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 2uz1_1_B 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 EELII 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 0.000 177.595 177.584 0.018 0.000 1.274 2 A CA 0.000 52.047 52.037 0.016 0.000 0.836 2 A CB 0.000 19.008 19.000 0.014 0.000 0.831 3 M N 1.954 121.563 119.600 0.015 0.000 2.200 3 M HA 0.507 5.005 4.480 0.031 0.000 0.355 3 M C -0.021 176.293 176.300 0.023 0.000 1.283 3 M CA -0.068 55.241 55.300 0.016 0.000 1.124 3 M CB -0.155 32.451 32.600 0.011 0.000 1.625 3 M HN 0.574 nan 8.290 nan 0.000 0.463 4 I N -0.344 120.242 120.570 0.027 0.000 2.934 4 I HA 0.731 4.920 4.170 0.031 0.000 0.306 4 I C 0.261 176.400 176.117 0.037 0.000 1.110 4 I CA -0.935 60.387 61.300 0.037 0.000 1.019 4 I CB 2.231 40.258 38.000 0.046 0.000 1.227 4 I HN 0.659 nan 8.210 nan 0.000 0.434 5 T N 0.544 115.126 114.554 0.047 0.000 2.816 5 T HA 0.364 4.732 4.350 0.031 0.000 0.282 5 T C 1.240 175.970 174.700 0.049 0.000 0.993 5 T CA -0.044 62.085 62.100 0.049 0.000 0.994 5 T CB 1.291 70.198 68.868 0.065 0.000 1.025 5 T HN 0.915 nan 8.240 nan 0.000 0.529 6 G N 0.304 109.135 108.800 0.051 0.000 2.440 6 G HA2 -0.035 3.944 3.960 0.031 0.000 0.218 6 G HA3 -0.035 3.944 3.960 0.031 0.000 0.218 6 G C 1.589 176.523 174.900 0.056 0.000 1.154 6 G CA 0.615 45.746 45.100 0.052 0.000 0.767 6 G HN 1.033 nan 8.290 nan 0.000 0.552 7 G N 0.567 109.409 108.800 0.070 0.000 2.422 7 G HA2 -0.180 3.799 3.960 0.031 0.000 0.218 7 G HA3 -0.180 3.799 3.960 0.031 0.000 0.218 7 G C 1.604 176.532 174.900 0.046 0.000 1.146 7 G CA 1.355 46.495 45.100 0.066 0.000 0.769 7 G HN 0.510 nan 8.290 nan 0.000 0.547 8 E N 0.473 120.706 120.200 0.055 0.000 2.077 8 E HA -0.038 4.330 4.350 0.031 0.000 0.193 8 E C 2.495 179.106 176.600 0.018 0.000 0.989 8 E CA 0.684 57.115 56.400 0.051 0.000 0.800 8 E CB -0.441 29.306 29.700 0.078 0.000 0.746 8 E HN 0.440 nan 8.360 nan 0.000 0.452 9 L N -0.443 120.796 121.223 0.027 0.000 2.042 9 L HA -0.195 4.163 4.340 0.031 0.000 0.210 9 L C 2.444 179.317 176.870 0.004 0.000 1.076 9 L CA 1.062 55.913 54.840 0.019 0.000 0.749 9 L CB -0.541 41.538 42.059 0.033 0.000 0.893 9 L HN 0.106 nan 8.230 nan 0.000 0.432 10 V N -0.604 119.316 119.914 0.010 0.000 2.252 10 V HA -0.293 3.845 4.120 0.031 0.000 0.249 10 V C 2.381 178.451 176.094 -0.039 0.000 1.056 10 V CA 1.874 64.175 62.300 0.001 0.000 1.022 10 V CB -0.406 31.423 31.823 0.011 0.000 0.641 10 V HN 0.219 nan 8.190 nan 0.000 0.445 11 V N -0.430 119.442 119.914 -0.070 0.000 2.453 11 V HA -0.198 3.941 4.120 0.031 0.000 0.247 11 V C 2.551 178.518 176.094 -0.210 0.000 1.048 11 V CA 1.825 64.038 62.300 -0.144 0.000 1.049 11 V CB -0.784 30.942 31.823 -0.162 0.000 0.672 11 V HN 0.458 nan 8.190 nan 0.000 0.457 12 R N -0.116 120.270 120.500 -0.190 0.000 2.105 12 R HA -0.143 4.216 4.340 0.031 0.000 0.239 12 R C 2.358 178.602 176.300 -0.095 0.000 1.135 12 R CA 1.946 57.944 56.100 -0.170 0.000 0.967 12 R CB -0.645 29.607 30.300 -0.080 0.000 0.861 12 R HN 0.519 nan 8.270 nan 0.000 0.442 13 T N 1.476 115.995 114.554 -0.058 0.000 2.812 13 T HA -0.036 4.332 4.350 0.031 0.000 0.264 13 T C 1.925 176.605 174.700 -0.033 0.000 1.042 13 T CA 0.846 62.930 62.100 -0.027 0.000 1.140 13 T CB -0.118 68.751 68.868 0.001 0.000 0.870 13 T HN 0.107 nan 8.240 nan 0.000 0.445 14 L N 0.426 121.619 121.223 -0.049 0.000 2.012 14 L HA -0.086 4.273 4.340 0.031 0.000 0.210 14 L C 2.513 179.348 176.870 -0.059 0.000 1.073 14 L CA 1.377 56.188 54.840 -0.049 0.000 0.748 14 L CB -0.674 41.344 42.059 -0.069 0.000 0.891 14 L HN 0.247 nan 8.230 nan 0.000 0.431 15 I N -0.128 120.386 120.570 -0.094 0.000 2.163 15 I HA -0.352 3.837 4.170 0.031 0.000 0.243 15 I C 2.678 178.766 176.117 -0.048 0.000 1.085 15 I CA 1.516 62.764 61.300 -0.086 0.000 1.347 15 I CB -0.313 37.608 38.000 -0.130 0.000 1.044 15 I HN 0.223 nan 8.210 nan 0.000 0.408 16 K N 0.867 121.242 120.400 -0.042 0.000 2.147 16 K HA -0.159 4.180 4.320 0.031 0.000 0.205 16 K C 2.064 178.656 176.600 -0.013 0.000 1.049 16 K CA 1.375 57.650 56.287 -0.021 0.000 0.936 16 K CB -0.097 32.394 32.500 -0.015 0.000 0.722 16 K HN 0.345 nan 8.250 nan 0.000 0.446 17 A N -0.359 122.454 122.820 -0.012 0.000 2.066 17 A HA 0.106 4.444 4.320 0.031 0.000 0.218 17 A C 1.413 178.997 177.584 0.001 0.000 1.157 17 A CA 1.227 53.263 52.037 -0.002 0.000 0.670 17 A CB -0.290 18.713 19.000 0.005 0.000 0.804 17 A HN 0.509 nan 8.150 nan 0.000 0.453 18 G N -2.042 106.755 108.800 -0.004 0.000 2.154 18 G HA2 -0.135 3.844 3.960 0.031 0.000 0.186 18 G HA3 -0.135 3.844 3.960 0.031 0.000 0.186 18 G C 0.065 174.974 174.900 0.016 0.000 1.000 18 G CA -0.090 45.012 45.100 0.004 0.000 0.664 18 G HN 0.711 nan 8.290 nan 0.000 0.513 19 V N 0.659 120.575 119.914 0.003 0.000 2.529 19 V HA 0.288 4.426 4.120 0.031 0.000 0.292 19 V C 1.241 177.307 176.094 -0.046 0.000 1.028 19 V CA 1.223 63.527 62.300 0.007 0.000 1.074 19 V CB 1.303 33.114 31.823 -0.020 0.000 0.958 19 V HN 0.505 nan 8.190 nan 0.000 0.481 20 E N 2.279 122.455 120.200 -0.041 0.000 2.514 20 E HA 0.213 4.582 4.350 0.031 0.000 0.215 20 E C -0.578 175.654 176.600 -0.612 0.000 0.946 20 E CA 0.034 56.283 56.400 -0.250 0.000 1.038 20 E CB 0.655 30.237 29.700 -0.196 0.000 1.069 20 E HN 0.885 nan 8.360 nan 0.000 0.503 21 H N -0.920 118.045 119.070 -0.176 0.000 2.996 21 H HA 0.434 5.003 4.556 0.022 0.000 0.368 21 H C -1.345 173.680 175.328 -0.505 0.000 1.185 21 H CA -0.714 55.090 56.048 -0.406 0.000 1.160 21 H CB 1.424 30.829 29.762 -0.595 0.000 1.820 21 H HN -0.155 nan 8.280 nan 0.000 0.547 22 L N 1.648 122.602 121.223 -0.449 0.000 2.323 22 L HA 0.567 4.925 4.340 0.031 0.000 0.265 22 L C -1.085 175.377 176.870 -0.680 0.000 1.012 22 L CA -0.430 54.159 54.840 -0.418 0.000 0.820 22 L CB 1.105 42.983 42.059 -0.302 0.000 1.334 22 L HN 0.488 nan 8.230 nan 0.000 0.427 23 F N -0.142 119.691 119.950 -0.194 0.000 2.520 23 F HA 0.843 5.392 4.527 0.037 0.000 0.322 23 F C 0.636 176.385 175.800 -0.086 0.000 1.103 23 F CA -0.380 57.541 58.000 -0.132 0.000 0.926 23 F CB 2.235 41.154 39.000 -0.136 0.000 1.154 23 F HN 0.524 nan 8.300 nan 0.000 0.453 24 G N 1.603 110.482 108.800 0.132 0.000 2.428 24 G HA2 0.558 4.536 3.960 0.031 0.000 0.305 24 G HA3 0.558 4.536 3.960 0.031 0.000 0.305 24 G C -2.521 172.496 174.900 0.195 0.000 1.260 24 G CA -0.772 44.412 45.100 0.140 0.000 0.853 24 G HN 0.719 nan 8.290 nan 0.000 0.480 25 L N -0.071 121.294 121.223 0.237 0.000 2.526 25 L HA 0.584 4.942 4.340 0.031 0.000 0.263 25 L C -0.649 176.328 176.870 0.179 0.000 0.943 25 L CA -0.960 54.001 54.840 0.202 0.000 0.859 25 L CB 2.266 44.384 42.059 0.098 0.000 1.313 25 L HN 0.930 nan 8.230 nan 0.000 0.406 26 H N 2.636 121.679 119.070 -0.044 0.000 2.815 26 H HA 0.583 5.158 4.556 0.031 0.000 0.350 26 H C -0.151 175.027 175.328 -0.251 0.000 1.080 26 H CA 1.161 56.949 56.048 -0.433 0.000 1.433 26 H CB 1.193 30.537 29.762 -0.696 0.000 1.432 26 H HN 0.731 nan 8.280 nan 0.000 0.592 27 G N 1.601 109.881 108.800 -0.866 0.000 2.690 27 G HA2 0.470 4.448 3.960 0.031 0.000 0.293 27 G HA3 0.470 4.448 3.960 0.031 0.000 0.293 27 G C 0.256 174.709 174.900 -0.746 0.000 1.399 27 G CA -0.302 44.465 45.100 -0.554 0.000 0.890 27 G HN 0.853 nan 8.290 nan 0.000 0.485 28 A N 0.050 122.657 122.820 -0.354 0.000 1.940 28 A HA -0.088 4.250 4.320 0.031 0.000 0.219 28 A C 1.918 179.121 177.584 -0.636 0.000 1.176 28 A CA 2.292 54.162 52.037 -0.278 0.000 0.631 28 A CB -0.852 18.102 19.000 -0.076 0.000 0.814 28 A HN 0.775 nan 8.150 nan 0.000 0.446 29 H N -0.083 118.291 119.070 -1.160 0.000 2.460 29 H HA -0.087 4.486 4.556 0.030 0.000 0.297 29 H C 1.522 176.413 175.328 -0.727 0.000 1.103 29 H CA 1.750 56.856 56.048 -1.570 0.000 1.292 29 H CB -0.224 28.952 29.762 -0.978 0.000 1.376 29 H HN 0.724 nan 8.280 nan 0.000 0.531 30 I N -3.180 117.198 120.570 -0.320 0.000 4.009 30 I HA 0.226 4.414 4.170 0.031 0.000 0.331 30 I C 1.018 177.144 176.117 0.015 0.000 1.462 30 I CA 0.010 61.254 61.300 -0.094 0.000 1.117 30 I CB 0.659 38.651 38.000 -0.015 0.000 1.091 30 I HN -0.137 nan 8.210 nan 0.000 0.410 31 D N 2.416 122.773 120.400 -0.072 0.000 2.182 31 D HA -0.225 4.433 4.640 0.031 0.000 0.201 31 D C 2.298 178.731 176.300 0.222 0.000 0.986 31 D CA 2.461 56.523 54.000 0.103 0.000 0.847 31 D CB 0.232 41.124 40.800 0.153 0.000 0.942 31 D HN 0.538 nan 8.370 nan 0.000 0.467 32 T N -1.543 113.116 114.554 0.175 0.000 2.803 32 T HA -0.171 4.198 4.350 0.031 0.000 0.269 32 T C 2.159 176.948 174.700 0.148 0.000 1.052 32 T CA 1.095 63.291 62.100 0.159 0.000 1.136 32 T CB -0.560 68.393 68.868 0.141 0.000 0.864 32 T HN 0.239 nan 8.240 nan 0.000 0.467 33 I N -0.475 120.185 120.570 0.151 0.000 2.286 33 I HA 0.030 4.219 4.170 0.031 0.000 0.245 33 I C 2.231 178.394 176.117 0.078 0.000 1.104 33 I CA 1.044 62.394 61.300 0.084 0.000 1.397 33 I CB -0.429 37.594 38.000 0.038 0.000 1.072 33 I HN 0.091 nan 8.210 nan 0.000 0.417 34 F N 1.203 121.180 119.950 0.044 0.000 2.126 34 F HA -0.249 4.292 4.527 0.023 0.000 0.299 34 F C 2.758 178.601 175.800 0.070 0.000 1.096 34 F CA 1.440 59.483 58.000 0.072 0.000 1.255 34 F CB -0.486 38.610 39.000 0.159 0.000 0.997 34 F HN 0.087 nan 8.300 nan 0.000 0.479 35 Q N -0.150 119.811 119.800 0.268 0.000 2.119 35 Q HA -0.093 4.265 4.340 0.031 0.000 0.201 35 Q C 2.553 178.632 176.000 0.133 0.000 0.972 35 Q CA 1.393 57.299 55.803 0.172 0.000 0.847 35 Q CB -1.014 27.812 28.738 0.147 0.000 0.903 35 Q HN 0.433 nan 8.270 nan 0.000 0.433 36 A N 0.315 123.214 122.820 0.132 0.000 1.898 36 A HA -0.166 4.172 4.320 0.031 0.000 0.216 36 A C 2.555 180.249 177.584 0.184 0.000 1.181 36 A CA 1.380 53.515 52.037 0.164 0.000 0.620 36 A CB -0.966 18.100 19.000 0.109 0.000 0.819 36 A HN 0.450 nan 8.150 nan 0.000 0.442 37 C N -1.257 118.079 119.300 0.059 0.000 2.413 37 C HA -0.089 4.390 4.460 0.031 0.000 0.276 37 C C 2.531 177.547 174.990 0.042 0.000 1.248 37 C CA 1.174 60.194 59.018 0.003 0.000 1.742 37 C CB -1.433 26.230 27.740 -0.128 0.000 2.017 37 C HN 0.674 nan 8.230 nan 0.000 0.481 38 L N 1.468 122.726 121.223 0.059 0.000 1.989 38 L HA -0.138 4.220 4.340 0.031 0.000 0.211 38 L C 1.996 178.887 176.870 0.035 0.000 1.071 38 L CA 2.141 57.013 54.840 0.052 0.000 0.749 38 L CB -0.981 41.122 42.059 0.075 0.000 0.890 38 L HN 0.249 nan 8.230 nan 0.000 0.431 39 D N -1.323 119.102 120.400 0.041 0.000 2.144 39 D HA -0.180 4.479 4.640 0.031 0.000 0.199 39 D C 1.646 177.865 176.300 -0.134 0.000 0.984 39 D CA 1.548 55.517 54.000 -0.052 0.000 0.834 39 D CB -0.154 40.593 40.800 -0.089 0.000 0.955 39 D HN 0.554 nan 8.370 nan 0.000 0.465 40 H N -0.284 118.775 119.070 -0.019 0.000 2.529 40 H HA 0.108 4.680 4.556 0.028 0.000 0.277 40 H C -0.326 174.976 175.328 -0.043 0.000 1.004 40 H CA -0.001 56.029 56.048 -0.030 0.000 1.167 40 H CB 0.376 30.116 29.762 -0.035 0.000 1.445 40 H HN -0.155 nan 8.280 nan 0.000 0.554 41 D N 0.041 120.467 120.400 0.044 0.000 2.772 41 D HA -0.146 4.512 4.640 0.031 0.000 0.233 41 D C -0.919 175.362 176.300 -0.030 0.000 1.143 41 D CA 0.447 54.447 54.000 0.001 0.000 0.700 41 D CB -1.307 39.489 40.800 -0.007 0.000 1.076 41 D HN 0.132 nan 8.370 nan 0.000 0.430 42 V N 0.822 120.711 119.914 -0.041 0.000 2.350 42 V HA 0.372 4.511 4.120 0.031 0.000 0.276 42 V C -1.777 174.228 176.094 -0.149 0.000 1.028 42 V CA -1.433 60.794 62.300 -0.122 0.000 0.860 42 V CB 1.472 33.215 31.823 -0.133 0.000 0.990 42 V HN -0.033 nan 8.190 nan 0.000 0.453 43 P HA 0.311 nan 4.420 nan 0.000 0.271 43 P C -0.560 176.601 177.300 -0.232 0.000 1.220 43 P CA 0.064 63.077 63.100 -0.145 0.000 0.768 43 P CB 0.582 32.242 31.700 -0.068 0.000 0.848 44 I N 4.159 124.589 120.570 -0.234 0.000 2.328 44 I HA 0.228 4.416 4.170 0.031 0.000 0.287 44 I C 0.103 176.088 176.117 -0.220 0.000 1.012 44 I CA -0.887 60.220 61.300 -0.320 0.000 1.195 44 I CB 0.895 38.610 38.000 -0.476 0.000 1.350 44 I HN 0.139 nan 8.210 nan 0.000 0.464 45 I N 6.816 127.184 120.570 -0.336 0.000 2.329 45 I HA 0.015 4.204 4.170 0.031 0.000 0.295 45 I C 0.401 176.512 176.117 -0.009 0.000 1.109 45 I CA -0.008 61.181 61.300 -0.184 0.000 1.297 45 I CB -0.097 37.736 38.000 -0.279 0.000 1.433 45 I HN 0.478 nan 8.210 nan 0.000 0.509 46 D N 4.999 125.433 120.400 0.056 0.000 2.249 46 D HA 0.269 4.927 4.640 0.031 0.000 0.246 46 D C 0.127 176.481 176.300 0.089 0.000 1.114 46 D CA -0.459 53.614 54.000 0.120 0.000 0.854 46 D CB 1.511 42.422 40.800 0.184 0.000 1.132 46 D HN 0.456 nan 8.370 nan 0.000 0.461 47 T N -0.024 114.583 114.554 0.089 0.000 2.876 47 T HA 0.391 4.759 4.350 0.031 0.000 0.277 47 T C 0.993 175.705 174.700 0.021 0.000 0.997 47 T CA -0.921 61.205 62.100 0.043 0.000 0.966 47 T CB 1.496 70.396 68.868 0.054 0.000 1.312 47 T HN 0.204 nan 8.240 nan 0.000 0.598 48 R N -0.008 120.484 120.500 -0.015 0.000 2.362 48 R HA 0.283 4.642 4.340 0.031 0.000 0.227 48 R C -0.031 176.302 176.300 0.054 0.000 0.905 48 R CA 0.051 56.144 56.100 -0.012 0.000 1.067 48 R CB -0.634 29.619 30.300 -0.079 0.000 1.078 48 R HN 0.732 nan 8.270 nan 0.000 0.516 49 H N -0.417 118.631 119.070 -0.038 0.000 3.086 49 H HA 0.146 4.720 4.556 0.029 0.000 