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 2ag0_1_A DATA FIRST_RESID 2 DATA SEQUENCE AMITGGELVV RTLIKAGVEH LFGLHGAHID 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 52.044 52.037 0.011 0.000 0.836 2 A CB 0.000 19.006 19.000 0.009 0.000 0.831 3 M N 2.103 121.709 119.600 0.010 0.000 2.162 3 M HA 0.505 4.985 4.480 0.000 0.000 0.356 3 M C -0.089 176.221 176.300 0.016 0.000 1.303 3 M CA -0.104 55.202 55.300 0.010 0.000 1.116 3 M CB -0.087 32.516 32.600 0.005 0.000 1.632 3 M HN 0.602 nan 8.290 nan 0.000 0.469 4 I N -0.076 120.505 120.570 0.019 0.000 2.934 4 I HA 0.743 4.913 4.170 0.000 0.000 0.306 4 I C 0.205 176.339 176.117 0.028 0.000 1.110 4 I CA -0.890 60.427 61.300 0.028 0.000 1.019 4 I CB 2.309 40.331 38.000 0.037 0.000 1.227 4 I HN 0.645 nan 8.210 nan 0.000 0.434 5 T N 0.479 115.055 114.554 0.037 0.000 2.874 5 T HA 0.396 4.746 4.350 0.000 0.000 0.281 5 T C 1.183 175.908 174.700 0.042 0.000 0.994 5 T CA -0.037 62.087 62.100 0.039 0.000 1.015 5 T CB 1.325 70.225 68.868 0.053 0.000 1.028 5 T HN 0.917 nan 8.240 nan 0.000 0.523 6 G N 0.199 109.025 108.800 0.043 0.000 2.422 6 G HA2 0.022 3.983 3.960 0.000 0.000 0.218 6 G HA3 0.022 3.983 3.960 0.000 0.000 0.218 6 G C 1.561 176.494 174.900 0.055 0.000 1.146 6 G CA 0.564 45.691 45.100 0.046 0.000 0.769 6 G HN 1.031 nan 8.290 nan 0.000 0.547 7 G N 0.469 109.310 108.800 0.069 0.000 2.440 7 G HA2 -0.185 3.776 3.960 0.000 0.000 0.218 7 G HA3 -0.185 3.776 3.960 0.000 0.000 0.218 7 G C 1.631 176.563 174.900 0.054 0.000 1.154 7 G CA 1.087 46.229 45.100 0.071 0.000 0.767 7 G HN 0.351 nan 8.290 nan 0.000 0.552 8 E N 0.303 120.538 120.200 0.059 0.000 2.085 8 E HA -0.074 4.276 4.350 0.000 0.000 0.194 8 E C 2.722 179.336 176.600 0.024 0.000 0.994 8 E CA 0.607 57.041 56.400 0.057 0.000 0.801 8 E CB -0.317 29.427 29.700 0.074 0.000 0.743 8 E HN 0.462 nan 8.360 nan 0.000 0.453 9 L N 0.099 121.338 121.223 0.028 0.000 2.046 9 L HA -0.192 4.149 4.340 0.000 0.000 0.208 9 L C 2.581 179.456 176.870 0.008 0.000 1.077 9 L CA 0.732 55.584 54.840 0.019 0.000 0.747 9 L CB -0.487 41.590 42.059 0.030 0.000 0.896 9 L HN 0.003 nan 8.230 nan 0.000 0.432 10 V N -0.672 119.251 119.914 0.015 0.000 2.255 10 V HA -0.282 3.838 4.120 0.000 0.000 0.247 10 V C 2.379 178.456 176.094 -0.028 0.000 1.051 10 V CA 1.810 64.114 62.300 0.007 0.000 1.018 10 V CB -0.370 31.463 31.823 0.018 0.000 0.641 10 V HN 0.207 nan 8.190 nan 0.000 0.445 11 V N -0.319 119.563 119.914 -0.053 0.000 2.427 11 V HA -0.206 3.915 4.120 0.000 0.000 0.248 11 V C 2.559 178.544 176.094 -0.182 0.000 1.051 11 V CA 1.841 64.072 62.300 -0.115 0.000 1.048 11 V CB -0.796 30.957 31.823 -0.118 0.000 0.666 11 V HN 0.465 nan 8.190 nan 0.000 0.456 12 R N -0.154 120.244 120.500 -0.171 0.000 2.120 12 R HA -0.133 4.207 4.340 0.000 0.000 0.234 12 R C 2.317 178.561 176.300 -0.094 0.000 1.123 12 R CA 1.891 57.890 56.100 -0.167 0.000 0.975 12 R CB -0.602 29.643 30.300 -0.091 0.000 0.866 12 R HN 0.524 nan 8.270 nan 0.000 0.446 13 T N 1.399 115.919 114.554 -0.057 0.000 2.857 13 T HA 0.001 4.351 4.350 0.000 0.000 0.266 13 T C 1.919 176.600 174.700 -0.032 0.000 1.048 13 T CA 0.739 62.822 62.100 -0.028 0.000 1.139 13 T CB -0.068 68.799 68.868 -0.001 0.000 0.874 13 T HN 0.109 nan 8.240 nan 0.000 0.455 14 L N 0.421 121.617 121.223 -0.046 0.000 2.046 14 L HA -0.058 4.282 4.340 0.000 0.000 0.208 14 L C 2.462 179.298 176.870 -0.056 0.000 1.077 14 L CA 1.274 56.086 54.840 -0.046 0.000 0.747 14 L CB -0.675 41.348 42.059 -0.061 0.000 0.896 14 L HN 0.246 nan 8.230 nan 0.000 0.432 15 I N -0.052 120.465 120.570 -0.089 0.000 2.179 15 I HA -0.319 3.852 4.170 0.000 0.000 0.242 15 I C 2.607 178.694 176.117 -0.049 0.000 1.088 15 I CA 1.425 62.674 61.300 -0.085 0.000 1.357 15 I CB -0.248 37.673 38.000 -0.131 0.000 1.051 15 I HN 0.177 nan 8.210 nan 0.000 0.409 16 K N 0.872 121.246 120.400 -0.044 0.000 2.280 16 K HA -0.092 4.228 4.320 0.000 0.000 0.202 16 K C 1.822 178.414 176.600 -0.014 0.000 1.047 16 K CA 1.151 57.424 56.287 -0.024 0.000 0.942 16 K CB -0.025 32.464 32.500 -0.020 0.000 0.739 16 K HN 0.343 nan 8.250 nan 0.000 0.457 17 A N -0.502 122.310 122.820 -0.014 0.000 2.251 17 A HA 0.233 4.553 4.320 0.000 0.000 0.209 17 A C 1.274 178.859 177.584 0.002 0.000 1.187 17 A CA 0.681 52.717 52.037 -0.003 0.000 0.823 17 A CB -0.186 18.816 19.000 0.003 0.000 0.846 17 A HN 0.428 nan 8.150 nan 0.000 0.486 18 G N -0.910 107.888 108.800 -0.004 0.000 2.141 18 G HA2 -0.116 3.844 3.960 0.000 0.000 0.242 18 G HA3 -0.116 3.844 3.960 0.000 0.000 0.242 18 G C 0.431 175.342 174.900 0.017 0.000 0.982 18 G CA 0.459 45.562 45.100 0.005 0.000 0.662 18 G HN 1.796 nan 8.290 nan 0.000 0.527 19 V N -1.640 118.277 119.914 0.005 0.000 2.614 19 V HA 0.765 4.885 4.120 0.000 0.000 0.291 19 V C 0.782 176.853 176.094 -0.038 0.000 1.049 19 V CA 0.789 63.097 62.300 0.014 0.000 1.038 19 V CB 1.532 33.356 31.823 0.002 0.000 0.980 19 V HN 0.333 nan 8.190 nan 0.000 0.481 20 E N 2.693 122.872 120.200 -0.035 0.000 2.514 20 E HA 0.274 4.624 4.350 0.000 0.000 0.215 20 E C -0.753 175.519 176.600 -0.547 0.000 0.946 20 E CA -0.023 56.247 56.400 -0.217 0.000 1.038 20 E CB 0.581 30.190 29.700 -0.151 0.000 1.069 20 E HN 0.979 nan 8.360 nan 0.000 0.503 21 H N -0.795 118.161 119.070 -0.190 0.000 2.974 21 H HA 0.422 4.979 4.556 0.001 0.000 0.366 21 H C -1.334 173.698 175.328 -0.493 0.000 1.155 21 H CA -0.662 55.145 56.048 -0.402 0.000 1.186 21 H CB 1.521 30.933 29.762 -0.584 0.000 1.799 21 H HN -0.148 nan 8.280 nan 0.000 0.541 22 L N 1.863 122.825 121.223 -0.434 0.000 2.323 22 L HA 0.560 4.901 4.340 0.000 0.000 0.265 22 L C -1.161 175.328 176.870 -0.635 0.000 1.012 22 L CA -0.438 54.162 54.840 -0.400 0.000 0.820 22 L CB 1.186 43.077 42.059 -0.280 0.000 1.334 22 L HN 0.497 nan 8.230 nan 0.000 0.427 23 F N 0.137 119.993 119.950 -0.156 0.000 2.507 23 F HA 0.792 5.320 4.527 0.001 0.000 0.328 23 F C 0.565 176.329 175.800 -0.059 0.000 1.136 23 F CA -0.415 57.523 58.000 -0.103 0.000 0.930 23 F CB 2.033 40.966 39.000 -0.112 0.000 1.166 23 F HN 0.490 nan 8.300 nan 0.000 0.436 24 G N 2.368 111.251 108.800 0.139 0.000 2.570 24 G HA2 0.613 4.574 3.960 0.000 0.000 0.310 24 G HA3 0.613 4.574 3.960 0.000 0.000 0.310 24 G C -2.683 172.335 174.900 0.196 0.000 1.266 24 G CA -0.655 44.534 45.100 0.149 0.000 0.825 24 G HN 0.451 nan 8.290 nan 0.000 0.483 25 L N 0.642 122.004 121.223 0.232 0.000 2.543 25 L HA 0.536 4.876 4.340 0.000 0.000 0.265 25 L C -0.746 176.245 176.870 0.202 0.000 0.945 25 L CA -0.728 54.231 54.840 0.198 0.000 0.869 25 L CB 1.203 43.322 42.059 0.100 0.000 1.294 25 L HN 0.909 nan 8.230 nan 0.000 0.405 26 H N 2.859 121.931 119.070 0.003 0.000 2.790 26 H HA 0.592 5.148 4.556 0.000 0.000 0.358 26 H C -0.027 175.192 175.328 -0.182 0.000 1.103 26 H CA 1.269 57.130 56.048 -0.312 0.000 1.426 26 H CB 1.158 30.522 29.762 -0.663 0.000 1.424 26 H HN 0.825 nan 8.280 nan 0.000 0.599 27 G N 1.418 109.708 108.800 -0.850 0.000 2.690 27 G HA2 0.467 4.428 3.960 0.000 0.000 0.293 27 G HA3 0.467 4.428 3.960 0.000 0.000 0.293 27 G C 0.210 174.673 174.900 -0.729 0.000 1.399 27 G CA -0.308 44.462 45.100 -0.551 0.000 0.890 27 G HN 0.858 nan 8.290 nan 0.000 0.485 28 A N -0.058 122.562 122.820 -0.333 0.000 1.940 28 A HA -0.075 4.245 4.320 0.000 0.000 0.219 28 A C 1.780 179.086 177.584 -0.463 0.000 1.176 28 A CA 1.847 53.728 52.037 -0.259 0.000 0.631 28 A CB -0.871 18.028 19.000 -0.168 0.000 0.814 28 A HN 0.794 nan 8.150 nan 0.000 0.446 29 H N -0.331 118.272 119.070 -0.778 0.000 2.457 29 H HA -0.087 4.470 4.556 0.001 0.000 0.297 29 H C 1.477 176.551 175.328 -0.424 0.000 1.092 29 H CA 1.618 57.052 56.048 -1.023 0.000 1.309 29 H CB -0.071 29.232 29.762 -0.767 0.000 1.382 29 H HN 0.746 nan 8.280 nan 0.000 0.535 30 I N -2.140 118.338 120.570 -0.153 0.000 3.936 30 I HA 0.164 4.334 4.170 0.000 0.000 0.330 30 I C 1.030 177.206 176.117 0.099 0.000 1.509 30 I CA -0.060 61.246 61.300 0.009 0.000 1.126 30 I CB 0.462 38.494 38.000 0.054 0.000 1.115 30 I HN -0.198 nan 8.210 nan 0.000 0.424 31 D N 2.279 122.699 120.400 0.034 0.000 2.218 31 D HA -0.211 4.429 4.640 0.000 0.000 0.204 31 D C 2.262 178.708 176.300 0.243 0.000 0.976 31 D CA 2.271 56.368 54.000 0.162 0.000 0.853 31 D CB 0.285 41.183 40.800 0.163 0.000 0.939 31 D HN 0.536 nan 8.370 nan 0.000 0.481 32 T N -1.775 112.896 114.554 0.195 0.000 2.881 32 T HA -0.117 4.233 4.350 0.000 0.000 0.270 32 T C 2.138 176.932 174.700 0.156 0.000 1.068 32 T CA 0.802 63.002 62.100 0.166 0.000 1.131 32 T CB -0.457 68.497 68.868 0.143 0.000 0.871 32 T HN 0.217 nan 8.240 nan 0.000 0.479 33 I N -0.449 120.219 120.570 0.165 0.000 2.286 33 I HA 0.034 4.205 4.170 0.000 0.000 0.245 33 I C 2.179 178.341 176.117 0.075 0.000 1.104 33 I CA 1.006 62.361 61.300 0.092 0.000 1.397 33 I CB -0.388 37.638 38.000 0.043 0.000 1.072 33 I HN 0.097 nan 8.210 nan 0.000 0.417 34 F N 1.204 121.192 119.950 0.064 0.000 2.095 34 F HA -0.265 4.262 4.527 0.000 0.000 0.298 34 F C 2.780 178.623 175.800 0.071 0.000 1.104 34 F CA 1.489 59.538 58.000 0.082 0.000 1.232 34 F CB -0.505 38.589 39.000 0.156 0.000 0.987 34 F HN 0.085 nan 8.300 nan 0.000 0.475 35 Q N -0.046 119.911 119.800 0.261 0.000 2.084 35 Q HA -0.143 4.198 4.340 0.000 0.000 0.202 35 Q C 2.564 178.639 176.000 0.125 0.000 0.978 35 Q CA 1.478 57.380 55.803 0.165 0.000 0.844 35 Q CB -1.079 27.741 28.738 0.137 0.000 0.898 35 Q HN 0.449 nan 8.270 nan 0.000 0.426 36 A N 0.437 123.332 122.820 0.125 0.000 1.902 36 A HA -0.174 4.146 4.320 0.000 0.000 0.217 36 A C 2.554 180.238 177.584 0.168 0.000 1.181 36 A CA 1.429 53.556 52.037 0.150 0.000 0.623 36 A CB -0.954 18.116 19.000 0.117 0.000 0.818 36 A HN 0.458 nan 8.150 nan 0.000 0.443 37 C N -0.865 118.474 119.300 0.066 0.000 2.425 37 C HA -0.057 4.403 4.460 0.000 0.000 0.277 37 C C 2.496 177.512 174.990 0.042 0.000 1.280 37 C CA 0.952 59.979 59.018 0.015 0.000 1.744 37 C CB -1.239 26.439 27.740 -0.104 0.000 1.989 37 C HN 0.658 nan 8.230 nan 0.000 0.491 38 L N 1.036 122.293 121.223 0.056 0.000 2.046 38 L HA -0.134 4.207 4.340 0.000 0.000 0.208 38 L C 2.009 178.894 176.870 0.025 0.000 1.077 38 L CA 2.150 57.018 54.840 0.047 0.000 0.747 38 L CB -1.037 41.064 42.059 0.069 0.000 0.896 38 L HN 0.320 nan 8.230 nan 0.000 0.432 39 D N -1.023 119.391 120.400 0.023 0.000 2.178 39 D HA -0.158 4.483 4.640 0.000 0.000 0.202 39 D C 1.584 177.791 176.300 -0.156 0.000 0.974 39 D CA 1.245 55.201 54.000 -0.073 0.000 0.841 39 D CB -0.039 40.694 40.800 -0.113 0.000 0.953 39 D HN 0.497 nan 8.370 nan 0.000 0.478 40 H N -0.206 118.855 119.070 -0.016 0.000 2.586 40 H HA 0.130 4.686 4.556 0.001 0.000 0.273 40 H C -0.132 175.174 175.328 -0.038 0.000 0.997 40 H CA -0.001 56.032 56.048 -0.025 0.000 1.177 40 H CB 0.488 30.232 29.762 -0.030 0.000 1.471 40 H HN -0.090 nan 8.280 nan 0.000 0.538 41 D N 0.324 120.752 120.400 0.047 0.000 2.945 41 D HA -0.155 4.486 4.640 0.000 0.000 0.225 41 D C -0.740 175.542 176.300 -0.029 0.000 1.158 41 D CA 0.383 54.385 54.000 0.004 0.000 0.805 41 D CB -0.944 39.854 40.800 -0.003 0.000 1.098 41 D HN 0.132 nan 8.370 nan 0.000 0.426 42 V N 2.164 122.056 119.914 -0.036 0.000 2.385 42 V HA 0.274 4.394 4.120 0.000 0.000 0.269 42 V C -1.519 174.495 176.094 -0.134 0.000 1.043 42 V CA -0.973 61.260 62.300 -0.112 0.000 0.906 42 V CB 1.390 33.141 31.823 -0.119 0.000 0.995 42 V HN -0.000 nan 8.190 nan 0.000 0.467 43 P HA 0.351 nan 4.420 nan 0.000 0.275 43 P C -0.715 176.467 177.300 -0.197 0.000 1.227 43 P CA -0.089 62.932 63.100 -0.132 0.000 0.781 43 P CB 1.094 32.746 31.700 -0.080 0.000 0.906 44 I N 3.713 124.171 120.570 -0.186 0.000 2.355 44 I HA 0.268 4.438 4.170 0.000 0.000 0.288 44 I C 0.505 176.522 176.117 -0.166 0.000 0.999 44 I CA -0.930 60.217 61.300 -0.254 0.000 1.163 44 I CB 1.303 39.088 38.000 -0.359 0.000 1.316 44 I HN 0.092 nan 8.210 nan 0.000 0.454 45 I N 6.331 126.737 120.570 -0.272 0.000 2.329 45 I HA 0.063 4.233 4.170 0.000 0.000 0.295 45 I C 0.146 176.276 176.117 0.021 0.000 1.109 45 I CA -0.090 61.130 61.300 -0.133 0.000 1.297 45 I CB -0.278 37.594 38.000 -0.213 0.000 1.433 45 I HN 0.604 nan 8.210 nan 0.000 0.509 46 D N 5.137 125.584 120.400 0.078 0.000 2.249 46 D HA 0.244 4.884 4.640 0.000 0.000 0.246 46 D C 0.408 176.768 176.300 0.100 0.000 1.114 46 D CA -0.325 53.753 54.000 0.130 0.000 0.854 46 D CB 1.909 42.816 40.800 0.177 0.000 1.132 46 D HN 0.485 nan 8.370 nan 0.000 0.461 47 T N 0.180 114.796 114.554 0.102 0.000 2.898 47 T HA 0.370 4.720 4.350 0.000 0.000 0.283 47 T C 0.975 175.697 174.700 0.037 0.000 1.059 47 T CA -0.816 61.321 62.100 0.062 0.000 0.958 47 T CB 1.264 70.176 68.868 0.072 0.000 1.594 47 T HN 0.226 nan 8.240 nan 0.000 0.598 48 R N -0.004 120.503 120.500 0.011 0.000 2.437 48 R HA 0.315 4.656 4.340 0.000 0.000 0.257 48 R C -0.137 176.203 176.300 0.066 0.000 0.927 48 R CA -0.076 56.029 56.100 0.009 0.000 1.078 48 R CB -0.477 29.793 30.300 -0.050 0.000 1.161 48 R HN 0.751 nan 8.270 nan 0.000 0.529 49 H N -0.413 118.644 119.070 -0.022 0.000 3.123 49 H HA 0.137 4.693 4.556 0.000 0.000 0.346 49 H C -0.077 175.249 175.328 -0.003 0.000 1.138 49 H CA -0.247 55.795 56.048 -0.011 0.000 1.273 49 H CB 1.610 31.362 29.762 -0.016 0.000 1.926 49 H HN -0.222 nan 8.280 nan 0.000 0.524 50 E N 2.859 123.182 120.200 0.206 0.000 2.153 50 E HA -0.074 4.276 4.350 0.000 0.000 0.194 50 E C 1.967 178.658 176.600 0.152 0.000 0.988 50 E CA 1.614 58.106 56.400 0.154 0.000 0.811 50 E CB 0.142 29.882 29.700 0.066 0.000 0.746 50 E HN 0.622 nan 8.360 nan 0.000 0.466 51 A N 1.117 124.092 122.820 0.259 0.000 1.883 51 A HA -0.196 4.124 4.320 0.000 0.000 0.217 51 A C 2.402 179.924 177.584 -0.104 0.000 1.186 51 A CA 2.074 54.073 52.037 -0.064 0.000 0.624 51 A CB -1.007 17.869 19.000 -0.207 0.000 0.822 51 A HN 0.314 nan 8.150 nan 0.000 0.444 52 A N -0.318 122.502 122.820 0.000 0.000 1.933 52 A HA 0.137 4.458 4.320 0.000 0.000 0.218 52 A C 2.503 180.100 177.584 0.023 0.000 1.175 52 A CA 2.194 54.250 52.037 0.030 0.000 0.628 52 A CB -1.008 17.985 19.000 -0.013 0.000 0.814 52 A HN 1.114 nan 8.150 nan 0.000 0.444 53 A N -0.466 122.382 122.820 0.047 0.000 1.902 53 A HA 0.114 4.434 4.320 0.000 0.000 0.217 53 A C 2.422 180.000 177.584 -0.011 0.000 1.181 53 A CA 1.987 54.066 52.037 0.070 0.000 0.623 53 A CB -1.398 17.677 19.000 0.124 0.000 0.818 53 A HN 0.713 nan 8.150 nan 0.000 0.443 54 G N -1.247 107.539 108.800 -0.024 0.000 2.421 54 G HA2 -0.246 3.715 3.960 0.000 0.000 0.216 54 G HA3 -0.246 3.715 3.960 0.000 0.000 0.216 54 G C 1.455 176.298 174.900 -0.097 0.000 1.171 54 G CA 1.069 46.157 45.100 -0.020 0.000 0.775 54 G HN 0.650 nan 8.290 nan 0.000 0.543 55 H N 0.853 119.912 119.070 -0.018 0.000 2.456 55 H HA 0.048 4.604 4.556 0.000 0.000 0.296 55 H C 2.834 178.055 175.328 -0.178 0.000 1.079 55 H CA 1.007 57.012 56.048 -0.071 0.000 1.322 55 H CB -0.441 29.284 29.762 -0.063 0.000 1.388 55 H HN 0.401 nan 8.280 nan 0.000 0.538 56 A N 1.063 123.777 122.820 -0.177 0.000 1.930 56 A HA -0.010 4.310 4.320 0.000 0.000 0.217 56 A C 2.707 179.786 177.584 -0.842 0.000 1.175 56 A CA 1.399 53.126 52.037 -0.516 0.000 0.627 56 A CB -0.653 17.970 19.000 -0.627 0.000 0.815 56 A HN 0.415 nan 8.150 nan 0.000 0.443 57 A N -0.002 122.426 122.820 -0.653 0.000 1.902 57 A HA -0.186 4.135 4.320 0.000 0.000 0.217 57 A C 1.893 179.367 177.584 -0.184 0.000 1.181 57 A CA 1.661 53.449 52.037 -0.414 0.000 0.623 57 A CB -0.569 18.264 19.000 -0.279 0.000 0.818 57 A HN 0.631 nan 8.150 nan 0.000 0.443 58 E N -0.740 119.381 120.200 -0.130 0.000 2.049 58 E HA -0.187 4.164 4.350 0.000 0.000 0.198 58 E C 2.178 178.747 176.600 -0.053 0.000 1.007 58 E CA 1.057 57.434 56.400 -0.039 0.000 0.809 58 E CB -0.470 29.250 29.700 0.033 0.000 0.749 58 E HN 0.608 nan 8.360 nan 0.000 0.450 59 G N 0.269 109.012 108.800 -0.095 0.000 2.418 59 G HA2 -0.311 3.649 3.960 0.000 0.000 0.217 59 G HA3 -0.311 3.649 3.960 0.000 0.000 0.217 59 G C 1.407 176.277 174.900 -0.049 0.000 1.158 59 G CA 0.954 45.999 45.100 -0.092 0.000 0.771 59 G HN 0.291 nan 8.290 nan 0.000 0.545 60 Y N 1.936 122.121 120.300 -0.192 0.000 2.128 60 Y HA -0.066 4.485 4.550 0.000 0.000 0.284 60 Y C 2.963 178.836 175.900 -0.045 0.000 1.154 60 Y CA 1.787 59.832 58.100 -0.091 0.000 1.149 60 Y CB -0.310 38.129 38.460 -0.035 0.000 0.976 60 Y HN 0.258 nan 8.280 nan 0.000 0.505 61 A N 0.518 123.394 122.820 0.093 0.000 1.877 61 A HA -0.207 4.113 4.320 0.000 0.000 0.216 61 A C 2.267 179.821 177.584 -0.050 0.000 1.186 61 A CA 1.986 54.035 52.037 0.020 0.000 0.620 61 A CB -0.678 18.351 19.000 0.049 0.000 0.822 61 A HN 0.545 nan 8.150 nan 0.000 0.443 62 R N -0.699 119.772 120.500 -0.049 0.000 2.081 62 R HA -0.039 4.301 4.340 0.000 0.000 0.235 62 R C 2.376 178.630 176.300 -0.075 0.000 1.131 62 R CA 1.271 57.335 56.100 -0.061 0.000 0.960 62 R CB -0.380 29.879 30.300 -0.068 0.000 0.856 62 R HN 0.512 nan 8.270 nan 0.000 0.436 63 A N -0.044 122.719 122.820 -0.095 0.000 2.016 63 A HA 0.049 4.370 4.320 0.000 0.000 0.217 63 A C 2.003 179.512 177.584 -0.125 0.000 1.162 63 A CA 1.323 53.301 52.037 -0.098 0.000 0.662 63 A CB -0.172 18.772 19.000 -0.093 0.000 0.812 63 A HN 0.440 nan 8.150 nan 0.000 0.450 64 G N -2.262 106.424 108.800 -0.190 0.000 3.126 64 G HA2 0.412 4.372 3.960 0.000 0.000 0.224 64 G HA3 0.412 4.372 3.960 0.000 0.000 0.224 64 G C 0.718 175.530 174.900 -0.148 0.000 1.142 64 G CA 0.559 45.528 45.100 -0.220 0.000 0.759 64 G HN 1.465 nan 8.290 nan 0.000 0.550 65 A N 0.331 123.088 122.820 -0.105 0.000 2.519 65 A HA -0.071 4.250 4.320 0.000 0.000 0.297 65 A C 0.702 178.254 177.584 -0.052 0.000 1.472 65 A CA 1.708 53.707 52.037 -0.063 0.000 0.739 65 A CB -2.030 16.941 19.000 -0.048 0.000 1.096 65 A HN 0.960 nan 8.150 nan 0.000 0.414 66 K N -1.639 118.733 120.400 -0.048 0.000 2.373 66 K HA 0.813 5.133 4.320 0.000 0.000 0.274 66 K C -0.609 176.019 176.600 0.047 0.000 1.024 66 K CA -1.034 55.250 56.287 -0.006 0.000 0.867 66 K CB 0.612 33.102 32.500 -0.018 0.000 1.524 66 K HN 0.799 nan 8.250 nan 0.000 0.406 67 L N 1.195 122.472 121.223 0.091 0.000 2.380 67 L HA 0.447 4.788 4.340 0.000 0.000 0.273 67 L C -0.033 176.958 176.870 0.201 0.000 1.138 67 L CA 0.669 55.575 54.840 0.110 0.000 0.832 67 L CB 1.100 43.211 42.059 0.087 0.000 1.124 67 L HN 0.765 nan 8.230 nan 0.000 0.454 68 G N 4.180 113.067 108.800 0.145 0.000 2.389 68 G HA2 0.599 4.559 3.960 0.000 0.000 0.328 68 G HA3 0.599 4.559 3.960 0.000 0.000 0.328 68 G C -1.543 173.353 174.900 -0.007 0.000 1.133 68 G CA -0.495 44.686 45.100 0.134 0.000 0.891 68 G HN 0.558 nan 8.290 nan 0.000 0.485 69 V N 0.841 120.746 119.914 -0.015 0.000 2.483 69 V HA 0.708 4.829 4.120 0.000 0.000 0.297 69 V C 0.218 176.275 176.094 -0.063 0.000 1.027 69 V CA -0.810 61.447 62.300 -0.071 0.000 0.855 69 V CB 1.100 32.894 31.823 -0.049 0.000 0.995 69 V HN 1.127 nan 8.190 nan 0.000 0.424 70 A N 5.331 128.044 122.820 -0.178 0.000 2.340 70 A HA 0.934 5.255 4.320 0.000 0.000 0.331 70 A C -1.006 176.573 177.584 -0.008 0.000 1.140 70 A CA -0.632 51.345 52.037 -0.101 0.000 0.801 70 A CB 1.527 20.379 19.000 -0.247 0.000 1.234 70 A HN 0.826 nan 8.150 nan 0.000 0.469 71 L N 3.582 124.832 121.223 0.045 0.000 2.446 71 L HA 0.643 4.984 4.340 0.000 0.000 0.268 71 L C -1.080 175.854 176.870 0.106 0.000 0.975 71 L CA -0.666 54.208 54.840 0.056 0.000 0.848 71 L CB 1.528 43.577 42.059 -0.018 0.000 