 0.738 69.389 68.868 -0.361 0.000 1.566 487 T HN 2.738 nan 8.240 nan 0.000 0.486 488 G N 0.544 109.107 108.800 -0.396 0.000 2.466 488 G HA2 0.001 3.961 3.960 -0.000 0.000 0.218 488 G HA3 0.001 3.961 3.960 -0.000 0.000 0.218 488 G C -1.259 173.367 174.900 -0.456 0.000 1.237 488 G CA -0.181 44.629 45.100 -0.484 0.000 0.954 488 G HN 0.955 nan 8.290 nan 0.000 0.580 489 I N 1.757 122.003 120.570 -0.540 0.000 2.406 489 I HA 0.351 4.521 4.170 -0.000 0.000 0.290 489 I C 0.419 176.350 176.117 -0.311 0.000 0.999 489 I CA -0.646 60.365 61.300 -0.482 0.000 1.124 489 I CB 1.288 38.829 38.000 -0.764 0.000 1.289 489 I HN 0.604 nan 8.210 nan 0.000 0.441 490 E N 3.846 124.073 120.200 0.045 0.000 2.392 490 E HA 0.307 4.657 4.350 -0.000 0.000 0.264 490 E C 0.071 176.741 176.600 0.117 0.000 1.024 490 E CA -0.385 56.078 56.400 0.105 0.000 0.903 490 E CB 1.213 31.037 29.700 0.206 0.000 0.963 490 E HN 0.671 nan 8.360 nan 0.000 0.432 491 A N 2.930 125.789 122.820 0.065 0.000 2.438 491 A HA 0.265 4.585 4.320 -0.000 0.000 0.280 491 A C 0.321 178.108 177.584 0.339 0.000 1.160 491 A CA -0.491 51.666 52.037 0.200 0.000 0.821 491 A CB -0.371 18.664 19.000 0.060 0.000 1.101 491 A HN 0.407 nan 8.150 nan 0.000 0.515 492 V N 0.688 120.841 119.914 0.398 0.000 2.850 492 V HA 0.700 4.820 4.120 -0.000 0.000 0.315 492 V C -0.113 176.263 176.094 0.471 0.000 1.064 492 V CA -1.129 61.324 62.300 0.256 0.000 0.979 492 V CB 1.645 33.417 31.823 -0.086 0.000 1.039 492 V HN 0.821 nan 8.190 nan 0.000 0.452 493 K N 1.771 122.298 120.400 0.211 0.000 2.274 493 K HA 0.628 4.948 4.320 -0.000 0.000 0.262 493 K C 0.197 176.873 176.600 0.128 0.000 0.961 493 K CA -0.295 56.158 56.287 0.275 0.000 0.833 493 K CB 1.422 33.852 32.500 -0.116 0.000 1.102 493 K HN 1.198 nan 8.250 nan 0.000 0.436 494 G N 2.653 111.555 108.800 0.169 0.000 2.378 494 G HA2 0.387 4.347 3.960 -0.000 0.000 0.255 494 G HA3 0.387 4.347 3.960 -0.000 0.000 0.255 494 G C -0.395 174.548 174.900 0.071 0.000 1.270 494 G CA -0.329 44.835 45.100 0.108 0.000 0.876 494 G HN 0.481 nan 8.290 nan 0.000 0.521 495 V N 0.125 120.065 119.914 0.044 0.000 3.130 495 V HA 0.578 4.698 4.120 -0.000 0.000 0.310 495 V C 0.809 176.923 176.094 0.033 0.000 1.158 495 V CA -1.157 61.160 62.300 0.028 0.000 1.029 495 V CB 2.091 33.913 31.823 -0.003 0.000 1.057 495 V HN 0.654 nan 8.190 nan 0.000 0.436 496 K N 1.282 121.698 120.400 0.026 0.000 2.155 496 K HA 0.287 4.607 4.320 -0.000 0.000 0.203 496 K C 1.068 177.684 176.600 0.027 0.000 1.052 496 K CA 1.254 57.558 56.287 0.027 0.000 0.948 496 K CB -0.048 32.464 32.500 0.020 0.000 0.728 496 K HN 0.958 nan 8.250 nan 0.000 0.448 497 A N 1.838 124.669 122.820 0.020 0.000 2.477 497 A HA 0.032 4.352 4.320 -0.000 0.000 0.246 497 A C 0.669 178.282 177.584 0.050 0.000 1.078 497 A CA 0.154 52.205 52.037 0.023 0.000 0.770 497 A CB 0.431 19.433 19.000 0.002 0.000 1.011 497 A HN 0.157 nan 8.150 nan 0.000 0.494 498 K N 0.111 120.552 120.400 0.069 0.000 2.287 498 K HA 0.079 4.399 4.320 -0.000 0.000 0.199 498 K C 0.716 177.452 176.600 0.228 0.000 1.061 498 K CA 1.375 57.748 56.287 0.143 0.000 0.976 498 K CB 0.305 32.821 32.500 0.026 0.000 0.898 498 K HN 0.916 nan 8.250 nan 0.000 0.492 499 T N -3.000 111.629 114.554 0.124 0.000 2.838 499 T HA 0.248 4.598 4.350 -0.000 0.000 0.292 499 T C 0.731 175.417 174.700 -0.023 0.000 1.113 499 T CA -0.809 61.340 62.100 0.083 0.000 1.008 499 T CB 1.240 70.194 68.868 0.143 0.000 1.259 499 T HN -0.274 nan 8.240 nan 0.000 0.520 500 M N 0.789 120.297 119.600 -0.152 0.000 2.632 500 M HA -0.003 4.477 4.480 -0.000 0.000 0.256 500 M C 1.613 177.764 176.300 -0.249 0.000 1.080 500 M CA 1.117 56.287 55.300 -0.217 0.000 1.084 500 M CB -1.456 30.982 32.600 -0.271 0.000 1.439 500 M HN 0.644 nan 8.290 nan 0.000 0.509 501 H N -0.367 118.709 119.070 0.010 0.000 2.470 501 H HA 0.080 4.636 4.556 -0.000 0.000 0.289 501 H C 0.129 175.458 175.328 0.002 0.000 1.033 501 H CA 0.266 56.317 56.048 0.005 0.000 1.331 501 H CB -0.111 29.657 29.762 0.010 0.000 1.414 501 H HN 0.259 nan 8.280 nan 0.000 0.545 502 D N 1.219 121.675 120.400 0.094 0.000 2.378 502 D HA -0.044 4.596 4.640 -0.000 0.000 0.238 502 D C 1.434 177.750 176.300 0.028 0.000 1.180 502 D CA 0.119 54.152 54.000 0.055 0.000 0.895 502 D CB 0.948 41.772 40.800 0.040 0.000 1.192 502 D HN 0.388 nan 8.370 nan 0.000 0.438 503 E N -0.143 120.070 120.200 0.020 0.000 2.077 503 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 503 E C 1.668 178.267 176.600 -0.003 0.000 0.989 503 E CA 1.404 57.809 56.400 0.009 0.000 0.800 503 E CB -0.369 29.335 29.700 0.007 0.000 0.746 503 E HN 0.586 nan 8.360 nan 0.000 0.452 504 T N -0.670 113.883 114.554 -0.003 0.000 3.051 504 T HA 0.113 4.463 4.350 -0.000 0.000 0.269 504 T C 2.026 176.710 174.700 -0.027 0.000 1.127 504 T CA 0.619 62.712 62.100 -0.012 0.000 1.107 504 T CB -0.123 68.742 68.868 -0.004 0.000 0.898 504 T HN 0.223 nan 8.240 nan 0.000 0.517 505 A N 2.613 125.417 122.820 -0.027 0.000 1.903 505 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 505 A C 2.357 179.899 177.584 -0.070 0.000 1.191 505 A CA 2.327 54.337 52.037 -0.046 0.000 0.638 505 A CB -0.842 18.129 19.000 -0.050 0.000 0.823 505 A HN 0.676 nan 8.150 nan 0.000 0.451 506 K N -0.890 119.469 120.400 -0.068 0.000 2.062 506 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 506 K C 1.333 177.861 176.600 -0.120 0.000 1.051 506 K CA 1.570 57.803 56.287 -0.090 0.000 0.941 506 K CB -0.198 32.258 32.500 -0.074 0.000 0.719 506 K HN 0.382 nan 8.250 nan 0.000 0.440 507 D N 1.234 121.575 120.400 -0.098 0.000 2.144 507 D HA -0.139 4.501 4.640 -0.000 0.000 0.200 507 D C 1.393 177.615 176.300 -0.131 0.000 0.978 507 D CA 1.033 54.963 54.000 -0.115 0.000 0.833 507 D CB -0.278 40.486 40.800 -0.059 0.000 0.961 507 D HN 0.283 nan 8.370 nan 0.000 0.470 508 D N -0.191 120.154 120.400 -0.091 0.000 2.221 508 D HA -0.094 4.546 4.640 -0.000 0.000 0.204 508 D C 1.668 177.897 176.300 -0.118 0.000 0.982 508 D CA 1.210 55.161 54.000 -0.081 0.000 0.857 508 D CB -0.129 40.636 40.800 -0.058 0.000 0.934 508 D HN 0.322 nan 8.370 nan 0.000 0.475 509 T N -3.007 111.457 114.554 -0.150 0.000 3.174 509 T HA 0.218 4.568 4.350 -0.000 0.000 0.269 509 T C 1.442 176.000 174.700 -0.237 0.000 1.017 509 T CA -0.506 61.496 62.100 -0.163 0.000 0.899 509 T CB 0.601 69.391 68.868 -0.130 0.000 1.077 509 T HN -0.052 nan 8.240 nan 0.000 0.552 510 R N 0.350 120.620 120.500 -0.382 0.000 2.120 510 R HA -0.053 4.287 4.340 -0.000 0.000 0.234 510 R C 0.388 176.292 176.300 -0.660 0.000 1.123 510 R CA 1.409 57.131 56.100 -0.629 0.000 0.975 510 R CB -0.082 29.608 30.300 -1.015 0.000 0.866 510 R HN 0.551 nan 8.270 nan 0.000 0.446 511 Y N -1.677 118.547 120.300 -0.127 0.000 2.612 511 Y HA 0.490 5.040 4.550 -0.000 0.000 0.250 511 Y C 0.451 176.252 175.900 -0.165 0.000 1.175 511 Y CA -0.000 58.013 58.100 -0.145 0.000 1.205 511 Y CB 1.523 39.881 38.460 -0.170 0.000 1.201 511 Y HN 0.124 nan 8.280 nan 0.000 0.532 512 G N -0.861 107.893 108.800 -0.076 0.000 2.338 512 G HA2 0.312 4.272 3.960 -0.000 0.000 0.295 512 G HA3 0.312 4.272 3.960 -0.000 0.000 0.295 512 G C -1.261 173.572 174.900 -0.111 0.000 1.461 512 G CA -1.004 44.039 45.100 -0.095 0.000 0.817 512 G HN -0.199 nan 8.290 nan 0.000 0.556 513 T N 0.790 115.282 114.554 -0.103 0.000 2.869 513 T HA 0.385 4.735 4.350 -0.000 0.000 0.295 513 T C 0.378 175.007 174.700 -0.118 0.000 0.987 513 T CA -0.138 61.904 62.100 -0.096 0.000 1.109 513 T CB 1.396 70.222 68.868 -0.070 0.000 0.932 513 T HN 0.630 nan 8.240 nan 0.000 0.518 514 L N 5.552 126.709 121.223 -0.111 0.000 2.485 514 L HA 0.273 4.613 4.340 -0.000 0.000 0.279 514 L C 0.929 177.721 176.870 -0.131 0.000 1.124 514 L CA 0.256 55.023 54.840 -0.121 0.000 0.888 514 L CB -0.422 41.582 42.059 -0.092 0.000 1.217 514 L HN 0.736 nan 8.230 nan 0.000 0.464 515 I N -0.075 120.377 120.570 -0.196 0.000 3.939 515 I HA 0.439 4.609 4.170 -0.000 0.000 0.313 515 I C 0.107 176.096 176.117 -0.213 0.000 1.274 515 I CA 0.023 61.212 61.300 -0.184 0.000 1.301 515 I CB 0.323 38.202 38.000 -0.203 0.000 1.105 515 I HN 0.452 nan 8.210 nan 0.000 0.427 516 D N -0.282 119.940 120.400 -0.297 0.000 2.626 516 D HA 0.267 4.907 4.640 -0.000 0.000 0.278 516 D C -0.752 175.448 176.300 -0.166 0.000 1.211 516 D CA -0.546 53.318 54.000 -0.225 0.000 0.903 516 D CB 1.367 