0.353 49 H C -0.039 175.280 175.328 -0.015 0.000 1.134 49 H CA -0.325 55.710 56.048 -0.022 0.000 1.248 49 H CB 1.556 31.303 29.762 -0.024 0.000 1.878 49 H HN -0.225 nan 8.280 nan 0.000 0.527 50 E N 2.860 123.207 120.200 0.246 0.000 2.160 50 E HA -0.089 4.280 4.350 0.031 0.000 0.195 50 E C 1.913 178.586 176.600 0.123 0.000 0.991 50 E CA 1.600 58.094 56.400 0.156 0.000 0.810 50 E CB 0.167 29.915 29.700 0.079 0.000 0.742 50 E HN 0.618 nan 8.360 nan 0.000 0.466 51 A N 1.070 124.006 122.820 0.193 0.000 1.877 51 A HA -0.136 4.203 4.320 0.031 0.000 0.216 51 A C 2.401 179.874 177.584 -0.185 0.000 1.186 51 A CA 1.894 53.833 52.037 -0.163 0.000 0.620 51 A CB -0.961 17.835 19.000 -0.340 0.000 0.822 51 A HN 0.310 nan 8.150 nan 0.000 0.443 52 A N -0.201 122.583 122.820 -0.061 0.000 1.940 52 A HA 0.108 4.447 4.320 0.031 0.000 0.219 52 A C 2.498 180.076 177.584 -0.009 0.000 1.176 52 A CA 2.273 54.305 52.037 -0.008 0.000 0.631 52 A CB -1.007 17.962 19.000 -0.052 0.000 0.814 52 A HN 1.085 nan 8.150 nan 0.000 0.446 53 A N -0.512 122.320 122.820 0.021 0.000 1.877 53 A HA 0.138 4.477 4.320 0.031 0.000 0.216 53 A C 2.448 180.015 177.584 -0.028 0.000 1.186 53 A CA 1.943 54.014 52.037 0.057 0.000 0.620 53 A CB -1.444 17.625 19.000 0.116 0.000 0.822 53 A HN 0.736 nan 8.150 nan 0.000 0.443 54 G N -1.120 107.660 108.800 -0.034 0.000 2.446 54 G HA2 -0.273 3.705 3.960 0.031 0.000 0.217 54 G HA3 -0.273 3.705 3.960 0.031 0.000 0.217 54 G C 1.490 176.330 174.900 -0.101 0.000 1.168 54 G CA 1.170 46.266 45.100 -0.006 0.000 0.771 54 G HN 0.647 nan 8.290 nan 0.000 0.551 55 H N 0.847 119.897 119.070 -0.033 0.000 2.387 55 H HA 0.056 4.630 4.556 0.029 0.000 0.299 55 H C 2.917 178.122 175.328 -0.205 0.000 1.090 55 H CA 1.084 57.079 56.048 -0.087 0.000 1.332 55 H CB -0.614 29.100 29.762 -0.081 0.000 1.386 55 H HN 0.388 nan 8.280 nan 0.000 0.516 56 A N 1.288 123.990 122.820 -0.196 0.000 1.902 56 A HA -0.109 4.229 4.320 0.031 0.000 0.217 56 A C 2.728 179.747 177.584 -0.942 0.000 1.181 56 A CA 1.837 53.534 52.037 -0.567 0.000 0.623 56 A CB -0.854 17.760 19.000 -0.642 0.000 0.818 56 A HN 0.432 nan 8.150 nan 0.000 0.443 57 A N -0.255 122.109 122.820 -0.759 0.000 1.940 57 A HA -0.195 4.144 4.320 0.031 0.000 0.219 57 A C 1.921 179.367 177.584 -0.229 0.000 1.176 57 A CA 1.741 53.483 52.037 -0.491 0.000 0.631 57 A CB -0.537 18.276 19.000 -0.311 0.000 0.814 57 A HN 0.657 nan 8.150 nan 0.000 0.446 58 E N -0.788 119.314 120.200 -0.164 0.000 2.051 58 E HA -0.117 4.252 4.350 0.031 0.000 0.192 58 E C 2.193 178.754 176.600 -0.066 0.000 0.991 58 E CA 0.833 57.202 56.400 -0.052 0.000 0.799 58 E CB -0.407 29.312 29.700 0.031 0.000 0.748 58 E HN 0.605 nan 8.360 nan 0.000 0.449 59 G N 0.392 109.123 108.800 -0.115 0.000 2.418 59 G HA2 -0.309 3.669 3.960 0.031 0.000 0.217 59 G HA3 -0.309 3.669 3.960 0.031 0.000 0.217 59 G C 1.396 176.258 174.900 -0.064 0.000 1.158 59 G CA 0.872 45.907 45.100 -0.109 0.000 0.771 59 G HN 0.285 nan 8.290 nan 0.000 0.545 60 Y N 1.880 122.046 120.300 -0.224 0.000 2.145 60 Y HA -0.044 4.523 4.550 0.029 0.000 0.286 60 Y C 2.953 178.820 175.900 -0.055 0.000 1.145 60 Y CA 1.763 59.796 58.100 -0.111 0.000 1.148 60 Y CB -0.260 38.164 38.460 -0.061 0.000 0.981 60 Y HN 0.251 nan 8.280 nan 0.000 0.507 61 A N 0.493 123.374 122.820 0.102 0.000 1.902 61 A HA -0.186 4.152 4.320 0.031 0.000 0.217 61 A C 2.238 179.792 177.584 -0.050 0.000 1.181 61 A CA 1.913 53.968 52.037 0.030 0.000 0.623 61 A CB -0.566 18.466 19.000 0.053 0.000 0.818 61 A HN 0.559 nan 8.150 nan 0.000 0.443 62 R N -0.645 119.823 120.500 -0.055 0.000 2.062 62 R HA 0.065 4.423 4.340 0.031 0.000 0.229 62 R C 2.493 178.745 176.300 -0.081 0.000 1.128 62 R CA 1.159 57.220 56.100 -0.066 0.000 0.960 62 R CB -0.452 29.802 30.300 -0.076 0.000 0.855 62 R HN 0.464 nan 8.270 nan 0.000 0.432 63 A N 0.533 123.295 122.820 -0.097 0.000 1.969 63 A HA -0.027 4.311 4.320 0.031 0.000 0.218 63 A C 2.152 179.661 177.584 -0.125 0.000 1.169 63 A CA 1.599 53.577 52.037 -0.098 0.000 0.635 63 A CB -0.626 18.318 19.000 -0.093 0.000 0.810 63 A HN 0.465 nan 8.150 nan 0.000 0.445 64 G N -2.228 106.456 108.800 -0.195 0.000 2.986 64 G HA2 0.385 4.364 3.960 0.031 0.000 0.213 64 G HA3 0.385 4.364 3.960 0.031 0.000 0.213 64 G C 0.786 175.591 174.900 -0.158 0.000 1.156 64 G CA 0.567 45.523 45.100 -0.241 0.000 0.763 64 G HN 1.520 nan 8.290 nan 0.000 0.547 65 A N 0.105 122.859 122.820 -0.110 0.000 2.610 65 A HA -0.078 4.261 4.320 0.031 0.000 0.299 65 A C 0.658 178.207 177.584 -0.058 0.000 1.487 65 A CA 1.714 53.711 52.037 -0.067 0.000 0.743 65 A CB -2.069 16.900 19.000 -0.051 0.000 1.070 65 A HN 0.966 nan 8.150 nan 0.000 0.439 66 K N -1.600 118.767 120.400 -0.055 0.000 2.507 66 K HA 0.815 5.154 4.320 0.031 0.000 0.284 66 K C -0.533 176.097 176.600 0.050 0.000 1.038 66 K CA -1.190 55.089 56.287 -0.012 0.000 0.903 66 K CB 0.715 33.194 32.500 -0.034 0.000 1.531 66 K HN 0.715 nan 8.250 nan 0.000 0.430 67 L N 1.334 122.613 121.223 0.095 0.000 2.453 67 L HA 0.360 4.718 4.340 0.031 0.000 0.272 67 L C 0.044 177.049 176.870 0.225 0.000 1.182 67 L CA 0.911 55.823 54.840 0.119 0.000 0.858 67 L CB 0.835 42.949 42.059 0.093 0.000 1.120 67 L HN 0.772 nan 8.230 nan 0.000 0.474 68 G N 4.329 113.223 108.800 0.156 0.000 2.389 68 G HA2 0.588 4.567 3.960 0.031 0.000 0.328 68 G HA3 0.588 4.567 3.960 0.031 0.000 0.328 68 G C -1.502 173.390 174.900 -0.014 0.000 1.133 68 G CA -0.477 44.712 45.100 0.150 0.000 0.891 68 G HN 0.551 nan 8.290 nan 0.000 0.485 69 V N 1.001 120.897 119.914 -0.029 0.000 2.483 69 V HA 0.702 4.840 4.120 0.031 0.000 0.297 69 V C 0.249 176.290 176.094 -0.087 0.000 1.027 69 V CA -0.812 61.433 62.300 -0.092 0.000 0.855 69 V CB 1.170 32.954 31.823 -0.066 0.000 0.995 69 V HN 1.119 nan 8.190 nan 0.000 0.424 70 A N 4.820 127.509 122.820 -0.218 0.000 2.325 70 A HA 0.970 5.308 4.320 0.031 0.000 0.333 70 A C -1.180 176.387 177.584 -0.028 0.000 1.155 70 A CA -0.580 51.375 52.037 -0.136 0.000 0.814 70 A CB 1.490 20.297 19.000 -0.321 0.000 1.206 70 A HN 0.943 nan 8.150 nan 0.000 0.482 71 L N 3.078 124.320 121.223 0.031 0.000 2.441 71 L HA 0.707 5.065 4.340 0.031 0.000 0.270 71 L C -0.801 176.129 176.870 0.100 0.000 0.973 71 L CA -0.389 54.478 54.840 0.044 0.000 0.842 71 L CB 1.828 43.863 42.059 -0.039 0.000 1.239 71 L HN 1.041 nan 8.230 nan 0.000 0.406 72 V N 0.991 120.968 119.914 0.105 0.000 3.078 72 V HA 0.743 4.881 4.120 0.031 0.000 0.311 72 V C -0.166 175.946 176.094 0.030 0.000 1.138 72 V CA -0.305 62.047 62.300 0.086 0.000 1.007 72 V CB 1.619 33.506 31.823 0.106 0.000 1.045 72 V HN 0.778 nan 8.190 nan 0.000 0.432 73 T N 1.544 116.076 114.554 -0.037 0.000 2.810 73 T HA 0.719 5.087 4.350 0.031 0.000 0.277 73 T C 0.601 175.196 174.700 -0.175 0.000 0.973 73 T CA 0.366 62.379 62.100 -0.145 0.000 0.949 73 T CB 1.096 69.832 68.868 -0.220 0.000 1.075 73 T HN 1.812 nan 8.240 nan 0.000 0.537 74 A N 0.411 123.000 122.820 -0.385 0.000 2.448 74 A HA 0.534 4.873 4.320 0.031 0.000 0.239 74 A C 1.473 178.915 177.584 -0.237 0.000 1.080 74 A CA 0.506 52.316 52.037 -0.378 0.000 0.779 74 A CB -1.222 17.333 19.000 -0.742 0.000 1.026 74 A HN 1.830 nan 8.150 nan 0.000 0.499 75 G N 1.144 109.877 108.800 -0.112 0.000 2.595 75 G HA2 -0.148 3.830 3.960 0.031 0.000 0.297 75 G HA3 -0.148 3.830 3.960 0.031 0.000 0.297 75 G C 1.525 176.439 174.900 0.024 0.000 1.181 75 G CA 1.136 46.212 45.100 -0.041 0.000 0.963 75 G HN 2.000 nan 8.290 nan 0.000 0.541 76 G N 0.905 109.687 108.800 -0.029 0.000 2.443 76 G HA2 0.262 4.240 3.960 0.031 0.000 0.219 76 G HA3 0.262 4.240 3.960 0.031 0.000 0.219 76 G C 1.858 176.732 174.900 -0.043 0.000 1.131 76 G CA 2.025 47.104 45.100 -0.035 0.000 0.775 76 G HN 1.732 nan 8.290 nan 0.000 0.547 77 G N 0.790 109.564 108.800 -0.043 0.000 2.459 77 G HA2 -0.251 3.728 3.960 0.031 0.000 0.217 77 G HA3 -0.251 3.728 3.960 0.031 0.000 0.217 77 G C 1.587 176.498 174.900 0.018 0.000 1.183 77 G CA 1.064 46.150 45.100 -0.024 0.000 0.776 77 G HN 0.388 nan 8.290 nan 0.000 0.552 78 F N 2.698 122.600 119.950 -0.081 0.000 2.084 78 F HA -0.115 4.430 4.527 0.030 0.000 0.296 78 F C 3.044 178.798 175.800 -0.077 0.000 1.111 78 F CA 2.490 60.444 58.000 -0.076 0.000 1.224 78 F CB -0.824 38.118 39.000 -0.096 0.000 0.991 78 F HN 0.222 nan 8.300 nan 0.000 0.471 79 T N -1.441 112.948 114.554 -0.275 0.000 2.833 79 T HA -0.187 4.181 4.350 0.031 0.000 0.269 79 T C 1.700 176.222 174.700 -0.297 0.000 1.054 79 T CA 1.484 63.362 62.100 -0.370 0.000 1.135 79 T CB -0.752 68.061 68.868 -0.091 0.000 0.869 79 T HN 0.252 nan 8.240 nan 0.000 0.466 80 N N 1.953 120.554 118.700 -0.166 0.000 2.453 80 N HA 0.168 4.926 4.740 0.031 0.000 0.183 80 N C 1.674 177.128 175.510 -0.092 0.000 1.041 80 N CA 0.982 54.006 53.050 -0.044 0.000 0.900 80 N CB -0.359 38.138 38.487 0.018 0.000 0.961 80 N HN 0.690 nan 8.380 nan 0.000 0.443 81 A N -0.036 122.639 122.820 -0.242 0.000 2.308 81 A HA 0.104 4.442 4.320 0.031 0.000 0.217 81 A C 2.024 179.348 177.584 -0.432 0.000 1.216 81 A CA 0.110 51.993 52.037 -0.256 0.000 0.864 81 A CB -0.200 18.721 19.000 -0.131 0.000 0.902 81 A HN 0.143 nan 8.150 nan 0.000 0.499 82 V N -2.997 116.626 119.914 -0.484 0.000 2.667 82 V HA -0.116 4.022 4.120 0.031 0.000 0.252 82 V C 2.002 177.927 176.094 -0.281 0.000 1.065 82 V CA 2.519 64.537 62.300 -0.469 0.000 1.083 82 V CB -1.634 29.916 31.823 -0.456 0.000 0.692 82 V HN 0.329 nan 8.190 nan 0.000 0.468 83 T N 1.212 115.650 114.554 -0.193 0.000 2.737 83 T HA -0.021 4.347 4.350 0.031 0.000 0.265 83 T C 0.080 174.767 174.700 -0.022 0.000 1.038 83 T CA 2.183 64.240 62.100 -0.071 0.000 1.144 83 T CB -1.269 67.602 68.868 0.005 0.000 0.866 83 T HN 0.474 nan 8.240 nan 0.000 0.434 84 P HA -0.063 nan 4.420 nan 0.000 0.216 84 P C 1.455 178.766 177.300 0.018 0.000 1.157 84 P CA 1.064 64.092 63.100 -0.119 0.000 0.880 84 P CB -0.205 31.374 31.700 -0.201 0.000 0.791 85 I N -0.874 119.499 120.570 -0.328 0.000 2.179 85 I HA -0.270 3.918 4.170 0.031 0.000 0.242 85 I C 2.366 178.457 176.117 -0.043 0.000 1.088 85 I CA 1.645 62.694 61.300 -0.417 0.000 1.357 85 I CB -0.968 36.624 38.000 -0.681 0.000 1.051 85 I HN -0.083 nan 8.210 nan 0.000 0.409 86 A N 0.668 123.465 122.820 -0.038 0.000 1.902 86 A HA -0.269 4.069 4.320 0.031 0.000 0.217 86 A C 2.199 179.895 177.584 0.186 0.000 1.181 86 A CA 2.126 54.216 52.037 0.090 0.000 0.623 86 A CB -1.014 18.006 19.000 0.034 0.000 0.818 86 A HN 0.530 nan 8.150 nan 0.000 0.443 87 N N 0.083 118.871 118.700 0.145 0.000 2.084 87 N HA -0.155 4.604 4.740 0.031 0.000 0.190 87 N C 1.986 177.582 175.510 0.144 0.000 1.030 87 N CA 1.407 54.542 53.050 0.142 0.000 0.849 87 N CB -0.202 38.384 38.487 0.164 0.000 1.012 87 N HN 0.392 nan 8.380 nan 0.000 0.423 88 A N 1.537 124.473 122.820 0.195 0.000 1.933 88 A HA -0.186 4.152 4.320 0.031 0.000 0.218 88 A C 2.026 179.736 177.584 0.209 0.000 1.175 88 A CA 1.077 53.234 52.037 0.200 0.000 0.628 88 A CB -1.313 17.872 19.000 0.308 0.000 0.814 88 A HN 0.737 nan 8.150 nan 0.000 0.444 89 W N 0.603 121.940 121.300 0.062 0.000 2.332 89 W HA -0.196 4.481 4.660 0.030 0.000 0.321 89 W C 1.574 178.119 176.519 0.043 0.000 1.219 89 W CA 1.775 59.153 57.345 0.054 0.000 1.277 89 W CB -0.355 29.130 29.460 0.042 0.000 1.161 89 W HN 0.295 nan 8.180 nan 0.000 0.476 90 L N 0.491 121.710 121.223 -0.007 0.000 2.217 90 L HA -0.172 4.187 4.340 0.031 0.000 0.211 90 L C 1.587 178.309 176.870 -0.247 0.000 1.107 90 L CA 1.220 55.975 54.840 -0.141 0.000 0.783 90 L CB -0.784 41.329 42.059 0.090 0.000 0.919 90 L HN -0.162 nan 8.230 nan 0.000 0.442 91 D N 0.128 120.433 120.400 -0.157 0.000 2.340 91 D HA 0.021 4.679 4.640 0.031 0.000 0.220 91 D C 0.287 176.491 176.300 -0.160 0.000 1.039 91 D CA 0.083 53.975 54.000 -0.181 0.000 0.866 91 D CB 0.132 40.877 40.800 -0.092 0.000 0.913 91 D HN 0.034 nan 8.370 nan 0.000 0.523 92 R N -0.066 120.338 120.500 -0.159 0.000 3.205 92 R HA -0.126 4.233 4.340 0.031 0.000 0.249 92 R C -0.686 175.587 176.300 -0.044 0.000 0.937 92 R CA 0.504 56.532 56.100 -0.119 0.000 0.641 92 R CB -2.494 27.718 30.300 -0.147 0.000 1.114 92 R HN 0.038 nan 8.270 nan 0.000 0.451 93 T N 2.029 116.589 114.554 0.011 0.000 2.779 93 T HA 0.339 4.707 4.350 0.031 0.000 0.280 93 T C -2.211 172.535 174.700 0.077 0.000 0.987 93 T CA -1.462 60.658 62.100 0.033 0.000 0.966 93 T CB 1.814 70.705 68.868 0.037 0.000 0.933 93 T HN 0.042 nan 8.240 nan 0.000 0.442 94 P HA 0.319 nan 4.420 nan 0.000 0.273 94 P C -0.977 176.361 177.300 0.065 0.000 1.428 94 P CA -0.261 62.885 63.100 0.076 0.000 0.995 94 P CB 0.256 31.988 31.700 0.054 0.000 1.286 95 V N 5.463 125.425 119.914 0.080 0.000 2.531 95 V HA 0.232 4.370 4.120 0.031 0.000 0.301 95 V C 0.060 176.139 176.094 -0.025 0.000 1.034 95 V CA -0.946 61.318 62.300 -0.059 0.000 0.865 95 V CB 2.272 33.949 31.823 -0.244 0.000 0.995 95 V HN 0.305 nan 8.190 nan 0.000 0.424 96 L N 5.792 126.969 121.223 -0.076 0.000 2.261 96 L HA 0.558 4.916 4.340 0.031 0.000 0.289 96 L C -0.838 175.963 176.870 -0.115 0.000 1.059 96 L CA 0.337 55.184 54.840 0.011 0.000 0.816 96 L CB 0.045 42.126 42.059 0.038 0.000 1.191 96 L