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 3iaf_1_D DATA FIRST_RESID 2 DATA SEQUENCE AMITGGELVV RTLIKAGVEH LFGLHGXHID TIFQACLDHD VPIIDTRHEA DATA SEQUENCE AAGHAAEGYA RAGAKLGVAL VTAGGGFTNA VTPIANAWLD RTPVLFLTGS DATA SEQUENCE GALRDDETNT LQAGIDQVAM AAPITKWAHR VMATEHIPRL VMQAIRAALS DATA SEQUENCE APRGPVLLDL PWDILMNQID EDSVIIPDLV LSAHGARPDP ADLDQALALL DATA SEQUENCE RKAERPVIVL GSEASRTARK TALSAFVAAT GVPVFADYEG LSMLSGLPDA DATA SEQUENCE MRGGLVQNLY SFAKADAAPD LVLMLGARFG LNTGHGSGQL IPHSAQVIQV DATA SEQUENCE DPDACELGRL QGIALGIVAD VGGTIEALAQ ATAQDAAWPD RGDWCAKVTD DATA SEQUENCE LAQERYASIA AKSSSEHALH PFHASQVIAK HVDAGVTVVA DGALTYLWLS DATA SEQUENCE EVMSRVKPGG FLCHGYLGSM GVGFGTALGA QVADLEAGRR TILVTGDGSV DATA SEQUENCE GYSIGEFDTL VRKQLPLIVI IMNNQSWGAT LHFQQLAVGP NRVTGTRLEN DATA SEQUENCE GSYHGVAAAF GADGYHVDSV ESFSAALAQA LAHNRPACIN VAVALDPIPP DATA SEQUENCE EELI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.591 177.584 0.012 0.000 1.274 2 A CA 0.000 52.043 52.037 0.010 0.000 0.836 2 A CB 0.000 19.004 19.000 0.007 0.000 0.831 3 M N 1.636 121.243 119.600 0.012 0.000 2.078 3 M HA 0.663 5.142 4.480 -0.002 0.000 0.320 3 M C -0.703 175.609 176.300 0.020 0.000 0.969 3 M CA -0.975 54.333 55.300 0.013 0.000 0.929 3 M CB 0.944 33.549 32.600 0.008 0.000 1.504 3 M HN 0.440 nan 8.290 nan 0.000 0.419 4 I N -0.022 120.562 120.570 0.024 0.000 2.689 4 I HA 0.784 4.953 4.170 -0.002 0.000 0.299 4 I C 0.200 176.337 176.117 0.034 0.000 1.059 4 I CA -0.978 60.343 61.300 0.035 0.000 1.055 4 I CB 2.105 40.132 38.000 0.045 0.000 1.243 4 I HN 0.646 nan 8.210 nan 0.000 0.425 5 T N 1.272 115.851 114.554 0.042 0.000 2.900 5 T HA 0.226 4.575 4.350 -0.002 0.000 0.307 5 T C 1.341 176.067 174.700 0.044 0.000 1.065 5 T CA -0.024 62.101 62.100 0.043 0.000 1.105 5 T CB 1.176 70.079 68.868 0.058 0.000 0.979 5 T HN 0.947 nan 8.240 nan 0.000 0.544 6 G N 0.737 109.563 108.800 0.043 0.000 2.462 6 G HA2 -0.016 3.943 3.960 -0.002 0.000 0.220 6 G HA3 -0.016 3.943 3.960 -0.002 0.000 0.220 6 G C 1.513 176.446 174.900 0.055 0.000 1.121 6 G CA 0.489 45.617 45.100 0.046 0.000 0.758 6 G HN 1.018 nan 8.290 nan 0.000 0.559 7 G N 0.301 109.141 108.800 0.066 0.000 2.402 7 G HA2 -0.124 3.834 3.960 -0.002 0.000 0.216 7 G HA3 -0.124 3.834 3.960 -0.002 0.000 0.216 7 G C 1.595 176.517 174.900 0.037 0.000 1.162 7 G CA 0.914 46.052 45.100 0.065 0.000 0.777 7 G HN 0.359 nan 8.290 nan 0.000 0.539 8 E N 0.379 120.604 120.200 0.043 0.000 2.058 8 E HA -0.099 4.250 4.350 -0.002 0.000 0.194 8 E C 2.700 179.304 176.600 0.005 0.000 0.997 8 E CA 0.654 57.071 56.400 0.030 0.000 0.801 8 E CB -0.330 29.408 29.700 0.064 0.000 0.746 8 E HN 0.435 nan 8.360 nan 0.000 0.450 9 L N 0.323 121.560 121.223 0.023 0.000 2.013 9 L HA -0.241 4.098 4.340 -0.002 0.000 0.212 9 L C 2.610 179.487 176.870 0.012 0.000 1.073 9 L CA 1.024 55.878 54.840 0.023 0.000 0.753 9 L CB -0.642 41.439 42.059 0.036 0.000 0.890 9 L HN 0.020 nan 8.230 nan 0.000 0.432 10 V N -0.801 119.122 119.914 0.015 0.000 2.233 10 V HA -0.291 3.828 4.120 -0.002 0.000 0.247 10 V C 2.390 178.465 176.094 -0.031 0.000 1.050 10 V CA 1.898 64.204 62.300 0.010 0.000 1.010 10 V CB -0.515 31.321 31.823 0.022 0.000 0.637 10 V HN 0.205 nan 8.190 nan 0.000 0.444 11 V N -0.352 119.520 119.914 -0.071 0.000 2.295 11 V HA -0.274 3.845 4.120 -0.002 0.000 0.246 11 V C 2.615 178.602 176.094 -0.179 0.000 1.049 11 V CA 2.187 64.395 62.300 -0.152 0.000 1.024 11 V CB -0.813 30.874 31.823 -0.226 0.000 0.648 11 V HN 0.439 nan 8.190 nan 0.000 0.447 12 R N -0.160 120.253 120.500 -0.145 0.000 2.096 12 R HA -0.176 4.163 4.340 -0.002 0.000 0.240 12 R C 2.394 178.668 176.300 -0.044 0.000 1.139 12 R CA 2.145 58.193 56.100 -0.087 0.000 0.952 12 R CB -0.728 29.561 30.300 -0.018 0.000 0.854 12 R HN 0.580 nan 8.270 nan 0.000 0.436 13 T N 1.349 115.889 114.554 -0.025 0.000 2.777 13 T HA -0.088 4.261 4.350 -0.002 0.000 0.266 13 T C 1.895 176.589 174.700 -0.010 0.000 1.040 13 T CA 0.951 63.049 62.100 -0.004 0.000 1.141 13 T CB -0.153 68.724 68.868 0.015 0.000 0.868 13 T HN 0.129 nan 8.240 nan 0.000 0.444 14 L N 0.177 121.384 121.223 -0.027 0.000 2.046 14 L HA -0.044 4.295 4.340 -0.002 0.000 0.208 14 L C 2.447 179.299 176.870 -0.030 0.000 1.077 14 L CA 1.182 56.006 54.840 -0.028 0.000 0.747 14 L CB -0.579 41.450 42.059 -0.050 0.000 0.896 14 L HN 0.249 nan 8.230 nan 0.000 0.432 15 I N -0.302 120.237 120.570 -0.052 0.000 2.226 15 I HA -0.284 3.885 4.170 -0.002 0.000 0.245 15 I C 2.353 178.466 176.117 -0.007 0.000 1.100 15 I CA 1.155 62.433 61.300 -0.036 0.000 1.374 15 I CB -0.163 37.808 38.000 -0.049 0.000 1.057 15 I HN 0.089 nan 8.210 nan 0.000 0.413 16 K N 0.908 121.305 120.400 -0.004 0.000 2.574 16 K HA -0.009 4.310 4.320 -0.002 0.000 0.193 16 K C 1.524 178.130 176.600 0.010 0.000 1.035 16 K CA 0.920 57.211 56.287 0.007 0.000 0.982 16 K CB -0.018 32.487 32.500 0.009 0.000 0.795 16 K HN 0.358 nan 8.250 nan 0.000 0.491 17 A N -1.628 121.197 122.820 0.010 0.000 2.167 17 A HA 0.402 4.721 4.320 -0.002 0.000 0.208 17 A C 1.344 178.942 177.584 0.023 0.000 1.198 17 A CA 0.526 52.572 52.037 0.016 0.000 0.863 17 A CB 0.249 19.260 19.000 0.018 0.000 0.904 17 A HN 0.308 nan 8.150 nan 0.000 0.484 18 G N -0.694 108.121 108.800 0.024 0.000 2.168 18 G HA2 -0.051 3.908 3.960 -0.002 0.000 0.197 18 G HA3 -0.051 3.908 3.960 -0.002 0.000 0.197 18 G C 0.388 175.323 174.900 0.059 0.000 0.997 18 G CA 0.239 45.361 45.100 0.037 0.000 0.658 18 G HN 1.696 nan 8.290 nan 0.000 0.513 19 V N -1.413 118.531 119.914 0.049 0.000 2.637 19 V HA 0.755 4.874 4.120 -0.002 0.000 0.296 19 V C 0.681 176.794 176.094 0.032 0.000 1.046 19 V CA 0.889 63.230 62.300 0.068 0.000 1.066 19 V CB 1.526 33.368 31.823 0.030 0.000 0.968 19 V HN 0.313 nan 8.190 nan 0.000 0.483 20 E N 2.178 122.428 120.200 0.085 0.000 2.641 20 E HA 0.303 4.652 4.350 -0.002 0.000 0.224 20 E C -0.897 175.524 176.600 -0.298 0.000 0.951 20 E CA -0.141 56.243 56.400 -0.026 0.000 1.102 20 E CB 0.570 30.321 29.700 0.086 0.000 1.091 20 E HN 0.993 nan 8.360 nan 0.000 0.507 21 H N -0.795 118.141 119.070 -0.224 0.000 2.894 21 H HA 0.471 5.026 4.556 -0.002 0.000 0.367 21 H C -1.474 173.518 175.328 -0.561 0.000 1.144 21 H CA -0.602 55.168 56.048 -0.463 0.000 1.180 21 H CB 1.473 30.834 29.762 -0.667 0.000 1.758 21 H HN -0.126 nan 8.280 nan 0.000 0.541 22 L N 2.574 123.492 121.223 -0.508 0.000 2.381 22 L HA 0.516 4.855 4.340 -0.002 0.000 0.268 22 L C -1.310 175.195 176.870 -0.609 0.000 0.997 22 L CA -0.321 54.254 54.840 -0.442 0.000 0.818 22 L CB 1.198 43.063 42.059 -0.323 0.000 1.310 22 L HN 0.499 nan 8.230 nan 0.000 0.416 23 F N 1.223 121.077 119.950 -0.162 0.000 2.482 23 F HA 0.853 5.379 4.527 -0.002 0.000 0.331 23 F C 0.738 176.509 175.800 -0.049 0.000 1.115 23 F CA -0.355 57.590 58.000 -0.092 0.000 0.955 23 F CB 2.073 41.021 39.000 -0.086 0.000 1.136 23 F HN 0.498 nan 8.300 nan 0.000 0.452 24 G N 1.771 110.674 108.800 0.171 0.000 2.427 24 G HA2 0.532 4.491 3.960 -0.002 0.000 0.306 24 G HA3 0.532 4.491 3.960 -0.002 0.000 0.306 24 G C -2.741 172.289 174.900 0.217 0.000 1.280 24 G CA -0.688 44.516 45.100 0.174 0.000 0.837 24 G HN 0.514 nan 8.290 nan 0.000 0.482 25 L N 0.536 121.899 121.223 0.234 0.000 2.464 25 L HA 0.554 4.893 4.340 -0.002 0.000 0.266 25 L C -0.076 176.891 176.870 0.162 0.000 0.965 25 L CA -1.018 53.938 54.840 0.193 0.000 0.833 25 L CB 1.530 43.643 42.059 0.091 0.000 1.296 25 L HN 0.861 nan 8.230 nan 0.000 0.405 26 H N 2.438 121.469 119.070 -0.064 0.000 2.948 26 H HA 0.419 4.974 4.556 -0.002 0.000 0.351 26 H C -0.423 174.750 175.328 -0.258 0.000 1.079 26 H CA 1.166 56.933 56.048 -0.468 0.000 1.407 26 H CB 1.104 30.463 29.762 -0.672 0.000 1.373 26 H HN 0.871 nan 8.280 nan 0.000 0.605 30 I N -1.685 118.763 120.570 -0.204 0.000 4.154 30 I HA 0.222 4.391 4.170 -0.002 0.000 0.334 30 I C 1.578 177.733 176.117 0.062 0.000 1.371 30 I CA 0.149 61.438 61.300 -0.019 0.000 1.110 30 I CB 0.563 38.586 38.000 0.038 0.000 1.085 30 I HN 0.061 nan 8.210 nan 0.000 0.398 31 D N 2.253 122.589 120.400 -0.107 0.000 2.158 31 D HA -0.307 4.332 4.640 -0.002 0.000 0.197 31 D C 2.015 178.453 176.300 0.229 0.000 0.995 31 D CA 2.297 56.330 54.000 0.054 0.000 0.846 31 D CB 0.181 41.061 40.800 0.134 0.000 0.941 31 D HN 0.417 nan 8.370 nan 0.000 0.456 32 T N -0.063 114.607 114.554 0.194 0.000 2.737 32 T HA -0.170 4.179 4.350 -0.002 0.000 0.269 32 T C 2.254 177.052 174.700 0.163 0.000 1.040 32 T CA 1.415 63.622 62.100 0.178 0.000 1.142 32 T CB -0.418 68.555 68.868 0.175 0.000 0.861 32 T HN 0.261 nan 8.240 nan 0.000 0.456 33 I N -0.863 119.811 120.570 0.173 0.000 2.500 33 I HA 0.053 4.222 4.170 -0.002 0.000 0.252 33 I C 1.924 178.097 176.117 0.094 0.000 1.142 33 I CA 0.734 62.098 61.300 0.106 0.000 1.451 33 I CB -0.341 37.700 38.000 0.067 0.000 1.093 33 I HN 0.201 nan 8.210 nan 0.000 0.430 34 F N 1.216 121.190 119.950 0.040 0.000 2.234 34 F HA -0.175 4.351 4.527 -0.002 0.000 0.299 34 F C 2.661 178.501 175.800 0.067 0.000 1.087 34 F CA 1.176 59.215 58.000 0.064 0.000 1.340 34 F CB -0.317 38.768 39.000 0.142 0.000 1.031 34 F HN 0.070 nan 8.300 nan 0.000 0.500 35 Q N -0.139 119.811 119.800 0.250 0.000 2.079 35 Q HA -0.082 4.257 4.340 -0.002 0.000 0.200 35 Q C 2.548 178.629 176.000 0.135 0.000 0.974 35 Q CA 1.438 57.343 55.803 0.170 0.000 0.840 35 Q CB -1.032 27.795 28.738 0.148 0.000 0.898 35 Q HN 0.411 nan 8.270 nan 0.000 0.430 36 A N 0.049 122.939 122.820 0.116 0.000 1.968 36 A HA -0.125 4.194 4.320 -0.002 0.000 0.217 36 A C 2.482 180.124 177.584 0.097 0.000 1.169 36 A CA 1.078 53.187 52.037 0.120 0.000 0.638 36 A CB -0.768 18.251 19.000 0.031 0.000 0.812 36 A HN 0.426 nan 8.150 nan 0.000 0.446 37 C N -1.060 118.240 119.300 -0.000 0.000 2.440 37 C HA 0.008 4.467 4.460 -0.002 0.000 0.278 37 C C 2.505 177.503 174.990 0.014 0.000 1.295 37 C CA 0.834 59.817 59.018 -0.058 0.000 1.738 37 C CB -1.327 26.295 27.740 -0.195 0.000 1.987 37 C HN 0.678 nan 8.230 nan 0.000 0.492 38 L N 0.694 121.951 121.223 0.056 0.000 2.046 38 L HA -0.169 4.170 4.340 -0.002 0.000 0.208 38 L C 2.183 179.094 176.870 0.068 0.000 1.077 38 L CA 1.819 56.696 54.840 0.061 0.000 0.747 38 L CB -0.551 41.558 42.059 0.083 0.000 0.896 38 L HN 0.344 nan 8.230 nan 0.000 0.432 39 D N -0.892 119.581 120.400 0.121 0.000 2.117 39 D HA -0.171 4.468 4.640 -0.002 0.000 0.197 39 D C 1.408 177.685 176.300 -0.040 0.000 0.987 39 D CA 1.394 55.421 54.000 0.044 0.000 0.829 39 D CB -0.152 40.668 40.800 0.033 0.000 0.961 39 D HN 0.475 nan 8.370 nan 0.000 0.460 40 H N 0.245 119.299 119.070 -0.027 0.000 2.505 40 H HA 0.180 4.735 4.556 -0.002 0.000 0.289 40 H C -0.271 175.027 175.328 -0.051 0.000 1.052 40 H CA -0.483 55.544 56.048 -0.034 0.000 1.156 40 H CB -0.004 29.737 29.762 -0.035 0.000 1.507 40 H HN -0.119 nan 8.280 nan 0.000 0.548 41 D N 0.378 120.808 120.400 0.050 0.000 2.737 41 D HA -0.152 4.487 4.640 -0.002 0.000 0.233 41 D C -0.610 175.653 176.300 -0.062 0.000 1.155 41 D CA 0.448 54.441 54.000 -0.012 0.000 0.667 41 D CB -1.188 39.600 40.800 -0.020 0.000 1.060 41 D HN 0.197 nan 8.370 nan 0.000 0.427 42 V N 1.321 121.194 119.914 -0.069 0.000 2.353 42 V HA 0.250 4.369 4.120 -0.002 0.000 0.264 42 V C -1.748 174.222 176.094 -0.207 0.000 1.049 42 V CA -1.097 61.106 62.300 -0.161 0.000 0.896 42 V CB 1.174 32.902 31.823 -0.159 0.000 1.025 42 V HN -0.033 nan 8.190 nan 0.000 0.475 43 P HA 0.413 nan 4.420 nan 0.000 0.279 43 P C -0.571 176.544 177.300 -0.309 0.000 1.239 43 P CA -0.259 62.695 63.100 -0.243 0.000 0.789 43 P CB 0.855 32.416 31.700 -0.231 0.000 0.933 44 I N 3.747 124.152 120.570 -0.275 0.000 2.330 44 I HA 0.237 4.406 4.170 -0.002 0.000 0.286 44 I C 0.181 176.183 176.117 -0.193 0.000 1.025 44 I CA -0.836 60.269 61.300 -0.325 0.000 1.197 44 I CB 0.572 38.276 38.000 -0.493 0.000 1.358 44 I HN 0.158 nan 8.210 nan 0.000 0.467 45 I N 6.189 126.589 120.570 -0.284 0.000 2.460 45 I HA -0.056 4.113 4.170 -0.002 0.000 0.297 45 I C 0.243 176.382 176.117 0.037 0.000 1.139 45 I CA 0.184 61.412 61.300 -0.121 0.000 1.340 45 I CB -0.599 37.297 38.000 -0.173 0.000 1.444 45 I HN 0.548 nan 8.210 nan 0.000 0.557 46 D N 3.564 124.018 120.400 0.090 0.000 2.256 46 D HA 0.448 5.087 4.640 -0.002 0.000 0.250 46 D C 0.385 176.757 176.300 0.119 0.000 1.093 46 D CA -0.738 53.352 54.000 0.149 0.000 0.882 46 D CB 0.907 41.829 40.800 0.203 0.000 1.185 46 D HN 0.493 nan 8.370 nan 0.000 0.437 47 T N -0.529 114.096 114.554 0.119 0.000 2.889 47 T HA 0.418 4.767 4.350 -0.002 0.000 0.278 47 T C 0.931 175.657 174.700 0.042 0.000 0.995 47 T CA -1.098 61.048 62.100 0.076 0.000 0.966 47 T CB 1.348 70.270 68.868 0.091 0.000 1.237 47 T HN 0.217 nan 8.240 nan 0.000 0.591 48 R N 0.082 120.584 120.500 0.005 0.000 2.317 48 R HA 0.274 4.613 4.340 -0.002 0.000 0.208 48 R C 0.056 176.387 176.300 0.052 0.000 0.914 48 R CA 0.104 56.201 56.100 -0.005 0.000 1.060 48 R CB -0.799 29.456 30.300 -0.075 0.000 1.015 48 R HN 0.715 nan 8.270 nan 0.000 0.498 49 H N -0.606 118.451 119.070 -0.022 0.000 3.123 49 H HA 0.128 4.683 4.556 -0.002 0.000 0.346 49 H C -0.032 175.300 175.328 0.007 0.000 1.138 49 H CA -0.316 55.727 56.048 -0.008 0.000 1.273 49 H CB 1.681 31.437 29.762 -0.011 0.000 1.926 49 H HN -0.216 nan 8.280 nan 0.000 0.524 50 E N 2.778 123.090 120.200 0.188 0.000 2.110 50 E HA -0.092 4.257 4.350 -0.002 0.000 0.193 50 E C 1.989 178.690 176.600 0.168 0.000 0.988 50 E CA 1.690 58.185 56.400 0.158 0.000 0.804 50 E CB 0.124 29.866 29.700 0.071 0.000 0.745 50 E HN 0.635 nan 8.360 nan 0.000 0.458 51 A N 1.191 124.182 122.820 0.285 0.000 1.873 51 A HA -0.240 4.079 4.320 -0.002 0.000 0.218 51 A C 2.418 179.946 177.584 -0.092 0.000 1.193 51 A CA 2.299 54.305 52.037 -0.052 0.000 0.629 51 A CB -1.132 17.745 19.000 -0.205 0.000 0.826 51 A HN 0.322 nan 8.150 nan 0.000 0.447 52 A N -0.462 122.384 122.820 0.042 0.000 1.940 52 A HA 0.138 4.457 4.320 -0.002 0.000 0.219 52 A C 2.506 180.121 177.584 0.051 0.000 1.176 52 A CA 2.256 54.336 52.037 0.072 0.000 0.631 52 A CB -1.020 17.997 19.000 0.028 0.000 0.814 52 A HN 1.168 nan 8.150 nan 0.000 0.446 53 A N -0.534 122.330 122.820 0.074 0.000 1.902 53 A HA 0.133 4.452 4.320 -0.002 0.000 0.217 53 A C 2.391 179.990 177.584 0.025 0.000 1.181 53 A CA 1.926 54.022 52.037 0.099 0.000 0.623 53 A CB -1.309 17.779 19.000 0.148 0.000 0.818 53 A HN 0.695 nan 8.150 nan 0.000 0.443 54 G N -1.310 107.497 108.800 0.011 0.000 2.404 54 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.215 54 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.215 54 G C 1.456 176.317 174.900 -0.064 0.000 1.174 54 G CA 1.014 46.134 45.100 0.033 0.000 0.780 54 G HN 0.639 nan 8.290 nan 0.000 0.537 55 H N 0.892 119.972 119.070 0.017 0.000 2.456 55 H HA 0.053 4.609 4.556 -0.002 0.000 0.296 55 H C 2.843 178.071 175.328 -0.167 0.000 1.079 55 H CA 0.992 57.012 56.048 -0.047 0.000 1.322 55 H CB -0.458 29.280 29.762 -0.040 0.000 1.388 55 H HN 0.394 nan 8.280 nan 0.000 0.538 56 A N 1.083 123.799 122.820 -0.173 0.000 1.930 56 A HA -0.033 4.286 4.320 -0.002 0.000 0.217 56 A C 2.697 179.766 177.584 -0.858 0.000 1.175 56 A CA 1.519 53.210 52.037 -0.576 0.000 0.627 56 A CB -0.687 17.861 19.000 -0.752 0.000 0.815 56 A HN 0.418 nan 8.150 nan 0.000 0.443 57 A N -0.162 122.314 122.820 -0.573 0.000 1.930 57 A HA -0.145 4.174 4.320 -0.002 0.000 0.217 57 A C 1.908 179.408 177.584 -0.141 0.000 1.175 57 A CA 1.521 53.372 52.037 -0.310 0.000 0.627 57 A CB -0.465 18.394 19.000 -0.235 0.000 0.815 57 A HN 0.636 nan 8.150 nan 0.000 0.443 58 E N -0.556 119.580 120.200 -0.108 0.000 2.031 58 E HA -0.148 4.201 4.350 -0.002 0.000 0.193 58 E C 2.221 178.790 176.600 -0.052 0.000 0.994 58 E CA 0.916 57.302 56.400 -0.022 0.000 0.800 58 E CB -0.452 29.286 29.700 0.062 0.000 0.752 58 E HN 0.595 nan 8.360 nan 0.000 0.447 59 G N 0.668 109.407 108.800 -0.102 0.000 2.476 59 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.218 59 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.218 59 G C 1.420 176.275 174.900 -0.075 0.000 1.164 59 G CA 1.097 46.130 45.100 -0.112 0.000 0.768 59 G HN 0.283 nan 8.290 nan 0.000 0.560 60 Y N 1.816 121.984 120.300 -0.220 0.000 2.081 60 Y HA -0.134 4.415 4.550 -0.002 0.000 0.280 60 Y C 3.057 178.924 175.900 -0.055 0.000 1.163 60 Y CA 2.099 60.140 58.100 -0.098 0.000 1.135 60 Y CB -0.305 38.162 38.460 0.010 0.000 0.970 60 Y HN 0.262 nan 8.280 nan 0.000 0.498 61 A N 0.170 123.023 122.820 0.054 0.000 1.978 61 A HA -0.201 4.118 4.320 -0.002 0.000 0.220 61 A C 2.188 179.729 177.584 -0.072 0.000 1.170 61 A CA 1.985 54.017 52.037 -0.008 0.000 0.636 61 A CB -0.514 18.509 19.000 0.039 0.000 0.810 61 A HN 0.583 nan 8.150 nan 0.000 0.448 62 R N -1.075 119.380 120.500 -0.074 0.000 2.112 62 R HA 0.208 4.547 4.340 -0.002 0.000 0.216 62 R C 2.385 178.629 176.300 -0.095 0.000 1.080 62 R CA 0.884 56.939 56.100 -0.075 0.000 0.996 62 R CB -0.273 29.984 30.300 -0.072 0.000 0.902 62 R HN 0.440 nan 8.270 nan 0.000 0.449 63 A N 0.442 123.191 122.820 -0.119 0.000 2.016 63 A HA 0.035 4.354 4.320 -0.002 0.000 0.217 63 A C 1.988 179.486 177.584 -0.144 0.000 1.162 63 A CA 1.466 53.432 52.037 -0.117 0.000 0.662 63 A CB -0.317 18.616 19.000 -0.112 0.000 0.812 63 A HN 0.422 nan 8.150 nan 0.000 0.450 64 G N -2.662 106.008 108.800 -0.216 0.000 3.044 64 G HA2 0.414 4.373 3.960 -0.002 0.000 0.223 64 G HA3 0.414 4.373 3.960 -0.002 0.000 0.223 64 G C 0.740 175.533 174.900 -0.179 0.000 1.123 64 G CA 0.554 45.508 45.100 -0.243 0.000 0.765 64 G HN 1.478 nan 8.290 nan 0.000 0.546 65 A N 0.325 123.061 122.820 -0.139 0.000 2.791 65 A HA -0.101 4.218 4.320 -0.002 0.000 0.292 65 A C 0.853 178.388 177.584 -0.080 0.000 1.487 65 A CA 1.617 53.600 52.037 -0.090 0.000 0.760 65 A CB -1.997 16.961 19.000 -0.070 0.000 1.031 65 A HN 0.758 nan 8.150 nan 0.000 0.503 66 K N -1.586 118.758 120.400 -0.092 0.000 2.213 66 K HA 0.830 5.149 4.320 -0.002 0.000 0.254 66 K C -0.241 176.373 176.600 0.024 0.000 1.062 66 K CA -0.957 55.309 56.287 -0.036 0.000 0.884 66 K CB 0.456 32.935 32.500 -0.036 0.000 1.437 66 K HN 0.817 nan 8.250 nan 0.000 0.464 67 L N 0.961 122.230 121.223 0.077 0.000 2.416 67 L HA 0.380 4.719 4.340 -0.002 0.000 0.272 67 L C -0.001 176.996 176.870 0.210 0.000 1.161 67 L CA 0.752 55.657 54.840 0.108 0.000 0.845 67 L CB 0.719 42.832 42.059 0.090 0.000 1.119 67 L HN 0.774 nan 8.230 nan 0.000 0.464 68 G N 4.510 113.405 108.800 0.158 0.000 2.372 68 G HA2 0.572 4.531 3.960 -0.002 0.000 0.323 68 G HA3 0.572 4.531 3.960 -0.002 0.000 0.323 68 G C -1.449 173.461 174.900 0.016 0.000 1.152 68 G CA -0.481 44.727 45.100 0.180 0.000 0.906 68 G HN 0.550 nan 8.290 nan 0.000 0.460 69 V N 1.952 121.868 119.914 0.004 0.000 2.350 69 V HA 0.631 4.750 4.120 -0.002 0.000 0.285 69 V C 0.547 176.601 176.094 -0.066 0.000 1.014 69 V CA -0.804 61.459 62.300 -0.061 0.000 0.831 69 V CB 0.845 32.642 31.823 -0.044 0.000 1.000 69 V HN 1.039 nan 8.190 nan 0.000 0.433 70 A N 5.873 128.572 122.820 -0.202 0.000 2.304 70 A HA 0.871 5.190 4.320 -0.002 0.000 0.301 70 A C -0.677 176.903 177.584 -0.007 0.000 1.132 70 A CA -0.510 51.449 52.037 -0.130 0.000 0.819 70 A CB 1.144 19.926 19.000 -0.364 0.000 1.094 70 A HN 0.766 nan 8.150 nan 0.000 0.492 71 L N 3.864 125.125 121.223 0.065 0.000 2.491 71 L HA 0.594 4.933 4.340 -0.002 0.000 0.267 71 L C -1.095 175.853 176.870 0.131 0.000 0.971 71 L CA -0.476 54.414 54.840 0.083 0.000 0.857 71 L CB 1.211 43.277 42.059 0.011 0.000 1.226 71 L HN 0.742 nan 8.230 nan 0.000 0.408 72 V N 1.229 121.227 119.914 0.139 0.000 