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 1jey_1_A DATA FIRST_RESID 34 DATA SEQUENCE GRDSLIFLVD ASKAMFESQS EDELTPFDMS IQCIQSVYIS KIISSDRDLL DATA SEQUENCE AVVFYGTEKD KNSVNFKNIY VLQELDNPGA KRILELDQFK GQQGQKRFQD DATA SEQUENCE MMGHGSDYSL SEVLWVCANL FSDVQFKMSH KRIMLFTNED NPHGNDSAKA DATA SEQUENCE SRARTKAGDL RDTGIFLDLM HLKKPGGFDI SLFYRDIISX XXXXXXXVHF DATA SEQUENCE EESSKLEDLL RKVRAKETRK RALSRLKLKL NKDIVISVGI YNLVQKALKP DATA SEQUENCE PPIKLYRETN EPVKTKTRTF NTSTGGLLLP SDTKRSQIYG SRQIILEKEE DATA SEQUENCE TEELKRFDDP GLMLMGFKPL VLLKKHHYLR PSLFVYPEES LVIGSSTLFS DATA SEQUENCE ALLIKCLEKE VAALCRYTPR RNIPPYFVAL VPQEEELDDQ KIQVTPPGFQ DATA SEQUENCE LVFLPFADDK RKMPFTEKIM ATPEQVGKMK AIVEKLRFTY RSDSFENPVL DATA SEQUENCE QQHFRNLEAL ALDLMEPEQA VDLTLPKVEA MNKRLGSLVD EFKELVYPPD DATA SEQUENCE Y 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 34 G HA2 0.000 nan 3.960 nan 0.000 0.244 34 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 34 G C 0.000 174.907 174.900 0.011 0.000 0.946 34 G CA 0.000 45.114 45.100 0.023 0.000 0.502 35 R N 1.703 122.206 120.500 0.005 0.000 2.310 35 R HA 0.473 4.813 4.340 0.001 0.000 0.324 35 R C -1.262 175.029 176.300 -0.015 0.000 0.955 35 R CA -0.747 55.334 56.100 -0.031 0.000 0.830 35 R CB 1.399 31.641 30.300 -0.097 0.000 1.154 35 R HN 0.050 nan 8.270 nan 0.000 0.458 36 D N 0.783 121.175 120.400 -0.013 0.000 2.344 36 D HA 0.187 4.828 4.640 0.001 0.000 0.244 36 D C -0.254 176.048 176.300 0.005 0.000 1.134 36 D CA 0.217 54.223 54.000 0.010 0.000 0.930 36 D CB 1.457 42.259 40.800 0.003 0.000 1.175 36 D HN 0.251 nan 8.370 nan 0.000 0.437 37 S N 0.482 116.215 115.700 0.055 0.000 2.502 37 S HA 0.518 4.989 4.470 0.001 0.000 0.304 37 S C -0.963 173.730 174.600 0.154 0.000 1.097 37 S CA -0.661 57.624 58.200 0.142 0.000 1.045 37 S CB 1.240 64.667 63.200 0.378 0.000 1.019 37 S HN 0.270 nan 8.310 nan 0.000 0.481 38 L N 4.746 125.970 121.223 0.002 0.000 2.406 38 L HA 0.649 4.990 4.340 0.001 0.000 0.272 38 L C -1.478 175.194 176.870 -0.329 0.000 0.980 38 L CA -0.335 54.399 54.840 -0.177 0.000 0.831 38 L CB 0.960 42.801 42.059 -0.363 0.000 1.253 38 L HN 0.646 nan 8.230 nan 0.000 0.406 39 I N 5.323 125.739 120.570 -0.257 0.000 2.354 39 I HA 0.329 4.500 4.170 0.001 0.000 0.292 39 I C -0.872 175.100 176.117 -0.242 0.000 0.989 39 I CA -0.373 60.779 61.300 -0.246 0.000 1.188 39 I CB 1.115 38.981 38.000 -0.225 0.000 1.342 39 I HN 0.467 nan 8.210 nan 0.000 0.457 40 F N 6.856 126.858 119.950 0.086 0.000 2.391 40 F HA 0.357 4.884 4.527 0.001 0.000 0.359 40 F C -0.097 175.722 175.800 0.032 0.000 1.122 40 F CA -0.678 57.404 58.000 0.136 0.000 1.120 40 F CB 1.131 40.162 39.000 0.052 0.000 1.142 40 F HN 0.261 nan 8.300 nan 0.000 0.483 41 L N 5.747 127.161 121.223 0.319 0.000 2.298 41 L HA 0.652 4.993 4.340 0.001 0.000 0.284 41 L C -1.024 176.023 176.870 0.295 0.000 1.013 41 L CA -0.582 54.401 54.840 0.238 0.000 0.824 41 L CB 1.210 43.425 42.059 0.259 0.000 1.221 41 L HN 0.329 nan 8.230 nan 0.000 0.418 42 V N 3.995 123.940 119.914 0.051 0.000 2.459 42 V HA 0.359 4.480 4.120 0.001 0.000 0.295 42 V C -0.413 175.653 176.094 -0.048 0.000 1.029 42 V CA -0.834 61.472 62.300 0.010 0.000 0.874 42 V CB 1.678 33.361 31.823 -0.232 0.000 0.985 42 V HN 0.695 nan 8.190 nan 0.000 0.438 43 D N 3.686 123.966 120.400 -0.200 0.000 2.390 43 D HA 0.415 5.056 4.640 0.001 0.000 0.249 43 D C 0.497 176.633 176.300 -0.274 0.000 1.144 43 D CA 0.134 53.731 54.000 -0.671 0.000 0.880 43 D CB 1.864 42.485 40.800 -0.297 0.000 1.182 43 D HN 0.678 nan 8.370 nan 0.000 0.451 44 A N 2.873 125.549 122.820 -0.241 0.000 2.574 44 A HA 0.255 4.575 4.320 0.001 0.000 0.283 44 A C 0.786 178.545 177.584 0.291 0.000 1.270 44 A CA -0.406 51.701 52.037 0.117 0.000 0.945 44 A CB 0.002 19.217 19.000 0.359 0.000 1.127 44 A HN 0.423 nan 8.150 nan 0.000 0.522 45 S N 0.187 115.957 115.700 0.116 0.000 2.580 45 S HA 0.071 4.541 4.470 0.001 0.000 0.266 45 S C 1.490 176.296 174.600 0.343 0.000 1.354 45 S CA 0.044 58.382 58.200 0.229 0.000 1.008 45 S CB 0.974 64.294 63.200 0.199 0.000 0.898 45 S HN 0.619 nan 8.310 nan 0.000 0.555 46 K N 1.138 121.725 120.400 0.312 0.000 2.044 46 K HA -0.203 4.118 4.320 0.001 0.000 0.210 46 K C 1.919 178.691 176.600 0.287 0.000 1.049 46 K CA 1.616 58.105 56.287 0.338 0.000 0.927 46 K CB -0.502 32.111 32.500 0.188 0.000 0.713 46 K HN 0.660 nan 8.250 nan 0.000 0.443 47 A N 0.670 123.597 122.820 0.179 0.000 2.121 47 A HA -0.074 4.247 4.320 0.001 0.000 0.218 47 A C 1.926 179.542 177.584 0.054 0.000 1.154 47 A CA 0.978 53.085 52.037 0.116 0.000 0.679 47 A CB -0.285 18.775 19.000 0.100 0.000 0.795 47 A HN 0.323 nan 8.150 nan 0.000 0.458 48 M N -1.334 118.250 119.600 -0.028 0.000 2.394 48 M HA 0.064 4.545 4.480 0.001 0.000 0.264 48 M C 0.402 176.439 176.300 -0.438 0.000 1.073 48 M CA 0.979 56.124 55.300 -0.259 0.000 1.111 48 M CB -0.991 31.339 32.600 -0.450 0.000 1.401 48 M HN 0.489 nan 8.290 nan 0.000 0.448 49 F N 0.232 120.154 119.950 -0.047 0.000 2.639 49 F HA 0.216 4.744 4.527 0.001 0.000 0.300 49 F C 0.161 175.935 175.800 -0.044 0.000 1.109 49 F CA -0.344 57.594 58.000 -0.102 0.000 1.335 49 F CB -0.020 38.831 39.000 -0.248 0.000 1.014 49 F HN 0.059 nan 8.300 nan 0.000 0.537 50 E N -0.171 120.085 120.200 0.094 0.000 2.155 50 E HA 0.181 4.531 4.350 0.001 0.000 0.264 50 E C 0.702 177.327 176.600 0.042 0.000 0.886 50 E CA -0.182 56.262 56.400 0.073 0.000 0.752 50 E CB 1.485 31.231 29.700 0.076 0.000 1.133 50 E HN 0.130 nan 8.360 nan 0.000 0.414 51 S N 3.272 118.993 115.700 0.036 0.000 2.447 51 S HA -0.205 4.266 4.470 0.001 0.000 0.233 51 S C 0.757 175.369 174.600 0.020 0.000 1.006 51 S CA 0.515 58.728 58.200 0.022 0.000 0.957 51 S CB -0.223 62.987 63.200 0.018 0.000 0.773 51 S HN 0.695 nan 8.310 nan 0.000 0.507 52 Q N 0.427 120.243 119.800 0.026 0.000 2.504 52 Q HA -0.150 4.191 4.340 0.001 0.000 0.269 52 Q C -0.186 175.825 176.000 0.018 0.000 0.970 52 Q CA 0.418 56.236 55.803 0.025 0.000 1.064 52 Q CB -2.707 26.046 28.738 0.025 0.000 1.355 52 Q HN 1.378 nan 8.270 nan 0.000 0.557 53 S N -1.815 113.895 115.700 0.017 0.000 3.590 53 S HA -0.180 4.290 4.470 0.001 0.000 0.527 53 S C -0.231 174.373 174.600 0.008 0.000 0.745 53 S CA 1.550 59.757 58.200 0.012 0.000 1.392 53 S CB -0.966 62.242 63.200 0.012 0.000 0.906 53 S HN 0.548 nan 8.310 nan 0.000 0.760 54 E N 0.385 120.588 120.200 0.006 0.000 2.425 54 E HA 0.403 4.754 4.350 0.001 0.000 0.272 54 E C -1.200 175.399 176.600 -0.001 0.000 1.061 54 E CA -1.103 55.298 56.400 0.001 0.000 0.877 54 E CB 0.499 30.198 29.700 -0.001 0.000 1.590 54 E HN 0.275 nan 8.360 nan 0.000 0.462 55 D N 0.866 121.263 120.400 -0.005 0.000 2.587 55 D HA 0.134 4.774 4.640 0.001 0.000 0.233 55 D C -0.550 175.743 176.300 -0.011 0.000 1.213 55 D CA 0.361 54.357 54.000 -0.007 0.000 0.827 55 D CB 0.447 41.242 40.800 -0.009 0.000 1.006 55 D HN 0.155 nan 8.370 nan 0.000 0.490 56 E N 0.083 120.278 120.200 -0.010 0.000 2.299 56 E HA 0.427 4.777 4.350 0.001 0.000 0.265 56 E C -0.473 176.121 176.600 -0.010 0.000 0.911 56 E CA -0.715 55.677 56.400 -0.015 0.000 0.789 56 E CB 1.532 31.221 29.700 -0.017 0.000 1.246 56 E HN -0.083 nan 8.360 nan 0.000 0.427 57 L N 0.977 122.190 121.223 -0.016 0.000 2.472 57 L HA 0.351 4.692 4.340 0.001 0.000 0.260 57 L C 0.824 177.690 176.870 -0.008 0.000 1.209 57 L CA -0.686 54.147 54.840 -0.011 0.000 0.817 57 L CB 0.183 42.228 42.059 -0.024 0.000 1.106 57 L HN 0.657 nan 8.230 nan 0.000 0.479 58 T N -2.514 112.043 114.554 0.005 0.000 2.860 58 T HA 0.158 4.509 4.350 0.001 0.000 0.299 58 T C -1.646 173.038 174.700 -0.027 0.000 1.045 58 T CA -1.530 60.571 62.100 0.001 0.000 1.071 58 T CB 0.958 69.840 68.868 0.022 0.000 0.985 58 T HN 0.466 nan 8.240 nan 0.000 0.537 59 P HA -0.116 nan 4.420 nan 0.000 0.218 59 P C 1.321 178.567 177.300 -0.090 0.000 1.148 59 P CA 0.905 63.976 63.100 -0.048 0.000 0.822 59 P CB -0.116 31.568 31.700 -0.027 0.000 0.784 60 F N 1.823 121.576 119.950 -0.330 0.000 2.084 60 F HA -0.164 4.363 4.527 0.001 0.000 0.296 60 F C 2.098 177.723 175.800 -0.291 0.000 1.111 60 F CA 1.842 59.575 58.000 -0.445 0.000 1.224 60 F CB -0.796 37.689 39.000 -0.858 0.000 0.991 60 F HN -0.178 nan 8.300 nan 0.000 0.471 61 D N 0.172 120.540 120.400 -0.054 0.000 2.117 61 D HA -0.249 4.392 4.640 0.001 0.000 0.197 61 D C 2.365 178.555 176.300 -0.183 0.000 0.987 61 D CA 1.479 55.426 54.000 -0.088 0.000 0.829 61 D CB -0.328 40.485 40.800 0.021 0.000 0.961 61 D HN 0.403 nan 8.370 nan 0.000 0.460 62 M N -0.186 119.327 119.600 -0.146 0.000 2.080 62 M HA -0.194 4.287 4.480 0.001 0.000 0.260 62 M C 2.203 178.386 176.300 -0.195 0.000 1.068 62 M CA 1.395 56.617 55.300 -0.130 0.000 1.109 62 M CB 0.037 32.589 32.600 -0.080 0.000 1.342 62 M HN -0.058 nan 8.290 nan 0.000 0.405 63 S N 0.629 116.155 115.700 -0.290 0.000 2.348 63 S HA -0.122 4.349 4.470 0.001 0.000 0.221 63 S C 1.765 175.978 174.600 -0.646 0.000 1.033 63 S CA 1.251 59.150 58.200 -0.502 0.000 1.010 63 S CB -0.387 62.440 63.200 -0.621 0.000 0.891 63 S HN 0.379 nan 8.310 nan 0.000 0.442 64 I N 2.181 122.361 120.570 -0.650 0.000 2.127 64 I HA -0.216 3.954 4.170 0.001 0.000 0.241 64 I C 2.577 178.476 176.117 -0.363 0.000 1.075 64 I CA 1.581 62.570 61.300 -0.520 0.000 1.334 64 I CB -1.593 36.127 38.000 -0.466 0.000 1.040 64 I HN 0.410 nan 8.210 nan 0.000 0.405 65 Q N -0.545 119.089 119.800 -0.276 0.000 2.135 65 Q HA -0.267 4.073 4.340 0.001 0.000 0.204 65 Q C 2.519 178.402 176.000 -0.195 0.000 0.981 65 Q CA 1.964 57.649 55.803 -0.196 0.000 0.856 65 Q CB -0.396 28.256 28.738 -0.142 0.000 0.902 65 Q HN 0.642 nan 8.270 nan 0.000 0.425 66 C N 0.168 119.339 119.300 -0.215 0.000 2.457 66 C HA -0.051 4.410 4.460 0.001 0.000 0.278 66 C C 2.443 177.291 174.990 -0.236 0.000 1.309 66 C CA 0.224 59.145 59.018 -0.161 0.000 1.735 66 C CB -0.818 26.883 27.740 -0.065 0.000 1.992 66 C HN 0.449 nan 8.230 nan 0.000 0.493 67 I N 0.371 120.685 120.570 -0.428 0.000 2.286 67 I HA -0.193 3.977 4.170 0.001 0.000 0.245 67 I C 2.817 178.722 176.117 -0.352 0.000 1.104 67 I CA 1.407 62.321 61.300 -0.644 0.000 1.397 67 I CB -0.684 36.800 38.000 -0.860 0.000 1.072 67 I HN 0.436 nan 8.210 nan 0.000 0.417 68 Q N 0.429 120.048 119.800 -0.301 0.000 2.061 68 Q HA -0.194 4.146 4.340 0.001 0.000 0.204 68 Q C 2.475 178.433 176.000 -0.070 0.000 0.984 68 Q CA 2.052 57.730 55.803 -0.208 0.000 0.846 68 Q CB -0.077 28.550 28.738 -0.185 0.000 0.902 68 Q HN 0.446 nan 8.270 nan 0.000 0.421 69 S N 0.111 115.756 115.700 -0.091 0.000 2.359 69 S HA -0.168 4.302 4.470 0.001 0.000 0.223 69 S C 2.066 176.659 174.600 -0.012 0.000 1.039 69 S CA 1.547 59.715 58.200 -0.054 0.000 1.042 69 S CB -0.368 62.792 63.200 -0.066 0.000 0.915 69 S HN 0.193 nan 8.310 nan 0.000 0.439 70 V N 0.223 120.138 119.914 0.002 0.000 2.407 70 V HA -0.176 3.945 4.120 0.001 0.000 0.248 70 V C 1.940 178.085 176.094 0.085 0.000 1.055 70 V CA 1.575 63.910 62.300 0.058 0.000 1.049 70 V CB -0.901 31.006 31.823 0.140 0.000 0.662 70 V HN 0.424 nan 8.190 nan 0.000 0.455 71 Y N 0.083 120.346 120.300 -0.062 0.000 2.145 71 Y HA -0.185 4.365 4.550 0.001 0.000 0.286 71 Y C 2.328 178.200 175.900 -0.047 0.000 1.145 71 Y CA 1.827 59.910 58.100 -0.028 0.000 1.148 71 Y CB -0.385 38.047 38.460 -0.047 0.000 0.981 71 Y HN 0.152 nan 8.280 nan 0.000 0.507 72 I N -1.423 119.204 120.570 0.094 0.000 2.252 72 I HA -0.298 3.872 4.170 0.001 0.000 0.245 72 I C 2.284 178.345 176.117 -0.094 0.000 1.102 72 I CA 1.385 62.678 61.300 -0.013 0.000 1.385 72 I CB -0.539 37.441 38.000 -0.033 0.000 1.064 72 I HN 0.063 nan 8.210 nan 0.000 0.414 73 S N 0.659 116.318 115.700 -0.068 0.000 2.382 73 S HA -0.127 4.343 4.470 0.001 0.000 0.228 73 S C 1.940 176.483 174.600 -0.095 0.000 1.027 73 S CA 1.057 59.202 58.200 -0.091 0.000 0.991 73 S CB -0.143 63.026 63.200 -0.052 0.000 0.823 73 S HN 0.307 nan 8.310 nan 0.000 0.469 74 K N 1.066 121.428 120.400 -0.064 0.000 2.209 74 K HA 0.093 4.414 4.320 0.001 0.000 0.204 74 K C 1.804 178.358 176.600 -0.077 0.000 1.048 74 K CA 0.774 57.022 56.287 -0.065 0.000 0.940 74 K CB -0.395 32.060 32.500 -0.075 0.000 0.729 74 K HN 0.429 nan 8.250 nan 0.000 0.451 75 I N 0.618 121.127 120.570 -0.103 0.000 2.400 75 I HA -0.184 3.987 4.170 0.001 0.000 0.248 75 I C 1.903 177.860 176.117 -0.265 0.000 1.109 75 I CA 0.398 61.629 61.300 -0.114 0.000 1.425 75 I CB -0.119 37.833 38.000 -0.081 0.000 1.094 75 I HN -0.038 nan 8.210 nan 0.000 0.425 76 I N 0.908 121.195 120.570 -0.471 0.000 2.248 76 I HA -0.254 3.917 4.170 0.001 0.000 0.248 76 I C 2.296 178.284 176.117 -0.215 0.000 1.107 76 I CA 1.778 62.680 61.300 -0.665 0.000 1.373 76 I CB -1.359 36.365 38.000 -0.459 0.000 1.055 76 I HN 0.313 nan 8.210 nan 0.000 0.418 77 S N -0.940 114.693 115.700 -0.112 0.000 2.572 77 S HA 0.160 4.631 4.470 0.001 0.000 0.228 77 S C 0.735 175.340 174.600 0.008 0.000 0.963 77 S CA 0.026 58.212 58.200 -0.023 0.000 0.939 77 S CB -0.011 63.175 63.200 -0.023 0.000 0.804 77 S HN 0.305 nan 8.310 nan 0.000 0.480 78 S N 1.165 116.876 115.700 0.018 0.000 3.631 78 S HA -0.177 4.294 4.470 0.001 0.000 0.366 78 S C -0.295 174.312 174.600 0.012 0.000 0.993 78 S CA 0.883 59.106 58.200 0.039 0.000 1.167 78 S CB -1.983 61.257 63.200 0.067 0.000 0.909 78 S HN 0.868 nan 8.310 nan 0.000 0.478 79 D N 0.297 120.689 120.400 -0.012 0.000 2.350 79 D HA 0.280 4.920 4.640 0.001 0.000 0.249 79 D C 1.140 177.418 176.300 -0.037 0.000 1.119 79 D CA -0.278 53.707 54.000 -0.025 0.000 0.886 79 D CB 0.558 41.335 40.800 -0.039 0.000 1.195 79 D HN 0.287 nan 8.370 nan 0.000 0.437 80 R N 2.139 122.614 120.500 -0.041 0.000 2.359 80 R HA 0.115 4.455 4.340 0.001 0.000 0.231 80 R C -0.276 175.959 176.300 -0.109 0.000 0.913 80 R CA -0.371 55.690 56.100 -0.065 0.000 1.075 80 R CB 0.201 30.474 30.300 -0.046 0.000 1.087 80 R HN 0.468 nan 8.270 nan 0.000 0.515 81 D N 1.191 121.533 120.400 -0.096 0.000 2.368 81 D HA 0.091 4.732 4.640 0.001 0.000 0.240 81 D C 0.162 176.372 176.300 -0.150 0.000 1.169 81 D CA 0.346 54.280 54.000 -0.111 0.000 0.906 81 D CB 0.998 41.746 40.800 -0.088 0.000 1.187 81 D HN -0.025 nan 8.370 nan 0.000 0.435 82 L N 1.315 122.450 121.223 -0.147 0.000 2.295 82 L HA 0.426 4.766 4.340 0.001 0.000 0.285 82 L C -0.093 176.703 176.870 -0.123 0.000 1.035 82 L CA -0.674 54.075 54.840 -0.151 0.000 0.806 82 L CB 0.778 42.748 42.059 -0.147 0.000 1.214 82 L HN 0.053 nan 8.230 nan 0.000 0.426 83 L N 2.677 123.817 121.223 -0.138 0.000 2.342 83 L HA 0.933 5.273 4.340 0.001 0.000 0.271 83 L C -0.163 176.727 176.870 0.033 0.000 1.008 83 L CA -0.612 54.154 54.840 -0.123 0.000 0.818 83 L CB 1.921 43.747 42.059 -0.388 0.000 1.296 83 L HN 0.713 nan 8.230 nan 0.000 0.427 84 A N 1.767 124.651 122.820 0.106 0.000 2.498 84 A HA 0.856 5.177 4.320 0.001 0.000 0.298 84 A C -1.368 176.379 177.584 0.272 0.000 1.075 84 A CA -0.523 51.604 52.037 0.150 0.000 0.714 84 A CB 2.206 21.201 19.000 -0.008 0.000 1.299 84 A HN 0.360 nan 8.150 nan 0.000 0.407 85 V N 1.839 121.887 119.914 0.223 0.000 2.447 85 V HA 0.513 4.634 4.120 0.001 0.000 0.292 85 V C -0.743 175.363 176.094 0.021 0.000 1.021 85 V CA -0.383 61.992 62.300 0.124 0.000 0.850 85 V CB 1.339 33.243 31.823 0.134 0.000 1.005 85 V HN 0.746 nan 8.190 nan 0.000 0.426 86 V N 5.236 125.086 119.914 -0.107 0.000 2.769 86 V HA 0.661 4.781 4.120 0.001 0.000 0.312 86 V C -0.841 175.147 176.094 -0.178 0.000 1.061 86 V CA -0.699 61.604 62.300 0.005 0.000 0.931 86 V CB 2.138 34.027 31.823 0.109 0.000 1.010 86 V HN 0.655 nan 8.190 nan 0.000 0.433 87 F N 3.075 123.233 119.950 0.347 0.000 2.563 87 F HA 0.776 5.304 4.527 0.001 0.000 0.316 87 F C -0.484 175.545 175.800 0.380 0.000 1.076 87 F CA -0.738 57.461 58.000 0.332 0.000 0.921 87 F CB 1.986 41.233 39.000 0.412 0.000 1.209 87 F HN 0.610 nan 8.300 nan 0.000 0.462 88 Y N -1.132 119.388 120.300 0.367 0.000 2.553 88 Y HA 0.725 5.275 4.550 0.001 0.000 0.347 88 Y C 0.226 176.203 175.900 0.128 0.000 1.019 88 Y CA -1.425 56.799 58.100 0.207 0.000 1.032 88 Y CB 1.951 40.452 38.460 0.069 0.000 1.284 88 Y HN 0.878 nan 8.280 nan 0.000 0.466 89 G N 0.859 109.825 108.800 0.276 0.000 2.176 89 G HA2 -0.217 3.744 3.960 0.001 0.000 0.232 89 G HA3 -0.217 3.744 3.960 0.001 0.000 0.232 89 G C 0.007 175.057 174.900 0.250 0.000 0.986 89 G CA 0.005 45.264 45.100 0.264 0.000 0.643 89 G HN 1.273 nan 8.290 nan 0.000 0.522 90 T N -1.968 112.739 114.554 0.255 0.000 2.882 90 T HA 0.594 4.944 4.350 0.001 0.000 0.287 90 T C 1.084 175.867 174.700 0.139 0.000 1.014 90 T CA 0.506 62.712 62.100 0.177 0.000 1.049 90 T CB 2.244 71.197 68.868 0.140 0.000 1.001 90 T HN 0.317 nan 8.240 nan 0.000 0.525 91 E N 0.462 120.695 120.200 0.055 0.000 2.216 91 E HA 0.030 4.381 4.350 0.001 0.000 0.192 91 E C 0.585 177.231 176.600 0.076 0.000 0.988 91 E CA 0.459 56.886 56.400 0.045 0.000 0.834 91 E CB 0.229 29.920 29.700 -0.016 0.000 0.772 91 E HN 0.561 nan 8.360 nan 0.000 0.479 92 K N 1.114 121.566 120.400 0.087 0.000 2.130 92 K HA 0.132 4.453 4.320 0.001 0.000 0.268 92 K C -1.250 175.532 176.600 0.302 0.000 0.983 92 K CA -0.384 56.004 56.287 0.168 0.000 0.893 92 K CB 1.151 33.744 32.500 0.156 0.000 1.066 92 K HN 0.085 nan 8.250 nan 0.000 0.450 93 D N 1.182 121.720 120.400 0.230 0.000 2.457 93 D HA 0.335 