HN 0.455 nan 8.230 nan 0.000 0.431 97 F N 6.145 126.136 119.950 0.069 0.000 2.390 97 F HA 0.372 4.919 4.527 0.032 0.000 0.361 97 F C 0.018 175.849 175.800 0.051 0.000 1.124 97 F CA -0.363 57.673 58.000 0.059 0.000 1.149 97 F CB 0.623 39.665 39.000 0.069 0.000 1.160 97 F HN 0.263 nan 8.300 nan 0.000 0.501 98 L N 3.672 124.988 121.223 0.156 0.000 2.257 98 L HA 0.414 4.772 4.340 0.031 0.000 0.290 98 L C 0.288 177.227 176.870 0.116 0.000 1.044 98 L CA -0.270 54.632 54.840 0.104 0.000 0.810 98 L CB 1.326 43.413 42.059 0.047 0.000 1.193 98 L HN 0.517 nan 8.230 nan 0.000 0.425 99 T N 2.227 116.836 114.554 0.091 0.000 2.829 99 T HA 0.601 4.969 4.350 0.031 0.000 0.280 99 T C 0.316 175.014 174.700 -0.004 0.000 0.999 99 T CA -0.382 61.759 62.100 0.068 0.000 0.983 99 T CB 1.447 70.384 68.868 0.114 0.000 0.968 99 T HN 0.694 nan 8.240 nan 0.000 0.446 100 G N 2.292 111.075 108.800 -0.029 0.000 2.634 100 G HA2 0.530 4.509 3.960 0.031 0.000 0.255 100 G HA3 0.530 4.509 3.960 0.031 0.000 0.255 100 G C -0.251 174.593 174.900 -0.094 0.000 1.205 100 G CA 0.062 45.127 45.100 -0.058 0.000 0.884 100 G HN 1.201 nan 8.290 nan 0.000 0.549 101 S N -1.405 114.276 115.700 -0.031 0.000 2.672 101 S HA 0.700 5.188 4.470 0.031 0.000 0.271 101 S C 0.069 174.751 174.600 0.136 0.000 1.171 101 S CA -0.252 57.922 58.200 -0.043 0.000 0.817 101 S CB 0.922 64.069 63.200 -0.089 0.000 1.150 101 S HN 1.460 nan 8.310 nan 0.000 0.478 102 G N 0.251 109.116 108.800 0.108 0.000 2.491 102 G HA2 0.503 4.481 3.960 0.031 0.000 0.238 102 G HA3 0.503 4.481 3.960 0.031 0.000 0.238 102 G C 0.429 175.448 174.900 0.199 0.000 1.277 102 G CA -0.167 45.063 45.100 0.218 0.000 0.851 102 G HN 1.372 nan 8.290 nan 0.000 0.573 103 A N 1.503 124.461 122.820 0.229 0.000 2.511 103 A HA 0.302 4.640 4.320 0.031 0.000 0.242 103 A C 1.576 179.193 177.584 0.055 0.000 1.069 103 A CA -0.376 51.737 52.037 0.127 0.000 0.763 103 A CB 0.235 19.256 19.000 0.036 0.000 1.001 103 A HN 0.721 nan 8.150 nan 0.000 0.498 104 L N 2.127 123.367 121.223 0.029 0.000 2.083 104 L HA -0.196 4.162 4.340 0.031 0.000 0.209 104 L C 2.770 179.636 176.870 -0.006 0.000 1.083 104 L CA 1.970 56.813 54.840 0.004 0.000 0.752 104 L CB -0.532 41.523 42.059 -0.006 0.000 0.899 104 L HN 0.985 nan 8.230 nan 0.000 0.433 105 R N -0.492 119.997 120.500 -0.017 0.000 2.237 105 R HA -0.099 4.259 4.340 0.031 0.000 0.219 105 R C 0.203 176.488 176.300 -0.025 0.000 1.080 105 R CA 1.250 57.333 56.100 -0.028 0.000 0.995 105 R CB -0.319 29.953 30.300 -0.046 0.000 0.875 105 R HN 0.295 nan 8.270 nan 0.000 0.462 106 D N 1.124 121.516 120.400 -0.014 0.000 2.501 106 D HA 0.063 4.722 4.640 0.031 0.000 0.226 106 D C -0.728 175.578 176.300 0.009 0.000 1.198 106 D CA -0.235 53.761 54.000 -0.006 0.000 0.830 106 D CB 0.033 40.830 40.800 -0.005 0.000 1.014 106 D HN 0.184 nan 8.370 nan 0.000 0.496 107 D N 1.658 122.060 120.400 0.004 0.000 2.525 107 D HA -0.096 4.562 4.640 0.031 0.000 0.235 107 D C 0.615 176.916 176.300 0.001 0.000 1.137 107 D CA 0.798 54.800 54.000 0.003 0.000 0.868 107 D CB 0.519 41.316 40.800 -0.005 0.000 1.180 107 D HN -0.126 nan 8.370 nan 0.000 0.465 108 E N 1.613 121.815 120.200 0.002 0.000 2.389 108 E HA -0.190 4.179 4.350 0.031 0.000 0.243 108 E C 0.286 176.888 176.600 0.003 0.000 1.154 108 E CA 1.133 57.533 56.400 0.000 0.000 0.723 108 E CB -2.138 27.559 29.700 -0.004 0.000 1.261 108 E HN 0.645 nan 8.360 nan 0.000 0.390 109 T N -3.443 111.117 114.554 0.009 0.000 3.129 109 T HA 0.152 4.520 4.350 0.031 0.000 0.267 109 T C 0.573 175.281 174.700 0.014 0.000 1.018 109 T CA 0.042 62.147 62.100 0.009 0.000 0.903 109 T CB 0.203 69.076 68.868 0.009 0.000 1.067 109 T HN 0.086 nan 8.240 nan 0.000 0.549 110 N N 1.338 120.047 118.700 0.015 0.000 2.727 110 N HA -0.129 4.629 4.740 0.031 0.000 0.249 110 N C -0.094 175.432 175.510 0.027 0.000 1.048 110 N CA 1.248 54.308 53.050 0.017 0.000 0.714 110 N CB -1.662 36.832 38.487 0.012 0.000 0.959 110 N HN 0.647 nan 8.380 nan 0.000 0.544 111 T N -0.375 114.203 114.554 0.039 0.000 2.884 111 T HA 0.502 4.871 4.350 0.031 0.000 0.277 111 T C 0.270 175.016 174.700 0.076 0.000 0.976 111 T CA -0.778 61.357 62.100 0.059 0.000 0.956 111 T CB 0.854 69.764 68.868 0.069 0.000 1.113 111 T HN 0.195 nan 8.240 nan 0.000 0.554 112 L N 2.814 124.099 121.223 0.103 0.000 2.601 112 L HA 0.139 4.497 4.340 0.031 0.000 0.277 112 L C 1.004 177.945 176.870 0.119 0.000 1.219 112 L CA 1.281 56.187 54.840 0.111 0.000 0.915 112 L CB -0.598 41.552 42.059 0.151 0.000 1.160 112 L HN 0.957 nan 8.230 nan 0.000 0.494 113 Q N 1.437 121.260 119.800 0.039 0.000 2.362 113 Q HA -0.250 4.109 4.340 0.031 0.000 0.220 113 Q C 0.069 176.049 176.000 -0.033 0.000 0.713 113 Q CA 1.104 56.883 55.803 -0.040 0.000 1.345 113 Q CB -1.576 27.056 28.738 -0.176 0.000 1.570 113 Q HN 0.922 nan 8.270 nan 0.000 0.701 114 A N -0.903 121.932 122.820 0.025 0.000 2.256 114 A HA 0.741 5.079 4.320 0.031 0.000 0.318 114 A C 1.296 178.879 177.584 -0.001 0.000 1.103 114 A CA 0.530 52.581 52.037 0.023 0.000 0.860 114 A CB 0.916 19.954 19.000 0.062 0.000 1.182 114 A HN 0.862 nan 8.150 nan 0.000 0.501 115 G N -1.112 107.680 108.800 -0.014 0.000 2.176 115 G HA2 -0.149 3.829 3.960 0.031 0.000 0.253 115 G HA3 -0.149 3.829 3.960 0.031 0.000 0.253 115 G C -0.044 174.837 174.900 -0.031 0.000 0.979 115 G CA 0.222 45.310 45.100 -0.020 0.000 0.641 115 G HN 0.654 nan 8.290 nan 0.000 0.530 116 I N 1.617 122.160 120.570 -0.045 0.000 2.342 116 I HA 0.297 4.486 4.170 0.031 0.000 0.291 116 I C -0.032 176.021 176.117 -0.107 0.000 1.010 116 I CA -1.432 59.838 61.300 -0.049 0.000 1.308 116 I CB 1.352 39.343 38.000 -0.015 0.000 1.400 116 I HN 0.014 nan 8.210 nan 0.000 0.488 117 D N 6.313 126.655 120.400 -0.097 0.000 2.498 117 D HA 0.075 4.733 4.640 0.031 0.000 0.229 117 D C 1.146 177.317 176.300 -0.215 0.000 1.188 117 D CA 0.101 54.018 54.000 -0.139 0.000 1.028 117 D CB 0.516 41.260 40.800 -0.094 0.000 1.087 117 D HN 0.471 nan 8.370 nan 0.000 0.510 118 Q N 0.973 120.533 119.800 -0.400 0.000 2.119 118 Q HA -0.090 4.269 4.340 0.031 0.000 0.201 118 Q C 2.013 177.632 176.000 -0.635 0.000 0.972 118 Q CA 0.920 56.195 55.803 -0.881 0.000 0.847 118 Q CB 0.319 28.229 28.738 -1.380 0.000 0.903 118 Q HN 0.339 nan 8.270 nan 0.000 0.433 119 V N 1.115 120.777 119.914 -0.419 0.000 2.358 119 V HA -0.269 3.870 4.120 0.031 0.000 0.246 119 V C 2.292 178.276 176.094 -0.184 0.000 1.047 119 V CA 1.800 63.926 62.300 -0.290 0.000 1.035 119 V CB -0.932 30.726 31.823 -0.275 0.000 0.658 119 V HN 0.401 nan 8.190 nan 0.000 0.452 120 A N -0.487 122.242 122.820 -0.152 0.000 1.902 120 A HA -0.246 4.093 4.320 0.031 0.000 0.217 120 A C 2.235 179.780 177.584 -0.064 0.000 1.181 120 A CA 2.227 54.208 52.037 -0.094 0.000 0.623 120 A CB -0.485 18.470 19.000 -0.075 0.000 0.818 120 A HN 0.506 nan 8.150 nan 0.000 0.443 121 M N -0.720 118.862 119.600 -0.031 0.000 2.159 121 M HA -0.124 4.374 4.480 0.031 0.000 0.263 121 M C 2.351 178.678 176.300 0.046 0.000 1.063 121 M CA 1.446 56.778 55.300 0.053 0.000 1.110 121 M CB -0.310 32.420 32.600 0.217 0.000 1.374 121 M HN 0.476 nan 8.290 nan 0.000 0.411 122 A N -0.025 122.829 122.820 0.056 0.000 2.123 122 A HA 0.263 4.601 4.320 0.031 0.000 0.214 122 A C 2.329 179.828 177.584 -0.143 0.000 1.152 122 A CA 1.037 53.067 52.037 -0.013 0.000 0.728 122 A CB -0.568 18.459 19.000 0.046 0.000 0.814 122 A HN 0.433 nan 8.150 nan 0.000 0.464 123 A N 1.182 123.923 122.820 -0.132 0.000 1.892 123 A HA -0.105 4.233 4.320 0.031 0.000 0.218 123 A C 0.109 177.550 177.584 -0.238 0.000 1.188 123 A CA 2.027 53.974 52.037 -0.149 0.000 0.631 123 A CB -1.709 17.233 19.000 -0.097 0.000 0.822 123 A HN 0.461 nan 8.150 nan 0.000 0.447 124 P HA 0.011 nan 4.420 nan 0.000 0.230 124 P C 0.679 177.571 177.300 -0.681 0.000 1.158 124 P CA 0.849 63.760 63.100 -0.315 0.000 0.769 124 P CB -0.089 31.499 31.700 -0.187 0.000 0.807 125 I N -4.966 115.132 120.570 -0.787 0.000 3.621 125 I HA 0.356 4.545 4.170 0.031 0.000 0.325 125 I C -0.526 175.074 176.117 -0.863 0.000 1.554 125 I CA -0.540 60.054 61.300 -1.177 0.000 1.053 125 I CB 0.297 37.994 38.000 -0.506 0.000 1.302 125 I HN -0.256 nan 8.210 nan 0.000 0.518 126 T N -3.451 110.630 114.554 -0.787 0.000 2.896 126 T HA 0.453 4.822 4.350 0.031 0.000 0.297 126 T C 0.369 175.068 174.700 -0.001 0.000 1.108 126 T CA -0.812 61.182 62.100 -0.177 0.000 1.004 126 T CB 2.599 71.440 68.868 -0.045 0.000 1.159 126 T HN 0.098 nan 8.240 nan 0.000 0.499 127 K N -0.487 120.141 120.400 0.380 0.000 2.148 127 K HA 0.068 4.406 4.320 0.031 0.000 0.204 127 K C -0.200 176.622 176.600 0.369 0.000 1.050 127 K CA 0.954 57.485 56.287 0.408 0.000 0.942 127 K CB 0.110 32.830 32.500 0.367 0.000 0.724 127 K HN 0.631 nan 8.250 nan 0.000 0.446 128 W N -0.619 120.738 121.300 0.096 0.000 3.479 128 W HA 0.465 5.143 4.660 0.030 0.000 0.304 128 W C -2.138 174.422 176.519 0.069 0.000 1.243 128 W CA -0.977 56.409 57.345 0.069 0.000 1.202 128 W CB 1.327 30.828 29.460 0.068 0.000 1.346 128 W HN -0.151 nan 8.180 nan 0.000 0.539 129 A N 3.974 126.556 122.820 -0.396 0.000 2.427 129 A HA 0.721 5.059 4.320 0.031 0.000 0.298 129 A C -2.208 174.980 177.584 -0.659 0.000 1.036 129 A CA -0.435 51.319 52.037 -0.471 0.000 0.701 129 A CB 1.636 20.498 19.000 -0.230 0.000 1.250 129 A HN 0.851 nan 8.150 nan 0.000 0.412 130 H N 0.307 118.895 119.070 -0.803 0.000 3.085 130 H HA 0.576 5.150 4.556 0.030 0.000 0.356 130 H C -0.870 174.223 175.328 -0.393 0.000 1.178 130 H CA -0.365 55.281 56.048 -0.670 0.000 1.214 130 H CB 1.328 30.435 29.762 -1.091 0.000 1.881 130 H HN 0.757 nan 8.280 nan 0.000 0.538 131 R N 3.971 124.053 120.500 -0.697 0.000 2.255 131 R HA 0.483 4.841 4.340 0.031 0.000 0.326 131 R C -1.011 175.105 176.300 -0.307 0.000 0.986 131 R CA -0.759 55.098 56.100 -0.404 0.000 0.847 131 R CB 0.812 30.915 30.300 -0.329 0.000 1.111 131 R HN 0.392 nan 8.270 nan 0.000 0.452 132 V N 6.497 126.370 119.914 -0.067 0.000 2.572 132 V HA 0.006 4.144 4.120 0.031 0.000 0.291 132 V C 1.172 177.291 176.094 0.042 0.000 1.039 132 V CA 0.136 62.484 62.300 0.080 0.000 1.055 132 V CB 1.412 33.299 31.823 0.106 0.000 0.969 132 V HN 0.883 nan 8.190 nan 0.000 0.482 133 M N 3.210 122.874 119.600 0.107 0.000 2.461 133 M HA 0.364 4.863 4.480 0.031 0.000 0.255 133 M C 0.521 176.783 176.300 -0.063 0.000 1.137 133 M CA 0.502 55.828 55.300 0.042 0.000 1.086 133 M CB 0.290 32.956 32.600 0.110 0.000 1.356 133 M HN 0.731 nan 8.290 nan 0.000 0.487 134 A N -0.514 122.190 122.820 -0.194 0.000 2.520 134 A HA 0.556 4.895 4.320 0.031 0.000 0.298 134 A C 0.788 178.229 177.584 -0.238 0.000 1.051 134 A CA -0.457 51.367 52.037 -0.355 0.000 0.690 134 A CB 0.662 19.197 19.000 -0.774 0.000 1.281 134 A HN 0.171 nan 8.150 nan 0.000 0.402 135 T N 0.481 114.961 114.554 -0.124 0.000 2.759 135 T HA -0.162 4.207 4.350 0.031 0.000 0.269 135 T C 1.913 176.600 174.700 -0.021 0.000 1.042 135 T CA 2.219 64.293 62.100 -0.042 0.000 1.140 135 T CB -0.187 68.669 68.868 -0.021 0.000 0.864 135 T HN 1.076 nan 8.240 nan 0.000 0.455 136 E N 0.934 121.099 120.200 -0.058 0.000 2.338 136 E HA -0.158 4.210 4.350 0.031 0.000 0.197 136 E C 1.463 178.152 176.600 0.149 0.000 1.007 136 E CA 1.036 57.452 56.400 0.027 0.000 0.849 136 E CB -1.244 28.474 29.700 0.031 0.000 0.774 136 E HN 0.867 nan 8.360 nan 0.000 0.506 137 H N -0.660 118.442 119.070 0.054 0.000 2.548 137 H HA 0.321 4.895 4.556 0.030 0.000 0.268 137 H C 1.978 177.351 175.328 0.075 0.000 0.975 137 H CA 0.514 56.603 56.048 0.068 0.000 1.195 137 H CB -0.066 29.749 29.762 0.090 0.000 1.397 137 H HN 0.250 nan 8.280 nan 0.000 0.572 138 I N 1.274 121.946 120.570 0.170 0.000 2.127 138 I HA -0.200 3.988 4.170 0.031 0.000 0.241 138 I C -0.624 175.557 176.117 0.108 0.000 1.075 138 I CA 1.216 62.591 61.300 0.126 0.000 1.334 138 I CB -0.929 37.120 38.000 0.083 0.000 1.040 138 I HN 0.192 nan 8.210 nan 0.000 0.405 139 P HA -0.195 nan 4.420 nan 0.000 0.215 139 P C 1.263 178.603 177.300 0.067 0.000 1.157 139 P CA 1.585 64.723 63.100 0.063 0.000 0.868 139 P CB -0.209 31.520 31.700 0.048 0.000 0.788 140 R N -0.195 120.349 120.500 0.073 0.000 2.115 140 R HA -0.030 4.329 4.340 0.031 0.000 0.230 140 R C 2.013 178.355 176.300 0.071 0.000 1.111 140 R CA 1.342 57.472 56.100 0.051 0.000 0.976 140 R CB -1.468 28.848 30.300 0.027 0.000 0.870 140 R HN 0.203 nan 8.270 nan 0.000 0.445 141 L N 0.941 122.241 121.223 0.129 0.000 2.179 141 L HA -0.020 4.339 4.340 0.031 0.000 0.208 141 L C 2.468 179.478 176.870 0.233 0.000 1.096 141 L CA 0.368 55.337 54.840 0.216 0.000 0.779 141 L CB -0.224 42.007 42.059 0.288 0.000 0.922 141 L HN 0.017 nan 8.230 nan 0.000 0.443 142 V N -0.245 119.764 119.914 0.159 0.000 2.287 142 V HA -0.337 3.802 4.120 0.031 0.000 0.248 142 V C 2.499 178.660 176.094 0.112 0.000 1.053 142 V CA 1.938 64.316 62.300 0.131 0.000 1.027 142 V CB -0.382 31.490 31.823 0.081 0.000 0.646 142 V HN 0.364 nan 8.190 nan 0.000 0.447 143 M N -0.373 119.273 119.600 0.076 0.000 2.159 143 M HA -0.173 4.325 4.480 0.031 0.000 0.263 143 M C 2.181 178.503 176.300 0.037 0.000 1.063 143 M CA 1.738 57.066 55.300 0.046 