3.046 72 V HA 0.697 4.816 4.120 -0.002 0.000 0.316 72 V C 0.073 176.203 176.094 0.061 0.000 1.104 72 V CA -0.522 61.846 62.300 0.113 0.000 1.006 72 V CB 1.743 33.645 31.823 0.132 0.000 1.058 72 V HN 0.745 nan 8.190 nan 0.000 0.440 73 T N 0.880 115.428 114.554 -0.009 0.000 2.833 73 T HA 0.710 5.058 4.350 -0.002 0.000 0.292 73 T C 0.477 175.093 174.700 -0.140 0.000 1.031 73 T CA 0.288 62.319 62.100 -0.114 0.000 0.937 73 T CB 1.093 69.838 68.868 -0.205 0.000 1.256 73 T HN 1.629 nan 8.240 nan 0.000 0.551 74 A N -0.180 122.434 122.820 -0.342 0.000 2.386 74 A HA 0.563 4.882 4.320 -0.002 0.000 0.248 74 A C 1.522 178.977 177.584 -0.216 0.000 1.082 74 A CA 0.372 52.211 52.037 -0.330 0.000 0.789 74 A CB -1.023 17.612 19.000 -0.608 0.000 1.025 74 A HN 1.741 nan 8.150 nan 0.000 0.490 75 G N 1.392 110.131 108.800 -0.101 0.000 3.024 75 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.339 75 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.339 75 G C 1.602 176.524 174.900 0.036 0.000 1.200 75 G CA 1.387 46.471 45.100 -0.027 0.000 0.968 75 G HN 1.996 nan 8.290 nan 0.000 0.593 76 G N 0.742 109.524 108.800 -0.031 0.000 2.448 76 G HA2 0.240 4.199 3.960 -0.002 0.000 0.219 76 G HA3 0.240 4.199 3.960 -0.002 0.000 0.219 76 G C 1.798 176.673 174.900 -0.041 0.000 1.127 76 G CA 1.892 46.971 45.100 -0.035 0.000 0.766 76 G HN 1.653 nan 8.290 nan 0.000 0.552 77 G N 0.457 109.232 108.800 -0.041 0.000 2.408 77 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.217 77 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.217 77 G C 1.557 176.477 174.900 0.033 0.000 1.150 77 G CA 0.915 46.001 45.100 -0.023 0.000 0.776 77 G HN 0.407 nan 8.290 nan 0.000 0.542 78 F N 2.734 122.640 119.950 -0.074 0.000 2.128 78 F HA -0.074 4.452 4.527 -0.001 0.000 0.295 78 F C 2.945 178.702 175.800 -0.071 0.000 1.100 78 F CA 2.278 60.239 58.000 -0.066 0.000 1.260 78 F CB -0.707 38.245 39.000 -0.080 0.000 1.009 78 F HN 0.173 nan 8.300 nan 0.000 0.476 79 T N -1.401 112.977 114.554 -0.293 0.000 2.833 79 T HA -0.177 4.172 4.350 -0.002 0.000 0.269 79 T C 1.690 176.215 174.700 -0.290 0.000 1.054 79 T CA 1.466 63.333 62.100 -0.389 0.000 1.135 79 T CB -0.722 68.090 68.868 -0.095 0.000 0.869 79 T HN 0.285 nan 8.240 nan 0.000 0.466 80 N N 1.902 120.508 118.700 -0.157 0.000 2.459 80 N HA 0.165 4.904 4.740 -0.002 0.000 0.181 80 N C 1.817 177.283 175.510 -0.074 0.000 1.046 80 N CA 1.006 54.037 53.050 -0.032 0.000 0.904 80 N CB -0.339 38.164 38.487 0.028 0.000 0.964 80 N HN 0.658 nan 8.380 nan 0.000 0.444 81 A N 0.042 122.739 122.820 -0.204 0.000 2.251 81 A HA 0.118 4.437 4.320 -0.002 0.000 0.209 81 A C 2.177 179.510 177.584 -0.418 0.000 1.187 81 A CA 0.095 51.997 52.037 -0.225 0.000 0.823 81 A CB -0.065 18.856 19.000 -0.132 0.000 0.846 81 A HN 0.031 nan 8.150 nan 0.000 0.486 82 V N -0.318 119.324 119.914 -0.454 0.000 2.358 82 V HA -0.202 3.917 4.120 -0.002 0.000 0.246 82 V C 2.751 178.680 176.094 -0.275 0.000 1.047 82 V CA 2.573 64.601 62.300 -0.453 0.000 1.035 82 V CB -0.956 30.611 31.823 -0.426 0.000 0.658 82 V HN 0.594 nan 8.190 nan 0.000 0.452 83 T N 0.311 114.762 114.554 -0.173 0.000 2.652 83 T HA -0.123 4.226 4.350 -0.002 0.000 0.267 83 T C -0.045 174.646 174.700 -0.014 0.000 1.039 83 T CA 1.998 64.064 62.100 -0.056 0.000 1.153 83 T CB -1.314 67.569 68.868 0.025 0.000 0.863 83 T HN 0.421 nan 8.240 nan 0.000 0.428 84 P HA -0.067 nan 4.420 nan 0.000 0.216 84 P C 1.521 178.841 177.300 0.034 0.000 1.157 84 P CA 1.084 64.106 63.100 -0.130 0.000 0.880 84 P CB -0.252 31.301 31.700 -0.245 0.000 0.791 85 I N -0.849 119.522 120.570 -0.330 0.000 2.163 85 I HA -0.290 3.879 4.170 -0.002 0.000 0.243 85 I C 2.327 178.421 176.117 -0.038 0.000 1.085 85 I CA 1.788 62.813 61.300 -0.458 0.000 1.347 85 I CB -0.905 36.651 38.000 -0.738 0.000 1.044 85 I HN -0.070 nan 8.210 nan 0.000 0.408 86 A N 0.595 123.402 122.820 -0.021 0.000 1.930 86 A HA -0.231 4.088 4.320 -0.002 0.000 0.217 86 A C 2.051 179.765 177.584 0.217 0.000 1.175 86 A CA 2.130 54.238 52.037 0.118 0.000 0.627 86 A CB -0.789 18.243 19.000 0.053 0.000 0.815 86 A HN 0.450 nan 8.150 nan 0.000 0.443 87 N N 0.224 119.028 118.700 0.174 0.000 2.188 87 N HA -0.060 4.679 4.740 -0.002 0.000 0.184 87 N C 1.693 177.320 175.510 0.195 0.000 1.018 87 N CA 1.637 54.794 53.050 0.177 0.000 0.858 87 N CB -0.311 38.295 38.487 0.199 0.000 0.989 87 N HN 0.352 nan 8.380 nan 0.000 0.426 88 A N 0.044 123.012 122.820 0.247 0.000 1.969 88 A HA -0.142 4.177 4.320 -0.002 0.000 0.218 88 A C 2.087 179.842 177.584 0.286 0.000 1.169 88 A CA 1.015 53.211 52.037 0.265 0.000 0.635 88 A CB -1.174 18.052 19.000 0.377 0.000 0.810 88 A HN 0.702 nan 8.150 nan 0.000 0.445 89 W N 0.431 121.797 121.300 0.109 0.000 2.379 89 W HA -0.131 4.528 4.660 -0.001 0.000 0.307 89 W C 1.365 177.945 176.519 0.102 0.000 1.200 89 W CA 1.506 58.907 57.345 0.094 0.000 1.297 89 W CB -0.195 29.303 29.460 0.064 0.000 1.140 89 W HN 0.283 nan 8.180 nan 0.000 0.507 90 L N 0.536 121.794 121.223 0.057 0.000 2.341 90 L HA -0.100 4.239 4.340 -0.002 0.000 0.214 90 L C 1.440 178.348 176.870 0.063 0.000 1.115 90 L CA 0.869 55.700 54.840 -0.016 0.000 0.820 90 L CB -0.682 41.474 42.059 0.162 0.000 0.944 90 L HN -0.223 nan 8.230 nan 0.000 0.452 91 D N 0.384 120.814 120.400 0.050 0.000 2.340 91 D HA 0.017 4.656 4.640 -0.002 0.000 0.220 91 D C 0.359 176.659 176.300 -0.000 0.000 1.039 91 D CA 0.092 54.100 54.000 0.014 0.000 0.866 91 D CB 0.094 40.901 40.800 0.012 0.000 0.913 91 D HN 0.026 nan 8.370 nan 0.000 0.523 92 R N -0.018 120.472 120.500 -0.016 0.000 3.333 92 R HA -0.159 4.180 4.340 -0.002 0.000 0.256 92 R C -0.181 176.131 176.300 0.021 0.000 1.010 92 R CA 0.807 56.894 56.100 -0.022 0.000 0.680 92 R CB -2.498 27.776 30.300 -0.043 0.000 1.102 92 R HN 0.138 nan 8.270 nan 0.000 0.440 93 T N 0.082 114.673 114.554 0.061 0.000 2.807 93 T HA 0.518 4.867 4.350 -0.002 0.000 0.279 93 T C -2.599 172.160 174.700 0.098 0.000 0.993 93 T CA -2.319 59.819 62.100 0.063 0.000 0.970 93 T CB 1.591 70.490 68.868 0.052 0.000 0.950 93 T HN -0.045 nan 8.240 nan 0.000 0.441 94 P HA 0.352 nan 4.420 nan 0.000 0.251 94 P C -0.798 176.545 177.300 0.072 0.000 1.718 94 P CA -0.330 62.822 63.100 0.087 0.000 1.119 94 P CB 0.279 32.015 31.700 0.060 0.000 1.762 95 V N 4.570 124.533 119.914 0.081 0.000 2.547 95 V HA 0.324 4.443 4.120 -0.002 0.000 0.299 95 V C 0.408 176.490 176.094 -0.021 0.000 1.040 95 V CA -0.858 61.410 62.300 -0.053 0.000 0.913 95 V CB 2.673 34.351 31.823 -0.242 0.000 0.992 95 V HN 0.370 nan 8.190 nan 0.000 0.449 96 L N 5.175 126.341 121.223 -0.095 0.000 2.313 96 L HA 0.541 4.880 4.340 -0.002 0.000 0.273 96 L C -1.251 175.587 176.870 -0.054 0.000 1.028 96 L CA -0.115 54.739 54.840 0.023 0.000 0.871 96 L CB 0.465 42.560 42.059 0.060 0.000 1.242 96 L HN 0.516 nan 8.230 nan 0.000 0.434 97 F N 5.288 125.302 119.950 0.107 0.000 2.445 97 F HA 0.330 4.856 4.527 -0.002 0.000 0.359 97 F C 0.281 176.139 175.800 0.097 0.000 1.101 97 F CA -0.178 57.879 58.000 0.095 0.000 1.177 97 F CB 0.960 40.018 39.000 0.096 0.000 1.110 97 F HN 0.316 nan 8.300 nan 0.000 0.522 98 L N 3.650 125.007 121.223 0.223 0.000 2.298 98 L HA 0.464 4.803 4.340 -0.002 0.000 0.284 98 L C 0.106 177.073 176.870 0.162 0.000 1.013 98 L CA -0.369 54.567 54.840 0.160 0.000 0.824 98 L CB 1.796 43.913 42.059 0.097 0.000 1.221 98 L HN 0.546 nan 8.230 nan 0.000 0.418 99 T N 1.937 116.574 114.554 0.138 0.000 2.885 99 T HA 0.678 5.027 4.350 -0.002 0.000 0.285 99 T C 0.195 174.920 174.700 0.041 0.000 1.019 99 T CA -0.394 61.771 62.100 0.108 0.000 1.010 99 T CB 1.501 70.460 68.868 0.151 0.000 1.022 99 T HN 0.648 nan 8.240 nan 0.000 0.466 100 G N 1.918 110.726 108.800 0.014 0.000 2.537 100 G HA2 0.570 4.529 3.960 -0.002 0.000 0.273 100 G HA3 0.570 4.529 3.960 -0.002 0.000 0.273 100 G C -0.407 174.468 174.900 -0.042 0.000 1.189 100 G CA -0.170 44.932 45.100 0.003 0.000 0.881 100 G HN 1.173 nan 8.290 nan 0.000 0.535 101 S N -1.274 114.438 115.700 0.021 0.000 2.625 101 S HA 0.698 5.167 4.470 -0.002 0.000 0.271 101 S C 0.064 174.757 174.600 0.154 0.000 1.161 101 S CA -0.233 57.965 58.200 -0.002 0.000 0.820 101 S CB 1.144 64.305 63.200 -0.067 0.000 1.137 101 S HN 1.421 nan 8.310 nan 0.000 0.470 102 G N 0.587 109.461 108.800 0.123 0.000 2.353 102 G HA2 0.475 4.434 3.960 -0.002 0.000 0.239 102 G HA3 0.475 4.434 3.960 -0.002 0.000 0.239 102 G C 0.563 175.566 174.900 0.172 0.000 1.295 102 G CA -0.077 45.148 45.100 0.209 0.000 0.884 102 G HN 1.377 nan 8.290 nan 0.000 0.537 103 A N 2.151 125.096 122.820 0.208 0.000 2.547 103 A HA 0.181 4.500 4.320 -0.002 0.000 0.233 103 A C 1.668 179.280 177.584 0.047 0.000 1.067 103 A CA -0.126 51.977 52.037 0.110 0.000 0.763 103 A CB 0.190 19.210 19.000 0.034 0.000 1.007 103 A HN 0.769 nan 8.150 nan 0.000 0.506 104 L N 1.259 122.493 121.223 0.020 0.000 2.046 104 L HA -0.100 4.239 4.340 -0.002 0.000 0.208 104 L C 1.679 178.544 176.870 -0.009 0.000 1.077 104 L CA 1.084 55.923 54.840 -0.001 0.000 0.747 104 L CB -0.596 41.457 42.059 -0.009 0.000 0.896 104 L HN 0.817 nan 8.230 nan 0.000 0.432 105 R N 1.244 121.733 120.500 -0.018 0.000 2.643 105 R HA 0.037 4.376 4.340 -0.002 0.000 0.270 105 R C 0.069 176.361 176.300 -0.014 0.000 1.061 105 R CA 0.341 56.426 56.100 -0.024 0.000 1.107 105 R CB -0.331 29.943 30.300 -0.043 0.000 0.999 105 R HN 0.354 nan 8.270 nan 0.000 0.460 106 D N -1.896 118.496 120.400 -0.012 0.000 2.751 106 D HA -0.262 4.377 4.640 -0.002 0.000 0.233 106 D C -0.854 175.453 176.300 0.012 0.000 1.149 106 D CA 1.447 55.447 54.000 0.000 0.000 0.682 106 D CB -1.363 39.438 40.800 0.003 0.000 1.068 106 D HN 0.811 nan 8.370 nan 0.000 0.429 107 D N 0.128 120.530 120.400 0.004 0.000 2.350 107 D HA 0.360 4.999 4.640 -0.002 0.000 0.249 107 D C 0.312 176.611 176.300 -0.002 0.000 1.119 107 D CA 0.077 54.078 54.000 0.001 0.000 0.886 107 D CB 0.767 41.562 40.800 -0.008 0.000 1.195 107 D HN 0.323 nan 8.370 nan 0.000 0.437 108 E N 1.782 121.981 120.200 -0.002 0.000 2.246 108 E HA -0.196 4.153 4.350 -0.002 0.000 0.211 108 E C -0.449 176.151 176.600 0.001 0.000 1.278 108 E CA 1.230 57.628 56.400 -0.004 0.000 0.694 108 E CB -1.488 28.207 29.700 -0.008 0.000 1.166 108 E HN 0.538 nan 8.360 nan 0.000 0.370 109 T N -1.971 112.587 114.554 0.007 0.000 3.275 109 T HA 0.213 4.562 4.350 -0.002 0.000 0.298 109 T C 0.340 175.048 174.700 0.014 0.000 0.988 109 T CA -0.009 62.097 62.100 0.010 0.000 0.936 109 T CB 0.149 69.025 68.868 0.013 0.000 1.159 109 T HN 0.211 nan 8.240 nan 0.000 0.519 110 N N 1.722 120.429 118.700 0.013 0.000 2.714 110 N HA -0.132 4.607 4.740 -0.002 0.000 0.252 110 N C -0.132 175.392 175.510 0.025 0.000 1.014 110 N CA 1.393 54.452 53.050 0.014 0.000 0.735 110 N CB -1.570 36.923 38.487 0.010 0.000 0.924 110 N HN 0.726 nan 8.380 nan 0.000 0.540 111 T N -0.484 114.092 114.554 0.036 0.000 2.927 111 T HA 0.484 4.833 4.350 -0.002 0.000 0.281 111 T C 0.385 175.124 174.700 0.065 0.000 0.998 111 T CA -0.861 61.274 62.100 0.058 0.000 1.019 111 T CB 0.937 69.853 68.868 0.081 0.000 1.061 111 T HN 0.238 nan 8.240 nan 0.000 0.518 112 L N 4.039 125.314 121.223 0.086 0.000 2.660 112 L HA 0.130 4.469 4.340 -0.002 0.000 0.272 112 L C 1.064 177.977 176.870 0.072 0.000 1.194 112 L CA 1.290 56.177 54.840 0.079 0.000 0.945 112 L CB -0.654 41.469 42.059 0.107 0.000 1.212 112 L HN 1.016 nan 8.230 nan 0.000 0.490 113 Q N 1.336 121.134 119.800 -0.002 0.000 2.282 113 Q HA -0.266 4.073 4.340 -0.002 0.000 0.182 113 Q C 0.412 176.379 176.000 -0.054 0.000 0.609 113 Q CA 1.173 56.929 55.803 -0.078 0.000 1.397 113 Q CB -1.725 26.859 28.738 -0.257 0.000 1.458 113 Q HN 0.923 nan 8.270 nan 0.000 0.852 114 A N -0.515 122.311 122.820 0.009 0.000 2.257 114 A HA 0.698 5.017 4.320 -0.002 0.000 0.290 114 A C 1.441 179.018 177.584 -0.011 0.000 1.201 114 A CA 0.769 52.810 52.037 0.005 0.000 0.863 114 A CB 0.313 19.339 19.000 0.043 0.000 1.256 114 A HN 0.922 nan 8.150 nan 0.000 0.506 115 G N -1.868 106.920 108.800 -0.021 0.000 2.213 115 G HA2 -0.173 3.786 3.960 -0.002 0.000 0.236 115 G HA3 -0.173 3.786 3.960 -0.002 0.000 0.236 115 G C 0.203 175.083 174.900 -0.033 0.000 0.991 115 G CA 0.354 45.441 45.100 -0.021 0.000 0.629 115 G HN 1.837 nan 8.290 nan 0.000 0.517 116 I N -1.326 119.216 120.570 -0.047 0.000 2.354 116 I HA 0.656 4.825 4.170 -0.002 0.000 0.292 116 I C -0.543 175.508 176.117 -0.111 0.000 0.989 116 I CA -1.104 60.164 61.300 -0.053 0.000 1.188 116 I CB 1.747 39.739 38.000 -0.014 0.000 1.342 116 I HN -0.099 nan 8.210 nan 0.000 0.457 117 D N 5.813 126.152 120.400 -0.101 0.000 2.455 117 D HA 0.048 4.687 4.640 -0.002 0.000 0.234 117 D C 0.863 177.036 176.300 -0.211 0.000 1.224 117 D CA 0.325 54.240 54.000 -0.141 0.000 0.999 117 D CB 0.798 41.538 40.800 -0.100 0.000 1.072 117 D HN 0.699 nan 8.370 nan 0.000 0.514 118 Q N 1.405 120.973 119.800 -0.386 0.000 2.167 118 Q HA -0.078 4.261 4.340 -0.002 0.000 0.202 118 Q C 1.960 177.625 176.000 -0.558 0.000 0.970 118 Q CA 0.825 56.142 55.803 -0.811 0.000 0.855 118 Q CB 0.379 28.325 28.738 -1.320 0.000 0.911 118 Q HN 0.370 nan 8.270 nan 0.000 0.438 119 V N 0.978 120.678 119.914 -0.358 0.000 2.427 119 V HA -0.237 3.882 4.120 -0.002 0.000 0.248 119 V C 2.280 178.278 176.094 -0.161 0.000 1.051 119 V CA 1.671 63.824 62.300 -0.246 0.000 1.048 119 V CB -0.889 30.782 31.823 -0.253 0.000 0.666 119 V HN 0.377 nan 8.190 nan 0.000 0.456 120 A N 1.056 123.792 122.820 -0.140 0.000 1.908 120 A HA -0.249 4.070 4.320 -0.002 0.000 0.218 120 A C 2.206 179.756 177.584 -0.057 0.000 1.181 120 A CA 2.402 54.385 52.037 -0.091 0.000 0.627 120 A CB -0.466 18.488 19.000 -0.077 0.000 0.818 120 A HN 0.653 nan 8.150 nan 0.000 0.445 121 M N -1.712 117.880 119.600 -0.013 0.000 2.558 121 M HA 0.309 4.788 4.480 -0.002 0.000 0.255 121 M C 1.934 178.262 176.300 0.046 0.000 1.113 121 M CA 1.110 56.436 55.300 0.044 0.000 1.097 121 M CB -0.210 32.464 32.600 0.124 0.000 1.426 121 M HN 0.251 nan 8.290 nan 0.000 0.488 122 A N 1.107 123.959 122.820 0.054 0.000 1.984 122 A HA 0.423 4.742 4.320 -0.002 0.000 0.214 122 A C 2.487 179.988 177.584 -0.138 0.000 1.173 122 A CA 1.018 53.050 52.037 -0.007 0.000 0.673 122 A CB -0.631 18.402 19.000 0.055 0.000 0.830 122 A HN 0.507 nan 8.150 nan 0.000 0.453 123 A N 1.176 123.916 122.820 -0.132 0.000 1.903 123 A HA -0.126 4.193 4.320 -0.002 0.000 0.219 123 A C 0.279 177.723 177.584 -0.233 0.000 1.191 123 A CA 2.020 53.962 52.037 -0.159 0.000 0.638 123 A CB -1.737 17.194 19.000 -0.115 0.000 0.823 123 A HN 0.499 nan 8.150 nan 0.000 0.451 124 P HA -0.008 nan 4.420 nan 0.000 0.239 124 P C 0.599 177.564 177.300 -0.558 0.000 1.184 124 P CA 0.998 63.934 63.100 -0.273 0.000 0.760 124 P CB -0.277 31.328 31.700 -0.158 0.000 0.884 125 I N -3.760 116.396 120.570 -0.689 0.000 3.817 125 I HA 0.333 4.502 4.170 -0.002 0.000 0.322 125 I C -0.705 174.841 176.117 -0.953 0.000 1.512 125 I CA -0.572 60.061 61.300 -1.111 0.000 1.066 125 I CB 0.435 38.127 38.000 -0.515 0.000 1.336 125 I HN -0.259 nan 8.210 nan 0.000 0.539 126 T N -3.313 110.755 114.554 -0.810 0.000 2.900 126 T HA 0.437 4.786 4.350 -0.002 0.000 0.303 126 T C 0.341 174.992 174.700 -0.081 0.000 1.142 126 T CA -0.798 61.152 62.100 -0.250 0.000 1.007 126 T CB 2.698 71.531 68.868 -0.058 0.000 1.156 126 T HN 0.081 nan 8.240 nan 0.000 0.490 127 K N -0.299 120.281 120.400 0.299 0.000 2.148 127 K HA 0.044 4.363 4.320 -0.002 0.000 0.204 127 K C -0.285 176.534 176.600 0.365 0.000 1.050 127 K CA 1.054 57.568 56.287 0.378 0.000 0.942 127 K CB 0.113 32.832 32.500 0.365 0.000 0.724 127 K HN 0.639 nan 8.250 nan 0.000 0.446 128 W N -0.746 120.604 121.300 0.083 0.000 3.573 128 W HA 0.435 5.094 4.660 -0.002 0.000 0.306 128 W C -2.074 174.485 176.519 0.067 0.000 1.227 128 W CA -0.775 56.610 57.345 0.066 0.000 1.212 128 W CB 1.457 30.958 29.460 0.069 0.000 1.331 128 W HN -0.165 nan 8.180 nan 0.000 0.524 129 A N 4.079 126.679 122.820 -0.367 0.000 2.402 129 A HA 0.678 4.997 4.320 -0.002 0.000 0.291 129 A C -2.204 175.033 177.584 -0.578 0.000 1.051 129 A CA -0.421 51.392 52.037 -0.374 0.000 0.716 129 A CB 1.373 20.253 19.000 -0.199 0.000 1.223 129 A HN 0.757 nan 8.150 nan 0.000 0.425 130 H N 0.566 119.205 119.070 -0.718 0.000 2.974 130 H HA 0.578 5.133 4.556 -0.002 0.000 0.366 130 H C -0.679 174.436 175.328 -0.354 0.000 1.155 130 H CA -0.393 55.257 56.048 -0.662 0.000 1.186 130 H CB 1.398 30.469 29.762 -1.152 0.000 1.799 130 H HN 0.726 nan 8.280 nan 0.000 0.541 131 R N 3.944 124.076 120.500 -0.613 0.000 2.229 131 R HA 0.414 4.753 4.340 -0.002 0.000 0.328 131 R C -0.968 175.192 176.300 -0.234 0.000 1.009 131 R CA -0.735 55.160 56.100 -0.342 0.000 0.864 131 R CB 0.733 30.854 30.300 -0.299 0.000 1.085 131 R HN 0.393 nan 8.270 nan 0.000 0.453 132 V N 6.707 126.606 119.914 -0.026 0.000 2.508 132 V HA -0.008 4.111 4.120 -0.002 0.000 0.281 132 V C 1.248 177.380 176.094 0.063 0.000 1.041 132 V CA 0.181 62.541 62.300 0.100 0.000 1.016 132 V CB 1.387 33.284 31.823 0.123 0.000 0.984 132 V HN 0.875 nan 8.190 nan 0.000 0.478 133 M N 3.348 123.021 119.600 0.121 0.000 2.545 133 M HA 0.307 4.786 4.480 -0.002 0.000 0.264 133 M C 0.721 177.024 176.300 0.005 0.000 1.155 133 M CA 0.712 56.054 55.300 0.069 0.000 1.162 133 M CB 0.018 32.685 32.600 0.112 0.000 1.330 133 M HN 0.670 nan 8.290 nan 0.000 0.479 134 A N -0.037 122.757 122.820 -0.044 0.000 2.371 134 A HA 0.545 4.864 4.320 -0.002 0.000 0.311 134 A C 0.896 178.409 177.584 -0.117 0.000 1.068 134 A CA -0.458 51.440 52.037 -0.232 0.000 0.744 134 A CB 0.708 19.265 19.000 -0.739 0.000 1.239 134 A HN 0.272 nan 8.150 nan 0.000 0.435 135 T N 1.290 115.798 114.554 -0.077 0.000 2.803 135 T HA -0.142 4.207 4.350 -0.002 0.000 0.269 135 T C 1.467 176.162 174.700 -0.008 0.000 1.052 135 T CA 2.427 64.516 62.100 -0.019 0.000 1.136 135 T CB -0.111 68.747 68.868 -0.017 0.000 0.864 135 T HN 0.783 nan 8.240 nan 0.000 0.467 136 E N 0.674 120.839 120.200 -0.057 0.000 2.072 136 E HA -0.080 4.269 4.350 -0.002 0.000 0.191 136 E C 1.934 178.595 176.600 0.102 0.000 0.985 136 E CA 1.042 57.440 56.400 -0.003 0.000 0.801 136 E CB -0.370 29.310 29.700 -0.033 0.000 0.750 136 E HN 0.706 nan 8.360 nan 0.000 0.452 137 H N -0.041 119.061 119.070 0.052 0.000 2.489 137 H HA -0.055 4.500 4.556 -0.001 0.000 0.293 137 H C 1.887 177.260 175.328 0.074 0.000 1.066 137 H CA 0.463 56.551 56.048 0.066 0.000 1.305 137 H CB -0.108 29.705 29.762 0.085 0.000 1.386 137 H HN 0.103 nan 8.280 nan 0.000 0.551 138 I N 0.885 121.563 120.570 0.181 0.000 2.093 138 I HA -0.308 3.861 4.170 -0.002 0.000 0.239 138 I C -0.577 175.610 176.117 0.117 0.000 1.026 138 I CA 1.728 63.109 61.300 0.136 0.000 1.295 138 I CB -1.184 36.872 38.000 0.093 0.000 1.007 138 I HN 0.274 nan 8.210 nan 0.000 0.401 139 P HA -0.173 nan 4.420 nan 0.000 0.215 139 P C 1.261 178.599 177.300 0.064 0.000 1.157 139 P CA 1.618 64.758 63.100 0.067 0.000 0.863 139 P CB -0.218 31.513 31.700 0.052 0.000 0.787 140 R N -0.914 119.625 120.500 0.066 0.000 2.193 140 R HA -0.053 4.286 4.340 -0.002 0.000 0.229 140 R C 1.759 178.083 176.300 0.040 0.000 1.110 140 R CA 1.224 57.347 56.100 0.039 0.000 0.988 140 R CB -1.321 28.996 30.300 0.028 0.000 0.871 140 R HN 0.111 nan 8.270 nan 0.000 0.458 141 L N 0.310 121.591 121.223 0.097 0.000 2.202 141 L HA 0.082 4.421 4.340 -0.002 0.000 0.205 141 L C 2.191 179.173 176.870 0.186 0.000 1.083 141 L CA 0.816 55.752 54.840 0.161 0.000 0.790 141 L CB -0.008 42.191 42.059 0.233 0.000 0.942 141 L HN 0.031 nan 8.230 nan 0.000 0.452 142 