1.225 71 L HN 0.775 nan 8.230 nan 0.000 0.410 72 V N 0.615 120.598 119.914 0.116 0.000 3.102 72 V HA 0.661 4.781 4.120 0.000 0.000 0.312 72 V C -0.275 175.852 176.094 0.056 0.000 1.135 72 V CA -0.511 61.849 62.300 0.100 0.000 1.022 72 V CB 1.932 33.823 31.823 0.113 0.000 1.056 72 V HN 0.671 nan 8.190 nan 0.000 0.436 73 T N 1.139 115.692 114.554 -0.002 0.000 2.862 73 T HA 0.728 5.078 4.350 0.000 0.000 0.276 73 T C 0.494 175.119 174.700 -0.125 0.000 0.974 73 T CA 0.299 62.345 62.100 -0.091 0.000 0.966 73 T CB 1.160 69.932 68.868 -0.160 0.000 1.072 73 T HN 1.744 nan 8.240 nan 0.000 0.538 74 A N 0.625 123.268 122.820 -0.294 0.000 2.466 74 A HA 0.542 4.863 4.320 0.000 0.000 0.238 74 A C 1.437 178.892 177.584 -0.215 0.000 1.074 74 A CA 0.532 52.382 52.037 -0.311 0.000 0.774 74 A CB -1.213 17.435 19.000 -0.587 0.000 1.015 74 A HN 1.836 nan 8.150 nan 0.000 0.498 75 G N 1.285 110.018 108.800 -0.111 0.000 2.557 75 G HA2 -0.116 3.844 3.960 0.000 0.000 0.292 75 G HA3 -0.116 3.844 3.960 0.000 0.000 0.292 75 G C 1.510 176.423 174.900 0.021 0.000 1.162 75 G CA 1.076 46.147 45.100 -0.048 0.000 0.964 75 G HN 1.995 nan 8.290 nan 0.000 0.541 76 G N 0.840 109.624 108.800 -0.026 0.000 2.448 76 G HA2 0.229 4.190 3.960 0.000 0.000 0.219 76 G HA3 0.229 4.190 3.960 0.000 0.000 0.219 76 G C 1.896 176.776 174.900 -0.033 0.000 1.127 76 G CA 2.106 47.190 45.100 -0.027 0.000 0.766 76 G HN 1.788 nan 8.290 nan 0.000 0.552 77 G N 0.686 109.467 108.800 -0.033 0.000 2.446 77 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 77 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 77 G C 1.589 176.508 174.900 0.031 0.000 1.168 77 G CA 1.044 46.135 45.100 -0.015 0.000 0.771 77 G HN 0.407 nan 8.290 nan 0.000 0.551 78 F N 2.586 122.493 119.950 -0.072 0.000 2.084 78 F HA -0.116 4.411 4.527 0.000 0.000 0.296 78 F C 3.052 178.809 175.800 -0.072 0.000 1.111 78 F CA 2.506 60.465 58.000 -0.068 0.000 1.224 78 F CB -0.746 38.203 39.000 -0.085 0.000 0.991 78 F HN 0.216 nan 8.300 nan 0.000 0.471 79 T N -1.460 112.974 114.554 -0.200 0.000 2.833 79 T HA -0.187 4.163 4.350 0.000 0.000 0.269 79 T C 1.695 176.238 174.700 -0.261 0.000 1.054 79 T CA 1.500 63.413 62.100 -0.312 0.000 1.135 79 T CB -0.769 68.059 68.868 -0.067 0.000 0.869 79 T HN 0.258 nan 8.240 nan 0.000 0.466 80 N N 1.951 120.563 118.700 -0.146 0.000 2.520 80 N HA 0.161 4.901 4.740 0.000 0.000 0.185 80 N C 1.628 177.090 175.510 -0.080 0.000 1.068 80 N CA 0.960 53.984 53.050 -0.044 0.000 0.911 80 N CB -0.353 38.131 38.487 -0.005 0.000 0.961 80 N HN 0.708 nan 8.380 nan 0.000 0.446 81 A N -0.449 122.235 122.820 -0.228 0.000 2.308 81 A HA 0.168 4.488 4.320 0.000 0.000 0.217 81 A C 2.050 179.397 177.584 -0.395 0.000 1.216 81 A CA -0.062 51.830 52.037 -0.243 0.000 0.864 81 A CB 0.107 19.009 19.000 -0.164 0.000 0.902 81 A HN 0.043 nan 8.150 nan 0.000 0.499 82 V N -0.248 119.407 119.914 -0.432 0.000 2.515 82 V HA -0.175 3.945 4.120 0.000 0.000 0.250 82 V C 2.699 178.637 176.094 -0.261 0.000 1.058 82 V CA 2.532 64.576 62.300 -0.427 0.000 1.064 82 V CB -0.746 30.834 31.823 -0.405 0.000 0.675 82 V HN 0.597 nan 8.190 nan 0.000 0.461 83 T N 0.370 114.819 114.554 -0.174 0.000 2.674 83 T HA -0.101 4.249 4.350 0.000 0.000 0.265 83 T C -0.065 174.619 174.700 -0.028 0.000 1.039 83 T CA 1.835 63.894 62.100 -0.068 0.000 1.150 83 T CB -1.239 67.630 68.868 0.001 0.000 0.864 83 T HN 0.427 nan 8.240 nan 0.000 0.427 84 P HA -0.060 nan 4.420 nan 0.000 0.216 84 P C 1.491 178.806 177.300 0.026 0.000 1.154 84 P CA 1.069 64.097 63.100 -0.120 0.000 0.865 84 P CB -0.259 31.285 31.700 -0.261 0.000 0.789 85 I N -0.667 119.741 120.570 -0.270 0.000 2.127 85 I HA -0.290 3.880 4.170 0.000 0.000 0.241 85 I C 2.389 178.483 176.117 -0.038 0.000 1.075 85 I CA 1.775 62.856 61.300 -0.366 0.000 1.334 85 I CB -1.031 36.563 38.000 -0.677 0.000 1.040 85 I HN -0.078 nan 8.210 nan 0.000 0.405 86 A N 0.615 123.415 122.820 -0.033 0.000 1.902 86 A HA -0.261 4.059 4.320 0.000 0.000 0.217 86 A C 2.201 179.897 177.584 0.186 0.000 1.181 86 A CA 2.066 54.155 52.037 0.088 0.000 0.623 86 A CB -1.004 18.017 19.000 0.035 0.000 0.818 86 A HN 0.532 nan 8.150 nan 0.000 0.443 87 N N 0.141 118.928 118.700 0.145 0.000 2.084 87 N HA -0.166 4.574 4.740 0.000 0.000 0.190 87 N C 1.965 177.563 175.510 0.147 0.000 1.030 87 N CA 1.440 54.577 53.050 0.143 0.000 0.849 87 N CB -0.198 38.390 38.487 0.168 0.000 1.012 87 N HN 0.398 nan 8.380 nan 0.000 0.423 88 A N 1.398 124.333 122.820 0.193 0.000 1.972 88 A HA -0.177 4.144 4.320 0.000 0.000 0.219 88 A C 2.010 179.722 177.584 0.214 0.000 1.169 88 A CA 0.984 53.140 52.037 0.197 0.000 0.635 88 A CB -1.224 17.947 19.000 0.285 0.000 0.810 88 A HN 0.737 nan 8.150 nan 0.000 0.446 89 W N 0.634 121.971 121.300 0.061 0.000 2.354 89 W HA -0.173 4.487 4.660 0.000 0.000 0.315 89 W C 1.433 177.978 176.519 0.044 0.000 1.206 89 W CA 1.714 59.092 57.345 0.054 0.000 1.290 89 W CB -0.317 29.168 29.460 0.042 0.000 1.152 89 W HN 0.295 nan 8.180 nan 0.000 0.489 90 L N 0.557 121.767 121.223 -0.022 0.000 2.291 90 L HA -0.136 4.204 4.340 0.000 0.000 0.214 90 L C 1.491 178.232 176.870 -0.216 0.000 1.120 90 L CA 1.039 55.789 54.840 -0.150 0.000 0.799 90 L CB -0.738 41.359 42.059 0.063 0.000 0.925 90 L HN -0.193 nan 8.230 nan 0.000 0.446 91 D N 0.220 120.540 120.400 -0.133 0.000 2.350 91 D HA 0.034 4.674 4.640 0.000 0.000 0.213 91 D C 0.278 176.498 176.300 -0.134 0.000 1.031 91 D CA 0.060 53.966 54.000 -0.157 0.000 0.861 91 D CB 0.156 40.907 40.800 -0.082 0.000 0.926 91 D HN 0.025 nan 8.370 nan 0.000 0.520 92 R N 0.161 120.586 120.500 -0.125 0.000 3.205 92 R HA -0.149 4.191 4.340 0.000 0.000 0.249 92 R C -0.219 176.064 176.300 -0.028 0.000 0.937 92 R CA 0.808 56.853 56.100 -0.091 0.000 0.641 92 R CB -2.554 27.672 30.300 -0.123 0.000 1.114 92 R HN 0.187 nan 8.270 nan 0.000 0.451 93 T N -0.526 114.041 114.554 0.020 0.000 2.807 93 T HA 0.578 4.928 4.350 0.000 0.000 0.279 93 T C -2.655 172.091 174.700 0.077 0.000 0.993 93 T CA -2.351 59.770 62.100 0.036 0.000 0.970 93 T CB 1.861 70.742 68.868 0.022 0.000 0.950 93 T HN -0.036 nan 8.240 nan 0.000 0.441 94 P HA 0.405 nan 4.420 nan 0.000 0.280 94 P C -1.047 176.290 177.300 0.061 0.000 1.386 94 P CA -0.378 62.767 63.100 0.075 0.000 0.899 94 P CB 0.616 32.349 31.700 0.055 0.000 1.098 95 V N 5.196 125.154 119.914 0.072 0.000 2.588 95 V HA 0.285 4.405 4.120 0.000 0.000 0.304 95 V C 0.231 176.308 176.094 -0.029 0.000 1.042 95 V CA -0.883 61.382 62.300 -0.058 0.000 0.877 95 V CB 2.727 34.405 31.823 -0.241 0.000 0.996 95 V HN 0.432 nan 8.190 nan 0.000 0.425 96 L N 5.087 126.264 121.223 -0.076 0.000 2.261 96 L HA 0.516 4.856 4.340 0.000 0.000 0.289 96 L C -1.146 175.653 176.870 -0.118 0.000 1.059 96 L CA -0.195 54.648 54.840 0.005 0.000 0.816 96 L CB 0.447 42.526 42.059 0.032 0.000 1.191 96 L HN 0.550 nan 8.230 nan 0.000 0.431 97 F N 5.727 125.721 119.950 0.073 0.000 2.390 97 F HA 0.329 4.856 4.527 0.001 0.000 0.361 97 F C 0.145 175.981 175.800 0.061 0.000 1.124 97 F CA -0.356 57.682 58.000 0.064 0.000 1.149 97 F CB 0.863 39.904 39.000 0.068 0.000 1.160 97 F HN 0.264 nan 8.300 nan 0.000 0.501 98 L N 3.585 124.912 121.223 0.174 0.000 2.272 98 L HA 0.496 4.837 4.340 0.000 0.000 0.289 98 L C 0.218 177.168 176.870 0.134 0.000 1.032 98 L CA -0.319 54.595 54.840 0.123 0.000 0.810 98 L CB 1.573 43.671 42.059 0.065 0.000 1.205 98 L HN 0.519 nan 8.230 nan 0.000 0.422 99 T N 2.009 116.629 114.554 0.110 0.000 2.876 99 T HA 0.649 5.000 4.350 0.000 0.000 0.289 99 T C 0.146 174.861 174.700 0.026 0.000 1.014 99 T CA -0.375 61.779 62.100 0.091 0.000 0.986 99 T CB 1.567 70.517 68.868 0.138 0.000 1.021 99 T HN 0.683 nan 8.240 nan 0.000 0.458 100 G N 1.893 110.695 108.800 0.004 0.000 2.562 100 G HA2 0.598 4.558 3.960 0.000 0.000 0.275 100 G HA3 0.598 4.558 3.960 0.000 0.000 0.275 100 G C -0.386 174.470 174.900 -0.072 0.000 1.196 100 G CA -0.008 45.079 45.100 -0.021 0.000 0.908 100 G HN 1.269 nan 8.290 nan 0.000 0.524 101 S N -1.752 113.928 115.700 -0.035 0.000 2.636 101 S HA 0.665 5.135 4.470 0.000 0.000 0.268 101 S C 0.008 174.657 174.600 0.082 0.000 1.159 101 S CA -0.218 57.948 58.200 -0.056 0.000 0.815 101 S CB 0.881 64.028 63.200 -0.089 0.000 1.130 101 S HN 1.517 nan 8.310 nan 0.000 0.471 102 G N 0.394 109.236 108.800 0.070 0.000 2.491 102 G HA2 0.505 4.465 3.960 0.000 0.000 0.238 102 G HA3 0.505 4.465 3.960 0.000 0.000 0.238 102 G C 0.514 175.526 174.900 0.187 0.000 1.277 102 G CA -0.151 45.059 45.100 0.184 0.000 0.851 102 G HN 1.439 nan 8.290 nan 0.000 0.573 103 A N 1.569 124.535 122.820 0.243 0.000 2.531 103 A HA 0.255 4.575 4.320 0.000 0.000 0.236 103 A C 1.599 179.221 177.584 0.063 0.000 1.062 103 A CA -0.242 51.878 52.037 0.138 0.000 0.760 103 A CB 0.187 19.225 19.000 0.064 0.000 0.995 103 A HN 0.729 nan 8.150 nan 0.000 0.501 104 L N 2.036 123.279 121.223 0.032 0.000 2.017 104 L HA -0.094 4.247 4.340 0.000 0.000 0.208 104 L C 1.896 178.765 176.870 -0.001 0.000 1.073 104 L CA 1.326 56.172 54.840 0.009 0.000 0.745 104 L CB -0.619 41.440 42.059 0.000 0.000 0.894 104 L HN 0.908 nan 8.230 nan 0.000 0.432 105 R N 1.371 121.863 120.500 -0.013 0.000 2.784 105 R HA -0.045 4.296 4.340 0.000 0.000 0.266 105 R C 0.284 176.576 176.300 -0.012 0.000 1.044 105 R CA 0.374 56.461 56.100 -0.022 0.000 1.151 105 R CB -0.213 30.062 30.300 -0.041 0.000 1.037 105 R HN 0.387 nan 8.270 nan 0.000 0.478 106 D N -1.835 118.558 120.400 -0.012 0.000 2.860 106 D HA -0.284 4.356 4.640 0.000 0.000 0.229 106 D C -0.652 175.657 176.300 0.016 0.000 1.169 106 D CA 1.607 55.608 54.000 0.001 0.000 0.737 106 D CB -1.490 39.310 40.800 -0.001 0.000 1.080 106 D HN 0.816 nan 8.370 nan 0.000 0.424 107 D N -0.016 120.391 120.400 0.011 0.000 2.548 107 D HA 0.212 4.852 4.640 0.000 0.000 0.231 107 D C 0.686 176.990 176.300 0.005 0.000 1.142 107 D CA 1.305 55.310 54.000 0.008 0.000 0.866 107 D CB 0.382 41.181 40.800 -0.002 0.000 1.190 107 D HN 0.370 nan 8.370 nan 0.000 0.469 108 E N 0.983 121.186 120.200 0.004 0.000 2.416 108 E HA -0.214 4.137 4.350 0.000 0.000 0.249 108 E C -0.037 176.566 176.600 0.005 0.000 1.124 108 E CA 1.302 57.703 56.400 0.001 0.000 0.732 108 E CB -1.561 28.137 29.700 -0.004 0.000 1.286 108 E HN 0.483 nan 8.360 nan 0.000 0.394 109 T N -2.772 111.789 114.554 0.012 0.000 3.182 109 T HA 0.221 4.572 4.350 0.000 0.000 0.277 109 T C 0.469 175.179 174.700 0.017 0.000 1.013 109 T CA 0.089 62.197 62.100 0.013 0.000 0.900 109 T CB 0.121 68.998 68.868 0.016 0.000 1.098 109 T HN 0.187 nan 8.240 nan 0.000 0.543 110 N N 1.216 119.925 118.700 0.016 0.000 2.727 110 N HA -0.128 4.613 4.740 0.000 0.000 0.249 110 N C -0.148 175.377 175.510 0.025 0.000 1.048 110 N CA 1.239 54.299 53.050 0.016 0.000 0.714 110 N CB -1.664 36.830 38.487 0.011 0.000 0.959 110 N HN 0.635 nan 8.380 nan 0.000 0.544 111 T N -0.333 114.244 114.554 0.038 0.000 2.923 111 T HA 0.519 4.869 4.350 0.000 0.000 0.281 111 T C 0.271 175.009 174.700 0.064 0.000 0.995 111 T CA -0.771 61.363 62.100 0.057 0.000 0.985 111 T CB 0.982 69.898 68.868 0.080 0.000 1.114 111 T HN 0.190 nan 8.240 nan 0.000 0.548 112 L N 2.917 124.191 121.223 0.085 0.000 2.628 112 L HA 0.114 4.455 4.340 0.000 0.000 0.274 112 L C 1.029 177.936 176.870 0.063 0.000 1.209 112 L CA 1.230 56.115 54.840 0.076 0.000 0.930 112 L CB -0.487 41.634 42.059 0.104 0.000 1.183 112 L HN 0.935 nan 8.230 nan 0.000 0.492 113 Q N 1.317 121.114 119.800 -0.005 0.000 2.348 113 Q HA -0.271 4.069 4.340 0.000 0.000 0.221 113 Q C 0.152 176.106 176.000 -0.076 0.000 0.735 113 Q CA 1.083 56.837 55.803 -0.081 0.000 1.351 113 Q CB -1.748 26.857 28.738 -0.223 0.000 1.640 113 Q HN 0.865 nan 8.270 nan 0.000 0.667 114 A N -0.760 122.053 122.820 -0.012 0.000 2.256 114 A HA 0.760 5.080 4.320 0.000 0.000 0.318 114 A C 1.321 178.894 177.584 -0.018 0.000 1.103 114 A CA 0.536 52.570 52.037 -0.006 0.000 0.860 114 A CB 1.050 20.075 19.000 0.041 0.000 1.182 114 A HN 0.820 nan 8.150 nan 0.000 0.501 115 G N -1.063 107.720 108.800 -0.027 0.000 2.195 115 G HA2 -0.114 3.846 3.960 0.000 0.000 0.224 115 G HA3 -0.114 3.846 3.960 0.000 0.000 0.224 115 G C 0.216 175.091 174.900 -0.040 0.000 0.990 115 G CA 0.131 45.215 45.100 -0.028 0.000 0.639 115 G HN 1.818 nan 8.290 nan 0.000 0.514 116 I N -0.492 120.045 120.570 -0.055 0.000 2.359 116 I HA 0.602 4.772 4.170 0.000 0.000 0.294 116 I C -0.816 175.234 176.117 -0.111 0.000 0.987 116 I CA -0.870 60.394 61.300 -0.060 0.000 1.225 116 I CB 1.553 39.538 38.000 -0.025 0.000 1.366 116 I HN -0.065 nan 8.210 nan 0.000 0.466 117 D N 6.076 126.415 120.400 -0.101 0.000 2.489 117 D HA 0.041 4.682 4.640 0.000 0.000 0.237 117 D C 1.124 177.300 176.300 -0.206 0.000 1.212 117 D CA 0.229 54.146 54.000 -0.138 0.000 1.058 117 D CB 0.539 41.280 40.800 -0.097 0.000 1.098 117 D HN 0.608 nan 8.370 nan 0.000 0.509 118 Q N 0.948 120.528 119.800 -0.367 0.000 2.124 118 Q HA -0.119 4.222 4.340 0.000 0.000 0.202 118 Q C 2.050 177.719 176.000 -0.552 0.000 0.977 118 Q CA 1.006 56.356 55.803 -0.756 0.000 0.850 118 Q CB 0.233 28.225 28.738 -1.242 0.000 0.901 118 Q HN 0.354 nan 8.270 nan 0.000 0.429 119 V N 1.139 120.830 119.914 -0.371 0.000 2.343 119 V HA -0.291 3.829 4.120 0.000 0.000 0.247 119 V C 2.304 178.297 176.094 -0.169 0.000 1.051 119 V CA 1.853 63.998 62.300 -0.259 0.000 1.036 119 V CB -0.984 30.684 31.823 -0.257 0.000 0.654 119 V HN 0.419 nan 8.190 nan 0.000 0.451 120 A N -0.686 122.049 122.820 -0.142 0.000 1.933 120 A HA -0.227 4.093 4.320 0.000 0.000 0.218 120 A C 2.248 179.794 177.584 -0.063 0.000 1.175 120 A CA 2.112 54.094 52.037 -0.092 0.000 0.628 120 A CB -0.478 18.477 19.000 -0.076 0.000 0.814 120 A HN 0.491 nan 8.150 nan 0.000 0.444 121 M N -0.758 118.824 119.600 -0.031 0.000 2.159 121 M HA -0.165 4.315 4.480 0.000 0.000 0.263 121 M C 2.336 178.652 176.300 0.025 0.000 1.063 121 M CA 1.580 56.905 55.300 0.041 0.000 1.110 121 M CB -0.328 32.385 32.600 0.188 0.000 1.374 121 M HN 0.495 nan 8.290 nan 0.000 0.411 122 A N -0.322 122.517 122.820 0.032 0.000 2.132 122 A HA 0.308 4.628 4.320 0.000 0.000 0.213 122 A C 2.282 179.777 177.584 -0.148 0.000 1.154 122 A CA 0.933 52.948 52.037 -0.036 0.000 0.753 122 A CB -0.512 18.508 19.000 0.033 0.000 0.826 122 A HN 0.431 nan 8.150 nan 0.000 0.469 123 A N 1.372 124.111 122.820 -0.134 0.000 1.903 123 A HA -0.118 4.203 4.320 0.000 0.000 0.219 123 A C 0.121 177.569 177.584 -0.228 0.000 1.191 123 A CA 2.087 54.034 52.037 -0.150 0.000 0.638 123 A CB -1.741 17.199 19.000 -0.100 0.000 0.823 123 A HN 0.464 nan 8.150 nan 0.000 0.451 124 P HA 0.014 nan 4.420 nan 0.000 0.234 124 P C 0.698 177.618 177.300 -0.634 0.000 1.167 124 P CA 0.840 63.764 63.100 -0.293 0.000 0.763 124 P CB -0.118 31.478 31.700 -0.173 0.000 0.835 125 I N -4.772 115.348 120.570 -0.750 0.000 3.621 125 I HA 0.349 4.519 4.170 0.000 0.000 0.325 125 I C -0.498 175.072 176.117 -0.911 0.000 1.554 125 I CA -0.539 60.041 61.300 -1.200 0.000 1.053 125 I CB 0.251 37.910 38.000 -0.567 0.000 1.302 125 I HN -0.250 nan 8.210 nan 0.000 0.518 126 T N -3.339 110.767 114.554 -0.746 0.000 2.906 126 T HA 0.467 4.818 4.350 0.000 0.000 0.295 126 T C 0.406 175.096 174.700 -0.017 0.000 1.075 126 T CA -0.784 61.195 62.100 -0.201 0.000 1.005 126 T CB 2.718 71.551 68.868 -0.058 0.000 1.136 126 T HN 0.092 nan 8.240 nan 0.000 0.498 127 K N -0.553 120.038 120.400 0.319 0.000 2.155 127 K HA 0.099 4.419 4.320 0.000 0.000 0.203 127 K C -0.187 176.627 176.600 0.357 0.000 1.052 127 K CA 0.872 57.383 56.287 0.373 0.000 0.948 127 K CB 0.133 32.842 32.500 0.347 0.000 0.728 127 K HN 0.629 nan 8.250 nan 0.000 0.448 128 W N -0.726 120.627 121.300 0.088 0.000 3.296 128 W HA 0.485 5.145 4.660 0.000 0.000 0.314 128 W C -2.139 174.419 176.519 0.066 0.000 1.238 128 W CA -0.868 56.516 57.345 0.066 0.000 1.193 128 W CB 1.513 31.013 29.460 0.065 0.000 1.383 128 W HN -0.148 nan 8.180 nan 0.000 0.545 129 A N 3.873 126.384 122.820 -0.516 0.000 2.465 129 A HA 0.669 4.989 4.320 0.000 0.000 0.292 129 A C -2.223 174.961 177.584 -0.667 0.000 1.041 129 A CA -0.383 51.350 52.037 -0.506 0.000 0.718 129 A CB 1.423 20.278 19.000 -0.242 0.000 1.266 129 A HN 0.876 nan 8.150 nan 0.000 0.403 130 H N 0.313 118.919 119.070 -0.775 0.000 3.064 130 H HA 0.665 5.222 4.556 0.000 0.000 0.352 130 H C -0.867 174.255 175.328 -0.344 0.000 1.260 130 H CA -0.420 55.259 56.048 -0.615 0.000 1.160 130 H CB 1.439 30.643 29.762 -0.928 0.000 1.879 130 H HN 0.743 nan 8.280 nan 0.000 0.544 131 R N 3.396 123.533 120.500 -0.605 0.000 2.387 131 R HA 0.488 4.828 4.340 0.000 0.000 0.314 131 R C -1.159 175.043 176.300 -0.163 0.000 0.958 131 R CA -0.834 55.077 56.100 -0.315 0.000 0.846 131 R CB 1.088 31.210 30.300 -0.296 0.000 1.147 131 R HN 0.387 nan 8.270 nan 0.000 0.447 132 V N 6.252 126.172 119.914 0.011 0.000 2.555 132 V HA 0.043 4.164 4.120 0.000 0.000 0.286 132 V C 1.130 177.274 176.094 0.084 0.000 1.044 132 V CA 0.072 62.446 62.300 0.124 0.000 1.026 132 V CB 1.474 33.374 31.823 0.129 0.000 0.981 132 V HN 0.864 nan 8.190 nan 0.000 0.480 133 M N 3.139 122.828 119.600 0.148 0.000 2.461 133 M HA 0.381 4.861 4.480 0.000 0.000 0.255 133 M C 0.502 176.810 176.300 0.014 0.000 1.137 133 M CA 0.485 55.840 55.300 0.091 0.000 1.086 133 M CB 0.434 33.118 32.600 0.140 0.000 1.356 133 M HN 0.728 nan 8.290 nan 0.000 0.487 134 A N -0.425 122.353 122.820 -0.068 0.000 2.488 134 A HA 0.549 4.870 4.320 0.000 0.000 0.298 134 A C 0.784 178.236 177.584 -0.220 0.000 1.044 134 A CA -0.457 51.421 52.037 -0.264 0.000 0.693 134 A CB 0.627 19.272 19.000 -0.592 0.000 1.272 134 A HN 0.177 nan 8.150 nan 0.000 0.402 135 T N 1.012 115.491 114.554 -0.125 0.000 2.699 135 T HA -0.167 4.183 4.350 0.000 0.000 0.268 135 T C 1.473 176.141 174.700 -0.053 0.000 1.036 135 T CA 2.486 64.552 62.100 -0.056 0.000 1.147 135 T CB -0.200 68.648 68.868 -0.033 0.000 0.862 135 T HN 0.781 nan 8.240 nan 0.000 0.446 136 E N 0.551 120.686 120.200 -0.109 0.000 2.219 136 E HA -0.134 4.216 4.350 0.000 0.000 0.198 136 E C 1.751 178.392 176.600 0.069 0.000 0.998 136 E CA 1.129 57.504 56.400 -0.042 0.000 0.818 136 E CB -0.388 29.279 29.700 -0.055 0.000 0.741 136 E HN 0.739 nan 8.360 nan 0.000 0.477 137 H N -0.976 118.121 119.070 0.045 0.000 2.548 137 H HA 0.151 4.707 4.556 0.000 0.000 0.268 137 H C 1.726 177.091 175.328 0.062 0.000 0.975 137 H CA -0.071 56.010 56.048 0.056 0.000 1.195 137 H CB 0.170 29.977 29.762 0.073 0.000 1.397 137 H HN 0.100 nan 8.280 nan 0.000 0.572 138 I N 1.373 122.035 120.570 0.154 0.000 2.118 138 I HA -0.228 3.942 4.170 0.000 0.000 0.241 138 I C -0.595 175.581 176.117 0.098 0.000 1.070 138 I CA 1.320 62.690 61.300 0.115 0.000 1.327 138 I CB -0.986 37.059 38.000 0.076 0.000 1.034 138 I HN 0.229 nan 8.210 nan 0.000 0.405 139 P HA -0.199 nan 4.420 nan 0.000 0.215 139 P C 1.307 178.643 177.300 0.061 0.000 1.157 139 P CA 1.644 64.778 63.100 0.058 0.000 0.868 139 P CB -0.239 31.488 31.700 0.044 0.000 0.788 140 R N -0.830 119.711 120.500 0.068 0.000 2.115 140 R HA -0.053 4.287 4.340 0.000 0.000 0.230 140 R C 1.701 178.036 176.300 0.057 0.000 1.111 140 R CA 1.295 57.423 56.100 0.047 0.000 0.976 140 R CB -1.400 28.918 30.300 0.029 0.000 0.870 140 R HN 0.096 nan 8.270 nan 0.000 0.445 141 L N 0.988 122.274 121.223 0.105 0.000 2.179 141 L HA 0.016 4.356 4.340 0.000 0.000 0.208 141 L C 2.387 179.370 176.870 0.189 0.000 1.096 141 L CA 