42.079 40.800 -0.148 0.000 1.408 516 D HN -0.009 nan 8.370 nan 0.000 0.454 517 H N 1.396 120.483 119.070 0.030 0.000 3.157 517 H HA 0.083 4.639 4.556 -0.000 0.000 0.299 517 H C 0.449 175.788 175.328 0.019 0.000 0.961 517 H CA 1.060 57.127 56.048 0.031 0.000 1.428 517 H CB -0.255 29.545 29.762 0.064 0.000 1.459 517 H HN 0.490 nan 8.280 nan 0.000 0.566 518 N N 0.781 119.552 118.700 0.118 0.000 2.828 518 N HA -0.199 4.541 4.740 -0.000 0.000 0.248 518 N C -0.844 174.676 175.510 0.017 0.000 1.044 518 N CA 0.769 53.861 53.050 0.071 0.000 0.851 518 N CB -0.776 37.776 38.487 0.109 0.000 1.136 518 N HN 0.500 nan 8.380 nan 0.000 0.572 519 I N 0.539 121.071 120.570 -0.064 0.000 2.478 519 I HA 0.392 4.562 4.170 -0.000 0.000 0.287 519 I C -0.629 175.339 176.117 -0.249 0.000 1.042 519 I CA -0.848 60.343 61.300 -0.181 0.000 1.067 519 I CB 2.023 39.816 38.000 -0.345 0.000 1.233 519 I HN -0.257 nan 8.210 nan 0.000 0.431 520 V N 4.880 124.669 119.914 -0.208 0.000 2.448 520 V HA 0.469 4.589 4.120 -0.000 0.000 0.295 520 V C 0.601 176.558 176.094 -0.229 0.000 1.025 520 V CA -0.530 61.645 62.300 -0.208 0.000 0.859 520 V CB 1.858 33.581 31.823 -0.167 0.000 0.988 520 V HN 0.869 nan 8.190 nan 0.000 0.431 521 G N 3.339 112.006 108.800 -0.221 0.000 2.605 521 G HA2 0.255 4.215 3.960 -0.000 0.000 0.301 521 G HA3 0.255 4.215 3.960 -0.000 0.000 0.301 521 G C 0.373 175.206 174.900 -0.113 0.000 0.881 521 G CA -0.091 44.916 45.100 -0.156 0.000 1.553 521 G HN 0.667 nan 8.290 nan 0.000 0.483 522 T N 2.315 116.779 114.554 -0.150 0.000 2.905 522 T HA 0.079 4.429 4.350 -0.000 0.000 0.299 522 T C 1.127 175.916 174.700 0.148 0.000 1.024 522 T CA 0.389 62.396 62.100 -0.155 0.000 1.151 522 T CB 0.526 69.065 68.868 -0.547 0.000 0.987 522 T HN 0.402 nan 8.240 nan 0.000 0.535 523 T N 5.273 119.868 114.554 0.070 0.000 2.930 523 T HA 0.260 4.610 4.350 -0.000 0.000 0.306 523 T C 0.325 175.094 174.700 0.115 0.000 1.045 523 T CA -0.206 61.914 62.100 0.034 0.000 1.134 523 T CB 0.020 68.858 68.868 -0.049 0.000 0.961 523 T HN 0.834 nan 8.240 nan 0.000 0.545 524 H N 0.363 119.290 119.070 -0.237 0.000 2.950 524 H HA 0.512 5.068 4.556 -0.000 0.000 0.272 524 H C -1.226 173.908 175.328 -0.324 0.000 1.495 524 H CA -1.104 54.694 56.048 -0.415 0.000 1.183 524 H CB 0.968 30.106 29.762 -1.041 0.000 1.867 524 H HN 0.514 nan 8.280 nan 0.000 0.597 525 Q N -0.044 119.554 119.800 -0.337 0.000 2.416 525 Q HA 0.391 4.731 4.340 -0.000 0.000 0.279 525 Q C -0.980 174.797 176.000 -0.372 0.000 1.101 525 Q CA -0.982 54.648 55.803 -0.288 0.000 0.830 525 Q CB 2.772 31.444 28.738 -0.111 0.000 1.402 525 Q HN 0.508 nan 8.270 nan 0.000 0.445 526 H N 1.044 120.057 119.070 -0.095 0.000 2.646 526 H HA 0.480 5.036 4.556 -0.000 0.000 0.328 526 H C -0.915 174.179 175.328 -0.390 0.000 0.998 526 H CA -0.322 55.592 56.048 -0.224 0.000 1.225 526 H CB 0.975 30.628 29.762 -0.181 0.000 1.457 526 H HN 0.449 nan 8.280 nan 0.000 0.505 527 I N 4.738 125.114 120.570 -0.323 0.000 2.439 527 I HA 0.170 4.340 4.170 -0.000 0.000 0.283 527 I C -0.968 175.054 176.117 -0.159 0.000 1.023 527 I CA -0.627 60.566 61.300 -0.179 0.000 1.100 527 I CB 0.878 38.858 38.000 -0.033 0.000 1.238 527 I HN 0.362 nan 8.210 nan 0.000 0.445 528 Y N 4.650 125.033 120.300 0.139 0.000 2.361 528 Y HA 0.457 5.007 4.550 -0.000 0.000 0.332 528 Y C 0.346 176.198 175.900 -0.081 0.000 1.101 528 Y CA -0.820 57.271 58.100 -0.015 0.000 1.137 528 Y CB 1.141 39.585 38.460 -0.027 0.000 1.207 528 Y HN 0.463 nan 8.280 nan 0.000 0.463 529 N N 2.401 121.018 118.700 -0.139 0.000 2.352 529 N HA 0.350 5.090 4.740 -0.000 0.000 0.291 529 N C -2.175 173.103 175.510 -0.387 0.000 1.040 529 N CA -0.432 52.546 53.050 -0.121 0.000 0.864 529 N CB 0.944 39.387 38.487 -0.073 0.000 1.440 529 N HN 0.452 nan 8.380 nan 0.000 0.483 530 F N 1.832 121.884 119.950 0.169 0.000 2.427 530 F HA 0.424 4.951 4.527 0.000 0.000 0.346 530 F C 1.084 176.889 175.800 0.009 0.000 1.120 530 F CA -0.835 57.218 58.000 0.087 0.000 1.033 530 F CB 1.239 40.249 39.000 0.017 0.000 1.126 530 F HN 0.244 nan 8.300 nan 0.000 0.462 531 R N 4.730 125.236 120.500 0.009 0.000 2.202 531 R HA 0.573 4.913 4.340 -0.000 0.000 0.334 531 R C -1.577 174.542 176.300 -0.302 0.000 1.036 531 R CA -0.288 55.515 56.100 -0.495 0.000 0.878 531 R CB 0.280 30.140 30.300 -0.732 0.000 1.067 531 R HN 0.805 nan 8.270 nan 0.000 0.457 532 L N 4.637 125.662 121.223 -0.330 0.000 2.454 532 L HA 0.230 4.570 4.340 -0.000 0.000 0.258 532 L C -0.669 176.125 176.870 -0.126 0.000 1.025 532 L CA -0.824 53.939 54.840 -0.128 0.000 0.901 532 L CB 1.589 43.630 42.059 -0.030 0.000 1.210 532 L HN 0.554 nan 8.230 nan 0.000 0.457 533 D N 4.372 124.722 120.400 -0.084 0.000 2.416 533 D HA 0.240 4.880 4.640 -0.000 0.000 0.240 533 D C -0.446 175.908 176.300 0.089 0.000 1.250 533 D CA 0.190 54.210 54.000 0.034 0.000 0.967 533 D CB 0.401 41.281 40.800 0.134 0.000 1.059 533 D HN 0.298 nan 8.370 nan 0.000 0.512 534 L N 2.938 124.203 121.223 0.071 0.000 2.307 534 L HA 0.364 4.704 4.340 -0.000 0.000 0.282 534 L C 0.032 176.971 176.870 0.116 0.000 1.051 534 L CA -0.762 54.126 54.840 0.079 0.000 0.804 534 L CB 1.387 43.454 42.059 0.014 0.000 1.197 534 L HN 0.088 nan 8.230 nan 0.000 0.431 535 D N 2.549 123.044 120.400 0.158 0.000 2.458 535 D HA 0.195 4.835 4.640 -0.000 0.000 0.258 535 D C -0.383 175.967 176.300 0.084 0.000 1.134 535 D CA -0.227 53.839 54.000 0.111 0.000 0.915 535 D CB 1.665 42.538 40.800 0.121 0.000 1.028 535 D HN 0.029 nan 8.370 nan 0.000 0.508 536 V N 2.868 122.844 119.914 0.103 0.000 2.409 536 V HA -0.032 4.088 4.120 -0.000 0.000 0.270 536 V C 1.014 177.236 176.094 0.212 0.000 1.019 536 V CA 0.218 62.635 62.300 0.194 0.000 1.066 536 V CB 0.188 32.159 31.823 0.248 0.000 1.021 536 V HN 0.591 nan 8.190 nan 0.000 0.476 537 D N 3.770 124.330 120.400 0.268 0.000 2.882 537 D HA -0.155 4.485 4.640 -0.000 0.000 0.229 537 D C 0.389 176.662 176.300 -0.045 0.000 1.167 537 D CA 1.823 55.884 54.000 0.101 0.000 0.759 537 D CB -0.946 39.840 40.800 -0.023 0.000 1.088 537 D HN 1.312 nan 8.370 nan 0.000 0.425 538 G N -0.679 108.070 108.800 -0.086 0.000 2.326 538 G HA2 0.127 4.087 3.960 -0.000 0.000 0.413 538 G HA3 0.127 4.087 3.960 -0.000 0.000 0.413 538 G C 0.281 175.133 174.900 -0.081 0.000 1.444 538 G CA 0.220 45.232 45.100 -0.146 0.000 1.002 538 G HN 0.095 nan 8.290 nan 0.000 0.649 539 E N -0.142 120.005 120.200 -0.088 0.000 2.371 539 E HA -0.028 4.322 4.350 -0.000 0.000 0.194 539 E C 0.193 176.793 176.600 0.001 0.000 1.012 539 E CA 0.154 56.534 56.400 -0.033 0.000 0.860 539 E CB 0.008 29.674 29.700 -0.057 0.000 0.811 539 E HN 0.315 nan 8.360 nan 0.000 0.502 540 N N 2.265 120.962 118.700 -0.006 0.000 2.448 540 N HA 0.150 4.890 4.740 -0.000 0.000 0.250 540 N C -1.011 174.516 175.510 0.029 0.000 1.136 540 N CA 0.136 53.193 53.050 0.013 0.000 0.953 540 N CB 0.372 38.860 38.487 0.002 0.000 1.251 540 N HN 0.275 nan 8.380 nan 0.000 0.502 541 N N -0.241 118.487 118.700 0.047 0.000 2.469 541 N HA 0.519 5.259 4.740 -0.000 0.000 0.286 541 N C -0.981 174.565 175.510 0.060 0.000 1.275 541 N CA -0.731 52.353 53.050 0.058 0.000 0.790 541 N CB 1.431 39.963 38.487 0.074 0.000 1.446 541 N HN 0.144 nan 8.380 nan 0.000 0.501 542 S N 0.408 116.143 115.700 0.058 0.000 2.588 542 S HA 0.444 4.914 4.470 -0.000 0.000 0.275 542 S C -1.586 173.042 174.600 0.047 0.000 1.130 542 S CA -0.624 57.608 58.200 0.054 0.000 0.855 542 S CB 1.755 64.980 63.200 0.042 0.000 1.116 542 S HN 0.387 nan 8.310 nan 0.000 0.472 543 L N 2.523 123.772 121.223 0.044 0.000 2.275 543 L HA 0.723 5.063 4.340 -0.000 0.000 0.288 543 L C -1.274 175.584 176.870 -0.019 0.000 1.046 543 L CA -0.187 54.669 54.840 0.027 0.000 0.805 543 L CB 0.903 42.992 42.059 0.051 0.000 1.193 543 L HN 0.508 nan 8.230 nan 0.000 0.426 544 V N 4.895 124.768 119.914 -0.068 0.000 2.588 544 V HA 0.794 4.914 4.120 -0.000 0.000 0.304 544 V C 0.048 175.995 176.094 -0.244 0.000 1.042 544 V CA -0.624 61.589 62.300 -0.145 0.000 0.877 544 V CB 1.503 33.252 31.823 -0.123 0.000 0.996 544 V HN 0.954 nan 8.190 nan 0.000 0.425 545 A N 6.064 128.625 122.820 -0.432 0.000 2.306 545 A HA 0.919 5.239 4.320 -0.000 0.000 0.314 545 A C -0.410 176.875 177.584 -0.498 0.000 1.164 545 A CA -0.471 51.240 52.037 -0.543 0.000 0.822 545 A CB 0.719 19.136 19.000 -0.972 0.000 1.130 545 A HN 0.834 nan 