V N -0.780 119.221 119.914 0.144 0.000 2.295 142 V HA -0.341 3.778 4.120 -0.002 0.000 0.246 142 V C 2.535 178.682 176.094 0.087 0.000 1.049 142 V CA 1.930 64.307 62.300 0.128 0.000 1.024 142 V CB -0.452 31.425 31.823 0.090 0.000 0.648 142 V HN 0.407 nan 8.190 nan 0.000 0.447 143 M N -0.203 119.425 119.600 0.048 0.000 2.065 143 M HA -0.220 4.259 4.480 -0.002 0.000 0.259 143 M C 2.233 178.518 176.300 -0.024 0.000 1.069 143 M CA 2.085 57.393 55.300 0.013 0.000 1.110 143 M CB -0.777 31.824 32.600 0.002 0.000 1.328 143 M HN 0.386 nan 8.290 nan 0.000 0.405 144 Q N -0.700 119.059 119.800 -0.068 0.000 2.096 144 Q HA -0.253 4.086 4.340 -0.002 0.000 0.208 144 Q C 1.879 177.732 176.000 -0.246 0.000 0.993 144 Q CA 2.682 58.358 55.803 -0.212 0.000 0.862 144 Q CB -0.372 28.168 28.738 -0.330 0.000 0.915 144 Q HN 0.625 nan 8.270 nan 0.000 0.416 145 A N 0.316 123.096 122.820 -0.067 0.000 1.908 145 A HA -0.195 4.124 4.320 -0.002 0.000 0.218 145 A C 2.014 179.648 177.584 0.083 0.000 1.181 145 A CA 1.670 53.782 52.037 0.126 0.000 0.627 145 A CB -0.749 18.472 19.000 0.368 0.000 0.818 145 A HN 0.528 nan 8.150 nan 0.000 0.445 146 I N -0.989 119.614 120.570 0.056 0.000 2.226 146 I HA -0.270 3.899 4.170 -0.002 0.000 0.245 146 I C 2.779 178.905 176.117 0.016 0.000 1.100 146 I CA 1.324 62.652 61.300 0.046 0.000 1.374 146 I CB -0.366 37.657 38.000 0.038 0.000 1.057 146 I HN 0.285 nan 8.210 nan 0.000 0.413 147 R N 0.805 121.290 120.500 -0.025 0.000 2.083 147 R HA -0.161 4.178 4.340 -0.002 0.000 0.237 147 R C 2.487 178.760 176.300 -0.044 0.000 1.137 147 R CA 1.615 57.689 56.100 -0.044 0.000 0.951 147 R CB -0.567 29.685 30.300 -0.080 0.000 0.851 147 R HN 0.380 nan 8.270 nan 0.000 0.434 148 A N 1.264 124.037 122.820 -0.077 0.000 1.908 148 A HA -0.139 4.180 4.320 -0.002 0.000 0.218 148 A C 2.379 179.992 177.584 0.048 0.000 1.181 148 A CA 1.785 53.794 52.037 -0.048 0.000 0.627 148 A CB -0.610 18.327 19.000 -0.106 0.000 0.818 148 A HN 0.421 nan 8.150 nan 0.000 0.445 149 A N -0.552 122.314 122.820 0.077 0.000 1.898 149 A HA 0.023 4.342 4.320 -0.002 0.000 0.216 149 A C 2.095 179.724 177.584 0.075 0.000 1.181 149 A CA 1.462 53.565 52.037 0.109 0.000 0.620 149 A CB -0.488 18.583 19.000 0.118 0.000 0.819 149 A HN 0.464 nan 8.150 nan 0.000 0.442 150 L N -0.217 121.033 121.223 0.045 0.000 2.418 150 L HA 0.039 4.378 4.340 -0.002 0.000 0.218 150 L C 0.764 177.646 176.870 0.020 0.000 1.125 150 L CA -0.122 54.736 54.840 0.030 0.000 0.835 150 L CB -0.115 41.955 42.059 0.018 0.000 0.953 150 L HN 0.155 nan 8.230 nan 0.000 0.454 151 S N 0.206 115.918 115.700 0.019 0.000 2.603 151 S HA 0.483 4.952 4.470 -0.002 0.000 0.268 151 S C 0.329 174.939 174.600 0.018 0.000 1.317 151 S CA -0.752 57.455 58.200 0.012 0.000 1.012 151 S CB 1.375 64.577 63.200 0.003 0.000 0.926 151 S HN 0.220 nan 8.310 nan 0.000 0.539 152 A N 3.676 126.501 122.820 0.010 0.000 2.454 152 A HA 0.485 4.804 4.320 -0.002 0.000 0.260 152 A C -2.222 175.368 177.584 0.009 0.000 1.106 152 A CA -1.218 50.823 52.037 0.006 0.000 0.780 152 A CB -0.441 18.558 19.000 -0.001 0.000 1.044 152 A HN 0.510 nan 8.150 nan 0.000 0.498 153 P HA 0.365 nan 4.420 nan 0.000 0.285 153 P C -0.538 176.769 177.300 0.012 0.000 1.259 153 P CA -0.582 62.514 63.100 -0.007 0.000 0.794 153 P CB 0.752 32.430 31.700 -0.037 0.000 0.940 154 R N 1.117 121.626 120.500 0.015 0.000 2.698 154 R HA 0.533 4.872 4.340 -0.002 0.000 0.266 154 R C 1.072 177.411 176.300 0.065 0.000 1.026 154 R CA 1.112 57.236 56.100 0.040 0.000 1.102 154 R CB -0.412 29.906 30.300 0.030 0.000 0.978 154 R HN 0.839 nan 8.270 nan 0.000 0.436 155 G N 1.850 110.724 108.800 0.123 0.000 2.559 155 G HA2 0.461 4.420 3.960 -0.002 0.000 0.291 155 G HA3 0.461 4.420 3.960 -0.002 0.000 0.291 155 G C -3.036 172.025 174.900 0.269 0.000 1.424 155 G CA -1.080 44.144 45.100 0.207 0.000 0.786 155 G HN 0.426 nan 8.290 nan 0.000 0.485 156 P HA 0.570 nan 4.420 nan 0.000 0.281 156 P C -0.800 176.722 177.300 0.370 0.000 1.249 156 P CA -0.553 62.788 63.100 0.402 0.000 0.810 156 P CB 2.115 34.112 31.700 0.495 0.000 1.008 157 V N 3.413 123.555 119.914 0.381 0.000 2.577 157 V HA 0.284 4.403 4.120 -0.002 0.000 0.303 157 V C -0.098 176.202 176.094 0.342 0.000 1.042 157 V CA -0.759 61.750 62.300 0.349 0.000 0.872 157 V CB 1.879 33.921 31.823 0.365 0.000 0.998 157 V HN 0.416 nan 8.190 nan 0.000 0.423 158 L N 5.639 126.999 121.223 0.229 0.000 2.275 158 L HA 0.570 4.909 4.340 -0.002 0.000 0.288 158 L C -0.793 176.131 176.870 0.089 0.000 1.046 158 L CA 0.009 54.956 54.840 0.179 0.000 0.805 158 L CB 1.031 43.149 42.059 0.099 0.000 1.193 158 L HN 0.575 nan 8.230 nan 0.000 0.426 159 L N 5.657 126.955 121.223 0.126 0.000 2.316 159 L HA 0.415 4.754 4.340 -0.002 0.000 0.280 159 L C -1.046 175.850 176.870 0.043 0.000 1.006 159 L CA -0.280 54.608 54.840 0.081 0.000 0.836 159 L CB 1.402 43.558 42.059 0.162 0.000 1.221 159 L HN 0.672 nan 8.230 nan 0.000 0.418 160 D N 5.760 126.140 120.400 -0.033 0.000 2.249 160 D HA 0.292 4.931 4.640 -0.002 0.000 0.246 160 D C -0.873 175.417 176.300 -0.018 0.000 1.114 160 D CA -0.225 53.737 54.000 -0.063 0.000 0.854 160 D CB 1.295 41.997 40.800 -0.164 0.000 1.132 160 D HN 0.471 nan 8.370 nan 0.000 0.461 161 L N 6.138 127.369 121.223 0.014 0.000 2.384 161 L HA 0.309 4.648 4.340 -0.002 0.000 0.261 161 L C -2.287 174.630 176.870 0.078 0.000 1.024 161 L CA -1.827 53.045 54.840 0.053 0.000 0.899 161 L CB 1.940 44.045 42.059 0.077 0.000 1.243 161 L HN 0.158 nan 8.230 nan 0.000 0.449 162 P HA -0.112 nan 4.420 nan 0.000 0.264 162 P C 0.180 177.604 177.300 0.207 0.000 1.193 162 P CA -0.045 63.124 63.100 0.115 0.000 0.763 162 P CB 0.528 32.266 31.700 0.062 0.000 0.810 163 W N 5.222 126.547 121.300 0.042 0.000 2.305 163 W HA -0.247 4.412 4.660 -0.000 0.000 0.308 163 W C 1.493 178.001 176.519 -0.018 0.000 1.226 163 W CA 2.538 59.892 57.345 0.016 0.000 1.253 163 W CB -0.836 28.608 29.460 -0.026 0.000 1.146 163 W HN 0.462 nan 8.180 nan 0.000 0.507 164 D N -0.389 120.042 120.400 0.052 0.000 2.097 164 D HA -0.218 4.421 4.640 -0.002 0.000 0.197 164 D C 2.082 178.367 176.300 -0.026 0.000 0.984 164 D CA 1.615 55.560 54.000 -0.092 0.000 0.826 164 D CB -1.149 39.597 40.800 -0.090 0.000 0.973 164 D HN 0.118 nan 8.370 nan 0.000 0.460 165 I N 0.882 121.467 120.570 0.024 0.000 2.208 165 I HA -0.176 3.993 4.170 -0.002 0.000 0.245 165 I C 2.659 178.804 176.117 0.046 0.000 1.097 165 I CA 0.648 61.964 61.300 0.026 0.000 1.363 165 I CB -0.869 37.151 38.000 0.034 0.000 1.051 165 I HN 0.096 nan 8.210 nan 0.000 0.413 166 L N -0.828 120.450 121.223 0.093 0.000 2.191 166 L HA -0.191 4.148 4.340 -0.002 0.000 0.212 166 L C 2.532 179.457 176.870 0.092 0.000 1.103 166 L CA 1.156 56.065 54.840 0.114 0.000 0.769 166 L CB -0.239 41.929 42.059 0.182 0.000 0.908 166 L HN 0.238 nan 8.230 nan 0.000 0.438 167 M N -1.279 118.353 119.600 0.054 0.000 2.394 167 M HA 0.007 4.486 4.480 -0.002 0.000 0.266 167 M C 0.242 176.532 176.300 -0.017 0.000 1.098 167 M CA 0.109 55.412 55.300 0.005 0.000 1.149 167 M CB 0.117 32.652 32.600 -0.108 0.000 1.369 167 M HN 0.179 nan 8.290 nan 0.000 0.450 168 N N 2.750 121.435 118.700 -0.025 0.000 2.412 168 N HA -0.010 4.729 4.740 -0.002 0.000 0.254 168 N C -0.586 174.919 175.510 -0.008 0.000 1.232 168 N CA 0.619 53.653 53.050 -0.027 0.000 0.880 168 N CB 0.354 38.823 38.487 -0.030 0.000 1.076 168 N HN 0.336 nan 8.380 nan 0.000 0.458 169 Q N 1.192 120.986 119.800 -0.010 0.000 2.271 169 Q HA 0.584 4.923 4.340 -0.002 0.000 0.258 169 Q C 0.047 176.045 176.000 -0.002 0.000 0.936 169 Q CA -0.571 55.232 55.803 -0.000 0.000 0.909 169 Q CB 1.480 30.218 28.738 0.000 0.000 1.253 169 Q HN 0.631 nan 8.270 nan 0.000 0.440 170 I N -2.581 117.991 120.570 0.004 0.000 3.108 170 I HA 0.529 4.698 4.170 -0.002 0.000 0.312 170 I C -0.520 175.602 176.117 0.008 0.000 1.095 170 I CA -1.192 60.110 61.300 0.003 0.000 1.000 170 I CB 1.871 39.873 38.000 0.003 0.000 1.229 170 I HN 0.328 nan 8.210 nan 0.000 0.454 171 D N 2.374 122.778 120.400 0.007 0.000 2.371 171 D HA 0.044 4.683 4.640 -0.002 0.000 0.256 171 D C 0.846 177.154 176.300 0.015 0.000 1.193 171 D CA 0.472 54.478 54.000 0.010 0.000 0.881 171 D CB 1.294 42.099 40.800 0.008 0.000 1.143 171 D HN 0.693 nan 8.370 nan 0.000 0.473 172 E N 1.926 122.136 120.200 0.017 0.000 2.114 172 E HA -0.201 4.148 4.350 -0.002 0.000 0.199 172 E C 0.194 176.806 176.600 0.020 0.000 1.008 172 E CA 1.113 57.526 56.400 0.021 0.000 0.810 172 E CB 0.217 29.931 29.700 0.023 0.000 0.739 172 E HN 0.501 nan 8.360 nan 0.000 0.456 173 D N -0.779 119.631 120.400 0.017 0.000 2.690 173 D HA 0.024 4.663 4.640 -0.002 0.000 0.236 173 D C 0.623 176.932 176.300 0.015 0.000 1.218 173 D CA 0.250 54.260 54.000 0.016 0.000 0.829 173 D CB 0.574 41.382 40.800 0.013 0.000 1.009 173 D HN 0.105 nan 8.370 nan 0.000 0.482 174 S N -1.774 113.936 115.700 0.017 0.000 2.649 174 S HA 0.129 4.598 4.470 -0.002 0.000 0.246 174 S C 0.289 174.903 174.600 0.023 0.000 1.057 174 S CA -0.379 57.831 58.200 0.017 0.000 1.051 174 S CB 1.067 64.275 63.200 0.013 0.000 1.018 174 S HN 0.046 nan 8.310 nan 0.000 0.569 175 V N 2.141 122.070 119.914 0.026 0.000 2.540 175 V HA 0.699 4.818 4.120 -0.002 0.000 0.302 175 V C -1.110 175.002 176.094 0.031 0.000 1.035 175 V CA -1.196 61.123 62.300 0.033 0.000 0.873 175 V CB 1.601 33.446 31.823 0.037 0.000 0.992 175 V HN 0.480 nan 8.190 nan 0.000 0.428 176 I N 7.413 128.003 120.570 0.033 0.000 2.352 176 I HA 0.451 4.620 4.170 -0.002 0.000 0.290 176 I C -0.128 176.006 176.117 0.029 0.000 1.036 176 I CA 0.233 61.549 61.300 0.028 0.000 1.336 176 I CB 0.810 38.824 38.000 0.024 0.000 1.407 176 I HN 0.576 nan 8.210 nan 0.000 0.497 177 I N 10.387 130.972 120.570 0.026 0.000 2.291 177 I HA 0.289 4.457 4.170 -0.002 0.000 0.292 177 I C -1.906 174.223 176.117 0.020 0.000 1.064 177 I CA -1.644 59.672 61.300 0.025 0.000 1.269 177 I CB 0.279 38.293 38.000 0.024 0.000 1.418 177 I HN 0.496 nan 8.210 nan 0.000 0.485 178 P HA 0.187 nan 4.420 nan 0.000 0.277 178 P C -0.983 176.323 177.300 0.011 0.000 1.240 178 P CA -0.450 62.657 63.100 0.012 0.000 0.798 178 P CB 0.649 32.354 31.700 0.009 0.000 0.979 179 D N 0.902 121.307 120.400 0.008 0.000 2.283 179 D HA 0.107 4.746 4.640 -0.002 0.000 0.248 179 D C 0.068 176.371 176.300 0.005 0.000 1.072 179 D CA -0.329 53.676 54.000 0.008 0.000 0.929 179 D CB 0.881 41.686 40.800 0.009 0.000 1.182 179 D HN 0.203 nan 8.370 nan 0.000 0.433 180 L N 2.528 123.755 121.223 0.007 0.000 2.617 180 L HA 0.030 4.369 4.340 -0.002 0.000 0.282 180 L C -0.660 176.212 176.870 0.004 0.000 1.174 180 L CA 0.045 54.887 54.840 0.004 0.000 1.016 180 L CB -0.296 41.768 42.059 0.007 0.000 1.337 180 L HN 0.088 nan 8.230 nan 0.000 0.460 181 V N 6.955 126.868 119.914 -0.001 0.000 2.221 181 V HA 0.332 4.451 4.120 -0.002 0.000 0.258 181 V C -0.203 175.890 176.094 -0.002 0.000 1.179 181 V CA -0.386 61.914 62.300 0.001 0.000 1.022 181 V CB 0.308 32.130 31.823 -0.002 0.000 1.228 181 V HN 0.626 nan 8.190 nan 0.000 0.487 182 L N 3.412 124.638 121.223 0.005 0.000 2.516 182 L HA 0.584 4.923 4.340 -0.002 0.000 0.267 182 L C 0.016 176.902 176.870 0.026 0.000 0.957 182 L CA -0.023 54.822 54.840 0.007 0.000 0.860 182 L CB 2.190 44.247 42.059 -0.003 0.000 1.265 182 L HN 0.360 nan 8.230 nan 0.000 0.403 183 S N 3.474 119.201 115.700 0.046 0.000 2.563 183 S HA 0.340 4.809 4.470 -0.002 0.000 0.294 183 S C 1.471 176.118 174.600 0.079 0.000 1.279 183 S CA 0.388 58.650 58.200 0.103 0.000 1.069 183 S CB 0.809 64.084 63.200 0.125 0.000 0.828 183 S HN 1.038 nan 8.310 nan 0.000 0.497 184 A N 4.683 127.529 122.820 0.044 0.000 2.066 184 A HA 0.118 4.437 4.320 -0.002 0.000 0.218 184 A C 0.495 178.000 177.584 -0.133 0.000 1.157 184 A CA 0.695 52.679 52.037 -0.088 0.000 0.670 184 A CB -0.670 18.221 19.000 -0.181 0.000 0.804 184 A HN 0.963 nan 8.150 nan 0.000 0.453 185 H N -0.407 118.657 119.070 -0.010 0.000 2.683 185 H HA 0.476 5.031 4.556 -0.002 0.000 0.339 185 H C 0.903 176.223 175.328 -0.014 0.000 1.081 185 H CA 0.381 56.422 56.048 -0.013 0.000 1.432 185 H CB 0.710 30.465 29.762 -0.012 0.000 1.462 185 H HN 0.268 nan 8.280 nan 0.000 0.557 186 G N 0.527 109.379 108.800 0.087 0.000 2.437 186 G HA2 0.516 4.475 3.960 -0.002 0.000 0.319 186 G HA3 0.516 4.475 3.960 -0.002 0.000 0.319 186 G C -0.387 174.535 174.900 0.036 0.000 1.158 186 G CA -0.467 44.659 45.100 0.042 0.000 0.899 186 G HN 0.847 nan 8.290 nan 0.000 0.502 187 A N 0.542 123.373 122.820 0.018 0.000 2.462 187 A HA 0.588 4.907 4.320 -0.002 0.000 0.243 187 A C 0.810 178.394 177.584 0.000 0.000 1.076 187 A CA -0.157 51.885 52.037 0.008 0.000 0.773 187 A CB 0.186 19.188 19.000 0.003 0.000 1.010 187 A HN 0.964 nan 8.150 nan 0.000 0.493 188 R N 1.795 122.293 120.500 -0.004 0.000 2.854 188 R HA 0.735 5.074 4.340 -0.002 0.000 0.271 188 R C -2.988 173.305 176.300 -0.012 0.000 0.996 188 R CA -1.762 54.331 56.100 -0.012 0.000 0.961 188 R CB 0.255 30.547 30.300 -0.014 0.000 1.182 188 R HN 0.392 nan 8.270 nan 0.000 0.479 189 P HA -0.000 nan 4.420 nan 0.000 0.269 189 P C -1.013 176.283 177.300 -0.006 0.000 1.217 189 P CA -0.146 62.947 63.100 -0.011 0.000 0.783 189 P CB 0.392 32.083 31.700 -0.015 0.000 0.898 190 D N 1.474 121.873 120.400 -0.001 0.000 2.424 190 D HA 0.040 4.679 4.640 -0.002 0.000 0.244 190 D C -1.396 174.907 176.300 0.005 0.000 1.134 190 D CA -1.367 52.634 54.000 0.002 0.000 0.881 190 D CB 0.327 41.129 40.800 0.004 0.000 1.191 190 D HN 0.136 nan 8.370 nan 0.000 0.445 191 P HA -0.290 nan 4.420 nan 0.000 0.219 191 P C 0.886 178.195 177.300 0.016 0.000 1.161 191 P CA 2.241 65.348 63.100 0.011 0.000 0.909 191 P CB -0.017 31.689 31.700 0.010 0.000 0.793 192 A N -0.580 122.248 122.820 0.013 0.000 1.940 192 A HA -0.240 4.079 4.320 -0.002 0.000 0.219 192 A C 2.015 179.610 177.584 0.019 0.000 1.176 192 A CA 2.233 54.279 52.037 0.015 0.000 0.631 192 A CB -1.319 17.688 19.000 0.012 0.000 0.814 192 A HN 0.135 nan 8.150 nan 0.000 0.446 193 D N -0.685 119.725 120.400 0.017 0.000 2.149 193 D HA -0.067 4.572 4.640 -0.002 0.000 0.201 193 D C 1.828 178.142 176.300 0.024 0.000 0.972 193 D CA 0.881 54.892 54.000 0.019 0.000 0.835 193 D CB -0.334 40.474 40.800 0.013 0.000 0.966 193 D HN 0.328 nan 8.370 nan 0.000 0.476 194 L N 1.162 122.397 121.223 0.020 0.000 2.083 194 L HA -0.138 4.201 4.340 -0.002 0.000 0.209 194 L C 1.527 178.428 176.870 0.052 0.000 1.083 194 L CA 1.614 56.468 54.840 0.024 0.000 0.752 194 L CB -0.257 41.808 42.059 0.011 0.000 0.899 194 L HN -0.158 nan 8.230 nan 0.000 0.433 195 D N -1.035 119.394 120.400 0.048 0.000 2.117 195 D HA -0.241 4.398 4.640 -0.002 0.000 0.197 195 D C 2.050 178.385 176.300 0.059 0.000 0.987 195 D CA 1.196 55.230 54.000 0.056 0.000 0.829 195 D CB -0.021 40.801 40.800 0.036 0.000 0.961 195 D HN 0.477 nan 8.370 nan 0.000 0.460 196 Q N 0.144 119.972 119.800 0.047 0.000 2.084 196 Q HA -0.115 4.224 4.340 -0.002 0.000 0.202 196 Q C 2.031 178.072 176.000 0.067 0.000 0.978 196 Q CA 1.422 57.253 55.803 0.046 0.000 0.844 196 Q CB -0.012 28.747 28.738 0.035 0.000 0.898 196 Q HN 0.197 nan 8.270 nan 0.000 0.426 197 A N 0.667 123.532 122.820 0.075 0.000 1.877 197 A HA -0.178 4.141 4.320 -0.002 0.000 0.216 197 A C 2.010 179.691 177.584 0.162 0.000 1.186 197 A CA 1.298 53.393 52.037 0.098 0.000 0.620 197 A CB -0.723 18.320 19.000 0.072 0.000 0.822 197 A HN 0.439 nan 8.150 nan 0.000 0.443 198 L N -0.934 120.404 121.223 0.192 0.000 2.093 198 L HA -0.143 4.196 4.340 -0.002 0.000 0.208 198 L C 3.082 180.088 176.870 0.227 0.000 1.085 198 L CA 0.899 55.937 54.840 0.330 0.000 0.755 198 L CB -0.562 41.709 42.059 0.353 0.000 0.904 198 L HN 0.434 nan 8.230 nan 0.000 0.435 199 A N 0.252 123.136 122.820 0.106 0.000 1.902 199 A HA -0.167 4.152 4.320 -0.002 0.000 0.217 199 A C 2.254 179.868 177.584 0.050 0.000 1.181 199 A CA 1.480 53.538 52.037 0.034 0.000 0.623 199 A CB -0.642 18.369 19.000 0.019 0.000 0.818 199 A HN 0.356 nan 8.150 nan 0.000 0.443 200 L N -1.392 119.882 121.223 0.085 0.000 2.109 200 L HA -0.104 4.235 4.340 -0.002 0.000 0.207 200 L C 2.424 179.369 176.870 0.124 0.000 1.086 200 L CA 0.757 55.647 54.840 0.084 0.000 0.760 200 L CB -0.394 41.713 42.059 0.080 0.000 0.910 200 L HN 0.383 nan 8.230 nan 0.000 0.437 201 L N -0.382 120.967 121.223 0.211 0.000 2.265 201 L HA -0.164 4.175 4.340 -0.002 0.000 0.215 201 L C 2.636 179.729 176.870 0.372 0.000 1.117 201 L CA 1.554 56.584 54.840 0.316 0.000 0.782 201 L CB -0.432 41.895 42.059 0.446 0.000 0.914 201 L HN 0.104 nan 8.230 nan 0.000 0.441 202 R N -0.250 120.374 120.500 0.206 0.000 2.066 202 R HA -0.089 4.250 4.340 -0.002 0.000 0.224 202 R C 1.970 178.283 176.300 0.021 0.000 1.122 202 R CA 1.357 57.468 56.100 0.019 0.000 0.974 202 R CB -0.153 29.995 30.300 -0.253 0.000 0.871 202 R HN 0.410 nan 8.270 nan 0.000 0.435 203 K N 0.436 120.843 120.400 0.011 0.000 2.555 203 K HA 0.128 4.447 4.320 -0.002 0.000 0.193 203 K C 0.239 176.842 176.600 0.005 0.000 1.032 203 K CA 0.609 56.896 56.287 -0.001 0.000 1.004 203 K CB 0.271 32.767 32.500 -0.006 0.000 0.804 203 K HN -0.043 nan 8.250 nan 0.000 0.496 204 A N 1.756 124.594 122.820 0.030 0.000 2.362 204 A HA 0.129 4.448 4.320 -0.002 0.000 0.276 204 A C 0.316 177.873 177.584 -0.046 0.000 1.153 204 A CA -0.615 51.421 52.037 -0.001 0.000 0.813 204 A CB 0.471 19.490 19.000 0.032 0.000 1.081 204 A HN 0.392 nan 8.150 nan 0.000 0.507 205 E N 1.244 121.373 120.200 -0.118 0.000 2.299 205 E HA -0.017 4.332 4.350 -0.002 0.000 0.193 205 E C 0.179 176.516 176.600 -0.439 0.000 0.998 205 E CA 0.679 56.967 56.400 -0.187 0.000 0.851 205 E CB 0.162 29.766 29.700 -0.160 0.000 0.795 205 E HN 0.637 nan 8.360 nan 0.000 0.492 206 R N 0.852 121.014 120.500 -0.563 0.000 2.638 206 R HA 0.188 4.527 4.340 -0.002 0.000 0.261 206 R C -2.684 173.360 176.300 -0.428 0.000 1.515 206 R CA -1.275 54.093 56.100 -1.220 0.000 1.623 206 R CB 1.372 30.783 30.300 -1.481 0.000 1.347 206 R HN 0.038 nan 8.270 nan 0.000 0.705 207 P HA 0.247 nan 4.420 nan 0.000 0.276 207 P C -0.417 177.122 177.300 0.399 0.000 1.244 207 P CA -0.295 62.916 63.100 0.186 0.000 0.801 207 P CB 1.861 33.667 31.700 0.178 0.000 1.006 208 V N 2.677 122.753 119.914 0.270 0.000 2.932 208 V HA 0.380 4.499 4.120 -0.002 0.000 0.307 208 V C -0.090 176.112 176.094 0.180 0.000 1.147 208 V CA -0.637 61.830 62.300 0.278 0.000 0.951 208 V CB 2.267 34.227 31.823 0.228 0.000 1.031 208 V HN 0.360 nan 8.190 nan 0.000 0.426 209 I N 3.848 124.533 120.570 0.190 0.000 2.441 209 I HA 0.629 4.798 4.170 -0.002 0.000 0.295 209 I C -0.793 175.407 176.117 0.139 0.000 0.994 209 I CA -0.915 60.472 61.300 0.145 0.000 1.144 209 I CB 2.039 40.129 38.000 0.151 0.000 1.314 209 I HN 0.224 nan 8.210 nan 0.000 0.445 210 V N 6.900 126.852 119.914 0.064 0.000 2.407 210 V HA 0.430 4.549 4.120 -0.002 0.000 0.291 210 V C -0.096 175.996 176.094 -0.003 0.000 1.018 210 V CA -0.542 61.774 62.300 0.026 0.000 0.842 210 V CB 1.631 33.414 31.823 -0.066 0.000 0.996 210 V HN 0.477 nan 8.190 nan 0.000 0.426 211 L N 4.014 125.241 121.223 0.007 0.000 2.343 211 L HA 0.867 5.206 4.340 -0.002 0.000 0.275 211 L C 0.887 177.738 176.870 -0.032 0.000 1.056 211 L CA -0.019 54.816 54.840 -0.009 0.000 0.804 211 L CB 1.559 43.619 42.059 0.002 0.000 1.203 211 L HN 0.763 nan 8.230 nan 0.000 0.440 212 G N -0.559 108.219 108.800 -0.037 0.000 3.108 212 G HA2 0.339 4.298 3.960 -0.002 0.000 0.268 212 G HA3 0.339 4.298 3.960 -0.002 0.000 0.268 212 G C 0.691 175.573 174.900 -0.030 0.000 1.361 212 G CA 0.277 45.350 