4.975 4.640 0.001 0.000 0.240 93 D C -1.207 175.079 176.300 -0.024 0.000 1.041 93 D CA -0.886 53.219 54.000 0.175 0.000 0.861 93 D CB 1.667 42.559 40.800 0.153 0.000 1.394 93 D HN 0.220 nan 8.370 nan 0.000 0.473 94 K N 1.338 121.630 120.400 -0.180 0.000 2.762 94 K HA 0.314 4.634 4.320 0.001 0.000 0.272 94 K C -2.087 174.412 176.600 -0.169 0.000 1.093 94 K CA -0.519 55.571 56.287 -0.328 0.000 1.048 94 K CB 0.140 32.110 32.500 -0.883 0.000 1.304 94 K HN 0.805 nan 8.250 nan 0.000 0.511 95 N N -0.531 118.131 118.700 -0.063 0.000 2.745 95 N HA 0.064 4.804 4.740 0.001 0.000 0.256 95 N C 0.335 175.827 175.510 -0.029 0.000 1.268 95 N CA -0.670 52.372 53.050 -0.014 0.000 0.887 95 N CB 1.335 39.858 38.487 0.060 0.000 1.575 95 N HN 0.117 nan 8.380 nan 0.000 0.496 96 S N -0.568 115.118 115.700 -0.025 0.000 2.420 96 S HA -0.202 4.269 4.470 0.001 0.000 0.237 96 S C 1.444 175.987 174.600 -0.094 0.000 1.023 96 S CA 1.408 59.582 58.200 -0.043 0.000 0.991 96 S CB -0.865 62.322 63.200 -0.021 0.000 0.792 96 S HN 0.872 nan 8.310 nan 0.000 0.488 97 V N -1.867 117.950 119.914 -0.162 0.000 3.647 97 V HA 0.315 4.436 4.120 0.001 0.000 0.279 97 V C 0.304 176.204 176.094 -0.323 0.000 1.314 97 V CA 0.003 62.105 62.300 -0.330 0.000 1.125 97 V CB -1.348 30.084 31.823 -0.653 0.000 0.907 97 V HN 0.426 nan 8.190 nan 0.000 0.434 98 N N -0.181 118.430 118.700 -0.147 0.000 2.747 98 N HA -0.218 4.523 4.740 0.001 0.000 0.249 98 N C -0.252 175.292 175.510 0.056 0.000 1.107 98 N CA 0.836 53.859 53.050 -0.044 0.000 0.707 98 N CB -1.901 36.559 38.487 -0.045 0.000 1.054 98 N HN 0.678 nan 8.380 nan 0.000 0.555 99 F N 1.277 121.247 119.950 0.034 0.000 2.518 99 F HA 0.047 4.575 4.527 0.001 0.000 0.359 99 F C 1.631 177.478 175.800 0.078 0.000 1.118 99 F CA -0.266 57.763 58.000 0.048 0.000 1.287 99 F CB 0.657 39.697 39.000 0.067 0.000 1.132 99 F HN -0.302 nan 8.300 nan 0.000 0.587 100 K N 2.631 123.208 120.400 0.295 0.000 2.237 100 K HA 0.114 4.434 4.320 0.001 0.000 0.270 100 K C 0.005 176.743 176.600 0.230 0.000 1.015 100 K CA -0.336 56.077 56.287 0.209 0.000 0.949 100 K CB 0.500 33.092 32.500 0.153 0.000 0.976 100 K HN 0.686 nan 8.250 nan 0.000 0.472 101 N N 0.265 119.103 118.700 0.229 0.000 2.747 101 N HA -0.204 4.536 4.740 0.001 0.000 0.249 101 N C -1.313 174.399 175.510 0.338 0.000 1.107 101 N CA 0.544 53.759 53.050 0.274 0.000 0.707 101 N CB -1.428 37.236 38.487 0.296 0.000 1.054 101 N HN 0.437 nan 8.380 nan 0.000 0.555 102 I N 0.100 120.864 120.570 0.325 0.000 2.499 102 I HA 0.312 4.482 4.170 0.001 0.000 0.288 102 I C -0.959 175.366 176.117 0.346 0.000 1.048 102 I CA -0.864 60.651 61.300 0.357 0.000 1.062 102 I CB 1.429 39.619 38.000 0.317 0.000 1.238 102 I HN 0.026 nan 8.210 nan 0.000 0.426 103 Y N 6.262 126.736 120.300 0.289 0.000 2.338 103 Y HA 0.467 5.017 4.550 0.001 0.000 0.328 103 Y C -0.510 175.563 175.900 0.288 0.000 0.965 103 Y CA -0.729 57.527 58.100 0.260 0.000 1.208 103 Y CB 1.498 40.102 38.460 0.242 0.000 1.132 103 Y HN 0.235 nan 8.280 nan 0.000 0.469 104 V N 8.638 128.618 119.914 0.111 0.000 2.313 104 V HA -0.033 4.087 4.120 0.001 0.000 0.252 104 V C 0.973 177.217 176.094 0.251 0.000 1.112 104 V CA 0.098 62.501 62.300 0.172 0.000 0.984 104 V CB 0.317 32.180 31.823 0.067 0.000 1.157 104 V HN 0.867 nan 8.190 nan 0.000 0.493 105 L N 4.333 125.859 121.223 0.506 0.000 2.005 105 L HA 0.008 4.349 4.340 0.001 0.000 0.207 105 L C 1.112 178.188 176.870 0.343 0.000 1.072 105 L CA 1.930 57.105 54.840 0.558 0.000 0.744 105 L CB 0.109 42.578 42.059 0.683 0.000 0.895 105 L HN 0.640 nan 8.230 nan 0.000 0.433 106 Q N 0.385 120.352 119.800 0.277 0.000 2.290 106 Q HA 0.276 4.617 4.340 0.001 0.000 0.269 106 Q C -0.855 175.248 176.000 0.171 0.000 1.016 106 Q CA -0.317 55.621 55.803 0.224 0.000 0.754 106 Q CB 1.819 30.715 28.738 0.265 0.000 1.247 106 Q HN 0.265 nan 8.270 nan 0.000 0.451 107 E N 1.530 121.809 120.200 0.133 0.000 2.410 107 E HA 0.133 4.483 4.350 0.001 0.000 0.255 107 E C -0.357 176.295 176.600 0.087 0.000 1.194 107 E CA -0.272 56.183 56.400 0.090 0.000 0.955 107 E CB 0.791 30.540 29.700 0.083 0.000 0.988 107 E HN 0.428 nan 8.360 nan 0.000 0.461 108 L N 2.351 123.602 121.223 0.047 0.000 2.534 108 L HA 0.001 4.342 4.340 0.001 0.000 0.271 108 L C -0.009 176.901 176.870 0.067 0.000 1.178 108 L CA 0.623 55.484 54.840 0.035 0.000 0.907 108 L CB -0.048 42.020 42.059 0.014 0.000 1.164 108 L HN 0.552 nan 8.230 nan 0.000 0.482 109 D N 1.868 122.287 120.400 0.033 0.000 2.710 109 D HA 0.166 4.807 4.640 0.001 0.000 0.276 109 D C -1.021 175.257 176.300 -0.037 0.000 1.267 109 D CA -0.649 53.366 54.000 0.026 0.000 0.772 109 D CB 1.181 42.044 40.800 0.106 0.000 1.299 109 D HN 0.245 nan 8.370 nan 0.000 0.421 110 N N 1.845 120.515 118.700 -0.050 0.000 2.492 110 N HA 0.240 4.980 4.740 0.001 0.000 0.262 110 N C -2.041 173.470 175.510 0.001 0.000 1.202 110 N CA -0.456 52.558 53.050 -0.060 0.000 0.926 110 N CB 0.545 39.011 38.487 -0.035 0.000 1.078 110 N HN 0.327 nan 8.380 nan 0.000 0.454 111 P HA 0.209 nan 4.420 nan 0.000 0.272 111 P C -0.062 177.303 177.300 0.108 0.000 1.230 111 P CA -0.184 62.953 63.100 0.062 0.000 0.788 111 P CB 0.920 32.596 31.700 -0.041 0.000 0.949 112 G N -1.231 107.666 108.800 0.161 0.000 2.721 112 G HA2 0.469 4.430 3.960 0.001 0.000 0.296 112 G HA3 0.469 4.430 3.960 0.001 0.000 0.296 112 G C 0.453 175.422 174.900 0.115 0.000 1.383 112 G CA -0.031 45.142 45.100 0.121 0.000 0.788 112 G HN 0.395 nan 8.290 nan 0.000 0.500 113 A N -0.075 122.796 122.820 0.086 0.000 1.858 113 A HA 0.041 4.362 4.320 0.001 0.000 0.216 113 A C 2.160 179.771 177.584 0.045 0.000 1.190 113 A CA 2.151 54.225 52.037 0.062 0.000 0.617 113 A CB -0.564 18.465 19.000 0.049 0.000 0.827 113 A HN 0.583 nan 8.150 nan 0.000 0.443 114 K N -0.630 119.798 120.400 0.048 0.000 2.063 114 K HA -0.141 4.179 4.320 0.001 0.000 0.208 114 K C 2.318 178.937 176.600 0.031 0.000 1.048 114 K CA 1.587 57.894 56.287 0.034 0.000 0.928 114 K CB -0.204 32.324 32.500 0.045 0.000 0.713 114 K HN 0.375 nan 8.250 nan 0.000 0.442 115 R N 0.555 121.097 120.500 0.069 0.000 2.096 115 R HA -0.052 4.289 4.340 0.001 0.000 0.235 115 R C 2.326 178.593 176.300 -0.055 0.000 1.127 115 R CA 1.180 57.320 56.100 0.066 0.000 0.968 115 R CB -0.270 30.152 30.300 0.203 0.000 0.861 115 R HN 0.206 nan 8.270 nan 0.000 0.440 116 I N 0.505 121.059 120.570 -0.027 0.000 2.202 116 I HA -0.268 3.902 4.170 0.001 0.000 0.242 116 I C 2.308 178.354 176.117 -0.118 0.000 1.091 116 I CA 0.787 62.023 61.300 -0.106 0.000 1.368 116 I CB -0.200 37.795 38.000 -0.009 0.000 1.058 116 I HN 0.150 nan 8.210 nan 0.000 0.410 117 L N 1.106 122.287 121.223 -0.071 0.000 2.079 117 L HA -0.250 4.091 4.340 0.001 0.000 0.210 117 L C 2.412 179.199 176.870 -0.139 0.000 1.081 117 L CA 1.951 56.739 54.840 -0.086 0.000 0.752 117 L CB -0.616 41.411 42.059 -0.052 0.000 0.896 117 L HN 0.250 nan 8.230 nan 0.000 0.433 118 E N -0.549 119.574 120.200 -0.128 0.000 2.077 118 E HA -0.233 4.117 4.350 0.001 0.000 0.193 118 E C 2.199 178.613 176.600 -0.311 0.000 0.989 118 E CA 1.552 57.845 56.400 -0.178 0.000 0.800 118 E CB -0.240 29.430 29.700 -0.049 0.000 0.746 118 E HN 0.622 nan 8.360 nan 0.000 0.452 119 L N 0.586 121.680 121.223 -0.215 0.000 2.131 119 L HA -0.160 4.180 4.340 0.001 0.000 0.210 119 L C 2.162 178.899 176.870 -0.221 0.000 1.092 119 L CA 1.285 56.023 54.840 -0.170 0.000 0.759 119 L CB -0.285 41.618 42.059 -0.259 0.000 0.903 119 L HN 0.183 nan 8.230 nan 0.000 0.435 120 D N -0.739 119.524 120.400 -0.229 0.000 2.310 120 D HA -0.168 4.473 4.640 0.001 0.000 0.212 120 D C 2.125 178.294 176.300 -0.219 0.000 0.965 120 D CA 0.558 54.450 54.000 -0.180 0.000 0.879 120 D CB 0.234 40.951 40.800 -0.138 0.000 0.921 120 D HN 0.168 nan 8.370 nan 0.000 0.510 121 Q N -0.872 118.678 119.800 -0.416 0.000 2.436 121 Q HA -0.040 4.301 4.340 0.001 0.000 0.209 121 Q C 0.788 176.567 176.000 -0.369 0.000 0.965 121 Q CA 0.636 56.156 55.803 -0.472 0.000 0.910 121 Q CB -0.045 28.284 28.738 -0.681 0.000 0.980 121 Q HN 0.535 nan 8.270 nan 0.000 0.491 122 F N -0.283 119.699 119.950 0.052 0.000 2.661 122 F HA 0.255 4.783 4.527 0.001 0.000 0.306 122 F C 0.812 176.665 175.800 0.088 0.000 1.094 122 F CA -0.636 57.441 58.000 0.129 0.000 1.254 122 F CB 0.697 39.810 39.000 0.190 0.000 1.040 122 F HN -0.231 nan 8.300 nan 0.000 0.562 123 K N 1.246 121.713 120.400 0.111 0.000 2.270 123 K HA 0.470 4.791 4.320 0.001 0.000 0.276 123 K C 0.793 177.430 176.600 0.061 0.000 1.023 123 K CA 0.664 56.977 56.287 0.043 0.000 0.955 123 K CB 0.593 33.077 32.500 -0.028 0.000 0.975 123 K HN 0.265 nan 8.250 nan 0.000 0.471 124 G N 1.921 110.753 108.800 0.053 0.000 2.697 124 G HA2 -0.351 3.609 3.960 0.001 0.000 0.240 124 G HA3 -0.351 3.609 3.960 0.001 0.000 0.240 124 G C 0.436 175.381 174.900 0.074 0.000 1.346 124 G CA 0.433 45.562 45.100 0.048 0.000 0.887 124 G HN 0.740 nan 8.290 nan 0.000 0.569 125 Q N -1.032 118.796 119.800 0.047 0.000 2.167 125 Q HA -0.081 4.260 4.340 0.001 0.000 0.202 125 Q C 2.604 178.626 176.000 0.037 0.000 0.970 125 Q CA 2.303 58.130 55.803 0.041 0.000 0.855 125 Q CB -0.122 28.629 28.738 0.021 0.000 0.911 125 Q HN 0.645 nan 8.270 nan 0.000 0.438 126 Q N -0.691 119.129 119.800 0.033 0.000 2.172 126 Q HA -0.004 4.337 4.340 0.001 0.000 0.200 126 Q C 1.925 177.962 176.000 0.062 0.000 0.964 126 Q CA 1.378 57.198 55.803 0.029 0.000 0.855 126 Q CB -0.377 28.369 28.738 0.014 0.000 0.918 126 Q HN 0.522 nan 8.270 nan 0.000 0.444 127 G N 0.386 109.245 108.800 0.099 0.000 2.418 127 G HA2 -0.341 3.620 3.960 0.001 0.000 0.217 127 G HA3 -0.341 3.620 3.960 0.001 0.000 0.217 127 G C 1.305 176.366 174.900 0.268 0.000 1.158 127 G CA 0.730 45.949 45.100 0.198 0.000 0.771 127 G HN 0.345 nan 8.290 nan 0.000 0.545 128 Q N -0.061 119.848 119.800 0.182 0.000 2.112 128 Q HA -0.229 4.111 4.340 0.001 0.000 0.206 128 Q C 2.476 178.449 176.000 -0.045 0.000 0.987 128 Q CA 1.997 57.843 55.803 0.071 0.000 0.858 128 Q CB -0.113 28.646 28.738 0.034 0.000 0.905 128 Q HN 0.382 nan 8.270 nan 0.000 0.420 129 K N 0.356 120.745 120.400 -0.017 0.000 2.057 129 K HA -0.088 4.233 4.320 0.001 0.000 0.206 129 K C 1.957 178.554 176.600 -0.006 0.000 1.050 129 K CA 1.363 57.620 56.287 -0.050 0.000 0.935 129 K CB 0.003 32.485 32.500 -0.029 0.000 0.715 129 K HN 0.159 nan 8.250 nan 0.000 0.439 130 R N -1.083 119.469 120.500 0.087 0.000 2.115 130 R HA -0.078 4.263 4.340 0.001 0.000 0.230 130 R C 2.223 178.634 176.300 0.184 0.000 1.111 130 R CA 1.367 57.548 56.100 0.135 0.000 0.976 130 R CB -0.376 30.028 30.300 0.174 0.000 0.870 130 R HN 0.241 nan 8.270 nan 0.000 0.445 131 F N 2.089 122.071 119.950 0.053 0.000 2.098 131 F HA -0.152 4.376 4.527 0.001 0.000 0.294 131 F C 2.258 177.837 175.800 -0.368 0.000 1.107 131 F CA 1.453 59.269 58.000 -0.307 0.000 1.234 131 F CB -0.042 38.647 39.000 -0.519 0.000 1.002 131 F HN -0.097 nan 8.300 nan 0.000 0.472 132 Q N -0.203 119.471 119.800 -0.209 0.000 2.170 132 Q HA -0.196 4.144 4.340 0.001 0.000 0.203 132 Q C 1.450 177.313 176.000 -0.229 0.000 0.976 132 Q CA 1.573 57.207 55.803 -0.282 0.000 0.858 132 Q CB -0.242 28.268 28.738 -0.380 0.000 0.907 132 Q HN 0.452 nan 8.270 nan 0.000 0.433 133 D N -0.064 120.229 120.400 -0.178 0.000 2.289 133 D HA -0.053 4.587 4.640 0.001 0.000 0.207 133 D C 1.577 177.781 176.300 -0.160 0.000 0.966 133 D CA 0.660 54.581 54.000 -0.131 0.000 0.868 133 D CB 0.067 40.821 40.800 -0.076 0.000 0.943 133 D HN 0.226 nan 8.370 nan 0.000 0.514 134 M N -0.936 118.522 119.600 -0.238 0.000 2.435 134 M HA 0.096 4.576 4.480 0.001 0.000 0.265 134 M C 1.159 177.205 176.300 -0.423 0.000 1.104 134 M CA 0.950 56.093 55.300 -0.260 0.000 1.140 134 M CB 0.366 32.840 32.600 -0.210 0.000 1.372 134 M HN -0.126 nan 8.290 nan 0.000 0.456 135 M N -0.897 118.328 119.600 -0.626 0.000 2.139 135 M HA 0.290 4.770 4.480 0.001 0.000 0.343 135 M C 0.598 176.663 176.300 -0.392 0.000 0.886 135 M CA 0.368 55.277 55.300 -0.652 0.000 1.134 135 M CB 1.640 33.519 32.600 -1.201 0.000 2.064 135 M HN 0.342 nan 8.290 nan 0.000 0.699 136 G N 1.829 110.428 108.800 -0.335 0.000 2.829 136 G HA2 -0.139 3.821 3.960 0.001 0.000 0.628 136 G HA3 -0.139 3.821 3.960 0.001 0.000 0.628 136 G C -0.958 173.930 174.900 -0.020 0.000 1.412 136 G CA -0.206 44.816 45.100 -0.129 0.000 0.864 136 G HN 0.703 nan 8.290 nan 0.000 0.544 137 H N -1.971 117.025 119.070 -0.123 0.000 2.932 137 H HA 0.561 5.118 4.556 0.001 0.000 0.307 137 H C 0.888 176.224 175.328 0.014 0.000 1.391 137 H CA 0.088 56.121 56.048 -0.024 0.000 1.130 137 H CB 1.171 30.825 29.762 -0.181 0.000 1.836 137 H HN 2.653 nan 8.280 nan 0.000 0.522 138 G N 0.565 109.381 108.800 0.026 0.000 2.225 138 G HA2 -0.281 3.680 3.960 0.001 0.000 0.267 138 G HA3 -0.281 3.680 3.960 0.001 0.000 0.267 138 G C -0.201 174.710 174.900 0.019 0.000 1.024 138 G CA 0.731 45.828 45.100 -0.005 0.000 0.784 138 G HN 0.722 nan 8.290 nan 0.000 0.507 139 S N -0.667 115.091 115.700 0.096 0.000 2.707 139 S HA 0.506 4.977 4.470 0.001 0.000 0.276 139 S C 0.427 175.166 174.600 0.231 0.000 1.179 139 S CA -0.640 57.631 58.200 0.118 0.000 0.992 139 S CB 1.238 64.510 63.200 0.119 0.000 1.030 139 S HN 0.370 nan 8.310 nan 0.000 0.554 140 D N -0.002 120.497 120.400 0.166 0.000 2.398 140 D HA 0.466 5.106 4.640 0.001 0.000 0.247 140 D C -0.873 175.593 176.300 0.278 0.000 1.227 140 D CA 0.297 54.370 54.000 0.120 0.000 0.980 140 D CB 0.772 41.586 40.800 0.022 0.000 1.106 140 D HN 0.549 nan 8.370 nan 0.000 0.493 141 Y N -3.130 117.278 120.300 0.180 0.000 2.774 141 Y HA 0.362 4.912 4.550 0.001 0.000 0.346 141 Y C -1.575 174.439 175.900 0.191 0.000 1.222 141 Y CA -1.240 56.981 58.100 0.202 0.000 1.088 141 Y CB 0.542 39.199 38.460 0.328 0.000 1.354 141 Y HN 0.150 nan 8.280 nan 0.000 0.455 142 S N 1.263 117.138 115.700 0.292 0.000 2.789 142 S HA 0.373 4.844 4.470 0.001 0.000 0.286 142 S C 0.123 174.879 174.600 0.261 0.000 1.153 142 S CA -0.846 57.424 58.200 0.117 0.000 1.084 142 S CB 1.041 64.157 63.200 -0.139 0.000 1.036 142 S HN 0.957 nan 8.310 nan 0.000 0.484 143 L N 1.986 123.511 121.223 0.503 0.000 2.123 143 L HA -0.230 4.111 4.340 0.001 0.000 0.217 143 L C 2.917 179.891 176.870 0.174 0.000 1.081 143 L CA 2.043 57.056 54.840 0.287 0.000 0.772 143 L CB -0.613 41.666 42.059 0.367 0.000 0.890 143 L HN 0.877 nan 8.230 nan 0.000 0.437 144 S N -0.403 115.397 115.700 0.167 0.000 2.353 144 S HA -0.241 4.230 4.470 0.001 0.000 0.222 144 S C 1.779 176.528 174.600 0.248 0.000 1.035 144 S CA 1.776 60.092 58.200 0.194 0.000 1.025 144 S CB -0.116 63.178 63.200 0.157 0.000 0.902 144 S HN 0.473 nan 8.310 nan 0.000 0.440 145 E N -0.077 120.110 120.200 -0.022 0.000 2.110 145 E HA -0.106 4.244 4.350 0.001 0.000 0.193 145 E C 2.131 178.778 176.600 0.079 0.000 0.988 145 E CA 1.416 57.622 56.400 -0.323 0.000 0.804 145 E CB -0.185 29.061 29.700 -0.757 0.000 0.745 145 E HN 0.411 nan 8.360 nan 0.000 0.458 146 V N 1.336 121.308 119.914 0.098 0.000 2.343 146 V HA -0.248 3.872 4.120 0.001 0.000 0.247 146 V C 2.259 178.439 176.094 0.142 0.000 1.051 146 V CA 1.462 63.827 62.300 0.108 0.000 1.036 146 V CB -0.409 31.362 31.823 -0.087 0.000 0.654 146 V HN 0.268 nan 8.190 nan 0.000 0.451 147 L N -2.131 119.173 121.223 0.134 0.000 2.217 147 L HA -0.125 4.216 4.340 0.001 0.000 0.211 147 L C 2.353 179.299 176.870 0.127 0.000 1.107 147 L CA 1.428 56.330 54.840 0.102 0.000 0.783 147 L CB -0.479 41.609 42.059 0.048 0.000 0.919 147 L HN 0.369 nan 8.230 nan 0.000 0.442 148 W N -0.382 120.996 121.300 0.131 0.000 2.379 148 W HA -0.155 4.506 4.660 0.001 0.000 0.307 148 W C 2.478 179.114 176.519 0.195 0.000 1.200 148 W CA 1.103 58.564 57.345 0.193 0.000 1.297 148 W CB -0.583 29.070 29.460 0.323 0.000 1.140 148 W HN -0.196 nan 8.180 nan 0.000 0.507 149 V N -0.630 119.559 119.914 0.459 0.000 2.332 149 V HA -0.363 3.758 4.120 0.001 0.000 0.248 149 V C 2.072 178.260 176.094 0.158 0.000 1.055 149 V CA 1.709 64.191 62.300 0.303 0.000 1.038 149 V CB -1.229 30.767 31.823 0.289 0.000 0.651 149 V HN 0.282 nan 8.190 nan 0.000 0.450 150 C N 0.143 119.513 119.300 0.116 0.000 2.453 150 C HA -0.045 4.416 4.460 0.001 0.000 0.277 150 C C 3.120 178.068 174.990 -0.070 0.000 1.262 150 C CA 0.694 59.702 59.018 -0.017 0.000 1.718 150 C CB -1.333 26.416 27.740 0.014 0.000 2.031 150 C HN 0.628 nan 8.230 nan 0.000 0.480 151 A N 0.762 123.642 122.820 0.100 0.000 1.940 151 A HA -0.252 4.068 4.320 0.001 0.000 0.219 151 A C 2.086 179.785 177.584 0.191 0.000 1.176 151 A CA 2.023 54.199 52.037 0.231 0.000 0.631 151 A CB -0.942 18.106 19.000 0.081 0.000 0.814 151 A HN 0.765 nan 8.150 nan 0.000 0.446 152 N N -0.012 118.772 118.700 0.140 0.000 2.223 152 N HA -0.096 4.644 4.740 0.001 0.000 0.185 152 N C 1.685 177.239 175.510 0.074 0.000 1.016 152 N CA 1.111 54.242 53.050 0.134 0.000 0.863 152 N CB -0.155 38.427 38.487 0.158 0.000 0.983 152 N HN 0.540 nan 8.380 nan 0.000 0.429 153 L N -0.247 120.960 121.223 -0.026 0.000 2.131 153 L HA -0.125 4.216 4.340 0.001 0.000 0.210 153 L C 1.932 178.766 176.870 -0.060 0.000 1.092 153 L CA 0.939 55.726 54.840 -0.089 0.000 0.759 153 L CB -0.504 41.428 42.059 -0.212 0.000 0.903 153 L HN 0.148 nan 8.230 nan 0.000 0.435 154 F N -0.428 119.559 119.950 0.063 