0.807 55.747 54.840 0.166 0.000 0.779 141 L CB -0.386 41.805 42.059 0.221 0.000 0.922 141 L HN 0.026 nan 8.230 nan 0.000 0.443 142 V N -0.860 119.136 119.914 0.136 0.000 2.295 142 V HA -0.339 3.782 4.120 0.000 0.000 0.246 142 V C 2.534 178.687 176.094 0.099 0.000 1.049 142 V CA 1.818 64.188 62.300 0.117 0.000 1.024 142 V CB -0.459 31.410 31.823 0.077 0.000 0.648 142 V HN 0.356 nan 8.190 nan 0.000 0.447 143 M N -0.456 119.184 119.600 0.066 0.000 2.159 143 M HA -0.183 4.297 4.480 0.000 0.000 0.263 143 M C 2.183 178.498 176.300 0.026 0.000 1.063 143 M CA 1.773 57.096 55.300 0.038 0.000 1.110 143 M CB -0.608 32.004 32.600 0.019 0.000 1.374 143 M HN 0.373 nan 8.290 nan 0.000 0.411 144 Q N -0.830 118.980 119.800 0.018 0.000 2.050 144 Q HA -0.169 4.171 4.340 0.000 0.000 0.202 144 Q C 1.940 177.927 176.000 -0.021 0.000 0.980 144 Q CA 1.877 57.642 55.803 -0.064 0.000 0.840 144 Q CB -0.218 28.427 28.738 -0.155 0.000 0.898 144 Q HN 0.593 nan 8.270 nan 0.000 0.424 145 A N 0.716 123.640 122.820 0.174 0.000 1.908 145 A HA -0.202 4.119 4.320 0.000 0.000 0.218 145 A C 1.984 179.674 177.584 0.176 0.000 1.181 145 A CA 1.485 53.711 52.037 0.314 0.000 0.627 145 A CB -0.716 18.513 19.000 0.383 0.000 0.818 145 A HN 0.499 nan 8.150 nan 0.000 0.445 146 I N -0.987 119.650 120.570 0.112 0.000 2.226 146 I HA -0.267 3.903 4.170 0.000 0.000 0.245 146 I C 2.778 178.925 176.117 0.050 0.000 1.100 146 I CA 1.317 62.663 61.300 0.076 0.000 1.374 146 I CB -0.311 37.721 38.000 0.053 0.000 1.057 146 I HN 0.299 nan 8.210 nan 0.000 0.413 147 R N 0.662 121.174 120.500 0.021 0.000 2.091 147 R HA -0.160 4.180 4.340 0.000 0.000 0.238 147 R C 2.439 178.739 176.300 -0.000 0.000 1.136 147 R CA 1.517 57.614 56.100 -0.005 0.000 0.959 147 R CB -0.531 29.747 30.300 -0.037 0.000 0.856 147 R HN 0.376 nan 8.270 nan 0.000 0.437 148 A N 1.373 124.195 122.820 0.004 0.000 1.877 148 A HA -0.128 4.192 4.320 0.000 0.000 0.216 148 A C 2.402 180.040 177.584 0.089 0.000 1.186 148 A CA 1.742 53.799 52.037 0.033 0.000 0.620 148 A CB -0.645 18.390 19.000 0.057 0.000 0.822 148 A HN 0.402 nan 8.150 nan 0.000 0.443 149 A N -0.526 122.362 122.820 0.114 0.000 1.902 149 A HA 0.001 4.321 4.320 0.000 0.000 0.217 149 A C 2.083 179.713 177.584 0.078 0.000 1.181 149 A CA 1.490 53.599 52.037 0.119 0.000 0.623 149 A CB -0.505 18.570 19.000 0.125 0.000 0.818 149 A HN 0.466 nan 8.150 nan 0.000 0.443 150 L N 0.435 121.690 121.223 0.053 0.000 2.418 150 L HA 0.023 4.364 4.340 0.000 0.000 0.218 150 L C 1.284 178.166 176.870 0.020 0.000 1.125 150 L CA 0.365 55.224 54.840 0.033 0.000 0.835 150 L CB -0.232 41.840 42.059 0.022 0.000 0.953 150 L HN 0.495 nan 8.230 nan 0.000 0.454 151 S N -0.083 115.630 115.700 0.021 0.000 2.652 151 S HA 0.620 5.091 4.470 0.000 0.000 0.270 151 S C 0.108 174.717 174.600 0.014 0.000 1.243 151 S CA -0.766 57.441 58.200 0.011 0.000 0.999 151 S CB 1.842 65.044 63.200 0.004 0.000 0.973 151 S HN 0.093 nan 8.310 nan 0.000 0.544 152 A N 2.534 125.358 122.820 0.006 0.000 2.409 152 A HA 0.588 4.908 4.320 0.000 0.000 0.262 152 A C -2.052 175.534 177.584 0.004 0.000 1.113 152 A CA -1.405 50.633 52.037 0.002 0.000 0.790 152 A CB -0.688 18.310 19.000 -0.003 0.000 1.046 152 A HN 0.750 nan 8.150 nan 0.000 0.496 153 P HA 0.396 nan 4.420 nan 0.000 0.284 153 P C -0.459 176.841 177.300 0.000 0.000 1.253 153 P CA -0.557 62.532 63.100 -0.017 0.000 0.800 153 P CB 0.788 32.460 31.700 -0.046 0.000 0.961 154 R N 0.871 121.372 120.500 0.001 0.000 2.784 154 R HA 0.590 4.930 4.340 0.000 0.000 0.266 154 R C 1.050 177.378 176.300 0.046 0.000 1.044 154 R CA 1.061 57.177 56.100 0.028 0.000 1.151 154 R CB -0.284 30.028 30.300 0.019 0.000 1.037 154 R HN 0.875 nan 8.270 nan 0.000 0.478 155 G N 0.881 109.744 108.800 0.105 0.000 2.349 155 G HA2 0.352 4.313 3.960 0.000 0.000 0.294 155 G HA3 0.352 4.313 3.960 0.000 0.000 0.294 155 G C -3.052 171.993 174.900 0.243 0.000 1.380 155 G CA -0.999 44.207 45.100 0.176 0.000 0.811 155 G HN 0.438 nan 8.290 nan 0.000 0.519 156 P HA 0.604 nan 4.420 nan 0.000 0.281 156 P C -0.740 176.761 177.300 0.336 0.000 1.249 156 P CA -0.488 62.836 63.100 0.372 0.000 0.810 156 P CB 2.087 34.052 31.700 0.440 0.000 1.008 157 V N 2.814 122.937 119.914 0.349 0.000 2.876 157 V HA 0.401 4.522 4.120 0.000 0.000 0.312 157 V C -0.305 175.953 176.094 0.274 0.000 1.085 157 V CA -0.786 61.690 62.300 0.293 0.000 0.945 157 V CB 2.190 34.202 31.823 0.314 0.000 1.017 157 V HN 0.409 nan 8.190 nan 0.000 0.428 158 L N 4.518 125.820 121.223 0.131 0.000 2.325 158 L HA 0.619 4.959 4.340 0.000 0.000 0.281 158 L C -1.105 175.744 176.870 -0.035 0.000 1.004 158 L CA -0.067 54.825 54.840 0.087 0.000 0.823 158 L CB 1.255 43.330 42.059 0.027 0.000 1.236 158 L HN 0.591 nan 8.230 nan 0.000 0.415 159 L N 4.918 126.158 121.223 0.028 0.000 2.298 159 L HA 0.430 4.771 4.340 0.000 0.000 0.284 159 L C -1.034 175.826 176.870 -0.017 0.000 1.013 159 L CA -0.430 54.399 54.840 -0.018 0.000 0.824 159 L CB 1.483 43.577 42.059 0.058 0.000 1.221 159 L HN 0.640 nan 8.230 nan 0.000 0.418 160 D N 6.038 126.391 120.400 -0.078 0.000 2.317 160 D HA 0.311 4.951 4.640 0.000 0.000 0.234 160 D C -0.922 175.354 176.300 -0.041 0.000 1.112 160 D CA -0.256 53.691 54.000 -0.089 0.000 0.840 160 D CB 1.217 41.908 40.800 -0.183 0.000 1.078 160 D HN 0.348 nan 8.370 nan 0.000 0.486 161 L N 6.121 127.343 121.223 -0.003 0.000 2.337 161 L HA 0.360 4.701 4.340 0.000 0.000 0.269 161 L C -2.227 174.680 176.870 0.062 0.000 1.018 161 L CA -1.808 53.054 54.840 0.037 0.000 0.876 161 L CB 1.751 43.844 42.059 0.058 0.000 1.236 161 L HN 0.164 nan 8.230 nan 0.000 0.436 162 P HA -0.090 nan 4.420 nan 0.000 0.268 162 P C -0.040 177.386 177.300 0.211 0.000 1.205 162 P CA -0.230 62.939 63.100 0.115 0.000 0.771 162 P CB 0.581 32.324 31.700 0.071 0.000 0.858 163 W N 3.254 124.587 121.300 0.055 0.000 2.421 163 W HA -0.121 4.539 4.660 0.001 0.000 0.270 163 W C 1.345 177.860 176.519 -0.007 0.000 1.233 163 W CA 1.289 58.654 57.345 0.034 0.000 1.226 163 W CB -0.929 28.538 29.460 0.012 0.000 1.121 163 W HN 0.387 nan 8.180 nan 0.000 0.579 164 D N 0.214 120.678 120.400 0.106 0.000 2.103 164 D HA -0.223 4.418 4.640 0.000 0.000 0.190 164 D C 2.110 178.408 176.300 -0.004 0.000 0.997 164 D CA 2.013 55.996 54.000 -0.028 0.000 0.833 164 D CB -0.330 40.475 40.800 0.010 0.000 0.961 164 D HN -0.018 nan 8.370 nan 0.000 0.447 165 I N 0.403 120.998 120.570 0.041 0.000 2.394 165 I HA -0.159 4.011 4.170 0.000 0.000 0.251 165 I C 2.429 178.576 176.117 0.050 0.000 1.136 165 I CA 0.654 61.973 61.300 0.033 0.000 1.425 165 I CB -0.890 37.134 38.000 0.040 0.000 1.079 165 I HN 0.141 nan 8.210 nan 0.000 0.425 166 L N -0.780 120.501 121.223 0.097 0.000 2.095 166 L HA -0.074 4.266 4.340 0.000 0.000 0.204 166 L C 2.507 179.434 176.870 0.095 0.000 1.080 166 L CA 0.959 55.868 54.840 0.114 0.000 0.759 166 L CB -0.316 41.846 42.059 0.172 0.000 0.914 166 L HN 0.126 nan 8.230 nan 0.000 0.439 167 M N -0.778 118.865 119.600 0.072 0.000 2.419 167 M HA -0.069 4.412 4.480 0.000 0.000 0.264 167 M C 0.529 176.820 176.300 -0.015 0.000 1.082 167 M CA 0.336 55.646 55.300 0.017 0.000 1.119 167 M CB -0.435 32.112 32.600 -0.089 0.000 1.398 167 M HN 0.194 nan 8.290 nan 0.000 0.453 168 N N 1.675 120.363 118.700 -0.020 0.000 2.353 168 N HA -0.047 4.693 4.740 0.000 0.000 0.248 168 N C -0.638 174.867 175.510 -0.009 0.000 1.240 168 N CA 0.729 53.764 53.050 -0.025 0.000 0.862 168 N CB 0.502 38.974 38.487 -0.024 0.000 1.086 168 N HN 0.199 nan 8.380 nan 0.000 0.453 169 Q N 1.946 121.738 119.800 -0.013 0.000 2.312 169 Q HA 0.575 4.916 4.340 0.000 0.000 0.263 169 Q C -0.627 175.370 176.000 -0.005 0.000 0.995 169 Q CA -0.686 55.114 55.803 -0.004 0.000 0.853 169 Q CB 1.726 30.462 28.738 -0.004 0.000 1.300 169 Q HN 0.578 nan 8.270 nan 0.000 0.448 170 I N -2.505 118.066 120.570 0.001 0.000 3.145 170 I HA 0.548 4.718 4.170 0.000 0.000 0.313 170 I C -0.760 175.360 176.117 0.006 0.000 1.122 170 I CA -1.272 60.028 61.300 -0.000 0.000 0.987 170 I CB 2.013 40.011 38.000 -0.002 0.000 1.236 170 I HN 0.338 nan 8.210 nan 0.000 0.453 171 D N 2.603 123.006 120.400 0.005 0.000 2.358 171 D HA 0.011 4.651 4.640 0.000 0.000 0.258 171 D C 1.166 177.473 176.300 0.012 0.000 1.223 171 D CA 0.113 54.118 54.000 0.008 0.000 0.886 171 D CB 1.062 41.866 40.800 0.006 0.000 1.120 171 D HN 0.753 nan 8.370 nan 0.000 0.482 172 E N 2.508 122.717 120.200 0.015 0.000 2.209 172 E HA -0.230 4.120 4.350 0.000 0.000 0.196 172 E C 0.309 176.920 176.600 0.017 0.000 0.993 172 E CA 0.890 57.301 56.400 0.019 0.000 0.819 172 E CB 0.048 29.762 29.700 0.024 0.000 0.745 172 E HN 0.388 nan 8.360 nan 0.000 0.477 173 D N 1.013 121.422 120.400 0.015 0.000 2.363 173 D HA -0.057 4.583 4.640 0.000 0.000 0.220 173 D C 1.613 177.921 176.300 0.013 0.000 0.994 173 D CA 1.208 55.216 54.000 0.013 0.000 0.890 173 D CB 0.285 41.092 40.800 0.011 0.000 0.906 173 D HN 0.349 nan 8.370 nan 0.000 0.530 174 S N -0.684 115.024 115.700 0.014 0.000 2.540 174 S HA 0.150 4.620 4.470 0.000 0.000 0.218 174 S C 0.436 175.047 174.600 0.018 0.000 0.977 174 S CA -0.507 57.701 58.200 0.014 0.000 0.918 174 S CB 0.665 63.872 63.200 0.011 0.000 0.806 174 S HN 0.012 nan 8.310 nan 0.000 0.496 175 V N 2.032 121.958 119.914 0.020 0.000 2.686 175 V HA 0.724 4.844 4.120 0.000 0.000 0.306 175 V C -0.832 175.277 176.094 0.025 0.000 1.065 175 V CA -1.360 60.956 62.300 0.026 0.000 0.894 175 V CB 1.675 33.516 31.823 0.030 0.000 1.004 175 V HN 0.492 nan 8.190 nan 0.000 0.424 176 I N 6.072 126.657 120.570 0.025 0.000 2.440 176 I HA 0.646 4.816 4.170 0.000 0.000 0.294 176 I C -0.657 175.472 176.117 0.021 0.000 0.995 176 I CA 0.108 61.421 61.300 0.021 0.000 1.306 176 I CB 1.379 39.390 38.000 0.018 0.000 1.407 176 I HN 0.568 nan 8.210 nan 0.000 0.501 177 I N 8.383 128.963 120.570 0.016 0.000 2.304 177 I HA 0.437 4.607 4.170 0.000 0.000 0.291 177 I C -1.997 174.126 176.117 0.009 0.000 1.018 177 I CA -1.583 59.724 61.300 0.013 0.000 1.260 177 I CB 0.529 38.533 38.000 0.006 0.000 1.390 177 I HN 0.559 nan 8.210 nan 0.000 0.475 178 P HA 0.224 nan 4.420 nan 0.000 0.276 178 P C -0.756 176.546 177.300 0.002 0.000 1.244 178 P CA -0.520 62.584 63.100 0.005 0.000 0.801 178 P CB 0.711 32.414 31.700 0.005 0.000 1.006 179 D N 0.321 120.721 120.400 -0.000 0.000 2.360 179 D HA 0.110 4.750 4.640 0.000 0.000 0.242 179 D C -0.075 176.223 176.300 -0.004 0.000 1.184 179 D CA -0.002 53.996 54.000 -0.002 0.000 0.930 179 D CB 0.613 41.411 40.800 -0.003 0.000 1.161 179 D HN 0.178 nan 8.370 nan 0.000 0.447 180 L N 1.877 123.097 121.223 -0.005 0.000 2.312 180 L HA 0.176 4.516 4.340 0.000 0.000 0.287 180 L C -0.924 175.940 176.870 -0.010 0.000 1.091 180 L CA -0.210 54.626 54.840 -0.007 0.000 0.846 180 L CB 0.419 42.475 42.059 -0.005 0.000 1.219 180 L HN 0.020 nan 8.230 nan 0.000 0.439 181 V N 6.998 126.905 119.914 -0.012 0.000 2.284 181 V HA 0.519 4.639 4.120 0.000 0.000 0.274 181 V C -0.570 175.514 176.094 -0.016 0.000 1.023 181 V CA -0.472 61.821 62.300 -0.013 0.000 0.808 181 V CB 1.016 32.833 31.823 -0.010 0.000 1.035 181 V HN 0.639 nan 8.190 nan 0.000 0.445 182 L N 4.064 125.276 121.223 -0.019 0.000 2.614 182 L HA 0.538 4.878 4.340 0.000 0.000 0.264 182 L C -0.026 176.825 176.870 -0.031 0.000 0.940 182 L CA 0.152 54.980 54.840 -0.021 0.000 0.903 182 L CB 2.226 44.272 42.059 -0.022 0.000 1.306 182 L HN 0.525 nan 8.230 nan 0.000 0.410 183 S N 3.260 118.946 115.700 -0.023 0.000 2.558 183 S HA 0.367 4.837 4.470 0.000 0.000 0.293 183 S C 1.396 175.937 174.600 -0.097 0.000 1.292 183 S CA 0.423 58.599 58.200 -0.039 0.000 1.063 183 S CB 0.992 64.208 63.200 0.027 0.000 0.831 183 S HN 1.015 nan 8.310 nan 0.000 0.499 184 A N 4.745 127.425 122.820 -0.233 0.000 2.208 184 A HA 0.150 4.471 4.320 0.000 0.000 0.209 184 A C 0.595 178.004 177.584 -0.293 0.000 1.161 184 A CA 0.332 52.202 52.037 -0.278 0.000 0.782 184 A CB -0.297 18.504 19.000 -0.331 0.000 0.816 184 A HN 0.916 nan 8.150 nan 0.000 0.477 185 H N 0.022 119.087 119.070 -0.008 0.000 2.488 185 H HA 0.437 4.993 4.556 0.000 0.000 0.322 185 H C 0.648 175.968 175.328 -0.012 0.000 1.078 185 H CA -0.194 55.847 56.048 -0.011 0.000 1.260 185 H CB 1.017 30.772 29.762 -0.011 0.000 1.425 185 H HN 0.220 nan 8.280 nan 0.000 0.471 186 G N 1.131 109.987 108.800 0.093 0.000 2.539 186 G HA2 0.386 4.347 3.960 0.000 0.000 0.258 186 G HA3 0.386 4.347 3.960 0.000 0.000 0.258 186 G C 0.076 174.999 174.900 0.038 0.000 1.202 186 G CA -0.283 44.844 45.100 0.045 0.000 0.851 186 G HN 0.784 nan 8.290 nan 0.000 0.556 187 A N 0.913 123.745 122.820 0.020 0.000 2.425 187 A HA 0.606 4.926 4.320 0.000 0.000 0.242 187 A C 0.839 178.422 177.584 -0.002 0.000 1.077 187 A CA -0.138 51.904 52.037 0.009 0.000 0.781 187 A CB 0.257 19.260 19.000 0.005 0.000 1.020 187 A HN 0.968 nan 8.150 nan 0.000 0.494 188 R N 1.159 121.653 120.500 -0.009 0.000 2.892 188 R HA 0.727 5.067 4.340 0.000 0.000 0.265 188 R C -3.006 173.284 176.300 -0.018 0.000 1.025 188 R CA -1.838 54.251 56.100 -0.019 0.000 0.982 188 R CB 0.028 30.311 30.300 -0.029 0.000 1.185 188 R HN 0.401 nan 8.270 nan 0.000 0.484 189 P HA -0.040 nan 4.420 nan 0.000 0.270 189 P C -0.852 176.442 177.300 -0.011 0.000 1.223 189 P CA -0.174 62.917 63.100 -0.015 0.000 0.785 189 P CB 0.396 32.086 31.700 -0.018 0.000 0.923 190 D N 2.242 122.639 120.400 -0.005 0.000 2.488 190 D HA -0.035 4.605 4.640 0.000 0.000 0.238 190 D C -1.192 175.107 176.300 -0.002 0.000 1.138 190 D CA -1.223 52.775 54.000 -0.003 0.000 0.873 190 D CB 0.730 41.531 40.800 0.000 0.000 1.183 190 D HN 0.157 nan 8.370 nan 0.000 0.458 191 P HA -0.162 nan 4.420 nan 0.000 0.218 191 P C 0.935 178.239 177.300 0.007 0.000 1.146 191 P CA 1.135 64.236 63.100 0.002 0.000 0.813 191 P CB 0.087 31.788 31.700 0.002 0.000 0.778 192 A N 0.262 123.086 122.820 0.007 0.000 1.930 192 A HA -0.164 4.156 4.320 0.000 0.000 0.217 192 A C 2.028 179.620 177.584 0.013 0.000 1.175 192 A CA 1.736 53.779 52.037 0.009 0.000 0.627 192 A CB -1.055 17.949 19.000 0.007 0.000 0.815 192 A HN 0.069 nan 8.150 nan 0.000 0.443 193 D N -0.454 119.952 120.400 0.011 0.000 2.149 193 D HA -0.087 4.553 4.640 0.000 0.000 0.201 193 D C 1.834 178.145 176.300 0.018 0.000 0.972 193 D CA 0.897 54.905 54.000 0.014 0.000 0.835 193 D CB -0.276 40.530 40.800 0.010 0.000 0.966 193 D HN 0.337 nan 8.370 nan 0.000 0.476 194 L N 1.193 122.424 121.223 0.014 0.000 2.017 194 L HA -0.152 4.189 4.340 0.000 0.000 0.208 194 L C 1.562 178.457 176.870 0.042 0.000 1.073 194 L CA 1.639 56.490 54.840 0.018 0.000 0.745 194 L CB -0.274 41.787 42.059 0.004 0.000 0.894 194 L HN -0.164 nan 8.230 nan 0.000 0.432 195 D N -0.971 119.451 120.400 0.036 0.000 2.123 195 D HA -0.254 4.386 4.640 0.000 0.000 0.196 195 D C 2.045 178.372 176.300 0.046 0.000 0.992 195 D CA 1.222 55.247 54.000 0.042 0.000 0.833 195 D CB -0.065 40.750 40.800 0.025 0.000 0.954 195 D HN 0.495 nan 8.370 nan 0.000 0.455 196 Q N 0.135 119.957 119.800 0.038 0.000 2.046 196 Q HA -0.118 4.222 4.340 0.000 0.000 0.200 196 Q C 2.098 178.132 176.000 0.056 0.000 0.975 196 Q CA 1.422 57.248 55.803 0.038 0.000 0.836 196 Q CB -0.041 28.715 28.738 0.029 0.000 0.896 196 Q HN 0.202 nan 8.270 nan 0.000 0.428 197 A N 0.819 123.676 122.820 0.063 0.000 1.883 197 A HA -0.199 4.122 4.320 0.000 0.000 0.217 197 A C 2.033 179.700 177.584 0.139 0.000 1.186 197 A CA 1.406 53.494 52.037 0.085 0.000 0.624 197 A CB -0.806 18.235 19.000 0.068 0.000 0.822 197 A HN 0.448 nan 8.150 nan 0.000 0.444 198 L N -1.051 120.269 121.223 0.163 0.000 2.141 198 L HA -0.141 4.199 4.340 0.000 0.000 0.209 198 L C 3.031 180.022 176.870 0.202 0.000 1.094 198 L CA 0.857 55.862 54.840 0.275 0.000 0.763 198 L CB -0.460 41.775 42.059 0.295 0.000 0.908 198 L HN 0.449 nan 8.230 nan 0.000 0.437 199 A N 0.023 122.900 122.820 0.095 0.000 1.930 199 A HA -0.114 4.207 4.320 0.000 0.000 0.217 199 A C 2.243 179.857 177.584 0.051 0.000 1.175 199 A CA 1.144 53.201 52.037 0.033 0.000 0.627 199 A CB -0.511 18.496 19.000 0.012 0.000 0.815 199 A HN 0.328 nan 8.150 nan 0.000 0.443 200 L N -1.208 120.062 121.223 0.077 0.000 2.056 200 L HA -0.152 4.189 4.340 0.000 0.000 0.207 200 L C 2.508 179.444 176.870 0.109 0.000 1.078 200 L CA 1.004 55.889 54.840 0.075 0.000 0.749 200 L CB -0.437 41.664 42.059 0.070 0.000 0.901 200 L HN 0.409 nan 8.230 nan 0.000 0.433 201 L N 0.078 121.409 121.223 0.180 0.000 2.083 201 L HA -0.213 4.128 4.340 0.000 0.000 0.209 201 L C 2.728 179.789 176.870 0.318 0.000 1.083 201 L CA 1.653 56.646 54.840 0.256 0.000 0.752 201 L CB -0.526 41.745 42.059 0.354 0.000 0.899 201 L HN 0.143 nan 8.230 nan 0.000 0.433 202 R N 0.174 120.833 120.500 0.266 0.000 2.115 202 R HA -0.170 4.170 4.340 0.000 0.000 0.230 202 R C 1.921 178.247 176.300 0.044 0.000 1.111 202 R CA 1.594 57.750 56.100 0.093 0.000 0.976 202 R CB -0.071 30.072 30.300 -0.262 0.000 0.870 202 R HN 0.516 nan 8.270 nan 0.000 0.445 203 K N -0.592 119.829 120.400 0.035 0.000 2.358 203 K HA 0.288 4.608 4.320 0.000 0.000 0.197 203 K C -0.130 176.475 176.600 0.008 0.000 1.025 203 K CA 0.111 56.403 56.287 0.008 0.000 1.104 203 K CB 0.741 33.235 32.500 -0.009 0.000 0.855 203 K HN 0.078 nan 8.250 nan 0.000 0.531 204 A N 1.501 124.337 122.820 0.026 0.000 2.371 204 A HA 0.142 4.463 4.320 0.000 0.000 0.257 204 A C 0.323 177.872 177.584 -0.059 0.000 1.089 204 A CA -0.436 51.593 52.037 -0.013 0.000 0.794 204 A CB 0.480 19.483 19.000 0.005 0.000 1.029 204 A HN 0.461 nan 8.150 nan 0.000 0.488 205 E N 0.360 120.481 120.200 -0.131 0.000 2.307 205 E HA 0.043 4.394 4.350 0.000 0.000 0.195 205 E C 0.091 176.426 176.600 -0.441 0.000 0.975 205 E CA 0.462 56.743 56.400 -0.198 0.000 0.878 205 E CB 0.292 29.893 29.700 -0.165 0.000 0.845 205 E HN 0.630 nan 8.360 nan 0.000 0.488 206 R N 1.301 121.458 120.500 -0.571 0.000 2.674 206 R HA 0.212 4.552 4.340 0.000 0.000 0.270 206 R C -2.672 173.323 176.300 -0.509 0.000 1.492 206 R CA -1.312 54.053 56.100 -1.225 0.000 1.624 206 R CB 1.320 30.745 30.300 -1.457 0.000 1.307 206 R HN 0.053 nan 8.270 nan 0.000 0.683 207 P HA 0.250 nan 4.420 nan 0.000 0.276 207 P C -0.385 177.132 177.300 0.362 0.000 1.244 207 P CA -0.304 62.866 63.100 0.117 0.000 0.801 207 P CB 1.827 33.593 31.700 0.110 0.000 1.006 208 V N 2.382 122.448 119.914 0.254 0.000 3.012 208 V HA 0.404 4.524 4.120 0.000 0.000 0.307 208 V C -0.184 176.017 176.094 0.179 0.000 1.166 208 V CA -0.670 61.797 62.300 0.278 0.000 0.974 208 V CB 2.372 34.335 31.823 0.233 0.000 1.040 208 V HN 0.375 nan 8.190 nan 0.000 0.428 209 I N 3.491 124.182 120.570 0.202 0.000 2.474 209 I HA 0.654 4.824 4.170 0.000 0.000 0.294 209 I C -0.979 175.233 176.117 0.159 0.000 1.005 209 I CA -0.934 60.454 61.300 0.148 0.000 1.113 209 I CB 2.171 40.251 38.000 0.133 0.000 1.289 209 I HN 0.236 nan 8.210 nan 0.000 0.436 210 V N 6.732 126.694 119.914 0.079 0.000 2.483 210 V HA 0.448 4.569 4.120 0.000 0.000 0.297 210 V C -0.170 175.934 176.094 0.016 0.000 1.027 210 V CA -0.554 61.775 62.300 0.048 0.000 0.855 210 V CB 1.699 33.499 31.823 -0.038 0.000 0.995 210 V HN 0.467 nan 8.190 nan 0.000 0.424 211 L N 3.874 125.112 121.223 0.025 0.000 2.334 211 L HA 0.920 5.260 4.340 0.000 0.000 0.275 211 L C 0.841 177.702 176.870 -0.015 0.000 1.036 211 L CA -0.153 54.690 54.840 0.006 0.000 0.807 211 L CB 1.663 43.733 42.059 0.018 0.000 1.231 211 L HN 0.764 nan 8.230 nan 0.000 