0.000 1.110 143 M CB -0.732 31.882 32.600 0.023 0.000 1.374 143 M HN 0.382 nan 8.290 nan 0.000 0.411 144 Q N -0.858 118.959 119.800 0.029 0.000 2.084 144 Q HA -0.176 4.182 4.340 0.031 0.000 0.202 144 Q C 1.898 177.893 176.000 -0.008 0.000 0.978 144 Q CA 1.929 57.694 55.803 -0.063 0.000 0.844 144 Q CB -0.193 28.444 28.738 -0.169 0.000 0.898 144 Q HN 0.601 nan 8.270 nan 0.000 0.426 145 A N 0.643 123.596 122.820 0.221 0.000 1.902 145 A HA -0.173 4.165 4.320 0.031 0.000 0.217 145 A C 1.977 179.683 177.584 0.204 0.000 1.181 145 A CA 1.340 53.603 52.037 0.378 0.000 0.623 145 A CB -0.661 18.593 19.000 0.423 0.000 0.818 145 A HN 0.480 nan 8.150 nan 0.000 0.443 146 I N -0.847 119.801 120.570 0.130 0.000 2.179 146 I HA -0.286 3.902 4.170 0.031 0.000 0.242 146 I C 2.781 178.935 176.117 0.061 0.000 1.088 146 I CA 1.433 62.785 61.300 0.086 0.000 1.357 146 I CB -0.338 37.697 38.000 0.059 0.000 1.051 146 I HN 0.298 nan 8.210 nan 0.000 0.409 147 R N 0.656 121.174 120.500 0.031 0.000 2.096 147 R HA -0.132 4.226 4.340 0.031 0.000 0.235 147 R C 2.455 178.761 176.300 0.010 0.000 1.127 147 R CA 1.413 57.514 56.100 0.002 0.000 0.968 147 R CB -0.482 29.797 30.300 -0.034 0.000 0.861 147 R HN 0.377 nan 8.270 nan 0.000 0.440 148 A N 1.406 124.238 122.820 0.019 0.000 1.877 148 A HA -0.139 4.200 4.320 0.031 0.000 0.216 148 A C 2.390 180.037 177.584 0.105 0.000 1.186 148 A CA 1.796 53.864 52.037 0.052 0.000 0.620 148 A CB -0.645 18.413 19.000 0.098 0.000 0.822 148 A HN 0.397 nan 8.150 nan 0.000 0.443 149 A N -0.687 122.210 122.820 0.129 0.000 1.930 149 A HA 0.060 4.398 4.320 0.031 0.000 0.217 149 A C 2.067 179.703 177.584 0.086 0.000 1.175 149 A CA 1.417 53.533 52.037 0.133 0.000 0.627 149 A CB -0.450 18.632 19.000 0.137 0.000 0.815 149 A HN 0.461 nan 8.150 nan 0.000 0.443 150 L N 0.489 121.748 121.223 0.060 0.000 2.446 150 L HA 0.036 4.395 4.340 0.031 0.000 0.219 150 L C 1.194 178.078 176.870 0.022 0.000 1.116 150 L CA 0.304 55.166 54.840 0.036 0.000 0.844 150 L CB -0.199 41.875 42.059 0.025 0.000 0.970 150 L HN 0.463 nan 8.230 nan 0.000 0.457 151 S N 0.292 116.007 115.700 0.025 0.000 2.601 151 S HA 0.556 5.045 4.470 0.031 0.000 0.271 151 S C 0.207 174.816 174.600 0.015 0.000 1.305 151 S CA -0.765 57.443 58.200 0.013 0.000 1.022 151 S CB 1.687 64.891 63.200 0.007 0.000 0.940 151 S HN 0.125 nan 8.310 nan 0.000 0.525 152 A N 3.010 125.833 122.820 0.006 0.000 2.450 152 A HA 0.559 4.897 4.320 0.031 0.000 0.255 152 A C -2.031 175.554 177.584 0.002 0.000 1.096 152 A CA -1.439 50.598 52.037 -0.000 0.000 0.778 152 A CB -0.631 18.366 19.000 -0.005 0.000 1.031 152 A HN 0.755 nan 8.150 nan 0.000 0.494 153 P HA 0.341 nan 4.420 nan 0.000 0.279 153 P C -0.448 176.845 177.300 -0.012 0.000 1.239 153 P CA -0.489 62.595 63.100 -0.027 0.000 0.789 153 P CB 0.716 32.379 31.700 -0.061 0.000 0.933 154 R N 1.025 121.519 120.500 -0.010 0.000 2.811 154 R HA 0.557 4.915 4.340 0.031 0.000 0.265 154 R C 1.089 177.408 176.300 0.032 0.000 1.026 154 R CA 1.185 57.296 56.100 0.018 0.000 1.142 154 R CB -0.344 29.962 30.300 0.011 0.000 1.027 154 R HN 0.868 nan 8.270 nan 0.000 0.465 155 G N 1.016 109.874 108.800 0.098 0.000 2.349 155 G HA2 0.341 4.319 3.960 0.031 0.000 0.294 155 G HA3 0.341 4.319 3.960 0.031 0.000 0.294 155 G C -3.058 171.994 174.900 0.252 0.000 1.380 155 G CA -1.009 44.194 45.100 0.170 0.000 0.811 155 G HN 0.439 nan 8.290 nan 0.000 0.519 156 P HA 0.576 nan 4.420 nan 0.000 0.282 156 P C -0.731 176.785 177.300 0.360 0.000 1.249 156 P CA -0.416 62.924 63.100 0.400 0.000 0.806 156 P CB 2.104 34.088 31.700 0.473 0.000 0.984 157 V N 3.156 123.291 119.914 0.367 0.000 2.789 157 V HA 0.360 4.498 4.120 0.031 0.000 0.311 157 V C -0.205 176.059 176.094 0.282 0.000 1.073 157 V CA -0.813 61.669 62.300 0.304 0.000 0.921 157 V CB 2.136 34.155 31.823 0.327 0.000 1.009 157 V HN 0.407 nan 8.190 nan 0.000 0.426 158 L N 4.795 126.094 121.223 0.126 0.000 2.305 158 L HA 0.707 5.066 4.340 0.031 0.000 0.284 158 L C -1.098 175.730 176.870 -0.071 0.000 1.013 158 L CA -0.246 54.639 54.840 0.074 0.000 0.819 158 L CB 1.348 43.411 42.059 0.007 0.000 1.227 158 L HN 0.624 nan 8.230 nan 0.000 0.417 159 L N 5.380 126.600 121.223 -0.005 0.000 2.319 159 L HA 0.514 4.873 4.340 0.031 0.000 0.281 159 L C -0.932 175.908 176.870 -0.050 0.000 1.005 159 L CA -0.053 54.750 54.840 -0.063 0.000 0.828 159 L CB 1.226 43.301 42.059 0.027 0.000 1.227 159 L HN 0.619 nan 8.230 nan 0.000 0.415 160 D N 5.622 125.951 120.400 -0.118 0.000 2.233 160 D HA 0.311 4.969 4.640 0.031 0.000 0.240 160 D C -1.185 175.071 176.300 -0.074 0.000 1.074 160 D CA -0.179 53.745 54.000 -0.126 0.000 0.838 160 D CB 1.147 41.811 40.800 -0.227 0.000 1.124 160 D HN 0.519 nan 8.370 nan 0.000 0.475 161 L N 5.864 127.069 121.223 -0.031 0.000 2.366 161 L HA 0.338 4.696 4.340 0.031 0.000 0.266 161 L C -2.251 174.644 176.870 0.042 0.000 1.010 161 L CA -1.823 53.026 54.840 0.014 0.000 0.879 161 L CB 1.905 43.985 42.059 0.035 0.000 1.228 161 L HN 0.172 nan 8.230 nan 0.000 0.439 162 P HA -0.123 nan 4.420 nan 0.000 0.266 162 P C 0.026 177.449 177.300 0.206 0.000 1.193 162 P CA -0.056 63.107 63.100 0.106 0.000 0.770 162 P CB 0.622 32.359 31.700 0.062 0.000 0.836 163 W N 3.819 125.144 121.300 0.043 0.000 2.358 163 W HA -0.171 4.508 4.660 0.032 0.000 0.303 163 W C 1.445 177.949 176.519 -0.025 0.000 1.208 163 W CA 2.306 59.655 57.345 0.006 0.000 1.274 163 W CB -0.966 28.449 29.460 -0.076 0.000 1.138 163 W HN 0.448 nan 8.180 nan 0.000 0.515 164 D N -0.239 120.244 120.400 0.137 0.000 2.178 164 D HA -0.211 4.448 4.640 0.031 0.000 0.202 164 D C 2.014 178.330 176.300 0.027 0.000 0.974 164 D CA 1.356 55.348 54.000 -0.014 0.000 0.841 164 D CB -1.091 39.672 40.800 -0.060 0.000 0.953 164 D HN 0.107 nan 8.370 nan 0.000 0.478 165 I N 0.592 121.196 120.570 0.057 0.000 2.286 165 I HA -0.139 4.049 4.170 0.031 0.000 0.248 165 I C 2.530 178.685 176.117 0.063 0.000 1.115 165 I CA 0.627 61.951 61.300 0.039 0.000 1.392 165 I CB -0.704 37.316 38.000 0.034 0.000 1.065 165 I HN 0.097 nan 8.210 nan 0.000 0.418 166 L N -0.880 120.413 121.223 0.116 0.000 2.131 166 L HA -0.105 4.254 4.340 0.031 0.000 0.206 166 L C 2.545 179.491 176.870 0.126 0.000 1.087 166 L CA 0.967 55.885 54.840 0.130 0.000 0.767 166 L CB -0.280 41.881 42.059 0.170 0.000 0.917 166 L HN 0.168 nan 8.230 nan 0.000 0.441 167 M N -0.907 118.770 119.600 0.128 0.000 2.388 167 M HA -0.023 4.475 4.480 0.031 0.000 0.265 167 M C 0.265 176.576 176.300 0.018 0.000 1.088 167 M CA 0.248 55.589 55.300 0.069 0.000 1.134 167 M CB -0.014 32.575 32.600 -0.018 0.000 1.384 167 M HN 0.176 nan 8.290 nan 0.000 0.447 168 N N 2.705 121.408 118.700 0.005 0.000 2.293 168 N HA -0.039 4.719 4.740 0.031 0.000 0.253 168 N C -0.612 174.901 175.510 0.006 0.000 1.248 168 N CA 0.734 53.780 53.050 -0.008 0.000 0.845 168 N CB 0.332 38.812 38.487 -0.012 0.000 1.073 168 N HN 0.333 nan 8.380 nan 0.000 0.464 169 Q N 1.322 121.122 119.800 -0.000 0.000 2.282 169 Q HA 0.544 4.903 4.340 0.031 0.000 0.260 169 Q C -0.067 175.936 176.000 0.005 0.000 0.964 169 Q CA -0.747 55.061 55.803 0.008 0.000 0.880 169 Q CB 1.863 30.605 28.738 0.007 0.000 1.286 169 Q HN 0.523 nan 8.270 nan 0.000 0.445 170 I N -1.456 119.120 120.570 0.011 0.000 2.934 170 I HA 0.445 4.634 4.170 0.031 0.000 0.306 170 I C -0.586 175.539 176.117 0.014 0.000 1.110 170 I CA -1.151 60.154 61.300 0.009 0.000 1.019 170 I CB 1.731 39.736 38.000 0.009 0.000 1.227 170 I HN 0.510 nan 8.210 nan 0.000 0.434 171 D N 3.830 124.238 120.400 0.012 0.000 2.434 171 D HA -0.033 4.625 4.640 0.031 0.000 0.252 171 D C 1.305 177.616 176.300 0.019 0.000 1.185 171 D CA 0.335 54.344 54.000 0.014 0.000 0.886 171 D CB 1.062 41.869 40.800 0.012 0.000 1.148 171 D HN 0.733 nan 8.370 nan 0.000 0.483 172 E N 2.612 122.825 120.200 0.021 0.000 2.204 172 E HA -0.209 4.159 4.350 0.031 0.000 0.195 172 E C 0.294 176.908 176.600 0.023 0.000 0.990 172 E CA 0.872 57.287 56.400 0.025 0.000 0.821 172 E CB 0.090 29.808 29.700 0.029 0.000 0.750 172 E HN 0.371 nan 8.360 nan 0.000 0.477 173 D N 1.061 121.472 120.400 0.020 0.000 2.349 173 D HA -0.046 4.612 4.640 0.031 0.000 0.224 173 D C 1.592 177.904 176.300 0.019 0.000 1.029 173 D CA 1.053 55.064 54.000 0.018 0.000 0.879 173 D CB 0.363 41.172 40.800 0.015 0.000 0.906 173 D HN 0.329 nan 8.370 nan 0.000 0.528 174 S N -0.576 115.136 115.700 0.020 0.000 2.548 174 S HA 0.105 4.593 4.470 0.031 0.000 0.215 174 S C 0.544 175.160 174.600 0.027 0.000 0.976 174 S CA -0.449 57.764 58.200 0.021 0.000 0.908 174 S CB 0.604 63.816 63.200 0.019 0.000 0.781 174 S HN 0.012 nan 8.310 nan 0.000 0.519 175 V N 2.163 122.095 119.914 0.029 0.000 2.569 175 V HA 0.667 4.805 4.120 0.031 0.000 0.301 175 V C -0.790 175.323 176.094 0.031 0.000 1.044 175 V CA -1.377 60.944 62.300 0.035 0.000 0.874 175 V CB 1.565 33.413 31.823 0.041 0.000 1.002 175 V HN 0.493 nan 8.190 nan 0.000 0.424 176 I N 7.457 128.045 120.570 0.030 0.000 2.519 176 I HA 0.527 4.716 4.170 0.031 0.000 0.287 176 I C -0.499 175.633 176.117 0.025 0.000 1.047 176 I CA 0.179 61.493 61.300 0.024 0.000 1.381 176 I CB 1.022 39.034 38.000 0.019 0.000 1.417 176 I HN 0.491 nan 8.210 nan 0.000 0.540 177 I N 8.964 129.546 120.570 0.020 0.000 2.301 177 I HA 0.359 4.547 4.170 0.031 0.000 0.292 177 I C -2.048 174.077 176.117 0.012 0.000 1.046 177 I CA -2.099 59.211 61.300 0.016 0.000 1.282 177 I CB 0.130 38.136 38.000 0.010 0.000 1.409 177 I HN 0.532 nan 8.210 nan 0.000 0.484 178 P HA 0.169 nan 4.420 nan 0.000 0.274 178 P C -0.382 176.920 177.300 0.004 0.000 1.237 178 P CA -0.354 62.751 63.100 0.007 0.000 0.793 178 P CB 1.360 33.064 31.700 0.007 0.000 0.977 179 D N 0.447 120.848 120.400 0.001 0.000 2.358 179 D HA 0.111 4.769 4.640 0.031 0.000 0.244 179 D C 0.029 176.328 176.300 -0.002 0.000 1.163 179 D CA -0.084 53.915 54.000 -0.001 0.000 0.945 179 D CB 0.745 41.544 40.800 -0.002 0.000 1.152 179 D HN 0.197 nan 8.370 nan 0.000 0.451 180 L N 2.163 123.384 121.223 -0.003 0.000 2.385 180 L HA 0.123 4.481 4.340 0.031 0.000 0.285 180 L C -0.818 176.046 176.870 -0.010 0.000 1.125 180 L CA -0.119 54.718 54.840 -0.005 0.000 0.890 180 L CB 0.076 42.133 42.059 -0.003 0.000 1.251 180 L HN 0.018 nan 8.230 nan 0.000 0.445 181 V N 6.853 126.760 119.914 -0.011 0.000 2.288 181 V HA 0.455 4.593 4.120 0.031 0.000 0.266 181 V C -0.388 175.697 176.094 -0.015 0.000 1.048 181 V CA -0.434 61.859 62.300 -0.012 0.000 0.842 181 V CB 0.783 32.601 31.823 -0.009 0.000 1.064 181 V HN 0.615 nan 8.190 nan 0.000 0.472 182 L N 4.009 125.221 121.223 -0.018 0.000 2.614 182 L HA 0.524 4.883 4.340 0.031 0.000 0.264 182 L C -0.126 176.726 176.870 -0.030 0.000 0.940 182 L CA 0.152 54.980 54.840 -0.020 0.000 0.903 182 L CB 2.252 44.299 42.059 -0.020 0.000 1.306 182 L HN 0.445 nan 8.230 nan 0.000 0.410 183 S N 3.057 118.745 115.700 -0.020 0.000 2.549 183 S HA 0.434 4.922 4.470 0.031 0.000 0.286 183 S C 1.426 175.970 174.600 -0.093 0.000 1.314 183 S CA 0.348 58.527 58.200 -0.035 0.000 1.062 183 S CB 1.050 64.275 63.200 0.042 0.000 0.865 183 S HN 0.973 nan 8.310 nan 0.000 0.498 184 A N 4.956 127.637 122.820 -0.231 0.000 2.119 184 A HA 0.084 4.423 4.320 0.031 0.000 0.217 184 A C 0.642 178.077 177.584 -0.248 0.000 1.153 184 A CA 0.609 52.489 52.037 -0.262 0.000 0.692 184 A CB -0.345 18.450 19.000 -0.342 0.000 0.799 184 A HN 0.909 nan 8.150 nan 0.000 0.458 185 H N 0.122 119.187 119.070 -0.009 0.000 2.562 185 H HA 0.422 4.996 4.556 0.031 0.000 0.314 185 H C 0.705 176.025 175.328 -0.014 0.000 1.079 185 H CA -0.099 55.942 56.048 -0.012 0.000 1.349 185 H CB 0.853 30.607 29.762 -0.012 0.000 1.432 185 H HN 0.240 nan 8.280 nan 0.000 0.479 186 G N 1.256 110.111 108.800 0.093 0.000 2.539 186 G HA2 0.390 4.369 3.960 0.031 0.000 0.258 186 G HA3 0.390 4.369 3.960 0.031 0.000 0.258 186 G C 0.033 174.956 174.900 0.039 0.000 1.202 186 G CA -0.304 44.823 45.100 0.045 0.000 0.851 186 G HN 0.787 nan 8.290 nan 0.000 0.556 187 A N 0.735 123.567 122.820 0.020 0.000 2.483 187 A HA 0.544 4.882 4.320 0.031 0.000 0.238 187 A C 0.900 178.483 177.584 -0.002 0.000 1.070 187 A CA 0.023 52.065 52.037 0.009 0.000 0.770 187 A CB 0.149 19.152 19.000 0.004 0.000 1.008 187 A HN 0.978 nan 8.150 nan 0.000 0.497 188 R N 1.494 121.988 120.500 -0.010 0.000 2.873 188 R HA 0.740 5.098 4.340 0.031 0.000 0.264 188 R C -3.010 173.278 176.300 -0.019 0.000 1.026 188 R CA -1.844 54.244 56.100 -0.021 0.000 1.002 188 R CB 0.134 30.416 30.300 -0.031 0.000 1.174 188 R HN 0.385 nan 8.270 nan 0.000 0.488 189 P HA -0.041 nan 4.420 nan 0.000 0.270 189 P C -0.886 176.407 177.300 -0.013 0.000 1.223 189 P CA -0.182 62.908 63.100 -0.016 0.000 0.785 189 P CB 0.412 32.100 31.700 -0.020 0.000 0.923 190 D N 2.581 122.977 120.400 -0.007 0.000 2.488 190 D HA -0.048 4.611 4.640 0.031 0.000 0.238 190 D C -1.195 175.103 176.300 -0.004 0.000 1.138 190 D CA -1.098 52.899 54.000 -0.004 0.000 0.873 190 D CB 0.705 41.505 40.800 -0.000 0.000 1.183 190 D HN 0.181 nan 8.370 nan 0.000 0.458 191 P HA -0.127 nan 4.420 nan 0.000 0.222 191 P C 0.937 178.240 177.300 0.005 0.000 1.147 191 P CA 0.888 63.987 