0.000 2.186 154 F HA -0.183 4.344 4.527 0.001 0.000 0.299 154 F C 2.677 178.514 175.800 0.062 0.000 1.090 154 F CA 1.049 59.081 58.000 0.055 0.000 1.307 154 F CB -0.231 38.793 39.000 0.040 0.000 1.019 154 F HN -0.014 nan 8.300 nan 0.000 0.489 155 S N -0.560 115.283 115.700 0.238 0.000 2.402 155 S HA -0.152 4.319 4.470 0.001 0.000 0.229 155 S C 1.260 175.935 174.600 0.125 0.000 1.021 155 S CA 1.121 59.416 58.200 0.159 0.000 0.974 155 S CB -0.277 63.001 63.200 0.131 0.000 0.800 155 S HN 0.333 nan 8.310 nan 0.000 0.484 156 D N 1.111 121.580 120.400 0.115 0.000 2.363 156 D HA 0.045 4.685 4.640 0.001 0.000 0.220 156 D C 0.502 176.871 176.300 0.116 0.000 0.994 156 D CA 0.162 54.218 54.000 0.094 0.000 0.890 156 D CB -0.250 40.596 40.800 0.075 0.000 0.906 156 D HN 0.182 nan 8.370 nan 0.000 0.530 157 V N 3.328 123.339 119.914 0.162 0.000 2.450 157 V HA -0.080 4.041 4.120 0.001 0.000 0.281 157 V C 1.599 177.803 176.094 0.183 0.000 1.019 157 V CA 0.050 62.492 62.300 0.237 0.000 1.062 157 V CB 1.006 32.999 31.823 0.282 0.000 0.979 157 V HN 0.126 nan 8.190 nan 0.000 0.477 158 Q N 6.260 126.120 119.800 0.100 0.000 2.230 158 Q HA -0.064 4.277 4.340 0.001 0.000 0.202 158 Q C 0.322 176.260 176.000 -0.104 0.000 0.963 158 Q CA 0.998 56.744 55.803 -0.095 0.000 0.866 158 Q CB -0.271 28.294 28.738 -0.288 0.000 0.931 158 Q HN 0.611 nan 8.270 nan 0.000 0.452 159 F N 2.191 122.165 119.950 0.041 0.000 2.399 159 F HA 0.320 4.848 4.527 0.001 0.000 0.313 159 F C 0.903 176.725 175.800 0.037 0.000 1.202 159 F CA -0.721 57.301 58.000 0.037 0.000 1.192 159 F CB 0.381 39.404 39.000 0.038 0.000 1.256 159 F HN -0.275 nan 8.300 nan 0.000 0.558 160 K N 1.303 121.845 120.400 0.237 0.000 2.174 160 K HA 0.553 4.873 4.320 0.001 0.000 0.275 160 K C -0.645 176.028 176.600 0.122 0.000 1.015 160 K CA -0.329 56.039 56.287 0.134 0.000 0.933 160 K CB 1.052 33.605 32.500 0.089 0.000 1.025 160 K HN 0.536 nan 8.250 nan 0.000 0.463 161 M N 0.400 120.047 119.600 0.079 0.000 2.716 161 M HA 0.276 4.757 4.480 0.001 0.000 0.307 161 M C 0.085 176.385 176.300 0.001 0.000 1.223 161 M CA -0.641 54.688 55.300 0.048 0.000 0.871 161 M CB 2.321 34.958 32.600 0.061 0.000 1.739 161 M HN 0.567 nan 8.290 nan 0.000 0.475 162 S N -1.378 114.311 115.700 -0.017 0.000 3.064 162 S HA 0.275 4.746 4.470 0.001 0.000 0.170 162 S C 0.125 174.648 174.600 -0.127 0.000 0.713 162 S CA -0.360 57.798 58.200 -0.069 0.000 0.891 162 S CB 0.004 63.184 63.200 -0.032 0.000 0.772 162 S HN 0.595 nan 8.310 nan 0.000 0.701 163 H N 2.237 121.254 119.070 -0.088 0.000 2.764 163 H HA 0.355 4.911 4.556 0.001 0.000 0.341 163 H C -0.651 174.576 175.328 -0.168 0.000 1.072 163 H CA 0.645 56.610 56.048 -0.139 0.000 1.444 163 H CB 0.401 30.034 29.762 -0.214 0.000 1.458 163 H HN 0.190 nan 8.280 nan 0.000 0.572 164 K N 3.613 123.948 120.400 -0.108 0.000 2.507 164 K HA 0.321 4.641 4.320 0.001 0.000 0.253 164 K C -0.059 176.409 176.600 -0.221 0.000 0.969 164 K CA -0.430 55.527 56.287 -0.550 0.000 0.908 164 K CB 1.957 33.775 32.500 -1.136 0.000 1.127 164 K HN 0.429 nan 8.250 nan 0.000 0.437 165 R N 4.047 124.577 120.500 0.051 0.000 2.621 165 R HA 0.504 4.844 4.340 0.001 0.000 0.292 165 R C -1.211 175.254 176.300 0.276 0.000 0.969 165 R CA -0.568 55.630 56.100 0.162 0.000 0.887 165 R CB 1.044 31.341 30.300 -0.005 0.000 1.180 165 R HN 0.543 nan 8.270 nan 0.000 0.450 166 I N 4.643 125.347 120.570 0.223 0.000 2.406 166 I HA 0.348 4.518 4.170 0.001 0.000 0.290 166 I C -0.338 175.823 176.117 0.074 0.000 0.999 166 I CA -0.753 60.640 61.300 0.156 0.000 1.124 166 I CB 2.070 40.181 38.000 0.186 0.000 1.289 166 I HN 0.546 nan 8.210 nan 0.000 0.441 167 M N 7.237 126.864 119.600 0.045 0.000 2.072 167 M HA 0.403 4.883 4.480 0.001 0.000 0.331 167 M C -1.465 174.892 176.300 0.094 0.000 1.004 167 M CA -0.884 54.425 55.300 0.016 0.000 0.952 167 M CB 1.335 33.964 32.600 0.048 0.000 1.511 167 M HN 0.446 nan 8.290 nan 0.000 0.422 168 L N 6.152 127.368 121.223 -0.012 0.000 2.264 168 L HA 0.589 4.929 4.340 0.001 0.000 0.289 168 L C -1.843 175.006 176.870 -0.034 0.000 1.044 168 L CA 0.256 55.159 54.840 0.104 0.000 0.807 168 L CB 0.571 42.692 42.059 0.103 0.000 1.192 168 L HN 0.511 nan 8.230 nan 0.000 0.425 169 F N 3.975 123.972 119.950 0.078 0.000 2.388 169 F HA 0.699 5.226 4.527 0.001 0.000 0.358 169 F C 0.517 176.338 175.800 0.034 0.000 1.122 169 F CA -0.423 57.587 58.000 0.017 0.000 1.056 169 F CB 1.697 40.678 39.000 -0.031 0.000 1.155 169 F HN 0.521 nan 8.300 nan 0.000 0.461 170 T N 1.877 116.530 114.554 0.165 0.000 2.886 170 T HA 0.263 4.614 4.350 0.001 0.000 0.330 170 T C -0.478 174.354 174.700 0.220 0.000 1.488 170 T CA -0.826 61.388 62.100 0.190 0.000 1.054 170 T CB 0.991 70.031 68.868 0.286 0.000 1.348 170 T HN 0.625 nan 8.240 nan 0.000 0.489 171 N N 1.928 120.780 118.700 0.253 0.000 2.275 171 N HA 0.195 4.936 4.740 0.001 0.000 0.236 171 N C -0.377 175.352 175.510 0.365 0.000 1.154 171 N CA -0.328 52.921 53.050 0.331 0.000 0.866 171 N CB 0.644 39.236 38.487 0.174 0.000 1.093 171 N HN 0.536 nan 8.380 nan 0.000 0.515 172 E N 1.254 121.684 120.200 0.383 0.000 2.129 172 E HA 0.194 4.545 4.350 0.001 0.000 0.268 172 E C -0.364 176.341 176.600 0.176 0.000 0.900 172 E CA -0.578 55.960 56.400 0.230 0.000 0.755 172 E CB 0.957 30.807 29.700 0.249 0.000 1.117 172 E HN 0.211 nan 8.360 nan 0.000 0.410 173 D N 2.610 122.853 120.400 -0.262 0.000 2.349 173 D HA 0.046 4.687 4.640 0.001 0.000 0.214 173 D C -0.157 176.092 176.300 -0.085 0.000 1.063 173 D CA -0.069 53.613 54.000 -0.531 0.000 0.847 173 D CB 0.106 40.159 40.800 -1.245 0.000 0.933 173 D HN 0.219 nan 8.370 nan 0.000 0.513 174 N N -0.021 118.629 118.700 -0.084 0.000 2.700 174 N HA 0.216 4.956 4.740 0.001 0.000 0.242 174 N C -2.274 173.057 175.510 -0.299 0.000 1.541 174 N CA -1.281 51.648 53.050 -0.200 0.000 0.764 174 N CB 1.203 39.608 38.487 -0.138 0.000 1.319 174 N HN -0.251 nan 8.380 nan 0.000 0.518 175 P HA -0.128 nan 4.420 nan 0.000 0.216 175 P C -0.268 176.610 177.300 -0.703 0.000 1.157 175 P CA 1.697 64.492 63.100 -0.508 0.000 0.880 175 P CB 0.086 31.406 31.700 -0.632 0.000 0.791 176 H N -2.801 115.999 119.070 -0.451 0.000 2.505 176 H HA 0.373 4.930 4.556 0.001 0.000 0.260 176 H C 1.532 176.699 175.328 -0.269 0.000 1.168 176 H CA -0.276 55.573 56.048 -0.332 0.000 0.945 176 H CB -0.121 29.452 29.762 -0.315 0.000 1.800 176 H HN 0.044 nan 8.280 nan 0.000 0.586 177 G N 0.737 109.434 108.800 -0.171 0.000 2.625 177 G HA2 -0.257 3.703 3.960 0.001 0.000 0.214 177 G HA3 -0.257 3.703 3.960 0.001 0.000 0.214 177 G C 1.060 175.925 174.900 -0.059 0.000 1.132 177 G CA 0.912 45.946 45.100 -0.109 0.000 0.782 177 G HN 0.603 nan 8.290 nan 0.000 0.538 178 N N -1.714 116.957 118.700 -0.050 0.000 2.171 178 N HA 0.117 4.857 4.740 0.001 0.000 0.212 178 N C -0.346 175.143 175.510 -0.036 0.000 1.184 178 N CA -0.170 52.858 53.050 -0.037 0.000 0.888 178 N CB 0.745 39.211 38.487 -0.035 0.000 1.038 178 N HN -0.039 nan 8.380 nan 0.000 0.517 179 D N 0.591 120.969 120.400 -0.037 0.000 2.381 179 D HA 0.054 4.694 4.640 0.001 0.000 0.245 179 D C 0.596 176.858 176.300 -0.064 0.000 1.297 179 D CA -0.259 53.704 54.000 -0.062 0.000 0.931 179 D CB 1.100 41.838 40.800 -0.104 0.000 1.334 179 D HN 0.157 nan 8.370 nan 0.000 0.535 180 S N 1.794 117.469 115.700 -0.042 0.000 2.383 180 S HA -0.214 4.257 4.470 0.001 0.000 0.229 180 S C 2.091 176.669 174.600 -0.038 0.000 1.030 180 S CA 1.179 59.364 58.200 -0.025 0.000 1.002 180 S CB -0.162 63.030 63.200 -0.013 0.000 0.829 180 S HN 0.375 nan 8.310 nan 0.000 0.467 181 A N 1.873 124.657 122.820 -0.059 0.000 1.978 181 A HA -0.082 4.238 4.320 0.001 0.000 0.220 181 A C 2.292 179.814 177.584 -0.104 0.000 1.170 181 A CA 1.647 53.643 52.037 -0.067 0.000 0.636 181 A CB -0.470 18.487 19.000 -0.072 0.000 0.810 181 A HN 0.660 nan 8.150 nan 0.000 0.448 182 K N -0.918 119.369 120.400 -0.189 0.000 2.128 182 K HA 0.200 4.520 4.320 0.001 0.000 0.202 182 K C 2.396 178.896 176.600 -0.166 0.000 1.050 182 K CA 0.717 56.799 56.287 -0.342 0.000 0.966 182 K CB -0.227 31.758 32.500 -0.859 0.000 0.759 182 K HN 0.369 nan 8.250 nan 0.000 0.454 183 A N 1.942 124.732 122.820 -0.049 0.000 1.908 183 A HA -0.229 4.092 4.320 0.001 0.000 0.218 183 A C 2.254 179.945 177.584 0.178 0.000 1.181 183 A CA 2.468 54.584 52.037 0.133 0.000 0.627 183 A CB -0.813 18.233 19.000 0.076 0.000 0.818 183 A HN 0.406 nan 8.150 nan 0.000 0.445 184 S N -0.198 115.550 115.700 0.080 0.000 2.368 184 S HA -0.185 4.286 4.470 0.001 0.000 0.224 184 S C 2.015 176.657 174.600 0.070 0.000 1.029 184 S CA 1.234 59.475 58.200 0.069 0.000 0.988 184 S CB -0.481 62.739 63.200 0.033 0.000 0.838 184 S HN 0.606 nan 8.310 nan 0.000 0.462 185 R N 1.453 121.985 120.500 0.052 0.000 2.096 185 R HA 0.107 4.448 4.340 0.001 0.000 0.235 185 R C 2.735 179.103 176.300 0.113 0.000 1.127 185 R CA 1.203 57.346 56.100 0.072 0.000 0.968 185 R CB -0.731 29.589 30.300 0.034 0.000 0.861 185 R HN 0.586 nan 8.270 nan 0.000 0.440 186 A N 1.195 124.103 122.820 0.147 0.000 1.930 186 A HA -0.154 4.167 4.320 0.001 0.000 0.217 186 A C 2.039 179.693 177.584 0.117 0.000 1.175 186 A CA 1.104 53.261 52.037 0.199 0.000 0.627 186 A CB -0.291 18.945 19.000 0.393 0.000 0.815 186 A HN 0.210 nan 8.150 nan 0.000 0.443 187 R N -0.885 119.671 120.500 0.094 0.000 2.066 187 R HA -0.081 4.260 4.340 0.001 0.000 0.232 187 R C 2.293 178.587 176.300 -0.010 0.000 1.131 187 R CA 1.796 57.890 56.100 -0.011 0.000 0.955 187 R CB -0.882 29.414 30.300 -0.006 0.000 0.851 187 R HN 0.522 nan 8.270 nan 0.000 0.432 188 T N 1.362 115.931 114.554 0.026 0.000 2.652 188 T HA -0.184 4.167 4.350 0.001 0.000 0.267 188 T C 1.763 176.465 174.700 0.004 0.000 1.039 188 T CA 1.658 63.772 62.100 0.022 0.000 1.153 188 T CB -0.174 68.727 68.868 0.056 0.000 0.863 188 T HN 0.082 nan 8.240 nan 0.000 0.428 189 K N 1.829 122.246 120.400 0.029 0.000 2.103 189 K HA 0.064 4.384 4.320 0.001 0.000 0.207 189 K C 2.230 178.780 176.600 -0.083 0.000 1.048 189 K CA 1.490 57.751 56.287 -0.044 0.000 0.930 189 K CB -0.871 31.633 32.500 0.006 0.000 0.716 189 K HN 0.280 nan 8.250 nan 0.000 0.444 190 A N -0.074 122.718 122.820 -0.046 0.000 1.902 190 A HA -0.039 4.282 4.320 0.001 0.000 0.217 190 A C 2.439 179.971 177.584 -0.086 0.000 1.181 190 A CA 1.931 53.930 52.037 -0.064 0.000 0.623 190 A CB -1.343 17.610 19.000 -0.079 0.000 0.818 190 A HN 0.476 nan 8.150 nan 0.000 0.443 191 G N -0.640 108.112 108.800 -0.079 0.000 2.408 191 G HA2 -0.250 3.710 3.960 0.001 0.000 0.217 191 G HA3 -0.250 3.710 3.960 0.001 0.000 0.217 191 G C 1.250 176.092 174.900 -0.096 0.000 1.150 191 G CA 1.346 46.395 45.100 -0.084 0.000 0.776 191 G HN 0.559 nan 8.290 nan 0.000 0.542 192 D N -0.115 120.224 120.400 -0.101 0.000 2.178 192 D HA -0.013 4.628 4.640 0.001 0.000 0.202 192 D C 2.560 178.770 176.300 -0.151 0.000 0.974 192 D CA 0.392 54.318 54.000 -0.124 0.000 0.841 192 D CB -0.082 40.626 40.800 -0.154 0.000 0.953 192 D HN 0.307 nan 8.370 nan 0.000 0.478 193 L N -0.103 121.027 121.223 -0.154 0.000 2.017 193 L HA -0.116 4.225 4.340 0.001 0.000 0.208 193 L C 2.670 179.430 176.870 -0.183 0.000 1.073 193 L CA 1.069 55.819 54.840 -0.150 0.000 0.745 193 L CB -0.395 41.600 42.059 -0.107 0.000 0.894 193 L HN 0.023 nan 8.230 nan 0.000 0.432 194 R N 0.030 120.418 120.500 -0.187 0.000 2.091 194 R HA -0.171 4.169 4.340 0.001 0.000 0.238 194 R C 1.855 178.022 176.300 -0.221 0.000 1.136 194 R CA 1.658 57.612 56.100 -0.242 0.000 0.959 194 R CB -0.404 29.782 30.300 -0.190 0.000 0.856 194 R HN 0.438 nan 8.270 nan 0.000 0.437 195 D N -0.596 119.709 120.400 -0.159 0.000 2.183 195 D HA -0.078 4.562 4.640 0.001 0.000 0.203 195 D C 1.447 177.669 176.300 -0.130 0.000 0.969 195 D CA 1.190 55.113 54.000 -0.128 0.000 0.842 195 D CB -0.145 40.598 40.800 -0.094 0.000 0.957 195 D HN 0.100 nan 8.370 nan 0.000 0.484 196 T N -0.864 113.604 114.554 -0.143 0.000 3.148 196 T HA 0.234 4.584 4.350 0.001 0.000 0.253 196 T C 1.346 175.956 174.700 -0.150 0.000 1.134 196 T CA 0.879 62.902 62.100 -0.129 0.000 1.051 196 T CB 0.207 69.000 68.868 -0.125 0.000 0.959 196 T HN 0.363 nan 8.240 nan 0.000 0.525 197 G N 1.285 109.961 108.800 -0.207 0.000 2.157 197 G HA2 -0.197 3.764 3.960 0.001 0.000 0.239 197 G HA3 -0.197 3.764 3.960 0.001 0.000 0.239 197 G C 0.099 174.856 174.900 -0.238 0.000 0.982 197 G CA -0.315 44.650 45.100 -0.225 0.000 0.650 197 G HN 0.548 nan 8.290 nan 0.000 0.527 198 I N 0.955 121.370 120.570 -0.257 0.000 2.353 198 I HA 0.540 4.711 4.170 0.001 0.000 0.293 198 I C 0.017 176.029 176.117 -0.175 0.000 0.992 198 I CA -0.919 60.277 61.300 -0.172 0.000 1.268 198 I CB 0.776 38.696 38.000 -0.134 0.000 1.387 198 I HN -0.067 nan 8.210 nan 0.000 0.478 199 F N 6.286 126.191 119.950 -0.075 0.000 2.421 199 F HA 0.496 5.024 4.527 0.001 0.000 0.337 199 F C -0.052 175.744 175.800 -0.006 0.000 1.105 199 F CA -0.701 57.279 58.000 -0.033 0.000 1.049 199 F CB 1.223 40.207 39.000 -0.026 0.000 1.139 199 F HN 0.252 nan 8.300 nan 0.000 0.479 200 L N 4.353 125.660 121.223 0.141 0.000 2.316 200 L HA 0.491 4.832 4.340 0.001 0.000 0.280 200 L C -1.179 175.738 176.870 0.079 0.000 1.006 200 L CA -0.393 54.511 54.840 0.106 0.000 0.836 200 L CB 0.565 42.673 42.059 0.081 0.000 1.221 200 L HN 0.518 nan 8.230 nan 0.000 0.418 201 D N 4.957 125.387 120.400 0.049 0.000 2.168 201 D HA 0.300 4.941 4.640 0.001 0.000 0.246 201 D C -0.769 175.504 176.300 -0.044 0.000 1.050 201 D CA -0.305 53.695 54.000 -0.001 0.000 0.857 201 D CB 2.912 43.694 40.800 -0.030 0.000 1.169 201 D HN 0.281 nan 8.370 nan 0.000 0.453 202 L N 2.793 123.989 121.223 -0.045 0.000 2.272 202 L HA 0.299 4.639 4.340 0.001 0.000 0.289 202 L C -0.565 176.231 176.870 -0.124 0.000 1.032 202 L CA -0.212 54.537 54.840 -0.151 0.000 0.810 202 L CB 0.958 42.858 42.059 -0.265 0.000 1.205 202 L HN 0.233 nan 8.230 nan 0.000 0.422 203 M N 5.987 125.440 119.600 -0.245 0.000 3.145 203 M HA 0.244 4.725 4.480 0.001 0.000 0.254 203 M C -0.615 175.583 176.300 -0.171 0.000 1.264 203 M CA -0.490 54.670 55.300 -0.233 0.000 1.293 203 M CB -0.526 31.650 32.600 -0.706 0.000 1.170 203 M HN 0.594 nan 8.290 nan 0.000 0.572 204 H N 1.400 120.183 119.070 -0.478 0.000 2.803 204 H HA 0.503 5.059 4.556 0.001 0.000 0.330 204 H C -0.711 174.341 175.328 -0.460 0.000 1.057 204 H CA -0.320 55.247 56.048 -0.801 0.000 1.458 204 H CB 0.439 29.053 29.762 -1.913 0.000 1.470 204 H HN 0.476 nan 8.280 nan 0.000 0.560 205 L N 1.947 123.023 121.223 -0.244 0.000 2.358 205 L HA 0.350 4.691 4.340 0.001 0.000 0.268 205 L C 0.925 177.781 176.870 -0.024 0.000 1.032 205 L CA -1.241 53.526 54.840 -0.123 0.000 0.805 205 L CB 1.143 43.192 42.059 -0.017 0.000 1.253 205 L HN 0.562 nan 8.230 nan 0.000 0.452 206 K N 2.163 122.549 120.400 -0.023 0.000 2.469 206 K HA 0.080 4.400 4.320 0.001 0.000 0.274 206 K C -0.656 176.004 176.600 0.101 0.000 0.983 206 K CA 0.340 56.649 56.287 0.037 0.000 0.974 206 K CB 0.517 33.020 32.500 0.005 0.000 0.913 206 K HN 0.521 nan 8.250 nan 0.000 0.493 207 K N 4.988 125.462 120.400 0.123 0.000 2.523 207 K HA 0.338 4.659 4.320 0.001 0.000 0.257 207 K C -2.775 173.871 176.600 0.077 0.000 0.932 207 K CA -1.936 54.419 56.287 0.113 0.000 0.812 207 K CB 1.886 34.480 32.500 0.157 0.000 1.326 207 K HN 0.384 nan 8.250 nan 0.000 0.433 208 P HA -0.013 nan 4.420 nan 0.000 0.261 208 P C 0.543 177.866 177.300 0.038 0.000 1.183 208 P CA 1.381 64.506 63.100 0.041 0.000 0.761 208 P CB 0.437 32.157 31.700 0.033 0.000 0.785 209 G N 1.989 110.811 108.800 0.036 0.000 2.217 209 G HA2 0.023 3.984 3.960 0.001 0.000 0.246 209 G HA3 0.023 3.984 3.960 0.001 0.000 0.246 209 G C 0.431 175.360 174.900 0.048 0.000 0.990 209 G CA 0.234 45.354 45.100 0.034 0.000 0.627 209 G HN 1.125 nan 8.290 nan 0.000 0.522 210 G N -1.329 107.512 108.800 0.068 0.000 2.619 210 G HA2 0.321 4.282 3.960 0.001 0.000 0.686 210 G HA3 0.321 4.282 3.960 0.001 0.000 0.686 210 G C -0.506 174.486 174.900 0.154 0.000 1.256 210 G CA -0.011 45.153 45.100 0.107 0.000 0.826 210 G HN 1.673 nan 8.290 nan 0.000 0.619 211 F N 1.553 121.542 119.950 0.065 0.000 2.391 211 F HA 0.551 5.079 4.527 0.001 0.000 0.359 211 F C 0.001 175.874 175.800 0.121 0.000 1.122 211 F CA -0.707 57.358 58.000 0.109 0.000 1.120 211 F CB 1.360 40.448 39.000 0.147 0.000 1.142 211 F HN 0.443 nan 8.300 nan 0.000 0.483 212 D N 7.021 127.401 120.400 -0.033 0.000 2.412 212 D HA 0.200 4.840 4.640 0.001 0.000 0.224 212 D C 1.033 177.367 176.300 0.057 0.000 1.093 212 D CA -0.046 53.983 54.000 0.049 0.000 0.850 212 D CB 0.803 41.597 40.800 -0.010 0.000 1.046 212 D HN 0.652 nan 8.370 nan 0.000 0.507 213 I N 2.081 122.777 120.570 0.210 0.000 2.617 213 I HA -0.198 3.973 4.170 0.001 0.000 0.256 213 I C 2.252 178.432 176.117 0.105 0.000 1.167 213 I CA 0.493 61.915 61.300 0.203 0.000 1.469 213 I CB -0.019 37.996 38.000 0.025 0.000 1.098 213 I HN 0.346 nan 8.210 nan 0.000 0.436 214 S N 1.232 116.971 115.700 0.064 0.000 2.447 214 S HA -0.095 4.376 4.470 0.001 0.000 0.233 214 S C 1.934 176.561 174.600 0.045 0.000 1.006 214 S CA 0.694 58.918 58.200 0.040 0.000 0.957 214 S CB -0.633 62.585 63.200 0.031 0.000 0.773 214 S HN 0.421 nan 8.310 nan 0.000 0.507 215 L N -1.441 119.816 121.223 0.057 0.000 2.046 