8.150 nan 0.000 0.496 546 M N 2.791 122.202 119.600 -0.314 0.000 2.067 546 M HA 0.244 4.724 4.480 -0.000 0.000 0.286 546 M C -1.661 174.572 176.300 -0.111 0.000 0.922 546 M CA -0.468 54.712 55.300 -0.200 0.000 0.937 546 M CB 1.844 34.323 32.600 -0.202 0.000 1.550 546 M HN 0.561 nan 8.290 nan 0.000 0.433 547 D N 5.221 125.602 120.400 -0.030 0.000 2.373 547 D HA 0.378 5.018 4.640 -0.000 0.000 0.227 547 D C -2.484 173.832 176.300 0.026 0.000 1.091 547 D CA -1.371 52.637 54.000 0.013 0.000 0.840 547 D CB 1.252 42.102 40.800 0.083 0.000 1.060 547 D HN 0.147 nan 8.370 nan 0.000 0.502 548 P HA 0.054 nan 4.420 nan 0.000 0.271 548 P C -0.379 176.935 177.300 0.024 0.000 1.220 548 P CA -0.310 62.806 63.100 0.026 0.000 0.768 548 P CB 0.866 32.582 31.700 0.026 0.000 0.848 549 V N 0.902 120.832 119.914 0.028 0.000 3.130 549 V HA 0.555 4.675 4.120 -0.000 0.000 0.310 549 V C -0.591 175.515 176.094 0.021 0.000 1.158 549 V CA -1.153 61.161 62.300 0.023 0.000 1.029 549 V CB 2.145 33.984 31.823 0.026 0.000 1.057 549 V HN 0.105 nan 8.190 nan 0.000 0.436 550 V N 3.041 122.965 119.914 0.016 0.000 2.364 550 V HA 0.500 4.620 4.120 -0.000 0.000 0.272 550 V C 0.206 176.307 176.094 0.012 0.000 1.036 550 V CA -0.350 61.958 62.300 0.014 0.000 0.880 550 V CB 0.725 32.554 31.823 0.010 0.000 0.991 550 V HN 0.912 nan 8.190 nan 0.000 0.460 551 K N 5.375 125.783 120.400 0.013 0.000 2.281 551 K HA 0.577 4.897 4.320 -0.000 0.000 0.242 551 K C -2.851 173.754 176.600 0.009 0.000 0.971 551 K CA -2.157 54.137 56.287 0.011 0.000 0.834 551 K CB 2.132 34.640 32.500 0.014 0.000 1.181 551 K HN 0.236 nan 8.250 nan 0.000 0.435 552 P HA 0.014 nan 4.420 nan 0.000 0.271 552 P C -0.518 176.786 177.300 0.007 0.000 1.216 552 P CA -0.264 62.840 63.100 0.006 0.000 0.776 552 P CB 0.315 32.018 31.700 0.005 0.000 0.881 553 N N 1.640 120.344 118.700 0.006 0.000 2.497 553 N HA 0.043 4.783 4.740 -0.000 0.000 0.268 553 N C 0.689 176.202 175.510 0.006 0.000 1.171 553 N CA 0.370 53.424 53.050 0.007 0.000 0.948 553 N CB 0.144 38.635 38.487 0.006 0.000 1.069 553 N HN 0.389 nan 8.380 nan 0.000 0.460 554 T N -0.205 114.352 114.554 0.006 0.000 3.010 554 T HA 0.317 4.667 4.350 -0.000 0.000 0.257 554 T C 1.058 175.761 174.700 0.005 0.000 1.020 554 T CA 0.220 62.324 62.100 0.005 0.000 0.938 554 T CB 0.083 68.954 68.868 0.006 0.000 1.049 554 T HN 0.390 nan 8.240 nan 0.000 0.522 555 A N 0.930 123.753 122.820 0.005 0.000 2.308 555 A HA 0.734 5.054 4.320 -0.000 0.000 0.217 555 A C 1.364 178.950 177.584 0.004 0.000 1.216 555 A CA 0.244 52.283 52.037 0.005 0.000 0.864 555 A CB -0.757 18.246 19.000 0.005 0.000 0.902 555 A HN 1.386 nan 8.150 nan 0.000 0.499 556 G N -2.271 106.531 108.800 0.004 0.000 2.655 556 G HA2 0.491 4.451 3.960 -0.000 0.000 0.680 556 G HA3 0.491 4.451 3.960 -0.000 0.000 0.680 556 G C 0.659 175.561 174.900 0.003 0.000 1.302 556 G CA -0.140 44.962 45.100 0.003 0.000 0.872 556 G HN 2.462 nan 8.290 nan 0.000 0.540 557 G N -1.305 107.497 108.800 0.003 0.000 2.728 557 G HA2 0.282 4.242 3.960 -0.000 0.000 0.294 557 G HA3 0.282 4.242 3.960 -0.000 0.000 0.294 557 G C -0.956 173.946 174.900 0.003 0.000 1.342 557 G CA 0.590 45.691 45.100 0.003 0.000 0.866 557 G HN 1.379 nan 8.290 nan 0.000 0.534 558 P HA 0.140 nan 4.420 nan 0.000 0.231 558 P C 0.874 178.176 177.300 0.003 0.000 1.168 558 P CA 0.333 63.435 63.100 0.003 0.000 0.779 558 P CB 0.168 31.870 31.700 0.003 0.000 0.844 559 R N 0.458 120.960 120.500 0.004 0.000 2.489 559 R HA 0.073 4.413 4.340 -0.000 0.000 0.287 559 R C 1.401 177.703 176.300 0.005 0.000 1.053 559 R CA 0.709 56.812 56.100 0.005 0.000 1.036 559 R CB 0.049 30.352 30.300 0.005 0.000 0.966 559 R HN 0.191 nan 8.270 nan 0.000 0.432 560 T N -2.034 112.522 114.554 0.005 0.000 3.067 560 T HA -0.000 4.350 4.350 -0.000 0.000 0.257 560 T C 0.892 175.595 174.700 0.005 0.000 1.105 560 T CA 0.442 62.545 62.100 0.004 0.000 1.104 560 T CB 0.177 69.047 68.868 0.004 0.000 0.925 560 T HN 0.518 nan 8.240 nan 0.000 0.498 561 S N 0.634 116.337 115.700 0.006 0.000 2.661 561 S HA 0.743 5.213 4.470 -0.000 0.000 0.285 561 S C -0.523 174.083 174.600 0.009 0.000 1.138 561 S CA -0.330 57.874 58.200 0.007 0.000 0.855 561 S CB 2.050 65.255 63.200 0.007 0.000 1.136 561 S HN 0.705 nan 8.310 nan 0.000 0.484 562 T N -1.526 113.035 114.554 0.010 0.000 2.841 562 T HA 0.664 5.014 4.350 -0.000 0.000 0.296 562 T C -0.809 173.900 174.700 0.015 0.000 1.166 562 T CA -0.983 61.125 62.100 0.012 0.000 1.007 562 T CB 1.241 70.117 68.868 0.013 0.000 1.253 562 T HN 0.672 nan 8.240 nan 0.000 0.511 563 M N 2.034 121.645 119.600 0.018 0.000 2.066 563 M HA 0.411 4.891 4.480 -0.000 0.000 0.340 563 M C -0.226 176.090 176.300 0.027 0.000 1.053 563 M CA -0.468 54.846 55.300 0.022 0.000 0.983 563 M CB 1.387 34.001 32.600 0.023 0.000 1.520 563 M HN 0.624 nan 8.290 nan 0.000 0.428 564 Q N 1.390 121.207 119.800 0.029 0.000 2.814 564 Q HA 0.796 5.136 4.340 -0.000 0.000 0.283 564 Q C -1.253 174.771 176.000 0.040 0.000 1.071 564 Q CA -1.095 54.728 55.803 0.034 0.000 0.849 564 Q CB 3.193 31.949 28.738 0.030 0.000 1.437 564 Q HN 0.450 nan 8.270 nan 0.000 0.492 565 V N 1.438 121.380 119.914 0.046 0.000 2.588 565 V HA 0.276 4.396 4.120 -0.000 0.000 0.304 565 V C -1.168 174.963 176.094 0.061 0.000 1.042 565 V CA -0.827 61.503 62.300 0.050 0.000 0.877 565 V CB 1.847 33.702 31.823 0.053 0.000 0.996 565 V HN 0.625 nan 8.190 nan 0.000 0.425 566 N N 3.572 122.320 118.700 0.080 0.000 2.406 566 N HA 0.326 5.066 4.740 -0.000 0.000 0.251 566 N C -0.454 175.153 175.510 0.162 0.000 1.069 566 N CA -0.005 53.131 53.050 0.143 0.000 0.947 566 N CB 0.884 39.490 38.487 0.199 0.000 1.111 566 N HN 0.755 nan 8.380 nan 0.000 0.497 567 Q N 2.982 122.868 119.800 0.144 0.000 2.282 567 Q HA 0.485 4.825 4.340 -0.000 0.000 0.260 567 Q C -1.537 174.578 176.000 0.191 0.000 0.964 567 Q CA -0.778 55.059 55.803 0.055 0.000 0.880 567 Q CB 0.866 29.615 28.738 0.019 0.000 1.286 567 Q HN 0.628 nan 8.270 nan 0.000 0.445 568 Y N -0.053 120.244 120.300 -0.004 0.000 2.604 568 Y HA 0.471 5.021 4.550 -0.000 0.000 0.331 568 Y C -1.583 174.318 175.900 0.003 0.000 1.158 568 Y CA -1.545 56.556 58.100 0.002 0.000 1.056 568 Y CB 0.493 38.955 38.460 0.002 0.000 1.330 568 Y HN 0.532 nan 8.280 nan 0.000 0.457 569 N N 1.489 120.265 118.700 0.127 0.000 2.530 569 N HA 0.477 5.217 4.740 -0.000 0.000 0.277 569 N C -1.042 174.545 175.510 0.129 0.000 1.168 569 N CA -0.341 52.748 53.050 0.065 0.000 0.979 569 N CB 0.997 39.522 38.487 0.063 0.000 1.141 569 N HN 0.697 nan 8.380 nan 0.000 0.459 570 I N 0.919 121.534 120.570 0.075 0.000 2.330 570 I HA 0.245 4.415 4.170 -0.000 0.000 0.286 570 I C 1.333 177.500 176.117 0.083 0.000 1.025 570 I CA -0.393 60.968 61.300 0.103 0.000 1.197 570 I CB 1.263 39.310 38.000 0.079 0.000 1.358 570 I HN 0.709 nan 8.210 nan 0.000 0.467 571 G N 5.369 114.219 108.800 0.084 0.000 2.464 571 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.217 571 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.217 571 G C 0.387 175.329 174.900 0.070 0.000 1.138 571 G CA 0.330 45.473 45.100 0.071 0.000 0.793 571 G HN 0.670 nan 8.290 nan 0.000 0.539 572 N N -1.827 116.916 118.700 0.072 0.000 2.525 572 N HA 0.249 4.989 4.740 -0.000 0.000 0.270 572 N C 0.254 175.814 175.510 0.082 0.000 1.321 572 N CA -0.800 52.294 53.050 0.073 0.000 0.797 572 N CB 0.934 39.457 38.487 0.060 0.000 1.529 572 N HN -0.043 nan 8.380 nan 0.000 0.491 573 E N -0.585 119.671 120.200 0.094 0.000 2.160 573 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 573 E C 0.854 177.509 176.600 0.092 0.000 0.991 573 E CA 1.244 57.716 56.400 0.120 0.000 0.810 573 E CB -0.015 29.769 29.700 0.140 0.000 0.742 573 E HN 0.549 nan 8.360 nan 0.000 0.466 574 Q N 0.455 120.292 119.800 0.061 0.000 2.137 574 Q HA -0.113 4.227 4.340 -0.000 0.000 0.198 574 Q C 1.439 177.434 176.000 -0.009 0.000 0.960 574 Q CA 0.886 56.704 55.803 0.026 0.000 0.847 574 Q CB 0.033 28.787 28.738 0.028 0.000 0.915 574 Q HN 0.300 nan 8.270 nan 0.000 0.448 575 D N 1.088 121.498 120.400 0.016 0.000 2.183 575 D HA -0.049 4.591 4.640 -0.000 0.000 0.203 575 D C 1.716 178.022 176.300 0.009 0.000 0.969 575 D CA 1.079 55.089 54.000 0.016 0.000 0.842 575 D CB -0.059 40.770 40.800 0.048 0.000 0.957 575 D HN 0.202 nan 8.370 nan 0.000 0.484 576 A N 0.882 123.718 122.820 0.027 0.000 2.015 