0.438 212 G N -0.523 108.259 108.800 -0.029 0.000 3.211 212 G HA2 0.351 4.312 3.960 0.000 0.000 0.262 212 G HA3 0.351 4.312 3.960 0.000 0.000 0.262 212 G C 0.661 175.537 174.900 -0.039 0.000 1.352 212 G CA 0.311 45.385 45.100 -0.044 0.000 1.004 212 G HN 0.623 nan 8.290 nan 0.000 0.559 213 S N -0.572 115.093 115.700 -0.059 0.000 2.370 213 S HA -0.146 4.325 4.470 0.000 0.000 0.226 213 S C 1.654 176.229 174.600 -0.042 0.000 1.033 213 S CA 1.980 60.147 58.200 -0.054 0.000 1.011 213 S CB -0.361 62.789 63.200 -0.084 0.000 0.852 213 S HN 0.505 nan 8.310 nan 0.000 0.457 214 E N 1.874 122.047 120.200 -0.044 0.000 2.209 214 E HA -0.081 4.269 4.350 0.000 0.000 0.196 214 E C 2.337 178.923 176.600 -0.024 0.000 0.993 214 E CA 1.103 57.483 56.400 -0.033 0.000 0.819 214 E CB -0.648 29.032 29.700 -0.034 0.000 0.745 214 E HN 0.747 nan 8.360 nan 0.000 0.477 215 A N 0.727 123.534 122.820 -0.021 0.000 1.930 215 A HA -0.118 4.202 4.320 0.000 0.000 0.217 215 A C 2.486 180.064 177.584 -0.010 0.000 1.175 215 A CA 1.532 53.561 52.037 -0.013 0.000 0.627 215 A CB -0.335 18.661 19.000 -0.006 0.000 0.815 215 A HN 0.145 nan 8.150 nan 0.000 0.443 216 S N -0.646 115.047 115.700 -0.011 0.000 2.387 216 S HA -0.085 4.385 4.470 0.000 0.000 0.226 216 S C 2.138 176.728 174.600 -0.017 0.000 1.026 216 S CA 0.779 58.973 58.200 -0.011 0.000 0.972 216 S CB -0.239 62.955 63.200 -0.009 0.000 0.814 216 S HN 0.494 nan 8.310 nan 0.000 0.477 217 R N 1.167 121.655 120.500 -0.020 0.000 2.096 217 R HA -0.036 4.304 4.340 0.000 0.000 0.235 217 R C 2.399 178.688 176.300 -0.017 0.000 1.127 217 R CA 1.797 57.885 56.100 -0.019 0.000 0.968 217 R CB -1.576 28.713 30.300 -0.018 0.000 0.861 217 R HN 0.643 nan 8.270 nan 0.000 0.440 218 T N -2.951 111.594 114.554 -0.015 0.000 3.037 218 T HA 0.376 4.727 4.350 0.000 0.000 0.252 218 T C 0.950 175.644 174.700 -0.010 0.000 1.073 218 T CA 0.431 62.524 62.100 -0.013 0.000 1.091 218 T CB 0.256 69.119 68.868 -0.009 0.000 0.935 218 T HN 0.256 nan 8.240 nan 0.000 0.488 219 A N 2.273 125.087 122.820 -0.010 0.000 2.610 219 A HA -0.166 4.154 4.320 0.000 0.000 0.299 219 A C 0.639 178.222 177.584 -0.002 0.000 1.487 219 A CA 0.318 52.350 52.037 -0.008 0.000 0.743 219 A CB -1.965 17.027 19.000 -0.013 0.000 1.070 219 A HN 0.530 nan 8.150 nan 0.000 0.439 220 R N -0.032 120.469 120.500 0.001 0.000 4.164 220 R HA 0.141 4.481 4.340 0.000 0.000 0.195 220 R C 1.134 177.439 176.300 0.009 0.000 1.712 220 R CA 0.280 56.383 56.100 0.006 0.000 1.457 220 R CB -0.069 30.234 30.300 0.005 0.000 1.387 220 R HN 0.716 nan 8.270 nan 0.000 0.785 221 K N 0.087 120.491 120.400 0.006 0.000 2.025 221 K HA -0.132 4.189 4.320 0.000 0.000 0.207 221 K C 2.163 178.769 176.600 0.010 0.000 1.049 221 K CA 2.066 58.357 56.287 0.006 0.000 0.933 221 K CB -0.024 32.476 32.500 -0.000 0.000 0.714 221 K HN 0.365 nan 8.250 nan 0.000 0.438 222 T N -0.449 114.110 114.554 0.010 0.000 2.867 222 T HA -0.048 4.302 4.350 0.000 0.000 0.268 222 T C 2.024 176.736 174.700 0.020 0.000 1.057 222 T CA 1.117 63.224 62.100 0.011 0.000 1.136 222 T CB -0.160 68.713 68.868 0.009 0.000 0.874 222 T HN 0.169 nan 8.240 nan 0.000 0.466 223 A N 1.416 124.249 122.820 0.022 0.000 1.873 223 A HA 0.185 4.505 4.320 0.000 0.000 0.215 223 A C 2.325 179.945 177.584 0.061 0.000 1.186 223 A CA 1.518 53.573 52.037 0.029 0.000 0.616 223 A CB -1.001 18.004 19.000 0.008 0.000 0.823 223 A HN 0.523 nan 8.150 nan 0.000 0.442 224 L N -0.329 120.929 121.223 0.058 0.000 2.079 224 L HA -0.117 4.224 4.340 0.000 0.000 0.210 224 L C 2.537 179.460 176.870 0.089 0.000 1.081 224 L CA 2.458 57.357 54.840 0.099 0.000 0.752 224 L CB -0.659 41.436 42.059 0.061 0.000 0.896 224 L HN 0.301 nan 8.230 nan 0.000 0.433 225 S N -1.014 114.710 115.700 0.039 0.000 2.368 225 S HA -0.135 4.335 4.470 0.000 0.000 0.225 225 S C 2.074 176.677 174.600 0.005 0.000 1.030 225 S CA 1.118 59.322 58.200 0.007 0.000 0.999 225 S CB -0.389 62.810 63.200 -0.002 0.000 0.844 225 S HN 0.682 nan 8.310 nan 0.000 0.459 226 A N 0.186 123.026 122.820 0.034 0.000 1.930 226 A HA -0.007 4.313 4.320 0.000 0.000 0.217 226 A C 1.940 179.552 177.584 0.047 0.000 1.175 226 A CA 1.324 53.380 52.037 0.032 0.000 0.627 226 A CB -0.873 18.153 19.000 0.043 0.000 0.815 226 A HN 0.659 nan 8.150 nan 0.000 0.443 227 F N 0.551 120.453 119.950 -0.081 0.000 2.102 227 F HA -0.164 4.363 4.527 0.000 0.000 0.298 227 F C 2.159 177.859 175.800 -0.166 0.000 1.105 227 F CA 1.916 59.843 58.000 -0.123 0.000 1.239 227 F CB -0.052 38.889 39.000 -0.099 0.000 0.991 227 F HN 0.041 nan 8.300 nan 0.000 0.474 228 V N 0.748 120.466 119.914 -0.327 0.000 2.407 228 V HA -0.300 3.820 4.120 0.000 0.000 0.248 228 V C 2.704 178.612 176.094 -0.311 0.000 1.055 228 V CA 1.715 63.769 62.300 -0.410 0.000 1.049 228 V CB -1.443 30.253 31.823 -0.212 0.000 0.662 228 V HN 0.513 nan 8.190 nan 0.000 0.455 229 A N -0.227 122.479 122.820 -0.192 0.000 2.015 229 A HA -0.002 4.318 4.320 0.000 0.000 0.219 229 A C 2.314 179.806 177.584 -0.154 0.000 1.163 229 A CA 1.851 53.806 52.037 -0.138 0.000 0.646 229 A CB -0.483 18.472 19.000 -0.076 0.000 0.806 229 A HN 0.563 nan 8.150 nan 0.000 0.448 230 A N -0.768 121.925 122.820 -0.212 0.000 2.021 230 A HA 0.088 4.408 4.320 0.000 0.000 0.216 230 A C 2.242 179.576 177.584 -0.416 0.000 1.163 230 A CA 1.940 53.847 52.037 -0.217 0.000 0.676 230 A CB -0.633 18.274 19.000 -0.155 0.000 0.818 230 A HN 0.673 nan 8.150 nan 0.000 0.453 231 T N -5.142 109.031 114.554 -0.635 0.000 3.015 231 T HA 0.385 4.735 4.350 0.000 0.000 0.250 231 T C 1.451 175.943 174.700 -0.347 0.000 1.057 231 T CA 1.143 62.772 62.100 -0.786 0.000 1.066 231 T CB -0.030 68.118 68.868 -1.201 0.000 0.959 231 T HN 1.584 nan 8.240 nan 0.000 0.488 232 G N 1.289 109.923 108.800 -0.277 0.000 2.225 232 G HA2 -0.211 3.749 3.960 0.000 0.000 0.267 232 G HA3 -0.211 3.749 3.960 0.000 0.000 0.267 232 G C 0.022 174.863 174.900 -0.098 0.000 1.024 232 G CA 0.176 45.193 45.100 -0.140 0.000 0.784 232 G HN 0.732 nan 8.290 nan 0.000 0.507 233 V N 2.391 122.197 119.914 -0.180 0.000 2.432 233 V HA 0.425 4.545 4.120 0.000 0.000 0.275 233 V C -1.105 174.947 176.094 -0.070 0.000 1.043 233 V CA -1.432 60.826 62.300 -0.070 0.000 0.925 233 V CB 1.457 33.206 31.823 -0.122 0.000 0.985 233 V HN 0.245 nan 8.190 nan 0.000 0.466 234 P HA 0.242 nan 4.420 nan 0.000 0.271 234 P C -0.926 176.339 177.300 -0.058 0.000 1.218 234 P CA -0.057 62.983 63.100 -0.101 0.000 0.780 234 P CB 1.059 32.657 31.700 -0.171 0.000 0.901 235 V N 3.161 122.960 119.914 -0.191 0.000 2.540 235 V HA 0.470 4.590 4.120 0.000 0.000 0.302 235 V C -0.034 175.890 176.094 -0.283 0.000 1.035 235 V CA -0.400 61.838 62.300 -0.104 0.000 0.873 235 V CB 0.989 32.769 31.823 -0.073 0.000 0.992 235 V HN 0.387 nan 8.190 nan 0.000 0.428 236 F N 1.670 121.589 119.950 -0.051 0.000 2.594 236 F HA 0.940 5.467 4.527 0.001 0.000 0.335 236 F C 0.446 176.217 175.800 -0.048 0.000 1.058 236 F CA -0.634 57.331 58.000 -0.057 0.000 0.981 236 F CB 2.082 41.033 39.000 -0.081 0.000 1.289 236 F HN 0.671 nan 8.300 nan 0.000 0.490 237 A N 0.365 123.277 122.820 0.154 0.000 2.606 237 A HA 0.575 4.896 4.320 0.000 0.000 0.293 237 A C -1.665 175.938 177.584 0.031 0.000 1.082 237 A CA -0.854 51.223 52.037 0.067 0.000 0.685 237 A CB 1.138 20.165 19.000 0.047 0.000 1.284 237 A HN 0.686 nan 8.150 nan 0.000 0.408 238 D N -0.166 120.224 120.400 -0.017 0.000 2.414 238 D HA 0.255 4.895 4.640 0.000 0.000 0.251 238 D C 0.754 177.068 176.300 0.024 0.000 1.252 238 D CA -0.175 53.769 54.000 -0.093 0.000 0.999 238 D CB -0.032 40.691 40.800 -0.130 0.000 1.093 238 D HN 0.426 nan 8.370 nan 0.000 0.515 239 Y N -0.777 119.598 120.300 0.125 0.000 2.069 239 Y HA -0.181 4.369 4.550 0.000 0.000 0.278 239 Y C 2.436 178.442 175.900 0.176 0.000 1.175 239 Y CA 1.941 60.177 58.100 0.226 0.000 1.134 239 Y CB -0.998 37.553 38.460 0.152 0.000 0.965 239 Y HN 0.526 nan 8.280 nan 0.000 0.498 240 E N -0.318 120.001 120.200 0.199 0.000 2.268 240 E HA -0.050 4.300 4.350 0.000 0.000 0.195 240 E C 2.329 178.974 176.600 0.074 0.000 0.995 240 E CA 1.073 57.524 56.400 0.085 0.000 0.836 240 E CB -0.544 29.155 29.700 -0.001 0.000 0.763 240 E HN 0.419 nan 8.360 nan 0.000 0.491 241 G N -0.224 108.620 108.800 0.073 0.000 2.939 241 G HA2 -0.091 3.869 3.960 0.000 0.000 0.210 241 G HA3 -0.091 3.869 3.960 0.000 0.000 0.210 241 G C 1.295 176.235 174.900 0.066 0.000 1.160 241 G CA 0.272 45.402 45.100 0.049 0.000 0.770 241 G HN 0.291 nan 8.290 nan 0.000 0.543 242 L N 2.274 123.568 121.223 0.118 0.000 2.013 242 L HA -0.126 4.214 4.340 0.000 0.000 0.212 242 L C 2.979 179.877 176.870 0.046 0.000 1.073 242 L CA 2.647 57.537 54.840 0.084 0.000 0.753 242 L CB -0.651 41.468 42.059 0.100 0.000 0.890 242 L HN 0.286 nan 8.230 nan 0.000 0.432 243 S N -1.770 113.976 115.700 0.076 0.000 2.474 243 S HA -0.166 4.305 4.470 0.000 0.000 0.235 243 S C 1.819 176.428 174.600 0.016 0.000 0.997 243 S CA 0.966 59.193 58.200 0.045 0.000 0.949 243 S CB -0.553 62.686 63.200 0.064 0.000 0.766 243 S HN 0.434 nan 8.310 nan 0.000 0.517 244 M N 1.023 120.633 119.600 0.016 0.000 2.630 244 M HA 0.233 4.713 4.480 0.000 0.000 0.254 244 M C 1.274 177.569 176.300 -0.009 0.000 1.092 244 M CA 0.679 55.982 55.300 0.004 0.000 1.087 244 M CB -1.008 31.597 32.600 0.008 0.000 1.453 244 M HN 0.443 nan 8.290 nan 0.000 0.509 245 L N -1.817 119.395 121.223 -0.019 0.000 2.585 245 L HA 0.065 4.405 4.340 0.000 0.000 0.226 245 L C 1.991 178.832 176.870 -0.049 0.000 1.113 245 L CA -0.030 54.784 54.840 -0.043 0.000 0.876 245 L CB -0.405 41.614 42.059 -0.066 0.000 1.072 245 L HN 0.110 nan 8.230 nan 0.000 0.468 246 S N 0.726 116.405 115.700 -0.036 0.000 2.447 246 S HA -0.060 4.410 4.470 0.000 0.000 0.233 246 S C 1.836 176.413 174.600 -0.038 0.000 1.006 246 S CA 1.219 59.396 58.200 -0.038 0.000 0.957 246 S CB -0.086 63.098 63.200 -0.026 0.000 0.773 246 S HN 0.602 nan 8.310 nan 0.000 0.507 247 G N 0.368 109.148 108.800 -0.033 0.000 3.233 247 G HA2 0.358 4.318 3.960 0.000 0.000 0.234 247 G HA3 0.358 4.318 3.960 0.000 0.000 0.234 247 G C 0.211 175.087 174.900 -0.039 0.000 1.137 247 G CA -0.305 44.776 45.100 -0.032 0.000 0.763 247 G HN 0.293 nan 8.290 nan 0.000 0.549 248 L N 0.951 122.143 121.223 -0.050 0.000 2.399 248 L HA 0.346 4.687 4.340 0.000 0.000 0.266 248 L C -1.989 174.839 176.870 -0.069 0.000 1.114 248 L CA -1.986 52.816 54.840 -0.062 0.000 0.804 248 L CB 1.048 43.061 42.059 -0.076 0.000 1.146 248 L HN -0.112 nan 8.230 nan 0.000 0.451 249 P HA 0.015 nan 4.420 nan 0.000 0.269 249 P C -0.066 177.182 177.300 -0.088 0.000 1.209 249 P CA -0.202 62.854 63.100 -0.073 0.000 0.776 249 P CB 0.551 32.209 31.700 -0.071 0.000 0.876 250 D N 2.021 122.371 120.400 -0.084 0.000 2.149 250 D HA -0.169 4.471 4.640 0.000 0.000 0.198 250 D C 1.704 177.937 176.300 -0.112 0.000 0.990 250 D CA 1.657 55.599 54.000 -0.097 0.000 0.839 250 D CB -0.206 40.542 40.800 -0.086 0.000 0.948 250 D HN 0.407 nan 8.370 nan 0.000 0.460 251 A N 0.766 123.525 122.820 -0.102 0.000 2.172 251 A HA -0.093 4.227 4.320 0.000 0.000 0.216 251 A C 1.807 179.309 177.584 -0.137 0.000 1.154 251 A CA 0.861 52.833 52.037 -0.108 0.000 0.701 251 A CB -0.222 18.729 19.000 -0.082 0.000 0.789 251 A HN 0.184 nan 8.150 nan 0.000 0.465 252 M N -1.008 118.505 119.600 -0.146 0.000 2.484 252 M HA 0.291 4.771 4.480 0.000 0.000 0.307 252 M C -0.205 175.961 176.300 -0.224 0.000 1.149 252 M CA 0.121 55.316 55.300 -0.175 0.000 0.972 252 M CB -0.236 32.274 32.600 -0.150 0.000 1.400 252 M HN 0.125 nan 8.290 nan 0.000 0.508 253 R N 1.228 121.592 120.500 -0.227 0.000 2.230 253 R HA 0.419 4.760 4.340 0.000 0.000 0.337 253 R C 1.296 177.368 176.300 -0.380 0.000 1.063 253 R CA -0.173 55.770 56.100 -0.262 0.000 0.935 253 R CB 0.772 30.962 30.300 -0.184 0.000 1.121 253 R HN 0.340 nan 8.270 nan 0.000 0.486 254 G N 1.610 110.010 108.800 -0.666 0.000 2.494 254 G HA2 0.188 4.148 3.960 0.000 0.000 0.216 254 G HA3 0.188 4.148 3.960 0.000 0.000 0.216 254 G C 0.771 175.285 174.900 -0.643 0.000 1.140 254 G CA 0.656 45.076 45.100 -1.134 0.000 0.801 254 G HN 0.873 nan 8.290 nan 0.000 0.536 255 G N -0.508 108.056 108.800 -0.393 0.000 2.508 255 G HA2 -0.178 3.782 3.960 0.000 0.000 0.220 255 G HA3 -0.178 3.782 3.960 0.000 0.000 0.220 255 G C -0.169 174.757 174.900 0.044 0.000 1.287 255 G CA -0.403 44.630 45.100 -0.112 0.000 0.916 255 G HN 0.565 nan 8.290 nan 0.000 0.574 256 L N 1.221 122.506 121.223 0.103 0.000 2.426 256 L HA 0.243 4.583 4.340 0.000 0.000 0.271 256 L C 2.407 179.403 176.870 0.210 0.000 1.169 256 L CA -0.032 54.886 54.840 0.130 0.000 0.836 256 L CB 1.102 43.229 42.059 0.114 0.000 1.112 256 L HN 0.775 nan 8.230 nan 0.000 0.465 257 V N 0.255 120.240 119.914 0.119 0.000 2.453 257 V HA -0.320 3.801 4.120 0.000 0.000 0.252 257 V C 2.302 178.378 176.094 -0.031 0.000 1.068 257 V CA 1.950 64.248 62.300 -0.002 0.000 1.070 257 V CB -1.405 30.357 31.823 -0.101 0.000 0.664 257 V HN 1.081 nan 8.190 nan 0.000 0.461 258 Q N 3.606 123.414 119.800 0.013 0.000 2.197 258 Q HA -0.325 4.015 4.340 0.000 0.000 0.211 258 Q C 1.604 177.667 176.000 0.103 0.000 0.993 258 Q CA 2.473 58.300 55.803 0.040 0.000 0.883 258 Q CB -1.055 27.709 28.738 0.044 0.000 0.916 258 Q HN 0.851 nan 8.270 nan 0.000 0.418 259 N N 0.069 118.861 118.700 0.154 0.000 2.370 259 N HA -0.008 4.732 4.740 0.000 0.000 0.198 259 N C 0.941 176.627 175.510 0.295 0.000 1.156 259 N CA 0.107 53.302 53.050 0.243 0.000 0.839 259 N CB 0.124 38.767 38.487 0.260 0.000 0.989 259 N HN 0.137 nan 8.380 nan 0.000 0.468 260 L N -0.347 120.880 121.223 0.005 0.000 2.465 260 L HA 0.091 4.432 4.340 0.000 0.000 0.224 260 L C 1.652 178.551 176.870 0.049 0.000 1.145 260 L CA 0.678 55.319 54.840 -0.331 0.000 0.834 260 L CB -1.149 40.521 42.059 -0.649 0.000 0.944 260 L HN 0.239 nan 8.230 nan 0.000 0.451 261 Y N 0.441 120.773 120.300 0.053 0.000 2.081 261 Y HA -0.342 4.208 4.550 0.000 0.000 0.280 261 Y C 2.590 178.575 175.900 0.141 0.000 1.163 261 Y CA 2.179 60.322 58.100 0.073 0.000 1.135 261 Y CB -0.247 38.246 38.460 0.055 0.000 0.970 261 Y HN 0.362 nan 8.280 nan 0.000 0.498 262 S N -1.002 114.877 115.700 0.297 0.000 2.631 262 S HA -0.014 4.456 4.470 0.000 0.000 0.217 262 S C 1.577 176.251 174.600 0.124 0.000 0.958 262 S CA -0.085 58.203 58.200 0.147 0.000 0.920 262 S CB -1.283 62.037 63.200 0.200 0.000 0.776 262 S HN 0.443 nan 8.310 nan 0.000 0.517 263 F N 2.017 121.957 119.950 -0.018 0.000 2.186 263 F HA 0.014 4.542 4.527 0.000 0.000 0.299 263 F C 2.812 178.612 175.800 0.001 0.000 1.090 263 F CA 0.889 58.902 58.000 0.022 0.000 1.307 263 F CB -0.406 38.623 39.000 0.050 0.000 1.019 263 F HN 0.376 nan 8.300 nan 0.000 0.489 264 A N -0.091 122.799 122.820 0.118 0.000 1.858 264 A HA -0.171 4.149 4.320 0.000 0.000 0.216 264 A C 2.008 179.593 177.584 0.002 0.000 1.190 264 A CA 1.326 53.382 52.037 0.031 0.000 0.617 264 A CB -0.432 18.541 19.000 -0.046 0.000 0.827 264 A HN 0.046 nan 8.150 nan 0.000 0.443 265 K N 0.171 120.554 120.400 -0.028 0.000 2.574 265 K HA 0.113 4.433 4.320 0.000 0.000 0.193 265 K C 1.211 177.804 176.600 -0.012 0.000 1.035 265 K CA 0.897 57.170 56.287 -0.023 0.000 0.982 265 K CB -0.611 31.872 32.500 -0.029 0.000 0.795 265 K HN 0.491 nan 8.250 nan 0.000 0.491 266 A N 0.312 123.126 122.820 -0.009 0.000 2.470 266 A HA 0.119 4.440 4.320 0.000 0.000 0.251 266 A C -0.366 177.220 177.584 0.003 0.000 1.245 266 A CA -0.130 51.893 52.037 -0.022 0.000 0.932 266 A CB 0.307 19.258 19.000 -0.081 0.000 1.037 266 A HN 0.220 nan 8.150 nan 0.000 0.522 267 D N -1.755 118.659 120.400 0.024 0.000 2.981 267 D HA -0.190 4.450 4.640 0.000 0.000 0.223 267 D C 0.575 176.918 176.300 0.072 0.000 1.151 267 D CA 1.080 55.102 54.000 0.037 0.000 0.827 267 D CB -1.362 39.452 40.800 0.023 0.000 1.101 267 D HN 0.694 nan 8.370 nan 0.000 0.426 268 A N -0.763 122.132 122.820 0.126 0.000 2.610 268 A HA 0.612 4.932 4.320 0.000 0.000 0.291 268 A C 0.925 178.754 177.584 0.408 0.000 1.116 268 A CA 0.633 52.827 52.037 0.261 0.000 0.963 268 A CB 0.543 19.695 19.000 0.253 0.000 1.220 268 A HN 0.407 nan 8.150 nan 0.000 0.530 269 A N 1.686 124.648 122.820 0.236 0.000 2.548 269 A HA 0.485 4.805 4.320 0.000 0.000 0.247 269 A C -2.274 175.384 177.584 0.124 0.000 1.067 269 A CA -0.571 51.578 52.037 0.187 0.000 0.757 269 A CB -0.557 18.487 19.000 0.074 0.000 0.996 269 A HN 0.287 nan 8.150 nan 0.000 0.504 270 P HA -0.027 nan 4.420 nan 0.000 0.264 270 P C 0.269 177.550 177.300 -0.032 0.000 1.179 270 P CA 0.220 63.350 63.100 0.050 0.000 0.763 270 P CB 0.609 32.328 31.700 0.031 0.000 0.806 271 D N 1.689 122.032 120.400 -0.095 0.000 2.183 271 D HA 0.058 4.698 4.640 0.000 0.000 0.205 271 D C 0.127 176.409 176.300 -0.031 0.000 0.962 271 D CA 0.876 54.823 54.000 -0.088 0.000 0.849 271 D CB 0.218 40.923 40.800 -0.158 0.000 0.978 271 D HN 0.220 nan 8.370 nan 0.000 0.488 272 L N 0.122 121.339 121.223 -0.010 0.000 2.513 272 L HA 0.456 4.796 4.340 0.000 0.000 0.261 272 L C -1.841 175.054 176.870 0.042 0.000 0.945 272 L CA -0.743 54.111 54.840 0.024 0.000 0.848 272 L CB 2.222 44.301 42.059 0.033 0.000 1.334 272 L HN -0.212 nan 8.230 nan 0.000 0.407 273 V N 5.516 125.455 119.914 0.041 0.000 2.577 273 V HA 0.566 4.686 4.120 0.000 0.000 0.303 273 V C -1.594 174.522 176.094 0.037 0.000 1.042 273 V CA -0.586 61.733 62.300 0.033 0.000 0.872 273 V CB 1.887 33.701 31.823 -0.014 0.000 0.998 273 V HN 0.717 nan 8.190 nan 0.000 0.423 274 L N 7.881 129.136 121.223 0.053 0.000 2.259 274 L HA 0.627 4.968 4.340 0.000 0.000 0.288 274 L C -0.157 176.726 176.870 0.021 0.000 1.051 274 L CA 0.040 54.913 54.840 0.054 0.000 0.824 274 L CB 0.970 43.089 42.059 0.100 0.000 1.206 274 L HN 0.774 nan 8.230 nan 0.000 0.429 275 M N 6.755 126.344 119.600 -0.018 0.000 2.063 275 M HA 0.337 4.817 4.480 0.000 0.000 0.348 275 M C -0.752 175.523 176.300 -0.043 0.000 1.180 275 M CA 0.004 55.266 55.300 -0.064 0.000 1.059 275 M CB 0.752 33.263 32.600 -0.150 0.000 1.544 275 M HN 0.436 nan 8.290 nan 0.000 0.447 276 L N 3.584 124.789 121.223 -0.031 0.000 2.371 276 L HA 0.446 4.786 4.340 0.000 0.000 0.262 276 L C 0.969 177.818 176.870 -0.036 0.000 1.054 276 L CA -0.300 54.525 54.840 -0.025 0.000 0.924 276 L CB 0.550 42.605 42.059 -0.008 0.000 1.295 276 L HN 1.109 nan 8.230 nan 0.000 0.441 277 G N 1.724 110.497 108.800 -0.045 0.000 2.179 277 G HA2 -0.275 3.685 3.960 0.000 0.000 0.260 277 G HA3 -0.275 3.685 3.960 0.000 0.000 0.260 277 G C 0.387 175.246 174.900 -0.067 0.000 0.977 277 G CA 0.056 45.126 45.100 -0.050 0.000 0.641 277 G HN 0.730 nan 8.290 nan 0.000 0.533 278 A N 0.640 123.408 122.820 -0.086 0.000 2.309 278 A HA 0.754 5.074 4.320 0.000 0.000 0.290 278 A C 0.745 178.236 177.584 -0.155 0.000 1.206 278 A CA -0.119 51.849 52.037 -0.114 0.000 0.850 278 A CB 0.295 19.218 19.000 -0.128 0.000 1.118 278 A HN 0.509 nan 8.150 nan 0.000 0.523 279 R N 1.156 121.600 120.500 -0.094 0.000 2.528 279 R HA 0.384 4.724 4.340 0.000 0.000 0.271 279 R C -1.110 175.129 176.300 -0.102 0.000 1.056 279 R CA -0.321 55.748 56.100 -0.052 0.000 1.117 279 R CB 0.690 31.039 30.300 0.082 0.000 1.085 279 R HN 0.651 nan 8.270 nan 0.000 0.530 280 F N 0.863 120.830 119.950 0.028 0.000 2.506 280 F HA 0.325 4.852 4.527 0.001 0.000 0.371 280 F C 1.304 177.098 175.800 -0.010 0.000 1.078 280 F CA 1.130 59.136 58.000 0.009 0.000 1.195 280 F CB 0.979 39.993 39.000 