215 L HA 0.061 4.401 4.340 0.001 0.000 0.208 215 L C 2.366 179.325 176.870 0.148 0.000 1.077 215 L CA 1.940 56.820 54.840 0.068 0.000 0.747 215 L CB -0.293 41.784 42.059 0.030 0.000 0.896 215 L HN 0.481 nan 8.230 nan 0.000 0.432 216 F N -2.784 117.131 119.950 -0.058 0.000 2.072 216 F HA 0.087 4.614 4.527 0.001 0.000 0.284 216 F C 1.750 177.446 175.800 -0.173 0.000 0.941 216 F CA -0.377 57.537 58.000 -0.144 0.000 1.151 216 F CB -0.164 38.684 39.000 -0.253 0.000 1.308 216 F HN -0.231 nan 8.300 nan 0.000 0.677 217 Y N 1.328 121.573 120.300 -0.092 0.000 2.574 217 Y HA -0.026 4.525 4.550 0.001 0.000 0.294 217 Y C 2.565 178.354 175.900 -0.185 0.000 1.142 217 Y CA 1.392 59.378 58.100 -0.191 0.000 1.314 217 Y CB -0.397 38.090 38.460 0.045 0.000 0.991 217 Y HN 0.064 nan 8.280 nan 0.000 0.555 218 R N 0.564 121.045 120.500 -0.032 0.000 2.127 218 R HA -0.167 4.174 4.340 0.001 0.000 0.238 218 R C 0.329 176.575 176.300 -0.090 0.000 1.134 218 R CA 1.741 57.815 56.100 -0.044 0.000 0.975 218 R CB -0.120 30.162 30.300 -0.030 0.000 0.865 218 R HN 0.298 nan 8.270 nan 0.000 0.447 219 D N -0.569 119.723 120.400 -0.181 0.000 2.395 219 D HA 0.104 4.744 4.640 0.001 0.000 0.226 219 D C 1.054 177.214 176.300 -0.233 0.000 1.146 219 D CA 0.259 54.144 54.000 -0.191 0.000 0.830 219 D CB 0.520 41.198 40.800 -0.204 0.000 0.958 219 D HN 0.369 nan 8.370 nan 0.000 0.501 220 I N -0.078 120.371 120.570 -0.202 0.000 3.990 220 I HA 0.080 4.251 4.170 0.001 0.000 0.275 220 I C 1.106 177.205 176.117 -0.030 0.000 1.157 220 I CA -0.164 61.047 61.300 -0.150 0.000 1.338 220 I CB 0.470 38.341 38.000 -0.215 0.000 1.588 220 I HN -0.117 nan 8.210 nan 0.000 0.441 221 I N 0.442 121.031 120.570 0.031 0.000 2.948 221 I HA 0.096 4.266 4.170 0.001 0.000 0.290 221 I C 0.155 176.275 176.117 0.005 0.000 1.226 221 I CA 0.400 61.728 61.300 0.046 0.000 1.413 221 I CB 0.456 38.499 38.000 0.072 0.000 1.352 221 I HN -0.001 nan 8.210 nan 0.000 0.597 232 H N 2.769 121.788 119.070 -0.085 0.000 2.607 232 H HA 0.576 5.133 4.556 0.001 0.000 0.367 232 H C -0.664 174.657 175.328 -0.013 0.000 1.181 232 H CA -0.216 55.747 56.048 -0.142 0.000 1.402 232 H CB 1.214 30.916 29.762 -0.099 0.000 1.474 232 H HN 0.616 nan 8.280 nan 0.000 0.596 233 F N 1.774 121.747 119.950 0.039 0.000 2.545 233 F HA -0.018 4.510 4.527 0.001 0.000 0.348 233 F C 1.486 177.492 175.800 0.343 0.000 1.163 233 F CA 0.169 58.251 58.000 0.137 0.000 1.331 233 F CB 0.189 39.213 39.000 0.040 0.000 1.138 233 F HN 0.442 nan 8.300 nan 0.000 0.602 234 E N 0.992 121.397 120.200 0.342 0.000 2.376 234 E HA 0.080 4.431 4.350 0.001 0.000 0.254 234 E C -0.120 176.397 176.600 -0.138 0.000 1.213 234 E CA -0.453 56.043 56.400 0.160 0.000 0.945 234 E CB 0.428 30.166 29.700 0.064 0.000 1.057 234 E HN 0.624 nan 8.360 nan 0.000 0.479 235 E N -0.165 119.819 120.200 -0.359 0.000 2.404 235 E HA 0.187 4.538 4.350 0.001 0.000 0.261 235 E C -0.656 175.716 176.600 -0.379 0.000 1.074 235 E CA -0.132 55.831 56.400 -0.729 0.000 0.917 235 E CB 0.491 29.971 29.700 -0.368 0.000 0.965 235 E HN 0.032 nan 8.360 nan 0.000 0.433 236 S N 0.878 116.361 115.700 -0.361 0.000 2.508 236 S HA 0.213 4.683 4.470 0.001 0.000 0.284 236 S C 0.370 174.887 174.600 -0.139 0.000 1.192 236 S CA -0.285 57.791 58.200 -0.207 0.000 1.070 236 S CB 1.402 64.493 63.200 -0.182 0.000 1.004 236 S HN 0.661 nan 8.310 nan 0.000 0.493 237 S N 1.701 117.340 115.700 -0.101 0.000 2.687 237 S HA 0.329 4.800 4.470 0.001 0.000 0.247 237 S C -0.121 174.444 174.600 -0.058 0.000 1.050 237 S CA -0.473 57.687 58.200 -0.066 0.000 1.063 237 S CB 0.115 63.285 63.200 -0.051 0.000 1.039 237 S HN 0.559 nan 8.310 nan 0.000 0.580 238 K N 0.695 121.053 120.400 -0.070 0.000 2.422 238 K HA 0.480 4.800 4.320 0.001 0.000 0.251 238 K C 0.038 176.594 176.600 -0.074 0.000 0.933 238 K CA -0.782 55.466 56.287 -0.065 0.000 0.798 238 K CB 2.095 34.556 32.500 -0.065 0.000 1.238 238 K HN -0.000 nan 8.250 nan 0.000 0.428 239 L N 2.672 123.855 121.223 -0.068 0.000 2.021 239 L HA -0.255 4.086 4.340 0.001 0.000 0.215 239 L C 1.716 178.538 176.870 -0.081 0.000 1.074 239 L CA 2.104 56.901 54.840 -0.071 0.000 0.760 239 L CB -0.357 41.660 42.059 -0.070 0.000 0.889 239 L HN 0.757 nan 8.230 nan 0.000 0.433 240 E N -0.432 119.718 120.200 -0.084 0.000 2.086 240 E HA -0.287 4.064 4.350 0.001 0.000 0.205 240 E C 1.871 178.403 176.600 -0.114 0.000 1.027 240 E CA 1.750 58.093 56.400 -0.094 0.000 0.830 240 E CB -0.512 29.133 29.700 -0.090 0.000 0.751 240 E HN 0.628 nan 8.360 nan 0.000 0.456 241 D N 0.685 121.012 120.400 -0.121 0.000 2.097 241 D HA -0.140 4.501 4.640 0.001 0.000 0.195 241 D C 2.100 178.290 176.300 -0.184 0.000 0.989 241 D CA 0.697 54.602 54.000 -0.160 0.000 0.827 241 D CB -0.353 40.356 40.800 -0.151 0.000 0.966 241 D HN 0.048 nan 8.370 nan 0.000 0.456 242 L N 1.037 122.177 121.223 -0.139 0.000 2.079 242 L HA -0.113 4.227 4.340 0.001 0.000 0.210 242 L C 2.226 179.038 176.870 -0.097 0.000 1.081 242 L CA 1.223 55.995 54.840 -0.113 0.000 0.752 242 L CB -0.570 41.463 42.059 -0.043 0.000 0.896 242 L HN 0.027 nan 8.230 nan 0.000 0.433 243 L N -0.955 120.213 121.223 -0.092 0.000 1.994 243 L HA -0.246 4.094 4.340 0.001 0.000 0.208 243 L C 2.821 179.627 176.870 -0.108 0.000 1.071 243 L CA 1.473 56.266 54.840 -0.078 0.000 0.745 243 L CB -0.243 41.768 42.059 -0.080 0.000 0.892 243 L HN 0.260 nan 8.230 nan 0.000 0.431 244 R N -0.248 120.160 120.500 -0.152 0.000 2.081 244 R HA -0.197 4.143 4.340 0.001 0.000 0.235 244 R C 2.272 178.416 176.300 -0.259 0.000 1.131 244 R CA 1.613 57.602 56.100 -0.185 0.000 0.960 244 R CB -0.233 29.945 30.300 -0.202 0.000 0.856 244 R HN 0.361 nan 8.270 nan 0.000 0.436 245 K N 0.093 120.259 120.400 -0.389 0.000 2.097 245 K HA -0.104 4.217 4.320 0.001 0.000 0.206 245 K C 2.034 178.497 176.600 -0.229 0.000 1.049 245 K CA 1.288 57.208 56.287 -0.611 0.000 0.933 245 K CB -0.046 32.010 32.500 -0.740 0.000 0.717 245 K HN 0.010 nan 8.250 nan 0.000 0.442 246 V N 1.060 120.900 119.914 -0.123 0.000 2.407 246 V HA -0.162 3.959 4.120 0.001 0.000 0.245 246 V C 2.153 178.252 176.094 0.009 0.000 1.041 246 V CA 1.412 63.711 62.300 -0.002 0.000 1.040 246 V CB -0.382 31.495 31.823 0.089 0.000 0.671 246 V HN 0.242 nan 8.190 nan 0.000 0.455 247 R N 0.328 120.808 120.500 -0.033 0.000 2.096 247 R HA -0.107 4.234 4.340 0.001 0.000 0.235 247 R C 2.256 178.531 176.300 -0.041 0.000 1.127 247 R CA 1.395 57.475 56.100 -0.033 0.000 0.968 247 R CB -0.532 29.734 30.300 -0.058 0.000 0.861 247 R HN 0.512 nan 8.270 nan 0.000 0.440 248 A N 0.786 123.573 122.820 -0.055 0.000 2.225 248 A HA -0.125 4.195 4.320 0.001 0.000 0.215 248 A C 1.257 178.830 177.584 -0.018 0.000 1.164 248 A CA 1.212 53.231 52.037 -0.029 0.000 0.710 248 A CB 0.030 19.045 19.000 0.025 0.000 0.780 248 A HN 0.244 nan 8.150 nan 0.000 0.473 249 K N -1.191 119.198 120.400 -0.017 0.000 2.554 249 K HA 0.046 4.366 4.320 0.001 0.000 0.211 249 K C 1.101 177.670 176.600 -0.051 0.000 1.226 249 K CA 0.569 56.827 56.287 -0.048 0.000 1.025 249 K CB 0.525 33.008 32.500 -0.029 0.000 1.021 249 K HN 0.697 nan 8.250 nan 0.000 0.600 250 E N 0.861 121.054 120.200 -0.011 0.000 2.274 250 E HA -0.039 4.311 4.350 0.001 0.000 0.194 250 E C -0.210 176.369 176.600 -0.035 0.000 0.996 250 E CA 0.843 57.253 56.400 0.016 0.000 0.840 250 E CB 0.128 29.865 29.700 0.061 0.000 0.772 250 E HN -0.154 nan 8.360 nan 0.000 0.491 251 T N 0.592 115.110 114.554 -0.060 0.000 2.971 251 T HA 0.465 4.816 4.350 0.001 0.000 0.304 251 T C -0.825 173.813 174.700 -0.104 0.000 1.038 251 T CA -0.971 61.086 62.100 -0.072 0.000 1.007 251 T CB 1.882 70.724 68.868 -0.042 0.000 1.055 251 T HN -0.062 nan 8.240 nan 0.000 0.451 252 R N 1.589 122.012 120.500 -0.128 0.000 2.560 252 R HA 0.446 4.787 4.340 0.001 0.000 0.270 252 R C 0.326 176.586 176.300 -0.066 0.000 1.074 252 R CA -0.653 55.350 56.100 -0.162 0.000 1.140 252 R CB 0.236 30.389 30.300 -0.245 0.000 1.073 252 R HN 0.494 nan 8.270 nan 0.000 0.527 253 K N 1.650 122.017 120.400 -0.055 0.000 2.561 253 K HA -0.039 4.282 4.320 0.001 0.000 0.280 253 K C 0.091 176.784 176.600 0.155 0.000 0.975 253 K CA 0.836 57.158 56.287 0.058 0.000 1.024 253 K CB 0.387 32.917 32.500 0.050 0.000 0.883 253 K HN 0.338 nan 8.250 nan 0.000 0.496 254 R N 1.403 122.056 120.500 0.256 0.000 2.713 254 R HA 0.211 4.552 4.340 0.001 0.000 0.282 254 R C -1.217 175.124 176.300 0.069 0.000 1.472 254 R CA -0.278 55.908 56.100 0.144 0.000 1.060 254 R CB 1.116 31.463 30.300 0.078 0.000 1.237 254 R HN 0.789 nan 8.270 nan 0.000 0.484 255 A N 2.875 125.600 122.820 -0.158 0.000 2.520 255 A HA 0.012 4.332 4.320 0.001 0.000 0.235 255 A C 0.766 178.185 177.584 -0.274 0.000 1.065 255 A CA -0.203 51.454 52.037 -0.633 0.000 0.764 255 A CB 0.339 18.979 19.000 -0.599 0.000 1.002 255 A HN 0.735 nan 8.150 nan 0.000 0.502 256 L N 1.625 122.694 121.223 -0.256 0.000 2.446 256 L HA 0.236 4.576 4.340 0.001 0.000 0.219 256 L C 0.688 177.522 176.870 -0.059 0.000 1.116 256 L CA 1.728 56.520 54.840 -0.080 0.000 0.844 256 L CB -0.692 41.365 42.059 -0.003 0.000 0.970 256 L HN 1.197 nan 8.230 nan 0.000 0.457 257 S N -1.223 114.410 115.700 -0.110 0.000 2.714 257 S HA 0.407 4.877 4.470 0.001 0.000 0.297 257 S C -0.848 173.707 174.600 -0.075 0.000 0.993 257 S CA -1.023 57.144 58.200 -0.056 0.000 0.844 257 S CB 0.458 63.665 63.200 0.011 0.000 1.043 257 S HN 0.222 nan 8.310 nan 0.000 0.457 258 R N 1.517 121.990 120.500 -0.045 0.000 2.265 258 R HA 0.737 5.078 4.340 0.001 0.000 0.328 258 R C -0.784 175.516 176.300 -0.001 0.000 0.969 258 R CA -0.510 55.572 56.100 -0.030 0.000 0.832 258 R CB 1.022 31.309 30.300 -0.022 0.000 1.139 258 R HN 0.625 nan 8.270 nan 0.000 0.457 259 L N 1.820 123.051 121.223 0.013 0.000 2.283 259 L HA 0.543 4.883 4.340 0.001 0.000 0.259 259 L C -0.265 176.619 176.870 0.024 0.000 1.027 259 L CA -1.250 53.607 54.840 0.028 0.000 0.828 259 L CB 1.952 44.049 42.059 0.063 0.000 1.380 259 L HN 0.353 nan 8.230 nan 0.000 0.425 260 K N 1.504 121.918 120.400 0.023 0.000 2.172 260 K HA 0.513 4.833 4.320 0.001 0.000 0.276 260 K C -1.039 175.572 176.600 0.017 0.000 1.013 260 K CA -0.366 55.931 56.287 0.018 0.000 0.913 260 K CB 1.845 34.353 32.500 0.013 0.000 1.055 260 K HN 0.354 nan 8.250 nan 0.000 0.461 261 L N 3.899 125.129 121.223 0.012 0.000 2.301 261 L HA 0.279 4.620 4.340 0.001 0.000 0.278 261 L C -1.022 175.843 176.870 -0.008 0.000 1.022 261 L CA -0.614 54.222 54.840 -0.006 0.000 0.854 261 L CB 0.462 42.514 42.059 -0.012 0.000 1.226 261 L HN 0.495 nan 8.230 nan 0.000 0.429 262 K N 5.940 126.333 120.400 -0.012 0.000 2.262 262 K HA 0.258 4.579 4.320 0.001 0.000 0.282 262 K C 0.723 177.313 176.600 -0.018 0.000 1.066 262 K CA -0.430 55.853 56.287 -0.008 0.000 0.901 262 K CB 1.567 34.066 32.500 -0.002 0.000 1.089 262 K HN 0.678 nan 8.250 nan 0.000 0.476 263 L N 1.627 122.846 121.223 -0.006 0.000 2.179 263 L HA -0.076 4.265 4.340 0.001 0.000 0.208 263 L C 0.830 177.703 176.870 0.005 0.000 1.096 263 L CA 0.740 55.579 54.840 -0.001 0.000 0.779 263 L CB -0.758 41.315 42.059 0.024 0.000 0.922 263 L HN 0.807 nan 8.230 nan 0.000 0.443 264 N N -1.773 116.932 118.700 0.007 0.000 3.378 264 N HA 0.067 4.808 4.740 0.001 0.000 0.294 264 N C -0.040 175.475 175.510 0.009 0.000 1.544 264 N CA -0.728 52.328 53.050 0.010 0.000 0.872 264 N CB 0.730 39.227 38.487 0.015 0.000 1.670 264 N HN -0.326 nan 8.380 nan 0.000 0.551 265 K N -0.706 119.700 120.400 0.009 0.000 2.147 265 K HA -0.033 4.288 4.320 0.001 0.000 0.205 265 K C 0.051 176.656 176.600 0.008 0.000 1.049 265 K CA 1.600 57.892 56.287 0.008 0.000 0.936 265 K CB -0.089 32.416 32.500 0.008 0.000 0.722 265 K HN 0.467 nan 8.250 nan 0.000 0.446 266 D N 0.369 120.774 120.400 0.010 0.000 2.277 266 D HA 0.038 4.678 4.640 0.001 0.000 0.209 266 D C 0.663 176.969 176.300 0.011 0.000 0.970 266 D CA 0.593 54.599 54.000 0.010 0.000 0.874 266 D CB 0.384 41.190 40.800 0.010 0.000 0.982 266 D HN 0.135 nan 8.370 nan 0.000 0.504 267 I N 2.229 122.807 120.570 0.013 0.000 2.282 267 I HA 0.144 4.315 4.170 0.001 0.000 0.290 267 I C -0.605 175.521 176.117 0.014 0.000 1.090 267 I CA -0.343 60.966 61.300 0.015 0.000 1.231 267 I CB 1.170 39.181 38.000 0.019 0.000 1.434 267 I HN -0.383 nan 8.210 nan 0.000 0.487 268 V N 7.285 127.207 119.914 0.014 0.000 2.531 268 V HA 0.520 4.641 4.120 0.001 0.000 0.301 268 V C 0.036 176.141 176.094 0.019 0.000 1.034 268 V CA -0.633 61.675 62.300 0.014 0.000 0.865 268 V CB 2.183 34.013 31.823 0.011 0.000 0.995 268 V HN 0.577 nan 8.190 nan 0.000 0.424 269 I N 2.007 122.592 120.570 0.024 0.000 2.910 269 I HA 0.914 5.085 4.170 0.001 0.000 0.310 269 I C 0.051 176.184 176.117 0.027 0.000 1.043 269 I CA -0.496 60.824 61.300 0.033 0.000 1.053 269 I CB 2.598 40.635 38.000 0.062 0.000 1.242 269 I HN 0.603 nan 8.210 nan 0.000 0.452 270 S N 3.504 119.214 115.700 0.018 0.000 2.509 270 S HA 0.811 5.282 4.470 0.001 0.000 0.297 270 S C -0.316 174.283 174.600 -0.002 0.000 1.118 270 S CA -0.539 57.666 58.200 0.009 0.000 1.074 270 S CB 1.542 64.744 63.200 0.004 0.000 1.038 270 S HN 1.003 nan 8.310 nan 0.000 0.498 271 V N -1.002 118.916 119.914 0.007 0.000 3.007 271 V HA 0.991 5.112 4.120 0.001 0.000 0.311 271 V C 0.120 176.225 176.094 0.017 0.000 1.120 271 V CA -0.727 61.574 62.300 0.001 0.000 0.980 271 V CB 1.369 33.216 31.823 0.041 0.000 1.033 271 V HN 1.157 nan 8.190 nan 0.000 0.429 272 G N 2.953 111.795 108.800 0.069 0.000 2.371 272 G HA2 0.677 4.638 3.960 0.001 0.000 0.326 272 G HA3 0.677 4.638 3.960 0.001 0.000 0.326 272 G C -0.802 174.111 174.900 0.020 0.000 1.127 272 G CA -0.697 44.415 45.100 0.020 0.000 0.885 272 G HN 0.653 nan 8.290 nan 0.000 0.477 273 I N 1.647 122.105 120.570 -0.187 0.000 2.378 273 I HA 0.406 4.576 4.170 0.001 0.000 0.291 273 I C -1.002 175.012 176.117 -0.172 0.000 0.992 273 I CA -0.987 60.291 61.300 -0.036 0.000 1.154 273 I CB 1.117 39.122 38.000 0.009 0.000 1.315 273 I HN 0.360 nan 8.210 nan 0.000 0.448 274 Y N 3.916 124.308 120.300 0.153 0.000 2.536 274 Y HA 0.371 4.922 4.550 0.001 0.000 0.347 274 Y C 0.220 176.230 175.900 0.183 0.000 1.000 274 Y CA -1.419 56.784 58.100 0.173 0.000 1.051 274 Y CB 1.327 39.918 38.460 0.219 0.000 1.259 274 Y HN 0.529 nan 8.280 nan 0.000 0.468 275 N N 2.176 121.051 118.700 0.291 0.000 2.609 275 N HA 0.225 4.966 4.740 0.001 0.000 0.234 275 N C -0.260 175.354 175.510 0.174 0.000 1.001 275 N CA -0.327 52.850 53.050 0.212 0.000 0.926 275 N CB 0.633 39.210 38.487 0.150 0.000 1.130 275 N HN 0.752 nan 8.380 nan 0.000 0.510 276 L N 0.268 121.584 121.223 0.155 0.000 2.465 276 L HA 0.036 4.377 4.340 0.001 0.000 0.224 276 L C 0.495 177.396 176.870 0.051 0.000 1.145 276 L CA 0.306 55.182 54.840 0.060 0.000 0.834 276 L CB -0.192 41.853 42.059 -0.023 0.000 0.944 276 L HN 0.473 nan 8.230 nan 0.000 0.451 277 V N -2.371 117.593 119.914 0.082 0.000 2.656 277 V HA 0.743 4.863 4.120 0.001 0.000 0.307 277 V C -0.962 175.181 176.094 0.082 0.000 1.051 277 V CA -0.616 61.728 62.300 0.073 0.000 0.893 277 V CB 1.958 33.829 31.823 0.080 0.000 0.999 277 V HN 0.068 nan 8.190 nan 0.000 0.426 278 Q N 2.449 122.289 119.800 0.065 0.000 2.313 278 Q HA 0.336 4.677 4.340 0.001 0.000 0.255 278 Q C -0.935 175.096 176.000 0.051 0.000 0.944 278 Q CA -0.370 55.469 55.803 0.061 0.000 0.881 278 Q CB 2.107 30.880 28.738 0.059 0.000 1.375 278 Q HN 0.966 nan 8.270 nan 0.000 0.422 279 K N 2.559 122.989 120.400 0.049 0.000 2.315 279 K HA 0.364 4.685 4.320 0.001 0.000 0.281 279 K C -0.607 176.019 176.600 0.043 0.000 1.086 279 K CA 0.412 56.725 56.287 0.045 0.000 1.042 279 K CB -0.044 32.480 32.500 0.040 0.000 0.949 279 K HN 0.702 nan 8.250 nan 0.000 0.450 280 A N 6.226 129.074 122.820 0.046 0.000 2.515 280 A HA 0.149 4.470 4.320 0.001 0.000 0.263 280 A C -0.088 177.531 177.584 0.059 0.000 1.096 280 A CA -0.065 52.003 52.037 0.052 0.000 0.769 280 A CB -0.048 18.982 19.000 0.050 0.000 1.040 280 A HN 0.751 nan 8.150 nan 0.000 0.505 281 L N 2.030 123.288 121.223 0.059 0.000 2.358 281 L HA 0.419 4.760 4.340 0.001 0.000 0.268 281 L C 0.820 177.727 176.870 0.061 0.000 1.032 281 L CA -0.908 53.960 54.840 0.046 0.000 0.805 281 L CB 1.330 43.405 42.059 0.027 0.000 1.253 281 L HN 0.773 nan 8.230 nan 0.000 0.452 282 K N 2.527 122.928 120.400 0.002 0.000 2.402 282 K HA 0.195 4.516 4.320 0.001 0.000 0.285 282 K C -2.249 174.307 176.600 -0.073 0.000 1.054 282 K CA -1.251 54.981 56.287 -0.091 0.000 1.001 282 K CB 0.523 32.877 32.500 -0.242 0.000 0.946 282 K HN 0.200 nan 8.250 nan 0.000 0.473 283 P HA -0.029 nan 4.420 nan 0.000 0.263 283 P C -2.396 174.896 177.300 -0.014 0.000 1.175 283 P CA -0.686 62.445 63.100 0.052 0.000 0.761 283 P CB 0.052 31.849 31.700 0.162 0.000 0.794 284 P HA 0.208 nan 4.420 nan 0.000 0.272 284 P C -2.380 174.927 177.300 0.010 0.000 1.230 284 P CA -1.022 62.075 63.100 -0.005 0.000 0.788 284 P CB -0.444 31.260 31.700 0.007 0.000 0.949 285 P HA 0.352 nan 4.420 nan 0.000 0.273 285 P C -0.385 176.931 177.300 0.026 0.000 1.250 285 P CA 0.026 63.137 63.100 0.019 0.000 0.793 285 P CB 0.409 32.115 31.700 0.010 0.000 1.011 286 I N -0.196 120.392 120.570 0.031 0.000 2.656 286 I HA 0.258 4.429 4.170 0.001 0.000 0.292 286 I C -0.154 175.984 176.117 0.036 0.000 1.144 286 I CA -1.018 60.304 61.300 0.036 0.000 1.038 286 I CB 2.278 40.304 38.000 0.043 0.000 1.244 286 I HN 0.136 nan 8.210 nan 0.000 0.420 287 K N 6.044 126.467 120.400 0.038 0.000 2.322 287 K HA 0.597 4.917 4.320 0.001 0.000 0.283 287 K C -0.999 175.635 176.600 0.057 0.000 1.042 287 K CA -0.170 56.142 56.287 0.042 0.000 0.958 287 K CB 0.924 33.449 32.500 0.042 0.000 0.984 287 K HN 0.382 nan 8.250 nan 0.000 0.473 288 L N 2.134 123.392 121.223 0.059 0.000 2.301 288 L HA 0.407 4.748 4.340 0.001 0.000 0.264 288 L C -0.757 176.180 176.870 0.113 0.000 1.016 288 L CA -1.329 53.562 54.840 0.085 0.000 0.821 288 L CB 0.909 43.007 42.059 0.064 0.000 1.346 288 L HN 0.511 nan 8.230 nan 0.000 0.429 289 Y N 1.266 121.575 120.300 0.016 0.000 2.454 289 Y HA 0.199 4.750 4.550 0.001 0.000 0.345 289 Y C 1.351 177.259 175.900 0.013 0.000 0.970 289 Y CA -0.370 57.738 58.100 0.014 0.000 1.204 289 Y CB 0.692 39.161 38.460 0.015 0.000 1.122 289 Y HN 0.582 nan 8.280 nan 0.000 0.514 290 R N 2.869 123.190 120.500 -0.299 0.000 2.189 290 R HA -0.307 4.034 4.340 0.001 0.000 0.252 290 R C 0.964 177.175 176.300 -0.148 0.000 1.134 290 R CA 2.815 58.782 56.100 -0.222 0.000 0.954 290 R CB -0.232 29.912 30.300 -0.260 0.000 0.890 290 R HN 0.828 nan 8.270 nan 0.000 0.443 291 E N -0.924 119.128 120.200 -0.248 0.000 2.478 291 E HA -0.076 4.274 4.350 0.001 0.000 0.198 291 E C 0.742 177.452 176.600 0.183 0.000 1.046 291 E CA 1.318 57.733 56.400 0.025 0.000 0.870 291 E CB 0.331 30.094 29.700 0.104 0.000 0.818 291 E HN 0.760 nan 8.360 nan 0.000 0.527 292 T N -4.176 110.532 114.554 0.256 0.000 3.252 292 T HA 0.058 4.409 4.350 0.001 0.000 0.295 292 T C 0.369 175.151 174.700 0.137 0.000 0.897 292 T CA -0.504 61.708 62.100 0.186 0.000 0.905 292 T CB 0.155 69.132 68.868 0.181 0.000 1.202 292 T HN -0.062 nan 8.240 nan 0.000 0.592 293 N N 1.860 120.640 118.700 0.133 0.000 2.693 293 N HA -0.168 4.573 4.740 0.001 0.000 0.249 293 N C -0.102 175.467 175.510 0.098 0.000 1.119 293 N CA 1.345 54.450 53.050 0.092 0.000 0.717 293 N CB -0.928 37.595 38.487 0.060 0.000 1.071 293 N HN 0.906 nan 8.380 nan 0.000 0.555 294 E N 1.107 121.385 120.200 0.130 0.000 2.283 294 E HA 0.294 4.644 4.350 0.001 0.000 0.278 294 E C -2.484 174.173 176.600 0.095 0.000 1.027 294 E CA -1.713 54.742 56.400 0.092 0.000 0.843 294 E CB 1.033 30.768 29.700 0.058 0.000 1.062 294 E HN -0.051 nan 8.360 nan 0.000 0.401 295 P HA -0.037 nan 4.420 nan 0.000 0.267 295 P C -1.161 176.176 177.300 0.061 0.000 1.200 295 P CA -0.068 63.070 63.100 0.064 0.000 0.772 295 P CB 0.723 32.455 31.700 0.053 0.000 0.855 296 V N 2.648 122.601 119.914 0.065 0.000 2.628 296 V HA 0.381 4.502 4.120 0.001 0.000 0.306 296 V C 0.242 176.364 176.094 0.045 0.000 1.045 296 V CA -0.773 61.563 62.300 0.060 0.000 0.905 296 V CB 1.842 33.718 31.823 0.089 0.000 0.997 296 V HN 0.373 nan 8.190 nan 0.000 0.436 297 K N 2.204 122.626 120.400 0.036 0.000 2.154 297 K HA 0.555 4.876 4.320 0.001 0.000 0.264 297 K C -0.465 176.155 176.600 0.033 0.000 1.008 297 K CA 0.192 56.497 56.287 0.030 0.000 0.937 297 K CB 1.119 33.633 32.500 0.023 0.000 1.002 297 K HN 0.801 nan 8.250 nan 0.000 0.469 298 T N 3.998 118.570 114.554 0.030 0.000 2.890 298 T HA 0.361 4.712 4.350 0.001 0.000 0.295 298 T C -1.137 173.579 174.700 0.026 0.000 0.993 298 T CA -0.848 61.270 62.100 0.030 0.000 0.979 298 T CB 0.819 69.704 68.868 0.028 0.000 0.967 298 T HN 0.443 nan 8.240 nan 0.000 0.441 299 K N 2.376 122.794 120.400 0.029 0.000 2.265 299 K HA 0.536 4.857 4.320 0.001 0.000 0.267 299 K C -0.510 176.107 176.600 0.029 0.000 0.994 299 K CA -0.680 55.624 56.287 0.028 0.000 0.860 299 K CB 1.435 33.954 32.500 0.031 0.000 1.099 299 K HN 0.426 nan 8.250 nan 0.000 0.448 300 T N 4.017 118.583 114.554 0.021 0.000 2.770 300 T HA 0.327 4.677 4.350 0.001 0.000 0.297 300 T C -0.100 174.608 174.700 0.012 0.000 0.997 300 T CA -0.639 61.468 62.100 0.013 0.000 0.949 300 T CB 0.580 69.448 68.868 -0.000 0.000 0.941 300 T HN 0.343 nan 8.240 nan 0.000 0.457 301 R N 1.449 121.964 120.500 0.024 0.000 2.856 301 R HA 0.758 5.099 4.340 0.001 0.000 0.258 301 R C -0.430 175.856 176.300 -0.024 0.000 1.066 301 R CA -0.888 55.232 56.100 0.034 0.000 1.045 301 R CB 1.464 31.822 30.300 0.097 0.000 1.178 301 R HN 0.408 nan 8.270 nan 0.000 0.499 302 T N 2.297 116.838 114.554 -0.023 0.000 2.841 302 T HA 0.521 4.871 4.350 0.001 0.000 0.285 302 T C -1.223 173.462 174.700 -0.025 0.000 0.991 302 T CA -0.615 61.406 62.100 -0.131 0.000 0.966 302 T CB 0.657 69.469 68.868 -0.094 0.000 0.962 302 T HN 0.415 nan 8.240 nan 0.000 0.438 303 F N 0.575 120.526 119.950 0.001 0.000 2.599 303 F HA 0.628 5.156 4.527 0.002 0.000 0.311 303 F C -0.363 175.437 175.800 0.001 0.000 1.076 303 F CA -1.648 56.353 58.000 0.001 0.000 0.937 303 F CB 0.903 39.904 39.000 0.002 0.000 1.282 303 F HN 0.322 nan 8.300 nan 0.000 0.460 304 N N 1.450 120.336 118.700 0.310 0.000 2.454 304 N HA 0.005 4.746 4.740 0.001 0.000 0.260 304 N C 0.742 176.441 175.510 0.315 0.000 1.218 304 N CA 0.686 53.857 53.050 0.203 0.000 0.904 304 N CB 1.385 39.944 38.487 0.120 0.000 1.065 304 N HN 0.870 nan 8.380 nan 0.000 0.462 305 T N 1.779 116.464 114.554 0.218 0.000 2.777 305 T HA -0.149 4.202 4.350 0.001 0.000 0.266 305 T C 1.904 176.683 174.700 0.132 0.000 1.040 305 T CA 1.937 64.171 62.100 0.225 0.000 1.141 305 T CB -0.182 68.761 68.868 0.126 0.000 0.868 305 T HN 0.768 nan 8.240 nan 0.000 0.444 306 S N 2.069 117.819 115.700 0.083 0.000 2.335 306 S HA -0.158 4.313 4.470 0.001 0.000 0.216 306 S C 2.408 177.022 174.600 0.024 0.000 1.032 306 S CA 1.857 60.083 58.200 0.044 0.000 1.000 306 S CB -1.310 61.910 63.200 0.033 0.000 0.928 306 S HN 0.660 nan 8.310 nan 0.000 0.434 307 T N -2.156 112.413 114.554 0.026 0.000 2.942 307 T HA 0.376 4.727 4.350 0.001 0.000 0.265 307 T C 1.798 176.477 174.700 -0.034 0.000 1.062 307 T CA 1.224 63.324 62.100 0.001 0.000 1.139 307 T CB -0.830 68.044 68.868 0.010 0.000 0.883 307 T HN 1.485 nan 8.240 nan 0.000 0.468 308 G N 0.849 109.633 108.800 -0.027 0.000 2.176 308 G HA2 -0.062 3.898 3.960 0.001 0.000 0.253 308 G HA3 -0.062 3.898 3.960 0.001 0.000 0.253 308 G C 0.423 175.256 174.900 -0.110 0.000 0.979 308 G CA -0.024 44.962 45.100 -0.190 0.000 0.641 308 G HN 1.045 nan 8.290 nan 0.000 0.530 309 G N -0.345 108.462 108.800 0.012 0.000 2.483 309 G HA2 0.572 4.533 3.960 0.001 0.000 0.248 309 G HA3 0.572 4.533 3.960 0.001 0.000 0.248 309 G C 0.325 175.294 174.900 0.114 0.000 1.248 309 G CA 0.076 45.199 45.100 0.039 0.000 0.838 309 G HN 1.118 nan 8.290 nan 0.000 0.566 310 L N 1.480 122.759 121.223 0.092 0.000 2.490 310 L HA 0.297 4.638 4.340 0.001 0.000 0.274 310 L C -0.004 176.919 176.870 0.089 0.000 1.201 310 L CA 0.095 55.005 54.840 0.116 0.000 0.869 310 L CB 0.482 42.586 42.059 0.075 0.000 1.123 310 L HN 0.356 nan 8.230 nan 0.000 0.484 311 L N 6.518 127.792 121.223 0.084 0.000 2.262 311 L HA 0.347 4.687 4.340 0.001 0.000 0.288 311 L C -0.116 176.771 176.870 0.029 0.000 1.035 311 L CA -0.425 54.445 54.840 0.049 0.000 0.820 311 L CB 0.881 42.960 42.059 0.035 0.000 1.204 311 L HN 0.618 nan 8.230 nan 0.000 0.424 312 L N 5.690 126.928 121.223 0.024 0.000 2.473 312 L HA 0.115 4.456 4.340 0.001 0.000 0.268 312 L C -0.853 176.023 176.870 0.010 0.000 1.215 312 L CA -1.223 53.627 54.840 0.017 0.000 0.823 312 L CB 0.397 42.464 42.059 0.014 0.000 1.099 312 L HN 0.448 nan 8.230 nan 0.000 0.483 313 P HA -0.134 nan 4.420 nan 0.000 0.222 313 P C 0.946 178.247 177.300 0.002 0.000 1.147 313 P CA 1.091 64.192 63.100 0.002 0.000 0.790 313 P CB 0.131 31.832 31.700 0.002 0.000 0.780 314 S N -2.033 113.670 115.700 0.004 0.000 2.671 314 S HA 0.095 4.566 4.470 0.001 0.000 0.220 314 S C 0.950 175.553 174.600 0.005 0.000 0.951 314 S CA -0.169 58.033 58.200 0.003 0.000 0.932 314 S CB -0.563 62.639 63.200 0.003 0.000 0.777 314 S HN -0.013 nan 8.310 nan 0.000 0.508 315 D N 0.918 121.322 120.400 0.006 0.000 2.431 315 D HA 0.211 4.852 4.640 0.001 0.000 0.213 315 D C -0.075 176.228 176.300 0.005 0.000 1.130 315 D CA 0.280 54.285 54.000 0.008 0.000 0.834 315 D CB 1.246 42.055 40.800 0.014 0.000 0.985 315 D HN 0.384 nan 8.370 nan 0.000 0.504 316 T N -0.181 114.374 114.554 0.001 0.000 2.903 316 T HA 0.464 4.815 4.350 0.001 0.000 0.299 316 T C -1.007 173.690 174.700 -0.004 0.000 1.093 316 T CA -0.515 61.583 62.100 -0.003 0.000 1.002 316 T CB 2.073 70.936 68.868 -0.009 0.000 1.127 316 T HN -0.259 nan 8.240 nan 0.000 0.488 317 K N 1.645 122.042 120.400 -0.005 0.000 2.378 317 K HA 0.675 4.996 4.320 0.001 0.000 0.244 317 K C -0.765 175.831 176.600 -0.006 0.000 1.039 317 K CA -1.259 55.026 56.287 -0.004 0.000 0.863 317 K CB 1.211 33.710 32.500 -0.002 0.000 1.326 317 K HN 0.281 nan 8.250 nan 0.000 0.460 318 R N 0.779 121.277 120.500 -0.003 0.000 2.407 318 R HA 0.370 4.710 4.340 0.001 0.000 0.303 318 R C -0.502 175.797 176.300 -0.001 0.000 0.981 318 R CA -0.480 55.618 56.100 -0.004 0.000 0.905 318 R CB 1.505 31.805 30.300 -0.000 0.000 1.099 318 R HN 0.634 nan 8.270 nan 0.000 0.459 319 S N 1.639 117.334 115.700 -0.008 0.000 2.542 319 S HA 0.498 4.969 4.470 0.001 0.000 0.293 319 S C -1.159 173.424 174.600 -0.027 0.000 1.089 319 S CA -0.606 57.587 58.200 -0.010 0.000 0.961 319 S CB 1.717 64.906 63.200 -0.018 0.000 1.062 319 S HN 0.528 nan 8.310 nan 0.000 0.483 320 Q N 2.611 122.394 119.800 -0.029 0.000 2.271 320 Q HA 0.517 4.858 4.340 0.001 0.000 0.268 320 Q C -1.625 174.272 176.000 -0.172 0.000 1.021 320 Q CA -0.375 55.362 55.803 -0.111 0.000 0.802 320 Q CB 1.792 30.522 28.738 -0.014 0.000 1.282 320 Q HN 0.750 nan 8.270 nan 0.000 0.431 321 I N 3.735 124.115 120.570 -0.316 0.000 2.330 321 I HA 0.328 4.498 4.170 0.001 0.000 0.289 321 I C -1.255 174.609 176.117 -0.422 0.000 1.001 321 I CA -0.581 60.570 61.300 -0.247 0.000 1.193 321 I CB 0.741 38.657 38.000 -0.139 0.000 1.345 321 I HN 0.566 nan 8.210 nan 0.000 0.461 322 Y N 4.660 124.958 120.300 -0.004 0.000 2.328 322 Y HA 0.563 5.114 4.550 0.003 0.000 0.336 322 Y C 1.063 176.961 175.900 -0.003 0.000 0.960 322 Y CA 0.018 58.116 58.100 -0.004 0.000 1.134 322 Y CB 1.739 40.196 38.460 -0.004 0.000 1.166 322 Y HN 0.841 nan 8.280 nan 0.000 0.464 323 G N 2.054 110.923 108.800 0.115 0.000 2.846 323 G HA2 -0.366 3.595 3.960 0.001 0.000 0.317 323 G HA3 -0.366 3.595 3.960 0.001 0.000 0.317 323 G C 0.622 175.545 174.900 0.039 0.000 1.210 323 G CA 0.732 45.874 45.100 0.069 0.000 0.972 323 G HN 1.221 nan 8.290 nan 0.000 0.567 324 S N -0.462 115.263 115.700 0.041 0.000 2.977 324 S HA 0.625 5.096 4.470 0.001 0.000 0.250 324 S C -0.021 174.597 174.600 0.030 0.000 1.005 324 S CA 0.680 58.894 58.200 0.024 0.000 1.081 324 S CB 0.801 64.012 63.200 0.018 0.000 1.018 324 S HN 0.902 nan 8.310 nan 0.000 0.539 325 R N 1.199 121.729 120.500 0.050 0.000 2.621 325 R HA 0.471 4.811 4.340 0.001 0.000 0.292 325 R C -1.279 175.060 176.300 0.065 0.000 0.969 325 R CA -0.338 55.795 56.100 0.056 0.000 0.887 325 R CB 1.530 31.871 30.300 0.068 0.000 1.180 325 R HN 0.429 nan 8.270 nan 0.000 0.450 326 Q N 4.271 124.098 119.800 0.044 0.000 2.256 326 Q HA 0.420 4.760 4.340 0.001 0.000 0.257 326 Q C -1.074 174.959 176.000 0.056 0.000 0.936 326 Q CA -0.599 55.227 55.803 0.038 0.000 0.903 326 Q CB 1.292 30.038 28.738 0.014 0.000 1.263 326 Q HN 0.582 nan 8.270 nan 0.000 0.440 327 I N 5.033 125.649 120.570 0.075 0.000 2.382 327 I HA 0.336 4.506 4.170 0.001 0.000 0.286 327 I C -0.670 175.477 176.117 0.050 0.000 1.002 327 I CA -0.787 60.559 61.300 0.076 0.000 1.135 327 I CB 1.339 39.416 38.000 0.130 0.000 1.288 327 I HN 0.508 nan 8.210 nan 0.000 0.448 328 I N 7.279 127.867 120.570 0.031 0.000 2.377 328 I HA 0.518 4.689 4.170 0.001 0.000 0.293 328 I C -0.115 176.011 176.117 0.015 0.000 0.987 328 I CA -0.484 60.827 61.300 0.019 0.000 1.185 328 I CB 1.501 39.507 38.000 0.011 0.000 1.341 328 I HN 0.403 nan 8.210 nan 0.000 0.455 329 L N 4.211 125.441 121.223 0.013 0.000 2.350 329 L HA 0.507 4.848 4.340 0.001 0.000 0.260 329 L C 0.087 176.959 176.870 0.003 0.000 1.015 329 L CA -1.026 53.819 54.840 0.008 0.000 0.821 329 L CB 2.442 44.508 42.059 0.011 0.000 1.370 329 L HN 0.430 nan 8.230 nan 0.000 0.416 330 E N 0.846 121.046 120.200 -0.000 0.000 2.349 330 E HA 0.079 4.430 4.350 0.001 0.000 0.262 330 E C 0.381 176.980 176.600 -0.002 0.000 1.088 330 E CA -0.221 56.178 56.400 -0.002 0.000 0.899 330 E CB 1.578 31.276 29.700 -0.004 0.000 1.044 330 E HN 0.455 nan 8.360 nan 0.000 0.420 331 K N 1.954 122.352 120.400 -0.003 0.000 2.032 331 K HA -0.224 4.097 4.320 0.001 0.000 0.209 331 K C 1.303 177.901 176.600 -0.003 0.000 1.048 331 K CA 1.881 58.166 56.287 -0.003 0.000 0.927 331 K CB 0.026 32.524 32.500 -0.003 0.000 0.712 331 K HN 0.405 nan 8.250 nan 0.000 0.441 332 E N 0.483 120.680 120.200 -0.005 0.000 2.130 332 E HA -0.220 4.131 4.350 0.001 0.000 0.196 332 E C 1.894 178.487 176.600 -0.011 0.000 0.998 332 E CA 1.763 58.158 56.400 -0.008 0.000 0.806 332 E CB -0.027 29.668 29.700 -0.009 0.000 0.738 332 E HN 0.500 nan 8.360 nan 0.000 0.459 333 E N -0.089 120.105 120.200 -0.010 0.000 2.216 333 E HA -0.097 4.254 4.350 0.001 0.000 0.192 333 E C 2.206 178.800 176.600 -0.010 0.000 0.988 333 E CA 1.389 57.781 56.400 -0.013 0.000 0.834 333 E CB -0.009 29.684 29.700 -0.011 0.000 0.772 333 E HN 0.377 nan 8.360 nan 0.000 0.479 334 T N -0.413 114.139 114.554 -0.002 0.000 2.962 334 T HA -0.074 4.277 4.350 0.001 0.000 0.270 334 T C 1.591 176.294 174.700 0.005 0.000 1.088 334 T CA 0.706 62.809 62.100 0.005 0.000 1.127 334 T CB 0.069 68.942 68.868 0.008 0.000 0.883 334 T HN -0.036 nan 8.240 nan 0.000 0.493 335 E N 1.076 121.276 120.200 -0.000 0.000 2.102 335 E HA 0.028 4.379 4.350 0.001 0.000 0.190 335 E C 2.210 178.806 176.600 -0.006 0.000 0.971 335 E CA 0.868 57.269 56.400 0.001 0.000 0.821 335 E CB -0.340 29.360 29.700 -0.001 0.000 0.777 335 E HN 0.577 nan 8.360 nan 0.000 0.460 336 E N 1.616 121.804 120.200 -0.020 0.000 2.085 336 E HA -0.164 4.187 4.350 0.001 0.000 0.194 336 E C 1.998 178.559 176.600 -0.065 0.000 0.994 336 E CA 0.936 57.311 56.400 -0.042 0.000 0.801 336 E CB -0.347 29.326 29.700 -0.045 0.000 0.743 336 E HN 0.241 nan 8.360 nan 0.000 0.453 337 L N -1.143 120.052 121.223 -0.047 0.000 2.549 337 L HA 0.126 4.467 4.340 0.001 0.000 0.229 337 L C 1.591 178.451 176.870 -0.017 0.000 1.158 337 L CA 1.350 56.155 54.840 -0.058 0.000 0.842 337 L CB -0.261 41.783 42.059 -0.025 0.000 0.952 337 L HN -0.089 nan 8.230 nan 0.000 0.452 338 K N 0.095 120.508 120.400 0.021 0.000 2.361 338 K HA 0.145 4.466 4.320 0.001 0.000 0.194 338 K C 0.721 177.424 176.600 0.170 0.000 1.032 338 K CA -0.168 56.190 56.287 0.118 0.000 1.048 338 K CB 0.267 32.815 32.500 0.079 0.000 0.842 338 K HN 0.251 nan 8.250 nan 0.000 0.526 339 R N 0.421 120.924 120.500 0.005 0.000 2.347 339 R HA 0.101 4.442 4.340 0.001 0.000 0.304 339 R C -0.556 175.627 176.300 -0.194 0.000 1.072 339 R CA 0.165 56.254 56.100 -0.020 0.000 0.980 339 R CB 0.319 30.578 30.300 -0.067 0.000 0.986 339 R HN -0.085 nan 8.270 nan 0.000 0.448 340 F N 0.436 120.360 119.950 -0.042 0.000 1.948 340 F HA 0.261 4.787 4.527 -0.001 0.000 0.221 340 F C 0.276 176.050 175.800 -0.042 0.000 1.234 340 F CA -0.158 57.815 58.000 -0.045 0.000 1.301 340 F CB 0.002 38.967 39.000 -0.058 0.000 1.848 340 F HN 0.404 nan 8.300 nan 0.000 0.260 341 D N 0.805 121.317 120.400 0.186 0.000 2.340 341 D HA 0.192 4.832 4.640 0.001 0.000 0.251 341 D C -1.003 175.317 176.300 0.033 0.000 1.080 341 D CA -0.141 53.902 54.000 0.072 0.000 0.971 341 D CB 0.695 41.516 40.800 0.035 0.000 1.137 341 D HN 0.048 nan 8.370 nan 0.000 0.475 342 D N 0.270 120.678 120.400 0.014 0.000 2.344 342 D HA 0.230 4.871 4.640 0.001 0.000 0.244 342 D C -2.154 174.140 176.300 -0.010 0.000 1.134 342 D CA -1.183 52.818 54.000 0.001 0.000 0.930 342 D CB 0.124 40.925 40.800 0.000 0.000 1.175 342 D HN -0.064 nan 8.370 nan 0.000 0.437 343 P HA 0.276 nan 4.420 nan 0.000 0.264 343 P C 0.047 177.340 177.300 -0.013 0.000 1.183 343 P CA 0.381 63.460 63.100 -0.035 0.000 0.763 343 P CB 0.574 32.256 31.700 -0.030 0.000 0.807 344 G N 1.358 110.155 108.800 -0.005 0.000 2.362 344 G HA2 0.233 4.194 3.960 0.001 0.000 0.288 344 G HA3 0.233 4.194 3.960 0.001 0.000 0.288 344 G C -2.212 172.742 174.900 0.089 0.000 1.305 344 G CA -0.852 44.273 45.100 0.041 0.000 0.910 344 G HN 0.449 nan 8.290 nan 0.000 0.518 345 L N 0.570 121.833 121.223 0.067 0.000 2.372 345 L HA 0.624 4.964 4.340 0.001 0.000 0.274 345 L C 0.084 176.952 176.870 -0.004 0.000 0.988 345 L CA -0.430 54.439 54.840 0.049 0.000 0.833 345 L CB 1.789 43.848 42.059 -0.000 0.000 1.236 345 L HN 0.486 nan 8.230 nan 0.000 0.410 346 M N 4.633 124.228 119.600 -0.009 0.000 2.088 346 M HA 0.304 4.784 4.480 0.001 0.000 0.346 346 M C -0.597 175.676 176.300 -0.044 0.000 1.111 346 M CA -0.933 54.355 55.300 -0.019 0.000 1.017 346 M CB 1.833 34.432 32.600 -0.002 0.000 1.568 346 M HN 0.325 nan 8.290 nan 0.000 0.445 347 L N 4.617 125.794 121.223 -0.077 0.000 2.513 347 L HA 0.055 4.395 4.340 0.001 0.000 0.272 347 L C 0.530 177.338 176.870 -0.104 0.000 1.187 347 L CA 0.787 55.542 54.840 -0.142 0.000 0.895 347 L CB 0.487 42.446 42.059 -0.166 0.000 1.147 347 L HN 0.794 nan 8.230 nan 0.000 0.483 348 M N 3.429 122.954 