576 A HA 0.113 4.433 4.320 -0.000 0.000 0.219 576 A C 1.572 179.118 177.584 -0.064 0.000 1.163 576 A CA 0.972 53.029 52.037 0.034 0.000 0.646 576 A CB -0.374 18.688 19.000 0.103 0.000 0.806 576 A HN 0.178 nan 8.150 nan 0.000 0.448 577 A N 1.015 123.729 122.820 -0.177 0.000 2.785 577 A HA 0.464 4.784 4.320 -0.000 0.000 0.294 577 A C 0.255 177.537 177.584 -0.504 0.000 1.597 577 A CA 0.023 51.713 52.037 -0.578 0.000 1.283 577 A CB -0.795 17.810 19.000 -0.658 0.000 1.088 577 A HN 0.688 nan 8.150 nan 0.000 0.568 578 Q N 1.548 121.102 119.800 -0.409 0.000 2.456 578 Q HA 0.479 4.819 4.340 -0.000 0.000 0.284 578 Q C -1.122 174.813 176.000 -0.108 0.000 1.061 578 Q CA -1.232 54.455 55.803 -0.194 0.000 0.799 578 Q CB 1.237 29.937 28.738 -0.064 0.000 1.445 578 Q HN 0.297 nan 8.270 nan 0.000 0.411 579 K N 1.157 121.534 120.400 -0.038 0.000 2.414 579 K HA 0.140 4.460 4.320 -0.000 0.000 0.272 579 K C -0.750 175.929 176.600 0.130 0.000 0.993 579 K CA 0.070 56.381 56.287 0.040 0.000 0.964 579 K CB 0.242 32.752 32.500 0.016 0.000 0.925 579 K HN 0.552 nan 8.250 nan 0.000 0.487 580 F N 2.381 122.344 119.950 0.021 0.000 2.415 580 F HA 0.113 4.640 4.527 -0.000 0.000 0.348 580 F C -0.002 175.829 175.800 0.053 0.000 1.119 580 F CA -1.198 56.831 58.000 0.048 0.000 1.069 580 F CB 0.909 39.966 39.000 0.095 0.000 1.124 580 F HN 0.369 nan 8.300 nan 0.000 0.472 581 D N 8.661 128.642 120.400 -0.698 0.000 2.373 581 D HA 0.315 4.955 4.640 -0.000 0.000 0.227 581 D C -1.980 173.709 176.300 -1.019 0.000 1.091 581 D CA -2.621 51.019 54.000 -0.602 0.000 0.840 581 D CB 1.898 42.515 40.800 -0.305 0.000 1.060 581 D HN 0.247 nan 8.370 nan 0.000 0.502 582 P HA 0.014 nan 4.420 nan 0.000 0.228 582 P C 1.188 178.389 177.300 -0.165 0.000 1.151 582 P CA 0.470 63.393 63.100 -0.296 0.000 0.770 582 P CB 0.242 32.045 31.700 0.172 0.000 0.786 583 G N -0.561 108.124 108.800 -0.191 0.000 2.650 583 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.214 583 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.214 583 G C 0.669 175.505 174.900 -0.108 0.000 1.136 583 G CA 0.660 45.700 45.100 -0.101 0.000 0.789 583 G HN 0.428 nan 8.290 nan 0.000 0.536 584 T N -1.741 112.690 114.554 -0.205 0.000 2.937 584 T HA 0.720 5.070 4.350 -0.000 0.000 0.283 584 T C -0.386 174.272 174.700 -0.069 0.000 1.012 584 T CA -0.864 61.156 62.100 -0.134 0.000 0.997 584 T CB 2.194 70.973 68.868 -0.147 0.000 1.136 584 T HN -0.064 nan 8.240 nan 0.000 0.551 585 I N 0.850 121.381 120.570 -0.064 0.000 2.530 585 I HA 0.592 4.762 4.170 -0.000 0.000 0.297 585 I C -0.147 175.910 176.117 -0.100 0.000 1.011 585 I CA -1.159 60.087 61.300 -0.090 0.000 1.107 585 I CB 1.868 39.694 38.000 -0.291 0.000 1.285 585 I HN 0.399 nan 8.210 nan 0.000 0.436 586 R N 6.341 126.809 120.500 -0.053 0.000 2.532 586 R HA 0.682 5.022 4.340 -0.000 0.000 0.297 586 R C -1.494 174.736 176.300 -0.118 0.000 0.984 586 R CA -0.751 55.315 56.100 -0.056 0.000 0.884 586 R CB 1.937 32.286 30.300 0.081 0.000 1.182 586 R HN 0.550 nan 8.270 nan 0.000 0.442 587 L N 2.933 124.067 121.223 -0.150 0.000 2.362 587 L HA 0.514 4.854 4.340 -0.000 0.000 0.271 587 L C -0.481 176.375 176.870 -0.023 0.000 1.002 587 L CA -1.302 53.466 54.840 -0.119 0.000 0.818 587 L CB 1.948 43.872 42.059 -0.225 0.000 1.298 587 L HN 0.197 nan 8.230 nan 0.000 0.420 588 L N 2.257 123.509 121.223 0.048 0.000 2.268 588 L HA 0.404 4.744 4.340 -0.000 0.000 0.289 588 L C -0.102 176.832 176.870 0.106 0.000 1.064 588 L CA 0.558 55.447 54.840 0.081 0.000 0.824 588 L CB 0.811 42.933 42.059 0.105 0.000 1.202 588 L HN 0.559 nan 8.230 nan 0.000 0.433 589 S N 3.545 119.290 115.700 0.076 0.000 2.593 589 S HA 0.438 4.908 4.470 -0.000 0.000 0.297 589 S C -0.225 174.426 174.600 0.084 0.000 1.112 589 S CA -0.678 57.575 58.200 0.087 0.000 1.043 589 S CB 1.250 64.479 63.200 0.048 0.000 1.054 589 S HN 0.603 nan 8.310 nan 0.000 0.516 590 N N 2.869 121.620 118.700 0.086 0.000 2.699 590 N HA 0.269 5.009 4.740 -0.000 0.000 0.232 590 N C -2.099 173.428 175.510 0.027 0.000 1.027 590 N CA -2.174 50.908 53.050 0.053 0.000 0.920 590 N CB 1.037 39.554 38.487 0.050 0.000 1.148 590 N HN 0.229 nan 8.380 nan 0.000 0.509 591 P HA 0.018 nan 4.420 nan 0.000 0.244 591 P C -0.036 177.266 177.300 0.005 0.000 1.211 591 P CA 0.599 63.709 63.100 0.017 0.000 0.760 591 P CB 0.391 32.104 31.700 0.021 0.000 0.961 592 N N -0.217 118.481 118.700 -0.004 0.000 2.250 592 N HA 0.085 4.825 4.740 -0.000 0.000 0.190 592 N C 0.381 175.872 175.510 -0.031 0.000 1.116 592 N CA 0.298 53.338 53.050 -0.015 0.000 0.881 592 N CB 0.800 39.276 38.487 -0.018 0.000 1.006 592 N HN 0.319 nan 8.380 nan 0.000 0.491 593 K N 1.030 121.406 120.400 -0.040 0.000 2.426 593 K HA 0.455 4.775 4.320 -0.000 0.000 0.251 593 K C -0.766 175.791 176.600 -0.073 0.000 0.941 593 K CA -0.526 55.719 56.287 -0.070 0.000 0.808 593 K CB 2.536 34.972 32.500 -0.107 0.000 1.265 593 K HN -0.030 nan 8.250 nan 0.000 0.432 594 E N 1.410 121.558 120.200 -0.087 0.000 2.383 594 E HA 0.161 4.511 4.350 -0.000 0.000 0.275 594 E C -0.912 175.626 176.600 -0.104 0.000 0.918 594 E CA -1.168 55.188 56.400 -0.075 0.000 0.764 594 E CB 1.615 31.290 29.700 -0.042 0.000 1.252 594 E HN 0.620 nan 8.360 nan 0.000 0.449 595 N N 0.963 119.604 118.700 -0.099 0.000 2.347 595 N HA 0.036 4.776 4.740 -0.000 0.000 0.253 595 N C 0.666 176.136 175.510 -0.066 0.000 1.274 595 N CA -0.356 52.632 53.050 -0.103 0.000 0.941 595 N CB 0.731 39.163 38.487 -0.092 0.000 1.200 595 N HN 0.528 nan 8.380 nan 0.000 0.514 596 R N -1.251 119.215 120.500 -0.056 0.000 2.276 596 R HA -0.097 4.243 4.340 -0.000 0.000 0.243 596 R C 0.553 176.832 176.300 -0.034 0.000 1.161 596 R CA 1.505 57.581 56.100 -0.041 0.000 1.007 596 R CB -0.151 30.129 30.300 -0.034 0.000 0.867 596 R HN 0.501 nan 8.270 nan 0.000 0.472 597 M N -1.637 117.942 119.600 -0.034 0.000 2.371 597 M HA 0.249 4.729 4.480 -0.000 0.000 0.246 597 M C 0.797 177.087 176.300 -0.017 0.000 1.103 597 M CA 0.430 55.715 55.300 -0.026 0.000 1.010 597 M CB 1.408 33.991 32.600 -0.029 0.000 1.457 597 M HN 0.242 nan 8.290 nan 0.000 0.486 598 G N 0.621 109.409 108.800 -0.020 0.000 2.136 598 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.242 598 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.242 598 G C -0.015 174.886 174.900 0.000 0.000 0.989 598 G CA -0.199 44.894 45.100 -0.012 0.000 0.682 598 G HN 0.435 nan 8.290 nan 0.000 0.522 599 N N 1.192 119.895 118.700 0.004 0.000 2.479 599 N HA 0.442 5.182 4.740 -0.000 0.000 0.285 599 N C -2.682 172.845 175.510 0.027 0.000 1.075 599 N CA -1.380 51.690 53.050 0.033 0.000 0.967 599 N CB 1.471 39.991 38.487 0.056 0.000 1.137 599 N HN 0.005 nan 8.380 nan 0.000 0.472 600 P HA -0.059 nan 4.420 nan 0.000 0.265 600 P C 0.010 177.344 177.300 0.057 0.000 1.193 600 P CA -0.246 62.876 63.100 0.036 0.000 0.765 600 P CB 0.412 32.143 31.700 0.052 0.000 0.823 601 V N 1.674 121.588 119.914 -0.001 0.000 2.585 601 V HA 0.412 4.532 4.120 -0.000 0.000 0.296 601 V C -0.062 176.152 176.094 0.201 0.000 1.035 601 V CA 0.419 62.722 62.300 0.004 0.000 1.084 601 V CB -0.052 31.604 31.823 -0.279 0.000 0.953 601 V HN 0.517 nan 8.190 nan 0.000 0.483 602 S N 3.154 119.056 115.700 0.337 0.000 2.671 602 S HA 0.733 5.203 4.470 -0.000 0.000 0.277 602 S C -1.441 173.357 174.600 0.329 0.000 1.165 602 S CA -0.545 57.855 58.200 0.333 0.000 0.822 602 S CB 1.637 64.978 63.200 0.234 0.000 1.150 602 S HN 0.758 nan 8.310 nan 0.000 0.479 603 Y N 1.479 121.866 120.300 0.145 0.000 2.376 603 Y HA 0.433 4.983 4.550 0.000 0.000 0.340 603 Y C 0.104 176.042 175.900 0.064 0.000 0.965 603 Y CA -0.445 57.709 58.100 0.090 0.000 1.078 603 Y CB 1.712 40.174 38.460 0.003 0.000 1.193 603 Y HN 0.645 nan 8.280 nan 0.000 0.452 604 Q N 4.005 123.890 119.800 0.142 0.000 2.304 604 Q HA 0.459 4.799 4.340 -0.000 0.000 0.260 604 Q C -1.307 174.741 176.000 0.079 0.000 0.965 604 Q CA -0.217 55.623 55.803 0.061 0.000 0.898 604 Q CB 0.621 29.438 28.738 0.132 0.000 1.196 604 Q HN 0.676 nan 8.270 nan 0.000 0.402 605 I N 5.471 126.050 120.570 0.015 0.000 2.339 605 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 605 I C -0.485 175.529 176.117 -0.172 0.000 0.994 605 I CA -0.378 60.900 61.300 -0.037 0.000 1.191 605 I CB 1.330 39.312 38.000 -0.030 0.000 1.343 605 I HN 0.578 nan 8.210 nan 0.000 0.458 606 I N 8.644 129.090 120.570 -0.206 0.000 2.595 606 I HA 0.249 4.419 4.170 -0.000 0.000 0.275 606 I C -1.797 174.114 176.117 -0.342 0.000 1.092 606 I CA -1.408 59.697 61.300 -0.326 0.000 1.145 606 I CB 1.326 39.289 38.000 -0.061 0.000 1.276 606 I HN 0.365 nan 8.210 nan 0.000 0.497 607 P HA -0.171 nan 4.420 nan 0.000 0.220 607 P C -0.224 177.119 177.300 0.072 0.000 1.148 607 P CA 1.267 64.245 63.100 -0.204 0.000 0.803 607 P CB 0.014 31.573 31.700 -0.236 0.000 0.782 608 Y N -0.385 119.901 120.300 -0.022 0.000 2.526 608 Y HA 0.622 5.172 4.550 -0.000 0.000 0.328 608 Y C 0.163 176.186 175.900 0.206 0.000 0.995 608 Y CA -1.401 56.808 58.100 0.182 0.000 1.304 608 Y CB 0.545 39.188 38.460 0.305 0.000 1.096 608 Y HN -0.169 nan 8.280 nan 0.000 0.499 609 A N 3.692 126.361 122.820 -0.251 0.000 2.460 609 A HA 0.722 5.042 4.320 -0.000 0.000 0.258 609 A C 0.794 178.153 177.584 -0.376 0.000 1.300 609 A CA 0.383 52.258 52.037 -0.271 0.000 0.913 609 A CB -0.664 18.273 19.000 -0.105 0.000 1.031 609 A HN 1.420 nan 8.150 nan 0.000 0.512 610 G N -2.515 105.821 108.800 -0.774 0.000 2.347 610 G HA2 0.536 4.496 3.960 -0.000 0.000 0.477 610 G HA3 0.536 4.496 3.960 -0.000 0.000 0.477 610 G C -0.397 174.526 174.900 0.039 0.000 1.349 610 G CA -0.109 44.780 45.100 -0.351 0.000 1.000 610 G HN 1.691 nan 8.290 nan 0.000 0.605 611 G N -2.073 106.848 108.800 0.203 0.000 2.579 611 G HA2 0.712 4.672 3.960 -0.000 0.000 0.292 611 G HA3 0.712 4.672 3.960 -0.000 0.000 0.292 611 G C 0.448 175.449 174.900 0.168 0.000 1.484 611 G CA 0.954 46.159 45.100 0.175 0.000 0.813 611 G HN 1.874 nan 8.290 nan 0.000 0.515 612 T N -2.524 112.090 114.554 0.100 0.000 3.060 612 T HA 0.278 4.628 4.350 -0.000 0.000 0.249 612 T C 0.585 175.328 174.700 0.073 0.000 1.079 612 T CA 0.489 62.631 62.100 0.070 0.000 1.013 612 T CB 0.062 68.940 68.868 0.017 0.000 0.975 612 T HN 0.421 nan 8.240 nan 0.000 0.518 613 H N 1.707 120.793 119.070 0.028 0.000 2.595 613 H HA 0.586 5.142 4.556 -0.000 0.000 0.346 613 H C -2.518 172.834 175.328 0.040 0.000 1.181 613 H CA -2.516 53.526 56.048 -0.009 0.000 1.242 613 H CB 1.232 30.949 29.762 -0.075 0.000 1.652 613 H HN 0.039 nan 8.280 nan 0.000 0.548 614 P HA 0.009 nan 4.420 nan 0.000 0.268 614 P C -0.544 176.788 177.300 0.054 0.000 1.208 614 P CA -0.105 63.031 63.100 0.059 0.000 0.777 614 P CB 0.578 32.271 31.700 -0.011 0.000 0.875 615 V N 1.818 121.745 119.914 0.022 0.000 2.481 615 V HA 0.475 4.595 4.120 -0.000 0.000 0.286 615 V C 0.523 176.583 176.094 -0.056 0.000 1.042 615 V CA -0.679 61.602 62.300 -0.032 0.000 0.928 615 V CB 1.097 32.788 31.823 -0.220 0.000 0.986 615 V HN 0.667 nan 8.190 nan 0.000 0.462 616 A N 4.293 127.094 122.820 -0.032 0.000 2.309 616 A HA 0.381 4.701 4.320 -0.000 0.000 0.290 616 A C 1.022 178.586 177.584 -0.034 0.000 1.206 616 A CA -0.362 51.659 52.037 -0.026 0.000 0.850 616 A CB 0.193 19.193 19.000 -0.001 0.000 1.118 616 A HN 0.960 nan 8.150 nan 0.000 0.523 617 K N 2.649 123.029 120.400 -0.033 0.000 2.393 617 K HA 0.307 4.627 4.320 -0.000 0.000 0.193 617 K C 0.491 177.104 176.600 0.022 0.000 1.026 617 K CA 0.964 57.237 56.287 -0.023 0.000 1.064 617 K CB 0.158 32.637 32.500 -0.035 0.000 0.833 617 K HN 0.855 nan 8.250 nan 0.000 0.521 618 G N 0.096 108.917 108.800 0.035 0.000 2.488 618 G HA2 0.479 4.439 3.960 -0.000 0.000 0.301 618 G HA3 0.479 4.439 3.960 -0.000 0.000 0.301 618 G C -1.707 173.242 174.900 0.082 0.000 1.339 618 G CA -0.556 44.584 45.100 0.067 0.000 0.803 618 G HN 0.198 nan 8.290 nan 0.000 0.482 619 A N -0.066 122.833 122.820 0.132 0.000 2.477 619 A HA 0.524 4.844 4.320 -0.000 0.000 0.246 619 A C 0.395 178.130 177.584 0.253 0.000 1.078 619 A CA -0.018 52.154 52.037 0.225 0.000 0.770 619 A CB 0.325 19.479 19.000 0.257 0.000 1.011 619 A HN 0.390 nan 8.150 nan 0.000 0.494 620 Q N 1.836 121.706 119.800 0.117 0.000 3.247 620 Q HA 0.318 4.658 4.340 -0.000 0.000 0.326 620 Q C -1.551 174.187 176.000 -0.437 0.000 1.402 620 Q CA 0.623 56.342 55.803 -0.141 0.000 0.994 620 Q CB -0.732 27.853 28.738 -0.255 0.000 1.647 620 Q HN 0.549 nan 8.270 nan 0.000 0.523 621 F N -0.486 119.525 119.950 0.103 0.000 2.581 621 F HA 0.484 5.011 4.527 -0.000 0.000 0.311 621 F C 0.171 175.955 175.800 -0.027 0.000 1.113 621 F CA -1.336 56.720 58.000 0.093 0.000 0.935 621 F CB 1.179 40.300 39.000 0.202 0.000 1.232 621 F HN 0.094 nan 8.300 nan 0.000 0.445 622 A N 4.114 126.980 122.820 0.077 0.000 2.540 622 A HA 0.250 4.570 4.320 -0.000 0.000 0.239 622 A C -1.573 175.843 177.584 -0.280 0.000 1.061 622 A CA -0.836 51.152 52.037 -0.081 0.000 0.758 622 A CB -0.296 18.682 19.000 -0.035 0.000 0.991 622 A HN 0.573 nan 8.150 nan 0.000 0.502 623 P HA -0.141 nan 4.420 nan 0.000 0.229 623 P C 0.225 177.277 177.300 -0.415 0.000 1.150 623 P CA 1.504 64.060 63.100 -0.907 0.000 0.765 623 P CB -0.003 31.360 31.700 -0.562 0.000 0.783 624 D N -1.987 118.267 120.400 -0.244 0.000 2.363 624 D HA 0.005 4.645 4.640 -0.000 0.000 0.214 624 D C 0.278 176.474 176.300 -0.173 0.000 1.093 624 D CA -0.051 53.827 54.000 -0.204 0.000 0.837 624 D CB -0.333 40.371 40.800 -0.161 0.000 0.948 624 D HN 0.057 nan 8.370 nan 0.000 0.507 625 E N 0.152 120.325 120.200 -0.045 0.000 2.338 625 E HA 0.005 4.355 4.350 -0.000 0.000 0.272 625 E C 0.262 176.867 176.600 0.008 0.000 1.029 625 E CA -0.364 56.079 56.400 0.072 0.000 0.872 625 E CB 0.830 30.684 29.700 0.258 0.000 1.015 625 E HN 0.257 nan 8.360 nan 0.000 0.417 626 W N 2.315 123.606 121.300 -0.014 0.000 2.321 626 W HA -0.191 4.469 4.660 -0.000 0.000 0.306 626 W C 2.169 178.636 176.519 -0.087 0.000 1.217 626 W CA 0.437 57.735 57.345 -0.078 0.000 1.257 626 W CB -0.221 29.064 29.460 -0.292 0.000 1.145 626 W HN 0.603 nan 8.180 nan 0.000 0.509 627 I N -0.786 119.789 120.570 0.009 0.000 2.361 627 I HA -0.358 3.812 4.170 -0.000 0.000 0.251 627 I C 2.365 178.374 176.117 -0.180 0.000 1.133 627 I CA 1.361 62.566 61.300 -0.157 0.000 1.413 627 I CB -0.307 37.470 38.000 -0.372 0.000 1.073 627 I HN 0.054 nan 8.210 nan 0.000 0.424 628 Y N 0.438 120.585 120.300 -0.254 0.000 2.242 628 Y HA -0.334 4.216 4.550 -0.000 0.000 0.291 628 Y C 2.521 178.383 175.900 -0.063 0.000 1.137 628 Y CA 2.303 60.306 58.100 -0.162 0.000 1.181 628 Y CB -0.526 37.910 38.460 -0.041 0.000 0.989 628 Y HN 0.332 nan 8.280 nan 0.000 0.527 629 H N -0.251 118.891 119.070 0.121 0.000 2.363 629 H HA -0.002 4.554 4.556 -0.000 0.000 0.301 629 H C 2.237 177.580 175.328 0.025 0.000 1.074 629 H CA 1.840 57.923 56.048 0.058 0.000 1.354 629 H CB 0.019 29.725 29.762 -0.092 0.000 1.397 629 H HN 0.204 nan 8.280 nan 0.000 0.516 630 R N -0.328 120.243 120.500 0.118 0.000 2.115 630 R HA 0.058 4.398 4.340 -0.000 0.000 0.230 630 R C 0.203 176.447 176.300 -0.094 0.000 1.111 630 R CA 1.028 57.147 56.100 0.032 0.000 0.976 630 R CB 0.251 30.600 30.300 0.082 0.000 0.870 630 R HN 0.280 nan 8.270 nan 0.000 0.445 631 L N 0.626 121.752 121.223 -0.162 0.000 2.637 631 L HA 0.265 4.605 4.340 -0.000 0.000 0.241 631 L C 0.555 177.192 176.870 -0.388 0.000 1.398 631 L CA -0.313 54.399 54.840 -0.214 0.000 0.895 631 L CB 1.669 43.564 42.059 -0.272 0.000 1.183 631 L HN 0.003 nan 8.230 nan 0.000 0.497 632 S N 0.744 116.276 115.700 -0.280 0.000 2.423 632 S HA -0.235 4.235 4.470 -0.000 0.000 0.238 632 S C 1.707 176.244 174.600 -0.104 0.000 1.028 632 S CA 1.813 59.877 58.200 -0.227 0.000 1.000 632 S CB -0.315 62.871 63.200 -0.023 0.000 0.797 632 S HN 0.733 nan 8.310 nan 0.000 0.487 633 F N 1.077 120.909 119.950 -0.197 0.000 2.365 633 F HA 0.118 4.645 4.527 -0.000 0.000 0.300 633 F C 1.807 177.665 175.800 0.097 0.000 1.090 633 F CA 0.485 58.400 58.000 -0.142 0.000 1.408 633 F CB -0.947 37.800 39.000 -0.423 0.000 1.060 633 F HN 0.072 nan 8.300 nan 0.000 0.534 634 M N 0.416 119.540 119.600 -0.793 0.000 2.358 634 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 634 M C 0.720 176.945 176.300 -0.125 0.000 1.064 634 M CA 1.770 56.766 55.300 -0.506 0.000 1.093 634 M CB -0.503 31.754 32.600 -0.572 0.000 1.401 634 M HN 0.187 nan 8.290 nan 0.000 0.440 635 D N 0.195 120.556 120.400 -0.065 0.000 2.440 635 D HA 0.108 4.748 4.640 -0.000 0.000 0.216 635 D C -0.456 175.883 176.300 0.065 0.000 1.150 635 D CA 0.190 54.190 54.000 0.001 0.000 0.832 635 D CB 0.598 41.346 40.800 -0.087 0.000 0.992 635 D HN -0.105 nan 8.370 nan 0.000 0.502 636 K N 0.145 120.635 120.400 0.150 0.000 2.464 636 K HA 0.306 