63.100 -0.001 0.000 0.790 191 P CB 0.122 31.822 31.700 -0.001 0.000 0.780 192 A N 0.596 123.419 122.820 0.005 0.000 1.898 192 A HA -0.174 4.164 4.320 0.031 0.000 0.216 192 A C 2.045 179.636 177.584 0.012 0.000 1.181 192 A CA 1.817 53.859 52.037 0.008 0.000 0.620 192 A CB -1.161 17.843 19.000 0.006 0.000 0.819 192 A HN 0.061 nan 8.150 nan 0.000 0.442 193 D N -0.383 120.024 120.400 0.011 0.000 2.117 193 D HA -0.116 4.543 4.640 0.031 0.000 0.197 193 D C 1.852 178.163 176.300 0.018 0.000 0.987 193 D CA 1.075 55.083 54.000 0.014 0.000 0.829 193 D CB -0.382 40.424 40.800 0.010 0.000 0.961 193 D HN 0.317 nan 8.370 nan 0.000 0.460 194 L N 1.160 122.389 121.223 0.011 0.000 2.046 194 L HA -0.166 4.192 4.340 0.031 0.000 0.208 194 L C 1.599 178.492 176.870 0.039 0.000 1.077 194 L CA 1.662 56.509 54.840 0.012 0.000 0.747 194 L CB -0.306 41.748 42.059 -0.007 0.000 0.896 194 L HN -0.138 nan 8.230 nan 0.000 0.432 195 D N -1.024 119.397 120.400 0.035 0.000 2.123 195 D HA -0.261 4.398 4.640 0.031 0.000 0.196 195 D C 2.029 178.357 176.300 0.046 0.000 0.992 195 D CA 1.361 55.386 54.000 0.042 0.000 0.833 195 D CB -0.111 40.705 40.800 0.025 0.000 0.954 195 D HN 0.502 nan 8.370 nan 0.000 0.455 196 Q N 0.249 120.071 119.800 0.037 0.000 2.046 196 Q HA -0.116 4.242 4.340 0.031 0.000 0.200 196 Q C 2.086 178.120 176.000 0.056 0.000 0.975 196 Q CA 1.452 57.276 55.803 0.036 0.000 0.836 196 Q CB -0.056 28.698 28.738 0.028 0.000 0.896 196 Q HN 0.186 nan 8.270 nan 0.000 0.428 197 A N 0.925 123.784 122.820 0.065 0.000 1.883 197 A HA -0.194 4.144 4.320 0.031 0.000 0.217 197 A C 2.053 179.727 177.584 0.149 0.000 1.186 197 A CA 1.462 53.554 52.037 0.091 0.000 0.624 197 A CB -0.782 18.263 19.000 0.075 0.000 0.822 197 A HN 0.456 nan 8.150 nan 0.000 0.444 198 L N -1.060 120.267 121.223 0.174 0.000 2.156 198 L HA -0.111 4.248 4.340 0.031 0.000 0.208 198 L C 3.061 180.054 176.870 0.205 0.000 1.095 198 L CA 0.799 55.824 54.840 0.308 0.000 0.770 198 L CB -0.472 41.796 42.059 0.348 0.000 0.914 198 L HN 0.435 nan 8.230 nan 0.000 0.439 199 A N 0.267 123.136 122.820 0.083 0.000 1.902 199 A HA -0.167 4.172 4.320 0.031 0.000 0.217 199 A C 2.242 179.835 177.584 0.015 0.000 1.181 199 A CA 1.435 53.472 52.037 -0.000 0.000 0.623 199 A CB -0.648 18.348 19.000 -0.007 0.000 0.818 199 A HN 0.353 nan 8.150 nan 0.000 0.443 200 L N -1.300 119.958 121.223 0.059 0.000 2.056 200 L HA -0.143 4.215 4.340 0.031 0.000 0.207 200 L C 2.542 179.471 176.870 0.098 0.000 1.078 200 L CA 1.000 55.877 54.840 0.061 0.000 0.749 200 L CB -0.514 41.583 42.059 0.064 0.000 0.901 200 L HN 0.421 nan 8.230 nan 0.000 0.433 201 L N 0.148 121.480 121.223 0.183 0.000 2.046 201 L HA -0.205 4.153 4.340 0.031 0.000 0.208 201 L C 2.742 179.804 176.870 0.321 0.000 1.077 201 L CA 1.665 56.676 54.840 0.286 0.000 0.747 201 L CB -0.520 41.800 42.059 0.436 0.000 0.896 201 L HN 0.107 nan 8.230 nan 0.000 0.432 202 R N -0.591 120.017 120.500 0.182 0.000 2.096 202 R HA -0.199 4.159 4.340 0.031 0.000 0.235 202 R C 2.399 178.668 176.300 -0.052 0.000 1.127 202 R CA 1.690 57.712 56.100 -0.130 0.000 0.968 202 R CB -0.163 29.786 30.300 -0.585 0.000 0.861 202 R HN 0.338 nan 8.270 nan 0.000 0.440 203 K N 0.051 120.434 120.400 -0.028 0.000 2.167 203 K HA 0.066 4.404 4.320 0.031 0.000 0.203 203 K C 0.127 176.718 176.600 -0.016 0.000 1.052 203 K CA 0.594 56.862 56.287 -0.031 0.000 0.956 203 K CB 0.052 32.535 32.500 -0.027 0.000 0.735 203 K HN 0.192 nan 8.250 nan 0.000 0.451 204 A N 1.674 124.498 122.820 0.007 0.000 2.520 204 A HA -0.032 4.307 4.320 0.031 0.000 0.235 204 A C 0.471 178.015 177.584 -0.068 0.000 1.065 204 A CA 0.119 52.141 52.037 -0.026 0.000 0.764 204 A CB 0.258 19.256 19.000 -0.004 0.000 1.002 204 A HN 0.440 nan 8.150 nan 0.000 0.502 205 E N 0.702 120.820 120.200 -0.137 0.000 2.190 205 E HA -0.010 4.359 4.350 0.031 0.000 0.191 205 E C 0.177 176.512 176.600 -0.441 0.000 0.978 205 E CA 0.656 56.935 56.400 -0.201 0.000 0.839 205 E CB 0.170 29.763 29.700 -0.178 0.000 0.787 205 E HN 0.646 nan 8.360 nan 0.000 0.473 206 R N 1.154 121.294 120.500 -0.599 0.000 2.674 206 R HA 0.211 4.570 4.340 0.031 0.000 0.270 206 R C -2.680 173.274 176.300 -0.576 0.000 1.492 206 R CA -1.307 53.992 56.100 -1.335 0.000 1.624 206 R CB 1.318 30.681 30.300 -1.562 0.000 1.307 206 R HN 0.044 nan 8.270 nan 0.000 0.683 207 P HA 0.155 nan 4.420 nan 0.000 0.278 207 P C -0.241 177.296 177.300 0.395 0.000 1.238 207 P CA -0.288 62.886 63.100 0.122 0.000 0.794 207 P CB 1.709 33.491 31.700 0.137 0.000 0.955 208 V N 0.613 120.702 119.914 0.292 0.000 3.078 208 V HA 0.644 4.782 4.120 0.031 0.000 0.311 208 V C -0.575 175.636 176.094 0.195 0.000 1.138 208 V CA -1.169 61.320 62.300 0.315 0.000 1.007 208 V CB 1.961 33.966 31.823 0.303 0.000 1.045 208 V HN 0.300 nan 8.190 nan 0.000 0.432 209 I N 2.216 122.906 120.570 0.200 0.000 2.493 209 I HA 0.677 4.866 4.170 0.031 0.000 0.298 209 I C -0.799 175.413 176.117 0.158 0.000 0.998 209 I CA -0.990 60.399 61.300 0.148 0.000 1.137 209 I CB 2.168 40.244 38.000 0.127 0.000 1.310 209 I HN 0.491 nan 8.210 nan 0.000 0.445 210 V N 6.767 126.732 119.914 0.085 0.000 2.443 210 V HA 0.391 4.530 4.120 0.031 0.000 0.293 210 V C -0.094 176.013 176.094 0.021 0.000 1.021 210 V CA -0.583 61.751 62.300 0.056 0.000 0.848 210 V CB 1.528 33.333 31.823 -0.030 0.000 0.998 210 V HN 0.464 nan 8.190 nan 0.000 0.424 211 L N 4.184 125.426 121.223 0.032 0.000 2.326 211 L HA 0.762 5.120 4.340 0.031 0.000 0.278 211 L C 0.987 177.848 176.870 -0.014 0.000 1.092 211 L CA 0.050 54.898 54.840 0.012 0.000 0.810 211 L CB 1.247 43.319 42.059 0.022 0.000 1.153 211 L HN 0.754 nan 8.230 nan 0.000 0.439 212 G N -0.047 108.735 108.800 -0.031 0.000 2.887 212 G HA2 0.325 4.303 3.960 0.031 0.000 0.277 212 G HA3 0.325 4.303 3.960 0.031 0.000 0.277 212 G C 0.786 175.660 174.900 -0.045 0.000 1.346 212 G CA 0.234 45.304 45.100 -0.051 0.000 1.058 212 G HN 0.647 nan 8.290 nan 0.000 0.535 213 S N -0.812 114.848 115.700 -0.067 0.000 2.399 213 S HA -0.115 4.373 4.470 0.031 0.000 0.231 213 S C 1.619 176.190 174.600 -0.049 0.000 1.022 213 S CA 1.716 59.879 58.200 -0.063 0.000 0.983 213 S CB -0.220 62.922 63.200 -0.097 0.000 0.803 213 S HN 0.516 nan 8.310 nan 0.000 0.480 214 E N 1.811 121.981 120.200 -0.050 0.000 2.204 214 E HA -0.013 4.355 4.350 0.031 0.000 0.195 214 E C 2.329 178.914 176.600 -0.025 0.000 0.990 214 E CA 1.052 57.429 56.400 -0.037 0.000 0.821 214 E CB -0.573 29.105 29.700 -0.037 0.000 0.750 214 E HN 0.730 nan 8.360 nan 0.000 0.477 215 A N 0.786 123.593 122.820 -0.021 0.000 1.930 215 A HA -0.139 4.199 4.320 0.031 0.000 0.217 215 A C 2.387 179.965 177.584 -0.009 0.000 1.175 215 A CA 1.717 53.748 52.037 -0.010 0.000 0.627 215 A CB -0.430 18.570 19.000 -0.001 0.000 0.815 215 A HN 0.232 nan 8.150 nan 0.000 0.443 216 S N -0.868 114.824 115.700 -0.013 0.000 2.383 216 S HA -0.134 4.355 4.470 0.031 0.000 0.227 216 S C 2.203 176.791 174.600 -0.020 0.000 1.026 216 S CA 0.961 59.153 58.200 -0.013 0.000 0.981 216 S CB -0.325 62.868 63.200 -0.012 0.000 0.818 216 S HN 0.526 nan 8.310 nan 0.000 0.472 217 R N 0.876 121.363 120.500 -0.023 0.000 2.096 217 R HA -0.028 4.331 4.340 0.031 0.000 0.235 217 R C 2.491 178.779 176.300 -0.020 0.000 1.127 217 R CA 1.870 57.956 56.100 -0.023 0.000 0.968 217 R CB -1.729 28.558 30.300 -0.022 0.000 0.861 217 R HN 0.729 nan 8.270 nan 0.000 0.440 218 T N -2.486 112.058 114.554 -0.017 0.000 3.051 218 T HA 0.325 4.693 4.350 0.031 0.000 0.255 218 T C 1.042 175.735 174.700 -0.012 0.000 1.085 218 T CA 0.493 62.585 62.100 -0.014 0.000 1.109 218 T CB 0.143 69.005 68.868 -0.009 0.000 0.921 218 T HN 0.269 nan 8.240 nan 0.000 0.488 219 A N 2.133 124.946 122.820 -0.011 0.000 2.640 219 A HA -0.174 4.164 4.320 0.031 0.000 0.300 219 A C 0.715 178.297 177.584 -0.003 0.000 1.499 219 A CA 0.365 52.397 52.037 -0.008 0.000 0.759 219 A CB -1.851 17.140 19.000 -0.015 0.000 1.048 219 A HN 0.486 nan 8.150 nan 0.000 0.450 220 R N -0.062 120.439 120.500 0.002 0.000 4.154 220 R HA 0.124 4.483 4.340 0.031 0.000 0.186 220 R C 1.124 177.430 176.300 0.011 0.000 1.750 220 R CA 0.346 56.451 56.100 0.008 0.000 1.431 220 R CB -0.195 30.110 30.300 0.008 0.000 1.383 220 R HN 0.731 nan 8.270 nan 0.000 0.788 221 K N -0.122 120.282 120.400 0.007 0.000 2.103 221 K HA -0.056 4.282 4.320 0.031 0.000 0.204 221 K C 1.561 178.166 176.600 0.008 0.000 1.052 221 K CA 1.374 57.665 56.287 0.006 0.000 0.945 221 K CB 0.221 32.719 32.500 -0.002 0.000 0.722 221 K HN 0.185 nan 8.250 nan 0.000 0.443 222 T N 1.224 115.783 114.554 0.008 0.000 2.674 222 T HA -0.158 4.211 4.350 0.031 0.000 0.265 222 T C 2.046 176.757 174.700 0.018 0.000 1.039 222 T CA 1.480 63.585 62.100 0.009 0.000 1.150 222 T CB -0.293 68.580 68.868 0.009 0.000 0.864 222 T HN 0.314 nan 8.240 nan 0.000 0.427 223 A N 1.269 124.102 122.820 0.021 0.000 1.902 223 A HA -0.033 4.305 4.320 0.031 0.000 0.217 223 A C 2.261 179.885 177.584 0.067 0.000 1.181 223 A CA 1.385 53.439 52.037 0.029 0.000 0.623 223 A CB -0.881 18.124 19.000 0.008 0.000 0.818 223 A HN 0.398 nan 8.150 nan 0.000 0.443 224 L N -0.153 121.109 121.223 0.065 0.000 2.012 224 L HA -0.122 4.237 4.340 0.031 0.000 0.210 224 L C 2.546 179.464 176.870 0.080 0.000 1.073 224 L CA 2.562 57.467 54.840 0.109 0.000 0.748 224 L CB -0.731 41.369 42.059 0.068 0.000 0.891 224 L HN 0.288 nan 8.230 nan 0.000 0.431 225 S N -0.514 115.203 115.700 0.029 0.000 2.368 225 S HA -0.170 4.319 4.470 0.031 0.000 0.225 225 S C 2.070 176.666 174.600 -0.007 0.000 1.030 225 S CA 1.152 59.348 58.200 -0.007 0.000 0.999 225 S CB -0.544 62.649 63.200 -0.012 0.000 0.844 225 S HN 0.691 nan 8.310 nan 0.000 0.459 226 A N 0.679 123.513 122.820 0.024 0.000 1.877 226 A HA -0.083 4.256 4.320 0.031 0.000 0.216 226 A C 1.931 179.539 177.584 0.040 0.000 1.186 226 A CA 1.483 53.534 52.037 0.024 0.000 0.620 226 A CB -0.918 18.102 19.000 0.035 0.000 0.822 226 A HN 0.598 nan 8.150 nan 0.000 0.443 227 F N 0.461 120.350 119.950 -0.101 0.000 2.102 227 F HA -0.160 4.385 4.527 0.030 0.000 0.298 227 F C 2.128 177.810 175.800 -0.198 0.000 1.105 227 F CA 1.800 59.709 58.000 -0.153 0.000 1.239 227 F CB -0.002 38.927 39.000 -0.118 0.000 0.991 227 F HN 0.049 nan 8.300 nan 0.000 0.474 228 V N 0.708 120.424 119.914 -0.330 0.000 2.427 228 V HA -0.270 3.868 4.120 0.031 0.000 0.248 228 V C 2.716 178.628 176.094 -0.303 0.000 1.051 228 V CA 1.606 63.648 62.300 -0.431 0.000 1.048 228 V CB -1.299 30.372 31.823 -0.254 0.000 0.666 228 V HN 0.509 nan 8.190 nan 0.000 0.456 229 A N 0.032 122.740 122.820 -0.187 0.000 1.933 229 A HA -0.088 4.250 4.320 0.031 0.000 0.218 229 A C 2.388 179.878 177.584 -0.157 0.000 1.175 229 A CA 2.009 53.966 52.037 -0.134 0.000 0.628 229 A CB -0.640 18.315 19.000 -0.076 0.000 0.814 229 A HN 0.556 nan 8.150 nan 0.000 0.444 230 A N -0.659 122.037 122.820 -0.208 0.000 1.929 230 A HA -0.006 4.333 4.320 0.031 0.000 0.216 230 A C 2.336 179.658 177.584 -0.436 0.000 1.176 230 A CA 2.267 54.163 52.037 -0.236 0.000 0.628 230 A CB -0.859 18.020 19.000 -0.202 0.000 0.816 230 A HN 0.738 nan 8.150 nan 0.000 0.444 231 T N -5.183 108.985 114.554 -0.643 0.000 3.015 231 T HA 0.388 4.757 4.350 0.031 0.000 0.250 231 T C 1.468 175.988 174.700 -0.300 0.000 1.057 231 T CA 1.145 62.767 62.100 -0.796 0.000 1.066 231 T CB -0.035 68.108 68.868 -1.207 0.000 0.959 231 T HN 1.643 nan 8.240 nan 0.000 0.488 232 G N 1.288 109.936 108.800 -0.253 0.000 2.203 232 G HA2 -0.219 3.760 3.960 0.031 0.000 0.263 232 G HA3 -0.219 3.760 3.960 0.031 0.000 0.263 232 G C 0.045 174.901 174.900 -0.073 0.000 1.012 232 G CA 0.198 45.228 45.100 -0.117 0.000 0.749 232 G HN 0.741 nan 8.290 nan 0.000 0.512 233 V N 1.757 121.575 119.914 -0.160 0.000 2.461 233 V HA 0.393 4.531 4.120 0.031 0.000 0.275 233 V C -1.360 174.695 176.094 -0.065 0.000 1.047 233 V CA -1.538 60.735 62.300 -0.046 0.000 0.955 233 V CB 1.427 33.191 31.823 -0.099 0.000 0.988 233 V HN 0.145 nan 8.190 nan 0.000 0.471 234 P HA 0.180 nan 4.420 nan 0.000 0.268 234 P C -0.817 176.450 177.300 -0.055 0.000 1.205 234 P CA 0.006 63.041 63.100 -0.107 0.000 0.771 234 P CB 0.607 32.213 31.700 -0.157 0.000 0.858 235 V N 4.105 123.899 119.914 -0.201 0.000 2.448 235 V HA 0.439 4.577 4.120 0.031 0.000 0.295 235 V C -0.097 175.839 176.094 -0.264 0.000 1.025 235 V CA -0.296 61.941 62.300 -0.106 0.000 0.859 235 V CB 0.643 32.410 31.823 -0.095 0.000 0.988 235 V HN 0.379 nan 8.190 nan 0.000 0.431 236 F N 2.048 121.965 119.950 -0.056 0.000 2.572 236 F HA 0.928 5.473 4.527 0.031 0.000 0.342 236 F C 0.476 176.246 175.800 -0.051 0.000 1.064 236 F CA -0.589 57.374 58.000 -0.062 0.000 1.008 236 F CB 1.992 40.939 39.000 -0.088 0.000 1.303 236 F HN 0.617 nan 8.300 nan 0.000 0.492 237 A N 0.438 123.352 122.820 0.157 0.000 2.594 237 A HA 0.549 4.887 4.320 0.031 0.000 0.295 237 A C -1.575 176.026 177.584 0.029 0.000 1.071 237 A CA -0.895 51.181 52.037 0.066 0.000 0.685 237 A CB 1.017 20.045 19.000 0.047 0.000 1.285 237 A HN 0.685 nan 8.150 nan 0.000 0.405 238 D N 0.129 120.511 120.400 -0.029 0.000 2.393 238 D HA 0.178 4.836 4.640 0.031 0.000 0.246 238 D C 0.775 