119.600 -0.126 0.000 2.615 348 M HA 0.434 4.915 4.480 0.001 0.000 0.262 348 M C 0.862 177.091 176.300 -0.119 0.000 1.198 348 M CA 0.760 56.020 55.300 -0.066 0.000 1.165 348 M CB -0.629 31.970 32.600 -0.003 0.000 1.310 348 M HN 0.769 nan 8.290 nan 0.000 0.494 349 G N -0.156 108.480 108.800 -0.273 0.000 2.352 349 G HA2 0.289 4.249 3.960 0.001 0.000 0.283 349 G HA3 0.289 4.249 3.960 0.001 0.000 0.283 349 G C -1.937 172.619 174.900 -0.573 0.000 1.308 349 G CA -1.019 43.916 45.100 -0.275 0.000 0.892 349 G HN 0.062 nan 8.290 nan 0.000 0.504 350 F N 0.852 120.782 119.950 -0.034 0.000 2.507 350 F HA 0.747 5.275 4.527 0.001 0.000 0.325 350 F C 0.381 176.164 175.800 -0.028 0.000 1.116 350 F CA -0.693 57.288 58.000 -0.031 0.000 0.930 350 F CB 2.626 41.611 39.000 -0.025 0.000 1.146 350 F HN 0.456 nan 8.300 nan 0.000 0.447 351 K N 5.208 125.667 120.400 0.098 0.000 2.376 351 K HA 0.487 4.807 4.320 0.001 0.000 0.257 351 K C -2.917 173.718 176.600 0.058 0.000 0.939 351 K CA -2.269 54.047 56.287 0.049 0.000 0.809 351 K CB 1.893 34.387 32.500 -0.011 0.000 1.121 351 K HN 0.185 nan 8.250 nan 0.000 0.425 352 P HA -0.056 nan 4.420 nan 0.000 0.262 352 P C 0.731 178.046 177.300 0.025 0.000 1.182 352 P CA 0.242 63.364 63.100 0.036 0.000 0.761 352 P CB 0.582 32.295 31.700 0.022 0.000 0.795 353 L N 3.684 124.924 121.223 0.030 0.000 2.129 353 L HA -0.211 4.130 4.340 0.001 0.000 0.212 353 L C 2.441 179.315 176.870 0.007 0.000 1.087 353 L CA 1.491 56.344 54.840 0.023 0.000 0.757 353 L CB -1.156 40.920 42.059 0.029 0.000 0.896 353 L HN 0.266 nan 8.230 nan 0.000 0.434 354 V N -2.940 116.976 119.914 0.004 0.000 2.867 354 V HA -0.202 3.919 4.120 0.001 0.000 0.260 354 V C 1.986 178.070 176.094 -0.017 0.000 1.099 354 V CA 1.311 63.608 62.300 -0.005 0.000 1.122 354 V CB -0.736 31.086 31.823 -0.002 0.000 0.708 354 V HN 0.420 nan 8.190 nan 0.000 0.490 355 L N -0.184 121.030 121.223 -0.016 0.000 2.599 355 L HA 0.299 4.639 4.340 0.001 0.000 0.230 355 L C 0.575 177.416 176.870 -0.049 0.000 1.141 355 L CA 0.303 55.126 54.840 -0.028 0.000 0.877 355 L CB -0.030 42.018 42.059 -0.018 0.000 1.009 355 L HN 0.311 nan 8.230 nan 0.000 0.447 356 L N 0.757 121.951 121.223 -0.048 0.000 2.262 356 L HA 0.284 4.625 4.340 0.001 0.000 0.288 356 L C -0.159 176.637 176.870 -0.122 0.000 1.035 356 L CA -0.474 54.328 54.840 -0.064 0.000 0.820 356 L CB 1.133 43.180 42.059 -0.019 0.000 1.204 356 L HN -0.053 nan 8.230 nan 0.000 0.424 357 K N 2.116 122.349 120.400 -0.279 0.000 2.218 357 K HA 0.135 4.455 4.320 0.001 0.000 0.276 357 K C 0.802 177.216 176.600 -0.311 0.000 1.022 357 K CA -0.348 55.673 56.287 -0.442 0.000 0.946 357 K CB 1.550 33.403 32.500 -1.079 0.000 1.000 357 K HN 0.329 nan 8.250 nan 0.000 0.468 358 K N 1.779 122.096 120.400 -0.139 0.000 2.097 358 K HA -0.155 4.166 4.320 0.001 0.000 0.206 358 K C 1.163 177.799 176.600 0.060 0.000 1.049 358 K CA 1.310 57.604 56.287 0.012 0.000 0.933 358 K CB 0.089 32.635 32.500 0.077 0.000 0.717 358 K HN 0.741 nan 8.250 nan 0.000 0.442 359 H N -2.239 116.850 119.070 0.032 0.000 2.555 359 H HA 0.035 4.591 4.556 -0.000 0.000 0.283 359 H C 0.141 175.634 175.328 0.275 0.000 1.037 359 H CA 0.305 56.423 56.048 0.116 0.000 1.169 359 H CB -0.440 29.371 29.762 0.082 0.000 1.375 359 H HN 0.407 nan 8.280 nan 0.000 0.582 360 H N -0.300 118.714 119.070 -0.094 0.000 2.542 360 H HA 0.001 4.558 4.556 0.002 0.000 0.283 360 H C -0.253 175.113 175.328 0.062 0.000 1.059 360 H CA -0.625 55.403 56.048 -0.033 0.000 1.162 360 H CB 0.327 30.025 29.762 -0.106 0.000 1.539 360 H HN 0.212 nan 8.280 nan 0.000 0.543 361 Y N 1.405 121.780 120.300 0.125 0.000 2.903 361 Y HA -0.143 4.408 4.550 0.001 0.000 0.338 361 Y C 0.671 176.617 175.900 0.076 0.000 1.265 361 Y CA 0.251 58.408 58.100 0.094 0.000 1.532 361 Y CB 0.538 39.043 38.460 0.076 0.000 1.293 361 Y HN 0.186 nan 8.280 nan 0.000 0.609 362 L N 5.064 125.804 121.223 -0.806 0.000 2.663 362 L HA 0.406 4.746 4.340 0.001 0.000 0.218 362 L C -0.438 175.939 176.870 -0.821 0.000 1.043 362 L CA 0.656 55.146 54.840 -0.582 0.000 0.876 362 L CB 0.111 42.010 42.059 -0.266 0.000 1.263 362 L HN 0.810 nan 8.230 nan 0.000 0.486 363 R N -1.116 118.735 120.500 -1.082 0.000 2.709 363 R HA 0.450 4.791 4.340 0.001 0.000 0.270 363 R C -2.868 173.250 176.300 -0.303 0.000 1.038 363 R CA -1.490 54.222 56.100 -0.646 0.000 0.872 363 R CB -0.135 29.828 30.300 -0.562 0.000 1.259 363 R HN -0.244 nan 8.270 nan 0.000 0.473 364 P HA -0.053 nan 4.420 nan 0.000 0.263 364 P C -0.501 176.962 177.300 0.272 0.000 1.175 364 P CA 0.285 63.555 63.100 0.283 0.000 0.761 364 P CB 0.657 32.470 31.700 0.189 0.000 0.794 365 S N 2.025 117.919 115.700 0.323 0.000 2.593 365 S HA 0.329 4.800 4.470 0.001 0.000 0.269 365 S C 0.680 175.444 174.600 0.274 0.000 1.334 365 S CA -0.466 57.921 58.200 0.311 0.000 1.015 365 S CB 0.213 63.562 63.200 0.248 0.000 0.912 365 S HN 0.316 nan 8.310 nan 0.000 0.541 366 L N 0.931 122.300 121.223 0.244 0.000 2.299 366 L HA 0.683 5.024 4.340 0.001 0.000 0.268 366 L C -0.882 176.167 176.870 0.298 0.000 1.012 366 L CA -0.818 54.167 54.840 0.242 0.000 0.816 366 L CB 0.848 43.012 42.059 0.175 0.000 1.355 366 L HN 0.564 nan 8.230 nan 0.000 0.457 367 F N 0.508 120.566 119.950 0.179 0.000 2.507 367 F HA 0.626 5.154 4.527 0.001 0.000 0.325 367 F C -0.845 175.136 175.800 0.301 0.000 1.116 367 F CA -0.764 57.362 58.000 0.210 0.000 0.930 367 F CB 1.585 40.683 39.000 0.163 0.000 1.146 367 F HN -0.064 nan 8.300 nan 0.000 0.447 368 V N 6.904 126.558 119.914 -0.433 0.000 2.398 368 V HA 0.404 4.524 4.120 0.001 0.000 0.286 368 V C -1.325 174.567 176.094 -0.338 0.000 1.026 368 V CA -0.810 61.373 62.300 -0.194 0.000 0.868 368 V CB 1.193 33.050 31.823 0.057 0.000 0.982 368 V HN 0.729 nan 8.190 nan 0.000 0.443 369 Y N 6.648 126.752 120.300 -0.327 0.000 2.492 369 Y HA 0.602 5.152 4.550 0.001 0.000 0.346 369 Y C -2.569 173.039 175.900 -0.487 0.000 0.997 369 Y CA -2.467 55.337 58.100 -0.494 0.000 1.025 369 Y CB 3.202 41.503 38.460 -0.265 0.000 1.263 369 Y HN 0.441 nan 8.280 nan 0.000 0.454 370 P HA 0.031 nan 4.420 nan 0.000 0.268 370 P C -0.918 176.203 177.300 -0.299 0.000 1.204 370 P CA 0.117 62.753 63.100 -0.773 0.000 0.768 370 P CB 1.164 32.284 31.700 -0.968 0.000 0.842 371 E N 2.076 122.203 120.200 -0.122 0.000 2.103 371 E HA 0.102 4.452 4.350 0.001 0.000 0.254 371 E C 0.775 177.360 176.600 -0.024 0.000 0.940 371 E CA -0.309 56.083 56.400 -0.015 0.000 0.771 371 E CB 0.115 29.826 29.700 0.019 0.000 1.153 371 E HN 0.246 nan 8.360 nan 0.000 0.428 372 E N 1.701 121.886 120.200 -0.026 0.000 2.338 372 E HA -0.140 4.210 4.350 0.001 0.000 0.197 372 E C 1.369 177.971 176.600 0.003 0.000 1.007 372 E CA 1.349 57.739 56.400 -0.016 0.000 0.849 372 E CB 0.093 29.785 29.700 -0.014 0.000 0.774 372 E HN 0.460 nan 8.360 nan 0.000 0.506 373 S N -0.936 114.773 115.700 0.015 0.000 2.453 373 S HA -0.053 4.418 4.470 0.001 0.000 0.231 373 S C 1.791 176.398 174.600 0.012 0.000 1.005 373 S CA 0.653 58.863 58.200 0.017 0.000 0.949 373 S CB -0.182 63.033 63.200 0.026 0.000 0.774 373 S HN 0.289 nan 8.310 nan 0.000 0.510 374 L N 0.485 121.713 121.223 0.009 0.000 2.185 374 L HA 0.316 4.657 4.340 0.001 0.000 0.198 374 L C 0.140 177.013 176.870 0.006 0.000 1.079 374 L CA 0.276 55.120 54.840 0.007 0.000 0.780 374 L CB -0.103 41.960 42.059 0.007 0.000 0.955 374 L HN 0.160 nan 8.230 nan 0.000 0.462 375 V N 1.673 121.589 119.914 0.004 0.000 2.326 375 V HA 0.301 4.422 4.120 0.001 0.000 0.281 375 V C 0.144 176.241 176.094 0.004 0.000 1.015 375 V CA -0.609 61.694 62.300 0.005 0.000 0.823 375 V CB 1.486 33.314 31.823 0.008 0.000 1.009 375 V HN 0.109 nan 8.190 nan 0.000 0.436 376 I N 4.447 125.020 120.570 0.005 0.000 2.683 376 I HA 0.316 4.486 4.170 0.001 0.000 0.286 376 I C 1.464 177.585 176.117 0.007 0.000 1.175 376 I CA 1.668 62.970 61.300 0.004 0.000 1.429 376 I CB 0.622 38.626 38.000 0.005 0.000 1.371 376 I HN 0.909 nan 8.210 nan 0.000 0.569 377 G N 3.388 112.192 108.800 0.007 0.000 2.213 377 G HA2 -0.288 3.672 3.960 0.001 0.000 0.226 377 G HA3 -0.288 3.672 3.960 0.001 0.000 0.226 377 G C 1.003 175.916 174.900 0.021 0.000 0.992 377 G CA 0.341 45.449 45.100 0.013 0.000 0.632 377 G HN 0.562 nan 8.290 nan 0.000 0.511 378 S N 0.860 116.569 115.700 0.014 0.000 2.370 378 S HA -0.109 4.362 4.470 0.001 0.000 0.226 378 S C 2.495 177.119 174.600 0.040 0.000 1.033 378 S CA 2.025 60.240 58.200 0.025 0.000 1.011 378 S CB -0.302 62.895 63.200 -0.005 0.000 0.852 378 S HN 0.650 nan 8.310 nan 0.000 0.457 379 S N 1.244 116.932 115.700 -0.019 0.000 2.368 379 S HA -0.102 4.368 4.470 0.001 0.000 0.225 379 S C 2.152 176.794 174.600 0.069 0.000 1.030 379 S CA 1.521 59.696 58.200 -0.041 0.000 0.999 379 S CB -0.727 62.416 63.200 -0.094 0.000 0.844 379 S HN 0.580 nan 8.310 nan 0.000 0.459 380 T N 2.857 117.443 114.554 0.053 0.000 2.674 380 T HA -0.010 4.341 4.350 0.001 0.000 0.265 380 T C 1.746 176.497 174.700 0.085 0.000 1.039 380 T CA 0.940 63.076 62.100 0.059 0.000 1.150 380 T CB -0.472 68.418 68.868 0.037 0.000 0.864 380 T HN 0.200 nan 8.240 nan 0.000 0.427 381 L N -0.207 121.070 121.223 0.090 0.000 2.017 381 L HA -0.067 4.274 4.340 0.001 0.000 0.208 381 L C 2.302 179.250 176.870 0.131 0.000 1.073 381 L CA 1.614 56.507 54.840 0.088 0.000 0.745 381 L CB -0.415 41.690 42.059 0.076 0.000 0.894 381 L HN 0.254 nan 8.230 nan 0.000 0.432 382 F N 0.338 120.300 119.950 0.020 0.000 2.065 382 F HA -0.331 4.197 4.527 0.001 0.000 0.298 382 F C 2.657 178.511 175.800 0.089 0.000 1.112 382 F CA 2.167 60.202 58.000 0.059 0.000 1.212 382 F CB -0.242 38.753 39.000 -0.009 0.000 0.975 382 F HN 0.018 nan 8.300 nan 0.000 0.476 383 S N 0.330 116.217 115.700 0.312 0.000 2.374 383 S HA -0.254 4.217 4.470 0.001 0.000 0.227 383 S C 2.228 176.863 174.600 0.058 0.000 1.037 383 S CA 1.136 59.439 58.200 0.172 0.000 1.024 383 S CB -0.894 62.379 63.200 0.123 0.000 0.861 383 S HN 0.571 nan 8.310 nan 0.000 0.456 384 A N 1.261 124.111 122.820 0.050 0.000 1.873 384 A HA 0.021 4.342 4.320 0.001 0.000 0.215 384 A C 2.141 179.727 177.584 0.004 0.000 1.186 384 A CA 1.112 53.160 52.037 0.018 0.000 0.616 384 A CB -0.745 18.266 19.000 0.018 0.000 0.823 384 A HN 0.436 nan 8.150 nan 0.000 0.442 385 L N -0.981 120.252 121.223 0.016 0.000 2.042 385 L HA -0.202 4.138 4.340 0.001 0.000 0.210 385 L C 2.576 179.517 176.870 0.118 0.000 1.076 385 L CA 1.360 56.233 54.840 0.056 0.000 0.749 385 L CB -0.468 41.612 42.059 0.036 0.000 0.893 385 L HN 0.510 nan 8.230 nan 0.000 0.432 386 L N -0.076 121.155 121.223 0.013 0.000 2.017 386 L HA -0.197 4.144 4.340 0.001 0.000 0.208 386 L C 2.294 179.093 176.870 -0.118 0.000 1.073 386 L CA 1.744 56.461 54.840 -0.205 0.000 0.745 386 L CB -0.394 41.447 42.059 -0.364 0.000 0.894 386 L HN 0.093 nan 8.230 nan 0.000 0.432 387 I N -0.517 120.018 120.570 -0.059 0.000 2.163 387 I HA -0.275 3.895 4.170 0.001 0.000 0.243 387 I C 2.321 178.414 176.117 -0.039 0.000 1.085 387 I CA 1.139 62.414 61.300 -0.042 0.000 1.347 387 I CB -0.407 37.580 38.000 -0.021 0.000 1.044 387 I HN 0.223 nan 8.210 nan 0.000 0.408 388 K N 0.016 120.394 120.400 -0.038 0.000 2.116 388 K HA -0.033 4.287 4.320 0.001 0.000 0.203 388 K C 2.171 178.743 176.600 -0.047 0.000 1.052 388 K CA 0.994 57.248 56.287 -0.055 0.000 0.952 388 K CB -0.670 31.777 32.500 -0.089 0.000 0.729 388 K HN 0.362 nan 8.250 nan 0.000 0.446 389 C N 0.998 120.298 119.300 0.000 0.000 2.422 389 C HA -0.014 4.447 4.460 0.001 0.000 0.279 389 C C 2.768 177.772 174.990 0.025 0.000 1.305 389 C CA 0.386 59.440 59.018 0.061 0.000 1.757 389 C CB -0.917 26.963 27.740 0.234 0.000 1.962 389 C HN 0.356 nan 8.230 nan 0.000 0.499 390 L N 0.557 121.770 121.223 -0.016 0.000 2.027 390 L HA -0.145 4.196 4.340 0.001 0.000 0.206 390 L C 2.691 179.550 176.870 -0.018 0.000 1.074 390 L CA 1.599 56.423 54.840 -0.026 0.000 0.745 390 L CB -0.691 41.339 42.059 -0.048 0.000 0.898 390 L HN 0.429 nan 8.230 nan 0.000 0.433 391 E N 0.281 120.466 120.200 -0.024 0.000 2.110 391 E HA -0.233 4.118 4.350 0.001 0.000 0.193 391 E C 1.700 178.287 176.600 -0.021 0.000 0.988 391 E CA 1.077 57.463 56.400 -0.023 0.000 0.804 391 E CB -0.111 29.571 29.700 -0.029 0.000 0.745 391 E HN 0.480 nan 8.360 nan 0.000 0.458 392 K N 0.648 121.033 120.400 -0.024 0.000 2.404 392 K HA 0.025 4.346 4.320 0.001 0.000 0.194 392 K C -0.360 176.240 176.600 -0.000 0.000 1.023 392 K CA 0.058 56.332 56.287 -0.021 0.000 1.094 392 K CB 0.286 32.758 32.500 -0.045 0.000 0.841 392 K HN 0.099 nan 8.250 nan 0.000 0.523 393 E N 0.459 120.664 120.200 0.008 0.000 2.269 393 E HA -0.207 4.143 4.350 0.001 0.000 0.223 393 E C -0.720 175.903 176.600 0.040 0.000 1.244 393 E CA 0.101 56.513 56.400 0.021 0.000 0.713 393 E CB -1.668 28.039 29.700 0.012 0.000 1.178 393 E HN 0.014 nan 8.360 nan 0.000 0.370 394 V N -0.112 119.841 119.914 0.065 0.000 2.960 394 V HA 0.784 4.905 4.120 0.001 0.000 0.315 394 V C -0.106 176.088 176.094 0.166 0.000 1.087 394 V CA -0.078 62.288 62.300 0.110 0.000 0.982 394 V CB 2.049 33.944 31.823 0.119 0.000 1.039 394 V HN 0.395 nan 8.190 nan 0.000 0.437 395 A N 2.605 125.521 122.820 0.161 0.000 2.356 395 A HA 0.916 5.236 4.320 0.001 0.000 0.323 395 A C -0.241 177.382 177.584 0.065 0.000 1.119 395 A CA -0.296 51.822 52.037 0.135 0.000 0.790 395 A CB 1.575 20.614 19.000 0.065 0.000 1.273 395 A HN 1.393 nan 8.150 nan 0.000 0.452 396 A N 1.431 124.207 122.820 -0.073 0.000 2.279 396 A HA 0.534 4.855 4.320 0.001 0.000 0.306 396 A C -0.323 177.050 177.584 -0.351 0.000 1.300 396 A CA -0.294 51.478 52.037 -0.442 0.000 0.925 396 A CB -0.353 18.337 19.000 -0.518 0.000 1.152 396 A HN 1.194 nan 8.150 nan 0.000 0.544 397 L N 3.481 124.499 121.223 -0.342 0.000 2.331 397 L HA 0.553 4.893 4.340 0.001 0.000 0.278 397 L C -0.403 176.365 176.870 -0.170 0.000 1.106 397 L CA 0.284 55.007 54.840 -0.195 0.000 0.824 397 L CB 0.414 42.383 42.059 -0.151 0.000 1.142 397 L HN 0.708 nan 8.230 nan 0.000 0.443 398 C N 4.066 123.322 119.300 -0.073 0.000 3.090 398 C HA 0.560 5.021 4.460 0.001 0.000 0.305 398 C C -0.187 174.837 174.990 0.057 0.000 1.292 398 C CA -1.097 57.898 59.018 -0.040 0.000 1.482 398 C CB 2.098 29.765 27.740 -0.121 0.000 1.897 398 C HN 0.834 nan 8.230 nan 0.000 0.469 399 R N 0.942 121.451 120.500 0.014 0.000 2.229 399 R HA 0.485 4.825 4.340 0.001 0.000 0.328 399 R C -1.630 174.663 176.300 -0.012 0.000 1.009 399 R CA -0.233 55.792 56.100 -0.126 0.000 0.864 399 R CB 0.578 30.780 30.300 -0.163 0.000 1.085 399 R HN 0.769 nan 8.270 nan 0.000 0.453 400 Y N 2.552 122.754 120.300 -0.162 0.000 2.352 400 Y HA 0.395 4.945 4.550 0.000 0.000 0.339 400 Y C -1.179 174.703 175.900 -0.030 0.000 0.992 400 Y CA -0.506 57.537 58.100 -0.095 0.000 1.100 400 Y CB 2.054 40.434 38.460 -0.133 0.000 1.192 400 Y HN 0.489 nan 8.280 nan 0.000 0.458 401 T N 9.254 123.578 114.554 -0.383 0.000 3.008 401 T HA 0.236 4.586 4.350 0.001 0.000 0.328 401 T C -2.296 172.105 174.700 -0.499 0.000 1.020 401 T CA -1.140 60.723 62.100 -0.394 0.000 1.043 401 T CB 1.588 70.368 68.868 -0.147 0.000 1.010 401 T HN 0.448 nan 8.240 nan 0.000 0.466 402 P HA -0.064 nan 4.420 nan 0.000 0.216 402 P C 0.431 177.648 177.300 -0.138 0.000 1.153 402 P CA 1.060 63.931 63.100 -0.381 0.000 0.848 402 P CB 0.315 31.844 31.700 -0.285 0.000 0.787 403 R N -3.338 117.091 120.500 -0.117 0.000 2.781 403 R HA 0.521 4.862 4.340 0.001 0.000 0.268 403 R C -0.695 175.578 176.300 -0.045 0.000 1.047 403 R CA -1.123 54.944 56.100 -0.056 0.000 0.925 403 R CB 0.892 31.171 30.300 -0.035 0.000 1.246 403 R HN -0.315 nan 8.270 nan 0.000 0.456 404 R N 1.209 121.695 120.500 -0.024 0.000 2.694 404 R HA 0.132 4.472 4.340 0.001 0.000 0.268 404 R C -0.401 175.898 176.300 -0.003 0.000 1.061 404 R CA -0.103 55.990 56.100 -0.012 0.000 1.133 404 R CB 0.054 30.348 30.300 -0.009 0.000 1.020 404 R HN 0.753 nan 8.270 nan 0.000 0.475 405 N N 0.717 119.422 118.700 0.010 0.000 2.727 405 N HA -0.220 4.520 4.740 0.001 0.000 0.251 405 N C -0.924 174.609 175.510 0.039 0.000 1.040 405 N CA 1.037 54.102 53.050 0.025 0.000 0.712 405 N CB -0.919 37.575 38.487 0.012 0.000 0.912 405 N HN 0.577 nan 8.380 nan 0.000 0.545 406 I N -0.478 120.122 120.570 0.050 0.000 2.607 406 I HA 0.385 4.555 4.170 0.001 0.000 0.290 406 I C -2.449 173.710 176.117 0.070 0.000 1.129 406 I CA -2.006 59.321 61.300 0.045 0.000 1.042 406 I CB 2.547 40.543 38.000 -0.007 0.000 1.242 406 I HN -0.224 nan 8.210 nan 0.000 0.421 407 P HA 0.213 nan 4.420 nan 0.000 0.269 407 P C -2.590 174.630 177.300 -0.133 0.000 1.215 407 P CA -0.739 62.297 63.100 -0.107 0.000 0.780 407 P CB -0.019 31.573 31.700 -0.180 0.000 0.898 408 P HA 0.207 nan 4.420 nan 0.000 0.276 408 P C -1.433 175.830 177.300 -0.063 0.000 1.244 408 P CA 0.035 63.024 63.100 -0.186 0.000 0.801 408 P CB 0.646 32.165 31.700 -0.301 0.000 1.006 409 Y N -0.051 120.207 120.300 -0.069 0.000 2.477 409 Y HA 0.414 4.966 4.550 0.002 0.000 0.347 409 Y C -0.020 175.725 175.900 -0.258 0.000 0.981 409 Y CA -0.567 57.507 58.100 -0.044 0.000 1.033 409 Y CB 1.584 40.172 38.460 0.213 0.000 1.245 409 Y HN 0.192 nan 8.280 nan 0.000 0.455 410 F N 3.975 123.798 119.950 -0.212 0.000 2.412 410 F HA 0.517 5.043 4.527 -0.001 0.000 0.348 410 F C 0.160 175.892 175.800 -0.112 0.000 1.102 410 F CA -0.407 57.493 58.000 -0.167 0.000 1.196 410 F CB 0.859 39.695 39.000 -0.274 0.000 1.144 410 F HN 0.209 nan 8.300 nan 0.000 0.541 411 V N 0.323 120.258 119.914 0.035 0.000 3.040 411 V HA 0.949 5.069 4.120 0.001 0.000 0.312 411 V C -0.969 175.060 176.094 -0.108 0.000 1.115 411 V CA -1.235 60.983 62.300 -0.137 0.000 0.998 411 V CB 1.507 33.067 31.823 -0.439 0.000 1.042 411 V HN 0.881 nan 8.190 nan 0.000 0.433 412 A N 3.809 126.563 122.820 -0.110 0.000 2.291 412 A HA 0.789 5.110 4.320 0.001 0.000 0.311 412 A C -0.494 177.042 177.584 -0.080 0.000 1.224 412 A CA -0.650 51.339 52.037 -0.081 0.000 0.821 412 A CB 0.624 19.607 19.000 -0.029 0.000 1.172 412 A HN 0.981 nan 8.150 nan 0.000 0.494 413 L N 3.768 124.924 121.223 -0.112 0.000 2.342 413 L HA 0.243 4.584 4.340 0.001 0.000 0.285 413 L C -0.527 176.444 176.870 0.168 0.000 1.095 413 L CA -0.450 54.356 54.840 -0.057 0.000 0.843 413 L CB 0.835 42.681 42.059 -0.356 0.000 1.201 413 L HN 0.415 nan 8.230 nan 0.000 0.445 414 V N 6.266 126.313 119.914 0.222 0.000 2.406 414 V HA 0.223 4.344 4.120 0.001 0.000 0.272 414 V C -1.748 174.486 176.094 0.233 0.000 1.043 414 V CA -1.702 60.726 62.300 0.214 0.000 0.915 414 V CB 1.164 33.064 31.823 0.128 0.000 0.988 414 V HN 0.593 nan 8.190 nan 0.000 0.466 415 P HA 0.009 nan 4.420 nan 0.000 0.262 415 P C -0.811 176.425 177.300 -0.107 0.000 1.182 415 P CA 0.149 63.135 63.100 -0.190 0.000 0.761 415 P CB 0.658 32.289 31.700 -0.115 0.000 0.795 416 Q N 1.956 121.664 119.800 -0.153 0.000 2.303 416 Q HA 0.222 4.563 4.340 0.001 0.000 0.267 416 Q C -0.750 175.242 176.000 -0.013 0.000 1.011 416 Q CA -0.569 55.227 55.803 -0.010 0.000 0.740 416 Q CB 1.435 30.243 28.738 0.117 0.000 1.250 416 Q HN 0.423 nan 8.270 nan 0.000 0.458 417 E N 3.019 123.210 120.200 -0.016 0.000 2.331 417 E HA 0.056 4.407 4.350 0.001 0.000 0.272 417 E C -0.685 175.921 176.600 0.010 0.000 1.036 417 E CA -0.271 56.124 56.400 -0.007 0.000 0.864 417 E CB 0.985 30.676 29.700 -0.015 0.000 1.035 417 E HN 0.612 nan 8.360 nan 0.000 0.408 418 E N 3.181 123.394 120.200 0.022 0.000 2.442 418 E HA -0.095 4.255 4.350 0.001 0.000 0.262 418 E C -0.747 175.852 176.600 -0.001 0.000 1.004 418 E CA 0.390 56.798 56.400 0.014 0.000 0.928 418 E CB 0.672 30.388 29.700 0.027 0.000 0.937 418 E HN 0.479 nan 8.360 nan 0.000 0.446 419 E N 4.492 124.684 120.200 -0.014 0.000 2.290 419 E HA 0.312 4.662 4.350 0.001 0.000 0.274 419 E C -1.490 175.101 176.600 -0.015 0.000 0.889 419 E CA -0.601 55.791 56.400 -0.014 0.000 0.760 419 E CB 0.993 30.682 29.700 -0.019 0.000 1.206 419 E HN 0.460 nan 8.360 nan 0.000 0.419 420 L N 3.507 124.727 121.223 -0.004 0.000 2.346 420 L HA 0.452 4.792 4.340 0.001 0.000 0.274 420 L C -0.008 176.862 176.870 0.000 0.000 1.007 420 L CA -1.066 53.777 54.840 0.006 0.000 0.818 420 L CB 1.505 43.577 42.059 0.023 0.000 1.284 420 L HN 0.666 nan 8.230 nan 0.000 0.424 421 D N -0.359 120.038 120.400 -0.005 0.000 2.507 421 D HA 0.052 4.693 4.640 0.001 0.000 0.280 421 D C 0.523 176.821 176.300 -0.004 0.000 1.219 421 D CA -0.424 53.566 54.000 -0.015 0.000 1.085 421 D CB 0.321 41.099 40.800 -0.038 0.000 1.134 421 D HN 0.619 nan 8.370 nan 0.000 0.583 422 D N -1.563 118.830 120.400 -0.013 0.000 2.263 422 D HA -0.194 4.447 4.640 0.001 0.000 0.208 422 D C 1.326 177.628 176.300 0.004 0.000 0.971 422 D CA 1.069 55.066 54.000 -0.004 0.000 0.867 422 D CB -0.256 40.536 40.800 -0.013 0.000 0.929 422 D HN 0.200 nan 8.370 nan 0.000 0.492 423 Q N -0.377 119.418 119.800 -0.009 0.000 2.425 423 Q HA 0.088 4.429 4.340 0.001 0.000 0.204 423 Q C 0.262 176.309 176.000 0.079 0.000 0.933 423 Q CA 0.257 56.056 55.803 -0.007 0.000 0.939 423 Q CB 0.372 29.057 28.738 -0.089 0.000 1.044 423 Q HN 0.215 nan 8.270 nan 0.000 0.513 424 K N -0.450 120.005 120.400 0.092 0.000 3.399 424 K HA -0.147 4.174 4.320 0.001 0.000 0.298 424 K C -0.238 176.520 176.600 0.264 0.000 1.326 424 K CA 0.336 56.721 56.287 0.162 0.000 0.874 424 K CB -2.368 30.258 32.500 0.210 0.000 1.403 424 K HN 0.275 nan 8.250 nan 0.000 0.492 425 I N 1.493 122.142 120.570 0.132 0.000 2.428 425 I HA 0.063 4.234 4.170 0.001 0.000 0.289 425 I C 1.310 177.471 176.117 0.073 0.000 1.019 425 I CA -0.195 61.169 61.300 0.107 0.000 1.351 425 I CB 0.895 38.812 38.000 -0.138 0.000 1.412 425 I HN 0.045 nan 8.210 nan 0.000 0.513 426 Q N 4.912 124.765 119.800 0.088 0.000 2.381 426 Q HA 0.114 4.454 4.340 0.001 0.000 0.243 426 Q C 0.447 176.419 176.000 -0.047 0.000 1.154 426 Q CA -0.224 55.581 55.803 0.004 0.000 0.899 426 Q CB 0.863 29.587 28.738 -0.023 0.000 1.396 426 Q HN 0.686 nan 8.270 nan 0.000 0.485 427 V N 2.813 122.696 119.914 -0.051 0.000 2.488 427 V HA -0.047 4.073 4.120 0.001 0.000 0.246 427 V C 0.512 176.552 176.094 -0.090 0.000 1.046 427 V CA 1.424 63.682 62.300 -0.071 0.000 1.053 427 V CB 0.563 32.351 31.823 -0.058 0.000 0.679 427 V HN 0.673 nan 8.190 nan 0.000 0.458 428 T N 2.298 116.800 114.554 -0.086 0.000 2.906 428 T HA 0.351 4.702 4.350 0.001 0.000 0.302 428 T C -2.809 171.817 174.700 -0.123 0.000 1.002 428 T CA -0.914 61.120 62.100 -0.109 0.000 0.988 428 T CB 2.252 71.083 68.868 -0.062 0.000 0.972 428 T HN 0.103 nan 8.240 nan 0.000 0.447 429 P HA 0.274 nan 4.420 nan 0.000 0.275 429 P C -2.820 174.484 177.300 0.007 0.000 1.227 429 P CA -1.797 61.172 63.100 -0.219 0.000 0.781 429 P CB 0.164 31.524 31.700 -0.567 0.000 0.906 430 P HA 0.292 nan 4.420 nan 0.000 0.281 430 P C 0.265 177.895 177.300 0.551 0.000 1.252 430 P CA 0.598 63.864 63.100 0.276 0.000 0.778 430 P CB 0.801 32.625 31.700 0.208 0.000 0.895 431 G N 2.403 111.440 108.800 0.395 0.000 2.513 431 G HA2 0.298 4.259 3.960 0.001 0.000 0.182 431 G HA3 0.298 4.259 3.960 0.001 0.000 0.182 431 G C -1.988 172.874 174.900 -0.063 0.000 1.190 431 G CA -0.628 44.678 45.100 0.342 0.000 0.987 431 G HN 0.299 nan 8.290 nan 0.000 0.479 432 F N 1.184 121.209 119.950 0.125 0.000 2.540 432 F HA 0.619 5.147 4.527 0.001 0.000 0.317 432 F C 0.369 176.242 175.800 0.123 0.000 1.104 432 F CA -0.549 57.493 58.000 0.070 0.000 0.913 432 F CB 2.545 41.518 39.000 -0.045 0.000 1.170 432 F HN 0.422 nan 8.300 nan 0.000 0.450 433 Q N 4.182 124.181 119.800 0.332 0.000 2.314 433 Q HA 0.329 4.669 4.340 0.001 0.000 0.257 433 Q C -0.985 175.109 176.000 0.157 0.000 0.975 433 Q CA -0.533 55.434 55.803 0.273 0.000 0.933 433 Q CB 1.025 29.889 28.738 0.210 0.000 1.195 433 Q HN 0.796 nan 8.270 nan 0.000 0.426 434 L N 5.832 127.107 121.223 0.087 0.000 2.363 434 L HA 0.266 4.607 4.340 0.001 0.000 0.286 434 L C -1.213 175.603 176.870 -0.090 0.000 1.106 434 L CA -0.478 54.299 54.840 -0.105 0.000 0.859 434 L CB 0.590 42.496 42.059 -0.255 0.000 1.223 434 L HN 0.425 nan 8.230 nan 0.000 0.446 435 V N 6.036 125.907 119.914 -0.071 0.000 2.333 435 V HA 0.230 4.351 4.120 0.001 0.000 0.274 435 V C 0.088 176.161 176.094 -0.034 0.000 1.028 435 V CA -0.399 61.916 62.300 0.026 0.000 0.851 435 V CB 0.788 32.653 31.823 0.070 0.000 1.000 435 V HN 0.441 nan 8.190 nan 0.000 0.456 436 F N 5.268 125.203 119.950 -0.025 0.000 2.529 436 F HA 0.334 4.861 4.527 -0.000 0.000 0.365 436 F C 0.455 176.248 175.800 -0.012 0.000 1.102 436 F CA 0.112 58.093 58.000 -0.032 0.000 1.271 436 F CB 0.496 39.430 39.000 -0.110 0.000 1.120 436 F HN 0.235 nan 8.300 nan 0.000 0.579 437 L N 6.090 127.429 121.223 0.194 0.000 2.307 437 L HA 0.449 4.790 4.340 0.001 0.000 0.284 437 L C -2.192 174.725 176.870 0.078 0.000 1.023 437 L CA -2.188 52.709 54.840 0.095 0.000 0.810 437 L CB 1.617 43.692 42.059 0.027 0.000 1.231 437 L HN 0.370 nan 8.230 nan 0.000 0.423 438 P HA 0.158 nan 4.420 nan 0.000 0.275 438 P C -0.819 176.438 177.300 -0.071 0.000 1.227 438 P CA -0.125 62.997 63.100 0.036 0.000 0.781 438 P CB 0.761 32.440 31.700 -0.036 0.000 0.906 439 F N 0.828 120.806 119.950 0.047 0.000 2.375 439 F HA 0.310 4.837 4.527 0.000 0.000 0.313 439 F C 2.157 177.940 175.800 -0.027 0.000 1.176 439 F CA -0.332 57.649 58.000 -0.031 0.000 1.142 439 F CB 0.357 39.285 39.000 -0.120 0.000 1.275 439 F HN 0.358 nan 8.300 nan 0.000 0.544 440 A N 0.539 123.483 122.820 0.206 0.000 1.986 440 A HA -0.235 4.086 4.320 0.001 0.000 0.220 440 A C 1.622 179.252 177.584 0.076 0.000 1.171 440 A CA 2.299 54.391 52.037 0.092 0.000 0.640 440 A CB -0.972 18.071 19.000 0.071 0.000 0.811 440 A HN 0.859 nan 8.150 nan 0.000 0.451 441 D N 0.426 120.884 120.400 0.096 0.000 2.218 441 D HA -0.098 4.543 4.640 0.001 0.000 0.204 441 D C 0.902 177.248 176.300 0.077 0.000 0.976 441 D CA 1.272 55.311 54.000 0.065 0.000 0.853 441 D CB -0.192 40.633 40.800 0.043 0.000 0.939 441 D HN 0.455 nan 8.370 nan 0.000 0.481 442 D N 0.291 120.756 120.400 0.108 0.000 2.355 442 D HA 0.003 4.644 4.640 0.001 0.000 0.218 442 D C 0.300 176.623 176.300 0.039 0.000 1.004 442 D CA 0.467 54.520 54.000 0.089 0.000 0.880 442 D CB 0.220 41.097 40.800 0.129 0.000 0.911 442 D HN 0.250 nan 8.370 nan 0.000 0.528 443 K N 0.930 121.344 120.400 0.022 0.000 2.143 443 K HA 0.434 4.754 4.320 0.001 0.000 0.272 443 K C 0.257 176.875 176.600 0.030 0.000 1.001 443 K CA -0.414 55.875 56.287 0.003 0.000 0.915 443 K CB 1.795 34.278 32.500 -0.029 0.000 1.047 443 K HN -0.224 nan 8.250 nan 0.000 0.458 444 R N 2.059 122.584 120.500 0.042 0.000 2.561 444 R HA 0.238 4.579 4.340 0.001 0.000 0.297 444 R C -0.648 175.688 176.300 0.061 0.000 0.969 444 R CA -1.064 55.066 56.100 0.049 0.000 0.879 444 R CB 1.781 32.111 30.300 0.048 0.000 1.178 444 R HN 0.338 nan 8.270 nan 0.000 0.445 445 K N 3.187 123.621 120.400 0.057 0.000 2.098 445 K HA 0.467 4.788 4.320 0.001 0.000 0.257 445 K C -0.561 176.080 176.600 0.068 0.000 0.999 445 K CA -0.266 56.063 56.287 0.070 0.000 0.924 445 K CB 0.921 33.457 32.500 0.060 0.000 1.028 445 K HN 0.620 nan 8.250 nan 0.000 0.466 446 M N 1.725 121.378 119.600 0.088 0.000 2.365 446 M HA 0.458 4.938 4.480 0.001 0.000 0.287 446 M C -2.689 173.668 176.300 0.096 0.000 1.154 446 M CA -1.839 53.510 55.300 0.082 0.000 0.941 446 M CB 1.722 34.377 32.600 0.090 0.000 1.704 446 M HN 0.396 nan 8.290 nan 0.000 0.479 447 P HA 0.459 nan 4.420 nan 0.000 0.275 447 P C -1.523 175.791 177.300 0.023 0.000 1.228 447 P CA -0.000 63.061 63.100 -0.065 0.000 0.786 447 P CB 0.397 32.045 31.700 -0.086 0.000 0.927 448 F N -1.066 118.894 119.950 0.016 0.000 2.551 448 F HA 0.643 5.171 4.527 0.002 0.000 0.316 448 F C 0.239 176.047 175.800 0.014 0.000 1.089 448 F CA -0.945 57.064 58.000 0.015 0.000 0.915 448 F CB 0.949 39.958 39.000 0.014 0.000 1.186 448 F HN 0.354 nan 8.300 nan 0.000 0.456 449 T N -1.083 113.598 114.554 0.212 0.000 2.880 449 T HA 0.399 4.749 4.350 0.001 0.000 0.279 449 T C -0.126 174.702 174.700 0.213 0.000 0.990 449 T CA -0.921 61.260 62.100 0.135 0.000 0.938 449 T CB 0.624 69.538 68.868 0.077 0.000 1.206 449 T HN 0.741 nan 8.240 nan 0.000 0.573 450 E N 0.786 121.066 120.200 0.134 0.000 2.508 450 E HA 0.009 4.360 4.350 0.001 0.000 0.266 450 E C -0.103 176.555 176.600 0.096 0.000 1.010 450 E CA 0.167 56.637 56.400 0.116 0.000 0.955 450 E CB 0.420 30.162 29.700 0.071 0.000 0.946 450 E HN 0.434 nan 8.360 nan 0.000 0.454 451 K N 3.569 124.010 120.400 0.068 0.000 2.316 451 K HA 0.184 4.505 4.320 0.001 0.000 0.289 451 K C -0.773 175.843 176.600 0.026 0.000 1.070 451 K CA -0.178 56.128 56.287 0.032 0.000 0.928 451 K CB 0.335 32.832 32.500 -0.004 0.000 1.039 451 K HN 0.405 nan 8.250 nan 0.000 0.480 452 I N 6.189 126.775 120.570 0.027 0.000 2.330 452 I HA 0.228 4.398 4.170 0.001 0.000 0.289 452 I C -0.114 176.012 176.117 0.014 0.000 1.001 452 I CA -0.567 60.745 61.300 0.021 0.000 1.193 452 I CB 1.473 39.489 38.000 0.027 0.000 1.345 452 I HN 0.646 nan 8.210 nan 0.000 0.461 453 M N 5.836 125.440 119.600 0.007 0.000 2.472 453 M HA 0.687 5.167 4.480 0.001 0.000 0.331 453 M C -0.311 175.990 176.300 0.000 0.000 1.170 453 M CA -0.349 54.953 55.300 0.004 0.000 1.009 453 M CB 1.781 34.381 32.600 -0.001 0.000 1.672 453 M HN 0.632 nan 8.290 nan 0.000 0.453 454 A N 1.841 124.663 122.820 0.003 0.000 2.304 454 A HA 0.599 4.920 4.320 0.001 0.000 0.271 454 A C 0.041 177.620 177.584 -0.008 0.000 1.091 454 A CA -0.315 51.719 52.037 -0.004 0.000 0.812 454 A CB 0.189 19.198 19.000 0.015 0.000 1.056 454 A HN 0.845 nan 8.150 nan 0.000 0.489 455 T N -0.850 113.693 114.554 -0.019 0.000 2.874 455 T HA 0.447 4.798 4.350 0.001 0.000 0.281 455 T C -1.631 173.064 174.700 -0.007 0.000 0.994 455 T CA -1.174 60.916 62.100 -0.016 0.000 1.015 455 T CB 0.914 69.766 68.868 -0.027 0.000 1.028 455 T HN 0.446 nan 8.240 nan 0.000 0.523 456 P HA -0.155 nan 4.420 nan 0.000 0.218 456 P C 1.257 178.559 177.300 0.004 0.000 1.148 456 P CA 1.247 64.348 63.100 0.001 0.000 0.822 456 P CB 0.186 31.885 31.700 -0.002 0.000 0.784 457 E N 0.182 120.379 120.200 -0.005 0.000 2.106 457 E HA -0.203 4.147 4.350 0.001 0.000 0.192 457 E C 2.206 178.808 176.600 0.003 0.000 0.984 457 E CA 1.018 57.415 56.400 -0.006 0.000 0.806 457 E CB -0.198 29.490 29.700 -0.020 0.000 0.750 457 E HN 0.275 nan 8.360 nan 0.000 0.458 458 Q N -0.259 119.536 119.800 -0.009 0.000 2.083 458 Q HA -0.080 4.260 4.340 0.001 0.000 0.198 458 Q C 2.328 178.402 176.000 0.124 0.000 0.969 458 Q CA 1.342 57.150 55.803 0.007 0.000 0.838 458 Q CB 0.169 28.862 28.738 -0.076 0.000 0.900 458 Q HN 0.177 nan 8.270 nan 0.000 0.436 459 V N 0.747 120.707 119.914 0.076 0.000 2.407 459 V HA -0.215 3.905 4.120 0.001 0.000 0.248 459 V C 2.151 178.280 176.094 0.058 0.000 1.055 459 V CA 1.976 64.320 62.300 0.072 0.000 1.049 459 V CB -1.079 30.765 31.823 0.035 0.000 0.662 459 V HN 0.552 nan 8.190 nan 0.000 0.455 460 G N -0.574 108.254 108.800 0.047 0.000 2.421 460 G HA2 -0.219 3.741 3.960 0.001 0.000 0.216 460 G HA3 -0.219 3.741 3.960 0.001 0.000 0.216 460 G C 1.688 176.616 174.900 0.047 0.000 1.171 460 G CA 0.539 45.660 45.100 0.034 0.000 0.775 460 G HN 0.311 nan 8.290 nan 0.000 0.543 461 K N -0.252 120.200 120.400 0.087 0.000 2.063 461 K HA -0.025 4.296 4.320 0.001 0.000 0.208 461 K C 2.405 179.046 176.600 0.068 0.000 1.048 461 K CA 1.177 57.535 56.287 0.118 0.000 0.928 461 K CB -0.478 32.165 32.500 0.238 0.000 0.713 461 K HN 0.359 nan 8.250 nan 0.000 0.442 462 M N 1.486 121.125 119.600 0.066 0.000 2.175 462 M HA -0.107 4.374 4.480 0.001 0.000 0.264 462 M C 1.651 177.904 176.300 -0.078 0.000 1.063 462 M CA 1.655 56.882 55.300 -0.121 0.000 1.119 462 M CB -0.149 32.396 32.600 -0.092 0.000 1.377 462 M HN -0.034 nan 8.290 nan 0.000 0.415 463 K N -0.427 119.960 120.400 -0.022 0.000 2.032 463 K HA -0.130 4.190 4.320 0.001 0.000 0.209 463 K C 1.959 178.546 176.600 -0.022 0.000 1.048 463 K CA 1.594 57.870 56.287 -0.019 0.000 0.927 463 K CB -0.477 32.020 32.500 -0.004 0.000 0.712 463 K HN 0.466 nan 8.250 nan 0.000 0.441 464 A N 1.230 124.041 122.820 -0.015 0.000 1.933 464 A HA -0.157 4.163 4.320 0.001 0.000 0.218 464 A C 2.075 179.643 177.584 -0.027 0.000 1.175 464 A CA 1.337 53.366 52.037 -0.013 0.000 0.628 464 A CB -0.531 18.468 19.000 -0.001 0.000 0.814 464 A HN 0.204 nan 8.150 nan 0.000 0.444 465 I N -0.791 119.746 120.570 -0.056 0.000 2.286 465 I HA -0.174 3.997 4.170 0.001 0.000 0.245 465 I C 2.332 178.413 176.117 -0.060 0.000 1.104 465 I CA 0.867 62.120 61.300 -0.079 0.000 1.397 465 I CB -0.276 37.627 38.000 -0.162 0.000 1.072 465 I HN 0.143 nan 8.210 nan 0.000 0.417 466 V N 0.706 120.583 119.914 -0.062 0.000 2.332 466 V HA -0.316 3.805 4.120 0.001 0.000 0.248 466 V C 2.350 178.441 176.094 -0.005 0.000 1.055 466 V CA 2.014 64.294 62.300 -0.034 0.000 1.038 466 V CB -0.577 31.225 31.823 -0.035 0.000 0.651 466 V HN 0.419 nan 8.190 nan 0.000 0.450 467 E N -0.628 119.567 120.200 -0.008 0.000 2.204 467 E HA -0.178 4.172 4.350 0.001 0.000 0.194 467 E C 2.256 178.864 176.600 0.013 0.000 0.989 467 E CA 0.641 57.044 56.400 0.005 0.000 0.824 467 E CB 0.056 29.756 29.700 -0.000 0.000 0.756 467 E HN 0.342 nan 8.360 nan 0.000 0.477 468 K N -0.009 120.394 120.400 0.005 0.000 2.103 468 K HA -0.025 4.296 4.320 0.001 0.000 0.204 468 K C 1.256 177.870 176.600 0.023 0.000 1.052 468 K CA 0.777 57.069 56.287 0.009 0.000 0.945 468 K CB 0.078 32.575 32.500 -0.004 0.000 0.722 468 K HN 0.220 nan 8.250 nan 0.000 0.443 469 L N 1.337 122.577 121.223 0.029 0.000 2.912 469 L HA 0.226 4.566 4.340 0.001 0.000 0.240 469 L C 0.624 177.576 176.870 0.137 0.000 1.262 469 L CA -0.361 54.512 54.840 0.054 0.000 1.058 469 L CB -0.002 42.072 42.059 0.025 0.000 1.383 469 L HN -0.026 nan 8.230 nan 0.000 0.512 470 R N 1.836 122.413 120.500 0.129 0.000 2.539 470 R HA 0.497 4.838 4.340 0.001 0.000 0.275 470 R C -0.797 175.673 176.300 0.283 0.000 1.077 470 R CA -0.112 56.087 56.100 0.166 0.000 1.097 470 R CB 0.751 31.095 30.300 0.074 0.000 1.018 470 R HN 0.132 nan 8.270 nan 0.000 0.483 471 F N -1.424 118.546 119.950 0.033 0.000 2.773 471 F HA 0.355 4.882 4.527 0.001 0.000 0.314 471 F C -1.543 174.294 175.800 0.062 0.000 1.160 471 F CA -1.059 56.966 58.000 0.042 0.000 0.920 471 F CB 1.484 40.516 39.000 0.054 0.000 1.323 471 F HN 0.269 nan 8.300 nan 0.000 0.457 472 T N 2.597 117.095 114.554 -0.093 0.000 2.727 472 T HA 0.215 4.566 4.350 0.001 0.000 0.298 472 T C -1.180 173.375 174.700 -0.243 0.000 0.942 472 T CA -0.063 61.918 62.100 -0.199 0.000 0.997 472 T CB -0.089 68.748 68.868 -0.051 0.000 0.917 472 T