4.626 4.320 -0.000 0.000 0.253 636 K C 0.004 176.720 176.600 0.193 0.000 0.933 636 K CA -0.496 55.801 56.287 0.018 0.000 0.801 636 K CB 1.761 33.993 32.500 -0.446 0.000 1.271 636 K HN -0.195 nan 8.250 nan 0.000 0.430 637 Q N 0.208 120.093 119.800 0.141 0.000 2.376 637 Q HA 0.171 4.511 4.340 -0.000 0.000 0.206 637 Q C -0.088 176.067 176.000 0.258 0.000 0.921 637 Q CA 0.300 56.251 55.803 0.247 0.000 0.911 637 Q CB 0.346 29.239 28.738 0.259 0.000 1.032 637 Q HN 0.371 nan 8.270 nan 0.000 0.510 638 L N -0.291 121.011 121.223 0.132 0.000 2.386 638 L HA 0.625 4.964 4.340 -0.000 0.000 0.271 638 L C -2.023 174.873 176.870 0.043 0.000 0.993 638 L CA -0.515 54.426 54.840 0.169 0.000 0.819 638 L CB 1.216 43.343 42.059 0.113 0.000 1.294 638 L HN -0.008 nan 8.230 nan 0.000 0.414 639 W N 3.887 125.320 121.300 0.221 0.000 3.033 639 W HA 0.793 5.453 4.660 -0.000 0.000 0.336 639 W C -1.293 175.417 176.519 0.319 0.000 1.173 639 W CA -0.798 56.677 57.345 0.217 0.000 1.185 639 W CB 2.164 31.709 29.460 0.142 0.000 1.425 639 W HN 0.303 nan 8.180 nan 0.000 0.536 640 V N 2.110 122.322 119.914 0.497 0.000 2.668 640 V HA 0.738 4.858 4.120 -0.000 0.000 0.304 640 V C -0.289 176.031 176.094 0.377 0.000 1.071 640 V CA -0.867 61.691 62.300 0.430 0.000 0.894 640 V CB 1.486 33.471 31.823 0.268 0.000 1.008 640 V HN 0.599 nan 8.190 nan 0.000 0.425 641 T N 1.409 116.214 114.554 0.418 0.000 2.907 641 T HA 0.688 5.038 4.350 -0.000 0.000 0.290 641 T C -0.369 174.491 174.700 0.267 0.000 1.066 641 T CA -1.055 61.237 62.100 0.320 0.000 1.012 641 T CB 1.814 70.888 68.868 0.343 0.000 1.184 641 T HN 0.494 nan 8.240 nan 0.000 0.522 642 R N 0.409 121.025 120.500 0.194 0.000 2.491 642 R HA 0.209 4.549 4.340 -0.000 0.000 0.283 642 R C -0.498 175.914 176.300 0.187 0.000 1.072 642 R CA -0.605 55.604 56.100 0.181 0.000 1.048 642 R CB 0.160 30.544 30.300 0.140 0.000 0.983 642 R HN 0.690 nan 8.270 nan 0.000 0.450 643 Y N 4.113 124.476 120.300 0.106 0.000 2.865 643 Y HA -0.178 4.372 4.550 -0.000 0.000 0.338 643 Y C -0.459 175.492 175.900 0.086 0.000 1.269 643 Y CA 1.017 59.160 58.100 0.072 0.000 1.585 643 Y CB -0.084 38.391 38.460 0.024 0.000 1.224 643 Y HN 0.417 nan 8.280 nan 0.000 0.554 644 H N 8.904 127.480 119.070 -0.823 0.000 2.877 644 H HA 0.240 4.796 4.556 -0.000 0.000 0.347 644 H C -2.190 172.639 175.328 -0.832 0.000 1.042 644 H CA -2.053 53.559 56.048 -0.726 0.000 1.276 644 H CB 2.666 32.209 29.762 -0.365 0.000 1.681 644 H HN 0.433 nan 8.280 nan 0.000 0.521 645 P HA -0.025 nan 4.420 nan 0.000 0.225 645 P C 1.042 178.190 177.300 -0.254 0.000 1.148 645 P CA 0.986 63.791 63.100 -0.492 0.000 0.779 645 P CB 0.139 31.661 31.700 -0.296 0.000 0.780 646 G N -0.309 108.420 108.800 -0.119 0.000 3.284 646 G HA2 0.031 3.991 3.960 -0.000 0.000 0.236 646 G HA3 0.031 3.991 3.960 -0.000 0.000 0.236 646 G C 0.117 174.952 174.900 -0.109 0.000 1.158 646 G CA -0.147 44.943 45.100 -0.016 0.000 0.774 646 G HN 0.258 nan 8.290 nan 0.000 0.545 647 E N 0.426 120.466 120.200 -0.267 0.000 2.183 647 E HA 0.381 4.731 4.350 -0.000 0.000 0.250 647 E C 0.174 176.582 176.600 -0.320 0.000 0.901 647 E CA -0.429 55.599 56.400 -0.621 0.000 0.741 647 E CB 1.295 30.262 29.700 -1.222 0.000 1.182 647 E HN 0.181 nan 8.360 nan 0.000 0.425 648 R N 1.428 121.746 120.500 -0.305 0.000 2.556 648 R HA 0.205 4.545 4.340 -0.000 0.000 0.276 648 R C -0.403 175.667 176.300 -0.384 0.000 0.931 648 R CA 0.048 55.857 56.100 -0.485 0.000 1.061 648 R CB 0.837 30.494 30.300 -1.071 0.000 1.432 648 R HN 0.231 nan 8.270 nan 0.000 0.547 649 F N 1.888 122.058 119.950 0.366 0.000 2.507 649 F HA 0.373 4.900 4.527 -0.000 0.000 0.328 649 F C -1.694 174.050 175.800 -0.092 0.000 1.136 649 F CA -3.018 55.056 58.000 0.124 0.000 0.930 649 F CB 1.612 40.600 39.000 -0.019 0.000 1.166 649 F HN -0.253 nan 8.300 nan 0.000 0.436 650 P HA -0.167 nan 4.420 nan 0.000 0.222 650 P C 0.756 177.685 177.300 -0.618 0.000 1.147 650 P CA 1.433 64.136 63.100 -0.662 0.000 0.790 650 P CB 0.298 31.425 31.700 -0.954 0.000 0.780 651 E N 0.192 120.149 120.200 -0.406 0.000 2.481 651 E HA 0.211 4.561 4.350 -0.000 0.000 0.198 651 E C 0.663 177.188 176.600 -0.124 0.000 1.027 651 E CA 0.326 56.634 56.400 -0.154 0.000 0.900 651 E CB -0.230 29.443 29.700 -0.045 0.000 0.993 651 E HN 0.119 nan 8.360 nan 0.000 0.482 652 G N 1.942 110.674 108.800 -0.114 0.000 2.690 652 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.686 652 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.686 652 G C 0.099 174.994 174.900 -0.008 0.000 1.277 652 G CA -0.088 44.974 45.100 -0.064 0.000 0.799 652 G HN 0.093 nan 8.290 nan 0.000 0.613 653 K N -0.552 119.856 120.400 0.014 0.000 2.032 653 K HA -0.090 4.230 4.320 -0.000 0.000 0.209 653 K C 0.379 176.585 176.600 -0.657 0.000 1.048 653 K CA 1.709 57.822 56.287 -0.289 0.000 0.927 653 K CB -0.140 32.144 32.500 -0.359 0.000 0.712 653 K HN 0.496 nan 8.250 nan 0.000 0.441 654 Y N 0.149 120.413 120.300 -0.060 0.000 2.747 654 Y HA 0.234 4.784 4.550 0.000 0.000 0.362 654 Y C -1.989 173.850 175.900 -0.101 0.000 1.026 654 Y CA -2.284 55.767 58.100 -0.082 0.000 1.135 654 Y CB 1.264 39.693 38.460 -0.053 0.000 1.175 654 Y HN 0.145 nan 8.280 nan 0.000 0.643 655 P HA -0.015 nan 4.420 nan 0.000 0.249 655 P C -0.013 177.254 177.300 -0.056 0.000 1.229 655 P CA 0.281 63.350 63.100 -0.051 0.000 0.788 655 P CB 0.423 32.090 31.700 -0.054 0.000 1.072 656 N N 1.836 120.512 118.700 -0.041 0.000 2.442 656 N HA 0.022 4.762 4.740 -0.000 0.000 0.265 656 N C 0.529 175.911 175.510 -0.212 0.000 1.138 656 N CA 0.069 53.059 53.050 -0.099 0.000 0.956 656 N CB -0.261 38.180 38.487 -0.076 0.000 1.067 656 N HN -0.124 nan 8.380 nan 0.000 0.474 657 R N 0.337 120.699 120.500 -0.230 0.000 3.847 657 R HA -0.206 4.134 4.340 -0.000 0.000 0.304 657 R C -0.075 176.042 176.300 -0.305 0.000 1.203 657 R CA 0.923 56.850 56.100 -0.289 0.000 0.835 657 R CB -2.644 27.315 30.300 -0.569 0.000 1.253 657 R HN 0.785 nan 8.270 nan 0.000 0.516 658 S N -0.518 115.041 115.700 -0.234 0.000 2.559 658 S HA 0.038 4.508 4.470 -0.000 0.000 0.282 658 S C 1.485 175.821 174.600 -0.440 0.000 1.336 658 S CA 0.391 58.420 58.200 -0.285 0.000 1.037 658 S CB 1.352 64.422 63.200 -0.217 0.000 0.853 658 S HN 0.377 nan 8.310 nan 0.000 0.523 659 T N -2.309 111.946 114.554 -0.498 0.000 2.971 659 T HA 0.267 4.617 4.350 -0.000 0.000 0.252 659 T C 0.367 175.121 174.700 0.089 0.000 1.022 659 T CA 0.452 62.194 62.100 -0.596 0.000 0.980 659 T CB -0.547 67.947 68.868 -0.624 0.000 1.044 659 T HN 1.001 nan 8.240 nan 0.000 0.501 660 H N -0.980 118.102 119.070 0.020 0.000 3.043 660 H HA 0.741 5.297 4.556 -0.000 0.000 0.302 660 H C -1.313 174.006 175.328 -0.015 0.000 1.506 660 H CA -1.076 55.032 56.048 0.100 0.000 1.282 660 H CB 0.522 30.335 29.762 0.084 0.000 1.914 660 H HN -0.055 nan 8.280 nan 0.000 0.625 661 D N 0.459 120.871 120.400 0.020 0.000 2.359 661 D HA 0.095 4.735 4.640 -0.000 0.000 0.230 661 D C 0.438 176.675 176.300 -0.106 0.000 1.118 661 D CA -0.205 53.725 54.000 -0.115 0.000 0.844 661 D CB 1.058 41.750 40.800 -0.181 0.000 1.059 661 D HN 0.737 nan 8.370 nan 0.000 0.493 662 T N 0.368 114.807 114.554 -0.191 0.000 3.069 662 T HA 0.314 4.664 4.350 -0.000 0.000 0.252 662 T C 1.117 175.603 174.700 -0.356 0.000 1.053 662 T CA -0.150 61.847 62.100 -0.171 0.000 0.964 662 T CB 0.701 69.492 68.868 -0.129 0.000 1.005 662 T HN 0.268 nan 8.240 nan 0.000 0.532 663 G N 1.418 109.916 108.800 -0.503 0.000 3.137 663 G HA2 0.459 4.419 3.960 -0.000 0.000 0.163 663 G HA3 0.459 4.419 3.960 -0.000 0.000 0.163 663 G C 0.839 174.856 174.900 -1.472 0.000 1.602 663 G CA -0.674 43.876 45.100 -0.917 0.000 1.067 663 G HN 0.290 nan 8.290 nan 0.000 0.568 664 L N 0.943 121.418 121.223 -1.247 0.000 2.187 664 L HA -0.040 4.300 4.340 -0.000 0.000 0.213 664 L C 3.057 179.488 176.870 -0.731 0.000 1.100 664 L CA 1.004 55.117 54.840 -1.212 0.000 0.765 664 L CB -0.490 40.576 42.059 -1.655 0.000 0.904 664 L HN 0.593 nan 8.230 nan 0.000 0.437 665 G N -0.770 107.716 108.800 -0.524 0.000 2.446 665 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.217 665 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.217 665 G C 1.471 176.266 174.900 -0.175 0.000 1.168 665 G CA 0.839 45.807 45.100 -0.220 0.000 0.771 665 G HN 0.451 nan 8.290 nan 0.000 0.551 666 Q N -0.998 118.639 119.800 -0.272 