177.077 176.300 0.003 0.000 1.275 238 D CA -0.035 53.892 54.000 -0.121 0.000 0.979 238 D CB -0.053 40.649 40.800 -0.163 0.000 1.101 238 D HN 0.450 nan 8.370 nan 0.000 0.505 239 Y N -1.070 119.309 120.300 0.132 0.000 2.102 239 Y HA -0.144 4.425 4.550 0.031 0.000 0.280 239 Y C 2.453 178.454 175.900 0.169 0.000 1.178 239 Y CA 1.757 60.002 58.100 0.241 0.000 1.146 239 Y CB -0.955 37.600 38.460 0.158 0.000 0.968 239 Y HN 0.493 nan 8.280 nan 0.000 0.504 240 E N -0.213 120.095 120.200 0.179 0.000 2.204 240 E HA -0.047 4.322 4.350 0.031 0.000 0.194 240 E C 2.371 179.011 176.600 0.066 0.000 0.989 240 E CA 1.092 57.533 56.400 0.069 0.000 0.824 240 E CB -0.567 29.120 29.700 -0.021 0.000 0.756 240 E HN 0.403 nan 8.360 nan 0.000 0.477 241 G N -0.148 108.691 108.800 0.065 0.000 2.880 241 G HA2 -0.099 3.880 3.960 0.031 0.000 0.209 241 G HA3 -0.099 3.880 3.960 0.031 0.000 0.209 241 G C 1.311 176.251 174.900 0.067 0.000 1.157 241 G CA 0.310 45.437 45.100 0.045 0.000 0.779 241 G HN 0.291 nan 8.290 nan 0.000 0.539 242 L N 2.302 123.601 121.223 0.127 0.000 2.012 242 L HA -0.125 4.233 4.340 0.031 0.000 0.210 242 L C 2.978 179.882 176.870 0.056 0.000 1.073 242 L CA 2.681 57.580 54.840 0.099 0.000 0.748 242 L CB -0.652 41.493 42.059 0.143 0.000 0.891 242 L HN 0.281 nan 8.230 nan 0.000 0.431 243 S N -1.933 113.819 115.700 0.086 0.000 2.474 243 S HA -0.157 4.331 4.470 0.031 0.000 0.235 243 S C 1.849 176.459 174.600 0.018 0.000 0.997 243 S CA 0.983 59.212 58.200 0.049 0.000 0.949 243 S CB -0.578 62.660 63.200 0.064 0.000 0.766 243 S HN 0.405 nan 8.310 nan 0.000 0.517 244 M N 1.165 120.776 119.600 0.018 0.000 2.549 244 M HA 0.211 4.710 4.480 0.031 0.000 0.260 244 M C 1.456 177.750 176.300 -0.010 0.000 1.076 244 M CA 0.766 56.069 55.300 0.004 0.000 1.090 244 M CB -1.122 31.483 32.600 0.009 0.000 1.418 244 M HN 0.420 nan 8.290 nan 0.000 0.486 245 L N -1.597 119.613 121.223 -0.021 0.000 2.591 245 L HA 0.021 4.379 4.340 0.031 0.000 0.228 245 L C 2.029 178.866 176.870 -0.054 0.000 1.133 245 L CA -0.004 54.807 54.840 -0.049 0.000 0.880 245 L CB -0.464 41.551 42.059 -0.074 0.000 1.033 245 L HN 0.138 nan 8.230 nan 0.000 0.450 246 S N 0.577 116.254 115.700 -0.038 0.000 2.428 246 S HA -0.054 4.435 4.470 0.031 0.000 0.230 246 S C 1.889 176.464 174.600 -0.043 0.000 1.014 246 S CA 1.177 59.353 58.200 -0.041 0.000 0.957 246 S CB -0.066 63.117 63.200 -0.027 0.000 0.784 246 S HN 0.598 nan 8.310 nan 0.000 0.499 247 G N 0.487 109.265 108.800 -0.038 0.000 3.042 247 G HA2 0.315 4.293 3.960 0.031 0.000 0.212 247 G HA3 0.315 4.293 3.960 0.031 0.000 0.212 247 G C 0.263 175.135 174.900 -0.045 0.000 1.166 247 G CA -0.243 44.835 45.100 -0.036 0.000 0.767 247 G HN 0.298 nan 8.290 nan 0.000 0.546 248 L N 0.844 122.033 121.223 -0.058 0.000 2.399 248 L HA 0.344 4.702 4.340 0.031 0.000 0.266 248 L C -2.055 174.768 176.870 -0.079 0.000 1.114 248 L CA -2.031 52.765 54.840 -0.073 0.000 0.804 248 L CB 1.174 43.178 42.059 -0.090 0.000 1.146 248 L HN -0.121 nan 8.230 nan 0.000 0.451 249 P HA 0.044 nan 4.420 nan 0.000 0.269 249 P C -0.221 177.021 177.300 -0.097 0.000 1.209 249 P CA -0.276 62.775 63.100 -0.080 0.000 0.776 249 P CB 0.538 32.192 31.700 -0.076 0.000 0.876 250 D N 2.043 122.388 120.400 -0.092 0.000 2.158 250 D HA -0.201 4.458 4.640 0.031 0.000 0.197 250 D C 1.858 178.085 176.300 -0.121 0.000 0.995 250 D CA 1.881 55.818 54.000 -0.106 0.000 0.846 250 D CB -0.624 40.120 40.800 -0.093 0.000 0.941 250 D HN 0.407 nan 8.370 nan 0.000 0.456 251 A N 0.148 122.904 122.820 -0.107 0.000 2.024 251 A HA -0.145 4.194 4.320 0.031 0.000 0.220 251 A C 1.913 179.409 177.584 -0.146 0.000 1.164 251 A CA 1.388 53.357 52.037 -0.112 0.000 0.643 251 A CB -0.290 18.661 19.000 -0.082 0.000 0.806 251 A HN 0.148 nan 8.150 nan 0.000 0.451 252 M N -0.765 118.744 119.600 -0.152 0.000 2.356 252 M HA 0.195 4.693 4.480 0.031 0.000 0.262 252 M C 0.114 176.274 176.300 -0.233 0.000 1.097 252 M CA 0.227 55.418 55.300 -0.182 0.000 0.991 252 M CB 0.540 33.044 32.600 -0.160 0.000 1.450 252 M HN 0.101 nan 8.290 nan 0.000 0.495 253 R N 0.249 120.609 120.500 -0.234 0.000 2.248 253 R HA 0.357 4.715 4.340 0.031 0.000 0.337 253 R C 1.259 177.309 176.300 -0.417 0.000 1.106 253 R CA -0.117 55.817 56.100 -0.276 0.000 0.959 253 R CB 0.298 30.481 30.300 -0.195 0.000 1.075 253 R HN 0.323 nan 8.270 nan 0.000 0.480 254 G N 1.921 110.285 108.800 -0.728 0.000 2.623 254 G HA2 0.151 4.129 3.960 0.031 0.000 0.214 254 G HA3 0.151 4.129 3.960 0.031 0.000 0.214 254 G C 0.843 175.253 174.900 -0.816 0.000 1.138 254 G CA 0.507 44.799 45.100 -1.347 0.000 0.794 254 G HN 0.888 nan 8.290 nan 0.000 0.535 255 G N -0.123 108.410 108.800 -0.445 0.000 2.562 255 G HA2 -0.244 3.735 3.960 0.031 0.000 0.250 255 G HA3 -0.244 3.735 3.960 0.031 0.000 0.250 255 G C 0.054 174.969 174.900 0.024 0.000 1.269 255 G CA -0.287 44.724 45.100 -0.149 0.000 0.919 255 G HN 0.616 nan 8.290 nan 0.000 0.574 256 L N 0.230 121.511 121.223 0.097 0.000 2.490 256 L HA 0.165 4.523 4.340 0.031 0.000 0.274 256 L C 2.189 179.200 176.870 0.236 0.000 1.201 256 L CA 0.378 55.304 54.840 0.145 0.000 0.869 256 L CB 1.027 43.172 42.059 0.144 0.000 1.123 256 L HN 0.603 nan 8.230 nan 0.000 0.484 257 V N 3.846 123.845 119.914 0.141 0.000 2.594 257 V HA -0.269 3.869 4.120 0.031 0.000 0.253 257 V C 2.355 178.427 176.094 -0.036 0.000 1.069 257 V CA 2.167 64.484 62.300 0.028 0.000 1.082 257 V CB -0.479 31.302 31.823 -0.070 0.000 0.680 257 V HN 1.080 nan 8.190 nan 0.000 0.469 258 Q N -0.568 119.245 119.800 0.020 0.000 2.248 258 Q HA -0.311 4.047 4.340 0.031 0.000 0.208 258 Q C 1.725 177.791 176.000 0.109 0.000 0.984 258 Q CA 2.506 58.340 55.803 0.051 0.000 0.875 258 Q CB -0.984 27.798 28.738 0.072 0.000 0.910 258 Q HN 0.766 nan 8.270 nan 0.000 0.433 259 N N 0.494 119.288 118.700 0.157 0.000 2.443 259 N HA -0.034 4.725 4.740 0.031 0.000 0.184 259 N C 1.447 177.094 175.510 0.229 0.000 1.037 259 N CA 0.461 53.664 53.050 0.255 0.000 0.896 259 N CB -0.057 38.652 38.487 0.371 0.000 0.959 259 N HN 0.288 nan 8.380 nan 0.000 0.442 260 L N -0.060 121.084 121.223 -0.131 0.000 2.465 260 L HA -0.143 4.216 4.340 0.031 0.000 0.224 260 L C 1.972 178.854 176.870 0.019 0.000 1.145 260 L CA 0.403 54.969 54.840 -0.455 0.000 0.834 260 L CB -0.397 41.228 42.059 -0.723 0.000 0.944 260 L HN 0.285 nan 8.230 nan 0.000 0.451 261 Y N 1.240 121.564 120.300 0.040 0.000 2.151 261 Y HA -0.354 4.215 4.550 0.031 0.000 0.284 261 Y C 2.731 178.716 175.900 0.141 0.000 1.166 261 Y CA 1.927 60.068 58.100 0.067 0.000 1.163 261 Y CB -0.076 38.418 38.460 0.056 0.000 0.974 261 Y HN 0.264 nan 8.280 nan 0.000 0.511 262 S N -1.225 114.652 115.700 0.296 0.000 2.593 262 S HA -0.014 4.474 4.470 0.031 0.000 0.217 262 S C 1.649 176.335 174.600 0.142 0.000 0.966 262 S CA -0.041 58.258 58.200 0.165 0.000 0.914 262 S CB -1.183 62.140 63.200 0.205 0.000 0.776 262 S HN 0.449 nan 8.310 nan 0.000 0.523 263 F N 2.257 122.194 119.950 -0.023 0.000 2.113 263 F HA 0.013 4.558 4.527 0.031 0.000 0.297 263 F C 2.913 178.715 175.800 0.004 0.000 1.103 263 F CA 0.935 58.950 58.000 0.024 0.000 1.248 263 F CB -0.502 38.533 39.000 0.059 0.000 0.999 263 F HN 0.347 nan 8.300 nan 0.000 0.475 264 A N -0.114 122.784 122.820 0.131 0.000 1.908 264 A HA -0.235 4.103 4.320 0.031 0.000 0.218 264 A C 2.126 179.712 177.584 0.004 0.000 1.181 264 A CA 2.000 54.061 52.037 0.039 0.000 0.627 264 A CB -0.950 18.032 19.000 -0.030 0.000 0.818 264 A HN 0.192 nan 8.150 nan 0.000 0.445 265 K N -0.506 119.879 120.400 -0.026 0.000 2.152 265 K HA -0.001 4.337 4.320 0.031 0.000 0.206 265 K C 1.844 178.436 176.600 -0.013 0.000 1.048 265 K CA 1.352 57.624 56.287 -0.025 0.000 0.933 265 K CB -0.803 31.677 32.500 -0.033 0.000 0.721 265 K HN 0.770 nan 8.250 nan 0.000 0.447 266 A N 0.449 123.260 122.820 -0.016 0.000 2.302 266 A HA 0.156 4.495 4.320 0.031 0.000 0.219 266 A C 0.142 177.725 177.584 -0.003 0.000 1.243 266 A CA 0.642 52.660 52.037 -0.032 0.000 0.856 266 A CB -0.227 18.710 19.000 -0.104 0.000 0.893 266 A HN 0.608 nan 8.150 nan 0.000 0.491 267 D N -1.674 118.735 120.400 0.016 0.000 2.708 267 D HA -0.217 4.441 4.640 0.031 0.000 0.236 267 D C 0.522 176.857 176.300 0.059 0.000 1.146 267 D CA 1.081 55.099 54.000 0.029 0.000 0.662 267 D CB -1.309 39.501 40.800 0.016 0.000 1.059 267 D HN 0.699 nan 8.370 nan 0.000 0.428 268 A N -0.832 122.055 122.820 0.111 0.000 2.568 268 A HA 0.579 4.917 4.320 0.031 0.000 0.287 268 A C 0.844 178.664 177.584 0.393 0.000 0.967 268 A CA 0.514 52.690 52.037 0.232 0.000 1.004 268 A CB 0.568 19.723 19.000 0.258 0.000 1.233 268 A HN 0.440 nan 8.150 nan 0.000 0.513 269 A N 1.558 124.522 122.820 0.240 0.000 2.567 269 A HA 0.482 4.820 4.320 0.031 0.000 0.240 269 A C -2.335 175.325 177.584 0.127 0.000 1.053 269 A CA -0.430 51.730 52.037 0.206 0.000 0.755 269 A CB -0.541 18.506 19.000 0.078 0.000 0.978 269 A HN 0.283 nan 8.150 nan 0.000 0.507 270 P HA 0.008 nan 4.420 nan 0.000 0.265 270 P C -0.013 177.260 177.300 -0.045 0.000 1.187 270 P CA 0.318 63.431 63.100 0.022 0.000 0.766 270 P CB 0.571 32.308 31.700 0.062 0.000 0.820 271 D N 2.300 122.635 120.400 -0.108 0.000 2.367 271 D HA 0.058 4.716 4.640 0.031 0.000 0.207 271 D C 0.153 176.437 176.300 -0.027 0.000 1.034 271 D CA 0.452 54.411 54.000 -0.068 0.000 0.861 271 D CB 0.017 40.759 40.800 -0.098 0.000 0.943 271 D HN 0.243 nan 8.370 nan 0.000 0.515 272 L N 0.408 121.623 121.223 -0.013 0.000 2.464 272 L HA 0.503 4.861 4.340 0.031 0.000 0.266 272 L C -1.880 175.020 176.870 0.050 0.000 0.965 272 L CA -0.814 54.043 54.840 0.028 0.000 0.833 272 L CB 2.396 44.480 42.059 0.041 0.000 1.296 272 L HN -0.273 nan 8.230 nan 0.000 0.405 273 V N 5.167 125.113 119.914 0.053 0.000 2.444 273 V HA 0.404 4.542 4.120 0.031 0.000 0.294 273 V C -0.628 175.501 176.094 0.058 0.000 1.022 273 V CA -0.531 61.797 62.300 0.047 0.000 0.850 273 V CB 1.725 33.553 31.823 0.008 0.000 0.992 273 V HN 0.576 nan 8.190 nan 0.000 0.426 274 L N 6.595 127.863 121.223 0.074 0.000 2.264 274 L HA 0.605 4.964 4.340 0.031 0.000 0.287 274 L C -0.236 176.661 176.870 0.045 0.000 1.039 274 L CA 0.081 54.969 54.840 0.080 0.000 0.829 274 L CB 0.899 43.038 42.059 0.135 0.000 1.211 274 L HN 0.644 nan 8.230 nan 0.000 0.427 275 M N 6.446 126.047 119.600 0.003 0.000 2.113 275 M HA 0.366 4.864 4.480 0.031 0.000 0.352 275 M C -0.774 175.510 176.300 -0.027 0.000 1.170 275 M CA -0.030 55.240 55.300 -0.050 0.000 1.053 275 M CB 0.995 33.510 32.600 -0.142 0.000 1.601 275 M HN 0.445 nan 8.290 nan 0.000 0.459 276 L N 3.534 124.746 121.223 -0.018 0.000 2.387 276 L HA 0.426 4.784 4.340 0.031 0.000 0.259 276 L C 0.938 177.791 176.870 -0.028 0.000 1.050 276 L CA -0.332 54.501 54.840 -0.011 0.000 0.922 276 L CB 0.703 42.770 42.059 0.013 0.000 1.280 276 L HN 1.118 nan 8.230 nan 0.000 0.449 277 G N 1.817 110.593 108.800 -0.039 0.000 2.184 277 G HA2 -0.305 3.673 3.960 0.031 0.000 0.264 277 G HA3 -0.305 3.673 3.960 0.031 0.000 0.264 277 G C 0.455 175.313 174.900 -0.069 0.000 0.975 277 G CA 0.177 45.249 45.100 -0.048 0.000 0.642 277 G HN 0.733 nan 8.290 nan 0.000 0.536 278 A N 0.637 123.404 122.820 -0.088 0.000 2.347 278 A HA 0.706 5.045 4.320 0.031 0.000 0.287 278 A C 0.825 178.312 177.584 -0.163 0.000 1.199 278 A CA -0.029 51.936 52.037 -0.121 0.000 0.851 278 A CB 0.214 19.131 19.000 -0.138 0.000 1.118 278 A HN 0.522 nan 8.150 nan 0.000 0.525 279 R N 1.216 121.657 120.500 -0.097 0.000 2.560 279 R HA 0.337 4.695 4.340 0.031 0.000 0.270 279 R C -1.030 175.200 176.300 -0.118 0.000 1.074 279 R CA -0.236 55.834 56.100 -0.049 0.000 1.140 279 R CB 0.602 30.962 30.300 0.099 0.000 1.073 279 R HN 0.658 nan 8.270 nan 0.000 0.527 280 F N 0.877 120.847 119.950 0.033 0.000 2.506 280 F HA 0.301 4.847 4.527 0.031 0.000 0.371 280 F C 1.317 177.109 175.800 -0.014 0.000 1.078 280 F CA 1.252 59.259 58.000 0.012 0.000 1.195 280 F CB 0.982 39.998 39.000 0.026 0.000 1.099 280 F HN 0.669 nan 8.300 nan 0.000 0.548 281 G N 2.186 111.015 108.800 0.047 0.000 2.356 281 G HA2 0.106 4.084 3.960 0.031 0.000 0.281 281 G HA3 0.106 4.084 3.960 0.031 0.000 0.281 281 G C -0.282 174.287 174.900 -0.551 0.000 1.246 281 G CA -0.651 44.328 45.100 -0.201 0.000 0.889 281 G HN 0.516 nan 8.290 nan 0.000 0.486 282 L N 0.723 121.586 121.223 -0.600 0.000 2.043 282 L HA -0.009 4.349 4.340 0.031 0.000 0.212 282 L C 2.098 178.826 176.870 -0.237 0.000 1.075 282 L CA 2.787 57.330 54.840 -0.495 0.000 0.752 282 L CB -0.484 41.514 42.059 -0.102 0.000 0.891 282 L HN 0.527 nan 8.230 nan 0.000 0.432 283 N N -1.339 117.328 118.700 -0.055 0.000 2.446 283 N HA -0.023 4.735 4.740 0.031 0.000 0.179 283 N C 1.125 176.552 175.510 -0.137 0.000 1.054 283 N CA 1.267 54.255 53.050 -0.103 0.000 0.905 283 N CB -0.118 38.291 38.487 -0.129 0.000 0.973 283 N HN 0.592 nan 8.380 nan 0.000 0.448 284 T N -3.606 110.866 114.554 -0.136 0.000 3.174 284 T HA 0.409 4.778 4.350 0.031 0.000 0.269 284 T C 1.084 175.749 174.700 -0.058 0.000 1.017 284 T CA 0.108 62.137 62.100 -0.118 0.000 0.899 284 T CB 0.453 69.224 68.868 -0.161 0.000 1.077 284 T HN 0.184 nan 8.240 nan 0.000 0.552 285 G N 