HN 0.571 nan 8.240 nan 0.000 0.487 473 Y N 4.041 124.033 120.300 -0.513 0.000 2.319 473 Y HA 0.498 5.049 4.550 0.001 0.000 0.328 473 Y C 0.236 176.092 175.900 -0.073 0.000 1.133 473 Y CA -0.938 57.008 58.100 -0.257 0.000 1.265 473 Y CB 0.599 38.894 38.460 -0.276 0.000 1.218 473 Y HN 0.516 nan 8.280 nan 0.000 0.508 474 R N 2.954 122.938 120.500 -0.861 0.000 2.538 474 R HA 0.200 4.540 4.340 0.001 0.000 0.292 474 R C 0.776 176.551 176.300 -0.875 0.000 1.008 474 R CA -0.033 55.660 56.100 -0.679 0.000 0.896 474 R CB 1.749 31.854 30.300 -0.326 0.000 1.187 474 R HN 0.863 nan 8.270 nan 0.000 0.440 475 S N 0.365 115.704 115.700 -0.603 0.000 2.461 475 S HA -0.214 4.257 4.470 0.001 0.000 0.246 475 S C 0.856 175.394 174.600 -0.104 0.000 1.007 475 S CA 1.745 59.789 58.200 -0.259 0.000 0.976 475 S CB -0.300 62.862 63.200 -0.062 0.000 0.763 475 S HN 0.772 nan 8.310 nan 0.000 0.508 476 D N -0.064 120.246 120.400 -0.150 0.000 2.559 476 D HA 0.311 4.952 4.640 0.001 0.000 0.234 476 D C 0.740 176.970 176.300 -0.116 0.000 1.226 476 D CA -0.262 53.689 54.000 -0.082 0.000 0.830 476 D CB -0.027 40.720 40.800 -0.088 0.000 1.028 476 D HN 0.281 nan 8.370 nan 0.000 0.492 477 S N -0.612 114.982 115.700 -0.177 0.000 2.478 477 S HA 0.187 4.658 4.470 0.001 0.000 0.222 477 S C 0.073 174.362 174.600 -0.518 0.000 1.008 477 S CA -0.044 57.926 58.200 -0.383 0.000 0.928 477 S CB -0.130 62.732 63.200 -0.564 0.000 0.781 477 S HN 0.249 nan 8.310 nan 0.000 0.518 478 F N 1.850 121.814 119.950 0.024 0.000 2.480 478 F HA 0.513 5.041 4.527 0.002 0.000 0.329 478 F C 0.455 176.269 175.800 0.024 0.000 1.091 478 F CA -1.043 56.979 58.000 0.036 0.000 0.972 478 F CB 1.118 40.160 39.000 0.070 0.000 1.150 478 F HN -0.124 nan 8.300 nan 0.000 0.467 479 E N 0.705 121.016 120.200 0.186 0.000 2.212 479 E HA 0.179 4.530 4.350 0.001 0.000 0.270 479 E C -0.797 175.880 176.600 0.129 0.000 0.956 479 E CA -1.103 55.367 56.400 0.117 0.000 0.825 479 E CB 1.236 30.975 29.700 0.065 0.000 1.167 479 E HN 0.344 nan 8.360 nan 0.000 0.400 480 N N 2.902 121.664 118.700 0.103 0.000 2.402 480 N HA 0.067 4.808 4.740 0.001 0.000 0.259 480 N C -2.034 173.533 175.510 0.093 0.000 1.167 480 N CA -1.793 51.313 53.050 0.094 0.000 0.949 480 N CB 0.863 39.402 38.487 0.087 0.000 1.212 480 N HN 0.206 nan 8.380 nan 0.000 0.493 481 P HA -0.213 nan 4.420 nan 0.000 0.217 481 P C 1.380 178.728 177.300 0.081 0.000 1.158 481 P CA 1.037 64.182 63.100 0.075 0.000 0.887 481 P CB 0.367 32.103 31.700 0.060 0.000 0.792 482 V N -0.897 119.061 119.914 0.074 0.000 2.295 482 V HA -0.224 3.896 4.120 0.001 0.000 0.246 482 V C 2.498 178.662 176.094 0.117 0.000 1.049 482 V CA 1.639 63.982 62.300 0.072 0.000 1.024 482 V CB -1.234 30.615 31.823 0.043 0.000 0.648 482 V HN 0.089 nan 8.190 nan 0.000 0.447 483 L N -0.564 120.747 121.223 0.147 0.000 2.027 483 L HA -0.169 4.171 4.340 0.001 0.000 0.206 483 L C 2.906 179.990 176.870 0.356 0.000 1.074 483 L CA 1.387 56.386 54.840 0.265 0.000 0.745 483 L CB -0.564 41.644 42.059 0.249 0.000 0.898 483 L HN 0.343 nan 8.230 nan 0.000 0.433 484 Q N -0.382 119.556 119.800 0.230 0.000 2.077 484 Q HA -0.305 4.035 4.340 0.001 0.000 0.206 484 Q C 2.088 178.202 176.000 0.190 0.000 0.989 484 Q CA 1.790 57.712 55.803 0.199 0.000 0.853 484 Q CB -0.459 28.348 28.738 0.115 0.000 0.907 484 Q HN 0.394 nan 8.270 nan 0.000 0.418 485 Q N -0.109 119.776 119.800 0.143 0.000 2.124 485 Q HA -0.174 4.167 4.340 0.001 0.000 0.202 485 Q C 1.874 177.927 176.000 0.089 0.000 0.977 485 Q CA 1.947 57.809 55.803 0.098 0.000 0.850 485 Q CB -0.435 28.348 28.738 0.075 0.000 0.901 485 Q HN 0.574 nan 8.270 nan 0.000 0.429 486 H N -1.114 117.959 119.070 0.005 0.000 2.353 486 H HA -0.107 4.449 4.556 0.001 0.000 0.300 486 H C 1.131 176.312 175.328 -0.245 0.000 1.090 486 H CA 2.112 58.074 56.048 -0.144 0.000 1.327 486 H CB -0.291 29.328 29.762 -0.239 0.000 1.383 486 H HN 0.341 nan 8.280 nan 0.000 0.508 487 F N -0.398 119.525 119.950 -0.046 0.000 2.416 487 F HA 0.046 4.573 4.527 0.001 0.000 0.296 487 F C 2.401 178.155 175.800 -0.077 0.000 1.099 487 F CA 0.242 58.182 58.000 -0.099 0.000 1.427 487 F CB 0.028 39.028 39.000 -0.000 0.000 1.079 487 F HN 0.015 nan 8.300 nan 0.000 0.536 488 R N 0.606 121.168 120.500 0.103 0.000 2.081 488 R HA -0.104 4.236 4.340 0.001 0.000 0.235 488 R C 1.790 178.083 176.300 -0.012 0.000 1.131 488 R CA 0.995 57.125 56.100 0.050 0.000 0.960 488 R CB -1.175 29.151 30.300 0.045 0.000 0.856 488 R HN 0.275 nan 8.270 nan 0.000 0.436 489 N N 0.957 119.618 118.700 -0.064 0.000 2.120 489 N HA -0.107 4.633 4.740 0.001 0.000 0.188 489 N C 1.970 177.404 175.510 -0.127 0.000 1.024 489 N CA 0.977 53.969 53.050 -0.097 0.000 0.852 489 N CB -0.317 38.098 38.487 -0.119 0.000 1.003 489 N HN 0.201 nan 8.380 nan 0.000 0.424 490 L N 1.012 122.108 121.223 -0.213 0.000 2.083 490 L HA -0.127 4.214 4.340 0.001 0.000 0.209 490 L C 2.139 178.975 176.870 -0.057 0.000 1.083 490 L CA 1.090 55.827 54.840 -0.173 0.000 0.752 490 L CB -0.403 41.506 42.059 -0.250 0.000 0.899 490 L HN 0.177 nan 8.230 nan 0.000 0.433 491 E N 0.313 120.503 120.200 -0.017 0.000 2.058 491 E HA -0.233 4.117 4.350 0.001 0.000 0.194 491 E C 2.314 178.911 176.600 -0.004 0.000 0.997 491 E CA 1.390 57.797 56.400 0.012 0.000 0.801 491 E CB -0.181 29.536 29.700 0.028 0.000 0.746 491 E HN 0.481 nan 8.360 nan 0.000 0.450 492 A N 0.540 123.351 122.820 -0.014 0.000 1.972 492 A HA -0.160 4.160 4.320 0.001 0.000 0.219 492 A C 2.112 179.687 177.584 -0.016 0.000 1.169 492 A CA 1.117 53.145 52.037 -0.014 0.000 0.635 492 A CB -0.475 18.515 19.000 -0.017 0.000 0.810 492 A HN 0.157 nan 8.150 nan 0.000 0.446 493 L N -1.356 119.852 121.223 -0.024 0.000 2.131 493 L HA -0.039 4.302 4.340 0.001 0.000 0.206 493 L C 2.968 179.833 176.870 -0.009 0.000 1.087 493 L CA 0.863 55.691 54.840 -0.020 0.000 0.767 493 L CB -0.373 41.666 42.059 -0.033 0.000 0.917 493 L HN 0.398 nan 8.230 nan 0.000 0.441 494 A N -0.354 122.463 122.820 -0.005 0.000 2.016 494 A HA 0.018 4.339 4.320 0.001 0.000 0.217 494 A C 1.993 179.584 177.584 0.011 0.000 1.162 494 A CA 0.982 53.024 52.037 0.008 0.000 0.662 494 A CB -0.247 18.764 19.000 0.019 0.000 0.812 494 A HN 0.387 nan 8.150 nan 0.000 0.450 495 L N -1.519 119.707 121.223 0.006 0.000 2.693 495 L HA 0.169 4.510 4.340 0.001 0.000 0.235 495 L C -0.153 176.717 176.870 0.001 0.000 1.127 495 L CA 0.003 54.846 54.840 0.005 0.000 0.914 495 L CB -0.040 42.020 42.059 0.002 0.000 1.193 495 L HN 0.227 nan 8.230 nan 0.000 0.502 496 D N 1.184 121.584 120.400 -0.001 0.000 2.705 496 D HA -0.163 4.478 4.640 0.001 0.000 0.240 496 D C -0.015 176.282 176.300 -0.005 0.000 1.137 496 D CA 0.599 54.598 54.000 -0.003 0.000 0.677 496 D CB -0.745 40.056 40.800 0.000 0.000 1.049 496 D HN 0.136 nan 8.370 nan 0.000 0.427 497 L N -0.379 120.840 121.223 -0.007 0.000 2.476 497 L HA 0.214 4.554 4.340 0.001 0.000 0.255 497 L C 2.278 179.144 176.870 -0.008 0.000 1.218 497 L CA -0.647 54.188 54.840 -0.008 0.000 0.819 497 L CB 0.223 42.276 42.059 -0.009 0.000 1.119 497 L HN 0.108 nan 8.230 nan 0.000 0.485 498 M N 0.049 119.644 119.600 -0.008 0.000 2.175 498 M HA -0.093 4.388 4.480 0.001 0.000 0.264 498 M C 0.178 176.473 176.300 -0.007 0.000 1.063 498 M CA 1.558 56.853 55.300 -0.007 0.000 1.119 498 M CB -0.147 32.449 32.600 -0.008 0.000 1.377 498 M HN 0.654 nan 8.290 nan 0.000 0.415 499 E N -0.798 119.398 120.200 -0.007 0.000 2.390 499 E HA 0.408 4.758 4.350 0.001 0.000 0.280 499 E C -2.876 173.720 176.600 -0.007 0.000 0.992 499 E CA -2.148 54.248 56.400 -0.007 0.000 0.790 499 E CB 0.818 30.515 29.700 -0.005 0.000 1.248 499 E HN -0.182 nan 8.360 nan 0.000 0.447 500 P HA 0.057 nan 4.420 nan 0.000 0.271 500 P C -0.641 176.658 177.300 -0.001 0.000 1.233 500 P CA -0.070 63.026 63.100 -0.007 0.000 0.764 500 P CB 0.585 32.279 31.700 -0.009 0.000 0.825 501 E N 2.966 123.166 120.200 0.001 0.000 2.437 501 E HA -0.060 4.291 4.350 0.001 0.000 0.263 501 E C -0.399 176.207 176.600 0.009 0.000 1.030 501 E CA -0.054 56.349 56.400 0.004 0.000 0.934 501 E CB 0.412 30.115 29.700 0.006 0.000 0.943 501 E HN 0.310 nan 8.360 nan 0.000 0.444 502 Q N 1.695 121.501 119.800 0.009 0.000 2.325 502 Q HA 0.381 4.722 4.340 0.001 0.000 0.262 502 Q C -0.632 175.379 176.000 0.018 0.000 0.968 502 Q CA -0.498 55.313 55.803 0.014 0.000 0.877 502 Q CB 1.808 30.552 28.738 0.010 0.000 1.253 502 Q HN 0.593 nan 8.270 nan 0.000 0.448 503 A N 2.424 125.261 122.820 0.028 0.000 2.425 503 A HA 0.336 4.657 4.320 0.001 0.000 0.242 503 A C -0.019 177.581 177.584 0.027 0.000 1.077 503 A CA -0.366 51.690 52.037 0.032 0.000 0.781 503 A CB 0.513 19.543 19.000 0.049 0.000 1.020 503 A HN 0.487 nan 8.150 nan 0.000 0.494 504 V N 3.206 123.135 119.914 0.024 0.000 2.348 504 V HA 0.106 4.226 4.120 0.001 0.000 0.270 504 V C 0.177 176.292 176.094 0.034 0.000 1.037 504 V CA -0.485 61.828 62.300 0.021 0.000 0.872 504 V CB 1.006 32.835 31.823 0.009 0.000 1.002 504 V HN 0.900 nan 8.190 nan 0.000 0.464 505 D N 4.703 125.125 120.400 0.038 0.000 2.346 505 D HA 0.079 4.720 4.640 0.001 0.000 0.267 505 D C 0.940 177.280 176.300 0.067 0.000 1.320 505 D CA 0.187 54.219 54.000 0.053 0.000 0.951 505 D CB 0.984 41.810 40.800 0.043 0.000 1.079 505 D HN 0.496 nan 8.370 nan 0.000 0.509 506 L N 2.937 124.220 121.223 0.101 0.000 2.610 506 L HA -0.035 4.305 4.340 0.001 0.000 0.232 506 L C 2.287 179.320 176.870 0.272 0.000 1.149 506 L CA 0.628 55.553 54.840 0.141 0.000 0.872 506 L CB -0.293 41.837 42.059 0.118 0.000 0.992 506 L HN 0.410 nan 8.230 nan 0.000 0.447 507 T N -3.011 111.654 114.554 0.186 0.000 3.065 507 T HA 0.144 4.495 4.350 0.001 0.000 0.252 507 T C 0.749 175.479 174.700 0.051 0.000 1.099 507 T CA -0.101 62.065 62.100 0.110 0.000 1.063 507 T CB -0.052 68.832 68.868 0.027 0.000 0.948 507 T HN 0.073 nan 8.240 nan 0.000 0.506 508 L N 2.684 123.939 121.223 0.053 0.000 2.331 508 L HA 0.414 4.754 4.340 0.001 0.000 0.278 508 L C -2.134 174.746 176.870 0.016 0.000 1.106 508 L CA -2.238 52.616 54.840 0.024 0.000 0.824 508 L CB 0.589 42.660 42.059 0.020 0.000 1.142 508 L HN 0.076 nan 8.230 nan 0.000 0.443 509 P HA 0.074 nan 4.420 nan 0.000 0.271 509 P C -0.980 176.310 177.300 -0.017 0.000 1.216 509 P CA -0.304 62.786 63.100 -0.017 0.000 0.776 509 P CB 0.370 32.057 31.700 -0.022 0.000 0.881 510 K N 2.177 122.560 120.400 -0.029 0.000 2.278 510 K HA 0.109 4.430 4.320 0.001 0.000 0.237 510 K C 1.040 177.627 176.600 -0.021 0.000 1.229 510 K CA -0.320 55.952 56.287 -0.025 0.000 1.155 510 K CB -0.386 32.093 32.500 -0.036 0.000 1.590 510 K HN 0.139 nan 8.250 nan 0.000 0.290 511 V N 1.484 121.390 119.914 -0.014 0.000 2.218 511 V HA -0.368 3.752 4.120 0.001 0.000 0.251 511 V C 1.978 178.068 176.094 -0.007 0.000 1.057 511 V CA 2.042 64.336 62.300 -0.009 0.000 1.022 511 V CB -0.307 31.514 31.823 -0.003 0.000 0.645 511 V HN 0.597 nan 8.190 nan 0.000 0.451 512 E N -0.010 120.187 120.200 -0.005 0.000 2.086 512 E HA -0.236 4.115 4.350 0.001 0.000 0.200 512 E C 2.215 178.812 176.600 -0.006 0.000 1.012 512 E CA 1.808 58.206 56.400 -0.004 0.000 0.812 512 E CB -0.800 28.898 29.700 -0.003 0.000 0.743 512 E HN 0.614 nan 8.360 nan 0.000 0.453 513 A N 0.269 123.083 122.820 -0.010 0.000 1.883 513 A HA -0.252 4.069 4.320 0.001 0.000 0.217 513 A C 2.251 179.828 177.584 -0.012 0.000 1.186 513 A CA 2.094 54.124 52.037 -0.012 0.000 0.624 513 A CB -0.599 18.390 19.000 -0.018 0.000 0.822 513 A HN 0.232 nan 8.150 nan 0.000 0.444 514 M N -0.435 119.155 119.600 -0.016 0.000 2.108 514 M HA -0.193 4.287 4.480 0.001 0.000 0.261 514 M C 1.911 178.205 176.300 -0.011 0.000 1.066 514 M CA 1.614 56.904 55.300 -0.017 0.000 1.107 514 M CB -0.647 31.940 32.600 -0.022 0.000 1.356 514 M HN 0.416 nan 8.290 nan 0.000 0.406 515 N N 0.603 119.299 118.700 -0.006 0.000 2.069 515 N HA -0.174 4.567 4.740 0.001 0.000 0.191 515 N C 1.552 177.062 175.510 0.000 0.000 1.031 515 N CA 1.246 54.295 53.050 -0.001 0.000 0.852 515 N CB -0.488 38.001 38.487 0.004 0.000 1.018 515 N HN 0.370 nan 8.380 nan 0.000 0.423 516 K N 1.135 121.535 120.400 -0.001 0.000 2.057 516 K HA -0.061 4.259 4.320 0.001 0.000 0.207 516 K C 2.094 178.694 176.600 -0.000 0.000 1.049 516 K CA 0.942 57.230 56.287 0.000 0.000 0.931 516 K CB 0.009 32.508 32.500 -0.000 0.000 0.714 516 K HN 0.023 nan 8.250 nan 0.000 0.440 517 R N 0.466 120.965 120.500 -0.003 0.000 2.127 517 R HA -0.074 4.267 4.340 0.001 0.000 0.238 517 R C 2.167 178.465 176.300 -0.003 0.000 1.134 517 R CA 1.190 57.288 56.100 -0.002 0.000 0.975 517 R CB -0.052 30.246 30.300 -0.003 0.000 0.865 517 R HN 0.242 nan 8.270 nan 0.000 0.447 518 L N -0.836 120.384 121.223 -0.005 0.000 2.375 518 L HA 0.160 4.501 4.340 0.001 0.000 0.215 518 L C 1.627 178.497 176.870 -0.001 0.000 1.108 518 L CA 0.392 55.227 54.840 -0.007 0.000 0.830 518 L CB -0.374 41.677 42.059 -0.014 0.000 0.959 518 L HN 0.503 nan 8.230 nan 0.000 0.457 519 G N 0.999 109.801 108.800 0.003 0.000 2.622 519 G HA2 -0.447 3.513 3.960 0.001 0.000 0.307 519 G HA3 -0.447 3.513 3.960 0.001 0.000 0.307 519 G C 0.912 175.819 174.900 0.012 0.000 1.226 519 G CA 0.766 45.870 45.100 0.007 0.000 0.997 519 G HN 0.421 nan 8.290 nan 0.000 0.551 520 S N 0.352 116.060 115.700 0.014 0.000 2.558 520 S HA 0.323 4.794 4.470 0.001 0.000 0.217 520 S C 2.379 176.994 174.600 0.026 0.000 0.975 520 S CA 1.088 59.300 58.200 0.019 0.000 0.912 520 S CB 0.077 63.287 63.200 0.017 0.000 0.776 520 S HN 0.651 nan 8.310 nan 0.000 0.526 521 L N 1.065 122.301 121.223 0.021 0.000 2.129 521 L HA -0.125 4.216 4.340 0.001 0.000 0.212 521 L C 2.487 179.389 176.870 0.053 0.000 1.087 521 L CA 1.067 55.924 54.840 0.028 0.000 0.757 521 L CB -0.845 41.216 42.059 0.004 0.000 0.896 521 L HN 0.278 nan 8.230 nan 0.000 0.434 522 V N -0.579 119.358 119.914 0.040 0.000 2.270 522 V HA -0.267 3.853 4.120 0.001 0.000 0.245 522 V C 2.117 178.267 176.094 0.094 0.000 1.043 522 V CA 1.914 64.252 62.300 0.063 0.000 1.014 522 V CB -0.502 31.346 31.823 0.042 0.000 0.645 522 V HN 0.410 nan 8.190 nan 0.000 0.447 523 D N -0.181 120.257 120.400 0.063 0.000 2.149 523 D HA -0.170 4.471 4.640 0.001 0.000 0.198 523 D C 2.201 178.525 176.300 0.040 0.000 0.990 523 D CA 1.289 55.320 54.000 0.052 0.000 0.839 523 D CB -0.085 40.738 40.800 0.038 0.000 0.948 523 D HN 0.571 nan 8.370 nan 0.000 0.460 524 E N -0.236 119.993 120.200 0.048 0.000 2.031 524 E HA -0.159 4.192 4.350 0.001 0.000 0.193 524 E C 1.912 178.530 176.600 0.029 0.000 0.994 524 E CA 0.520 56.941 56.400 0.035 0.000 0.800 524 E CB -0.216 29.511 29.700 0.044 0.000 0.752 524 E HN 0.181 nan 8.360 nan 0.000 0.447 525 F N 2.058 121.957 119.950 -0.084 0.000 2.091 525 F HA -0.245 4.282 4.527 0.001 0.000 0.299 525 F C 1.922 177.599 175.800 -0.205 0.000 1.103 525 F CA 1.670 59.590 58.000 -0.133 0.000 1.228 525 F CB -0.003 38.915 39.000 -0.136 0.000 0.984 525 F HN -0.168 nan 8.300 nan 0.000 0.477 526 K N -0.080 120.233 120.400 -0.146 0.000 2.032 526 K HA -0.217 4.104 4.320 0.001 0.000 0.209 526 K C 2.110 178.570 176.600 -0.235 0.000 1.048 526 K CA 1.774 57.900 56.287 -0.269 0.000 0.927 526 K CB -0.388 32.100 32.500 -0.020 0.000 0.712 526 K HN 0.356 nan 8.250 nan 0.000 0.441 527 E N 0.693 120.813 120.200 -0.133 0.000 2.153 527 E HA -0.153 4.198 4.350 0.001 0.000 0.194 527 E C 1.891 178.400 176.600 -0.153 0.000 0.988 527 E CA 0.856 57.197 56.400 -0.099 0.000 0.811 527 E CB 0.037 29.705 29.700 -0.053 0.000 0.746 527 E HN 0.310 nan 8.360 nan 0.000 0.466 528 L N -0.208 120.872 121.223 -0.239 0.000 2.418 528 L HA -0.060 4.280 4.340 0.001 0.000 0.218 528 L C 1.893 178.554 176.870 -0.348 0.000 1.125 528 L CA 0.239 54.922 54.840 -0.262 0.000 0.835 528 L CB 0.315 42.212 42.059 -0.272 0.000 0.953 528 L HN -0.010 nan 8.230 nan 0.000 0.454 529 V N -2.859 116.761 119.914 -0.490 0.000 3.058 529 V HA 0.030 4.151 4.120 0.001 0.000 0.233 529 V C 0.382 176.339 176.094 -0.229 0.000 1.255 529 V CA -0.176 61.829 62.300 -0.492 0.000 1.267 529 V CB 0.173 31.437 31.823 -0.933 0.000 1.049 529 V HN 0.073 nan 8.190 nan 0.000 0.486 530 Y N 1.904 122.024 120.300 -0.299 0.000 2.350 530 Y HA 0.400 4.951 4.550 0.001 0.000 0.340 530 Y C -2.147 173.656 175.900 -0.162 0.000 1.006 530 Y CA -2.618 55.297 58.100 -0.309 0.000 1.166 530 Y CB 0.681 38.969 38.460 -0.286 0.000 1.168 530 Y HN 0.198 nan 8.280 nan 0.000 0.502 531 P HA -0.021 nan 4.420 nan 0.000 0.268 531 P C -1.775 175.583 177.300 0.097 0.000 1.205 531 P CA -1.133 61.997 63.100 0.051 0.000 0.771 531 P CB 0.404 32.136 31.700 0.052 0.000 0.858 532 P HA -0.183 nan 4.420 nan 0.000 0.223 532 P C 0.223 177.578 177.300 0.091 0.000 1.144 532 P CA 1.390 64.539 63.100 0.080 0.000 0.783 532 P CB 0.111 31.841 31.700 0.050 0.000 0.771 533 D N -1.119 119.335 120.400 0.090 0.000 2.943 533 D HA 0.108 4.748 4.640 0.001 0.000 0.249 533 D C -0.454 175.926 176.300 0.135 0.000 1.231 533 D CA -0.693 53.356 54.000 0.081 0.000 0.979 533 D CB -0.622 40.211 40.800 0.055 0.000 1.053 533 D HN -0.032 nan 8.370 nan 0.000 0.504 534 Y N 0.000 120.284 120.300 -0.027 0.000 2.660 534 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 534 Y CA 0.000 58.058 58.100 -0.071 0.000 1.940 534 Y CB 0.000 38.384 38.460 -0.126 0.000 1.050 534 Y HN 0.000 nan 8.280 nan 0.000 0.758