45.100 -0.044 0.000 1.047 212 G HN 0.627 nan 8.290 nan 0.000 0.540 213 S N -0.760 114.920 115.700 -0.032 0.000 2.383 213 S HA -0.136 4.333 4.470 -0.002 0.000 0.229 213 S C 1.588 176.174 174.600 -0.022 0.000 1.030 213 S CA 1.958 60.142 58.200 -0.026 0.000 1.002 213 S CB -0.230 62.953 63.200 -0.029 0.000 0.829 213 S HN 0.484 nan 8.310 nan 0.000 0.467 214 E N 1.582 121.768 120.200 -0.023 0.000 2.268 214 E HA 0.081 4.430 4.350 -0.002 0.000 0.195 214 E C 2.318 178.904 176.600 -0.022 0.000 0.995 214 E CA 0.943 57.331 56.400 -0.022 0.000 0.836 214 E CB -0.582 29.104 29.700 -0.022 0.000 0.763 214 E HN 0.726 nan 8.360 nan 0.000 0.491 215 A N 0.706 123.513 122.820 -0.022 0.000 1.898 215 A HA -0.110 4.209 4.320 -0.002 0.000 0.216 215 A C 2.485 180.057 177.584 -0.020 0.000 1.181 215 A CA 1.518 53.542 52.037 -0.021 0.000 0.620 215 A CB -0.337 18.653 19.000 -0.016 0.000 0.819 215 A HN 0.144 nan 8.150 nan 0.000 0.442 216 S N -0.537 115.152 115.700 -0.018 0.000 2.383 216 S HA -0.092 4.377 4.470 -0.002 0.000 0.227 216 S C 2.133 176.717 174.600 -0.026 0.000 1.026 216 S CA 0.837 59.025 58.200 -0.020 0.000 0.981 216 S CB -0.253 62.938 63.200 -0.015 0.000 0.818 216 S HN 0.487 nan 8.310 nan 0.000 0.472 217 R N 1.251 121.736 120.500 -0.024 0.000 2.096 217 R HA -0.055 4.284 4.340 -0.002 0.000 0.235 217 R C 2.561 178.844 176.300 -0.029 0.000 1.127 217 R CA 1.797 57.883 56.100 -0.025 0.000 0.968 217 R CB -1.730 28.560 30.300 -0.016 0.000 0.861 217 R HN 0.669 nan 8.270 nan 0.000 0.440 218 T N -2.240 112.296 114.554 -0.030 0.000 3.014 218 T HA 0.233 4.582 4.350 -0.002 0.000 0.263 218 T C 1.120 175.797 174.700 -0.040 0.000 1.078 218 T CA 0.659 62.738 62.100 -0.035 0.000 1.135 218 T CB -0.016 68.832 68.868 -0.033 0.000 0.895 218 T HN 0.291 nan 8.240 nan 0.000 0.480 219 A N 1.653 124.452 122.820 -0.035 0.000 2.687 219 A HA -0.154 4.165 4.320 -0.002 0.000 0.299 219 A C 0.710 178.274 177.584 -0.033 0.000 1.497 219 A CA 0.461 52.477 52.037 -0.034 0.000 0.751 219 A CB -1.926 17.050 19.000 -0.040 0.000 1.048 219 A HN 0.473 nan 8.150 nan 0.000 0.464 220 R N -0.067 120.416 120.500 -0.029 0.000 4.390 220 R HA 0.134 4.472 4.340 -0.002 0.000 0.229 220 R C 1.239 177.530 176.300 -0.014 0.000 1.674 220 R CA 0.321 56.406 56.100 -0.025 0.000 1.526 220 R CB -0.020 30.264 30.300 -0.027 0.000 1.418 220 R HN 0.812 nan 8.270 nan 0.000 0.790 221 K N -0.180 120.210 120.400 -0.016 0.000 2.001 221 K HA -0.122 4.197 4.320 -0.002 0.000 0.208 221 K C 1.851 178.447 176.600 -0.007 0.000 1.048 221 K CA 1.997 58.276 56.287 -0.013 0.000 0.932 221 K CB -0.208 32.280 32.500 -0.020 0.000 0.715 221 K HN 0.292 nan 8.250 nan 0.000 0.437 222 T N -0.099 114.450 114.554 -0.008 0.000 2.821 222 T HA -0.044 4.305 4.350 -0.002 0.000 0.267 222 T C 2.294 176.999 174.700 0.008 0.000 1.046 222 T CA 1.030 63.127 62.100 -0.004 0.000 1.139 222 T CB -0.321 68.543 68.868 -0.006 0.000 0.871 222 T HN 0.221 nan 8.240 nan 0.000 0.454 223 A N 1.310 124.137 122.820 0.011 0.000 1.930 223 A HA 0.172 4.491 4.320 -0.002 0.000 0.217 223 A C 2.313 179.931 177.584 0.057 0.000 1.175 223 A CA 1.401 53.452 52.037 0.024 0.000 0.627 223 A CB -0.877 18.127 19.000 0.007 0.000 0.815 223 A HN 0.463 nan 8.150 nan 0.000 0.443 224 L N -0.245 121.008 121.223 0.051 0.000 2.017 224 L HA -0.096 4.243 4.340 -0.002 0.000 0.208 224 L C 2.577 179.496 176.870 0.081 0.000 1.073 224 L CA 2.471 57.369 54.840 0.096 0.000 0.745 224 L CB -0.814 41.278 42.059 0.054 0.000 0.894 224 L HN 0.287 nan 8.230 nan 0.000 0.432 225 S N -0.471 115.241 115.700 0.021 0.000 2.365 225 S HA -0.246 4.223 4.470 -0.002 0.000 0.225 225 S C 2.081 176.669 174.600 -0.021 0.000 1.039 225 S CA 1.306 59.496 58.200 -0.017 0.000 1.033 225 S CB -0.610 62.576 63.200 -0.024 0.000 0.887 225 S HN 0.686 nan 8.310 nan 0.000 0.447 226 A N 0.617 123.445 122.820 0.013 0.000 1.883 226 A HA -0.131 4.188 4.320 -0.002 0.000 0.217 226 A C 1.955 179.551 177.584 0.018 0.000 1.186 226 A CA 1.770 53.816 52.037 0.015 0.000 0.624 226 A CB -0.945 18.077 19.000 0.037 0.000 0.822 226 A HN 0.618 nan 8.150 nan 0.000 0.444 227 F N 0.424 120.319 119.950 -0.093 0.000 2.146 227 F HA -0.124 4.402 4.527 -0.002 0.000 0.298 227 F C 2.070 177.758 175.800 -0.186 0.000 1.096 227 F CA 1.812 59.729 58.000 -0.137 0.000 1.275 227 F CB -0.046 38.888 39.000 -0.109 0.000 1.008 227 F HN 0.036 nan 8.300 nan 0.000 0.480 228 V N 0.829 120.493 119.914 -0.416 0.000 2.307 228 V HA -0.257 3.862 4.120 -0.002 0.000 0.245 228 V C 2.796 178.671 176.094 -0.365 0.000 1.045 228 V CA 1.726 63.731 62.300 -0.492 0.000 1.024 228 V CB -1.439 30.230 31.823 -0.258 0.000 0.651 228 V HN 0.493 nan 8.190 nan 0.000 0.449 229 A N 0.079 122.764 122.820 -0.226 0.000 1.902 229 A HA -0.096 4.223 4.320 -0.002 0.000 0.217 229 A C 2.353 179.832 177.584 -0.175 0.000 1.181 229 A CA 2.026 53.966 52.037 -0.161 0.000 0.623 229 A CB -0.722 18.221 19.000 -0.096 0.000 0.818 229 A HN 0.575 nan 8.150 nan 0.000 0.443 230 A N -0.803 121.888 122.820 -0.214 0.000 2.066 230 A HA 0.037 4.356 4.320 -0.002 0.000 0.218 230 A C 2.219 179.553 177.584 -0.416 0.000 1.157 230 A CA 2.201 54.112 52.037 -0.210 0.000 0.670 230 A CB -0.702 18.209 19.000 -0.148 0.000 0.804 230 A HN 0.739 nan 8.150 nan 0.000 0.453 231 T N -5.873 108.311 114.554 -0.617 0.000 2.978 231 T HA 0.405 4.754 4.350 -0.002 0.000 0.248 231 T C 1.463 175.953 174.700 -0.349 0.000 1.018 231 T CA 1.126 62.730 62.100 -0.826 0.000 1.026 231 T CB -0.015 68.099 68.868 -1.257 0.000 1.032 231 T HN 1.609 nan 8.240 nan 0.000 0.485 232 G N 1.383 110.009 108.800 -0.291 0.000 2.179 232 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.257 232 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.257 232 G C 0.014 174.850 174.900 -0.106 0.000 1.010 232 G CA 0.123 45.135 45.100 -0.147 0.000 0.736 232 G HN 0.773 nan 8.290 nan 0.000 0.513 233 V N 2.610 122.412 119.914 -0.187 0.000 2.406 233 V HA 0.385 4.504 4.120 -0.002 0.000 0.272 233 V C -1.086 174.954 176.094 -0.091 0.000 1.043 233 V CA -1.496 60.762 62.300 -0.070 0.000 0.915 233 V CB 1.304 33.060 31.823 -0.110 0.000 0.988 233 V HN 0.243 nan 8.190 nan 0.000 0.466 234 P HA 0.124 nan 4.420 nan 0.000 0.266 234 P C -0.751 176.508 177.300 -0.069 0.000 1.195 234 P CA 0.137 63.154 63.100 -0.138 0.000 0.768 234 P CB 0.884 32.448 31.700 -0.226 0.000 0.838 235 V N 3.557 123.356 119.914 -0.192 0.000 2.555 235 V HA 0.474 4.593 4.120 -0.002 0.000 0.302 235 V C 0.061 175.995 176.094 -0.267 0.000 1.038 235 V CA -0.382 61.854 62.300 -0.106 0.000 0.887 235 V CB 1.028 32.795 31.823 -0.093 0.000 0.991 235 V HN 0.393 nan 8.190 nan 0.000 0.434 236 F N 1.480 121.380 119.950 -0.084 0.000 2.639 236 F HA 0.941 5.467 4.527 -0.002 0.000 0.339 236 F C 0.404 176.151 175.800 -0.088 0.000 1.071 236 F CA -0.507 57.432 58.000 -0.101 0.000 0.994 236 F CB 2.163 41.083 39.000 -0.134 0.000 1.341 236 F HN 0.686 nan 8.300 nan 0.000 0.498 237 A N 0.392 123.283 122.820 0.119 0.000 2.612 237 A HA 0.568 4.887 4.320 -0.002 0.000 0.293 237 A C -1.760 175.807 177.584 -0.028 0.000 1.075 237 A CA -0.868 51.182 52.037 0.023 0.000 0.680 237 A CB 1.085 20.086 19.000 0.002 0.000 1.279 237 A HN 0.659 nan 8.150 nan 0.000 0.411 238 D N -0.234 120.118 120.400 -0.079 0.000 2.433 238 D HA 0.291 4.930 4.640 -0.002 0.000 0.255 238 D C 0.707 176.973 176.300 -0.057 0.000 1.226 238 D CA -0.237 53.656 54.000 -0.179 0.000 1.015 238 D CB -0.039 40.639 40.800 -0.203 0.000 1.091 238 D HN 0.417 nan 8.370 nan 0.000 0.527 239 Y N -0.824 119.512 120.300 0.061 0.000 2.102 239 Y HA -0.155 4.394 4.550 -0.002 0.000 0.280 239 Y C 2.392 178.385 175.900 0.155 0.000 1.178 239 Y CA 1.745 59.964 58.100 0.199 0.000 1.146 239 Y CB -0.802 37.708 38.460 0.083 0.000 0.968 239 Y HN 0.477 nan 8.280 nan 0.000 0.504 240 E N -0.490 119.806 120.200 0.159 0.000 2.274 240 E HA -0.017 4.332 4.350 -0.002 0.000 0.194 240 E C 2.295 178.929 176.600 0.057 0.000 0.996 240 E CA 0.981 57.420 56.400 0.065 0.000 0.840 240 E CB -0.483 29.211 29.700 -0.009 0.000 0.772 240 E HN 0.389 nan 8.360 nan 0.000 0.491 241 G N -0.353 108.475 108.800 0.048 0.000 3.042 241 G HA2 -0.055 3.904 3.960 -0.002 0.000 0.212 241 G HA3 -0.055 3.904 3.960 -0.002 0.000 0.212 241 G C 1.254 176.173 174.900 0.032 0.000 1.166 241 G CA 0.108 45.222 45.100 0.024 0.000 0.767 241 G HN 0.257 nan 8.290 nan 0.000 0.546 242 L N 2.143 123.412 121.223 0.077 0.000 2.012 242 L HA -0.092 4.247 4.340 -0.002 0.000 0.210 242 L C 3.016 179.887 176.870 0.002 0.000 1.073 242 L CA 2.610 57.469 54.840 0.032 0.000 0.748 242 L CB -0.578 41.498 42.059 0.029 0.000 0.891 242 L HN 0.269 nan 8.230 nan 0.000 0.431 243 S N -1.832 113.893 115.700 0.043 0.000 2.469 243 S HA -0.176 4.293 4.470 -0.002 0.000 0.238 243 S C 1.840 176.435 174.600 -0.009 0.000 0.998 243 S CA 0.977 59.187 58.200 0.016 0.000 0.957 243 S CB -0.558 62.665 63.200 0.039 0.000 0.764 243 S HN 0.392 nan 8.310 nan 0.000 0.514 244 M N 0.996 120.591 119.600 -0.008 0.000 2.557 244 M HA 0.285 4.764 4.480 -0.002 0.000 0.259 244 M C 1.381 177.661 176.300 -0.032 0.000 1.086 244 M CA 0.643 55.933 55.300 -0.017 0.000 1.096 244 M CB -1.096 31.498 32.600 -0.010 0.000 1.424 244 M HN 0.408 nan 8.290 nan 0.000 0.488 245 L N -1.501 119.694 121.223 -0.047 0.000 2.591 245 L HA 0.039 4.378 4.340 -0.002 0.000 0.228 245 L C 1.894 178.717 176.870 -0.078 0.000 1.133 245 L CA -0.021 54.775 54.840 -0.074 0.000 0.880 245 L CB -0.372 41.626 42.059 -0.102 0.000 1.033 245 L HN 0.090 nan 8.230 nan 0.000 0.450 246 S N 0.224 115.887 115.700 -0.062 0.000 2.489 246 S HA 0.002 4.470 4.470 -0.002 0.000 0.228 246 S C 1.742 176.307 174.600 -0.058 0.000 0.995 246 S CA 0.976 59.139 58.200 -0.062 0.000 0.934 246 S CB 0.067 63.238 63.200 -0.049 0.000 0.771 246 S HN 0.572 nan 8.310 nan 0.000 0.522 247 G N 0.521 109.289 108.800 -0.054 0.000 3.393 247 G HA2 0.418 4.377 3.960 -0.002 0.000 0.255 247 G HA3 0.418 4.377 3.960 -0.002 0.000 0.255 247 G C 0.033 174.898 174.900 -0.057 0.000 1.097 247 G CA -0.288 44.783 45.100 -0.050 0.000 0.780 247 G HN 0.281 nan 8.290 nan 0.000 0.540 248 L N 1.035 122.216 121.223 -0.071 0.000 2.334 248 L HA 0.396 4.735 4.340 -0.002 0.000 0.275 248 L C -2.028 174.786 176.870 -0.094 0.000 1.036 248 L CA -2.162 52.627 54.840 -0.084 0.000 0.807 248 L CB 1.580 43.580 42.059 -0.098 0.000 1.231 248 L HN -0.143 nan 8.230 nan 0.000 0.438 249 P HA -0.109 nan 4.420 nan 0.000 0.264 249 P C 0.089 177.323 177.300 -0.110 0.000 1.173 249 P CA 0.042 63.085 63.100 -0.096 0.000 0.761 249 P CB 0.355 31.996 31.700 -0.098 0.000 0.794 250 D N 2.405 122.744 120.400 -0.101 0.000 2.158 250 D HA -0.213 4.426 4.640 -0.002 0.000 0.197 250 D C 1.232 177.457 176.300 -0.125 0.000 0.995 250 D CA 1.889 55.823 54.000 -0.109 0.000 0.846 250 D CB -0.757 39.987 40.800 -0.093 0.000 0.941 250 D HN 0.396 nan 8.370 nan 0.000 0.456 251 A N -0.143 122.605 122.820 -0.120 0.000 2.251 251 A HA 0.160 4.479 4.320 -0.002 0.000 0.209 251 A C 1.949 179.434 177.584 -0.166 0.000 1.187 251 A CA 0.287 52.247 52.037 -0.129 0.000 0.823 251 A CB -0.219 18.720 19.000 -0.101 0.000 0.846 251 A HN 0.228 nan 8.150 nan 0.000 0.486 252 M N -1.416 118.074 119.600 -0.184 0.000 2.279 252 M HA 0.260 4.739 4.480 -0.002 0.000 0.306 252 M C 0.039 176.172 176.300 -0.279 0.000 0.965 252 M CA 0.110 55.281 55.300 -0.215 0.000 1.038 252 M CB 0.071 32.561 32.600 -0.184 0.000 1.636 252 M HN 0.141 nan 8.290 nan 0.000 0.574 253 R N 1.558 121.893 120.500 -0.275 0.000 2.242 253 R HA 0.325 4.664 4.340 -0.002 0.000 0.334 253 R C 1.353 177.366 176.300 -0.480 0.000 1.071 253 R CA -0.051 55.848 56.100 -0.335 0.000 0.922 253 R CB 0.612 30.768 30.300 -0.241 0.000 1.023 253 R HN 0.285 nan 8.270 nan 0.000 0.458 254 G N 1.920 110.190 108.800 -0.883 0.000 2.494 254 G HA2 0.193 4.152 3.960 -0.002 0.000 0.216 254 G HA3 0.193 4.152 3.960 -0.002 0.000 0.216 254 G C 0.781 175.205 174.900 -0.793 0.000 1.140 254 G CA 0.614 44.844 45.100 -1.449 0.000 0.801 254 G HN 0.907 nan 8.290 nan 0.000 0.536 255 G N -0.361 108.115 108.800 -0.541 0.000 2.484 255 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.225 255 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.225 255 G C -0.183 174.700 174.900 -0.027 0.000 1.250 255 G CA -0.348 44.633 45.100 -0.198 0.000 0.926 255 G HN 0.584 nan 8.290 nan 0.000 0.581 256 L N 1.453 122.706 121.223 0.049 0.000 2.410 256 L HA 0.274 4.613 4.340 -0.002 0.000 0.273 256 L C 2.370 179.333 176.870 0.156 0.000 1.152 256 L CA 0.057 54.938 54.840 0.068 0.000 0.855 256 L CB 1.297 43.379 42.059 0.038 0.000 1.129 256 L HN 0.931 nan 8.230 nan 0.000 0.463 257 V N 0.640 120.600 119.914 0.076 0.000 2.439 257 V HA -0.332 3.787 4.120 -0.002 0.000 0.253 257 V C 2.178 178.219 176.094 -0.089 0.000 1.074 257 V CA 1.996 64.264 62.300 -0.054 0.000 1.076 257 V CB -1.366 30.367 31.823 -0.150 0.000 0.664 257 V HN 1.083 nan 8.190 nan 0.000 0.461 258 Q N 3.501 123.276 119.800 -0.042 0.000 2.197 258 Q HA -0.292 4.047 4.340 -0.002 0.000 0.207 258 Q C 1.589 177.637 176.000 0.080 0.000 0.984 258 Q CA 2.316 58.117 55.803 -0.002 0.000 0.869 258 Q CB -1.014 27.725 28.738 0.003 0.000 0.906 258 Q HN 0.869 nan 8.270 nan 0.000 0.426 259 N N 0.325 119.104 118.700 0.132 0.000 2.370 259 N HA 0.041 4.780 4.740 -0.002 0.000 0.198 259 N C 0.943 176.582 175.510 0.216 0.000 1.156 259 N CA 0.203 53.395 53.050 0.236 0.000 0.839 259 N CB -0.011 38.648 38.487 0.287 0.000 0.989 259 N HN 0.267 nan 8.380 nan 0.000 0.468 260 L N -0.681 120.481 121.223 -0.100 0.000 2.599 260 L HA 0.060 4.399 4.340 -0.002 0.000 0.230 260 L C 1.562 178.447 176.870 0.026 0.000 1.141 260 L CA 0.125 54.714 54.840 -0.418 0.000 0.877 260 L CB -0.347 41.278 42.059 -0.724 0.000 1.009 260 L HN 0.188 nan 8.230 nan 0.000 0.447 261 Y N 1.167 121.496 120.300 0.048 0.000 2.070 261 Y HA -0.327 4.222 4.550 -0.002 0.000 0.279 261 Y C 2.776 178.761 175.900 0.142 0.000 1.134 261 Y CA 1.972 60.116 58.100 0.074 0.000 1.113 261 Y CB -0.329 38.168 38.460 0.062 0.000 0.981 261 Y HN 0.245 nan 8.280 nan 0.000 0.487 262 S N -0.741 115.035 115.700 0.128 0.000 2.515 262 S HA -0.136 4.333 4.470 -0.002 0.000 0.231 262 S C 1.796 176.433 174.600 0.062 0.000 0.987 262 S CA 0.555 58.751 58.200 -0.008 0.000 0.936 262 S CB -1.371 61.891 63.200 0.103 0.000 0.766 262 S HN 0.446 nan 8.310 nan 0.000 0.528 263 F N 1.964 121.900 119.950 -0.023 0.000 2.373 263 F HA -0.052 4.474 4.527 -0.002 0.000 0.300 263 F C 2.517 178.314 175.800 -0.005 0.000 1.080 263 F CA 0.808 58.823 58.000 0.026 0.000 1.417 263 F CB -0.157 38.876 39.000 0.055 0.000 1.070 263 F HN 0.386 nan 8.300 nan 0.000 0.546 264 A N -0.339 122.534 122.820 0.088 0.000 1.973 264 A HA -0.023 4.296 4.320 -0.002 0.000 0.210 264 A C 2.035 179.598 177.584 -0.035 0.000 1.200 264 A CA 0.340 52.383 52.037 0.010 0.000 0.707 264 A CB -0.247 18.727 19.000 -0.042 0.000 0.862 264 A HN 0.198 nan 8.150 nan 0.000 0.461 265 K N 0.148 120.496 120.400 -0.087 0.000 2.160 265 K HA -0.034 4.285 4.320 -0.002 0.000 0.206 265 K C 0.797 177.372 176.600 -0.041 0.000 1.047 265 K CA 1.039 57.279 56.287 -0.079 0.000 0.930 265 K CB -0.292 32.147 32.500 -0.102 0.000 0.720 265 K HN 0.477 nan 8.250 nan 0.000 0.450 266 A N 1.160 123.959 122.820 -0.035 0.000 2.337 266 A HA 0.287 4.606 4.320 -0.002 0.000 0.331 266 A C -1.204 176.377 177.584 -0.005 0.000 1.137 266 A CA -0.807 51.214 52.037 -0.027 0.000 0.807 266 A CB 0.910 19.881 19.000 -0.050 0.000 1.250 266 A HN 0.003 nan 8.150 nan 0.000 0.468 267 D N 1.829 122.230 120.400 0.002 0.000 2.608 267 D HA 0.442 5.081 4.640 -0.002 0.000 0.224 267 D C 0.631 176.952 176.300 0.034 0.000 1.123 267 D CA 1.055 55.062 54.000 0.013 0.000 1.030 267 D CB 0.448 41.250 40.800 0.003 0.000 1.093 267 D HN 0.572 nan 8.370 nan 0.000 0.497 268 A N 0.620 123.487 122.820 0.078 0.000 2.635 268 A HA 0.535 4.854 4.320 -0.002 0.000 0.279 268 A C 0.900 178.651 177.584 0.278 0.000 1.122 268 A CA -0.369 51.773 52.037 0.175 0.000 0.965 268 A CB 0.343 19.450 19.000 0.178 0.000 1.221 268 A HN 0.371 nan 8.150 nan 0.000 0.566 269 A N 1.675 124.589 122.820 0.158 0.000 2.524 269 A HA 0.510 4.829 4.320 -0.002 0.000 0.250 269 A C -2.354 175.266 177.584 0.060 0.000 1.078 269 A CA -0.765 51.354 52.037 0.137 0.000 0.761 269 A CB -0.635 18.400 19.000 0.058 0.000 1.012 269 A HN 0.220 nan 8.150 nan 0.000 0.500 270 P HA -0.107 nan 4.420 nan 0.000 0.257 270 P C 0.681 177.951 177.300 -0.049 0.000 1.162 270 P CA 0.342 63.452 63.100 0.017 0.000 0.762 270 P CB 0.475 32.189 31.700 0.023 0.000 0.753 271 D N 2.836 123.159 120.400 -0.129 0.000 2.133 271 D HA -0.143 4.496 4.640 -0.002 0.000 0.195 271 D C 0.392 176.673 176.300 -0.033 0.000 0.997 271 D CA 1.364 55.303 54.000 -0.102 0.000 0.840 271 D CB 0.332 41.034 40.800 -0.163 0.000 0.947 271 D HN 0.250 nan 8.370 nan 0.000 0.452 272 L N -0.661 120.558 121.223 -0.006 0.000 2.556 272 L HA 0.396 4.735 4.340 -0.002 0.000 0.257 272 L C -1.914 174.986 176.870 0.051 0.000 0.955 272 L CA -0.637 54.222 54.840 0.032 0.000 0.850 272 L CB 2.358 44.445 42.059 0.046 0.000 1.398 272 L HN -0.227 nan 8.230 nan 0.000 0.412 273 V N 4.805 124.749 119.914 0.050 0.000 2.569 273 V HA 0.536 4.655 4.120 -0.002 0.000 0.301 273 V C -1.590 174.532 176.094 0.047 0.000 1.044 273 V CA -0.550 61.774 62.300 0.040 0.000 0.874 273 V CB 1.881 33.697 31.823 -0.011 0.000 1.002 273 V HN 0.713 nan 8.190 nan 0.000 0.424 274 L N 7.966 129.228 121.223 0.065 0.000 2.288 274 L HA 0.610 4.949 4.340 -0.002 0.000 0.283 274 L C -0.065 176.821 176.870 0.026 0.000 1.072 274 L CA 0.142 55.021 54.840 0.064 0.000 0.862 274 L CB 0.865 42.994 42.059 0.118 0.000 1.245 274 L HN 0.759 nan 8.230 nan 0.000 0.432 275 M N 6.445 126.036 119.600 -0.015 0.000 2.143 275 M HA 0.304 4.783 4.480 -0.002 0.000 0.348 275 M C -0.829 175.446 176.300 -0.042 0.000 1.375 275 M CA 0.210 55.473 55.300 -0.063 0.000 1.124 275 M CB 0.508 33.022 32.600 -0.144 0.000 1.669 275 M HN 0.441 nan 8.290 nan 0.000 0.469 276 L N 3.395 124.596 121.223 -0.036 0.000 2.301 276 L HA 0.462 4.801 4.340 -0.002 0.000 0.278 276 L C 1.060 177.906 176.870 -0.039 0.000 1.022 276 L CA -0.346 54.474 54.840 -0.034 0.000 0.854 276 L CB 1.027 43.072 42.059 -0.025 0.000 1.226 276 L HN 1.073 nan 8.230 nan 0.000 0.429 277 G N 2.165 110.941 108.800 -0.041 0.000 2.257 277 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.267 277 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.267 277 G C 0.535 175.405 174.900 -0.049 0.000 0.984 277 G CA 0.239 45.316 45.100 -0.038 0.000 0.626 277 G HN 0.811 nan 8.290 nan 0.000 0.540 278 A N 0.291 123.065 122.820 -0.076 0.000 2.440 278 A HA 0.693 5.012 4.320 -0.002 0.000 0.251 278 A C 0.718 178.218 177.584 -0.140 0.000 1.089 278 A CA 0.313 52.283 52.037 -0.112 0.000 0.779 278 A CB 0.290 19.198 19.000 -0.153 0.000 1.022 278 A HN 0.529 nan 8.150 nan 0.000 0.492 279 R N 0.820 121.261 120.500 -0.098 0.000 2.664 279 R HA 0.424 4.763 4.340 -0.002 0.000 0.286 279 R C -1.334 174.900 176.300 -0.110 0.000 0.967 279 R CA -0.463 55.602 56.100 -0.058 0.000 0.933 279 R CB 1.343 31.680 30.300 0.062 0.000 1.146 279 R HN 0.676 nan 8.270 nan 0.000 0.468 280 F N 1.311 121.257 119.950 -0.006 0.000 2.506 280 F HA 0.299 4.825 4.527 -0.002 0.000 0.371 280 F C 1.392 177.170 175.800 -0.036 0.000 1.078 280 F CA 1.432 59.422 58.000 -0.016 0.000 1.195 280 F CB 1.050 40.047 39.000 -0.005 0.000 1.099 280 F HN 0.748 nan 8.300 nan 0.000 0.548 281 G N 2.204 111.062 108.800 0.098 0.000 2.491 281 G HA2 -0.012 3.947 3.960 -0.002 0.000 0.183 281 G HA3 -0.012 3.947 3.960 -0.002 0.000 0.183 281 G C -0.149 174.495 174.900 -0.427 0.000 1.221 281 G CA -0.366 44.685 45.100 -0.081 0.000 0.996 281 G HN 0.534 nan 8.290 nan 0.000 0.474 282 L N 1.362 122.460 121.223 -0.208 0.000 1.963 282 L HA -0.058 4.281 4.340 -0.002 0.000 0.220 282 L C 2.510 179.273 176.870 -0.178 0.000 1.076 282 L CA 3.272 57.971 54.840 -0.236 0.000 0.772 282 L CB -1.028 41.143 42.059 0.187 0.000 0.892 282 L HN 0.592 nan 8.230 nan 0.000 0.435 283 N N -0.865 117.767 118.700 -0.112 0.000 2.166 283 N HA -0.123 4.616 4.740 -0.002 0.000 0.186 283 N C 1.452 176.859 175.510 -0.172 0.000 1.019 283 N CA 1.847 54.782 53.050 -0.191 0.000 0.856 283 N CB -0.685 37.639 38.487 -0.273 0.000 0.993 283 N HN 0.660 nan 8.380 nan 0.000 0.426 284 T N -3.242 111.225 114.554 -0.145 0.000 3.163 284 T HA 0.419 4.768 4.350 -0.002 0.000 0.252 284 T C 1.112 175.771 174.700 -0.068 0.000 1.056 284 T CA 0.184 62.202 62.100 -0.137 0.000 0.947 284 T CB 0.238 68.987 68.868 -0.198 0.000 1.016 284 T HN 0.298 nan 8.240 nan 0.000 0.554 285 G N 1.358 110.118 108.800 -0.066 0.000 2.149 285 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.235 285 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.235 285 G C 0.248 175.235 174.900 0.146 0.000 1.018 285 G CA 0.280 45.403 45.100 0.039 0.000 0.728 285 G HN 0.893 nan 8.290 nan 0.000 0.508 286 H N -1.872 117.273 119.070 0.125 0.000 1.452 286 H HA -0.206 4.349 4.556 -0.002 0.000 0.090 286 H C 1.913 177.338 175.328 0.161 0.000 1.168 286 H CA 2.276 58.406 56.048 0.138 0.000 1.901 286 H CB -1.162 28.657 29.762 0.095 0.000 2.257 286 H HN 1.132 nan 8.280 nan 0.000 0.961 287 G N -0.688 108.272 108.800 0.267 0.000 3.383 287 G HA2 0.171 4.130 3.960 -0.002 0.000 0.251 287 G HA3 0.171 4.130 3.960 -0.002 0.000 0.251 287 G C 1.113 176.129 174.900 0.193 0.000 1.203 287 G CA 0.727 45.920 45.100 0.155 0.000 0.852 287 G HN 0.480 nan 8.290 nan 0.000 0.531 288 S N 0.093 115.887 115.700 0.157 0.000 2.414 288 S HA 0.231 4.700 4.470 -0.002 0.000 0.227 288 S C 2.252 176.776 174.600 -0.126 0.000 1.022 288 S CA 1.604 59.876 58.200 0.120 0.000 0.958 288 S CB -0.303 62.977 63.200 0.132 0.000 0.797 288 S HN 1.326 nan 8.310 nan 0.000 0.493 289 G N 0.622 109.231 108.800 -0.317 0.000 2.184 289 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.264 289 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.264 289 G C 0.697 175.465 174.900 -0.221 0.000 0.975 289 G CA 0.763 45.517 45.100 -0.576 0.000 0.642 289 G HN 0.557 nan 8.290 nan 0.000 0.536 290 Q N -0.723 119.038 119.800 -0.066 0.000 2.096 290 Q HA 0.017 4.356 4.340 -0.002 0.000 0.204 290 Q C 2.618 178.629 176.000 0.019 0.000 0.982 290 Q CA 1.769 57.591 55.803 0.030 0.000 0.850 290 Q CB -0.084 28.745 28.738 0.153 0.000 0.901 290 Q HN 0.731 nan 8.270 nan 0.000 0.422 291 L N -0.956 120.259 121.223 -0.013 0.000 2.347 291 L HA 0.183 4.522 4.340 -0.002 0.000 0.196 291 L C 0.665 177.455 176.870 -0.134 0.000 1.072 291 L CA -0.004 54.790 54.840 -0.077 0.000 0.817 291 L CB 0.328 42.334 42.059 -0.090 0.000 1.029 291 L HN 0.038 nan 8.230 nan 0.000 0.478 292 I N 2.132 122.645 120.570 -0.095 0.000 2.287 292 I HA 0.210 4.379 4.170 -0.002 0.000 0.290 292 I C -2.247 173.832 176.117 -0.063 0.000 1.069 292 I CA -1.880 59.380 61.300 -0.067 0.000 1.237 292 I CB 0.732 38.729 38.000 -0.005 0.000 1.418 292 I HN -0.185 nan 8.210 nan 0.000 0.481 293 P HA -0.025 nan 4.420 nan 0.000 0.266 293 P C 0.571 177.846 177.300 -0.042 0.000 1.195 293 P CA 0.027 63.082 63.100 -0.075 0.000 0.768 293 P CB 0.405 32.093 31.700 -0.020 0.000 0.838 294 H N 0.873 119.965 119.070 0.037 0.000 2.489 294 H HA -0.087 4.468 4.556 -0.002 0.000 0.295 294 H C 1.632 176.971 175.328 0.018 0.000 1.082 294 H CA 2.080 58.144 56.048 0.026 0.000 1.295 294 H CB -0.445 29.326 29.762 0.014 0.000 1.380 294 H HN 0.446 nan 8.280 nan 0.000 0.548 295 S N -0.269 115.504 115.700 0.121 0.000 2.501 295 S HA 0.271 4.740 4.470 -0.002 0.000 0.220 295 S C 1.324 175.952 174.600 0.046 0.000 0.997 295 S CA 0.062 58.303 58.200 0.070 0.000 0.919 295 S CB 0.211 63.440 63.200 0.047 0.000 0.778 295 S HN 0.385 nan 8.310 nan 0.000 0.523 296 A N 2.307 125.154 122.820 0.044 0.000 2.407 296 A HA 0.401 4.719 4.320 -0.002 0.000 0.248 296 A C 0.357 177.969 177.584 0.048 0.000 1.082 296 A CA -0.505 51.552 52.037 0.033 0.000 0.785 296 A CB 0.193 19.208 19.000 0.026 0.000 1.020 296 A HN 0.377 nan 8.150 nan 0.000 0.489 297 Q N 0.773 120.597 119.800 0.040 0.000 2.297 297 Q HA 0.259 4.598 4.340 -0.002 0.000 0.267 297 Q C -0.751 175.288 176.000 0.065 0.000 1.006 297 Q CA 0.176 56.009 55.803 0.049 0.000 0.896 297 Q CB 1.047 29.811 28.738 0.043 0.000 1.186 297 Q HN 0.414 nan 8.270 nan 0.000 0.392 298 V N 5.381 125.345 119.914 0.082 0.000 2.357 298 V HA 0.378 4.497 4.120 -0.002 0.000 0.284 298 V C 0.151 176.299 176.094 0.091 0.000 1.018 298 V CA -0.552 61.810 62.300 0.103 0.000 0.841 298 V CB 1.080 33.011 31.823 0.181 0.000 0.991 298 V HN 0.574 nan 8.190 nan 0.000 0.437 299 I N 4.819 125.434 120.570 0.074 0.000 2.304 299 I HA 0.456 4.625 4.170 -0.002 0.000 0.291 299 I C 0.042 176.191 176.117 0.053 0.000 1.018 299 I CA -0.062 61.277 61.300 0.064 0.000 1.260 299 I CB 1.121 39.158 38.000 0.062 0.000 1.390 299 I HN 0.632 nan 8.210 nan 0.000 0.475 300 Q N 6.044 125.879 119.800 0.058 0.000 2.331 300 Q HA 0.601 4.940 4.340 -0.002 0.000 0.267 300 Q C -1.722 174.294 176.000 0.026 0.000 1.006 300 Q CA -0.679 55.149 55.803 0.043 0.000 0.818 300 Q CB 2.361 31.155 28.738 0.094 0.000 1.276 300 Q HN 0.540 nan 8.270 nan 0.000 0.450 301 V N 4.266 124.182 119.914 0.003 0.000 2.448 301 V HA 0.548 4.666 4.120 -0.002 0.000 0.295 301 V C -0.637 175.452 176.094 -0.009 0.000 1.025 301 V CA -0.549 61.748 62.300 -0.005 0.000 0.859 301 V CB 1.705 33.514 31.823 -0.023 0.000 0.988 301 V HN 0.838 nan 8.190 nan 0.000 0.431 302 D N 5.274 125.673 120.400 -0.002 0.000 2.836 302 D HA 0.293 4.932 4.640 -0.002 0.000 0.215 302 D C -2.286 174.013 176.300 -0.002 0.000 1.255 302 D CA -1.054 52.944 54.000 -0.004 0.000 0.822 302 D CB 3.752 44.555 40.800 0.004 0.000 1.656 302 D HN 0.228 nan 8.370 nan 0.000 0.511 303 P HA -0.034 nan 4.420 nan 0.000 0.225 303 P C 0.068 177.370 177.300 0.002 0.000 1.148 303 P CA 0.780 63.879 63.100 -0.002 0.000 0.779 303 P CB 0.507 32.204 31.700 -0.005 0.000 0.780 304 D N -0.597 119.803 120.400 -0.000 0.000 2.414 304 D HA 0.391 5.030 4.640 -0.002 0.000 0.232 304 D C 1.118 177.426 176.300 0.013 0.000 1.070 304 D CA -0.641 53.361 54.000 0.004 0.000 0.839 304 D CB 1.414 42.207 40.800 -0.012 0.000 1.079 304 D HN -0.173 nan 8.370 nan 0.000 0.521 305 A N 2.974 125.804 122.820 0.017 0.000 1.978 305 A HA -0.197 4.122 4.320 -0.002 0.000 0.220 305 A C 2.385 179.984 177.584 0.024 0.000 1.170 305 A CA 1.137 53.187 52.037 0.021 0.000 0.636 305 A CB -0.648 18.364 19.000 0.020 0.000 0.810 305 A HN 0.765 nan 8.150 nan 0.000 0.448 306 C N -0.353 118.959 119.300 0.021 0.000 2.403 306 C HA -0.115 4.344 4.460 -0.002 0.000 0.277 306 C C 2.618 177.622 174.990 0.024 0.000 1.248 306 C CA 1.309 60.339 59.018 0.020 0.000 1.762 306 C CB -1.002 26.748 27.740 0.017 0.000 2.014 306 C HN 0.607 nan 8.230 nan 0.000 0.486 307 E N 0.223 120.441 120.200 0.030 0.000 2.208 307 E HA 0.008 4.357 4.350 -0.002 0.000 0.193 307 E C 0.497 177.161 176.600 0.107 0.000 0.988 307 E CA 0.366 56.800 56.400 0.057 0.000 0.828 307 E CB -0.350 29.374 29.700 0.039 0.000 0.763 307 E HN 0.453 nan 8.360 nan 0.000 0.478 308 L N 1.318 122.590 121.223 0.081 0.000 2.698 308 L HA 0.048 4.387 4.340 -0.002 0.000 0.272 308 L C 1.311 178.232 176.870 0.086 0.000 1.154 308 L CA 1.191 56.090 54.840 0.098 0.000 0.964 308 L CB -0.696 41.398 42.059 0.060 0.000 1.272 308 L HN 0.282 nan 8.230 nan 0.000 0.483 309 G N 2.631 111.512 108.800 0.137 0.000 2.221 309 G HA2 -0.369 3.590 3.960 -0.002 0.000 0.265 309 G HA3 -0.369 3.590 3.960 -0.002 0.000 0.265 309 G C 1.484 176.298 174.900 -0.144 0.000 1.041 309 G CA 0.696 45.771 45.100 -0.041 0.000 0.807 309 G HN 0.689 nan 8.290 nan 0.000 0.502 310 R N -0.474 119.987 120.500 -0.065 0.000 2.083 310 R HA 0.020 4.359 4.340 -0.002 0.000 0.237 310 R C 1.866 178.080 176.300 -0.143 0.000 1.137 310 R CA 1.792 57.858 56.100 -0.057 0.000 0.951 310 R CB -0.193 30.127 30.300 0.033 0.000 0.851 310 R HN 0.553 nan 8.270 nan 0.000 0.434 311 L N -0.847 120.187 121.223 -0.315 0.000 2.858 311 L HA 0.307 4.646 4.340 -0.002 0.000 0.251 311 L C 0.573 177.220 176.870 -0.372 0.000 1.149 311 L CA -0.098 54.585 54.840 -0.262 0.000 0.955 311 L CB 0.727 42.728 42.059 -0.096 0.000 1.289 311 L HN 0.248 nan 8.230 nan 0.000 0.542 312 Q N -0.961 118.472 119.800 -0.613 0.000 2.737 312 Q HA 0.488 4.827 4.340 -0.002 0.000 0.307 312 Q C -0.979 174.823 176.000 -0.329 0.000 0.905 312 Q CA -0.624 54.902 55.803 -0.461 0.000 0.753 312 Q CB 2.377 30.720 28.738 -0.659 0.000 1.463 312 Q HN 0.062 nan 8.270 nan 0.000 0.455 313 G N 1.414 110.132 108.800 -0.136 0.000 2.325 313 G HA2 0.540 4.499 3.960 -0.002 0.000 0.298 313 G HA3 0.540 4.499 3.960 -0.002 0.000 0.298 313 G C -0.337 174.568 174.900 0.009 0.000 1.134 313 G CA -0.446 44.621 45.100 -0.055 0.000 0.876 313 G HN 0.535 nan 8.290 nan 0.000 0.452 314 I N 0.566 121.152 120.570 0.027 0.000 2.525 314 I HA 0.731 4.900 4.170 -0.002 0.000 0.301 314 I C 0.915 177.065 176.117 0.054 0.000 0.992 314 I CA -1.262 60.086 61.300 0.079 0.000 1.162 314 I CB 2.355 40.425 38.000 0.118 0.000 1.332 314 I HN 0.419 nan 8.210 nan 0.000 0.458 315 A N 5.019 127.874 122.820 0.059 0.000 1.935 315 A HA 0.272 4.591 4.320 -0.002 0.000 0.214 315 A C 0.607 178.216 177.584 0.041 0.000 1.178 315 A CA 0.914 52.978 52.037 0.044 0.000 0.640 315 A CB -0.067 18.960 19.000 0.045 0.000 0.825 315 A HN 0.703 nan 8.150 nan 0.000 0.447 316 L N -1.362 119.890 121.223 0.049 0.000 2.516 316 L HA 0.689 5.028 4.340 -0.002 0.000 0.267 316 L C -0.477 176.421 176.870 0.047 0.000 0.957 316 L CA -0.068 54.797 54.840 0.042 0.000 0.860 316 L CB 1.588 43.671 42.059 0.040 0.000 1.265 316 L HN 0.101 nan 8.230 nan 0.000 0.403 317 G N 5.835 114.659 108.800 0.040 0.000 2.487 317 G HA2 0.674 4.633 3.960 -0.002 0.000 0.314 317 G HA3 0.674 4.633 3.960 -0.002 0.000 0.314 317 G C -1.121 173.796 174.900 0.028 0.000 1.267 317 G CA -0.376 44.748 45.100 0.041 0.000 0.937 317 G HN 0.568 nan 8.290 nan 0.000 0.481 318 I N 1.944 122.528 120.570 0.023 0.000 2.509 318 I HA 0.368 4.537 4.170 -0.002 0.000 0.293 318 I C -0.011 176.112 176.117 0.010 0.000 1.020 318 I CA -1.329 59.979 61.300 0.013 0.000 1.088 318 I CB 2.542 40.546 38.000 0.006 0.000 1.267 318 I HN 0.343 nan 8.210 nan 0.000 0.430 319 V N 3.161 123.079 119.914 0.008 0.000 2.311 319 V HA 0.963 5.082 4.120 -0.002 0.000 0.275 319 V C -0.102 175.992 176.094 0.001 0.000 1.022 319 V CA -0.069 62.234 62.300 0.006 0.000 0.830 319 V CB 0.452 32.280 31.823 0.009 0.000 1.012 319 V HN 0.873 nan 8.190 nan 0.000 0.452 320 A N 3.407 126.225 122.820 -0.004 0.000 2.599 320 A HA 0.696 5.015 4.320 -0.002 0.000 0.290 320 A C -0.978 176.599 177.584 -0.011 0.000 1.101 320 A CA -0.600 51.432 52.037 -0.008 0.000 0.674 320 A CB 1.380 20.372 19.000 -0.013 0.000 1.277 320 A HN 0.881 nan 8.150 nan 0.000 0.419 321 D N -0.250 120.144 120.400 -0.010 0.000 2.414 321 D HA 0.326 4.965 4.640 -0.002 0.000 0.242 321 D C 1.154 177.440 176.300 -0.024 0.000 1.129 321 D CA 0.276 54.268 54.000 -0.013 0.000 0.885 321 D CB 1.136 41.932 40.800 -0.006 0.000 1.198 321 D HN 0.180 nan 8.370 nan 0.000 0.437 322 V N 3.687 123.585 119.914 -0.027 0.000 2.307 322 V HA -0.054 4.065 4.120 -0.002 0.000 0.245 322 V C 2.340 178.407 176.094 -0.046 0.000 1.045 322 V CA 2.116 64.394 62.300 -0.038 0.000 1.024 322 V CB -0.951 30.852 31.823 -0.033 0.000 0.651 322 V HN 0.823 nan 8.190 nan 0.000 0.449 323 G N 0.195 108.974 108.800 -0.036 0.000 2.440 323 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.218 323 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.218 323 G C 1.640 176.519 174.900 -0.034 0.000 1.154 323 G CA 1.014 46.092 45.100 -0.036 0.000 0.767 323 G HN 0.589 nan 8.290 nan 0.000 0.552 324 G N 0.064 108.850 108.800 -0.023 0.000 2.442 324 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.219 324 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.219 324 G C 1.836 176.713 174.900 -0.039 0.000 1.141 324 G CA 1.761 46.853 45.100 -0.013 0.000 0.763 324 G HN 0.398 nan 8.290 nan 0.000 0.554 325 T N 1.195 115.712 114.554 -0.061 0.000 2.770 325 T HA -0.004 4.345 4.350 -0.002 0.000 0.263 325 T C 2.417 177.018 174.700 -0.165 0.000 1.039 325 T CA 0.892 62.932 62.100 -0.100 0.000 1.142 325 T CB -0.146 68.663 68.868 -0.097 0.000 0.868 325 T HN 0.239 nan 8.240 nan 0.000 0.435 326 I N 0.887 121.362 120.570 -0.159 0.000 2.163 326 I HA -0.198 3.971 4.170 -0.002 0.000 0.243 326 I C 2.666 178.699 176.117 -0.141 0.000 1.085 326 I CA 1.345 62.527 61.300 -0.197 0.000 1.347 326 I CB -0.340 37.598 38.000 -0.104 0.000 1.044 326 I HN 0.237 nan 8.210 nan 0.000 0.408 327 E N 1.013 121.167 120.200 -0.076 0.000 2.048 327 E HA -0.293 4.056 4.350 -0.002 0.000 0.202 327 E C 2.199 178.771 176.600 -0.047 0.000 1.021 327 E CA 2.117 58.494 56.400 -0.037 0.000 0.825 327 E CB -0.221 29.475 29.700 -0.007 0.000 0.756 327 E HN 0.484 nan 8.360 nan 0.000 0.454 328 A N 0.002 122.784 122.820 -0.064 0.000 1.930 328 A HA -0.119 4.200 4.320 -0.002 0.000 0.217 328 A C 2.245 179.778 177.584 -0.085 0.000 1.175 328 A CA 1.159 53.162 52.037 -0.057 0.000 0.627 328 A CB -0.596 18.373 19.000 -0.051 0.000 0.815 328 A HN 0.300 nan 8.150 nan 0.000 0.443 329 L N -0.841 120.265 121.223 -0.196 0.000 2.046 329 L HA -0.191 4.148 4.340 -0.002 0.000 0.208 329 L C 3.103 179.904 176.870 -0.115 0.000 1.077 329 L CA 1.106 55.757 54.840 -0.316 0.000 0.747 329 L CB -0.484 41.020 42.059 -0.925 0.000 0.896 329 L HN 0.437 nan 8.230 nan 0.000 0.432 330 A N -0.930 121.852 122.820 -0.063 0.000 1.933 330 A HA -0.259 4.060 4.320 -0.002 0.000 0.218 330 A C 2.255 179.875 177.584 0.060 0.000 1.175 330 A CA 1.625 53.706 52.037 0.073 0.000 0.628 330 A CB -0.491 18.545 19.000 0.060 0.000 0.814 330 A HN 0.480 nan 8.150 nan 0.000 0.444 331 Q N -0.822 118.995 119.800 0.029 0.000 2.172 331 Q HA -0.037 4.302 4.340 -0.002 0.000 0.200 331 Q C 2.117 178.150 176.000 0.054 0.000 0.964 331 Q CA 1.150 56.975 55.803 0.036 0.000 0.855 331 Q CB -0.192 28.558 28.738 0.020 0.000 0.918 331 Q HN 0.617 nan 8.270 nan 0.000 0.444 332 A N -0.498 122.359 122.820 0.061 0.000 1.970 332 A HA -0.067 4.252 4.320 -0.002 0.000 0.216 332 A C 2.045 179.724 177.584 0.158 0.000 1.170 332 A CA 1.495 53.589 52.037 0.094 0.000 0.645 332 A CB -0.495 18.557 19.000 0.087 0.000 0.816 332 A HN 0.362 nan 8.150 nan 0.000 0.447 333 T N -0.785 113.876 114.554 0.178 0.000 3.113 333 T HA 0.265 4.614 4.350 -0.002 0.000 0.256 333 T C 1.518 176.327 174.700 0.183 0.000 1.131 333 T CA 0.975 63.218 62.100 0.239 0.000 1.074 333 T CB -0.395 68.579 68.868 0.177 0.000 0.944 333 T HN 0.435 nan 8.240 nan 0.000 0.516 334 A N 0.718 123.614 122.820 0.127 0.000 2.235 334 A HA 0.080 4.399 4.320 -0.002 0.000 0.208 334 A C 2.055 179.698 177.584 0.098 0.000 1.172 334 A CA 0.761 52.855 52.037 0.095 0.000 0.786 334 A CB -0.114 18.925 19.000 0.066 0.000 0.804 334 A HN 0.743 nan 8.150 nan 0.000 0.479 335 Q N -0.945 118.927 119.800 0.120 0.000 2.519 335 Q HA -0.013 4.326 4.340 -0.002 0.000 0.248 335 Q C 0.287 176.352 176.000 0.109 0.000 0.804 335 Q CA 0.437 56.298 55.803 0.097 0.000 0.979 335 Q CB -0.474 28.307 28.738 0.071 0.000 1.282 335 Q HN 0.517 nan 8.270 nan 0.000 0.558 336 D N 2.307 122.796 120.400 0.149 0.000 2.348 336 D HA 0.087 4.726 4.640 -0.002 0.000 0.248 336 D C 0.070 176.453 176.300 0.139 0.000 1.142 336 D CA 0.170 54.242 54.000 0.121 0.000 0.904 336 D CB -0.135 40.741 40.800 0.126 0.000 0.901 336 D HN 0.315 nan 8.370 nan 0.000 0.523 337 A N 0.452 123.397 122.820 0.209 0.000 2.752 337 A HA 0.432 4.751 4.320 -0.002 0.000 0.292 337 A C 0.807 178.481 177.584 0.150 0.000 1.597 337 A CA 0.204 52.423 52.037 0.303 0.000 1.241 337 A CB -0.647 18.491 19.000 0.229 0.000 1.061 337 A HN 0.439 nan 8.150 nan 0.000 0.576 338 A N 2.688 125.511 122.820 0.004 0.000 3.045 338 A HA 0.475 4.794 4.320 -0.002 0.000 0.244 338 A C -0.755 176.726 177.584 -0.171 0.000 0.917 338 A CA -0.500 51.484 52.037 -0.087 0.000 1.075 338 A CB -0.098 18.812 19.000 -0.150 0.000 1.202 338 A HN 0.699 nan 8.150 nan 0.000 0.486 339 W N 2.155 123.464 121.300 0.015 0.000 2.338 339 W HA 0.527 5.186 4.660 -0.002 0.000 0.307 339 W C -1.647 174.880 176.519 0.014 0.000 1.167 339 W CA -1.687 55.667 57.345 0.015 0.000 1.208 339 W CB 0.437 29.902 29.460 0.008 0.000 1.228 339 W HN 0.308 nan 8.180 nan 0.000 0.499 340 P HA -0.100 nan 4.420 nan 0.000 0.271 340 P C 0.668 178.058 177.300 0.151 0.000 1.238 340 P CA 0.061 63.242 63.100 0.135 0.000 0.794 340 P CB 1.122 32.885 31.700 0.106 0.000 0.959 341 D N 0.790 121.256 120.400 0.109 0.000 2.081 341 D HA -0.184 4.455 4.640 -0.002 0.000 0.194 341 D C 0.771 177.140 176.300 0.115 0.000 0.986 341 D CA 1.190 55.248 54.000 0.096 0.000 0.837 341 D CB 0.036 40.880 40.800 0.074 0.000 0.985 341 D HN 0.307 nan 8.370 nan 0.000 0.448 342 R N -1.784 118.806 120.500 0.150 0.000 4.016 342 R HA -0.184 4.155 4.340 -0.002 0.000 0.385 342 R C 1.514 177.912 176.300 0.164 0.000 1.158 342 R CA 0.796 57.032 56.100 0.227 0.000 1.117 342 R CB -2.491 27.970 30.300 0.269 0.000 1.635 342 R HN 0.415 nan 8.270 nan 0.000 0.560 343 G N 1.250 110.106 108.800 0.093 0.000 2.422 343 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.218 343 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.218 343 G C 1.100 176.028 174.900 0.046 0.000 1.146 343 G CA 1.082 46.206 45.100 0.040 0.000 0.769 343 G HN 0.390 nan 8.290 nan 0.000 0.547 344 D N -0.161 120.294 120.400 0.092 0.000 2.144 344 D HA -0.123 4.516 4.640 -0.002 0.000 0.200 344 D C 1.982 178.380 176.300 0.163 0.000 0.978 344 D CA 0.747 54.808 54.000 0.101 0.000 0.833 344 D CB -0.412 40.451 40.800 0.105 0.000 0.961 344 D HN 0.643 nan 8.370 nan 0.000 0.470 345 W N 1.530 122.848 121.300 0.030 0.000 2.418 345 W HA -0.162 4.497 4.660 -0.002 0.000 0.292 345 W C 1.709 178.266 176.519 0.064 0.000 1.213 345 W CA 0.302 57.677 57.345 0.050 0.000 1.283 345 W CB -0.407 29.090 29.460 0.063 0.000 1.119 345 W HN -0.061 nan 8.180 nan 0.000 0.542 346 C N 1.364 120.513 119.300 -0.250 0.000 2.425 346 C HA -0.112 4.347 4.460 -0.002 0.000 0.277 346 C C 3.264 178.101 174.990 -0.255 0.000 1.280 346 C CA 1.889 60.686 59.018 -0.368 0.000 1.744 346 C CB -1.517 26.105 27.740 -0.198 0.000 1.989 346 C HN 0.508 nan 8.230 nan 0.000 0.491 347 A N -0.003 122.738 122.820 -0.131 0.000 1.933 347 A HA -0.223 4.096 4.320 -0.002 0.000 0.218 347 A C 2.169 179.693 177.584 -0.100 0.000 1.175 347 A CA 1.960 53.942 52.037 -0.091 0.000 0.628 347 A CB -0.509 18.468 19.000 -0.039 0.000 0.814 347 A HN 0.677 nan 8.150 nan 0.000 0.444 348 K N -0.409 119.935 120.400 -0.093 0.000 2.097 348 K HA -0.063 4.256 4.320 -0.002 0.000 0.205 348 K C 1.789 178.259 176.600 -0.218 0.000 1.050 348 K CA 1.358 57.584 56.287 -0.100 0.000 0.938 348 K CB -0.221 32.309 32.500 0.051 0.000 0.718 348 K HN 0.232 nan 8.250 nan 0.000 0.442 349 V N 0.703 120.438 119.914 -0.298 0.000 2.295 349 V HA -0.267 3.852 4.120 -0.002 0.000 0.246 349 V C 2.118 178.211 176.094 -0.002 0.000 1.049 349 V CA 2.322 64.578 62.300 -0.074 0.000 1.024 349 V CB -0.635 31.020 31.823 -0.281 0.000 0.648 349 V HN 0.456 nan 8.190 nan 0.000 0.447 350 T N -0.494 113.993 114.554 -0.112 0.000 