0.000 2.123 666 Q HA -0.107 4.233 4.340 -0.000 0.000 0.199 666 Q C 2.185 178.177 176.000 -0.013 0.000 0.966 666 Q CA 0.991 56.716 55.803 -0.130 0.000 0.845 666 Q CB -0.205 28.463 28.738 -0.116 0.000 0.907 666 Q HN 0.545 nan 8.270 nan 0.000 0.439 667 Y N 0.270 120.476 120.300 -0.157 0.000 2.421 667 Y HA -0.029 4.521 4.550 -0.000 0.000 0.292 667 Y C 2.289 178.150 175.900 -0.065 0.000 1.136 667 Y CA 1.039 59.049 58.100 -0.150 0.000 1.255 667 Y CB -0.182 38.123 38.460 -0.260 0.000 0.991 667 Y HN 0.299 nan 8.280 nan 0.000 0.552 668 S N -1.394 114.375 115.700 0.115 0.000 2.603 668 S HA 0.096 4.566 4.470 -0.000 0.000 0.232 668 S C 1.740 176.398 174.600 0.098 0.000 1.016 668 S CA -0.415 57.869 58.200 0.140 0.000 0.976 668 S CB 0.139 63.480 63.200 0.236 0.000 0.921 668 S HN 0.242 nan 8.310 nan 0.000 0.516 669 K N 1.881 122.318 120.400 0.062 0.000 2.117 669 K HA -0.247 4.073 4.320 -0.000 0.000 0.215 669 K C 0.144 176.769 176.600 0.041 0.000 1.053 669 K CA 2.313 58.623 56.287 0.039 0.000 0.935 669 K CB -0.460 32.052 32.500 0.020 0.000 0.719 669 K HN 0.358 nan 8.250 nan 0.000 0.460 670 D N 0.571 120.997 120.400 0.044 0.000 2.325 670 D HA -0.015 4.625 4.640 -0.000 0.000 0.225 670 D C -0.149 176.179 176.300 0.047 0.000 1.096 670 D CA 0.031 54.054 54.000 0.038 0.000 0.844 670 D CB -0.454 40.365 40.800 0.031 0.000 0.925 670 D HN 0.247 nan 8.370 nan 0.000 0.513 671 N N 2.186 120.921 118.700 0.059 0.000 2.669 671 N HA -0.214 4.526 4.740 -0.000 0.000 0.266 671 N C -0.572 174.974 175.510 0.060 0.000 1.024 671 N CA 0.499 53.586 53.050 0.061 0.000 0.766 671 N CB -0.628 37.888 38.487 0.048 0.000 0.898 671 N HN 0.392 nan 8.380 nan 0.000 0.548 672 E N -0.524 119.718 120.200 0.070 0.000 2.342 672 E HA 0.228 4.578 4.350 -0.000 0.000 0.257 672 E C 0.348 176.992 176.600 0.073 0.000 1.150 672 E CA -0.582 55.858 56.400 0.067 0.000 0.926 672 E CB 0.489 30.231 29.700 0.070 0.000 1.074 672 E HN 0.369 nan 8.360 nan 0.000 0.449 673 S N 0.530 116.271 115.700 0.068 0.000 2.549 673 S HA 0.080 4.550 4.470 -0.000 0.000 0.279 673 S C 0.219 174.868 174.600 0.081 0.000 1.321 673 S CA -0.407 57.834 58.200 0.068 0.000 1.054 673 S CB 0.101 63.336 63.200 0.058 0.000 0.899 673 S HN 0.444 nan 8.310 nan 0.000 0.497 674 L N 3.294 124.566 121.223 0.082 0.000 3.141 674 L HA 0.364 4.704 4.340 -0.000 0.000 0.267 674 L C -0.211 176.705 176.870 0.077 0.000 1.281 674 L CA -0.249 54.645 54.840 0.091 0.000 1.037 674 L CB 0.257 42.378 42.059 0.103 0.000 1.407 674 L HN 0.584 nan 8.230 nan 0.000 0.566 675 D N 0.648 121.087 120.400 0.066 0.000 2.317 675 D HA 0.099 4.739 4.640 -0.000 0.000 0.234 675 D C 0.546 176.876 176.300 0.051 0.000 1.112 675 D CA -0.165 53.868 54.000 0.055 0.000 0.840 675 D CB 0.610 41.440 40.800 0.049 0.000 1.078 675 D HN 0.020 nan 8.370 nan 0.000 0.486 676 N N 2.287 121.016 118.700 0.047 0.000 2.669 676 N HA -0.243 4.497 4.740 -0.000 0.000 0.266 676 N C -1.438 174.098 175.510 0.043 0.000 1.024 676 N CA 1.291 54.365 53.050 0.040 0.000 0.766 676 N CB -0.693 37.812 38.487 0.031 0.000 0.898 676 N HN 0.433 nan 8.380 nan 0.000 0.548 677 T N -0.781 113.806 114.554 0.055 0.000 2.754 677 T HA 0.259 4.609 4.350 -0.000 0.000 0.296 677 T C -1.745 172.999 174.700 0.073 0.000 1.205 677 T CA -0.712 61.425 62.100 0.062 0.000 1.009 677 T CB 1.109 70.021 68.868 0.074 0.000 1.368 677 T HN 0.142 nan 8.240 nan 0.000 0.509 678 D N 1.395 121.846 120.400 0.084 0.000 2.346 678 D HA 0.532 5.172 4.640 -0.000 0.000 0.260 678 D C -0.197 176.197 176.300 0.157 0.000 1.252 678 D CA 0.069 54.127 54.000 0.096 0.000 0.895 678 D CB 0.627 41.475 40.800 0.081 0.000 1.097 678 D HN 0.736 nan 8.370 nan 0.000 0.489 679 A N 3.030 125.936 122.820 0.143 0.000 2.299 679 A HA 0.703 5.023 4.320 -0.000 0.000 0.332 679 A C -0.858 176.835 177.584 0.182 0.000 1.131 679 A CA -0.638 51.503 52.037 0.174 0.000 0.844 679 A CB 1.596 20.686 19.000 0.149 0.000 1.251 679 A HN 0.358 nan 8.150 nan 0.000 0.486 680 V N 1.349 121.392 119.914 0.215 0.000 2.525 680 V HA 0.376 4.496 4.120 -0.000 0.000 0.299 680 V C -0.557 175.620 176.094 0.138 0.000 1.034 680 V CA -0.488 61.891 62.300 0.131 0.000 0.863 680 V CB 1.541 33.461 31.823 0.162 0.000 0.999 680 V HN 0.680 nan 8.190 nan 0.000 0.423 681 V N 4.260 124.176 119.914 0.004 0.000 2.481 681 V HA 0.501 4.621 4.120 -0.000 0.000 0.286 681 V C -1.014 175.077 176.094 -0.005 0.000 1.042 681 V CA -0.426 61.949 62.300 0.126 0.000 0.928 681 V CB 1.747 33.627 31.823 0.095 0.000 0.986 681 V HN 0.900 nan 8.190 nan 0.000 0.462 682 W N 4.718 126.147 121.300 0.216 0.000 2.538 682 W HA 0.676 5.336 4.660 -0.000 0.000 0.322 682 W C -0.217 176.470 176.519 0.279 0.000 1.028 682 W CA -0.591 56.878 57.345 0.208 0.000 1.228 682 W CB 1.291 30.833 29.460 0.137 0.000 1.356 682 W HN 0.252 nan 8.180 nan 0.000 0.452 683 M N 3.184 123.035 119.600 0.418 0.000 2.129 683 M HA 0.361 4.841 4.480 -0.000 0.000 0.348 683 M C -0.185 176.364 176.300 0.416 0.000 1.116 683 M CA -0.174 55.349 55.300 0.371 0.000 1.022 683 M CB 1.506 34.269 32.600 0.271 0.000 1.599 683 M HN 0.241 nan 8.290 nan 0.000 0.449 684 T N 1.902 116.711 114.554 0.426 0.000 2.749 684 T HA 0.445 4.795 4.350 -0.000 0.000 0.287 684 T C -0.201 174.708 174.700 0.349 0.000 0.970 684 T CA -0.305 62.036 62.100 0.403 0.000 0.980 684 T CB 1.164 70.308 68.868 0.459 0.000 0.924 684 T HN 0.701 nan 8.240 nan 0.000 0.456 685 T N 1.813 116.590 114.554 0.371 0.000 2.909 685 T HA 0.799 5.149 4.350 -0.000 0.000 0.299 685 T C -0.508 174.401 174.700 0.350 0.000 1.073 685 T CA -0.407 61.910 62.100 0.361 0.000 0.999 685 T CB 1.472 70.592 68.868 0.419 0.000 1.098 685 T HN 0.797 nan 8.240 nan 0.000 0.477 686 G N 1.491 110.444 108.800 0.255 0.000 2.677 686 G HA2 0.668 4.628 3.960 -0.000 0.000 0.291 686 G HA3 0.668 4.628 3.960 -0.000 0.000 0.291 686 G C -0.708 174.280 174.900 0.147 0.000 1.435 686 G CA -0.333 44.864 45.100 0.161 0.000 0.826 686 G HN 1.025 nan 8.290 nan 0.000 0.491 687 T N -2.370 112.263 114.554 0.132 0.000 2.924 687 T HA 0.736 5.086 4.350 -0.000 0.000 0.291 687 T C -0.507 174.204 174.700 0.019 0.000 1.045 687 T CA -0.688 61.483 62.100 0.119 0.000 1.015 687 T CB 2.068 71.066 68.868 0.216 0.000 1.103 687 T HN 0.419 nan 8.240 nan 0.000 0.496 688 T N 1.716 116.243 114.554 -0.044 0.000 2.756 688 T HA 0.316 4.666 4.350 -0.000 0.000 0.290 688 T C -0.746 173.829 174.700 -0.208 0.000 0.985 688 T CA -0.422 61.599 62.100 -0.131 0.000 0.955 688 T CB -0.054 68.748 68.868 -0.109 0.000 0.930 688 T HN 0.797 nan 8.240 nan 0.000 0.451 689 H N 3.437 122.216 119.070 -0.486 0.000 2.690 689 H HA 0.528 5.084 4.556 0.000 0.000 0.289 689 H C -0.795 174.259 175.328 -0.457 0.000 1.089 689 H CA -0.765 54.907 56.048 -0.628 0.000 1.299 689 H CB 0.406 29.744 29.762 -0.707 0.000 1.405 689 H HN 0.294 nan 8.280 nan 0.000 0.463 690 V N 5.049 124.915 119.914 -0.080 0.000 2.370 690 V HA 0.358 4.478 4.120 -0.000 0.000 0.279 690 V C 0.605 176.734 176.094 0.058 0.000 1.029 690 V CA -0.594 61.674 62.300 -0.053 0.000 0.870 690 V CB 0.771 32.559 31.823 -0.059 0.000 0.984 690 V HN 0.911 nan 8.190 nan 0.000 0.451 691 A N 6.555 129.367 122.820 -0.012 0.000 2.346 691 A HA 0.806 5.126 4.320 -0.000 0.000 0.252 691 A C 0.351 177.984 177.584 0.081 0.000 1.089 691 A CA -0.252 51.818 52.037 0.056 0.000 0.797 691 A CB 0.471 19.443 19.000 -0.047 0.000 1.047 691 A HN 1.013 nan 8.150 nan 0.000 0.494 692 R N -1.002 119.576 120.500 0.129 0.000 2.795 692 R HA 0.679 5.019 4.340 -0.000 0.000 0.268 692 R C 0.322 176.686 176.300 0.106 0.000 1.041 692 R CA -0.146 56.007 56.100 0.088 0.000 0.927 692 R CB 1.086 31.440 30.300 0.090 0.000 1.235 692 R HN 0.677 nan 8.270 nan 0.000 0.463 693 A N 0.665 123.533 122.820 0.080 0.000 2.014 693 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 693 A C 1.401 179.070 177.584 0.143 0.000 1.163 693 A CA 1.322 53.422 52.037 0.104 0.000 0.652 693 A CB -0.549 18.487 19.000 0.060 0.000 0.808 693 A HN 0.823 nan 8.150 nan 0.000 0.449 694 E N 0.624 120.889 120.200 0.109 0.000 2.396 694 E HA -0.164 4.186 4.350 -0.000 0.000 0.200 694 E C 1.030 177.697 176.600 0.111 0.000 1.023 694 E CA 1.317 57.774 56.400 0.095 0.000 0.857 694 E CB -0.165 29.580 29.700 0.074 0.000 0.775 694 E HN 0.799 nan 8.360 nan 0.000 0.525 695 E N -1.013 119.288 120.200 0.169 0.000 2.465 695 E HA 0.058 4.408 4.350 -0.000 0.000 0.195 695 E C -0.382 