0.022 0.000 1.099 280 F HN 0.672 nan 8.300 nan 0.000 0.548 281 G N 2.180 111.022 108.800 0.070 0.000 2.356 281 G HA2 0.134 4.095 3.960 0.000 0.000 0.281 281 G HA3 0.134 4.095 3.960 0.000 0.000 0.281 281 G C -0.272 174.350 174.900 -0.465 0.000 1.246 281 G CA -0.618 44.391 45.100 -0.153 0.000 0.889 281 G HN 0.533 nan 8.290 nan 0.000 0.486 282 L N 0.780 121.701 121.223 -0.504 0.000 1.990 282 L HA -0.046 4.295 4.340 0.000 0.000 0.213 282 L C 2.278 179.020 176.870 -0.214 0.000 1.072 282 L CA 2.965 57.551 54.840 -0.422 0.000 0.755 282 L CB -0.639 41.354 42.059 -0.110 0.000 0.889 282 L HN 0.543 nan 8.230 nan 0.000 0.432 283 N N -0.997 117.683 118.700 -0.034 0.000 2.396 283 N HA -0.090 4.650 4.740 0.000 0.000 0.180 283 N C 1.355 176.792 175.510 -0.121 0.000 1.028 283 N CA 1.573 54.572 53.050 -0.084 0.000 0.893 283 N CB -0.419 38.014 38.487 -0.091 0.000 0.967 283 N HN 0.653 nan 8.380 nan 0.000 0.440 284 T N -3.738 110.744 114.554 -0.120 0.000 3.134 284 T HA 0.409 4.760 4.350 0.000 0.000 0.260 284 T C 1.086 175.749 174.700 -0.062 0.000 1.027 284 T CA 0.158 62.194 62.100 -0.107 0.000 0.913 284 T CB 0.410 69.195 68.868 -0.138 0.000 1.046 284 T HN 0.220 nan 8.240 nan 0.000 0.553 285 G N 1.724 110.456 108.800 -0.113 0.000 2.149 285 G HA2 -0.250 3.710 3.960 0.000 0.000 0.235 285 G HA3 -0.250 3.710 3.960 0.000 0.000 0.235 285 G C 0.271 175.223 174.900 0.088 0.000 1.018 285 G CA 0.441 45.533 45.100 -0.013 0.000 0.728 285 G HN 0.902 nan 8.290 nan 0.000 0.508 286 H N -1.732 117.398 119.070 0.100 0.000 1.452 286 H HA -0.251 4.305 4.556 0.001 0.000 0.090 286 H C 2.009 177.423 175.328 0.143 0.000 0.968 286 H CA 2.599 58.709 56.048 0.104 0.000 1.901 286 H CB -1.237 28.550 29.762 0.043 0.000 2.257 286 H HN 1.188 nan 8.280 nan 0.000 0.961 287 G N -0.858 108.081 108.800 0.232 0.000 3.502 287 G HA2 0.244 4.204 3.960 0.000 0.000 0.267 287 G HA3 0.244 4.204 3.960 0.000 0.000 0.267 287 G C 1.111 176.128 174.900 0.195 0.000 1.090 287 G CA 0.606 45.781 45.100 0.125 0.000 0.795 287 G HN 0.692 nan 8.290 nan 0.000 0.535 288 S N -0.421 115.374 115.700 0.158 0.000 2.428 288 S HA 0.250 4.720 4.470 0.000 0.000 0.230 288 S C 2.054 176.590 174.600 -0.106 0.000 1.014 288 S CA 1.196 59.453 58.200 0.094 0.000 0.957 288 S CB -0.221 63.037 63.200 0.096 0.000 0.784 288 S HN 1.423 nan 8.310 nan 0.000 0.499 289 G N 0.804 109.486 108.800 -0.197 0.000 2.148 289 G HA2 -0.310 3.650 3.960 0.000 0.000 0.254 289 G HA3 -0.310 3.650 3.960 0.000 0.000 0.254 289 G C 0.603 175.350 174.900 -0.255 0.000 0.981 289 G CA 0.530 45.341 45.100 -0.482 0.000 0.670 289 G HN 0.565 nan 8.290 nan 0.000 0.528 290 Q N -0.994 118.738 119.800 -0.114 0.000 2.230 290 Q HA 0.251 4.592 4.340 0.000 0.000 0.202 290 Q C 2.534 178.491 176.000 -0.071 0.000 0.963 290 Q CA 1.304 57.059 55.803 -0.081 0.000 0.866 290 Q CB 0.033 28.796 28.738 0.041 0.000 0.931 290 Q HN 0.720 nan 8.270 nan 0.000 0.452 291 L N -0.839 120.351 121.223 -0.054 0.000 2.586 291 L HA 0.183 4.523 4.340 0.000 0.000 0.204 291 L C 0.374 177.162 176.870 -0.136 0.000 1.053 291 L CA -0.137 54.645 54.840 -0.097 0.000 0.856 291 L CB 0.505 42.516 42.059 -0.080 0.000 1.192 291 L HN 0.061 nan 8.230 nan 0.000 0.484 292 I N 2.227 122.756 120.570 -0.068 0.000 2.282 292 I HA 0.294 4.464 4.170 0.000 0.000 0.290 292 I C -2.339 173.775 176.117 -0.005 0.000 1.090 292 I CA -2.244 59.042 61.300 -0.023 0.000 1.231 292 I CB -0.175 37.874 38.000 0.081 0.000 1.434 292 I HN -0.198 nan 8.210 nan 0.000 0.487 293 P HA 0.065 nan 4.420 nan 0.000 0.269 293 P C 0.813 178.129 177.300 0.028 0.000 1.209 293 P CA 0.080 63.143 63.100 -0.062 0.000 0.776 293 P CB 0.497 32.178 31.700 -0.030 0.000 0.876 294 H N 0.626 119.705 119.070 0.016 0.000 2.456 294 H HA -0.083 4.473 4.556 0.000 0.000 0.296 294 H C 1.682 177.013 175.328 0.006 0.000 1.079 294 H CA 1.982 58.034 56.048 0.007 0.000 1.322 294 H CB -0.685 29.074 29.762 -0.004 0.000 1.388 294 H HN 0.427 nan 8.280 nan 0.000 0.538 295 S N -0.429 115.340 115.700 0.116 0.000 2.558 295 S HA 0.318 4.788 4.470 0.000 0.000 0.217 295 S C 1.254 175.879 174.600 0.043 0.000 0.975 295 S CA 0.030 58.268 58.200 0.063 0.000 0.912 295 S CB 0.135 63.358 63.200 0.039 0.000 0.776 295 S HN 0.395 nan 8.310 nan 0.000 0.526 296 A N 1.328 124.177 122.820 0.048 0.000 2.322 296 A HA 0.501 4.821 4.320 0.000 0.000 0.269 296 A C 0.079 177.692 177.584 0.048 0.000 1.094 296 A CA -0.603 51.455 52.037 0.035 0.000 0.807 296 A CB 0.338 19.355 19.000 0.028 0.000 1.047 296 A HN 0.487 nan 8.150 nan 0.000 0.487 297 Q N 0.372 120.195 119.800 0.038 0.000 2.279 297 Q HA 0.462 4.802 4.340 0.000 0.000 0.256 297 Q C -1.113 174.922 176.000 0.059 0.000 0.937 297 Q CA -0.310 55.521 55.803 0.046 0.000 0.933 297 Q CB 1.585 30.345 28.738 0.035 0.000 1.189 297 Q HN 0.480 nan 8.270 nan 0.000 0.417 298 V N 5.041 125.001 119.914 0.076 0.000 2.417 298 V HA 0.414 4.534 4.120 0.000 0.000 0.291 298 V C -0.217 175.924 176.094 0.078 0.000 1.024 298 V CA -0.589 61.765 62.300 0.089 0.000 0.861 298 V CB 1.433 33.348 31.823 0.154 0.000 0.985 298 V HN 0.642 nan 8.190 nan 0.000 0.436 299 I N 4.640 125.248 120.570 0.062 0.000 2.339 299 I HA 0.457 4.628 4.170 0.000 0.000 0.290 299 I C -0.049 176.092 176.117 0.040 0.000 0.994 299 I CA -0.109 61.223 61.300 0.054 0.000 1.191 299 I CB 1.376 39.408 38.000 0.054 0.000 1.343 299 I HN 0.606 nan 8.210 nan 0.000 0.458 300 Q N 5.683 125.509 119.800 0.043 0.000 2.331 300 Q HA 0.616 4.956 4.340 0.000 0.000 0.267 300 Q C -1.685 174.325 176.000 0.017 0.000 1.006 300 Q CA -0.672 55.146 55.803 0.025 0.000 0.818 300 Q CB 2.439 31.211 28.738 0.056 0.000 1.276 300 Q HN 0.502 nan 8.270 nan 0.000 0.450 301 V N 4.419 124.332 119.914 -0.002 0.000 2.407 301 V HA 0.497 4.617 4.120 0.000 0.000 0.291 301 V C -0.702 175.385 176.094 -0.012 0.000 1.018 301 V CA -0.571 61.725 62.300 -0.006 0.000 0.842 301 V CB 1.673 33.487 31.823 -0.015 0.000 0.996 301 V HN 0.799 nan 8.190 nan 0.000 0.426 302 D N 5.721 126.118 120.400 -0.004 0.000 2.837 302 D HA 0.343 4.984 4.640 0.000 0.000 0.220 302 D C -2.276 174.023 176.300 -0.003 0.000 1.236 302 D CA -1.209 52.787 54.000 -0.007 0.000 0.838 302 D CB 3.870 44.669 40.800 -0.002 0.000 1.647 302 D HN 0.239 nan 8.370 nan 0.000 0.486 303 P HA 0.009 nan 4.420 nan 0.000 0.230 303 P C -0.016 177.285 177.300 0.003 0.000 1.158 303 P CA 0.620 63.718 63.100 -0.003 0.000 0.769 303 P CB 0.472 32.168 31.700 -0.007 0.000 0.807 304 D N -0.291 120.111 120.400 0.004 0.000 2.414 304 D HA 0.386 5.026 4.640 0.000 0.000 0.232 304 D C 1.131 177.444 176.300 0.022 0.000 1.070 304 D CA -0.750 53.257 54.000 0.012 0.000 0.839 304 D CB 1.389 42.191 40.800 0.003 0.000 1.079 304 D HN -0.175 nan 8.370 nan 0.000 0.521 305 A N 3.008 125.843 122.820 0.025 0.000 2.032 305 A HA -0.197 4.123 4.320 0.000 0.000 0.221 305 A C 2.320 179.926 177.584 0.038 0.000 1.165 305 A CA 1.203 53.258 52.037 0.030 0.000 0.645 305 A CB -0.661 18.355 19.000 0.026 0.000 0.807 305 A HN 0.762 nan 8.150 nan 0.000 0.453 306 C N -0.415 118.908 119.300 0.039 0.000 2.413 306 C HA -0.075 4.386 4.460 0.000 0.000 0.277 306 C C 2.537 177.561 174.990 0.058 0.000 1.265 306 C CA 1.160 60.205 59.018 0.045 0.000 1.752 306 C CB -0.948 26.820 27.740 0.046 0.000 1.998 306 C HN 0.601 nan 8.230 nan 0.000 0.489 307 E N 0.253 120.491 120.200 0.062 0.000 2.285 307 E HA 0.024 4.374 4.350 0.000 0.000 0.194 307 E C 0.475 177.154 176.600 0.132 0.000 0.997 307 E CA 0.314 56.770 56.400 0.093 0.000 0.845 307 E CB -0.318 29.423 29.700 0.069 0.000 0.782 307 E HN 0.401 nan 8.360 nan 0.000 0.491 308 L N 1.449 122.732 121.223 0.099 0.000 2.742 308 L HA 0.049 4.390 4.340 0.000 0.000 0.275 308 L C 1.234 178.180 176.870 0.126 0.000 1.141 308 L CA 1.028 55.935 54.840 0.112 0.000 0.987 308 L CB -0.954 41.147 42.059 0.070 0.000 1.319 308 L HN 0.278 nan 8.230 nan 0.000 0.478 309 G N 3.433 112.365 108.800 0.220 0.000 2.323 309 G HA2 -0.391 3.569 3.960 0.000 0.000 0.292 309 G HA3 -0.391 3.569 3.960 0.000 0.000 0.292 309 G C 1.315 176.193 174.900 -0.038 0.000 1.040 309 G CA 0.839 45.999 45.100 0.100 0.000 0.942 309 G HN 0.825 nan 8.290 nan 0.000 0.506 310 R N -0.794 119.732 120.500 0.044 0.000 2.120 310 R HA 0.146 4.486 4.340 0.000 0.000 0.234 310 R C 1.850 178.089 176.300 -0.103 0.000 1.123 310 R CA 1.972 58.072 56.100 0.001 0.000 0.975 310 R CB -0.187 30.157 30.300 0.073 0.000 0.866 310 R HN 0.521 nan 8.270 nan 0.000 0.446 311 L N -0.963 120.091 121.223 -0.282 0.000 2.966 311 L HA 0.370 4.711 4.340 0.000 0.000 0.262 311 L C 0.062 176.677 176.870 -0.424 0.000 1.165 311 L CA -0.315 54.352 54.840 -0.289 0.000 0.978 311 L CB 0.641 42.599 42.059 -0.169 0.000 1.337 311 L HN 0.242 nan 8.230 nan 0.000 0.563 312 Q N -0.315 119.134 119.800 -0.585 0.000 2.479 312 Q HA 0.434 4.774 4.340 0.000 0.000 0.276 312 Q C -0.527 175.297 176.000 -0.295 0.000 0.989 312 Q CA -0.576 54.941 55.803 -0.475 0.000 0.864 312 Q CB 2.379 30.717 28.738 -0.667 0.000 1.444 312 Q HN 0.129 nan 8.270 nan 0.000 0.388 313 G N 2.715 111.419 108.800 -0.160 0.000 2.380 313 G HA2 0.410 4.371 3.960 0.000 0.000 0.242 313 G HA3 0.410 4.371 3.960 0.000 0.000 0.242 313 G C -0.037 174.861 174.900 -0.004 0.000 1.298 313 G CA -0.018 45.038 45.100 -0.072 0.000 0.878 313 G HN 0.586 nan 8.290 nan 0.000 0.542 314 I N -0.475 120.113 120.570 0.030 0.000 3.067 314 I HA 0.804 4.975 4.170 0.000 0.000 0.312 314 I C 0.820 176.968 176.117 0.052 0.000 1.073 314 I CA -1.312 60.035 61.300 0.078 0.000 1.016 314 I CB 2.264 40.341 38.000 0.128 0.000 1.227 314 I HN 0.429 nan 8.210 nan 0.000 0.456 315 A N 2.618 125.472 122.820 0.057 0.000 2.014 315 A HA 0.473 4.793 4.320 0.000 0.000 0.210 315 A C 0.360 177.967 177.584 0.039 0.000 1.188 315 A CA 0.594 52.656 52.037 0.041 0.000 0.731 315 A CB 0.132 19.157 19.000 0.041 0.000 0.858 315 A HN 0.651 nan 8.150 nan 0.000 0.464 316 L N -1.056 120.194 121.223 0.046 0.000 2.516 316 L HA 0.681 5.021 4.340 0.000 0.000 0.267 316 L C -0.550 176.346 176.870 0.044 0.000 0.957 316 L CA -0.105 54.758 54.840 0.040 0.000 0.860 316 L CB 1.569 43.650 42.059 0.038 0.000 1.265 316 L HN 0.103 nan 8.230 nan 0.000 0.403 317 G N 5.906 114.729 108.800 0.038 0.000 2.533 317 G HA2 0.641 4.601 3.960 0.000 0.000 0.310 317 G HA3 0.641 4.601 3.960 0.000 0.000 0.310 317 G C -1.050 173.867 174.900 0.028 0.000 1.266 317 G CA -0.305 44.819 45.100 0.039 0.000 0.967 317 G HN 0.539 nan 8.290 nan 0.000 0.493 318 I N 2.619 123.203 120.570 0.023 0.000 2.389 318 I HA 0.262 4.433 4.170 0.000 0.000 0.288 318 I C -0.001 176.123 176.117 0.011 0.000 0.999 318 I CA -1.155 60.153 61.300 0.014 0.000 1.129 318 I CB 2.277 40.281 38.000 0.007 0.000 1.288 318 I HN 0.259 nan 8.210 nan 0.000 0.444 319 V N 6.978 126.898 119.914 0.010 0.000 2.368 319 V HA 0.898 5.018 4.120 0.000 0.000 0.266 319 V C -0.020 176.075 176.094 0.002 0.000 1.045 319 V CA 0.312 62.616 62.300 0.007 0.000 0.899 319 V CB 0.463 32.292 31.823 0.011 0.000 1.006 319 V HN 0.912 nan 8.190 nan 0.000 0.470 320 A N 4.376 127.194 122.820 -0.002 0.000 2.540 320 A HA 0.577 4.898 4.320 0.000 0.000 0.291 320 A C -1.155 176.424 177.584 -0.009 0.000 1.083 320 A CA -0.517 51.516 52.037 -0.006 0.000 0.650 320 A CB 1.012 20.005 19.000 -0.011 0.000 1.292 320 A HN 0.877 nan 8.150 nan 0.000 0.435 321 D N -0.405 119.989 120.400 -0.009 0.000 2.350 321 D HA 0.411 5.051 4.640 0.000 0.000 0.249 321 D C 1.095 177.385 176.300 -0.017 0.000 1.119 321 D CA 0.122 54.116 54.000 -0.010 0.000 0.886 321 D CB 1.319 42.117 40.800 -0.002 0.000 1.195 321 D HN 0.205 nan 8.370 nan 0.000 0.437 322 V N 3.751 123.653 119.914 -0.020 0.000 2.358 322 V HA -0.061 4.060 4.120 0.000 0.000 0.246 322 V C 2.288 178.365 176.094 -0.029 0.000 1.047 322 V CA 2.160 64.444 62.300 -0.026 0.000 1.035 322 V CB -0.826 30.982 31.823 -0.025 0.000 0.658 322 V HN 0.828 nan 8.190 nan 0.000 0.452 323 G N 0.093 108.881 108.800 -0.018 0.000 2.418 323 G HA2 -0.158 3.802 3.960 0.000 0.000 0.217 323 G HA3 -0.158 3.802 3.960 0.000 0.000 0.217 323 G C 1.640 176.530 174.900 -0.015 0.000 1.158 323 G CA 0.937 46.029 45.100 -0.013 0.000 0.771 323 G HN 0.580 nan 8.290 nan 0.000 0.545 324 G N 0.154 108.948 108.800 -0.009 0.000 2.422 324 G HA2 -0.138 3.822 3.960 0.000 0.000 0.218 324 G HA3 -0.138 3.822 3.960 0.000 0.000 0.218 324 G C 1.841 176.716 174.900 -0.043 0.000 1.146 324 G CA 1.759 46.852 45.100 -0.012 0.000 0.769 324 G HN 0.392 nan 8.290 nan 0.000 0.547 325 T N 1.376 115.897 114.554 -0.055 0.000 2.737 325 T HA -0.041 4.309 4.350 0.000 0.000 0.265 325 T C 2.391 177.003 174.700 -0.147 0.000 1.038 325 T CA 0.974 63.022 62.100 -0.088 0.000 1.144 325 T CB -0.182 68.640 68.868 -0.077 0.000 0.866 325 T HN 0.242 nan 8.240 nan 0.000 0.434 326 I N 0.902 121.391 120.570 -0.134 0.000 2.151 326 I HA -0.231 3.940 4.170 0.000 0.000 0.243 326 I C 2.747 178.766 176.117 -0.163 0.000 1.080 326 I CA 1.464 62.660 61.300 -0.173 0.000 1.339 326 I CB -0.355 37.597 38.000 -0.080 0.000 1.039 326 I HN 0.215 nan 8.210 nan 0.000 0.409 327 E N 0.939 121.084 120.200 -0.092 0.000 2.085 327 E HA -0.216 4.135 4.350 0.000 0.000 0.194 327 E C 2.110 178.659 176.600 -0.084 0.000 0.994 327 E CA 1.645 58.006 56.400 -0.065 0.000 0.801 327 E CB -0.149 29.531 29.700 -0.033 0.000 0.743 327 E HN 0.479 nan 8.360 nan 0.000 0.453 328 A N -0.221 122.538 122.820 -0.101 0.000 1.968 328 A HA -0.048 4.272 4.320 0.000 0.000 0.217 328 A C 2.143 179.649 177.584 -0.128 0.000 1.169 328 A CA 0.840 52.822 52.037 -0.093 0.000 0.638 328 A CB -0.437 18.516 19.000 -0.078 0.000 0.812 328 A HN 0.286 nan 8.150 nan 0.000 0.446 329 L N -0.847 120.225 121.223 -0.252 0.000 2.109 329 L HA -0.129 4.211 4.340 0.000 0.000 0.207 329 L C 3.044 179.765 176.870 -0.249 0.000 1.086 329 L CA 0.943 55.533 54.840 -0.417 0.000 0.760 329 L CB -0.431 41.004 42.059 -1.042 0.000 0.910 329 L HN 0.412 nan 8.230 nan 0.000 0.437 330 A N -0.650 122.072 122.820 -0.164 0.000 1.898 330 A HA -0.263 4.058 4.320 0.000 0.000 0.216 330 A C 2.270 179.873 177.584 0.032 0.000 1.181 330 A CA 1.677 53.723 52.037 0.014 0.000 0.620 330 A CB -0.514 18.499 19.000 0.021 0.000 0.819 330 A HN 0.464 nan 8.150 nan 0.000 0.442 331 Q N -0.586 119.213 119.800 -0.002 0.000 2.050 331 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 331 Q C 2.212 178.236 176.000 0.040 0.000 0.980 331 Q CA 1.545 57.356 55.803 0.013 0.000 0.840 331 Q CB -0.315 28.418 28.738 -0.008 0.000 0.898 331 Q HN 0.603 nan 8.270 nan 0.000 0.424 332 A N -0.473 122.373 122.820 0.043 0.000 1.972 332 A HA -0.127 4.194 4.320 0.000 0.000 0.219 332 A C 2.104 179.779 177.584 0.152 0.000 1.169 332 A CA 1.806 53.893 52.037 0.083 0.000 0.635 332 A CB -0.646 18.401 19.000 0.079 0.000 0.810 332 A HN 0.414 nan 8.150 nan 0.000 0.446 333 T N -1.133 113.526 114.554 0.174 0.000 3.081 333 T HA 0.313 4.663 4.350 0.000 0.000 0.255 333 T C 1.831 176.646 174.700 0.191 0.000 1.113 333 T CA 0.922 63.175 62.100 0.255 0.000 1.082 333 T CB -0.217 68.810 68.868 0.265 0.000 0.939 333 T HN 0.502 nan 8.240 nan 0.000 0.506 334 A N 1.001 123.897 122.820 0.126 0.000 1.970 334 A HA -0.016 4.304 4.320 0.000 0.000 0.216 334 A C 2.302 179.941 177.584 0.091 0.000 1.170 334 A CA 0.695 52.788 52.037 0.094 0.000 0.645 334 A CB -0.191 18.846 19.000 0.062 0.000 0.816 334 A HN 0.486 nan 8.150 nan 0.000 0.447 335 Q N 0.026 119.881 119.800 0.091 0.000 2.083 335 Q HA -0.154 4.186 4.340 0.000 0.000 0.198 335 Q C 1.382 177.436 176.000 0.090 0.000 0.969 335 Q CA 1.388 57.236 55.803 0.075 0.000 0.838 335 Q CB -0.442 28.333 28.738 0.061 0.000 0.900 335 Q HN 0.641 nan 8.270 nan 0.000 0.436 336 D N 0.660 121.143 120.400 0.139 0.000 2.087 336 D HA -0.080 4.560 4.640 0.000 0.000 0.203 336 D C 0.908 177.298 176.300 0.150 0.000 0.976 336 D CA 2.226 56.315 54.000 0.150 0.000 0.865 336 D CB -0.135 40.830 40.800 0.275 0.000 1.005 336 D HN 0.221 nan 8.370 nan 0.000 0.449 337 A N -1.398 121.598 122.820 0.292 0.000 2.945 337 A HA -0.131 4.189 4.320 0.000 0.000 0.263 337 A C 0.724 178.434 177.584 0.211 0.000 1.293 337 A CA 1.538 53.741 52.037 0.276 0.000 0.944 337 A CB -2.222 16.868 19.000 0.149 0.000 1.093 337 A HN 0.797 nan 8.150 nan 0.000 0.786 338 A N -1.005 121.856 122.820 0.069 0.000 2.654 338 A HA 0.567 4.887 4.320 0.000 0.000 0.345 338 A C -0.610 176.858 177.584 -0.194 0.000 1.368 338 A CA -0.183 51.827 52.037 -0.045 0.000 0.895 338 A CB -0.123 18.812 19.000 -0.108 0.000 1.143 338 A HN 0.896 nan 8.150 nan 0.000 0.490 339 W N 1.777 123.083 121.300 0.011 0.000 2.702 339 W HA 0.574 5.234 4.660 0.000 0.000 0.331 339 W C -2.171 174.353 176.519 0.007 0.000 1.049 339 W CA -1.812 55.539 57.345 0.009 0.000 1.230 339 W CB 0.988 30.450 29.460 0.003 0.000 1.408 339 W HN 0.446 nan 8.180 nan 0.000 0.492 340 P HA -0.006 nan 4.420 nan 0.000 0.269 340 P C 0.511 177.900 177.300 0.147 0.000 1.215 340 P CA 0.023 63.204 63.100 0.136 0.000 0.780 340 P CB 0.998 32.761 31.700 0.106 0.000 0.898 341 D N 1.603 122.064 120.400 0.102 0.000 2.120 341 D HA -0.246 4.394 4.640 0.000 0.000 0.191 341 D C 0.565 176.924 176.300 0.099 0.000 0.994 341 D CA 1.488 55.541 54.000 0.089 0.000 0.838 341 D CB 0.100 40.941 40.800 0.067 0.000 0.976 341 D HN 0.236 nan 8.370 nan 0.000 0.447 342 R N -1.903 118.668 120.500 0.119 0.000 3.954 342 R HA -0.123 4.217 4.340 0.000 0.000 0.422 342 R C 1.431 177.823 176.300 0.153 0.000 1.091 342 R CA 0.837 57.039 56.100 0.170 0.000 1.168 342 R CB -2.501 27.907 30.300 0.180 0.000 1.752 342 R HN 0.434 nan 8.270 nan 0.000 0.547 343 G N 0.946 109.805 108.800 0.099 0.000 2.418 343 G HA2 -0.264 3.697 3.960 0.000 0.000 0.217 343 G HA3 -0.264 3.697 3.960 0.000 0.000 0.217 343 G C 1.071 176.016 174.900 0.075 0.000 1.158 343 G CA 1.137 46.276 45.100 0.064 0.000 0.771 343 G HN 0.290 nan 8.290 nan 0.000 0.545 344 D N -0.523 119.942 120.400 0.108 0.000 2.117 344 D HA -0.112 4.529 4.640 0.000 0.000 0.197 344 D C 1.880 178.295 176.300 0.191 0.000 0.987 344 D CA 0.576 54.649 54.000 0.122 0.000 0.829 344 D CB -0.445 40.427 40.800 0.121 0.000 0.961 344 D HN 0.580 nan 8.370 nan 0.000 0.460 345 W N 1.026 122.347 121.300 0.034 0.000 2.381 345 W HA -0.217 4.443 4.660 0.000 0.000 0.301 345 W C 1.808 178.366 176.519 0.066 0.000 1.205 345 W CA 0.622 58.002 57.345 0.057 0.000 1.285 345 W CB -0.255 29.245 29.460 0.068 0.000 1.133 345 W HN -0.014 nan 8.180 nan 0.000 0.521 346 C N 0.880 120.124 119.300 -0.092 0.000 2.425 346 C HA -0.123 4.338 4.460 0.000 0.000 0.277 346 C C 3.182 178.064 174.990 -0.181 0.000 1.280 346 C CA 1.690 60.576 59.018 -0.220 0.000 1.744 346 C CB -1.556 26.119 27.740 -0.108 0.000 1.989 346 C HN 0.495 nan 8.230 nan 0.000 0.491 347 A N 0.490 123.257 122.820 -0.088 0.000 1.902 347 A HA -0.211 4.109 4.320 0.000 0.000 0.217 347 A C 2.070 179.598 177.584 -0.093 0.000 1.181 347 A CA 2.217 54.212 52.037 -0.071 0.000 0.623 347 A CB -0.480 18.505 19.000 -0.024 0.000 0.818 347 A HN 0.556 nan 8.150 nan 0.000 0.443 348 K N -0.135 120.209 120.400 -0.093 0.000 2.026 348 K HA -0.075 4.245 4.320 0.000 0.000 0.208 348 K C 1.706 178.167 176.600 -0.231 0.000 1.048 348 K CA 1.814 58.032 56.287 -0.115 0.000 0.929 348 K CB -0.660 31.850 32.500 0.016 0.000 0.713 348 K HN 0.166 nan 8.250 nan 0.000 0.439 349 V N 0.497 120.210 119.914 -0.333 0.000 2.287 349 V HA -0.298 3.822 4.120 0.000 0.000 0.248 349 V C 2.197 178.240 176.094 -0.086 0.000 1.053 349 V CA 2.410 64.608 62.300 -0.171 0.000 1.027 349 V