2.708 350 T HA -0.203 4.146 4.350 -0.002 0.000 0.266 350 T C 1.687 176.357 174.700 -0.051 0.000 1.037 350 T CA 1.714 63.763 62.100 -0.086 0.000 1.146 350 T CB -0.406 68.398 68.868 -0.107 0.000 0.865 350 T HN 0.474 nan 8.240 nan 0.000 0.435 351 D N 1.146 121.504 120.400 -0.069 0.000 2.104 351 D HA -0.042 4.597 4.640 -0.002 0.000 0.194 351 D C 2.140 178.414 176.300 -0.044 0.000 0.994 351 D CA 0.928 54.896 54.000 -0.055 0.000 0.830 351 D CB -0.408 40.352 40.800 -0.067 0.000 0.959 351 D HN 0.320 nan 8.370 nan 0.000 0.452 352 L N 0.543 121.704 121.223 -0.102 0.000 2.141 352 L HA -0.107 4.232 4.340 -0.002 0.000 0.209 352 L C 2.525 179.446 176.870 0.085 0.000 1.094 352 L CA 0.944 55.728 54.840 -0.094 0.000 0.763 352 L CB -0.357 41.444 42.059 -0.430 0.000 0.908 352 L HN -0.040 nan 8.230 nan 0.000 0.437 353 A N 0.099 123.002 122.820 0.138 0.000 1.873 353 A HA -0.270 4.049 4.320 -0.002 0.000 0.215 353 A C 2.243 179.906 177.584 0.132 0.000 1.186 353 A CA 1.830 53.966 52.037 0.165 0.000 0.616 353 A CB -0.559 18.506 19.000 0.109 0.000 0.823 353 A HN 0.427 nan 8.150 nan 0.000 0.442 354 Q N 0.266 120.111 119.800 0.075 0.000 2.084 354 Q HA -0.200 4.138 4.340 -0.002 0.000 0.202 354 Q C 1.883 177.972 176.000 0.148 0.000 0.978 354 Q CA 2.452 58.309 55.803 0.090 0.000 0.844 354 Q CB -0.490 28.264 28.738 0.028 0.000 0.898 354 Q HN 0.730 nan 8.270 nan 0.000 0.426 355 E N -0.441 119.816 120.200 0.094 0.000 2.051 355 E HA -0.277 4.072 4.350 -0.002 0.000 0.192 355 E C 2.057 178.718 176.600 0.100 0.000 0.991 355 E CA 1.188 57.636 56.400 0.079 0.000 0.799 355 E CB -0.157 29.563 29.700 0.033 0.000 0.748 355 E HN 0.347 nan 8.360 nan 0.000 0.449 356 R N -0.030 120.546 120.500 0.127 0.000 2.096 356 R HA -0.247 4.092 4.340 -0.002 0.000 0.240 356 R C 2.209 178.595 176.300 0.143 0.000 1.139 356 R CA 2.109 58.291 56.100 0.137 0.000 0.952 356 R CB -1.162 29.248 30.300 0.182 0.000 0.854 356 R HN 0.351 nan 8.270 nan 0.000 0.436 357 Y N 0.183 120.537 120.300 0.090 0.000 2.181 357 Y HA -0.055 4.494 4.550 -0.002 0.000 0.288 357 Y C 2.161 178.120 175.900 0.098 0.000 1.146 357 Y CA 1.862 60.041 58.100 0.132 0.000 1.164 357 Y CB -0.521 38.031 38.460 0.152 0.000 0.982 357 Y HN 0.245 nan 8.280 nan 0.000 0.515 358 A N -1.237 121.693 122.820 0.183 0.000 1.898 358 A HA -0.159 4.160 4.320 -0.002 0.000 0.216 358 A C 2.449 180.009 177.584 -0.039 0.000 1.181 358 A CA 1.669 53.754 52.037 0.080 0.000 0.620 358 A CB -1.297 17.771 19.000 0.113 0.000 0.819 358 A HN 0.458 nan 8.150 nan 0.000 0.442 359 S N -0.422 115.259 115.700 -0.030 0.000 2.383 359 S HA -0.136 4.333 4.470 -0.002 0.000 0.229 359 S C 1.852 176.364 174.600 -0.147 0.000 1.030 359 S CA 1.542 59.708 58.200 -0.058 0.000 1.002 359 S CB -0.420 62.770 63.200 -0.016 0.000 0.829 359 S HN 0.420 nan 8.310 nan 0.000 0.467 360 I N 1.701 122.111 120.570 -0.266 0.000 2.286 360 I HA -0.031 4.138 4.170 -0.002 0.000 0.245 360 I C 2.769 178.488 176.117 -0.663 0.000 1.104 360 I CA 1.166 62.165 61.300 -0.502 0.000 1.397 360 I CB -1.984 35.547 38.000 -0.781 0.000 1.072 360 I HN 0.275 nan 8.210 nan 0.000 0.417 361 A N 1.145 123.628 122.820 -0.561 0.000 1.940 361 A HA -0.121 4.198 4.320 -0.002 0.000 0.219 361 A C 2.506 180.002 177.584 -0.147 0.000 1.176 361 A CA 1.934 53.820 52.037 -0.252 0.000 0.631 361 A CB -0.749 18.223 19.000 -0.047 0.000 0.814 361 A HN 0.416 nan 8.150 nan 0.000 0.446 362 A N -1.106 121.634 122.820 -0.134 0.000 2.067 362 A HA -0.063 4.256 4.320 -0.002 0.000 0.219 362 A C 1.905 179.430 177.584 -0.097 0.000 1.158 362 A CA 1.626 53.615 52.037 -0.080 0.000 0.661 362 A CB -0.130 18.838 19.000 -0.054 0.000 0.801 362 A HN 0.327 nan 8.150 nan 0.000 0.452 363 K N 0.006 120.307 120.400 -0.165 0.000 2.354 363 K HA 0.218 4.537 4.320 -0.002 0.000 0.194 363 K C 0.130 176.595 176.600 -0.226 0.000 1.045 363 K CA 0.167 56.370 56.287 -0.141 0.000 1.026 363 K CB 0.177 32.618 32.500 -0.099 0.000 0.866 363 K HN 0.296 nan 8.250 nan 0.000 0.530 364 S N 1.231 116.675 115.700 -0.428 0.000 2.545 364 S HA 0.288 4.757 4.470 -0.002 0.000 0.275 364 S C -0.093 174.303 174.600 -0.341 0.000 1.299 364 S CA -0.347 57.338 58.200 -0.857 0.000 1.048 364 S CB 1.244 63.620 63.200 -1.374 0.000 0.938 364 S HN 0.111 nan 8.310 nan 0.000 0.496 365 S N 1.933 117.524 115.700 -0.181 0.000 2.619 365 S HA 0.422 4.891 4.470 -0.002 0.000 0.280 365 S C -0.706 174.020 174.600 0.210 0.000 1.150 365 S CA -0.695 57.576 58.200 0.119 0.000 0.978 365 S CB 0.976 64.211 63.200 0.058 0.000 1.041 365 S HN 0.466 nan 8.310 nan 0.000 0.485 366 S N 3.998 119.838 115.700 0.233 0.000 2.460 366 S HA 0.214 4.683 4.470 -0.002 0.000 0.211 366 S C 0.910 175.526 174.600 0.027 0.000 1.312 366 S CA -0.594 57.705 58.200 0.166 0.000 1.256 366 S CB 0.531 63.853 63.200 0.203 0.000 1.086 366 S HN 0.827 nan 8.310 nan 0.000 0.507 367 E N 1.529 121.717 120.200 -0.021 0.000 2.024 367 E HA -0.048 4.301 4.350 -0.002 0.000 0.190 367 E C 0.366 176.806 176.600 -0.267 0.000 0.974 367 E CA 1.029 57.319 56.400 -0.185 0.000 0.810 367 E CB 0.074 29.631 29.700 -0.238 0.000 0.775 367 E HN 0.689 nan 8.360 nan 0.000 0.453 368 H N -1.518 117.574 119.070 0.037 0.000 2.674 368 H HA 0.515 5.070 4.556 -0.002 0.000 0.274 368 H C -0.883 174.462 175.328 0.029 0.000 1.121 368 H CA 0.029 56.095 56.048 0.029 0.000 1.132 368 H CB 1.546 31.323 29.762 0.025 0.000 1.606 368 H HN 0.119 nan 8.280 nan 0.000 0.558 369 A N 1.213 124.100 122.820 0.111 0.000 2.518 369 A HA 0.278 4.597 4.320 -0.002 0.000 0.295 369 A C -1.469 176.148 177.584 0.054 0.000 1.052 369 A CA -0.804 51.276 52.037 0.072 0.000 0.824 369 A CB 0.568 19.605 19.000 0.061 0.000 1.325 369 A HN 0.172 nan 8.150 nan 0.000 0.394 370 L N 3.730 124.974 121.223 0.034 0.000 2.534 370 L HA 0.152 4.491 4.340 -0.002 0.000 0.271 370 L C 0.572 177.448 176.870 0.009 0.000 1.178 370 L CA 0.618 55.482 54.840 0.040 0.000 0.907 370 L CB -0.121 41.940 42.059 0.003 0.000 1.164 370 L HN 0.754 nan 8.230 nan 0.000 0.482 371 H N 7.291 126.349 119.070 -0.020 0.000 2.764 371 H HA 0.146 4.701 4.556 -0.002 0.000 0.341 371 H C -1.856 173.312 175.328 -0.267 0.000 1.072 371 H CA -1.381 54.562 56.048 -0.175 0.000 1.444 371 H CB 1.481 31.088 29.762 -0.258 0.000 1.458 371 H HN 0.536 nan 8.280 nan 0.000 0.572 372 P HA -0.179 nan 4.420 nan 0.000 0.216 372 P C 1.474 178.585 177.300 -0.316 0.000 1.150 372 P CA 1.091 63.900 63.100 -0.485 0.000 0.837 372 P CB -0.136 31.047 31.700 -0.861 0.000 0.786 373 F N -0.447 119.183 119.950 -0.534 0.000 2.171 373 F HA -0.219 4.307 4.527 -0.002 0.000 0.300 373 F C 2.247 177.970 175.800 -0.129 0.000 1.090 373 F CA 1.716 59.535 58.000 -0.300 0.000 1.293 373 F CB -0.565 38.151 39.000 -0.474 0.000 1.013 373 F HN 0.029 nan 8.300 nan 0.000 0.486 374 H N -0.948 118.102 119.070 -0.033 0.000 2.389 374 H HA -0.027 4.528 4.556 -0.002 0.000 0.299 374 H C 2.327 177.627 175.328 -0.048 0.000 1.081 374 H CA 0.672 56.672 56.048 -0.079 0.000 1.345 374 H CB -0.173 29.592 29.762 0.004 0.000 1.393 374 H HN 0.362 nan 8.280 nan 0.000 0.520 375 A N 0.175 123.048 122.820 0.089 0.000 1.969 375 A HA -0.136 4.183 4.320 -0.002 0.000 0.218 375 A C 2.339 180.021 177.584 0.163 0.000 1.169 375 A CA 1.573 53.680 52.037 0.117 0.000 0.635 375 A CB -0.304 18.652 19.000 -0.072 0.000 0.810 375 A HN 0.272 nan 8.150 nan 0.000 0.445 376 S N -0.606 115.107 115.700 0.022 0.000 2.414 376 S HA -0.114 4.355 4.470 -0.002 0.000 0.227 376 S C 2.011 176.586 174.600 -0.041 0.000 1.022 376 S CA 1.102 59.313 58.200 0.018 0.000 0.958 376 S CB -0.179 63.026 63.200 0.009 0.000 0.797 376 S HN 0.698 nan 8.310 nan 0.000 0.493 377 Q N 0.470 120.180 119.800 -0.151 0.000 2.167 377 Q HA -0.038 4.301 4.340 -0.002 0.000 0.202 377 Q C 2.140 178.117 176.000 -0.039 0.000 0.970 377 Q CA 1.066 56.792 55.803 -0.128 0.000 0.855 377 Q CB -0.208 28.428 28.738 -0.171 0.000 0.911 377 Q HN 0.336 nan 8.270 nan 0.000 0.438 378 V N 0.882 120.807 119.914 0.020 0.000 2.407 378 V HA -0.265 3.854 4.120 -0.002 0.000 0.248 378 V C 2.034 178.123 176.094 -0.008 0.000 1.055 378 V CA 1.566 63.862 62.300 -0.006 0.000 1.049 378 V CB -0.393 31.449 31.823 0.032 0.000 0.662 378 V HN 0.359 nan 8.190 nan 0.000 0.455 379 I N 0.425 121.029 120.570 0.057 0.000 2.202 379 I HA -0.180 3.989 4.170 -0.002 0.000 0.242 379 I C 2.705 178.852 176.117 0.051 0.000 1.091 379 I CA 1.336 62.679 61.300 0.071 0.000 1.368 379 I CB -0.701 37.369 38.000 0.118 0.000 1.058 379 I HN 0.265 nan 8.210 nan 0.000 0.410 380 A N 1.029 123.855 122.820 0.011 0.000 1.948 380 A HA -0.252 4.067 4.320 -0.002 0.000 0.220 380 A C 2.220 179.760 177.584 -0.073 0.000 1.177 380 A CA 1.727 53.750 52.037 -0.024 0.000 0.636 380 A CB -0.575 18.408 19.000 -0.029 0.000 0.815 380 A HN 0.366 nan 8.150 nan 0.000 0.449 381 K N -1.094 119.225 120.400 -0.134 0.000 2.519 381 K HA -0.099 4.220 4.320 -0.002 0.000 0.196 381 K C 0.661 177.017 176.600 -0.407 0.000 1.041 381 K CA 0.975 57.099 56.287 -0.272 0.000 0.954 381 K CB -0.142 32.147 32.500 -0.351 0.000 0.774 381 K HN 0.656 nan 8.250 nan 0.000 0.480 382 H N -0.780 118.236 119.070 -0.089 0.000 2.784 382 H HA 0.153 4.708 4.556 -0.002 0.000 0.273 382 H C -0.370 174.917 175.328 -0.067 0.000 1.112 382 H CA -0.059 55.936 56.048 -0.088 0.000 1.162 382 H CB 0.715 30.409 29.762 -0.114 0.000 1.586 382 H HN -0.160 nan 8.280 nan 0.000 0.548 383 V N 3.338 123.262 119.914 0.016 0.000 2.394 383 V HA 0.216 4.335 4.120 -0.002 0.000 0.282 383 V C -0.006 176.073 176.094 -0.026 0.000 1.031 383 V CA -0.437 61.864 62.300 0.002 0.000 0.881 383 V CB 1.586 33.407 31.823 -0.004 0.000 0.982 383 V HN 0.459 nan 8.190 nan 0.000 0.451 384 D N 3.735 124.123 120.400 -0.019 0.000 2.921 384 D HA 0.477 5.115 4.640 -0.002 0.000 0.329 384 D C 0.689 176.975 176.300 -0.024 0.000 1.293 384 D CA -0.017 53.965 54.000 -0.031 0.000 0.964 384 D CB 1.154 41.934 40.800 -0.032 0.000 1.435 384 D HN 0.437 nan 8.370 nan 0.000 0.548 385 A N -0.919 121.884 122.820 -0.028 0.000 2.216 385 A HA 0.327 4.646 4.320 -0.002 0.000 0.214 385 A C 1.581 179.153 177.584 -0.019 0.000 1.160 385 A CA 1.362 53.383 52.037 -0.025 0.000 0.725 385 A CB -1.109 17.873 19.000 -0.030 0.000 0.784 385 A HN 0.624 nan 8.150 nan 0.000 0.472 386 G N -1.209 107.581 108.800 -0.016 0.000 3.453 386 G HA2 0.437 4.396 3.960 -0.002 0.000 0.263 386 G HA3 0.437 4.396 3.960 -0.002 0.000 0.263 386 G C -0.254 174.641 174.900 -0.009 0.000 1.060 386 G CA 0.146 45.239 45.100 -0.013 0.000 0.793 386 G HN 0.181 nan 8.290 nan 0.000 0.532 387 V N 0.848 120.759 119.914 -0.006 0.000 2.487 387 V HA 0.458 4.577 4.120 -0.002 0.000 0.298 387 V C -0.393 175.705 176.094 0.007 0.000 1.028 387 V CA -0.546 61.753 62.300 -0.000 0.000 0.860 387 V CB 1.906 33.733 31.823 0.006 0.000 0.991 387 V HN 0.073 nan 8.190 nan 0.000 0.427 388 T N 4.381 118.936 114.554 0.001 0.000 2.743 388 T HA 0.470 4.819 4.350 -0.002 0.000 0.292 388 T C -0.238 174.467 174.700 0.007 0.000 0.972 388 T CA -0.283 61.821 62.100 0.005 0.000 0.967 388 T CB 1.294 70.149 68.868 -0.023 0.000 0.926 388 T HN 0.345 nan 8.240 nan 0.000 0.459 389 V N 4.917 124.866 119.914 0.060 0.000 2.350 389 V HA 0.313 4.432 4.120 -0.002 0.000 0.276 389 V C 0.106 176.159 176.094 -0.068 0.000 1.028 389 V CA -0.674 61.666 62.300 0.066 0.000 0.860 389 V CB 1.302 33.259 31.823 0.223 0.000 0.990 389 V HN 0.664 nan 8.190 nan 0.000 0.453 390 V N 4.836 124.662 119.914 -0.147 0.000 2.370 390 V HA 0.742 4.861 4.120 -0.002 0.000 0.279 390 V C 0.452 176.367 176.094 -0.299 0.000 1.029 390 V CA -0.348 61.786 62.300 -0.277 0.000 0.870 390 V CB 1.484 33.165 31.823 -0.237 0.000 0.984 390 V HN 0.946 nan 8.190 nan 0.000 0.451 391 A N 3.986 126.528 122.820 -0.463 0.000 2.331 391 A HA 0.795 5.114 4.320 -0.002 0.000 0.320 391 A C -0.677 176.587 177.584 -0.533 0.000 1.138 391 A CA -0.403 51.397 52.037 -0.396 0.000 0.790 391 A CB 1.301 20.076 19.000 -0.375 0.000 1.206 391 A HN 0.750 nan 8.150 nan 0.000 0.470 392 D N 0.742 120.946 120.400 -0.326 0.000 2.732 392 D HA 0.594 5.233 4.640 -0.002 0.000 0.292 392 D C 0.510 176.862 176.300 0.086 0.000 1.135 392 D CA 0.737 54.559 54.000 -0.296 0.000 1.071 392 D CB 1.814 42.486 40.800 -0.214 0.000 1.457 392 D HN 1.490 nan 8.370 nan 0.000 0.547 393 G N 0.320 109.270 108.800 0.250 0.000 2.203 393 G HA2 0.190 4.149 3.960 -0.002 0.000 0.231 393 G HA3 0.190 4.149 3.960 -0.002 0.000 0.231 393 G C 0.950 175.937 174.900 0.145 0.000 1.058 393 G CA 0.929 46.141 45.100 0.187 0.000 0.781 393 G HN 1.422 nan 8.290 nan 0.000 0.496 394 A N -0.849 122.095 122.820 0.208 0.000 5.138 394 A HA -0.394 3.925 4.320 -0.002 0.000 0.356 394 A C 2.188 179.467 177.584 -0.508 0.000 1.635 394 A CA 2.806 54.712 52.037 -0.219 0.000 0.691 394 A CB -1.503 17.476 19.000 -0.036 0.000 1.508 394 A HN 1.359 nan 8.150 nan 0.000 0.410 395 L N -0.600 120.467 121.223 -0.260 0.000 2.081 395 L HA -0.239 4.100 4.340 -0.002 0.000 0.212 395 L C 2.826 179.660 176.870 -0.060 0.000 1.080 395 L CA 2.386 57.097 54.840 -0.216 0.000 0.754 395 L CB -1.014 40.963 42.059 -0.137 0.000 0.893 395 L HN 0.858 nan 8.230 nan 0.000 0.433 396 T N -0.488 114.064 114.554 -0.004 0.000 2.635 396 T HA -0.272 4.077 4.350 -0.002 0.000 0.267 396 T C 1.640 176.411 174.700 0.119 0.000 1.040 396 T CA 2.229 64.380 62.100 0.086 0.000 1.156 396 T CB -0.528 68.375 68.868 0.059 0.000 0.863 396 T HN 0.572 nan 8.240 nan 0.000 0.430 397 Y N 1.188 121.512 120.300 0.041 0.000 2.373 397 Y HA 0.259 4.808 4.550 -0.002 0.000 0.293 397 Y C 1.865 177.798 175.900 0.055 0.000 1.129 397 Y CA 0.262 58.365 58.100 0.006 0.000 1.226 397 Y CB -0.982 37.398 38.460 -0.134 0.000 1.000 397 Y HN 0.130 nan 8.280 nan 0.000 0.549 398 L N -1.436 119.637 121.223 -0.249 0.000 2.156 398 L HA -0.108 4.230 4.340 -0.002 0.000 0.208 398 L C 2.100 178.933 176.870 -0.061 0.000 1.095 398 L CA 1.341 56.069 54.840 -0.186 0.000 0.770 398 L CB -0.561 41.245 42.059 -0.421 0.000 0.914 398 L HN 0.310 nan 8.230 nan 0.000 0.439 399 W N -0.526 120.802 121.300 0.047 0.000 2.443 399 W HA -0.135 4.524 4.660 -0.002 0.000 0.296 399 W C 2.326 178.953 176.519 0.180 0.000 1.202 399 W CA -0.103 57.321 57.345 0.132 0.000 1.312 399 W CB -0.058 29.464 29.460 0.104 0.000 1.120 399 W HN 0.024 nan 8.180 nan 0.000 0.536 400 L N 0.994 122.446 121.223 0.383 0.000 2.131 400 L HA -0.216 4.123 4.340 -0.002 0.000 0.210 400 L C 2.555 179.583 176.870 0.263 0.000 1.092 400 L CA 2.381 57.392 54.840 0.284 0.000 0.759 400 L CB -0.955 41.252 42.059 0.246 0.000 0.903 400 L HN -0.035 nan 8.230 nan 0.000 0.435 401 S N -1.690 114.185 115.700 0.293 0.000 2.399 401 S HA -0.149 4.320 4.470 -0.002 0.000 0.231 401 S C 1.753 176.500 174.600 0.245 0.000 1.022 401 S CA 0.866 59.227 58.200 0.267 0.000 0.983 401 S CB -0.575 62.853 63.200 0.381 0.000 0.803 401 S HN 0.512 nan 8.310 nan 0.000 0.480 402 E N 1.541 121.938 120.200 0.327 0.000 2.118 402 E HA -0.094 4.255 4.350 -0.002 0.000 0.195 402 E C 2.379 179.270 176.600 0.484 0.000 0.992 402 E CA 1.586 58.237 56.400 0.417 0.000 0.804 402 E CB -0.635 29.415 29.700 0.583 0.000 0.741 402 E HN 0.741 nan 8.360 nan 0.000 0.458 403 V N -2.226 117.916 119.914 0.380 0.000 3.608 403 V HA 0.075 4.194 4.120 -0.002 0.000 0.269 403 V C 1.932 178.082 176.094 0.092 0.000 1.245 403 V CA 0.558 63.039 62.300 0.302 0.000 1.138 403 V CB -0.087 31.821 31.823 0.140 0.000 0.841 403 V HN -0.018 nan 8.190 nan 0.000 0.451 404 M N 0.790 120.418 119.600 0.047 0.000 2.492 404 M HA 0.145 4.624 4.480 -0.002 0.000 0.262 404 M C 2.032 178.239 176.300 -0.155 0.000 1.090 404 M CA 1.214 56.442 55.300 -0.120 0.000 1.110 404 M CB -0.587 31.845 32.600 -0.280 0.000 1.407 404 M HN 0.404 nan 8.290 nan 0.000 0.470 405 S N -0.575 115.081 115.700 -0.073 0.000 2.425 405 S HA 0.051 4.520 4.470 -0.002 0.000 0.225 405 S C 1.900 176.422 174.600 -0.130 0.000 1.024 405 S CA 0.664 58.808 58.200 -0.093 0.000 0.951 405 S CB -0.032 63.151 63.200 -0.028 0.000 0.796 405 S HN 0.462 nan 8.310 nan 0.000 0.498 406 R N 0.974 121.382 120.500 -0.154 0.000 2.115 406 R HA -0.000 4.339 4.340 -0.002 0.000 0.230 406 R C 1.020 177.219 176.300 -0.168 0.000 1.111 406 R CA 0.771 56.747 56.100 -0.207 0.000 0.976 406 R CB -0.268 29.819 30.300 -0.354 0.000 0.870 406 R HN 0.404 nan 8.270 nan 0.000 0.445 407 V N -1.040 118.787 119.914 -0.145 0.000 3.262 407 V HA 0.318 4.437 4.120 -0.002 0.000 0.313 407 V C -0.359 175.663 176.094 -0.119 0.000 1.070 407 V CA -0.802 61.425 62.300 -0.121 0.000 1.049 407 V CB 1.426 33.189 31.823 -0.100 0.000 1.157 407 V HN -0.002 nan 8.190 nan 0.000 0.454 408 K N 2.476 122.818 120.400 -0.097 0.000 2.626 408 K HA 0.476 4.795 4.320 -0.002 0.000 0.223 408 K C -2.849 173.713 176.600 -0.064 0.000 0.992 408 K CA -1.437 54.797 56.287 -0.088 0.000 1.024 408 K CB 1.691 34.142 32.500 -0.082 0.000 1.225 408 K HN 0.608 nan 8.250 nan 0.000 0.498 409 P HA 0.070 nan 4.420 nan 0.000 0.276 409 P C 0.517 177.813 177.300 -0.007 0.000 1.244 409 P CA -0.258 62.831 63.100 -0.018 0.000 0.801 409 P CB 1.320 33.028 31.700 0.013 0.000 1.006 410 G N 0.863 109.662 108.800 -0.001 0.000 2.403 410 G HA2 0.211 4.170 3.960 -0.002 0.000 0.216 410 G HA3 0.211 4.170 3.960 -0.002 0.000 0.216 410 G C 0.621 175.523 174.900 0.003 0.000 1.154 410 G CA 0.606 45.702 45.100 -0.007 0.000 0.784 410 G HN 0.801 nan 8.290 nan 0.000 0.538 411 G N -1.547 107.270 108.800 0.027 0.000 2.696 411 G HA2 0.490 4.449 3.960 -0.002 0.000 0.295 411 G HA3 0.490 4.449 3.960 -0.002 0.000 0.295 411 G C -2.102 172.878 174.900 0.134 0.000 1.398 411 G CA -0.736 44.390 45.100 0.044 0.000 0.920 411 G HN 0.196 nan 8.290 nan 0.000 0.492 412 F N 2.205 122.120 119.950 -0.059 0.000 2.745 412 F HA 0.554 5.080 4.527 -0.002 0.000 0.343 412 F C -1.210 174.535 175.800 -0.090 0.000 1.196 412 F CA -1.122 56.838 58.000 -0.067 0.000 1.021 412 F CB 1.268 40.247 39.000 -0.035 0.000 1.297 412 F HN 0.296 nan 8.300 nan 0.000 0.486 413 L N 7.196 128.073 121.223 -0.577 0.000 2.313 413 L HA 0.427 4.766 4.340 -0.002 0.000 0.273 413 L C -0.048 176.364 176.870 -0.763 0.000 1.028 413 L CA -0.507 54.018 54.840 -0.524 0.000 0.871 413 L CB 0.861 42.732 42.059 -0.312 0.000 1.242 413 L HN 0.669 nan 8.230 nan 0.000 0.434 414 C N 1.609 120.399 119.300 -0.850 0.000 2.651 414 C HA 0.451 4.910 4.460 -0.002 0.000 0.416 414 C C 0.593 175.173 174.990 -0.685 0.000 1.818 414 C CA -0.420 58.020 59.018 -0.963 0.000 1.790 414 C CB 1.263 28.228 27.740 -1.292 0.000 2.048 414 C HN 0.727 nan 8.230 nan 0.000 0.470 415 H N -0.431 118.218 119.070 -0.702 0.000 2.646 415 H HA 0.430 4.985 4.556 -0.002 0.000 0.325 415 H C 0.755 175.892 175.328 -0.318 0.000 1.075 415 H CA 0.616 56.377 56.048 -0.479 0.000 1.421 415 H CB 0.870 30.314 29.762 -0.530 0.000 1.461 415 H HN 0.828 nan 8.280 nan 0.000 0.525 416 G N 1.276 110.024 108.800 -0.087 0.000 2.509 416 G HA2 -0.047 3.912 3.960 -0.002 0.000 0.269 416 G HA3 -0.047 3.912 3.960 -0.002 0.000 0.269 416 G C 0.002 174.813 174.900 -0.148 0.000 1.416 416 G CA -0.382 44.610 45.100 -0.180 0.000 1.052 416 G HN 0.654 nan 8.290 nan 0.000 0.542 417 Y N -0.694 119.608 120.300 0.002 0.000 2.256 417 Y HA -0.047 4.502 4.550 -0.002 0.000 0.288 417 Y C 2.669 178.570 175.900 0.001 0.000 1.155 417 Y CA 0.454 58.557 58.100 0.005 0.000 1.203 417 Y CB -0.224 38.234 38.460 -0.003 0.000 0.980 417 Y HN 0.132 nan 8.280 nan 0.000 0.530 418 L N -0.272 121.029 121.223 0.129 0.000 2.131 418 L HA -0.093 4.246 4.340 -0.002 0.000 0.210 418 L C 1.522 178.368 176.870 -0.040 0.000 1.092 418 L CA 1.848 56.723 54.840 0.057 0.000 0.759 418 L CB -1.231 40.861 42.059 0.056 0.000 0.903 