176.376 176.600 0.262 0.000 1.028 695 E CA -0.277 56.236 56.400 0.187 0.000 0.899 695 E CB 0.420 30.272 29.700 0.255 0.000 1.032 695 E HN 0.189 nan 8.360 nan 0.000 0.468 696 W N 2.170 123.478 121.300 0.014 0.000 2.839 696 W HA 0.259 4.919 4.660 -0.000 0.000 0.334 696 W C -2.469 174.060 176.519 0.017 0.000 1.064 696 W CA -2.100 55.250 57.345 0.009 0.000 1.236 696 W CB 1.897 31.363 29.460 0.010 0.000 1.405 696 W HN -0.122 nan 8.180 nan 0.000 0.478 697 P HA 0.160 nan 4.420 nan 0.000 0.249 697 P C -0.137 176.738 177.300 -0.708 0.000 1.229 697 P CA 0.639 62.948 63.100 -1.318 0.000 0.788 697 P CB 1.443 32.616 31.700 -0.878 0.000 1.072 698 I N -0.382 119.985 120.570 -0.338 0.000 2.619 698 I HA 0.362 4.532 4.170 -0.000 0.000 0.292 698 I C -0.984 175.046 176.117 -0.146 0.000 1.100 698 I CA -1.579 59.545 61.300 -0.294 0.000 1.043 698 I CB 2.809 40.626 38.000 -0.305 0.000 1.239 698 I HN -0.292 nan 8.210 nan 0.000 0.420 699 M N 9.480 128.995 119.600 -0.143 0.000 2.084 699 M HA 0.490 4.970 4.480 -0.000 0.000 0.351 699 M C -2.426 173.802 176.300 -0.121 0.000 1.240 699 M CA -1.536 53.727 55.300 -0.062 0.000 1.083 699 M CB 0.999 33.597 32.600 -0.003 0.000 1.593 699 M HN 0.226 nan 8.290 nan 0.000 0.463 700 P HA -0.025 nan 4.420 nan 0.000 0.261 700 P C -0.804 176.392 177.300 -0.172 0.000 1.173 700 P CA 0.401 63.440 63.100 -0.102 0.000 0.760 700 P CB 0.248 31.913 31.700 -0.059 0.000 0.783 701 T N 4.216 118.655 114.554 -0.191 0.000 2.908 701 T HA 0.055 4.405 4.350 -0.000 0.000 0.301 701 T C 0.268 174.742 174.700 -0.376 0.000 1.019 701 T CA 0.182 62.080 62.100 -0.338 0.000 1.152 701 T CB 0.003 68.678 68.868 -0.322 0.000 0.966 701 T HN 0.345 nan 8.240 nan 0.000 0.540 702 E N 2.065 121.940 120.200 -0.541 0.000 2.199 702 E HA 0.322 4.672 4.350 -0.000 0.000 0.269 702 E C -1.019 175.270 176.600 -0.518 0.000 0.899 702 E CA -0.522 55.587 56.400 -0.485 0.000 0.772 702 E CB 1.854 31.120 29.700 -0.723 0.000 1.155 702 E HN 0.596 nan 8.360 nan 0.000 0.408 703 W N 1.542 122.685 121.300 -0.261 0.000 2.666 703 W HA 0.436 5.096 4.660 0.000 0.000 0.334 703 W C -0.141 176.141 176.519 -0.395 0.000 1.051 703 W CA -0.771 56.380 57.345 -0.323 0.000 1.224 703 W CB 1.603 30.864 29.460 -0.332 0.000 1.405 703 W HN 0.242 nan 8.180 nan 0.000 0.513 704 V N -0.253 119.581 119.914 -0.133 0.000 2.919 704 V HA 0.632 4.752 4.120 -0.000 0.000 0.316 704 V C -0.772 175.112 176.094 -0.351 0.000 1.077 704 V CA -0.833 61.358 62.300 -0.181 0.000 0.977 704 V CB 1.863 33.759 31.823 0.122 0.000 1.039 704 V HN 0.595 nan 8.190 nan 0.000 0.441 705 H N 2.028 121.126 119.070 0.046 0.000 2.679 705 H HA 0.771 5.327 4.556 0.000 0.000 0.360 705 H C -0.245 175.029 175.328 -0.089 0.000 1.105 705 H CA 0.115 56.125 56.048 -0.063 0.000 1.196 705 H CB 2.219 31.913 29.762 -0.112 0.000 1.636 705 H HN 1.102 nan 8.280 nan 0.000 0.531 706 T N 0.087 114.621 114.554 -0.034 0.000 2.887 706 T HA 0.684 5.034 4.350 -0.000 0.000 0.292 706 T C -1.053 173.554 174.700 -0.156 0.000 1.087 706 T CA -0.850 61.193 62.100 -0.095 0.000 1.009 706 T CB 2.045 70.831 68.868 -0.138 0.000 1.203 706 T HN 0.228 nan 8.240 nan 0.000 0.518 707 L N 0.291 121.426 121.223 -0.146 0.000 2.545 707 L HA 0.632 4.972 4.340 -0.000 0.000 0.258 707 L C -1.764 175.054 176.870 -0.087 0.000 0.942 707 L CA -0.693 54.064 54.840 -0.138 0.000 0.855 707 L CB 2.210 44.204 42.059 -0.108 0.000 1.374 707 L HN 0.827 nan 8.230 nan 0.000 0.411 708 L N 3.910 125.105 121.223 -0.048 0.000 2.342 708 L HA 0.572 4.912 4.340 -0.000 0.000 0.276 708 L C -0.668 176.345 176.870 0.238 0.000 0.997 708 L CA -0.681 54.226 54.840 0.111 0.000 0.838 708 L CB 1.595 43.697 42.059 0.071 0.000 1.224 708 L HN 0.493 nan 8.230 nan 0.000 0.416 709 K N 4.290 124.790 120.400 0.166 0.000 2.270 709 K HA 0.515 4.835 4.320 -0.000 0.000 0.255 709 K C -2.619 173.677 176.600 -0.507 0.000 0.936 709 K CA -1.919 54.337 56.287 -0.051 0.000 0.809 709 K CB 2.035 34.538 32.500 0.005 0.000 1.131 709 K HN 0.206 nan 8.250 nan 0.000 0.427 710 P HA -0.078 nan 4.420 nan 0.000 0.268 710 P C -0.926 176.213 177.300 -0.269 0.000 1.205 710 P CA -0.043 62.423 63.100 -1.057 0.000 0.771 710 P CB 0.565 32.010 31.700 -0.424 0.000 0.858 711 W N 5.230 126.353 121.300 -0.296 0.000 2.466 711 W HA 0.162 4.822 4.660 0.000 0.000 0.303 711 W C -0.390 176.117 176.519 -0.020 0.000 0.999 711 W CA -0.318 56.967 57.345 -0.100 0.000 1.437 711 W CB -0.084 29.335 29.460 -0.069 0.000 1.274 711 W HN 0.539 nan 8.180 nan 0.000 0.417 712 N N 3.249 121.870 118.700 -0.133 0.000 2.741 712 N HA -0.319 4.421 4.740 -0.000 0.000 0.250 712 N C 0.358 175.871 175.510 0.006 0.000 1.115 712 N CA 1.455 54.468 53.050 -0.061 0.000 0.724 712 N CB -1.952 36.534 38.487 -0.002 0.000 1.090 712 N HN 0.523 nan 8.380 nan 0.000 0.558 713 F N -0.255 119.590 119.950 -0.175 0.000 2.293 713 F HA 0.185 4.712 4.527 -0.000 0.000 0.297 713 F C 0.748 176.216 175.800 -0.553 0.000 1.089 713 F CA 0.857 58.639 58.000 -0.364 0.000 1.377 713 F CB 0.214 38.905 39.000 -0.515 0.000 1.051 713 F HN -0.010 nan 8.300 nan 0.000 0.511 714 F N -0.266 119.688 119.950 0.008 0.000 2.572 714 F HA 0.279 4.806 4.527 -0.000 0.000 0.342 714 F C 1.076 176.825 175.800 -0.085 0.000 1.064 714 F CA -0.927 57.040 58.000 -0.054 0.000 1.008 714 F CB 0.488 39.461 39.000 -0.046 0.000 1.303 714 F HN -0.353 nan 8.300 nan 0.000 0.492 715 D N -0.018 120.469 120.400 0.145 0.000 2.349 715 D HA 0.098 4.738 4.640 -0.000 0.000 0.214 715 D C -0.286 176.022 176.300 0.013 0.000 1.063 715 D CA 0.529 54.550 54.000 0.035 0.000 0.847 715 D CB 0.247 41.053 40.800 0.010 0.000 0.933 715 D HN 0.710 nan 8.370 nan 0.000 0.513 716 E N -2.141 118.077 120.200 0.030 0.000 2.382 716 E HA 0.097 4.447 4.350 -0.000 0.000 0.280 716 E C -1.232 175.323 176.600 -0.076 0.000 1.161 716 E CA -0.826 55.550 56.400 -0.039 0.000 0.905 716 E CB 0.001 29.674 29.700 -0.045 0.000 1.268 716 E HN -0.252 nan 8.360 nan 0.000 0.426 717 T N 2.945 117.428 114.554 -0.118 0.000 2.525 717 T HA -0.015 4.335 4.350 -0.000 0.000 0.239 717 T C -1.803 172.801 174.700 -0.162 0.000 1.047 717 T CA 0.110 62.124 62.100 -0.143 0.000 1.215 717 T CB -0.223 68.538 68.868 -0.178 0.000 1.025 717 T HN 0.348 nan 8.240 nan 0.000 0.487 718 P HA 0.052 nan 4.420 nan 0.000 0.241 718 P C 1.395 178.596 177.300 -0.165 0.000 1.191 718 P CA 0.373 63.234 63.100 -0.398 0.000 0.771 718 P CB 0.113 31.262 31.700 -0.918 0.000 0.929 719 T N -4.082 110.448 114.554 -0.041 0.000 3.060 719 T HA 0.170 4.520 4.350 -0.000 0.000 0.249 719 T C 1.644 176.405 174.700 0.102 0.000 1.079 719 T CA -0.104 62.023 62.100 0.046 0.000 1.013 719 T CB -0.846 68.092 68.868 0.117 0.000 0.975 719 T HN -0.006 nan 8.240 nan 0.000 0.518 720 L N 1.325 122.598 121.223 0.083 0.000 2.189 720 L HA 0.102 4.442 4.340 -0.000 0.000 0.214 720 L C 1.576 178.476 176.870 0.049 0.000 1.097 720 L CA 1.314 56.203 54.840 0.083 0.000 0.764 720 L CB -1.105 40.950 42.059 -0.006 0.000 0.900 720 L HN 0.754 nan 8.230 nan 0.000 0.436 721 G N -1.729 107.080 108.800 0.014 0.000 2.612 721 G HA2 0.025 3.985 3.960 -0.000 0.000 0.686 721 G HA3 0.025 3.985 3.960 -0.000 0.000 0.686 721 G C -0.398 174.499 174.900 -0.005 0.000 1.274 721 G CA -0.612 44.487 45.100 -0.001 0.000 0.849 721 G HN 0.414 nan 8.290 nan 0.000 0.595 722 A N -0.042 122.773 122.820 -0.008 0.000 2.366 722 A HA 0.698 5.018 4.320 -0.000 0.000 0.249 722 A C 0.928 178.510 177.584 -0.003 0.000 1.084 722 A CA 0.131 52.166 52.037 -0.004 0.000 0.794 722 A CB 0.240 19.236 19.000 -0.006 0.000 1.034 722 A HN 1.372 nan 8.150 nan 0.000 0.491 723 L N 0.889 122.110 121.223 -0.003 0.000 2.436 723 L HA 0.184 4.524 4.340 -0.000 0.000 0.265 723 L C 1.358 178.225 176.870 -0.004 0.000 1.168 723 L CA -0.233 54.605 54.840 -0.004 0.000 0.815 723 L CB 0.665 42.721 42.059 -0.005 0.000 1.109 723 L HN 0.787 nan 8.230 nan 0.000 0.462 724 K N 1.437 121.834 120.400 -0.004 0.000 2.525 724 K HA 0.095 4.415 4.320 -0.000 0.000 0.192 724 K C 0.225 176.822 176.600 -0.005 0.000 1.029 724 K CA 0.364 56.648 56.287 -0.005 0.000 1.029 724 K CB -0.108 32.390 32.500 -0.004 0.000 0.814 724 K HN 0.610 nan 8.250 nan 0.000 0.503 725 K N 0.000 120.397 120.400 -0.005 0.000 2.780 725 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 725 K CA 0.000 nan 56.287 nan 0.000 0.838 725 K CB 0.000 nan 32.500 nan 0.000 1.064 725 K HN 0.000 nan 8.250 nan 0.000 0.543