CB -0.812 30.851 31.823 -0.267 0.000 0.646 349 V HN 0.494 nan 8.190 nan 0.000 0.447 350 T N -0.347 114.126 114.554 -0.135 0.000 2.635 350 T HA -0.227 4.123 4.350 0.000 0.000 0.267 350 T C 1.657 176.313 174.700 -0.073 0.000 1.040 350 T CA 1.950 63.989 62.100 -0.102 0.000 1.156 350 T CB -0.433 68.370 68.868 -0.108 0.000 0.863 350 T HN 0.507 nan 8.240 nan 0.000 0.430 351 D N 0.741 121.091 120.400 -0.083 0.000 2.144 351 D HA -0.005 4.635 4.640 0.000 0.000 0.199 351 D C 2.104 178.366 176.300 -0.065 0.000 0.984 351 D CA 0.662 54.622 54.000 -0.066 0.000 0.834 351 D CB -0.355 40.405 40.800 -0.066 0.000 0.955 351 D HN 0.330 nan 8.370 nan 0.000 0.465 352 L N 0.413 121.570 121.223 -0.109 0.000 2.056 352 L HA -0.088 4.252 4.340 0.000 0.000 0.207 352 L C 2.466 179.341 176.870 0.009 0.000 1.078 352 L CA 0.992 55.760 54.840 -0.121 0.000 0.749 352 L CB -0.312 41.523 42.059 -0.374 0.000 0.901 352 L HN -0.024 nan 8.230 nan 0.000 0.433 353 A N -0.399 122.456 122.820 0.058 0.000 1.902 353 A HA -0.277 4.043 4.320 0.000 0.000 0.217 353 A C 2.190 179.831 177.584 0.095 0.000 1.181 353 A CA 1.837 53.938 52.037 0.106 0.000 0.623 353 A CB -0.509 18.543 19.000 0.087 0.000 0.818 353 A HN 0.407 nan 8.150 nan 0.000 0.443 354 Q N 0.078 119.904 119.800 0.044 0.000 2.167 354 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 354 Q C 1.788 177.849 176.000 0.102 0.000 0.970 354 Q CA 2.122 57.956 55.803 0.052 0.000 0.855 354 Q CB -0.351 28.384 28.738 -0.005 0.000 0.911 354 Q HN 0.749 nan 8.270 nan 0.000 0.438 355 E N -0.440 119.799 120.200 0.065 0.000 2.072 355 E HA -0.180 4.171 4.350 0.000 0.000 0.191 355 E C 2.006 178.653 176.600 0.079 0.000 0.985 355 E CA 0.662 57.096 56.400 0.057 0.000 0.801 355 E CB -0.056 29.655 29.700 0.019 0.000 0.750 355 E HN 0.289 nan 8.360 nan 0.000 0.452 356 R N -0.339 120.220 120.500 0.098 0.000 2.080 356 R HA -0.212 4.129 4.340 0.000 0.000 0.236 356 R C 2.296 178.656 176.300 0.101 0.000 1.137 356 R CA 1.782 57.939 56.100 0.095 0.000 0.943 356 R CB -0.555 29.818 30.300 0.120 0.000 0.846 356 R HN 0.280 nan 8.270 nan 0.000 0.431 357 Y N 0.624 120.953 120.300 0.048 0.000 2.081 357 Y HA -0.315 4.235 4.550 0.001 0.000 0.280 357 Y C 2.203 178.134 175.900 0.052 0.000 1.163 357 Y CA 2.267 60.418 58.100 0.084 0.000 1.135 357 Y CB -0.410 38.124 38.460 0.124 0.000 0.970 357 Y HN 0.250 nan 8.280 nan 0.000 0.498 358 A N -1.275 121.691 122.820 0.243 0.000 1.969 358 A HA -0.186 4.135 4.320 0.000 0.000 0.218 358 A C 2.435 180.025 177.584 0.009 0.000 1.169 358 A CA 1.793 53.915 52.037 0.142 0.000 0.635 358 A CB -1.262 17.822 19.000 0.139 0.000 0.810 358 A HN 0.539 nan 8.150 nan 0.000 0.445 359 S N -0.116 115.577 115.700 -0.012 0.000 2.355 359 S HA -0.130 4.340 4.470 0.000 0.000 0.222 359 S C 1.941 176.461 174.600 -0.134 0.000 1.031 359 S CA 1.438 59.608 58.200 -0.050 0.000 0.993 359 S CB -0.455 62.731 63.200 -0.024 0.000 0.859 359 S HN 0.385 nan 8.310 nan 0.000 0.453 360 I N 2.475 122.901 120.570 -0.240 0.000 2.163 360 I HA -0.129 4.041 4.170 0.000 0.000 0.243 360 I C 2.945 178.723 176.117 -0.564 0.000 1.085 360 I CA 1.527 62.551 61.300 -0.460 0.000 1.347 360 I CB -2.101 35.418 38.000 -0.802 0.000 1.044 360 I HN 0.421 nan 8.210 nan 0.000 0.408 361 A N 0.948 123.492 122.820 -0.459 0.000 1.933 361 A HA -0.027 4.293 4.320 0.000 0.000 0.218 361 A C 2.462 179.994 177.584 -0.087 0.000 1.175 361 A CA 1.742 53.668 52.037 -0.185 0.000 0.628 361 A CB -0.709 18.308 19.000 0.028 0.000 0.814 361 A HN 0.431 nan 8.150 nan 0.000 0.444 362 A N -1.080 121.692 122.820 -0.079 0.000 2.168 362 A HA 0.015 4.335 4.320 0.000 0.000 0.215 362 A C 1.888 179.439 177.584 -0.055 0.000 1.152 362 A CA 1.358 53.373 52.037 -0.037 0.000 0.716 362 A CB -0.207 18.781 19.000 -0.019 0.000 0.794 362 A HN 0.498 nan 8.150 nan 0.000 0.465 363 K N -0.319 120.014 120.400 -0.112 0.000 2.355 363 K HA 0.173 4.493 4.320 0.000 0.000 0.198 363 K C -0.333 176.175 176.600 -0.153 0.000 1.039 363 K CA 0.026 56.255 56.287 -0.096 0.000 1.075 363 K CB 0.603 33.057 32.500 -0.077 0.000 0.870 363 K HN 0.291 nan 8.250 nan 0.000 0.540 364 S N 0.977 116.493 115.700 -0.307 0.000 2.438 364 S HA 0.228 4.698 4.470 0.000 0.000 0.293 364 S C -0.457 173.986 174.600 -0.262 0.000 1.141 364 S CA -0.488 57.310 58.200 -0.670 0.000 1.080 364 S CB 1.627 64.122 63.200 -1.176 0.000 0.978 364 S HN 0.058 nan 8.310 nan 0.000 0.479 365 S N 1.930 117.586 115.700 -0.073 0.000 2.513 365 S HA 0.518 4.988 4.470 0.000 0.000 0.299 365 S C 0.250 174.988 174.600 0.230 0.000 1.087 365 S CA -0.634 57.650 58.200 0.140 0.000 1.012 365 S CB 1.543 64.806 63.200 0.105 0.000 1.044 365 S HN 0.465 nan 8.310 nan 0.000 0.485 366 S N 2.230 118.072 115.700 0.238 0.000 2.650 366 S HA 0.211 4.681 4.470 0.000 0.000 0.240 366 S C 0.138 174.803 174.600 0.109 0.000 1.007 366 S CA -0.404 57.916 58.200 0.200 0.000 0.984 366 S CB -0.028 63.301 63.200 0.215 0.000 0.910 366 S HN 0.822 nan 8.310 nan 0.000 0.509 367 E N 1.113 121.379 120.200 0.110 0.000 2.415 367 E HA -0.014 4.337 4.350 0.000 0.000 0.260 367 E C 0.034 176.749 176.600 0.191 0.000 1.016 367 E CA 0.355 56.824 56.400 0.115 0.000 0.924 367 E CB 0.073 29.859 29.700 0.144 0.000 0.961 367 E HN 0.443 nan 8.360 nan 0.000 0.459 368 H N 0.599 119.686 119.070 0.028 0.000 3.641 368 H HA -0.249 4.308 4.556 0.001 0.000 0.193 368 H C -0.869 174.473 175.328 0.023 0.000 1.013 368 H CA 1.325 57.387 56.048 0.024 0.000 1.212 368 H CB -1.211 28.564 29.762 0.022 0.000 1.089 368 H HN 0.621 nan 8.280 nan 0.000 0.339 369 A N -0.290 122.589 122.820 0.097 0.000 2.580 369 A HA 0.478 4.798 4.320 0.000 0.000 0.301 369 A C -1.319 176.296 177.584 0.051 0.000 1.054 369 A CA -0.566 51.505 52.037 0.056 0.000 0.751 369 A CB 0.678 19.710 19.000 0.053 0.000 1.275 369 A HN 0.270 nan 8.150 nan 0.000 0.403 370 L N 2.584 123.819 121.223 0.020 0.000 2.433 370 L HA 0.348 4.688 4.340 0.000 0.000 0.275 370 L C 0.424 177.304 176.870 0.017 0.000 1.128 370 L CA 0.565 55.427 54.840 0.036 0.000 0.875 370 L CB -0.338 41.714 42.059 -0.011 0.000 1.171 370 L HN 0.775 nan 8.230 nan 0.000 0.463 371 H N 6.970 126.031 119.070 -0.016 0.000 2.803 371 H HA 0.172 4.728 4.556 0.000 0.000 0.330 371 H C -1.695 173.465 175.328 -0.281 0.000 1.057 371 H CA -0.903 55.037 56.048 -0.180 0.000 1.458 371 H CB 1.096 30.701 29.762 -0.262 0.000 1.470 371 H HN 0.553 nan 8.280 nan 0.000 0.560 372 P HA -0.226 nan 4.420 nan 0.000 0.216 372 P C 1.080 178.207 177.300 -0.289 0.000 1.150 372 P CA 1.273 64.073 63.100 -0.501 0.000 0.843 372 P CB -0.024 31.039 31.700 -1.063 0.000 0.787 373 F N -0.589 119.117 119.950 -0.406 0.000 2.113 373 F HA -0.222 4.305 4.527 0.001 0.000 0.297 373 F C 2.426 178.159 175.800 -0.111 0.000 1.103 373 F CA 1.487 59.337 58.000 -0.251 0.000 1.248 373 F CB -0.374 38.389 39.000 -0.396 0.000 0.999 373 F HN -0.031 nan 8.300 nan 0.000 0.475 374 H N 0.106 119.133 119.070 -0.072 0.000 2.387 374 H HA -0.084 4.472 4.556 0.001 0.000 0.299 374 H C 2.352 177.637 175.328 -0.072 0.000 1.099 374 H CA 1.174 57.151 56.048 -0.118 0.000 1.315 374 H CB -1.031 28.719 29.762 -0.019 0.000 1.380 374 H HN 0.416 nan 8.280 nan 0.000 0.513 375 A N 0.421 123.299 122.820 0.098 0.000 1.930 375 A HA -0.140 4.180 4.320 0.000 0.000 0.217 375 A C 2.697 180.384 177.584 0.173 0.000 1.175 375 A CA 1.651 53.787 52.037 0.165 0.000 0.627 375 A CB -0.517 18.500 19.000 0.029 0.000 0.815 375 A HN 0.357 nan 8.150 nan 0.000 0.443 376 S N -0.213 115.507 115.700 0.034 0.000 2.368 376 S HA -0.221 4.249 4.470 0.000 0.000 0.225 376 S C 2.076 176.652 174.600 -0.041 0.000 1.030 376 S CA 1.542 59.755 58.200 0.022 0.000 0.999 376 S CB -0.365 62.844 63.200 0.015 0.000 0.844 376 S HN 0.694 nan 8.310 nan 0.000 0.459 377 Q N 0.385 120.085 119.800 -0.167 0.000 2.135 377 Q HA -0.107 4.234 4.340 0.000 0.000 0.204 377 Q C 2.263 178.222 176.000 -0.068 0.000 0.981 377 Q CA 1.404 57.117 55.803 -0.150 0.000 0.856 377 Q CB -0.406 28.207 28.738 -0.209 0.000 0.902 377 Q HN 0.378 nan 8.270 nan 0.000 0.425 378 V N 0.879 120.768 119.914 -0.043 0.000 2.407 378 V HA -0.268 3.853 4.120 0.000 0.000 0.248 378 V C 2.068 178.107 176.094 -0.091 0.000 1.055 378 V CA 1.589 63.826 62.300 -0.106 0.000 1.049 378 V CB -0.437 31.265 31.823 -0.202 0.000 0.662 378 V HN 0.349 nan 8.190 nan 0.000 0.455 379 I N 0.400 120.957 120.570 -0.022 0.000 2.252 379 I HA -0.181 3.989 4.170 0.000 0.000 0.245 379 I C 2.679 178.824 176.117 0.048 0.000 1.102 379 I CA 1.314 62.629 61.300 0.026 0.000 1.385 379 I CB -0.627 37.424 38.000 0.084 0.000 1.064 379 I HN 0.265 nan 8.210 nan 0.000 0.414 380 A N 1.911 124.739 122.820 0.013 0.000 1.948 380 A HA -0.255 4.065 4.320 0.000 0.000 0.220 380 A C 2.193 179.753 177.584 -0.041 0.000 1.177 380 A CA 2.075 54.109 52.037 -0.006 0.000 0.636 380 A CB -0.694 18.301 19.000 -0.010 0.000 0.815 380 A HN 0.587 nan 8.150 nan 0.000 0.449 381 K N -1.464 118.883 120.400 -0.088 0.000 2.555 381 K HA -0.065 4.255 4.320 0.000 0.000 0.193 381 K C 0.824 177.238 176.600 -0.310 0.000 1.032 381 K CA 1.221 57.391 56.287 -0.195 0.000 1.004 381 K CB -0.257 32.098 32.500 -0.240 0.000 0.804 381 K HN 0.645 nan 8.250 nan 0.000 0.496 382 H N 0.412 119.431 119.070 -0.084 0.000 2.652 382 H HA 0.176 4.733 4.556 0.000 0.000 0.274 382 H C -0.224 175.071 175.328 -0.054 0.000 1.021 382 H CA -0.185 55.817 56.048 -0.076 0.000 1.187 382 H CB 0.839 30.546 29.762 -0.093 0.000 1.505 382 H HN -0.072 nan 8.280 nan 0.000 0.530 383 V N 4.155 124.091 119.914 0.037 0.000 2.432 383 V HA 0.127 4.247 4.120 0.000 0.000 0.271 383 V C 0.151 176.240 176.094 -0.009 0.000 1.046 383 V CA -0.069 62.242 62.300 0.018 0.000 0.945 383 V CB 1.044 32.872 31.823 0.009 0.000 0.992 383 V HN 0.489 nan 8.190 nan 0.000 0.471 384 D N 4.101 124.500 120.400 -0.003 0.000 3.103 384 D HA 0.402 5.043 4.640 0.000 0.000 0.337 384 D C 0.828 177.124 176.300 -0.007 0.000 1.356 384 D CA 0.002 53.993 54.000 -0.015 0.000 0.951 384 D CB 1.100 41.887 40.800 -0.022 0.000 1.438 384 D HN 0.376 nan 8.370 nan 0.000 0.562 385 A N -0.579 122.234 122.820 -0.012 0.000 2.076 385 A HA 0.194 4.514 4.320 0.000 0.000 0.220 385 A C 1.789 179.371 177.584 -0.004 0.000 1.160 385 A CA 1.888 53.920 52.037 -0.009 0.000 0.653 385 A CB -1.314 17.678 19.000 -0.013 0.000 0.801 385 A HN 0.678 nan 8.150 nan 0.000 0.455 386 G N -1.157 107.642 108.800 -0.001 0.000 3.314 386 G HA2 0.422 4.382 3.960 0.000 0.000 0.238 386 G HA3 0.422 4.382 3.960 0.000 0.000 0.238 386 G C -0.191 174.713 174.900 0.006 0.000 1.184 386 G CA 0.290 45.392 45.100 0.002 0.000 0.806 386 G HN 0.237 nan 8.290 nan 0.000 0.536 387 V N 0.145 120.064 119.914 0.009 0.000 2.686 387 V HA 0.438 4.558 4.120 0.000 0.000 0.306 387 V C -0.431 175.674 176.094 0.019 0.000 1.065 387 V CA -0.678 61.630 62.300 0.014 0.000 0.894 387 V CB 2.156 33.991 31.823 0.021 0.000 1.004 387 V HN 0.067 nan 8.190 nan 0.000 0.424 388 T N 3.876 118.438 114.554 0.013 0.000 2.795 388 T HA 0.584 4.934 4.350 0.000 0.000 0.282 388 T C -0.342 174.371 174.700 0.022 0.000 0.980 388 T CA -0.339 61.771 62.100 0.016 0.000 1.012 388 T CB 1.538 70.400 68.868 -0.011 0.000 0.936 388 T HN 0.360 nan 8.240 nan 0.000 0.457 389 V N 4.305 124.258 119.914 0.065 0.000 2.398 389 V HA 0.471 4.592 4.120 0.000 0.000 0.286 389 V C -0.161 175.910 176.094 -0.038 0.000 1.026 389 V CA -0.673 61.673 62.300 0.077 0.000 0.868 389 V CB 1.694 33.657 31.823 0.234 0.000 0.982 389 V HN 0.697 nan 8.190 nan 0.000 0.443 390 V N 3.894 123.741 119.914 -0.112 0.000 2.495 390 V HA 0.839 4.960 4.120 0.000 0.000 0.298 390 V C 0.223 176.166 176.094 -0.252 0.000 1.031 390 V CA -0.555 61.601 62.300 -0.240 0.000 0.871 390 V CB 1.676 33.372 31.823 -0.212 0.000 0.988 390 V HN 0.970 nan 8.190 nan 0.000 0.432 391 A N 3.166 125.747 122.820 -0.399 0.000 2.331 391 A HA 0.811 5.131 4.320 0.000 0.000 0.320 391 A C -0.878 176.424 177.584 -0.470 0.000 1.138 391 A CA -0.393 51.445 52.037 -0.331 0.000 0.790 391 A CB 1.367 20.195 19.000 -0.286 0.000 1.206 391 A HN 0.757 nan 8.150 nan 0.000 0.470 392 D N 0.669 120.896 120.400 -0.287 0.000 2.566 392 D HA 0.610 5.250 4.640 0.000 0.000 0.254 392 D C 0.655 177.004 176.300 0.081 0.000 1.090 392 D CA 0.756 54.590 54.000 -0.277 0.000 1.034 392 D CB 1.869 42.564 40.800 -0.174 0.000 1.434 392 D HN 1.443 nan 8.370 nan 0.000 0.509 393 G N 0.436 109.411 108.800 0.292 0.000 2.171 393 G HA2 0.180 4.140 3.960 0.000 0.000 0.238 393 G HA3 0.180 4.140 3.960 0.000 0.000 0.238 393 G C 0.895 175.984 174.900 0.314 0.000 1.039 393 G CA 0.935 46.208 45.100 0.289 0.000 0.759 393 G HN 1.484 nan 8.290 nan 0.000 0.501 394 A N -1.217 121.893 122.820 0.483 0.000 5.122 394 A HA -0.358 3.963 4.320 0.000 0.000 0.315 394 A C 2.005 179.473 177.584 -0.194 0.000 1.926 394 A CA 2.465 54.587 52.037 0.140 0.000 0.712 394 A CB -1.577 17.494 19.000 0.119 0.000 1.325 394 A HN 1.341 nan 8.150 nan 0.000 0.371 395 L N -0.376 120.795 121.223 -0.086 0.000 2.089 395 L HA -0.238 4.103 4.340 0.000 0.000 0.213 395 L C 2.807 179.708 176.870 0.051 0.000 1.079 395 L CA 2.454 57.249 54.840 -0.075 0.000 0.758 395 L CB -0.946 41.108 42.059 -0.008 0.000 0.891 395 L HN 0.877 nan 8.230 nan 0.000 0.433 396 T N -0.636 113.973 114.554 0.093 0.000 2.635 396 T HA -0.266 4.084 4.350 0.000 0.000 0.267 396 T C 1.624 176.430 174.700 0.176 0.000 1.040 396 T CA 2.220 64.411 62.100 0.152 0.000 1.156 396 T CB -0.461 68.480 68.868 0.122 0.000 0.863 396 T HN 0.589 nan 8.240 nan 0.000 0.430 397 Y N 0.923 121.280 120.300 0.095 0.000 2.395 397 Y HA 0.305 4.856 4.550 0.001 0.000 0.293 397 Y C 1.898 177.856 175.900 0.096 0.000 1.123 397 Y CA 0.207 58.346 58.100 0.064 0.000 1.227 397 Y CB -0.863 37.568 38.460 -0.048 0.000 1.012 397 Y HN 0.100 nan 8.280 nan 0.000 0.552 398 L N -1.064 119.882 121.223 -0.461 0.000 2.046 398 L HA -0.155 4.185 4.340 0.000 0.000 0.208 398 L C 2.172 178.979 176.870 -0.105 0.000 1.077 398 L CA 1.651 56.295 54.840 -0.327 0.000 0.747 398 L CB -0.662 41.099 42.059 -0.496 0.000 0.896 398 L HN 0.325 nan 8.230 nan 0.000 0.432 399 W N -0.357 120.948 121.300 0.009 0.000 2.381 399 W HA -0.188 4.472 4.660 0.000 0.000 0.301 399 W C 2.396 179.009 176.519 0.157 0.000 1.205 399 W CA 0.191 57.600 57.345 0.106 0.000 1.285 399 W CB -0.243 29.280 29.460 0.105 0.000 1.133 399 W HN 0.051 nan 8.180 nan 0.000 0.521 400 L N 1.043 122.484 121.223 0.363 0.000 2.079 400 L HA -0.240 4.101 4.340 0.000 0.000 0.210 400 L C 2.637 179.656 176.870 0.248 0.000 1.081 400 L CA 2.460 57.468 54.840 0.279 0.000 0.752 400 L CB -1.089 41.123 42.059 0.255 0.000 0.896 400 L HN 0.003 nan 8.230 nan 0.000 0.433 401 S N -1.489 114.369 115.700 0.263 0.000 2.419 401 S HA -0.168 4.302 4.470 0.000 0.000 0.235 401 S C 1.679 176.407 174.600 0.213 0.000 1.019 401 S CA 1.072 59.415 58.200 0.239 0.000 0.982 401 S CB -0.651 62.756 63.200 0.346 0.000 0.789 401 S HN 0.570 nan 8.310 nan 0.000 0.490 402 E N 1.215 121.577 120.200 0.270 0.000 2.418 402 E HA -0.012 4.338 4.350 0.000 0.000 0.197 402 E C 2.036 178.875 176.600 0.397 0.000 1.026 402 E CA 1.155 57.751 56.400 0.327 0.000 0.862 402 E CB -0.104 29.834 29.700 0.397 0.000 0.799 402 E HN 0.779 nan 8.360 nan 0.000 0.518 403 V N -3.295 116.798 119.914 0.299 0.000 3.643 403 V HA 0.121 4.242 4.120 0.000 0.000 0.280 403 V C 1.717 177.870 176.094 0.099 0.000 1.351 403 V CA 0.031 62.483 62.300 0.254 0.000 1.073 403 V CB 0.160 32.071 31.823 0.146 0.000 0.863 403 V HN -0.034 nan 8.190 nan 0.000 0.436 404 M N 0.630 120.249 119.600 0.031 0.000 2.419 404 M HA 0.107 4.587 4.480 0.000 0.000 0.264 404 M C 2.175 178.406 176.300 -0.115 0.000 1.082 404 M CA 1.134 56.358 55.300 -0.127 0.000 1.119 404 M CB -0.969 31.417 32.600 -0.357 0.000 1.398 404 M HN 0.489 nan 8.290 nan 0.000 0.453 405 S N 0.911 116.591 115.700 -0.034 0.000 2.387 405 S HA -0.073 4.397 4.470 0.000 0.000 0.226 405 S C 1.738 176.294 174.600 -0.073 0.000 1.026 405 S CA 0.912 59.086 58.200 -0.043 0.000 0.972 405 S CB -0.132 63.074 63.200 0.010 0.000 0.814 405 S HN 0.549 nan 8.310 nan 0.000 0.477 406 R N 1.404 121.859 120.500 -0.074 0.000 2.310 406 R HA 0.129 4.470 4.340 0.000 0.000 0.202 406 R C 0.565 176.802 176.300 -0.105 0.000 0.933 406 R CA 0.150 56.181 56.100 -0.115 0.000 1.054 406 R CB -0.589 29.600 30.300 -0.186 0.000 0.985 406 R HN 0.378 nan 8.270 nan 0.000 0.489 407 V N -1.389 118.471 119.914 -0.090 0.000 3.093 407 V HA 0.471 4.592 4.120 0.000 0.000 0.320 407 V C -0.502 175.543 176.094 -0.080 0.000 1.093 407 V CA -1.320 60.931 62.300 -0.081 0.000 1.016 407 V CB 1.834 33.617 31.823 -0.068 0.000 1.096 407 V HN 0.042 nan 8.190 nan 0.000 0.452 408 K N 2.270 122.632 120.400 -0.065 0.000 2.562 408 K HA 0.426 4.746 4.320 0.000 0.000 0.206 408 K C -2.833 173.745 176.600 -0.036 0.000 1.033 408 K CA -1.439 54.815 56.287 -0.055 0.000 1.029 408 K CB 1.150 33.618 32.500 -0.052 0.000 1.393 408 K HN 0.567 nan 8.250 nan 0.000 0.539 409 P HA 0.002 nan 4.420 nan 0.000 0.275 409 P C 0.703 178.011 177.300 0.013 0.000 1.228 409 P CA 0.000 63.102 63.100 0.002 0.000 0.786 409 P CB 1.282 32.997 31.700 0.026 0.000 0.927 410 G N 1.737 110.546 108.800 0.015 0.000 2.422 410 G HA2 0.139 4.099 3.960 0.000 0.000 0.218 410 G HA3 0.139 4.099 3.960 0.000 0.000 0.218 410 G C 0.662 175.574 174.900 0.021 0.000 1.140 410 G CA 0.676 45.782 45.100 0.011 0.000 0.775 410 G HN 0.817 nan 8.290 nan 0.000 0.545 411 G N -1.615 107.213 108.800 0.045 0.000 2.718 411 G HA2 0.488 4.448 3.960 0.000 0.000 0.295 411 G HA3 0.488 4.448 3.960 0.000 0.000 0.295 411 G C -2.138 172.854 174.900 0.154 0.000 1.421 411 G CA -0.731 44.408 45.100 0.064 0.000 0.902 411 G HN 0.177 nan 8.290 nan 0.000 0.501 412 F N 1.906 121.836 119.950 -0.033 0.000 2.617 412 F HA 0.657 5.185 4.527 0.000 0.000 0.325 412 F C -1.282 174.483 175.800 -0.058 0.000 1.179 412 F CA -1.185 56.792 58.000 -0.038 0.000 0.965 412 F CB 1.533 40.529 39.000 -0.008 0.000 1.232 412 F HN 0.321 nan 8.300 nan 0.000 0.461 413 L N 7.365 128.221 121.223 -0.611 0.000 2.345 413 L HA 0.515 4.856 4.340 0.000 0.000 0.274 413 L C -0.534 175.880 176.870 -0.759 0.000 0.999 413 L CA -0.570 53.948 54.840 -0.538 0.000 0.849 413 L CB 1.276 43.151 42.059 -0.307 0.000 1.220 413 L HN 0.679 nan 8.230 nan 0.000 0.422 414 C N 1.133 119.967 119.300 -0.777 0.000 2.871 414 C HA 0.514 4.974 4.460 0.000 0.000 0.351 414 C C 0.475 175.116 174.990 -0.582 0.000 1.338 414 C CA -0.469 58.036 59.018 -0.854 0.000 1.686 414 C CB 1.583 28.652 27.740 -1.118 0.000 2.135 414 C HN 0.798 nan 8.230 nan 0.000 0.476 415 H N -0.027 118.692 119.070 -0.586 0.000 2.871 415 H HA 0.380 4.937 4.556 0.001 0.000 0.355 415 H C 0.824 176.049 175.328 -0.172 0.000 1.092 415 H CA 1.192 57.016 56.048 -0.373 0.000 1.420 415 H CB 0.638 30.144 29.762 -0.426 0.000 1.400 415 H HN 0.831 nan 8.280 nan 0.000 0.604 416 G N 0.756 109.582 108.800 0.044 0.000 2.849 416 G HA2 -0.022 3.938 3.960 0.000 0.000 0.174 416 G HA3 -0.022 3.938 3.960 0.000 0.000 0.174 416 G C -0.090 174.894 174.900 0.139 0.000 1.370 416 G CA -0.397 44.712 45.100 0.016 0.000 1.040 416 G HN 0.579 nan 8.290 nan 0.000 0.582 417 Y N -0.253 120.063 120.300 0.027 0.000 2.274 417 Y HA 0.045 4.596 4.550 0.001 0.000 0.290 417 Y C 2.669 178.575 175.900 0.012 0.000 1.145 417 Y CA 0.054 58.168 58.100 0.023 0.000 1.203 417 Y CB -0.631 37.837 38.460 0.015 0.000 0.984 417 Y HN 0.108 nan 8.280 nan 0.000 0.533 418 L N -0.384 120.933 121.223 0.157 0.000 2.083 418 