1.660 110.409 108.800 -0.085 0.000 2.137 285 G HA2 -0.260 3.718 3.960 0.031 0.000 0.237 285 G HA3 -0.260 3.718 3.960 0.031 0.000 0.237 285 G C 0.294 175.291 174.900 0.161 0.000 1.002 285 G CA 0.464 45.592 45.100 0.047 0.000 0.702 285 G HN 0.886 nan 8.290 nan 0.000 0.515 286 H N -1.616 117.521 119.070 0.111 0.000 1.452 286 H HA -0.246 4.328 4.556 0.031 0.000 0.090 286 H C 2.004 177.444 175.328 0.185 0.000 0.968 286 H CA 2.662 58.784 56.048 0.123 0.000 1.901 286 H CB -1.239 28.556 29.762 0.054 0.000 2.257 286 H HN 1.179 nan 8.280 nan 0.000 0.961 287 G N -0.795 108.160 108.800 0.259 0.000 3.502 287 G HA2 0.244 4.222 3.960 0.031 0.000 0.267 287 G HA3 0.244 4.222 3.960 0.031 0.000 0.267 287 G C 1.110 176.162 174.900 0.253 0.000 1.090 287 G CA 0.604 45.799 45.100 0.158 0.000 0.795 287 G HN 0.696 nan 8.290 nan 0.000 0.535 288 S N -0.404 115.416 115.700 0.199 0.000 2.453 288 S HA 0.222 4.711 4.470 0.031 0.000 0.231 288 S C 2.119 176.662 174.600 -0.094 0.000 1.005 288 S CA 1.195 59.471 58.200 0.127 0.000 0.949 288 S CB -0.261 63.010 63.200 0.118 0.000 0.774 288 S HN 1.417 nan 8.310 nan 0.000 0.510 289 G N 0.875 109.555 108.800 -0.200 0.000 2.168 289 G HA2 -0.333 3.645 3.960 0.031 0.000 0.263 289 G HA3 -0.333 3.645 3.960 0.031 0.000 0.263 289 G C 0.676 175.411 174.900 -0.275 0.000 0.977 289 G CA 0.611 45.386 45.100 -0.543 0.000 0.659 289 G HN 0.581 nan 8.290 nan 0.000 0.533 290 Q N -0.932 118.798 119.800 -0.117 0.000 2.230 290 Q HA 0.211 4.569 4.340 0.031 0.000 0.202 290 Q C 2.564 178.523 176.000 -0.067 0.000 0.963 290 Q CA 1.293 57.049 55.803 -0.077 0.000 0.866 290 Q CB 0.023 28.796 28.738 0.057 0.000 0.931 290 Q HN 0.704 nan 8.270 nan 0.000 0.452 291 L N -0.756 120.436 121.223 -0.051 0.000 2.519 291 L HA 0.163 4.522 4.340 0.031 0.000 0.194 291 L C 0.447 177.231 176.870 -0.144 0.000 1.072 291 L CA -0.109 54.669 54.840 -0.103 0.000 0.845 291 L CB 0.445 42.451 42.059 -0.088 0.000 1.138 291 L HN 0.082 nan 8.230 nan 0.000 0.487 292 I N 2.310 122.838 120.570 -0.070 0.000 2.287 292 I HA 0.277 4.465 4.170 0.031 0.000 0.290 292 I C -2.305 173.809 176.117 -0.004 0.000 1.069 292 I CA -2.582 58.705 61.300 -0.022 0.000 1.237 292 I CB -0.102 37.951 38.000 0.090 0.000 1.418 292 I HN -0.205 nan 8.210 nan 0.000 0.481 293 P HA 0.080 nan 4.420 nan 0.000 0.268 293 P C 0.826 178.140 177.300 0.024 0.000 1.205 293 P CA 0.044 63.105 63.100 -0.064 0.000 0.771 293 P CB 0.480 32.162 31.700 -0.030 0.000 0.858 294 H N 0.735 119.818 119.070 0.021 0.000 2.456 294 H HA -0.089 4.485 4.556 0.031 0.000 0.296 294 H C 1.707 177.040 175.328 0.008 0.000 1.079 294 H CA 2.008 58.063 56.048 0.011 0.000 1.322 294 H CB -0.772 28.989 29.762 -0.002 0.000 1.388 294 H HN 0.430 nan 8.280 nan 0.000 0.538 295 S N -0.171 115.598 115.700 0.115 0.000 2.527 295 S HA 0.244 4.732 4.470 0.031 0.000 0.222 295 S C 1.338 175.963 174.600 0.043 0.000 0.985 295 S CA 0.101 58.339 58.200 0.062 0.000 0.921 295 S CB 0.015 63.237 63.200 0.036 0.000 0.772 295 S HN 0.416 nan 8.310 nan 0.000 0.529 296 A N 1.566 124.415 122.820 0.048 0.000 2.371 296 A HA 0.377 4.716 4.320 0.031 0.000 0.257 296 A C 0.207 177.822 177.584 0.052 0.000 1.089 296 A CA -0.497 51.562 52.037 0.038 0.000 0.794 296 A CB 0.144 19.164 19.000 0.034 0.000 1.029 296 A HN 0.502 nan 8.150 nan 0.000 0.488 297 Q N 0.812 120.636 119.800 0.040 0.000 2.293 297 Q HA 0.361 4.720 4.340 0.031 0.000 0.263 297 Q C -0.905 175.135 176.000 0.067 0.000 1.002 297 Q CA -0.113 55.720 55.803 0.049 0.000 0.910 297 Q CB 1.081 29.841 28.738 0.037 0.000 1.185 297 Q HN 0.497 nan 8.270 nan 0.000 0.401 298 V N 5.466 125.432 119.914 0.088 0.000 2.394 298 V HA 0.383 4.521 4.120 0.031 0.000 0.282 298 V C -0.061 176.090 176.094 0.096 0.000 1.031 298 V CA -0.508 61.858 62.300 0.109 0.000 0.881 298 V CB 1.279 33.216 31.823 0.189 0.000 0.982 298 V HN 0.625 nan 8.190 nan 0.000 0.451 299 I N 4.840 125.458 120.570 0.081 0.000 2.362 299 I HA 0.470 4.658 4.170 0.031 0.000 0.289 299 I C -0.119 176.035 176.117 0.061 0.000 0.994 299 I CA -0.157 61.186 61.300 0.071 0.000 1.158 299 I CB 1.461 39.504 38.000 0.071 0.000 1.315 299 I HN 0.613 nan 8.210 nan 0.000 0.451 300 Q N 5.824 125.661 119.800 0.063 0.000 2.340 300 Q HA 0.628 4.986 4.340 0.031 0.000 0.268 300 Q C -1.788 174.231 176.000 0.032 0.000 1.031 300 Q CA -0.681 55.148 55.803 0.044 0.000 0.804 300 Q CB 2.557 31.346 28.738 0.084 0.000 1.286 300 Q HN 0.506 nan 8.270 nan 0.000 0.448 301 V N 4.331 124.251 119.914 0.011 0.000 2.409 301 V HA 0.518 4.657 4.120 0.031 0.000 0.291 301 V C -0.656 175.437 176.094 -0.003 0.000 1.020 301 V CA -0.536 61.767 62.300 0.004 0.000 0.848 301 V CB 1.680 33.500 31.823 -0.006 0.000 0.990 301 V HN 0.824 nan 8.190 nan 0.000 0.430 302 D N 5.506 125.908 120.400 0.003 0.000 2.736 302 D HA 0.341 4.999 4.640 0.031 0.000 0.223 302 D C -2.331 173.970 176.300 0.000 0.000 1.231 302 D CA -1.215 52.784 54.000 -0.003 0.000 0.818 302 D CB 3.842 44.644 40.800 0.004 0.000 1.587 302 D HN 0.247 nan 8.370 nan 0.000 0.463 303 P HA 0.031 nan 4.420 nan 0.000 0.237 303 P C -0.046 177.256 177.300 0.004 0.000 1.178 303 P CA 0.514 63.613 63.100 -0.002 0.000 0.766 303 P CB 0.491 32.186 31.700 -0.007 0.000 0.876 304 D N -0.093 120.309 120.400 0.005 0.000 2.441 304 D HA 0.378 5.037 4.640 0.031 0.000 0.231 304 D C 1.164 177.480 176.300 0.026 0.000 1.073 304 D CA -0.682 53.326 54.000 0.014 0.000 0.850 304 D CB 1.411 42.213 40.800 0.004 0.000 1.062 304 D HN -0.170 nan 8.370 nan 0.000 0.524 305 A N 3.093 125.930 122.820 0.028 0.000 1.978 305 A HA -0.215 4.123 4.320 0.031 0.000 0.220 305 A C 2.420 180.029 177.584 0.042 0.000 1.170 305 A CA 1.712 53.769 52.037 0.033 0.000 0.636 305 A CB -0.989 18.028 19.000 0.029 0.000 0.810 305 A HN 0.846 nan 8.150 nan 0.000 0.448 306 C N -0.999 118.326 119.300 0.043 0.000 2.419 306 C HA -0.038 4.440 4.460 0.031 0.000 0.281 306 C C 2.020 177.047 174.990 0.062 0.000 1.336 306 C CA 1.073 60.121 59.018 0.049 0.000 1.770 306 C CB -1.062 26.709 27.740 0.052 0.000 1.929 306 C HN 0.568 nan 8.230 nan 0.000 0.509 307 E N 1.293 121.533 120.200 0.067 0.000 2.274 307 E HA 0.137 4.506 4.350 0.031 0.000 0.194 307 E C 0.850 177.534 176.600 0.141 0.000 0.996 307 E CA 0.200 56.660 56.400 0.099 0.000 0.840 307 E CB -0.334 29.412 29.700 0.077 0.000 0.772 307 E HN 0.728 nan 8.360 nan 0.000 0.491 308 L N 1.264 122.550 121.223 0.106 0.000 2.565 308 L HA 0.085 4.444 4.340 0.031 0.000 0.275 308 L C 1.159 178.104 176.870 0.124 0.000 1.137 308 L CA 0.358 55.272 54.840 0.123 0.000 0.915 308 L CB -0.160 41.946 42.059 0.078 0.000 1.232 308 L HN 0.215 nan 8.230 nan 0.000 0.473 309 G N 2.730 111.650 108.800 0.201 0.000 2.198 309 G HA2 -0.337 3.642 3.960 0.031 0.000 0.260 309 G HA3 -0.337 3.642 3.960 0.031 0.000 0.260 309 G C 1.302 176.159 174.900 -0.072 0.000 1.025 309 G CA 0.693 45.814 45.100 0.035 0.000 0.769 309 G HN 0.813 nan 8.290 nan 0.000 0.507 310 R N -0.482 120.045 120.500 0.045 0.000 2.113 310 R HA -0.055 4.304 4.340 0.031 0.000 0.244 310 R C 1.845 178.085 176.300 -0.099 0.000 1.142 310 R CA 2.018 58.128 56.100 0.017 0.000 0.953 310 R CB -0.213 30.157 30.300 0.116 0.000 0.860 310 R HN 0.559 nan 8.270 nan 0.000 0.438 311 L N -0.886 120.173 121.223 -0.275 0.000 2.906 311 L HA 0.315 4.673 4.340 0.031 0.000 0.255 311 L C 0.007 176.612 176.870 -0.443 0.000 1.166 311 L CA -0.198 54.474 54.840 -0.280 0.000 0.977 311 L CB 0.832 42.819 42.059 -0.119 0.000 1.313 311 L HN 0.227 nan 8.230 nan 0.000 0.549 312 Q N -0.221 119.188 119.800 -0.652 0.000 2.438 312 Q HA 0.453 4.811 4.340 0.031 0.000 0.272 312 Q C -0.555 175.228 176.000 -0.362 0.000 0.994 312 Q CA -0.550 54.924 55.803 -0.549 0.000 0.887 312 Q CB 2.191 30.449 28.738 -0.800 0.000 1.432 312 Q HN 0.122 nan 8.270 nan 0.000 0.392 313 G N 3.049 111.733 108.800 -0.192 0.000 2.398 313 G HA2 0.447 4.425 3.960 0.031 0.000 0.246 313 G HA3 0.447 4.425 3.960 0.031 0.000 0.246 313 G C -0.048 174.837 174.900 -0.025 0.000 1.289 313 G CA -0.170 44.874 45.100 -0.095 0.000 0.869 313 G HN 0.631 nan 8.290 nan 0.000 0.543 314 I N -0.532 120.048 120.570 0.017 0.000 2.957 314 I HA 0.769 4.958 4.170 0.031 0.000 0.310 314 I C 0.888 177.035 176.117 0.051 0.000 1.063 314 I CA -1.340 60.005 61.300 0.074 0.000 1.033 314 I CB 2.272 40.350 38.000 0.130 0.000 1.230 314 I HN 0.440 nan 8.210 nan 0.000 0.447 315 A N 2.982 125.837 122.820 0.060 0.000 1.984 315 A HA 0.407 4.745 4.320 0.031 0.000 0.214 315 A C 0.422 178.030 177.584 0.041 0.000 1.173 315 A CA 0.795 52.858 52.037 0.043 0.000 0.673 315 A CB 0.043 19.070 19.000 0.044 0.000 0.830 315 A HN 0.652 nan 8.150 nan 0.000 0.453 316 L N -1.418 119.836 121.223 0.051 0.000 2.614 316 L HA 0.648 5.006 4.340 0.031 0.000 0.264 316 L C -0.603 176.297 176.870 0.050 0.000 0.940 316 L CA -0.043 54.824 54.840 0.044 0.000 0.903 316 L CB 1.384 43.468 42.059 0.043 0.000 1.306 316 L HN 0.105 nan 8.230 nan 0.000 0.410 317 G N 5.837 114.663 108.800 0.043 0.000 2.605 317 G HA2 0.642 4.620 3.960 0.031 0.000 0.304 317 G HA3 0.642 4.620 3.960 0.031 0.000 0.304 317 G C -1.066 173.855 174.900 0.034 0.000 1.333 317 G CA -0.290 44.837 45.100 0.047 0.000 0.973 317 G HN 0.531 nan 8.290 nan 0.000 0.507 318 I N 2.251 122.839 120.570 0.030 0.000 2.378 318 I HA 0.248 4.436 4.170 0.031 0.000 0.291 318 I C -0.254 175.872 176.117 0.015 0.000 0.992 318 I CA -1.023 60.288 61.300 0.019 0.000 1.154 318 I CB 2.417 40.424 38.000 0.012 0.000 1.315 318 I HN 0.058 nan 8.210 nan 0.000 0.448 319 V N 6.323 126.245 119.914 0.012 0.000 2.348 319 V HA 0.794 4.932 4.120 0.031 0.000 0.270 319 V C 0.298 176.394 176.094 0.003 0.000 1.037 319 V CA -0.030 62.276 62.300 0.010 0.000 0.872 319 V CB 0.566 32.396 31.823 0.012 0.000 1.002 319 V HN 0.898 nan 8.190 nan 0.000 0.464 320 A N 3.861 126.681 122.820 -0.001 0.000 2.586 320 A HA 0.620 4.958 4.320 0.031 0.000 0.290 320 A C -1.220 176.360 177.584 -0.008 0.000 1.086 320 A CA -0.762 51.272 52.037 -0.005 0.000 0.665 320 A CB 1.215 20.208 19.000 -0.011 0.000 1.279 320 A HN 0.692 nan 8.150 nan 0.000 0.423 321 D N -0.209 120.186 120.400 -0.008 0.000 2.345 321 D HA 0.381 5.039 4.640 0.031 0.000 0.247 321 D C 1.099 177.389 176.300 -0.016 0.000 1.108 321 D CA 0.148 54.142 54.000 -0.009 0.000 0.894 321 D CB 1.251 42.050 40.800 -0.001 0.000 1.203 321 D HN 0.200 nan 8.370 nan 0.000 0.430 322 V N 3.788 123.692 119.914 -0.017 0.000 2.358 322 V HA -0.060 4.078 4.120 0.031 0.000 0.246 322 V C 2.297 178.376 176.094 -0.024 0.000 1.047 322 V CA 2.143 64.430 62.300 -0.022 0.000 1.035 322 V CB -0.895 30.916 31.823 -0.021 0.000 0.658 322 V HN 0.831 nan 8.190 nan 0.000 0.452 323 G N 0.267 109.058 108.800 -0.015 0.000 2.459 323 G HA2 -0.198 3.781 3.960 0.031 0.000 0.217 323 G HA3 -0.198 3.781 3.960 0.031 0.000 0.217 323 G C 1.660 176.553 174.900 -0.013 0.000 1.183 323 G CA 1.011 46.105 45.100 -0.010 0.000 0.776 323 G HN 0.580 nan 8.290 nan 0.000 0.552 324 G N -0.027 108.769 108.800 -0.007 0.000 2.442 324 G HA2 -0.156 3.823 3.960 0.031 0.000 0.219 324 G HA3 -0.156 3.823 3.960 0.031 0.000 0.219 324 G C 1.847 176.721 174.900 -0.043 0.000 1.141 324 G CA 1.782 46.876 45.100 -0.010 0.000 0.763 324 G HN 0.404 nan 8.290 nan 0.000 0.554 325 T N 1.196 115.717 114.554 -0.054 0.000 2.777 325 T HA -0.015 4.353 4.350 0.031 0.000 0.266 325 T C 2.385 176.995 174.700 -0.150 0.000 1.040 325 T CA 0.857 62.904 62.100 -0.089 0.000 1.141 325 T CB -0.128 68.695 68.868 -0.074 0.000 0.868 325 T HN 0.256 nan 8.240 nan 0.000 0.444 326 I N 0.952 121.448 120.570 -0.123 0.000 2.226 326 I HA -0.142 4.046 4.170 0.031 0.000 0.245 326 I C 2.733 178.758 176.117 -0.153 0.000 1.100 326 I CA 1.092 62.298 61.300 -0.157 0.000 1.374 326 I CB -0.315 37.651 38.000 -0.055 0.000 1.057 326 I HN 0.174 nan 8.210 nan 0.000 0.413 327 E N 1.008 121.155 120.200 -0.088 0.000 2.058 327 E HA -0.230 4.139 4.350 0.031 0.000 0.194 327 E C 2.357 178.900 176.600 -0.094 0.000 0.997 327 E CA 1.567 57.927 56.400 -0.067 0.000 0.801 327 E CB -0.323 29.356 29.700 -0.034 0.000 0.746 327 E HN 0.514 nan 8.360 nan 0.000 0.450 328 A N 1.217 123.972 122.820 -0.110 0.000 1.902 328 A HA -0.152 4.186 4.320 0.031 0.000 0.217 328 A C 2.412 179.901 177.584 -0.159 0.000 1.181 328 A CA 1.182 53.154 52.037 -0.109 0.000 0.623 328 A CB -0.733 18.210 19.000 -0.094 0.000 0.818 328 A HN 0.168 nan 8.150 nan 0.000 0.443 329 L N -0.842 120.199 121.223 -0.303 0.000 2.046 329 L HA -0.183 4.175 4.340 0.031 0.000 0.208 329 L C 3.106 179.771 176.870 -0.342 0.000 1.077 329 L CA 1.050 55.570 54.840 -0.532 0.000 0.747 329 L CB -0.550 40.737 42.059 -1.288 0.000 0.896 329 L HN 0.432 nan 8.230 nan 0.000 0.432 330 A N -0.653 122.037 122.820 -0.217 0.000 1.877 330 A HA -0.277 4.061 4.320 0.031 0.000 0.216 330 A C 2.288 179.872 177.584 -0.001 0.000 1.186 330 A CA 2.066 54.091 52.037 -0.019 0.000 0.620 330 A CB -0.786 18.215 19.000 0.001 0.000 0.822 330 A HN 0.366 nan 8.150 nan 0.000 0.443 331 Q N -0.753 119.030 119.800 -0.028 0.000 2.084 331 Q HA -0.064 4.294 4.340 0.031 0.000 0.202 331 Q C 2.372 178.384 176.000 0.020 0.000 0.978 331 Q CA 1.900 57.699 55.803 -0.006 0.000 0.844 331 Q CB -0.859 