418 L HN 0.519 nan 8.230 nan 0.000 0.435 419 G N 0.587 109.318 108.800 -0.116 0.000 2.341 419 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.292 419 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.292 419 G C 0.368 174.994 174.900 -0.456 0.000 1.021 419 G CA 0.822 45.747 45.100 -0.291 0.000 0.905 419 G HN 0.487 nan 8.290 nan 0.000 0.508 420 S N 0.445 115.873 115.700 -0.455 0.000 2.411 420 S HA 0.599 5.068 4.470 -0.002 0.000 0.294 420 S C 1.170 175.503 174.600 -0.445 0.000 1.115 420 S CA -0.806 57.181 58.200 -0.355 0.000 1.071 420 S CB 0.027 63.105 63.200 -0.202 0.000 0.967 420 S HN 0.298 nan 8.310 nan 0.000 0.488 421 M N 4.126 123.504 119.600 -0.371 0.000 2.248 421 M HA 0.227 4.706 4.480 -0.002 0.000 0.345 421 M C 1.603 177.520 176.300 -0.638 0.000 1.243 421 M CA 1.047 56.205 55.300 -0.237 0.000 1.090 421 M CB -0.383 32.235 32.600 0.029 0.000 1.683 421 M HN 1.034 nan 8.290 nan 0.000 0.450 422 G N 1.781 110.381 108.800 -0.332 0.000 2.253 422 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.209 422 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.209 422 G C 0.496 175.259 174.900 -0.227 0.000 0.997 422 G CA 0.322 45.199 45.100 -0.372 0.000 0.640 422 G HN 0.790 nan 8.290 nan 0.000 0.496 423 V N 0.304 120.032 119.914 -0.310 0.000 3.141 423 V HA 0.379 4.498 4.120 -0.002 0.000 0.265 423 V C 2.396 178.260 176.094 -0.382 0.000 1.126 423 V CA 2.166 64.109 62.300 -0.596 0.000 1.141 423 V CB -0.671 30.692 31.823 -0.766 0.000 0.743 423 V HN 0.972 nan 8.190 nan 0.000 0.492 424 G N -0.553 108.107 108.800 -0.233 0.000 2.422 424 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.218 424 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.218 424 G C 1.290 176.115 174.900 -0.125 0.000 1.146 424 G CA 1.012 45.977 45.100 -0.226 0.000 0.769 424 G HN 0.497 nan 8.290 nan 0.000 0.547 425 F N 2.228 122.075 119.950 -0.172 0.000 2.051 425 F HA 0.049 4.575 4.527 -0.002 0.000 0.296 425 F C 2.741 178.465 175.800 -0.127 0.000 1.122 425 F CA 1.332 59.238 58.000 -0.156 0.000 1.201 425 F CB -0.780 38.131 39.000 -0.148 0.000 0.978 425 F HN 0.139 nan 8.300 nan 0.000 0.472 426 G N -1.281 107.636 108.800 0.196 0.000 2.442 426 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.219 426 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.219 426 G C 1.649 176.568 174.900 0.032 0.000 1.141 426 G CA 1.516 46.687 45.100 0.118 0.000 0.763 426 G HN 0.393 nan 8.290 nan 0.000 0.554 427 T N 1.789 116.336 114.554 -0.012 0.000 2.674 427 T HA -0.016 4.333 4.350 -0.002 0.000 0.265 427 T C 2.818 177.459 174.700 -0.099 0.000 1.039 427 T CA 1.641 63.691 62.100 -0.084 0.000 1.150 427 T CB -0.495 68.284 68.868 -0.149 0.000 0.864 427 T HN 0.371 nan 8.240 nan 0.000 0.427 428 A N 0.849 123.610 122.820 -0.098 0.000 2.019 428 A HA 0.042 4.361 4.320 -0.002 0.000 0.219 428 A C 2.280 179.840 177.584 -0.040 0.000 1.164 428 A CA 1.081 53.057 52.037 -0.101 0.000 0.644 428 A CB -0.823 18.077 19.000 -0.167 0.000 0.805 428 A HN 0.490 nan 8.150 nan 0.000 0.449 429 L N -0.734 120.496 121.223 0.012 0.000 2.005 429 L HA -0.049 4.290 4.340 -0.002 0.000 0.207 429 L C 2.514 179.414 176.870 0.050 0.000 1.072 429 L CA 1.622 56.503 54.840 0.068 0.000 0.744 429 L CB -0.548 41.581 42.059 0.117 0.000 0.895 429 L HN 0.383 nan 8.230 nan 0.000 0.433 430 G N -1.319 107.415 108.800 -0.109 0.000 2.443 430 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.219 430 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.219 430 G C 1.562 176.464 174.900 0.004 0.000 1.131 430 G CA 0.631 45.581 45.100 -0.250 0.000 0.775 430 G HN 0.564 nan 8.290 nan 0.000 0.547 431 A N 0.231 123.029 122.820 -0.037 0.000 1.897 431 A HA -0.020 4.299 4.320 -0.002 0.000 0.215 431 A C 2.281 179.867 177.584 0.002 0.000 1.181 431 A CA 2.081 54.097 52.037 -0.034 0.000 0.620 431 A CB -0.377 18.581 19.000 -0.071 0.000 0.821 431 A HN 0.368 nan 8.150 nan 0.000 0.443 432 Q N 0.157 119.973 119.800 0.026 0.000 2.124 432 Q HA -0.109 4.230 4.340 -0.002 0.000 0.202 432 Q C 1.842 177.888 176.000 0.077 0.000 0.977 432 Q CA 2.111 57.941 55.803 0.045 0.000 0.850 432 Q CB -0.699 28.072 28.738 0.055 0.000 0.901 432 Q HN 0.352 nan 8.270 nan 0.000 0.429 433 V N 0.521 120.521 119.914 0.144 0.000 2.343 433 V HA -0.269 3.850 4.120 -0.002 0.000 0.247 433 V C 2.254 178.394 176.094 0.077 0.000 1.051 433 V CA 1.831 64.232 62.300 0.168 0.000 1.036 433 V CB -1.268 30.774 31.823 0.365 0.000 0.654 433 V HN 0.501 nan 8.190 nan 0.000 0.451 434 A N -0.172 122.689 122.820 0.068 0.000 1.898 434 A HA -0.205 4.114 4.320 -0.002 0.000 0.216 434 A C 1.957 179.496 177.584 -0.075 0.000 1.181 434 A CA 1.748 53.720 52.037 -0.108 0.000 0.620 434 A CB -0.592 18.253 19.000 -0.258 0.000 0.819 434 A HN 0.522 nan 8.150 nan 0.000 0.442 435 D N -0.417 119.960 120.400 -0.037 0.000 2.263 435 D HA -0.094 4.545 4.640 -0.002 0.000 0.208 435 D C 1.669 177.967 176.300 -0.004 0.000 0.971 435 D CA 0.643 54.629 54.000 -0.024 0.000 0.867 435 D CB -0.196 40.595 40.800 -0.015 0.000 0.929 435 D HN 0.308 nan 8.370 nan 0.000 0.492 436 L N 1.107 122.338 121.223 0.013 0.000 2.027 436 L HA -0.119 4.219 4.340 -0.002 0.000 0.206 436 L C 2.077 178.966 176.870 0.032 0.000 1.074 436 L CA 1.618 56.477 54.840 0.033 0.000 0.745 436 L CB -0.316 41.777 42.059 0.058 0.000 0.898 436 L HN -0.046 nan 8.230 nan 0.000 0.433 437 E N -0.999 119.217 120.200 0.026 0.000 2.153 437 E HA -0.155 4.194 4.350 -0.002 0.000 0.194 437 E C 1.803 178.410 176.600 0.012 0.000 0.988 437 E CA 1.048 57.468 56.400 0.033 0.000 0.811 437 E CB -0.195 29.527 29.700 0.036 0.000 0.746 437 E HN 0.535 nan 8.360 nan 0.000 0.466 438 A N -0.096 122.719 122.820 -0.008 0.000 2.308 438 A HA 0.364 4.683 4.320 -0.002 0.000 0.217 438 A C 1.637 179.216 177.584 -0.008 0.000 1.216 438 A CA 0.637 52.666 52.037 -0.015 0.000 0.864 438 A CB 0.086 19.066 19.000 -0.035 0.000 0.902 438 A HN 0.303 nan 8.150 nan 0.000 0.499 439 G N -0.471 108.329 108.800 0.000 0.000 2.159 439 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.256 439 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.256 439 G C 0.340 175.240 174.900 -0.000 0.000 0.977 439 G CA 0.331 45.433 45.100 0.003 0.000 0.652 439 G HN 0.632 nan 8.290 nan 0.000 0.531 440 R N -0.602 119.895 120.500 -0.005 0.000 2.549 440 R HA 0.719 5.058 4.340 -0.002 0.000 0.267 440 R C 0.321 176.620 176.300 -0.002 0.000 1.045 440 R CA -0.692 55.403 56.100 -0.007 0.000 1.115 440 R CB 0.768 31.059 30.300 -0.015 0.000 1.121 440 R HN 0.181 nan 8.270 nan 0.000 0.543 441 R N -0.093 120.404 120.500 -0.004 0.000 2.664 441 R HA 0.318 4.657 4.340 -0.002 0.000 0.286 441 R C -1.239 175.055 176.300 -0.010 0.000 0.967 441 R CA -0.234 55.864 56.100 -0.003 0.000 0.933 441 R CB 1.782 32.077 30.300 -0.008 0.000 1.146 441 R HN 0.592 nan 8.270 nan 0.000 0.468 442 T N 4.392 118.940 114.554 -0.010 0.000 2.797 442 T HA 0.535 4.884 4.350 -0.002 0.000 0.279 442 T C -0.181 174.499 174.700 -0.033 0.000 0.991 442 T CA -0.458 61.627 62.100 -0.023 0.000 0.979 442 T CB 0.691 69.543 68.868 -0.027 0.000 0.943 442 T HN 0.396 nan 8.240 nan 0.000 0.444 443 I N 3.340 123.886 120.570 -0.040 0.000 2.406 443 I HA 0.390 4.559 4.170 -0.002 0.000 0.290 443 I C -0.862 175.211 176.117 -0.073 0.000 0.999 443 I CA -1.076 60.196 61.300 -0.046 0.000 1.124 443 I CB 1.840 39.825 38.000 -0.026 0.000 1.289 443 I HN 0.358 nan 8.210 nan 0.000 0.441 444 L N 8.708 129.864 121.223 -0.112 0.000 2.264 444 L HA 0.504 4.843 4.340 -0.002 0.000 0.289 444 L C -0.713 176.085 176.870 -0.120 0.000 1.044 444 L CA -0.208 54.532 54.840 -0.168 0.000 0.807 444 L CB 1.330 43.208 42.059 -0.302 0.000 1.192 444 L HN 0.325 nan 8.230 nan 0.000 0.425 445 V N 4.787 124.642 119.914 -0.097 0.000 2.294 445 V HA 0.528 4.647 4.120 -0.002 0.000 0.272 445 V C 0.277 176.326 176.094 -0.074 0.000 1.027 445 V CA -0.285 61.988 62.300 -0.045 0.000 0.823 445 V CB 0.662 32.496 31.823 0.019 0.000 1.030 445 V HN 0.896 nan 8.190 nan 0.000 0.457 446 T N 3.356 117.862 114.554 -0.081 0.000 2.906 446 T HA 0.748 5.097 4.350 -0.002 0.000 0.295 446 T C 0.334 174.996 174.700 -0.064 0.000 1.075 446 T CA 0.138 62.192 62.100 -0.076 0.000 1.005 446 T CB 1.856 70.657 68.868 -0.111 0.000 1.136 446 T HN 0.810 nan 8.240 nan 0.000 0.498 447 G N 0.909 109.685 108.800 -0.040 0.000 2.562 447 G HA2 0.321 4.279 3.960 -0.002 0.000 0.275 447 G HA3 0.321 4.279 3.960 -0.002 0.000 0.275 447 G C 0.849 175.644 174.900 -0.174 0.000 1.196 447 G CA -0.097 44.959 45.100 -0.074 0.000 0.908 447 G HN 0.840 nan 8.290 nan 0.000 0.524 448 D N -0.372 119.870 120.400 -0.262 0.000 2.219 448 D HA -0.069 4.570 4.640 -0.002 0.000 0.205 448 D C 2.043 178.057 176.300 -0.476 0.000 0.970 448 D CA 1.173 54.871 54.000 -0.502 0.000 0.851 448 D CB -0.635 39.934 40.800 -0.384 0.000 0.943 448 D HN 0.448 nan 8.370 nan 0.000 0.488 449 G N 0.713 109.234 108.800 -0.465 0.000 2.424 449 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.214 449 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.214 449 G C 1.844 176.594 174.900 -0.249 0.000 1.202 449 G CA 1.009 45.569 45.100 -0.899 0.000 0.793 449 G HN 0.332 nan 8.290 nan 0.000 0.534 450 S N -0.129 115.633 115.700 0.105 0.000 2.400 450 S HA -0.134 4.335 4.470 -0.002 0.000 0.232 450 S C 2.315 177.091 174.600 0.293 0.000 1.025 450 S CA 1.068 59.466 58.200 0.330 0.000 0.993 450 S CB -0.342 62.969 63.200 0.185 0.000 0.808 450 S HN 0.172 nan 8.310 nan 0.000 0.478 451 V N 2.054 122.033 119.914 0.109 0.000 2.490 451 V HA -0.092 4.027 4.120 -0.002 0.000 0.250 451 V C 2.190 178.440 176.094 0.261 0.000 1.061 451 V CA 1.954 64.350 62.300 0.161 0.000 1.064 451 V CB -1.034 30.803 31.823 0.023 0.000 0.670 451 V HN 0.560 nan 8.190 nan 0.000 0.461 452 G N -2.189 106.729 108.800 0.197 0.000 2.559 452 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.216 452 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.216 452 G C 1.224 176.224 174.900 0.167 0.000 1.126 452 G CA 0.742 45.962 45.100 0.200 0.000 0.778 452 G HN 0.578 nan 8.290 nan 0.000 0.543 453 Y N 2.015 122.402 120.300 0.146 0.000 2.070 453 Y HA -0.113 4.436 4.550 -0.002 0.000 0.280 453 Y C 2.296 178.208 175.900 0.021 0.000 1.148 453 Y CA 1.836 59.997 58.100 0.102 0.000 1.125 453 Y CB 0.126 38.645 38.460 0.098 0.000 0.975 453 Y HN 0.255 nan 8.280 nan 0.000 0.492 454 S N -1.140 114.650 115.700 0.150 0.000 2.474 454 S HA 0.204 4.673 4.470 -0.002 0.000 0.224 454 S C 0.692 175.082 174.600 -0.350 0.000 1.209 454 S CA -0.500 57.646 58.200 -0.091 0.000 1.212 454 S CB -0.433 62.680 63.200 -0.145 0.000 1.137 454 S HN 0.418 nan 8.310 nan 0.000 0.446 455 I N 1.693 122.215 120.570 -0.080 0.000 2.614 455 I HA 0.017 4.186 4.170 -0.002 0.000 0.258 455 I C 2.190 178.233 176.117 -0.122 0.000 1.189 455 I CA 1.048 62.369 61.300 0.034 0.000 1.462 455 I CB -0.258 37.950 38.000 0.347 0.000 1.092 455 I HN 0.646 nan 8.210 nan 0.000 0.442 456 G N 0.100 108.763 108.800 -0.227 0.000 2.498 456 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.219 456 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.219 456 G C 1.333 175.845 174.900 -0.646 0.000 1.119 456 G CA 0.282 45.106 45.100 -0.460 0.000 0.766 456 G HN 0.339 nan 8.290 nan 0.000 0.552 457 E N 0.181 119.951 120.200 -0.716 0.000 2.409 457 E HA -0.006 4.343 4.350 -0.002 0.000 0.198 457 E C 1.753 178.068 176.600 -0.476 0.000 1.024 457 E CA 0.007 55.981 56.400 -0.709 0.000 0.861 457 E CB -0.342 28.732 29.700 -1.044 0.000 0.788 457 E HN 0.623 nan 8.360 nan 0.000 0.521 458 F N 1.084 120.829 119.950 -0.341 0.000 2.269 458 F HA -0.203 4.323 4.527 -0.002 0.000 0.301 458 F C 2.185 177.938 175.800 -0.078 0.000 1.082 458 F CA 1.174 59.182 58.000 0.014 0.000 1.360 458 F CB 0.068 39.187 39.000 0.198 0.000 1.041 458 F HN 0.050 nan 8.300 nan 0.000 0.512 459 D N -0.494 119.756 120.400 -0.250 0.000 2.117 459 D HA -0.159 4.480 4.640 -0.002 0.000 0.197 459 D C 2.027 178.327 176.300 -0.001 0.000 0.987 459 D CA 1.867 55.792 54.000 -0.126 0.000 0.829 459 D CB -0.075 40.525 40.800 -0.333 0.000 0.961 459 D HN 0.074 nan 8.370 nan 0.000 0.460 460 T N 0.029 114.554 114.554 -0.050 0.000 2.821 460 T HA -0.085 4.264 4.350 -0.002 0.000 0.267 460 T C 1.738 176.487 174.700 0.082 0.000 1.046 460 T CA 0.428 62.538 62.100 0.017 0.000 1.139 460 T CB -0.205 68.660 68.868 -0.006 0.000 0.871 460 T HN 0.061 nan 8.240 nan 0.000 0.454 461 L N 0.893 122.186 121.223 0.117 0.000 2.127 461 L HA -0.044 4.295 4.340 -0.002 0.000 0.211 461 L C 2.429 179.399 176.870 0.166 0.000 1.089 461 L CA 1.213 56.155 54.840 0.171 0.000 0.757 461 L CB -0.780 41.430 42.059 0.252 0.000 0.899 461 L HN 0.158 nan 8.230 nan 0.000 0.434 462 V N -1.488 118.525 119.914 0.167 0.000 2.426 462 V HA -0.113 4.006 4.120 -0.002 0.000 0.242 462 V C 2.532 178.693 176.094 0.112 0.000 1.036 462 V CA 0.995 63.384 62.300 0.149 0.000 1.044 462 V CB -0.388 31.538 31.823 0.171 0.000 0.688 462 V HN 0.320 nan 8.190 nan 0.000 0.462 463 R N 0.390 120.950 120.500 0.100 0.000 2.105 463 R HA -0.109 4.230 4.340 -0.002 0.000 0.239 463 R C 1.711 178.055 176.300 0.074 0.000 1.135 463 R CA 1.009 57.157 56.100 0.080 0.000 0.967 463 R CB -0.082 30.260 30.300 0.070 0.000 0.861 463 R HN 0.310 nan 8.270 nan 0.000 0.442 464 K N 0.165 120.614 120.400 0.081 0.000 2.358 464 K HA 0.074 4.393 4.320 -0.002 0.000 0.197 464 K C 0.041 176.690 176.600 0.083 0.000 1.025 464 K CA 0.025 56.359 56.287 0.077 0.000 1.104 464 K CB 0.577 33.126 32.500 0.082 0.000 0.855 464 K HN 0.133 nan 8.250 nan 0.000 0.531 465 Q N 0.629 120.482 119.800 0.089 0.000 2.453 465 Q HA -0.178 4.161 4.340 -0.002 0.000 0.294 465 Q C -0.992 175.067 176.000 0.097 0.000 1.295 465 Q CA 0.205 56.062 55.803 0.091 0.000 0.853 465 Q CB -1.539 27.244 28.738 0.075 0.000 1.193 465 Q HN 0.272 nan 8.270 nan 0.000 0.461 466 L N 1.094 122.384 121.223 0.111 0.000 2.278 466 L HA 0.221 4.560 4.340 -0.002 0.000 0.287 466 L C -1.623 175.315 176.870 0.114 0.000 1.072 466 L CA -1.784 53.123 54.840 0.112 0.000 0.819 466 L CB 0.603 42.737 42.059 0.126 0.000 1.176 466 L HN -0.039 nan 8.230 nan 0.000 0.435 467 P HA 0.048 nan 4.420 nan 0.000 0.237 467 P C -0.384 176.965 177.300 0.081 0.000 1.723 467 P CA -0.291 62.866 63.100 0.094 0.000 0.882 467 P CB -0.093 31.652 31.700 0.076 0.000 1.810 468 L N 0.538 121.813 121.223 0.087 0.000 2.380 468 L HA 0.271 4.610 4.340 -0.002 0.000 0.273 468 L C -0.225 176.687 176.870 0.069 0.000 1.138 468 L CA -0.171 54.698 54.840 0.049 0.000 0.832 468 L CB 0.108 42.180 42.059 0.022 0.000 1.124 468 L HN -0.028 nan 8.230 nan 0.000 0.454 469 I N 5.607 126.193 120.570 0.027 0.000 2.339 469 I HA 0.285 4.453 4.170 -0.002 0.000 0.290 469 I C -0.709 175.411 176.117 0.006 0.000 0.994 469 I CA -0.647 60.681 61.300 0.046 0.000 1.191 469 I CB 1.533 39.534 38.000 0.002 0.000 1.343 469 I HN 0.255 nan 8.210 nan 0.000 0.458 470 V N 7.917 127.873 119.914 0.070 0.000 2.318 470 V HA 0.374 4.493 4.120 -0.002 0.000 0.271 470 V C 0.207 176.352 176.094 0.086 0.000 1.030 470 V CA -0.392 61.904 62.300 -0.008 0.000 0.844 470 V CB 0.896 32.688 31.823 -0.051 0.000 1.015 470 V HN 0.478 nan 8.190 nan 0.000 0.460 471 I N 6.109 126.700 120.570 0.034 0.000 2.315 471 I HA 0.427 4.596 4.170 -0.002 0.000 0.291 471 I C -0.261 175.856 176.117 -0.001 0.000 1.006 471 I CA -0.208 61.135 61.300 0.072 0.000 1.265 471 I CB 1.321 39.406 38.000 0.142 0.000 1.387 471 I HN 0.431 nan 8.210 nan 0.000 0.475 472 I N 6.902 127.465 120.570 -0.012 0.000 2.328 472 I HA 0.242 4.411 4.170 -0.002 0.000 0.287 472 I C -0.087 175.962 176.117 -0.114 0.000 1.012 472 I CA -0.550 60.703 61.300 -0.078 0.000 1.195 472 I CB 1.051 38.990 38.000 -0.101 0.000 1.350 472 I HN 0.411 nan 8.210 nan 0.000 0.464 473 M N 5.574 125.107 119.600 -0.112 0.000 2.455 473 M HA 0.109 4.588 4.480 -0.002 0.000 0.331 473 M C -0.063 176.175 176.300 -0.104 0.000 1.481 473 M CA 0.135 55.366 55.300 -0.115 0.000 1.362 473 M CB -0.725 31.834 32.600 -0.069 0.000 1.564 473 M HN 0.393 nan 8.290 nan 0.000 0.458 474 N N 3.676 122.322 118.700 -0.090 0.000 2.500 474 N HA 0.129 4.868 4.740 -0.002 0.000 0.236 474 N C -0.099 175.398 175.510 -0.021 0.000 1.022 474 N CA -0.152 52.869 53.050 -0.049 0.000 0.935 474 N CB 0.394 38.902 38.487 0.036 0.000 1.147 474 N HN 0.423 nan 8.380 nan 0.000 0.512 475 N N 2.299 120.985 118.700 -0.023 0.000 2.273 475 N HA 0.052 4.791 4.740 -0.002 0.000 0.231 475 N C -0.332 175.190 175.510 0.020 0.000 1.134 475 N CA -0.197 52.853 53.050 0.001 0.000 0.856 475 N CB 0.214 38.705 38.487 0.005 0.000 1.068 475 N HN 0.380 nan 8.380 nan 0.000 0.510 476 Q N -1.012 118.803 119.800 0.026 0.000 2.468 476 Q HA -0.209 4.130 4.340 -0.002 0.000 0.256 476 Q C -0.860 175.147 176.000 0.012 0.000 0.984 476 Q CA 1.388 57.213 55.803 0.036 0.000 1.110 476 Q CB -2.443 26.319 28.738 0.041 0.000 1.527 476 Q HN 0.820 nan 8.270 nan 0.000 0.535 477 S N -2.816 112.869 115.700 -0.026 0.000 2.595 477 S HA 0.517 4.986 4.470 -0.002 0.000 0.270 477 S C -1.151 173.416 174.600 -0.056 0.000 1.145 477 S CA -1.107 57.084 58.200 -0.014 0.000 0.825 477 S CB 0.452 63.706 63.200 0.090 0.000 1.107 477 S HN 0.285 nan 8.310 nan 0.000 0.461 478 W N 2.074 123.418 121.300 0.073 0.000 2.429 478 W HA 0.475 5.134 4.660 -0.002 0.000 0.431 478 W C 1.499 178.046 176.519 0.047 0.000 1.038 478 W CA 0.105 57.487 57.345 0.062 0.000 1.635 478 W CB -0.162 29.339 29.460 0.068 0.000 1.721 478 W HN 1.061 nan 8.180 nan 0.000 0.366 479 G N 1.858 110.760 108.800 0.170 0.000 2.484 479 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.215 479 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.215 479 G C 1.708 176.604 174.900 -0.006 0.000 1.219 479 G CA 1.191 46.325 45.100 0.056 0.000 0.791 479 G HN 0.535 nan 8.290 nan 0.000 0.550 480 A N 0.667 123.462 122.820 -0.041 0.000 1.908 480 A HA -0.103 4.216 4.320 -0.002 0.000 0.218 480 A C 2.641 180.292 177.584 0.111 0.000 1.181 480 A CA 3.118 55.123 52.037 -0.052 0.000 0.627 480 A CB -1.260 17.704 19.000 -0.060 0.000 0.818 480 A HN 0.568 nan 8.150 nan 0.000 0.445 481 T N -1.474 113.162 114.554 0.136 0.000 2.821 481 T HA -0.091 4.258 4.350 -0.002 0.000 0.267 481 T C 1.840 176.691 174.700 0.252 0.000 1.046 481 T CA 1.321 63.517 62.100 0.160 0.000 1.139 481 T CB -0.488 68.427 68.868 0.078 0.000 0.871 481 T HN 0.298 nan 8.240 nan 0.000 0.454 482 L N 0.039 121.413 121.223 0.251 0.000 2.093 482 L HA -0.061 4.278 4.340 -0.002 0.000 0.208 482 L C 2.809 179.856 176.870 0.294 0.000 1.085 482 L CA 1.443 56.437 54.840 0.258 0.000 0.755 482 L CB -0.377 41.832 42.059 0.250 0.000 0.904 482 L HN 0.383 nan 8.230 nan 0.000 0.435 483 H N -1.663 117.485 119.070 0.130 0.000 2.357 483 H HA -0.233 4.322 4.556 -0.002 0.000 0.301 483 H C 2.058 177.448 175.328 0.103 0.000 1.082 483 H CA 1.698 57.804 56.048 0.096 0.000 1.342 483 H CB -0.081 29.728 29.762 0.078 0.000 1.389 483 H HN 0.416 nan 8.280 nan 0.000 0.511 484 F N 2.242 122.283 119.950 0.150 0.000 2.091 484 F HA -0.271 4.255 4.527 -0.002 0.000 0.299 484 F C 2.530 178.364 175.800 0.057 0.000 1.103 484 F CA 1.573 59.620 58.000 0.078 0.000 1.228 484 F CB -0.172 38.861 39.000 0.056 0.000 0.984 484 F HN 0.096 nan 8.300 nan 0.000 0.477 485 Q N -0.260 119.669 119.800 0.216 0.000 2.050 485 Q HA -0.265 4.074 4.340 -0.002 0.000 0.202 485 Q C 2.247 178.233 176.000 -0.024 0.000 0.980 485 Q CA 2.155 58.017 55.803 0.100 0.000 0.840 485 Q CB -0.338 28.492 28.738 0.154 0.000 0.898 485 Q HN 0.607 nan 8.270 nan 0.000 0.424 486 Q N -0.207 119.590 119.800 -0.005 0.000 2.123 486 Q HA -0.125 4.214 4.340 -0.002 0.000 0.199 486 Q C 1.958 177.902 176.000 -0.093 0.000 0.966 486 Q CA 0.817 56.593 55.803 -0.045 0.000 0.845 486 Q CB 0.084 28.792 28.738 -0.051 0.000 0.907 486 Q HN 0.213 nan 8.270 nan 0.000 0.439 487 L N 0.002 121.153 121.223 -0.119 0.000 2.068 487 L HA -0.021 4.318 4.340 -0.002 0.000 0.204 487 L C 2.191 178.939 176.870 -0.203 0.000 1.076 487 L CA 1.687 56.445 54.840 -0.137 0.000 0.753 487 L CB -0.688 41.311 42.059 -0.100 0.000 0.910 487 L HN 0.129 nan 8.230 nan 0.000 0.439 488 A N -1.663 120.932 122.820 -0.375 0.000 1.970 488 A HA 0.038 4.357 4.320 -0.002 0.000 0.216 488 A C 1.973 179.390 177.584 -0.279 0.000 1.170 488 A CA 1.608 53.377 52.037 -0.445 0.000 0.645 488 A CB -0.281 18.129 19.000 -0.984 0.000 0.816 488 A HN 0.206 nan 8.150 nan 0.000 0.447 489 V N -2.137 117.642 119.914 -0.224 0.000 2.870 489 V HA 0.564 4.683 4.120 -0.002 0.000 0.232 489 V C 1.115 177.165 176.094 -0.074 0.000 1.161 489 V CA 0.603 62.834 62.300 -0.116 0.000 1.204 489 V CB -0.669 31.113 31.823 -0.070 0.000 1.003 489 V HN 0.822 nan 8.190 nan 0.000 0.499 490 G N -0.391 108.372 108.800 -0.062 0.000 2.340 490 G HA2 0.346 4.305 3.960 -0.002 0.000 0.298 490 G HA3 0.346 4.305 3.960 -0.002 0.000 0.298 490 G C -2.771 172.113 174.900 -0.027 0.000 1.498 490 G CA 0.143 45.218 45.100 -0.041 0.000 0.847 490 G HN -0.020 nan 8.290 nan 0.000 0.594 491 P HA -0.089 nan 4.420 nan 0.000 0.218 491 P C 0.787 178.087 177.300 0.001 0.000 1.146 491 P CA 1.399 64.491 63.100 -0.014 0.000 0.813 491 P CB 0.086 31.777 31.700 -0.014 0.000 0.778 492 N N -1.375 117.327 118.700 0.002 0.000 2.338 492 N HA 0.056 4.795 4.740 -0.002 0.000 0.251 492 N C 0.401 175.920 175.510 0.015 0.000 1.199 492 N CA -0.261 52.795 53.050 0.010 0.000 0.879 492 N CB 0.208 38.700 38.487 0.007 0.000 1.159 492 N HN -0.069 nan 8.380 nan 0.000 0.514 493 R N 0.799 121.309 120.500 0.017 0.000 2.748 493 R HA 0.212 4.551 4.340 -0.002 0.000 0.395 493 R C -0.474 175.853 176.300 0.044 0.000 1.128 493 R CA -0.332 55.783 56.100 0.025 0.000 1.042 493 R CB 0.393 30.701 30.300 0.013 0.000 1.392 493 R HN 0.133 nan 8.270 nan 0.000 0.582 494 V N 1.211 121.155 119.914 0.050 0.000 2.350 494 V HA 0.626 4.745 4.120 -0.002 0.000 0.276 494 V C -0.733 175.405 176.094 0.073 0.000 1.028 494 V CA 0.071 62.415 62.300 0.072 0.000 0.860 494 V CB 1.329 33.198 31.823 0.077 0.000 0.990 494 V HN 0.489 nan 8.190 nan 0.000 0.453 495 T N 2.327 116.930 114.554 0.083 0.000 2.956 495 T HA 0.648 4.997 4.350 -0.002 0.000 0.312 495 T C 0.622 175.374 174.700 0.087 0.000 1.151 495 T CA -0.085 62.061 62.100 0.076 0.000 1.024 495 T CB 1.260 70.162 68.868 0.057 0.000 1.140 495 T HN 1.922 nan 8.240 nan 0.000 0.473 496 G N 1.435 110.292 108.800 0.095 0.000 2.168 496 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.257 496 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.257 496 G C 0.628 175.635 174.900 0.179 0.000 0.997 496 G CA 1.305 46.469 45.100 0.107 0.000 0.708 496 G HN 1.588 nan 8.290 nan 0.000 0.520 497 T N -3.237 111.457 114.554 0.233 0.000 2.955 497 T HA 0.371 4.720 4.350 -0.002 0.000 0.251 497 T C 1.088 176.014 174.700 0.377 0.000 1.002 497 T CA 0.055 62.379 62.100 0.373 0.000 0.970 497 T CB 0.536 69.561 68.868 0.263 0.000 1.091 497 T HN 0.486 nan 8.240 nan 0.000 0.495 498 R N 0.978 121.614 120.500 0.227 0.000 2.539 498 R HA 0.548 4.887 4.340 -0.002 0.000 0.275 498 R C -0.265 176.096 176.300 0.102 0.000 1.077 498 R CA -0.138 56.045 56.100 0.139 0.000 1.097 498 R CB 0.680 31.040 30.300 0.101 0.000 1.018 498 R HN 0.266 nan 8.270 nan 0.000 0.483 499 L N 2.350 123.589 121.223 0.026 0.000 3.313 499 L HA 0.178 4.517 4.340 -0.002 0.000 0.320 499 L C -0.337 176.535 176.870 0.005 0.000 1.304 499 L CA 0.015 54.844 54.840 -0.018 0.000 0.920 499 L CB 0.708 42.671 42.059 -0.160 0.000 1.357 499 L HN 0.592 nan 8.230 nan 0.000 0.602 500 E N 0.770 120.980 120.200 0.016 0.000 2.323 500 E HA 0.011 4.360 4.350 -0.002 0.000 0.313 500 E C 0.183 176.773 176.600 -0.017 0.000 1.236 500 E CA -0.021 56.385 56.400 0.009 0.000 1.333 500 E CB 0.146 29.857 29.700 0.017 0.000 1.138 500 E HN 0.357 nan 8.360 nan 0.000 0.492 501 N N 0.925 119.594 118.700 -0.050 0.000 3.296 501 N HA 0.051 4.790 4.740 -0.002 0.000 0.266 501 N C 0.242 175.646 175.510 -0.178 0.000 0.984 501 N CA 0.654 53.649 53.050 -0.092 0.000 1.228 501 N CB 0.246 38.689 38.487 -0.074 0.000 1.239 501 N HN 0.253 nan 8.380 nan 0.000 1.043 502 G N 0.074 108.682 108.800 -0.320 0.000 2.400 502 G HA2 0.386 4.345 3.960 -0.002 0.000 0.301 502 G HA3 0.386 4.345 3.960 -0.002 0.000 0.301 502 G C -0.837 173.689 174.900 -0.623 0.000 1.154 502 G CA -0.254 44.569 45.100 -0.462 0.000 0.852 502 G HN 0.235 nan 8.290 nan 0.000 0.511 503 S N 1.168 116.593 115.700 -0.459 0.000 2.416 503 S HA 0.182 4.651 4.470 -0.002 0.000 0.302 503 S C 0.771 175.084 174.600 -0.478 0.000 1.120 503 S CA -0.671 57.247 58.200 -0.471 0.000 1.067 503 S CB -0.145 62.748 63.200 -0.513 0.000 1.057 503 S HN 0.473 nan 8.310 nan 0.000 0.518 504 Y N 3.909 124.146 120.300 -0.104 0.000 2.314 504 Y HA -0.101 4.448 4.550 -0.002 0.000 0.293 504 Y C 2.587 178.468 175.900 -0.031 0.000 1.129 504 Y CA 1.695 59.796 58.100 0.001 0.000 1.201 504 Y CB -0.520 38.007 38.460 0.112 0.000 0.999 504 Y HN 0.864 nan 8.280 nan 0.000 0.541 505 H N -2.215 116.939 119.070 0.141 0.000 2.423 505 H HA 0.038 4.593 4.556 -0.002 0.000 0.297 505 H C 2.355 177.667 175.328 -0.027 0.000 1.075 505 H CA 1.196 57.276 56.048 0.054 0.000 1.342 505 H CB -1.016 28.816 29.762 0.117 0.000 1.395 505 H HN 0.346 nan 8.280 nan 0.000 0.530 506 G N 1.433 109.939 108.800 -0.489 0.000 2.418 506 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.217 506 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.217 506 G C 1.887 176.669 174.900 -0.196 0.000 1.158 506 G CA 1.450 46.366 45.100 -0.306 0.000 0.771 506 G HN 0.356 nan 8.290 nan 0.000 0.545 507 V N 1.715 121.534 119.914 -0.157 0.000 2.233 507 V HA -0.183 3.936 4.120 -0.002 0.000 0.247 507 V C 3.365 179.430 176.094 -0.048 0.000 1.050 507 V CA 2.205 64.467 62.300 -0.062 0.000 1.010 507 V CB -1.095 30.788 31.823 0.100 0.000 0.637 507 V HN 0.475 nan 8.190 nan 0.000 0.444 508 A N -0.061 122.651 122.820 -0.179 0.000 1.940 508 A HA -0.173 4.146 4.320 -0.002 0.000 0.219 508 A C 2.370 179.844 177.584 -0.183 0.000 1.176 508 A CA 2.290 54.029 52.037 -0.496 0.000 0.631 508 A CB -0.812 17.542 19.000 -1.076 0.000 0.814 508 A HN 0.634 nan 8.150 nan 0.000 0.446 509 A N -0.496 122.244 122.820 -0.133 0.000 2.015 509 A HA 0.243 4.562 4.320 -0.002 0.000 0.219 509 A C 2.393 179.926 177.584 -0.084 0.000 1.163 509 A CA 1.748 53.736 52.037 -0.082 0.000 0.646 509 A CB -0.743 18.216 19.000 -0.069 0.000 0.806 509 A HN 1.008 nan 8.150 nan 0.000 0.448 510 A N -1.202 121.529 122.820 -0.149 0.000 1.929 510 A HA 0.107 4.426 4.320 -0.002 0.000 0.216 510 A C 1.657 179.081 177.584 -0.268 0.000 1.176 510 A CA 1.137 53.026 52.037 -0.247 0.000 0.628 510 A CB -0.588 18.186 19.000 -0.377 0.000 0.816 510 A HN 0.444 nan 8.150 nan 0.000 0.444 511 F N -0.641 119.314 119.950 0.008 0.000 2.780 511 F HA 0.312 4.838 4.527 -0.002 0.000 0.299 511 F C 1.880 177.712 175.800 0.053 0.000 1.146 511 F CA 0.581 58.614 58.000 0.056 0.000 1.428 511 F CB -0.055 39.025 39.000 0.132 0.000 1.115 511 F HN 0.370 nan 8.300 nan 0.000 0.583 512 G N -0.113 108.771 108.800 0.140 0.000 2.144 512 G HA2 -0.054 3.905 3.960 -0.002 0.000 0.218 512 G HA3 -0.054 3.905 3.960 -0.002 0.000 0.218 512 G C 0.289 175.243 174.900 0.091 0.000 0.988 512 G CA -0.201 44.953 45.100 0.090 0.000 0.659 512 G HN 0.611 nan 8.290 nan 0.000 0.522 513 A N -0.114 122.764 122.820 0.096 0.000 2.286 513 A HA 0.606 4.925 4.320 -0.002 0.000 0.286 513 A C 0.224 177.821 177.584 0.022 0.000 1.097 513 A CA -0.235 51.862 52.037 0.100 0.000 0.821 513 A CB 0.454 19.555 19.000 0.169 0.000 1.076 513 A HN 0.201 nan 8.150 nan 0.000 0.490 514 D N 0.977 121.406 120.400 0.048 0.000 2.434 514 D HA 0.336 4.975 4.640 -0.002 0.000 0.252 514 D C 0.323 176.556 176.300 -0.111 0.000 1.185 514 D CA 1.056 55.014 54.000 -0.070 0.000 0.886 514 D CB 0.886 41.696 40.800 0.016 0.000 1.148 514 D HN 0.622 nan 8.370 nan 0.000 0.483 515 G N 2.708 111.370 108.800 -0.229 0.000 2.522 515 G HA2 0.427 4.386 3.960 -0.002 0.000 0.318 515 G HA3 0.427 4.386 3.960 -0.002 0.000 0.318 515 G C -0.921 173.903 174.900 -0.127 0.000 1.192 515 G CA -0.534 44.530 45.100 -0.060 0.000 0.988 515 G HN 0.310 nan 8.290 nan 0.000 0.480 516 Y N 1.209 121.555 120.300 0.078 0.000 2.387 516 Y HA 0.538 5.087 4.550 -0.002 0.000 0.330 516 Y C 0.534 176.385 175.900 -0.082 0.000 1.133 516 Y CA -1.025 57.069 58.100 -0.010 0.000 1.152 516 Y CB 1.862 40.323 38.460 0.002 0.000 1.215 516 Y HN 0.775 nan 8.280 nan 0.000 0.466 517 H N 0.220 119.207 119.070 -0.139 0.000 2.609 517 H HA 0.754 5.309 4.556 -0.002 0.000 0.344 517 H C -1.376 173.897 175.328 -0.091 0.000 1.040 517 H CA -1.223 54.646 56.048 -0.298 0.000 1.216 517 H CB 1.294 30.535 29.762 -0.868 0.000 1.529 517 H HN 0.567 nan 8.280 nan 0.000 0.519 518 V N 1.091 120.992 119.914 -0.023 0.000 3.141 518 V HA 0.598 4.717 4.120 -0.002 0.000 0.312 518 V C -0.707 175.395 176.094 0.012 0.000 1.157 518 V CA -0.512 61.776 62.300 -0.020 0.000 1.041 518 V CB 2.430 34.285 31.823 0.053 0.000 1.071 518 V HN 1.076 nan 8.190 nan 0.000 0.441 519 D N -0.399 120.012 120.400 0.018 0.000 2.523 519 D HA 0.225 4.864 4.640 -0.002 0.000 0.269 519 D C 0.179 176.491 176.300 0.020 0.000 1.374 519 D CA 0.769 54.780 54.000 0.017 0.000 0.820 519 D CB -0.010 40.819 40.800 0.050 0.000 1.211 519 D HN 1.081 nan 8.370 nan 0.000 0.502 520 S N -1.324 114.397 115.700 0.035 0.000 2.607 520 S HA 0.481 4.950 4.470 -0.002 0.000 0.273 520 S C 0.987 175.639 174.600 0.087 0.000 1.148 520 S CA -0.299 57.929 58.200 0.046 0.000 0.833 520 S CB 1.624 64.844 63.200 0.033 0.000 1.130 520 S HN -0.180 nan 8.310 nan 0.000 0.470 521 V N 0.877 120.833 119.914 0.070 0.000 2.278 521 V HA -0.216 3.903 4.120 -0.002 0.000 0.251 521 V C 2.702 178.835 176.094 0.065 0.000 1.062 521 V CA 2.696 65.044 62.300 0.081 0.000 1.038 521 V CB -1.344 30.476 31.823 -0.005 0.000 0.646 521 V HN 1.022 nan 8.190 nan 0.000 0.447 522 E N 1.416 121.634 120.200 0.030 0.000 2.005 522 E HA -0.236 4.112 4.350 -0.002 0.000 0.198 522 E C 2.375 178.990 176.600 0.024 0.000 1.010 522 E CA 2.207 58.614 56.400 0.012 0.000 0.825 522 E CB -0.428 29.274 29.700 0.004 0.000 0.769 522 E HN 0.731 nan 8.360 nan 0.000 0.456 523 S N -0.286 115.439 115.700 0.042 0.000 2.382 523 S HA -0.178 4.291 4.470 -0.002 0.000 0.228 523 S C 2.030 176.684 174.600 0.089 0.000 1.027 523 S CA 1.051 59.275 58.200 0.040 0.000 0.991 523 S CB -0.673 62.539 63.200 0.021 0.000 0.823 523 S HN 0.386 nan 8.310 nan 0.000 0.469 524 F N 3.909 123.826 119.950 -0.056 0.000 2.113 524 F HA -0.040 4.486 4.527 -0.002 0.000 0.297 524 F C 2.634 178.385 175.800 -0.083 0.000 1.103 524 F CA 1.115 59.075 58.000 -0.067 0.000 1.248 524 F CB -1.053 37.922 39.000 -0.043 0.000 0.999 524 F HN 0.369 nan 8.300 nan 0.000 0.475 525 S N 0.572 116.162 115.700 -0.183 0.000 2.402 525 S HA -0.042 4.427 4.470 -0.002 0.000 0.229 525 S C 2.318 176.799 174.600 -0.200 0.000 1.021 525 S CA 0.676 58.716 58.200 -0.266 0.000 0.974 525 S CB -1.201 61.925 63.200 -0.125 0.000 0.800 525 S HN 0.418 nan 8.310 nan 0.000 0.484 526 A N 2.564 125.310 122.820 -0.122 0.000 1.865 526 A HA 0.172 4.491 4.320 -0.002 0.000 0.217 526 A C 2.585 180.066 177.584 -0.172 0.000 1.191 526 A CA 2.025 54.000 52.037 -0.104 0.000 0.623 526 A CB -1.605 17.367 19.000 -0.045 0.000 0.826 526 A HN 0.843 nan 8.150 nan 0.000 0.444 527 A N -0.908 121.793 122.820 -0.198 0.000 1.902 527 A HA -0.040 4.279 4.320 -0.002 0.000 0.217 527 A C 2.137 179.358 177.584 -0.605 0.000 1.181 527 A CA 1.811 53.598 52.037 -0.417 0.000 0.623 527 A CB -0.601 18.235 19.000 -0.273 0.000 0.818 527 A HN 0.641 nan 8.150 nan 0.000 0.443 528 L N -0.457 120.452 121.223 -0.523 0.000 2.093 528 L HA 0.005 4.344 4.340 -0.002 0.000 0.208 528 L C 2.647 179.182 176.870 -0.558 0.000 1.085 528 L CA 2.002 56.483 54.840 -0.598 0.000 0.755 528 L CB -0.827 40.753 42.059 -0.798 0.000 0.904 528 L HN 0.347 nan 8.230 nan 0.000 0.435 529 A N -1.432 121.133 122.820 -0.425 0.000 1.872 529 A HA -0.209 4.110 4.320 -0.002 0.000 0.214 529 A C 2.286 179.684 177.584 -0.309 0.000 1.187 529 A CA 1.494 53.343 52.037 -0.314 0.000 0.614 529 A CB -0.598 18.309 19.000 -0.155 0.000 0.826 529 A HN 0.567 nan 8.150 nan 0.000 0.442 530 Q N -0.573 119.046 119.800 -0.302 0.000 2.020 530 Q HA -0.168 4.171 4.340 -0.002 0.000 0.202 530 Q C 2.338 178.091 176.000 -0.412 0.000 0.982 530 Q CA 1.657 57.268 55.803 -0.320 0.000 0.838 530 Q CB -0.302 28.381 28.738 -0.092 0.000 0.899 530 Q HN 0.608 nan 8.270 nan 0.000 0.423 531 A N 0.512 123.122 122.820 -0.350 0.000 1.933 531 A HA -0.164 4.155 4.320 -0.002 0.000 0.218 531 A C 1.905 179.394 177.584 -0.158 0.000 1.175 531 A CA 1.032 52.959 52.037 -0.183 0.000 0.628 531 A CB -0.503 18.282 19.000 -0.359 0.000 0.814 531 A HN 0.401 nan 8.150 nan 0.000 0.444 532 L N -0.756 120.310 121.223 -0.262 0.000 2.217 532 L HA 0.123 4.462 4.340 -0.002 0.000 0.211 532 L C 2.518 179.290 176.870 -0.164 0.000 1.107 532 L CA 1.568 56.280 54.840 -0.214 0.000 0.783 532 L CB -0.697 41.166 42.059 -0.326 0.000 0.919 532 L HN 0.349 nan 8.230 nan 0.000 0.442 533 A N -2.306 120.369 122.820 -0.242 0.000 2.123 533 A HA -0.001 4.318 4.320 -0.002 0.000 0.214 533 A C 0.466 177.984 177.584 -0.110 0.000 1.152 533 A CA 0.260 52.173 52.037 -0.208 0.000 0.728 533 A CB -0.601 18.232 19.000 -0.278 0.000 0.814 533 A HN 0.439 nan 8.150 nan 0.000 0.464 534 H N -0.549 118.528 119.070 0.012 0.000 2.479 534 H HA 0.249 4.804 4.556 -0.002 0.000 0.335 534 H C -0.562 174.788 175.328 0.037 0.000 1.142 534 H CA -1.144 54.926 56.048 0.036 0.000 1.234 534 H CB 0.719 30.522 29.762 0.067 0.000 1.503 534 H HN 0.135 nan 8.280 nan 0.000 0.510 535 N N 2.485 121.291 118.700 0.176 0.000 3.245 535 N HA 0.062 4.801 4.740 -0.002 0.000 0.296 535 N C -0.671 174.908 175.510 0.114 0.000 1.254 535 N CA -0.040 53.078 53.050 0.112 0.000 1.190 535 N CB -0.471 38.065 38.487 0.082 0.000 1.460 535 N HN 0.447 nan 8.380 nan 0.000 0.538 536 R N 0.481 121.065 120.500 0.140 0.000 2.643 536 R HA 0.457 4.796 4.340 -0.002 0.000 0.269 536 R C -2.624 173.775 176.300 0.164 0.000 1.037 536 R CA -1.557 54.628 56.100 0.142 0.000 0.894 536 R CB 1.903 32.289 30.300 0.143 0.000 1.238 536 R HN 0.160 nan 8.270 nan 0.000 0.459 537 P HA 0.148 nan 4.420 nan 0.000 0.264 537 P C -1.375 176.084 177.300 0.265 0.000 1.193 537 P CA 0.042 63.279 63.100 0.228 0.000 0.763 537 P CB 1.116 32.974 31.700 0.264 0.000 0.810 538 A N 2.909 125.910 122.820 0.302 0.000 2.454 538 A HA 0.623 4.942 4.320 -0.002 0.000 0.302 538 A C -1.108 176.705 177.584 0.381 0.000 1.079 538 A CA -0.566 51.678 52.037 0.346 0.000 0.731 538 A CB 1.629 20.844 19.000 0.359 0.000 1.299 538 A HN 0.650 nan 8.150 nan 0.000 0.413 539 C N 2.613 122.119 119.300 0.343 0.000 2.397 539 C HA 0.754 5.213 4.460 -0.002 0.000 0.325 539 C C -1.049 174.153 174.990 0.354 0.000 1.201 539 C CA -0.578 58.630 59.018 0.316 0.000 1.377 539 C CB -1.064 26.715 27.740 0.064 0.000 2.038 539 C HN 0.624 nan 8.230 nan 0.000 0.457 540 I N 5.972 126.714 120.570 0.288 0.000 2.354 540 I HA 0.289 4.458 4.170 -0.002 0.000 0.286 540 I C -0.151 176.071 176.117 0.174 0.000 1.007 540 I CA -0.069 61.384 61.300 0.256 0.000 1.167 540 I CB 0.817 38.961 38.000 0.239 0.000 1.320 540 I HN 0.613 nan 8.210 nan 0.000 0.458 541 N N 6.478 125.289 118.700 0.184 0.000 2.406 541 N HA 0.240 4.979 4.740 -0.002 0.000 0.251 541 N C -0.975 174.561 175.510 0.043 0.000 1.069 541 N CA -0.164 52.985 53.050 0.165 0.000 0.947 541 N CB 1.072 39.774 38.487 0.359 0.000 1.111 541 N HN 0.283 nan 8.380 nan 0.000 0.497 542 V N 2.787 122.659 119.914 -0.070 0.000 2.311 542 V HA 0.494 4.613 4.120 -0.002 0.000 0.275 542 V C 0.464 176.484 176.094 -0.123 0.000 1.022 542 V CA -1.312 60.861 62.300 -0.212 0.000 0.830 542 V CB 0.620 32.111 31.823 -0.552 0.000 1.012 542 V HN 0.750 nan 8.190 nan 0.000 0.452 543 A N 5.132 127.918 122.820 -0.056 0.000 2.491 543 A HA 0.577 4.896 4.320 -0.002 0.000 0.261 543 A C -0.244 177.305 177.584 -0.059 0.000 1.101 543 A CA 0.159 52.183 52.037 -0.022 0.000 0.772 543 A CB 0.340 19.352 19.000 0.021 0.000 1.043 543 A HN 0.711 nan 8.150 nan 0.000 0.501 544 V N 1.905 121.785 119.914 -0.056 0.000 2.971 544 V HA 0.627 4.746 4.120 -0.002 0.000 0.309 544 V C 0.507 176.564 176.094 -0.062 0.000 1.130 544 V CA -0.274 61.976 62.300 -0.083 0.000 0.964 544 V CB 2.077 33.825 31.823 -0.126 0.000 1.029 544 V HN 1.337 nan 8.190 nan 0.000 0.427 545 A N 2.797 125.563 122.820 -0.091 0.000 2.462 545 A HA 0.439 4.758 4.320 -0.002 0.000 0.243 545 A C 0.527 178.087 177.584 -0.039 0.000 1.076 545 A CA 0.241 52.239 52.037 -0.066 0.000 0.773 545 A CB 0.362 19.300 19.000 -0.103 0.000 1.010 545 A HN 0.980 nan 8.150 nan 0.000 0.493 546 L N 0.938 122.182 121.223 0.034 0.000 2.316 546 L HA 0.124 4.463 4.340 -0.002 0.000 0.207 546 L C 1.493 178.507 176.870 0.240 0.000 1.070 546 L CA 1.673 56.585 54.840 0.120 0.000 0.820 546 L CB -0.556 41.577 42.059 0.123 0.000 0.992 546 L HN 0.750 nan 8.230 nan 0.000 0.466 547 D N 0.749 121.234 120.400 0.141 0.000 2.133 547 D HA -0.089 4.550 4.640 -0.002 0.000 0.195 547 D C -1.336 175.063 176.300 0.164 0.000 0.997 547 D CA 1.059 55.124 54.000 0.109 0.000 0.840 547 D CB -1.715 39.115 40.800 0.050 0.000 0.947 547 D HN 0.366 nan 8.370 nan 0.000 0.452 548 P HA 0.014 nan 4.420 nan 0.000 0.264 548 P C -0.107 177.504 177.300 0.518 0.000 1.183 548 P CA 0.453 63.728 63.100 0.292 0.000 0.763 548 P CB 0.463 32.202 31.700 0.065 0.000 0.807 549 I N 5.478 126.293 120.570 0.408 0.000 2.328 549 I HA 0.229 4.398 4.170 -0.002 0.000 0.287 549 I C -1.824 174.248 176.117 -0.075 0.000 1.012 549 I CA -2.627 58.811 61.300 0.231 0.000 1.195 549 I CB 1.497 39.570 38.000 0.122 0.000 1.350 549 I HN 0.161 nan 8.210 nan 0.000 0.464 550 P HA 0.114 nan 4.420 nan 0.000 0.269 550 P C -2.277 174.655 177.300 -0.613 0.000 1.209 550 P CA -1.213 61.030 63.100 -1.428 0.000 0.776 550 P CB 0.243 30.937 31.700 -1.677 0.000 0.876 551 P HA -0.196 nan 4.420 nan 0.000 0.216 551 P C 1.471 178.629 177.300 -0.236 0.000 1.153 551 P CA 1.613 64.567 63.100 -0.244 0.000 0.858 551 P CB -0.046 31.556 31.700 -0.162 0.000 0.789 552 E N -0.178 119.875 120.200 -0.245 0.000 2.160 552 E HA -0.213 4.136 4.350 -0.002 0.000 0.195 552 E C 1.954 178.459 176.600 -0.158 0.000 0.991 552 E CA 1.042 57.330 56.400 -0.185 0.000 0.810 552 E CB -0.471 29.158 29.700 -0.118 0.000 0.742 552 E HN 0.474 nan 8.360 nan 0.000 0.466 553 E N 0.417 120.513 120.200 -0.173 0.000 2.051 553 E HA -0.143 4.206 4.350 -0.002 0.000 0.192 553 E C 2.370 178.929 176.600 -0.069 0.000 0.991 553 E CA 0.656 56.998 56.400 -0.095 0.000 0.799 553 E CB -0.132 29.523 29.700 -0.075 0.000 0.748 553 E HN 0.212 nan 8.360 nan 0.000 0.449 554 L N 0.979 122.147 121.223 -0.092 0.000 2.079 554 L HA -0.149 4.190 4.340 -0.002 0.000 0.210 554 L C 1.639 178.467 176.870 -0.069 0.000 1.081 554 L CA 0.551 55.354 54.840 -0.063 0.000 0.752 554 L CB -0.350 41.674 42.059 -0.057 0.000 0.896 554 L HN 0.095 nan 8.230 nan 0.000 0.433 555 I N 0.000 120.479 120.570 -0.151 0.000 2.984 555 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 555 I CA 0.000 61.182 61.300 -0.196 0.000 1.566 555 I CB 0.000 37.727 38.000 -0.455 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494