L HA -0.084 4.256 4.340 0.000 0.000 0.209 418 L C 1.346 178.204 176.870 -0.020 0.000 1.083 418 L CA 1.762 56.645 54.840 0.070 0.000 0.752 418 L CB -0.993 41.101 42.059 0.057 0.000 0.899 418 L HN 0.499 nan 8.230 nan 0.000 0.433 419 G N 0.736 109.485 108.800 -0.084 0.000 2.338 419 G HA2 -0.252 3.709 3.960 0.000 0.000 0.296 419 G HA3 -0.252 3.709 3.960 0.000 0.000 0.296 419 G C 0.042 174.693 174.900 -0.415 0.000 1.040 419 G CA 0.621 45.547 45.100 -0.290 0.000 1.004 419 G HN 0.400 nan 8.290 nan 0.000 0.509 420 S N 1.112 116.574 115.700 -0.396 0.000 2.438 420 S HA 0.594 5.064 4.470 0.000 0.000 0.316 420 S C 0.812 175.248 174.600 -0.273 0.000 1.084 420 S CA -0.794 57.234 58.200 -0.287 0.000 1.107 420 S CB 0.592 63.690 63.200 -0.171 0.000 0.981 420 S HN 0.360 nan 8.310 nan 0.000 0.466 421 M N 3.009 122.463 119.600 -0.243 0.000 2.284 421 M HA 0.200 4.681 4.480 0.000 0.000 0.351 421 M C 1.496 177.523 176.300 -0.454 0.000 1.443 421 M CA 0.790 56.018 55.300 -0.119 0.000 1.031 421 M CB -0.767 31.889 32.600 0.094 0.000 1.893 421 M HN 1.041 nan 8.290 nan 0.000 0.456 422 G N 2.007 110.677 108.800 -0.217 0.000 2.316 422 G HA2 -0.237 3.723 3.960 0.000 0.000 0.203 422 G HA3 -0.237 3.723 3.960 0.000 0.000 0.203 422 G C 0.519 175.295 174.900 -0.206 0.000 0.999 422 G CA 0.261 45.203 45.100 -0.264 0.000 0.649 422 G HN 0.758 nan 8.290 nan 0.000 0.489 423 V N 0.698 120.425 119.914 -0.311 0.000 3.026 423 V HA 0.314 4.434 4.120 0.000 0.000 0.265 423 V C 2.418 178.271 176.094 -0.402 0.000 1.121 423 V CA 2.276 64.211 62.300 -0.608 0.000 1.142 423 V CB -0.893 30.465 31.823 -0.776 0.000 0.730 423 V HN 1.022 nan 8.190 nan 0.000 0.503 424 G N -0.479 108.179 108.800 -0.237 0.000 2.418 424 G HA2 -0.242 3.718 3.960 0.000 0.000 0.217 424 G HA3 -0.242 3.718 3.960 0.000 0.000 0.217 424 G C 1.311 176.146 174.900 -0.108 0.000 1.158 424 G CA 1.063 46.036 45.100 -0.212 0.000 0.771 424 G HN 0.500 nan 8.290 nan 0.000 0.545 425 F N 2.330 122.178 119.950 -0.170 0.000 2.069 425 F HA 0.009 4.537 4.527 0.000 0.000 0.298 425 F C 2.710 178.429 175.800 -0.135 0.000 1.113 425 F CA 1.369 59.275 58.000 -0.157 0.000 1.214 425 F CB -0.743 38.162 39.000 -0.158 0.000 0.978 425 F HN 0.135 nan 8.300 nan 0.000 0.474 426 G N -1.440 107.461 108.800 0.170 0.000 2.418 426 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 426 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 426 G C 1.676 176.585 174.900 0.016 0.000 1.158 426 G CA 1.368 46.522 45.100 0.090 0.000 0.771 426 G HN 0.373 nan 8.290 nan 0.000 0.545 427 T N 1.768 116.304 114.554 -0.030 0.000 2.665 427 T HA -0.086 4.265 4.350 0.000 0.000 0.268 427 T C 2.794 177.439 174.700 -0.092 0.000 1.035 427 T CA 1.732 63.779 62.100 -0.089 0.000 1.151 427 T CB -0.409 68.366 68.868 -0.155 0.000 0.862 427 T HN 0.384 nan 8.240 nan 0.000 0.438 428 A N 0.885 123.655 122.820 -0.083 0.000 1.930 428 A HA 0.057 4.378 4.320 0.000 0.000 0.217 428 A C 2.300 179.868 177.584 -0.027 0.000 1.175 428 A CA 1.176 53.164 52.037 -0.081 0.000 0.627 428 A CB -0.853 18.068 19.000 -0.131 0.000 0.815 428 A HN 0.483 nan 8.150 nan 0.000 0.443 429 L N -0.464 120.773 121.223 0.022 0.000 2.012 429 L HA -0.119 4.222 4.340 0.000 0.000 0.210 429 L C 2.523 179.421 176.870 0.046 0.000 1.073 429 L CA 1.748 56.627 54.840 0.065 0.000 0.748 429 L CB -0.564 41.558 42.059 0.106 0.000 0.891 429 L HN 0.402 nan 8.230 nan 0.000 0.431 430 G N -1.169 107.590 108.800 -0.067 0.000 2.418 430 G HA2 -0.280 3.680 3.960 0.000 0.000 0.217 430 G HA3 -0.280 3.680 3.960 0.000 0.000 0.217 430 G C 1.633 176.554 174.900 0.036 0.000 1.158 430 G CA 0.687 45.693 45.100 -0.157 0.000 0.771 430 G HN 0.578 nan 8.290 nan 0.000 0.545 431 A N 0.297 123.107 122.820 -0.016 0.000 1.940 431 A HA -0.153 4.167 4.320 0.000 0.000 0.219 431 A C 2.312 179.903 177.584 0.012 0.000 1.176 431 A CA 2.353 54.380 52.037 -0.017 0.000 0.631 431 A CB -0.456 18.513 19.000 -0.052 0.000 0.814 431 A HN 0.434 nan 8.150 nan 0.000 0.446 432 Q N -0.173 119.646 119.800 0.031 0.000 2.119 432 Q HA -0.080 4.260 4.340 0.000 0.000 0.201 432 Q C 1.803 177.841 176.000 0.063 0.000 0.972 432 Q CA 1.887 57.715 55.803 0.041 0.000 0.847 432 Q CB -0.551 28.215 28.738 0.047 0.000 0.903 432 Q HN 0.353 nan 8.270 nan 0.000 0.433 433 V N 0.647 120.629 119.914 0.113 0.000 2.332 433 V HA -0.290 3.830 4.120 0.000 0.000 0.248 433 V C 2.260 178.399 176.094 0.074 0.000 1.055 433 V CA 1.886 64.251 62.300 0.108 0.000 1.038 433 V CB -1.257 30.686 31.823 0.201 0.000 0.651 433 V HN 0.525 nan 8.190 nan 0.000 0.450 434 A N -0.387 122.487 122.820 0.090 0.000 1.929 434 A HA -0.201 4.119 4.320 0.000 0.000 0.216 434 A C 1.976 179.530 177.584 -0.050 0.000 1.176 434 A CA 1.723 53.713 52.037 -0.077 0.000 0.628 434 A CB -0.532 18.290 19.000 -0.297 0.000 0.816 434 A HN 0.523 nan 8.150 nan 0.000 0.444 435 D N -0.324 120.064 120.400 -0.021 0.000 2.219 435 D HA -0.085 4.555 4.640 0.000 0.000 0.205 435 D C 1.687 177.990 176.300 0.006 0.000 0.970 435 D CA 0.593 54.586 54.000 -0.013 0.000 0.851 435 D CB -0.172 40.624 40.800 -0.006 0.000 0.943 435 D HN 0.243 nan 8.370 nan 0.000 0.488 436 L N 1.472 122.707 121.223 0.020 0.000 2.017 436 L HA -0.164 4.176 4.340 0.000 0.000 0.208 436 L C 2.239 179.130 176.870 0.035 0.000 1.073 436 L CA 1.602 56.461 54.840 0.033 0.000 0.745 436 L CB -0.876 41.210 42.059 0.045 0.000 0.894 436 L HN 0.190 nan 8.230 nan 0.000 0.432 437 E N -1.164 119.060 120.200 0.040 0.000 2.268 437 E HA -0.129 4.221 4.350 0.000 0.000 0.195 437 E C 1.717 178.331 176.600 0.023 0.000 0.995 437 E CA 1.065 57.492 56.400 0.045 0.000 0.836 437 E CB -0.296 29.447 29.700 0.072 0.000 0.763 437 E HN 0.435 nan 8.360 nan 0.000 0.491 438 A N 1.098 123.922 122.820 0.008 0.000 2.267 438 A HA 0.412 4.732 4.320 0.000 0.000 0.213 438 A C 1.732 179.318 177.584 0.004 0.000 1.192 438 A CA 0.415 52.452 52.037 -0.000 0.000 0.851 438 A CB -0.084 18.906 19.000 -0.016 0.000 0.881 438 A HN 0.379 nan 8.150 nan 0.000 0.494 439 G N -0.134 108.672 108.800 0.011 0.000 2.182 439 G HA2 -0.235 3.726 3.960 0.000 0.000 0.248 439 G HA3 -0.235 3.726 3.960 0.000 0.000 0.248 439 G C 0.069 174.975 174.900 0.010 0.000 1.042 439 G CA 0.325 45.433 45.100 0.013 0.000 0.775 439 G HN 0.644 nan 8.290 nan 0.000 0.501 440 R N -0.940 119.564 120.500 0.007 0.000 2.832 440 R HA 0.694 5.034 4.340 0.000 0.000 0.271 440 R C -0.097 176.209 176.300 0.009 0.000 0.996 440 R CA -1.133 54.970 56.100 0.005 0.000 0.977 440 R CB 1.141 31.440 30.300 -0.001 0.000 1.168 440 R HN 0.031 nan 8.270 nan 0.000 0.482 441 R N 0.757 121.261 120.500 0.008 0.000 2.428 441 R HA 0.336 4.676 4.340 0.000 0.000 0.294 441 R C -0.619 175.682 176.300 0.001 0.000 1.000 441 R CA -0.310 55.794 56.100 0.007 0.000 0.960 441 R CB 1.747 32.048 30.300 0.003 0.000 1.076 441 R HN 0.599 nan 8.270 nan 0.000 0.475 442 T N 3.850 118.404 114.554 -0.001 0.000 2.795 442 T HA 0.583 4.933 4.350 0.000 0.000 0.282 442 T C 0.429 175.117 174.700 -0.021 0.000 0.980 442 T CA -0.433 61.660 62.100 -0.012 0.000 1.012 442 T CB 1.045 69.904 68.868 -0.015 0.000 0.936 442 T HN 0.342 nan 8.240 nan 0.000 0.457 443 I N 3.478 124.031 120.570 -0.028 0.000 2.447 443 I HA 0.369 4.540 4.170 0.000 0.000 0.287 443 I C -0.924 175.158 176.117 -0.058 0.000 1.023 443 I CA -1.056 60.223 61.300 -0.036 0.000 1.083 443 I CB 1.847 39.835 38.000 -0.019 0.000 1.245 443 I HN 0.360 nan 8.210 nan 0.000 0.434 444 L N 8.547 129.712 121.223 -0.097 0.000 2.289 444 L HA 0.599 4.939 4.340 0.000 0.000 0.285 444 L C -0.786 176.022 176.870 -0.103 0.000 1.049 444 L CA -0.189 54.566 54.840 -0.142 0.000 0.804 444 L CB 1.540 43.447 42.059 -0.253 0.000 1.195 444 L HN 0.340 nan 8.230 nan 0.000 0.428 445 V N 4.861 124.727 119.914 -0.081 0.000 2.350 445 V HA 0.608 4.729 4.120 0.000 0.000 0.285 445 V C 0.102 176.163 176.094 -0.055 0.000 1.014 445 V CA -0.309 61.970 62.300 -0.035 0.000 0.831 445 V CB 1.018 32.860 31.823 0.031 0.000 1.000 445 V HN 0.926 nan 8.190 nan 0.000 0.433 446 T N 3.142 117.659 114.554 -0.062 0.000 2.865 446 T HA 0.761 5.112 4.350 0.000 0.000 0.294 446 T C 0.163 174.840 174.700 -0.039 0.000 1.119 446 T CA 0.122 62.189 62.100 -0.055 0.000 1.007 446 T CB 1.954 70.763 68.868 -0.098 0.000 1.225 446 T HN 0.864 nan 8.240 nan 0.000 0.515 447 G N 0.488 109.281 108.800 -0.012 0.000 2.477 447 G HA2 0.357 4.318 3.960 0.000 0.000 0.304 447 G HA3 0.357 4.318 3.960 0.000 0.000 0.304 447 G C 0.861 175.682 174.900 -0.133 0.000 1.175 447 G CA -0.148 44.931 45.100 -0.035 0.000 0.907 447 G HN 0.822 nan 8.290 nan 0.000 0.509 448 D N 0.052 120.334 120.400 -0.196 0.000 2.178 448 D HA -0.092 4.549 4.640 0.000 0.000 0.202 448 D C 2.039 178.095 176.300 -0.406 0.000 0.974 448 D CA 1.245 55.016 54.000 -0.382 0.000 0.841 448 D CB -0.593 40.071 40.800 -0.226 0.000 0.953 448 D HN 0.457 nan 8.370 nan 0.000 0.478 449 G N 0.682 109.251 108.800 -0.384 0.000 2.434 449 G HA2 -0.224 3.736 3.960 0.000 0.000 0.214 449 G HA3 -0.224 3.736 3.960 0.000 0.000 0.214 449 G C 1.875 176.677 174.900 -0.163 0.000 1.202 449 G CA 1.068 45.744 45.100 -0.707 0.000 0.788 449 G HN 0.339 nan 8.290 nan 0.000 0.539 450 S N -0.198 115.578 115.700 0.126 0.000 2.382 450 S HA -0.124 4.346 4.470 0.000 0.000 0.228 450 S C 2.324 177.088 174.600 0.274 0.000 1.027 450 S CA 1.026 59.425 58.200 0.331 0.000 0.991 450 S CB -0.367 62.962 63.200 0.216 0.000 0.823 450 S HN 0.162 nan 8.310 nan 0.000 0.469 451 V N 2.088 122.054 119.914 0.086 0.000 2.568 451 V HA -0.136 3.984 4.120 0.000 0.000 0.253 451 V C 2.205 178.417 176.094 0.196 0.000 1.072 451 V CA 1.952 64.325 62.300 0.121 0.000 1.084 451 V CB -1.077 30.733 31.823 -0.022 0.000 0.676 451 V HN 0.569 nan 8.190 nan 0.000 0.469 452 G N -2.020 106.857 108.800 0.128 0.000 2.470 452 G HA2 -0.268 3.692 3.960 0.000 0.000 0.220 452 G HA3 -0.268 3.692 3.960 0.000 0.000 0.220 452 G C 1.312 176.279 174.900 0.113 0.000 1.121 452 G CA 0.875 46.053 45.100 0.131 0.000 0.766 452 G HN 0.593 nan 8.290 nan 0.000 0.553 453 Y N 0.996 121.368 120.300 0.120 0.000 2.274 453 Y HA -0.025 4.525 4.550 0.000 0.000 0.290 453 Y C 2.051 177.949 175.900 -0.003 0.000 1.145 453 Y CA 1.579 59.725 58.100 0.077 0.000 1.203 453 Y CB 0.458 38.963 38.460 0.074 0.000 0.984 453 Y HN 0.151 nan 8.280 nan 0.000 0.533 454 S N -1.151 114.618 115.700 0.116 0.000 3.025 454 S HA 0.146 4.616 4.470 0.000 0.000 0.251 454 S C 1.099 175.489 174.600 -0.350 0.000 0.954 454 S CA -0.347 57.778 58.200 -0.126 0.000 1.092 454 S CB -0.111 62.972 63.200 -0.196 0.000 1.079 454 S HN 0.333 nan 8.310 nan 0.000 0.543 455 I N 2.070 122.597 120.570 -0.072 0.000 2.567 455 I HA -0.124 4.047 4.170 0.000 0.000 0.257 455 I C 2.181 178.247 176.117 -0.086 0.000 1.184 455 I CA 1.209 62.532 61.300 0.038 0.000 1.451 455 I CB -0.087 38.105 38.000 0.320 0.000 1.089 455 I HN 0.502 nan 8.210 nan 0.000 0.441 456 G N 0.011 108.707 108.800 -0.173 0.000 2.479 456 G HA2 -0.220 3.740 3.960 0.000 0.000 0.220 456 G HA3 -0.220 3.740 3.960 0.000 0.000 0.220 456 G C 1.369 175.908 174.900 -0.602 0.000 1.115 456 G CA 0.361 45.244 45.100 -0.360 0.000 0.757 456 G HN 0.364 nan 8.290 nan 0.000 0.560 457 E N 0.283 120.065 120.200 -0.696 0.000 2.409 457 E HA -0.030 4.320 4.350 0.000 0.000 0.198 457 E C 1.849 178.167 176.600 -0.470 0.000 1.024 457 E CA 0.065 56.058 56.400 -0.680 0.000 0.861 457 E CB -0.360 28.770 29.700 -0.949 0.000 0.788 457 E HN 0.630 nan 8.360 nan 0.000 0.521 458 F N 1.257 121.003 119.950 -0.339 0.000 2.202 458 F HA -0.234 4.293 4.527 0.000 0.000 0.301 458 F C 2.250 177.948 175.800 -0.170 0.000 1.082 458 F CA 1.294 59.251 58.000 -0.072 0.000 1.313 458 F CB -0.080 38.979 39.000 0.099 0.000 1.024 458 F HN 0.064 nan 8.300 nan 0.000 0.495 459 D N -0.393 119.797 120.400 -0.350 0.000 2.117 459 D HA -0.159 4.482 4.640 0.000 0.000 0.197 459 D C 2.016 178.290 176.300 -0.045 0.000 0.987 459 D CA 1.940 55.820 54.000 -0.200 0.000 0.829 459 D CB -0.139 40.442 40.800 -0.366 0.000 0.961 459 D HN 0.096 nan 8.370 nan 0.000 0.460 460 T N 0.184 114.688 114.554 -0.083 0.000 2.737 460 T HA -0.108 4.243 4.350 0.000 0.000 0.265 460 T C 1.768 176.498 174.700 0.049 0.000 1.038 460 T CA 0.603 62.696 62.100 -0.012 0.000 1.144 460 T CB -0.286 68.563 68.868 -0.033 0.000 0.866 460 T HN 0.057 nan 8.240 nan 0.000 0.434 461 L N 1.036 122.307 121.223 0.079 0.000 2.051 461 L HA -0.103 4.237 4.340 0.000 0.000 0.214 461 L C 2.590 179.540 176.870 0.134 0.000 1.076 461 L CA 1.380 56.303 54.840 0.138 0.000 0.758 461 L CB -1.192 41.001 42.059 0.223 0.000 0.890 461 L HN 0.159 nan 8.230 nan 0.000 0.433 462 V N -1.100 118.897 119.914 0.138 0.000 2.346 462 V HA -0.201 3.919 4.120 0.000 0.000 0.244 462 V C 2.601 178.750 176.094 0.093 0.000 1.037 462 V CA 1.298 63.672 62.300 0.125 0.000 1.029 462 V CB -0.489 31.421 31.823 0.144 0.000 0.663 462 V HN 0.384 nan 8.190 nan 0.000 0.454 463 R N 0.313 120.862 120.500 0.081 0.000 2.091 463 R HA -0.137 4.203 4.340 0.000 0.000 0.238 463 R C 2.051 178.388 176.300 0.061 0.000 1.136 463 R CA 1.165 57.304 56.100 0.065 0.000 0.959 463 R CB -0.198 30.135 30.300 0.055 0.000 0.856 463 R HN 0.351 nan 8.270 nan 0.000 0.437 464 K N 0.400 120.839 120.400 0.066 0.000 2.393 464 K HA 0.055 4.375 4.320 0.000 0.000 0.193 464 K C 0.063 176.703 176.600 0.068 0.000 1.026 464 K CA 0.184 56.510 56.287 0.063 0.000 1.064 464 K CB 0.409 32.949 32.500 0.066 0.000 0.833 464 K HN 0.223 nan 8.250 nan 0.000 0.521 465 Q N 0.710 120.555 119.800 0.076 0.000 2.459 465 Q HA -0.169 4.172 4.340 0.000 0.000 0.322 465 Q C -1.006 175.042 176.000 0.081 0.000 1.427 465 Q CA 0.271 56.120 55.803 0.077 0.000 0.861 465 Q CB -1.900 26.876 28.738 0.063 0.000 1.137 465 Q HN 0.243 nan 8.270 nan 0.000 0.394 466 L N 1.636 122.915 121.223 0.094 0.000 2.280 466 L HA 0.340 4.680 4.340 0.000 0.000 0.287 466 L C -1.446 175.485 176.870 0.102 0.000 1.023 466 L CA -1.936 52.960 54.840 0.093 0.000 0.819 466 L CB 0.841 42.960 42.059 0.100 0.000 1.212 466 L HN -0.013 nan 8.230 nan 0.000 0.420 467 P HA 0.021 nan 4.420 nan 0.000 0.254 467 P C -0.095 177.256 177.300 0.085 0.000 1.631 467 P CA -0.330 62.827 63.100 0.094 0.000 0.861 467 P CB 0.038 31.786 31.700 0.080 0.000 1.663 468 L N 0.695 121.970 121.223 0.087 0.000 2.490 468 L HA 0.131 4.471 4.340 0.000 0.000 0.274 468 L C -0.009 176.904 176.870 0.072 0.000 1.201 468 L CA 0.170 55.044 54.840 0.057 0.000 0.869 468 L CB -0.078 42.005 42.059 0.039 0.000 1.123 468 L HN -0.041 nan 8.230 nan 0.000 0.484 469 I N 5.689 126.278 120.570 0.032 0.000 2.321 469 I HA 0.267 4.437 4.170 0.000 0.000 0.291 469 I C -0.664 175.454 176.117 0.001 0.000 0.998 469 I CA -0.621 60.705 61.300 0.043 0.000 1.227 469 I CB 1.436 39.442 38.000 0.010 0.000 1.368 469 I HN 0.268 nan 8.210 nan 0.000 0.466 470 V N 8.014 127.954 119.914 0.043 0.000 2.350 470 V HA 0.401 4.521 4.120 0.000 0.000 0.276 470 V C 0.139 176.256 176.094 0.037 0.000 1.028 470 V CA -0.386 61.889 62.300 -0.042 0.000 0.860 470 V CB 1.250 32.997 31.823 -0.126 0.000 0.990 470 V HN 0.470 nan 8.190 nan 0.000 0.453 471 I N 6.245 126.811 120.570 -0.007 0.000 2.339 471 I HA 0.476 4.646 4.170 0.000 0.000 0.290 471 I C -0.402 175.691 176.117 -0.039 0.000 0.994 471 I CA -0.337 60.970 61.300 0.011 0.000 1.191 471 I CB 1.607 39.642 38.000 0.059 0.000 1.343 471 I HN 0.423 nan 8.210 nan 0.000 0.458 472 I N 6.631 127.172 120.570 -0.049 0.000 2.330 472 I HA 0.279 4.449 4.170 0.000 0.000 0.289 472 I C -0.131 175.916 176.117 -0.116 0.000 1.001 472 I CA -0.526 60.725 61.300 -0.082 0.000 1.193 472 I CB 1.116 39.068 38.000 -0.080 0.000 1.345 472 I HN 0.390 nan 8.210 nan 0.000 0.461 473 M N 5.650 125.187 119.600 -0.106 0.000 2.264 473 M HA 0.156 4.636 4.480 0.000 0.000 0.340 473 M C -0.169 176.081 176.300 -0.084 0.000 1.420 473 M CA 0.085 55.319 55.300 -0.110 0.000 1.254 473 M CB -0.269 32.291 32.600 -0.066 0.000 1.575 473 M HN 0.410 nan 8.290 nan 0.000 0.452 474 N N 3.995 122.651 118.700 -0.073 0.000 2.589 474 N HA 0.141 4.881 4.740 0.000 0.000 0.232 474 N C -0.226 175.281 175.510 -0.004 0.000 1.015 474 N CA -0.147 52.894 53.050 -0.015 0.000 0.931 474 N CB 0.393 38.925 38.487 0.075 0.000 1.150 474 N HN 0.444 nan 8.380 nan 0.000 0.512 475 N N 2.405 121.098 118.700 -0.010 0.000 2.321 475 N HA 0.036 4.777 4.740 0.000 0.000 0.242 475 N C -0.459 175.061 175.510 0.017 0.000 1.141 475 N CA -0.177 52.874 53.050 0.001 0.000 0.864 475 N CB 0.180 38.665 38.487 -0.004 0.000 1.100 475 N HN 0.304 nan 8.380 nan 0.000 0.510 476 Q N -0.774 119.041 119.800 0.025 0.000 2.461 476 Q HA -0.207 4.134 4.340 0.000 0.000 0.264 476 Q C -0.863 175.136 176.000 -0.002 0.000 1.085 476 Q CA 1.386 57.204 55.803 0.026 0.000 1.006 476 Q CB -2.769 25.991 28.738 0.037 0.000 1.437 476 Q HN 0.865 nan 8.270 nan 0.000 0.514 477 S N -3.104 112.571 115.700 -0.043 0.000 2.611 477 S HA 0.483 4.953 4.470 0.000 0.000 0.270 477 S C -1.175 173.387 174.600 -0.064 0.000 1.131 477 S CA -1.132 57.045 58.200 -0.039 0.000 0.826 477 S CB 0.395 63.633 63.200 0.064 0.000 1.095 477 S HN 0.278 nan 8.310 nan 0.000 0.461 478 W N 2.202 123.537 121.300 0.059 0.000 2.598 478 W HA 0.472 5.133 4.660 0.000 0.000 0.396 478 W C 1.516 178.052 176.519 0.028 0.000 1.142 478 W CA 0.119 57.495 57.345 0.051 0.000 1.568 478 W CB -0.156 29.338 29.460 0.057 0.000 1.637 478 W HN 1.064 nan 8.180 nan 0.000 0.417 479 G N 1.963 110.859 108.800 0.159 0.000 2.511 479 G HA2 -0.272 3.689 3.960 0.000 0.000 0.216 479 G HA3 -0.272 3.689 3.960 0.000 0.000 0.216 479 G C 1.706 176.562 174.900 -0.074 0.000 1.218 479 G CA 1.227 46.332 45.100 0.008 0.000 0.788 479 G HN 0.544 nan 8.290 nan 0.000 0.560 480 A N 0.574 123.367 122.820 -0.044 0.000 1.940 480 A HA -0.093 4.227 4.320 0.000 0.000 0.219 480 A C 2.632 180.283 177.584 0.111 0.000 1.176 480 A CA 3.072 55.094 52.037 -0.025 0.000 0.631 480 A CB -1.203 17.799 19.000 0.004 0.000 0.814 480 A HN 0.573 nan 8.150 nan 0.000 0.446 481 T N -1.510 113.119 114.554 0.124 0.000 2.821 481 T HA -0.081 4.270 4.350 0.000 0.000 0.267 481 T C 1.860 176.694 174.700 0.224 0.000 1.046 481 T CA 1.256 63.440 62.100 0.139 0.000 1.139 481 T CB -0.521 68.382 68.868 0.059 0.000 0.871 481 T HN 0.298 nan 8.240 nan 0.000 0.454 482 L N 0.208 121.563 121.223 0.220 0.000 2.046 482 L HA -0.118 4.222 4.340 0.000 0.000 0.208 482 L C 2.819 179.867 176.870 0.296 0.000 1.077 482 L CA 1.619 56.601 54.840 0.238 0.000 0.747 482 L CB -0.425 41.766 42.059 0.220 0.000 0.896 482 L HN 0.396 nan 8.230 nan 0.000 0.432 483 H N -1.737 117.418 119.070 0.142 0.000 2.353 483 H HA -0.252 4.305 4.556 0.001 0.000 0.300 483 H C 2.063 177.462 175.328 0.118 0.000 1.090 483 H CA 1.663 57.777 56.048 0.110 0.000 1.327 483 H CB -0.079 29.741 29.762 0.097 0.000 1.383 483 H HN 0.426 nan 8.280 nan 0.000 0.508 484 F N 2.178 122.221 119.950 0.155 0.000 2.095 484 F HA -0.269 4.258 4.527 0.001 0.000 0.298 484 F C 2.508 178.343 175.800 0.058 0.000 1.104 484 F CA 1.588 59.637 58.000 0.081 0.000 1.232 484 F CB -0.173 38.864 39.000 0.061 0.000 0.987 484 F HN 0.120 nan 8.300 nan 0.000 0.475 485 Q N -0.200 119.747 119.800 0.246 0.000 2.061 485 Q HA -0.273 4.067 4.340 0.000 0.000 0.204 485 Q C 2.218 178.214 176.000 -0.006 0.000 0.984 485 Q CA 2.107 57.981 55.803 0.117 0.000 0.846 485 Q CB -0.455 28.383 28.738 0.167 0.000 0.902 485 Q HN 0.616 nan 8.270 nan 0.000 0.421 486 Q N -0.082 119.728 119.800 0.016 0.000 2.046 486 Q HA -0.143 4.197 4.340 0.000 0.000 0.200 486 Q C 2.000 177.950 176.000 -0.083 0.000 0.975 486 Q CA 0.894 56.682 55.803 -0.024 0.000 0.836 486 Q CB 0.024 28.753 28.738 -0.016 0.000 0.896 486 Q HN 0.223 nan 8.270 nan 0.000 0.428 487 L N -0.275 120.878 121.223 -0.117 0.000 2.109 487 L HA -0.020 4.320 4.340 0.000 0.000 0.207 487 L C 2.011 178.751 176.870 -0.218 0.000 1.086 487 L CA 1.666 56.416 54.840 -0.149 0.000 0.760 487 L CB -0.903 41.079 42.059 -0.127 0.000 0.910 487 L HN 0.149 nan 8.230 nan 0.000 0.437 488 A N -2.347 120.246 122.820 -0.379 0.000 2.169 488 A HA 0.236 4.556 4.320 0.000 0.000 0.210 488 A C 1.880 179.290 177.584 -0.290 0.000 1.168 488 A CA 0.824 52.583 52.037 -0.463 0.000 0.813 488 A CB 0.163 18.547 19.000 -1.027 0.000 0.861 488 A HN 0.165 nan 8.150 nan 0.000 0.481 489 V N -1.874 117.916 119.914 -0.207 0.000 3.029 489 V HA 0.540 4.660 4.120 0.000 0.000 0.230 489 V C 0.979 177.037 176.094 -0.061 0.000 1.254 489 V CA 0.620 62.860 62.300 -0.100 0.000 1.276 489 V CB 0.088 31.884 31.823 -0.045 0.000 1.080 489 V HN 0.814 nan 8.190 nan 0.000 0.495 490 G N 0.235 109.004 108.800 -0.053 0.000 2.376 490 G HA2 0.310 4.270 3.960 0.000 0.000 0.302 490 G HA3 0.310 4.270 3.960 0.000 0.000 0.302 490 G C -2.738 172.151 174.900 -0.018 0.000 1.586 490 G CA 0.160 45.241 45.100 -0.032 0.000 0.907 490 G HN -0.062 nan 8.290 nan 0.000 0.655 491 P HA -0.091 nan 4.420 nan 0.000 0.220 491 P C 0.828 178.133 177.300 0.008 0.000 1.148 491 P CA 1.310 64.406 63.100 -0.006 0.000 0.803 491 P CB -0.079 31.615 31.700 -0.010 0.000 0.782 492 N N -0.884 117.821 118.700 0.009 0.000 2.380 492 N HA 0.127 4.867 4.740 0.000 0.000 0.255 492 N C 0.476 176.000 175.510 0.023 0.000 1.158 492 N CA -0.576 52.484 53.050 0.017 0.000 0.878 492 N CB 0.147 38.642 38.487 0.013 0.000 1.138 492 N HN -0.140 nan 8.380 nan 0.000 0.509 493 R N 1.417 121.933 120.500 0.027 0.000 2.767 493 R HA 0.139 4.479 4.340 0.000 0.000 0.377 493 R C -0.168 176.165 176.300 0.056 0.000 1.151 493 R CA -0.247 55.874 56.100 0.036 0.000 1.046 493 R CB 0.585 30.901 30.300 0.027 0.000 1.404 493 R HN 0.230 nan 8.270 nan 0.000 0.580 494 V N 0.354 120.304 119.914 0.060 0.000 2.383 494 V HA 0.626 4.746 4.120 0.000 0.000 0.275 494 V C -0.603 175.538 176.094 0.077 0.000 1.036 494 V CA 0.122 62.471 62.300 0.081 0.000 0.889 494 V CB 1.322 33.199 31.823 0.091 0.000 0.985 494 V HN 0.387 nan 8.190 nan 0.000 0.459 495 T N 2.580 117.185 114.554 0.085 0.000 2.956 495 T HA 0.679 5.029 4.350 0.000 0.000 0.312 495 T C 0.688 175.442 174.700 0.090 0.000 1.151 495 T CA -0.056 62.091 62.100 0.078 0.000 1.024 495 T CB 1.250 70.154 68.868 0.060 0.000 1.140 495 T HN 1.964 nan 8.240 nan 0.000 0.473 496 G N 1.463 110.323 108.800 0.099 0.000 2.168 496 G HA2 -0.318 3.642 3.960 0.000 0.000 0.257 496 G HA3 -0.318 3.642 3.960 0.000 0.000 0.257 496 G C 0.631 175.645 174.900 0.190 0.000 0.997 496 G CA 1.229 46.398 45.100 0.115 0.000 0.708 496 G HN 1.520 nan 8.290 nan 0.000 0.520 497 T N -3.363 111.325 114.554 0.224 0.000 2.975 497 T HA 0.404 4.754 4.350 0.000 0.000 0.257 497 T C 1.001 175.893 174.700 0.320 0.000 1.003 497 T CA -0.058 62.245 62.100 0.338 0.000 0.932 497 T CB 0.589 69.602 68.868 0.242 0.000 1.087 497 T HN 0.458 nan 8.240 nan 0.000 0.512 498 R N 1.012 121.633 120.500 0.202 0.000 2.490 498 R HA 0.599 4.939 4.340 0.000 0.000 0.278 498 R C -0.637 175.708 176.300 0.075 0.000 1.069 498 R CA -0.350 55.822 56.100 0.119 0.000 1.080 498 R CB 0.907 31.261 30.300 0.090 0.000 1.030 498 R HN 0.278 nan 8.270 nan 0.000 0.491 499 L N 2.813 124.037 121.223 0.003 0.000 2.551 499 L HA 0.241 4.581 4.340 0.000 0.000 0.248 499 L C -0.384 176.479 176.870 -0.011 0.000 1.509 499 L CA 0.044 54.859 54.840 -0.041 0.000 0.842 499 L CB 1.052 43.000 42.059 -0.185 0.000 1.087 499 L HN 0.590 nan 8.230 nan 0.000 0.512 500 E N 1.721 121.924 120.200 0.005 0.000 2.325 500 E HA 0.189 4.540 4.350 0.000 0.000 0.295 500 E C -0.482 176.108 176.600 -0.017 0.000 1.461 500 E CA -0.173 56.229 56.400 0.004 0.000 1.698 500 E CB 0.265 29.974 29.700 0.015 0.000 1.496 500 E HN 0.366 nan 8.360 nan 0.000 0.474 501 N N 0.001 118.676 118.700 -0.043 0.000 2.636 501 N HA 0.447 5.187 4.740 0.000 0.000 0.261 501 N C -1.306 174.093 175.510 -0.184 0.000 1.195 501 N CA 0.157 53.155 53.050 -0.087 0.000 0.902 501 N CB 1.783 40.231 38.487 -0.065 0.000 1.627 501 N HN 0.196 nan 8.380 nan 0.000 0.491 502 G N 0.725 109.381 108.800 -0.239 0.000 3.067 502 G HA2 0.097 4.057 3.960 0.000 0.000 0.686 502 G HA3 0.097 4.057 3.960 0.000 0.000 0.686 502 G C -0.947 173.629 174.900 -0.540 0.000 1.119 502 G CA -0.338 44.517 45.100 -0.407 0.000 0.790 502 G HN 0.838 nan 8.290 nan 0.000 0.605 503 S N 1.828 117.258 115.700 -0.450 0.000 2.464 503 S HA 0.554 5.024 4.470 0.000 0.000 0.313 503 S C 1.316 175.677 174.600 -0.400 0.000 1.078 503 S CA -0.432 57.510 58.200 -0.430 0.000 1.096 503 S CB 0.085 63.010 63.200 -0.457 0.000 1.032 503 S HN 0.577 nan 8.310 nan 0.000 0.498 504 Y N 3.686 123.973 120.300 -0.021 0.000 2.293 504 Y HA -0.115 4.435 4.550 0.000 0.000 0.291 504 Y C 2.615 178.538 175.900 0.039 0.000 1.137 504 Y CA 1.762 59.899 58.100 0.062 0.000 1.202 504 Y CB -0.544 38.008 38.460 0.154 0.000 0.990 504 Y HN 0.854 nan 8.280 nan 0.000 0.537 505 H N -2.295 116.865 119.070 0.150 0.000 2.389 505 H HA 0.050 4.606 4.556 0.000 0.000 0.299 505 H C 2.378 177.688 175.328 -0.031 0.000 1.081 505 H CA 1.195 57.276 56.048 0.056 0.000 1.345 505 H CB -1.059 28.761 29.762 0.096 0.000 1.393 505 H HN 0.330 nan 8.280 nan 0.000 0.520 506 G N 1.322 109.828 108.800 -0.491 0.000 2.442 506 G HA2 -0.193 3.767 3.960 0.000 0.000 0.219 506 G HA3 -0.193 3.767 3.960 0.000 0.000 0.219 506 G C 1.873 176.659 174.900 -0.190 0.000 1.141 506 G CA 1.390 46.294 45.100 -0.326 0.000 0.763 506 G HN 0.372 nan 8.290 nan 0.000 0.554 507 V N 1.476 121.312 119.914 -0.130 0.000 2.295 507 V HA -0.124 3.996 4.120 0.000 0.000 0.246 507 V C 3.320 179.407 176.094 -0.011 0.000 1.049 507 V CA 2.011 64.286 62.300 -0.041 0.000 1.024 507 V CB -0.870 31.026 31.823 0.122 0.000 0.648 507 V HN 0.472 nan 8.190 nan 0.000 0.447 508 A N 0.026 122.764 122.820 -0.137 0.000 1.902 508 A HA -0.119 4.202 4.320 0.000 0.000 0.217 508 A C 2.431 179.923 177.584 -0.153 0.000 1.181 508 A CA 2.077 53.866 52.037 -0.413 0.000 0.623 508 A CB -0.792 17.610 19.000 -0.995 0.000 0.818 508 A HN 0.574 nan 8.150 nan 0.000 0.443 509 A N -0.098 122.647 122.820 -0.124 0.000 1.908 509 A HA 0.130 4.451 4.320 0.000 0.000 0.218 509 A C 2.463 180.006 177.584 -0.069 0.000 1.181 509 A CA 2.085 54.074 52.037 -0.080 0.000 0.627 509 A CB -0.971 17.979 19.000 -0.083 0.000 0.818 509 A HN 1.115 nan 8.150 nan 0.000 0.445 510 A N -1.772 120.973 122.820 -0.125 0.000 2.015 510 A HA 0.071 4.391 4.320 0.000 0.000 0.219 510 A C 1.652 179.119 177.584 -0.195 0.000 1.163 510 A CA 1.202 53.123 52.037 -0.193 0.000 0.646 510 A CB -0.602 18.220 19.000 -0.298 0.000 0.806 510 A HN 0.448 nan 8.150 nan 0.000 0.448 511 F N -0.937 119.012 119.950 -0.001 0.000 2.797 511 F HA 0.329 4.856 4.527 0.000 0.000 0.302 511 F C 1.865 177.692 175.800 0.044 0.000 1.130 511 F CA 0.442 58.469 58.000 0.046 0.000 1.387 511 F CB 0.117 39.189 39.000 0.120 0.000 1.107 511 F HN 0.362 nan 8.300 nan 0.000 0.577 512 G N -0.118 108.775 108.800 0.155 0.000 2.159 512 G HA2 -0.032 3.929 3.960 0.000 0.000 0.227 512 G HA3 -0.032 3.929 3.960 0.000 0.000 0.227 512 G C 0.218 175.172 174.900 0.090 0.000 0.986 512 G CA -0.172 44.989 45.100 0.102 0.000 0.651 512 G HN 0.601 nan 8.290 nan 0.000 0.523 513 A N -0.028 122.841 122.820 0.082 0.000 2.295 513 A HA 0.660 4.980 4.320 0.000 0.000 0.318 513 A C -0.060 177.525 177.584 0.002 0.000 1.134 513 A CA -0.326 51.750 52.037 0.066 0.000 0.827 513 A CB 0.634 19.687 19.000 0.088 0.000 1.136 513 A HN 0.154 nan 8.150 nan 0.000 0.493 514 D N 0.957 121.375 120.400 0.030 0.000 2.417 514 D HA 0.416 5.056 4.640 0.000 0.000 0.250 514 D C 0.371 176.635 176.300 -0.061 0.000 1.166 514 D CA 1.105 55.085 54.000 -0.033 0.000 0.881 514 D CB 1.066 41.891 40.800 0.041 0.000 1.164 514 D HN 0.668 nan 8.370 nan 0.000 0.467 515 G N 1.635 110.333 108.800 -0.171 0.000 2.470 515 G HA2 0.544 4.504 3.960 0.000 0.000 0.320 515 G HA3 0.544 4.504 3.960 0.000 0.000 0.320 515 G C -1.337 173.456 174.900 -0.179 0.000 1.245 515 G CA -0.530 44.536 45.100 -0.056 0.000 0.935 515 G HN 0.319 nan 8.290 nan 0.000 0.476 516 Y N -0.133 120.209 120.300 0.070 0.000 2.536 516 Y HA 0.591 5.142 4.550 0.000 0.000 0.347 516 Y C -0.134 175.695 175.900 -0.117 0.000 1.000 516 Y CA -0.944 57.158 58.100 0.003 0.000 1.051 516 Y CB 2.888 41.361 38.460 0.021 0.000 1.259 516 Y HN 0.708 nan 8.280 nan 0.000 0.468 517 H N 1.323 120.301 119.070 -0.153 0.000 2.782 517 H HA 0.716 5.272 4.556 0.000 0.000 0.347 517 H C -1.529 173.740 175.328 -0.099 0.000 1.038 517 H CA -0.796 55.076 56.048 -0.293 0.000 1.255 517 H CB 1.342 30.694 29.762 -0.684 0.000 1.623 517 H HN 0.563 nan 8.280 nan 0.000 0.525 518 V N 2.061 121.686 119.914 -0.482 0.000 3.160 518 V HA 0.586 4.706 4.120 0.000 0.000 0.310 518 V C -0.703 175.160 176.094 -0.386 0.000 1.181 518 V CA -0.475 61.657 62.300 -0.280 0.000 1.047 518 V CB 2.421 34.185 31.823 -0.097 0.000 1.068 518 V HN 0.960 nan 8.190 nan 0.000 0.441 519 D N -0.433 119.855 120.400 -0.187 0.000 2.583 519 D HA 0.260 4.900 4.640 0.000 0.000 0.282 519 D C 0.038 176.297 176.300 -0.069 0.000 1.485 519 D CA 0.744 54.657 54.000 -0.145 0.000 0.834 519 D CB -0.071 40.675 40.800 -0.090 0.000 1.258 519 D HN 1.181 nan 8.370 nan 0.000 0.470 520 S N -1.766 113.914 115.700 -0.034 0.000 2.656 520 S HA 0.477 4.947 4.470 0.000 0.000 0.273 520 S C 0.800 175.432 174.600 0.054 0.000 1.168 520 S CA -0.246 57.955 58.200 0.001 0.000 0.817 520 S CB 1.351 64.546 63.200 -0.010 0.000 1.146 520 S HN -0.186 nan 8.310 nan 0.000 0.475 521 V N 1.324 121.261 119.914 0.039 0.000 2.287 521 V HA -0.167 3.953 4.120 0.000 0.000 0.248 521 V C 2.764 178.873 176.094 0.027 0.000 1.053 521 V CA 2.578 64.905 62.300 0.045 0.000 1.027 521 V CB -1.172 30.634 31.823 -0.028 0.000 0.646 521 V HN 1.032 nan 8.190 nan 0.000 0.447 522 E N 0.924 121.124 120.200 0.001 0.000 2.031 522 E HA -0.236 4.114 4.350 0.000 0.000 0.193 522 E C 2.313 178.915 176.600 0.003 0.000 0.994 522 E CA 1.960 58.354 56.400 -0.011 0.000 0.800 522 E CB -0.187 29.503 29.700 -0.016 0.000 0.752 522 E HN 0.739 nan 8.360 nan 0.000 0.447 523 S N 0.170 115.885 115.700 0.025 0.000 2.383 523 S HA -0.162 4.309 4.470 0.000 0.000 0.227 523 S C 1.930 176.575 174.600 0.076 0.000 1.026 523 S CA 0.842 59.063 58.200 0.035 0.000 0.981 523 S CB -0.626 62.589 63.200 0.025 0.000 0.818 523 S HN 0.401 nan 8.310 nan 0.000 0.472 524 F N 2.791 122.688 119.950 -0.089 0.000 2.102 524 F HA 0.019 4.546 4.527 0.001 0.000 0.298 524 F C 2.702 178.438 175.800 -0.107 0.000 1.105 524 F CA 0.881 58.816 58.000 -0.108 0.000 1.239 524 F CB -1.202 37.742 39.000 -0.094 0.000 0.991 524 F HN 0.299 nan 8.300 nan 0.000 0.474 525 S N 0.042 115.640 115.700 -0.171 0.000 2.359 525 S HA -0.197 4.273 4.470 0.000 0.000 0.224 525 S C 2.347 176.838 174.600 -0.183 0.000 1.035 525 S CA 1.503 59.555 58.200 -0.247 0.000 1.018 525 S CB -0.857 62.261 63.200 -0.137 0.000 0.876 525 S HN 0.525 nan 8.310 nan 0.000 0.448 526 A N 1.100 123.855 122.820 -0.110 0.000 1.902 526 A HA 0.191 4.512 4.320 0.000 0.000 0.217 526 A C 2.415 179.910 177.584 -0.149 0.000 1.181 526 A CA 1.856 53.837 52.037 -0.094 0.000 0.623 526 A CB -1.267 17.708 19.000 -0.042 0.000 0.818 526 A HN 0.705 nan 8.150 nan 0.000 0.443 527 A N -0.570 122.143 122.820 -0.178 0.000 1.902 527 A HA -0.009 4.311 4.320 0.000 0.000 0.217 527 A C 2.120 179.404 177.584 -0.501 0.000 1.181 527 A CA 1.719 53.523 52.037 -0.388 0.000 0.623 527 A CB -0.581 18.215 19.000 -0.340 0.000 0.818 527 A HN 0.647 nan 8.150 nan 0.000 0.443 528 L N -0.211 120.778 121.223 -0.389 0.000 2.056 528 L HA -0.009 4.332 4.340 0.000 0.000 0.207 528 L C 2.658 179.282 176.870 -0.411 0.000 1.078 528 L CA 2.145 56.728 54.840 -0.429 0.000 0.749 528 L CB -0.930 40.785 42.059 -0.574 0.000 0.901 528 L HN 0.336 nan 8.230 nan 0.000 0.433 529 A N -1.088 121.541 122.820 -0.319 0.000 1.908 529 A HA -0.296 4.024 4.320 0.000 0.000 0.218 529 A C 2.338 179.794 177.584 -0.213 0.000 1.181 529 A CA 1.912 53.827 52.037 -0.204 0.000 0.627 529 A CB -0.708 18.239 19.000 -0.087 0.000 0.818 529 A HN 0.658 nan 8.150 nan 0.000 0.445 530 Q N -0.814 118.843 119.800 -0.238 0.000 2.119 530 Q HA -0.071 4.270 4.340 0.000 0.000 0.201 530 Q C 2.175 177.968 176.000 -0.345 0.000 0.972 530 Q CA 1.280 56.922 55.803 -0.269 0.000 0.847 530 Q CB -0.288 28.365 28.738 -0.142 0.000 0.903 530 Q HN 0.630 nan 8.270 nan 0.000 0.433 531 A N 0.457 123.110 122.820 -0.278 0.000 1.898 531 A HA -0.133 4.187 4.320 0.000 0.000 0.216 531 A C 1.879 179.395 177.584 -0.112 0.000 1.181 531 A CA 0.842 52.795 52.037 -0.140 0.000 0.620 531 A CB -0.474 18.430 19.000 -0.160 0.000 0.819 531 A HN 0.390 nan 8.150 nan 0.000 0.442 532 L N -0.458 120.662 121.223 -0.171 0.000 2.131 532 L HA -0.098 4.242 4.340 0.000 0.000 0.210 532 L C 2.782 179.604 176.870 -0.081 0.000 1.092 532 L CA 1.800 56.567 54.840 -0.121 0.000 0.759 532 L CB -1.442 40.519 42.059 -0.164 0.000 0.903 532 L HN 0.443 nan 8.230 nan 0.000 0.435 533 A N -2.249 120.481 122.820 -0.151 0.000 2.167 533 A HA -0.071 4.249 4.320 0.000 0.000 0.214 533 A C 0.502 178.096 177.584 0.018 0.000 1.151 533 A CA 0.465 52.433 52.037 -0.115 0.000 0.735 533 A CB -0.532 18.353 19.000 -0.192 0.000 0.802 533 A HN 0.383 nan 8.150 nan 0.000 0.467 534 H N -0.736 118.353 119.070 0.032 0.000 2.472 534 H HA 0.304 4.860 4.556 0.000 0.000 0.338 534 H C -0.632 174.723 175.328 0.044 0.000 1.133 534 H CA -1.353 54.722 56.048 0.045 0.000 1.216 534 H CB 0.857 30.660 29.762 0.069 0.000 1.497 534 H HN 0.219 nan 8.280 nan 0.000 0.500 535 N N 2.946 121.749 118.700 0.172 0.000 3.124 535 N HA 0.114 4.855 4.740 0.000 0.000 0.284 535 N C -0.808 174.764 175.510 0.103 0.000 1.209 535 N CA -0.146 52.969 53.050 0.109 0.000 1.149 535 N CB -0.272 38.261 38.487 0.077 0.000 1.434 535 N HN 0.498 nan 8.380 nan 0.000 0.529 536 R N 0.673 121.249 120.500 0.127 0.000 2.664 536 R HA 0.396 4.736 4.340 0.000 0.000 0.266 536 R C -2.733 173.654 176.300 0.145 0.000 1.046 536 R CA -1.384 54.791 56.100 0.125 0.000 0.885 536 R CB 1.885 32.258 30.300 0.122 0.000 1.254 536 R HN 0.247 nan 8.270 nan 0.000 0.465 537 P HA 0.327 nan 4.420 nan 0.000 0.272 537 P C -1.391 176.038 177.300 0.214 0.000 1.223 537 P CA -0.263 62.951 63.100 0.191 0.000 0.784 537 P CB 1.319 33.157 31.700 0.229 0.000 0.923 538 A N 1.098 124.064 122.820 0.244 0.000 2.606 538 A HA 0.573 4.893 4.320 0.000 0.000 0.293 538 A C -1.432 176.323 177.584 0.284 0.000 1.082 538 A CA -0.538 51.656 52.037 0.261 0.000 0.685 538 A CB 1.302 20.488 19.000 0.310 0.000 1.284 538 A HN 0.651 nan 8.150 nan 0.000 0.408 539 C N 2.073 121.520 119.300 0.246 0.000 2.369 539 C HA 0.800 5.261 4.460 0.000 0.000 0.322 539 C C -0.985 174.175 174.990 0.284 0.000 1.258 539 C CA -0.530 58.632 59.018 0.240 0.000 1.487 539 C CB -1.047 26.729 27.740 0.060 0.000 2.165 539 C HN 0.591 nan 8.230 nan 0.000 0.483 540 I N 6.158 126.856 120.570 0.213 0.000 2.382 540 I HA 0.338 4.508 4.170 0.000 0.000 0.285 540 I C 0.059 176.218 176.117 0.070 0.000 1.007 540 I CA 0.011 61.407 61.300 0.161 0.000 1.142 540 I CB 0.958 39.018 38.000 0.099 0.000 1.289 540 I HN 0.699 nan 8.210 nan 0.000 0.453 541 N N 6.175 124.921 118.700 0.077 0.000 2.437 541 N HA 0.365 5.105 4.740 0.000 0.000 0.243 541 N C -1.142 174.260 175.510 -0.179 0.000 1.041 541 N CA -0.417 52.680 53.050 0.078 0.000 0.940 541 N CB 1.003 39.713 38.487 0.371 0.000 1.133 541 N HN 0.289 nan 8.380 nan 0.000 0.506 542 V N 2.821 122.590 119.914 -0.242 0.000 2.328 542 V HA 0.386 4.506 4.120 0.000 0.000 0.278 542 V C 0.433 176.368 176.094 -0.264 0.000 1.021 542 V CA -1.024 61.035 62.300 -0.402 0.000 0.838 542 V CB 0.816 32.264 31.823 -0.625 0.000 0.999 542 V HN 0.714 nan 8.190 nan 0.000 0.447 543 A N 5.303 127.961 122.820 -0.269 0.000 2.451 543 A HA 0.598 4.918 4.320 0.000 0.000 0.266 543 A C -0.248 177.263 177.584 -0.123 0.000 1.119 543 A CA 0.073 52.038 52.037 -0.121 0.000 0.786 543 A CB 0.270 19.230 19.000 -0.067 0.000 1.061 543 A HN 0.701 nan 8.150 nan 0.000 0.503 544 V N 1.895 121.755 119.914 -0.090 0.000 3.007 544 V HA 0.652 4.773 4.120 0.000 0.000 0.311 544 V C 0.602 176.651 176.094 -0.075 0.000 1.120 544 V CA -0.318 61.920 62.300 -0.103 0.000 0.980 544 V CB 2.038 33.779 31.823 -0.138 0.000 1.033 544 V HN 1.274 nan 8.190 nan 0.000 0.429 545 A N 2.325 125.087 122.820 -0.097 0.000 2.445 545 A HA 0.469 4.790 4.320 0.000 0.000 0.242 545 A C 0.546 178.095 177.584 -0.058 0.000 1.075 545 A CA 0.174 52.167 52.037 -0.073 0.000 0.777 545 A CB 0.359 19.300 19.000 -0.098 0.000 1.013 545 A HN 0.957 nan 8.150 nan 0.000 0.493 546 L N 0.388 121.617 121.223 0.011 0.000 2.253 546 L HA 0.127 4.467 4.340 0.000 0.000 0.205 546 L C 1.433 178.420 176.870 0.194 0.000 1.078 546 L CA 1.650 56.540 54.840 0.083 0.000 0.805 546 L CB -0.463 41.655 42.059 0.098 0.000 0.963 546 L HN 0.741 nan 8.230 nan 0.000 0.459 547 D N 0.283 120.756 120.400 0.122 0.000 2.123 547 D HA -0.073 4.567 4.640 0.000 0.000 0.196 547 D C -1.233 175.148 176.300 0.134 0.000 0.992 547 D CA 0.826 54.894 54.000 0.114 0.000 0.833 547 D CB -1.744 39.083 40.800 0.046 0.000 0.954 547 D HN 0.326 nan 8.370 nan 0.000 0.455 548 P HA 0.053 nan 4.420 nan 0.000 0.265 548 P C -0.190 177.387 177.300 0.461 0.000 1.187 548 P CA 0.324 63.554 63.100 0.216 0.000 0.766 548 P CB 0.495 32.165 31.700 -0.051 0.000 0.820 549 I N 5.168 125.957 120.570 0.364 0.000 2.330 549 I HA 0.275 4.446 4.170 0.000 0.000 0.289 549 I C -1.958 174.133 176.117 -0.043 0.000 1.001 549 I CA -2.482 58.942 61.300 0.207 0.000 1.193 549 I CB 1.535 39.564 38.000 0.048 0.000 1.345 549 I HN 0.186 nan 8.210 nan 0.000 0.461 550 P HA 0.209 nan 4.420 nan 0.000 0.275 550 P C -2.304 174.653 177.300 -0.573 0.000 1.227 550 P CA -1.523 60.829 63.100 -1.248 0.000 0.781 550 P CB 0.530 31.209 31.700 -1.702 0.000 0.906 551 P HA -0.219 nan 4.420 nan 0.000 0.218 551 P C 1.373 178.516 177.300 -0.261 0.000 1.154 551 P CA 1.678 64.611 63.100 -0.279 0.000 0.872 551 P CB 0.020 31.581 31.700 -0.230 0.000 0.790 552 E N -0.683 119.356 120.200 -0.269 0.000 2.204 552 E HA -0.186 4.164 4.350 0.000 0.000 0.194 552 E C 1.959 178.466 176.600 -0.155 0.000 0.989 552 E CA 0.743 57.029 56.400 -0.191 0.000 0.824 552 E CB -0.383 29.239 29.700 -0.129 0.000 0.756 552 E HN 0.501 nan 8.360 nan 0.000 0.477 553 E N 0.820 120.911 120.200 -0.182 0.000 2.150 553 E HA -0.119 4.231 4.350 0.000 0.000 0.193 553 E C 1.764 178.333 176.600 -0.053 0.000 0.985 553 E CA 0.353 56.694 56.400 -0.098 0.000 0.814 553 E CB -0.045 29.611 29.700 -0.074 0.000 0.752 553 E HN 0.192 nan 8.360 nan 0.000 0.466 554 L N 1.390 122.562 121.223 -0.085 0.000 2.642 554 L HA -0.020 4.321 4.340 0.000 0.000 0.236 554 L C 0.613 177.450 176.870 -0.055 0.000 1.169 554 L CA 0.137 54.937 54.840 -0.066 0.000 0.851 554 L CB -0.496 41.515 42.059 -0.080 0.000 0.968 554 L HN 0.186 nan 8.230 nan 0.000 0.453 555 I N 0.000 120.537 120.570 -0.055 0.000 2.984 555 I HA 0.000 4.170 4.170 0.000 0.000 0.288 555 I CA 0.000 61.283 61.300 -0.029 0.000 1.566 555 I CB 0.000 37.941 38.000 -0.099 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494