27.866 28.738 -0.023 0.000 0.898 331 Q HN 0.958 nan 8.270 nan 0.000 0.426 332 A N 0.118 122.948 122.820 0.017 0.000 2.015 332 A HA -0.069 4.270 4.320 0.031 0.000 0.219 332 A C 2.221 179.890 177.584 0.141 0.000 1.163 332 A CA 1.860 53.936 52.037 0.064 0.000 0.646 332 A CB -0.597 18.436 19.000 0.053 0.000 0.806 332 A HN 0.753 nan 8.150 nan 0.000 0.448 333 T N -4.203 110.438 114.554 0.145 0.000 3.069 333 T HA 0.525 4.893 4.350 0.031 0.000 0.252 333 T C 1.577 176.364 174.700 0.144 0.000 1.053 333 T CA 0.785 63.013 62.100 0.212 0.000 0.964 333 T CB 0.296 69.253 68.868 0.147 0.000 1.005 333 T HN 0.375 nan 8.240 nan 0.000 0.532 334 A N 1.393 124.272 122.820 0.098 0.000 1.873 334 A HA 0.244 4.582 4.320 0.031 0.000 0.215 334 A C 2.392 180.021 177.584 0.075 0.000 1.186 334 A CA 1.644 53.722 52.037 0.069 0.000 0.616 334 A CB -1.027 18.001 19.000 0.045 0.000 0.823 334 A HN 0.762 nan 8.150 nan 0.000 0.442 335 Q N -0.608 119.241 119.800 0.082 0.000 2.157 335 Q HA 0.303 4.662 4.340 0.031 0.000 0.229 335 Q C 0.942 176.998 176.000 0.094 0.000 0.827 335 Q CA 0.564 56.410 55.803 0.072 0.000 1.055 335 Q CB -0.359 nan 28.738 nan 0.000 1.157 335 Q HN 0.614 nan 8.270 nan 0.000 0.482 336 D N 0.684 121.171 120.400 0.145 0.000 2.103 336 D HA 0.219 4.877 4.640 0.031 0.000 0.199 336 D C 1.271 177.664 176.300 0.155 0.000 0.978 336 D CA 1.594 55.705 54.000 0.185 0.000 0.829 336 D CB -0.101 40.918 40.800 0.366 0.000 0.981 336 D HN 0.958 nan 8.370 nan 0.000 0.464 337 A N -0.408 122.525 122.820 0.188 0.000 6.071 337 A HA 0.017 4.355 4.320 0.031 0.000 0.652 337 A C 0.419 178.078 177.584 0.124 0.000 1.912 337 A CA 0.968 53.106 52.037 0.169 0.000 2.167 337 A CB -1.327 nan 19.000 nan 0.000 1.405 337 A HN 0.713 nan 8.150 nan 0.000 0.732 338 A N -1.219 121.638 122.820 0.061 0.000 2.260 338 A HA 0.557 4.895 4.320 0.031 0.000 0.308 338 A C -0.363 177.280 177.584 0.098 0.000 1.254 338 A CA -0.166 51.943 52.037 0.119 0.000 0.874 338 A CB 0.025 19.064 19.000 0.064 0.000 1.153 338 A HN 1.085 nan 8.150 nan 0.000 0.527 339 W N 2.317 123.629 121.300 0.019 0.000 2.237 339 W HA 0.488 5.167 4.660 0.031 0.000 0.335 339 W C -1.868 174.661 176.519 0.016 0.000 1.230 339 W CA -1.382 55.974 57.345 0.019 0.000 1.253 339 W CB 0.003 29.474 29.460 0.018 0.000 1.129 339 W HN 0.473 nan 8.180 nan 0.000 0.590 340 P HA -0.112 nan 4.420 nan 0.000 0.265 340 P C -0.219 177.176 177.300 0.158 0.000 1.187 340 P CA 0.105 63.282 63.100 0.129 0.000 0.766 340 P CB 0.477 32.238 31.700 0.101 0.000 0.820 341 D N 2.698 123.163 120.400 0.109 0.000 2.458 341 D HA -0.046 4.612 4.640 0.031 0.000 0.243 341 D C 0.384 176.755 176.300 0.118 0.000 1.146 341 D CA 0.200 54.259 54.000 0.099 0.000 0.877 341 D CB 0.621 41.464 40.800 0.072 0.000 1.176 341 D HN 0.189 nan 8.370 nan 0.000 0.461 342 R N 2.791 123.367 120.500 0.126 0.000 2.577 342 R HA 0.145 4.503 4.340 0.031 0.000 0.344 342 R C 1.595 177.989 176.300 0.158 0.000 1.037 342 R CA -0.125 56.084 56.100 0.180 0.000 1.102 342 R CB 0.617 31.040 30.300 0.205 0.000 1.313 342 R HN 0.531 nan 8.270 nan 0.000 0.561 343 G N 1.714 110.575 108.800 0.102 0.000 2.491 343 G HA2 -0.283 3.695 3.960 0.031 0.000 0.218 343 G HA3 -0.283 3.695 3.960 0.031 0.000 0.218 343 G C 0.899 175.848 174.900 0.081 0.000 1.180 343 G CA 0.965 46.105 45.100 0.067 0.000 0.774 343 G HN 0.189 nan 8.290 nan 0.000 0.562 344 D N -0.851 119.619 120.400 0.115 0.000 2.144 344 D HA -0.088 4.570 4.640 0.031 0.000 0.200 344 D C 1.878 178.300 176.300 0.202 0.000 0.978 344 D CA 0.475 54.550 54.000 0.125 0.000 0.833 344 D CB -0.444 40.429 40.800 0.121 0.000 0.961 344 D HN 0.605 nan 8.370 nan 0.000 0.470 345 W N 1.035 122.359 121.300 0.040 0.000 2.381 345 W HA -0.226 4.452 4.660 0.031 0.000 0.301 345 W C 1.774 178.339 176.519 0.076 0.000 1.205 345 W CA 0.671 58.056 57.345 0.066 0.000 1.285 345 W CB -0.251 29.257 29.460 0.080 0.000 1.133 345 W HN -0.017 nan 8.180 nan 0.000 0.521 346 C N 0.938 120.197 119.300 -0.068 0.000 2.429 346 C HA -0.147 4.332 4.460 0.031 0.000 0.277 346 C C 3.171 178.057 174.990 -0.174 0.000 1.262 346 C CA 1.712 60.603 59.018 -0.212 0.000 1.733 346 C CB -1.606 26.070 27.740 -0.106 0.000 2.010 346 C HN 0.505 nan 8.230 nan 0.000 0.483 347 A N 0.466 123.239 122.820 -0.078 0.000 1.933 347 A HA -0.211 4.127 4.320 0.031 0.000 0.218 347 A C 2.070 179.603 177.584 -0.085 0.000 1.175 347 A CA 2.219 54.218 52.037 -0.063 0.000 0.628 347 A CB -0.480 18.509 19.000 -0.018 0.000 0.814 347 A HN 0.545 nan 8.150 nan 0.000 0.444 348 K N -0.124 120.227 120.400 -0.082 0.000 2.057 348 K HA -0.064 4.274 4.320 0.031 0.000 0.207 348 K C 1.681 178.134 176.600 -0.244 0.000 1.049 348 K CA 1.752 57.970 56.287 -0.116 0.000 0.931 348 K CB -0.640 31.869 32.500 0.015 0.000 0.714 348 K HN 0.179 nan 8.250 nan 0.000 0.440 349 V N 0.510 120.227 119.914 -0.328 0.000 2.295 349 V HA -0.275 3.863 4.120 0.031 0.000 0.246 349 V C 2.080 178.125 176.094 -0.081 0.000 1.049 349 V CA 2.387 64.589 62.300 -0.162 0.000 1.024 349 V CB -0.760 30.914 31.823 -0.248 0.000 0.648 349 V HN 0.465 nan 8.190 nan 0.000 0.447 350 T N -0.863 113.616 114.554 -0.126 0.000 2.746 350 T HA -0.244 4.124 4.350 0.031 0.000 0.267 350 T C 1.824 176.484 174.700 -0.067 0.000 1.039 350 T CA 1.817 63.862 62.100 -0.092 0.000 1.142 350 T CB -0.379 68.430 68.868 -0.099 0.000 0.866 350 T HN 0.656 nan 8.240 nan 0.000 0.444 351 D N 0.414 120.765 120.400 -0.081 0.000 2.117 351 D HA 0.025 4.684 4.640 0.031 0.000 0.198 351 D C 2.400 178.663 176.300 -0.061 0.000 0.982 351 D CA 0.705 54.667 54.000 -0.064 0.000 0.828 351 D CB -0.335 40.425 40.800 -0.066 0.000 0.967 351 D HN 0.418 nan 8.370 nan 0.000 0.464 352 L N 0.026 121.180 121.223 -0.116 0.000 2.083 352 L HA -0.030 4.329 4.340 0.031 0.000 0.209 352 L C 3.089 179.976 176.870 0.029 0.000 1.083 352 L CA 1.364 56.136 54.840 -0.113 0.000 0.752 352 L CB -0.545 41.289 42.059 -0.375 0.000 0.899 352 L HN 0.248 nan 8.230 nan 0.000 0.433 353 A N -0.389 122.472 122.820 0.067 0.000 1.877 353 A HA -0.248 4.090 4.320 0.031 0.000 0.216 353 A C 2.220 179.866 177.584 0.102 0.000 1.186 353 A CA 1.534 53.639 52.037 0.112 0.000 0.620 353 A CB -0.495 18.552 19.000 0.079 0.000 0.822 353 A HN 0.459 nan 8.150 nan 0.000 0.443 354 Q N -0.999 118.830 119.800 0.048 0.000 2.096 354 Q HA -0.177 4.181 4.340 0.031 0.000 0.204 354 Q C 2.366 178.433 176.000 0.111 0.000 0.982 354 Q CA 2.045 57.885 55.803 0.061 0.000 0.850 354 Q CB -0.456 28.287 28.738 0.008 0.000 0.901 354 Q HN 0.847 nan 8.270 nan 0.000 0.422 355 E N 1.837 122.079 120.200 0.069 0.000 2.058 355 E HA -0.252 4.117 4.350 0.031 0.000 0.194 355 E C 1.739 178.390 176.600 0.085 0.000 0.997 355 E CA 1.515 57.952 56.400 0.061 0.000 0.801 355 E CB -0.658 29.058 29.700 0.026 0.000 0.746 355 E HN 0.366 nan 8.360 nan 0.000 0.450 356 R N -1.591 118.975 120.500 0.109 0.000 2.080 356 R HA -0.147 4.212 4.340 0.031 0.000 0.236 356 R C 2.366 178.736 176.300 0.118 0.000 1.137 356 R CA 1.964 58.130 56.100 0.110 0.000 0.943 356 R CB -0.592 29.794 30.300 0.142 0.000 0.846 356 R HN 0.588 nan 8.270 nan 0.000 0.431 357 Y N 0.645 120.980 120.300 0.059 0.000 2.114 357 Y HA -0.219 4.349 4.550 0.030 0.000 0.284 357 Y C 2.218 178.152 175.900 0.058 0.000 1.143 357 Y CA 1.988 60.147 58.100 0.098 0.000 1.135 357 Y CB -0.440 38.108 38.460 0.146 0.000 0.980 357 Y HN 0.238 nan 8.280 nan 0.000 0.499 358 A N -0.747 122.228 122.820 0.258 0.000 1.940 358 A HA -0.209 4.129 4.320 0.031 0.000 0.219 358 A C 2.379 179.964 177.584 0.001 0.000 1.176 358 A CA 2.134 54.255 52.037 0.139 0.000 0.631 358 A CB -1.153 17.928 19.000 0.135 0.000 0.814 358 A HN 0.520 nan 8.150 nan 0.000 0.446 359 S N -0.320 115.371 115.700 -0.015 0.000 2.368 359 S HA -0.089 4.399 4.470 0.031 0.000 0.224 359 S C 1.804 176.321 174.600 -0.139 0.000 1.029 359 S CA 1.431 59.600 58.200 -0.051 0.000 0.988 359 S CB -0.460 62.728 63.200 -0.021 0.000 0.838 359 S HN 0.552 nan 8.310 nan 0.000 0.462 360 I N 1.773 122.192 120.570 -0.252 0.000 2.179 360 I HA -0.211 3.978 4.170 0.031 0.000 0.242 360 I C 2.722 178.463 176.117 -0.628 0.000 1.088 360 I CA 1.051 62.064 61.300 -0.478 0.000 1.357 360 I CB -0.570 36.989 38.000 -0.735 0.000 1.051 360 I HN 0.250 nan 8.210 nan 0.000 0.409 361 A N 0.939 123.423 122.820 -0.559 0.000 1.892 361 A HA -0.283 4.055 4.320 0.031 0.000 0.218 361 A C 2.500 180.018 177.584 -0.109 0.000 1.188 361 A CA 2.302 54.225 52.037 -0.190 0.000 0.631 361 A CB -1.063 17.948 19.000 0.018 0.000 0.822 361 A HN 0.461 nan 8.150 nan 0.000 0.447 362 A N -1.058 121.706 122.820 -0.095 0.000 2.125 362 A HA -0.082 4.256 4.320 0.031 0.000 0.219 362 A C 1.893 179.433 177.584 -0.074 0.000 1.156 362 A CA 1.669 53.674 52.037 -0.053 0.000 0.671 362 A CB -0.291 18.690 19.000 -0.031 0.000 0.794 362 A HN 0.555 nan 8.150 nan 0.000 0.459 363 K N -0.044 120.280 120.400 -0.127 0.000 2.372 363 K HA 0.203 4.541 4.320 0.031 0.000 0.200 363 K C -0.549 175.950 176.600 -0.167 0.000 1.022 363 K CA -0.019 56.208 56.287 -0.100 0.000 1.125 363 K CB 0.552 33.018 32.500 -0.057 0.000 0.855 363 K HN 0.261 nan 8.250 nan 0.000 0.524 364 S N 0.546 116.051 115.700 -0.325 0.000 2.498 364 S HA 0.290 4.778 4.470 0.031 0.000 0.317 364 S C -0.825 173.514 174.600 -0.434 0.000 1.090 364 S CA -0.678 57.057 58.200 -0.775 0.000 1.089 364 S CB 1.816 64.256 63.200 -1.268 0.000 0.997 364 S HN 0.068 nan 8.310 nan 0.000 0.470 365 S N 1.843 117.399 115.700 -0.239 0.000 2.500 365 S HA 0.512 5.001 4.470 0.031 0.000 0.301 365 S C -0.070 174.591 174.600 0.102 0.000 1.092 365 S CA -0.610 57.605 58.200 0.025 0.000 1.030 365 S CB 1.280 64.498 63.200 0.030 0.000 1.031 365 S HN 0.457 nan 8.310 nan 0.000 0.483 366 S N 3.306 119.123 115.700 0.196 0.000 2.506 366 S HA 0.161 4.649 4.470 0.031 0.000 0.245 366 S C 1.242 175.866 174.600 0.039 0.000 1.088 366 S CA -0.448 57.854 58.200 0.170 0.000 1.099 366 S CB 0.104 63.472 63.200 0.280 0.000 0.805 366 S HN 0.864 nan 8.310 nan 0.000 0.461 367 E N 1.409 121.585 120.200 -0.040 0.000 2.070 367 E HA -0.222 4.146 4.350 0.031 0.000 0.197 367 E C 1.085 177.454 176.600 -0.385 0.000 1.004 367 E CA 1.580 57.842 56.400 -0.231 0.000 0.805 367 E CB 0.102 29.614 29.700 -0.314 0.000 0.744 367 E HN 0.586 nan 8.360 nan 0.000 0.451 368 H N -0.596 118.497 119.070 0.038 0.000 2.607 368 H HA 0.377 4.951 4.556 0.030 0.000 0.293 368 H C 0.356 175.698 175.328 0.025 0.000 1.262 368 H CA 0.523 56.586 56.048 0.025 0.000 1.854 368 H CB -0.806 28.968 29.762 0.020 0.000 1.508 368 H HN 0.180 nan 8.280 nan 0.000 0.613 369 A N 1.785 124.695 122.820 0.150 0.000 2.351 369 A HA 0.270 4.608 4.320 0.031 0.000 0.257 369 A C -0.027 177.590 177.584 0.054 0.000 1.087 369 A CA -0.385 51.696 52.037 0.073 0.000 0.798 369 A CB -0.056 18.971 19.000 0.046 0.000 1.033 369 A HN 0.308 nan 8.150 nan 0.000 0.488 370 L N 1.827 123.071 121.223 0.036 0.000 2.513 370 L HA 0.107 4.466 4.340 0.031 0.000 0.272 370 L C 0.424 177.301 176.870 0.012 0.000 1.187 370 L CA 0.706 55.578 54.840 0.053 0.000 0.895 370 L CB -0.431 41.647 42.059 0.032 0.000 1.147 370 L HN 0.752 nan 8.230 nan 0.000 0.483 371 H N 6.865 125.894 119.070 -0.070 0.000 2.722 371 H HA 0.214 4.788 4.556 0.030 0.000 0.328 371 H C -1.771 173.358 175.328 -0.332 0.000 1.067 371 H CA -1.072 54.817 56.048 -0.265 0.000 1.447 371 H CB 1.118 30.603 29.762 -0.461 0.000 1.469 371 H HN 0.562 nan 8.280 nan 0.000 0.544 372 P HA -0.227 nan 4.420 nan 0.000 0.216 372 P C 1.099 178.223 177.300 -0.293 0.000 1.150 372 P CA 1.274 64.057 63.100 -0.528 0.000 0.843 372 P CB -0.034 31.027 31.700 -1.066 0.000 0.787 373 F N -0.537 119.154 119.950 -0.431 0.000 2.102 373 F HA -0.252 4.293 4.527 0.031 0.000 0.298 373 F C 2.395 178.188 175.800 -0.011 0.000 1.105 373 F CA 1.570 59.459 58.000 -0.185 0.000 1.239 373 F CB -0.374 38.432 39.000 -0.324 0.000 0.991 373 F HN -0.018 nan 8.300 nan 0.000 0.474 374 H N 0.129 119.164 119.070 -0.058 0.000 2.353 374 H HA -0.075 4.500 4.556 0.030 0.000 0.300 374 H C 2.371 177.667 175.328 -0.052 0.000 1.090 374 H CA 1.131 57.113 56.048 -0.111 0.000 1.327 374 H CB -1.174 28.581 29.762 -0.012 0.000 1.383 374 H HN 0.397 nan 8.280 nan 0.000 0.508 375 A N 0.461 123.374 122.820 0.155 0.000 1.902 375 A HA -0.172 4.167 4.320 0.031 0.000 0.217 375 A C 2.685 180.416 177.584 0.246 0.000 1.181 375 A CA 1.885 54.086 52.037 0.272 0.000 0.623 375 A CB -0.629 18.452 19.000 0.135 0.000 0.818 375 A HN 0.389 nan 8.150 nan 0.000 0.443 376 S N -0.241 115.506 115.700 0.079 0.000 2.368 376 S HA -0.212 4.276 4.470 0.031 0.000 0.225 376 S C 2.070 176.639 174.600 -0.051 0.000 1.030 376 S CA 1.538 59.766 58.200 0.046 0.000 0.999 376 S CB -0.353 62.878 63.200 0.052 0.000 0.844 376 S HN 0.707 nan 8.310 nan 0.000 0.459 377 Q N 0.415 120.099 119.800 -0.193 0.000 2.124 377 Q HA -0.074 4.284 4.340 0.031 0.000 0.202 377 Q C 2.280 178.211 176.000 -0.114 0.000 0.977 377 Q CA 1.235 56.925 55.803 -0.188 0.000 0.850 377 Q CB -0.395 28.185 28.738 -0.263 0.000 0.901 377 Q HN 0.368 nan 8.270 nan 0.000 0.429 378 V N 1.107 120.961 119.914 -0.099 0.000 2.287 378 V HA -0.287 3.852 4.120 0.031 0.000 0.248 378 V C 2.120 178.104 176.094 -0.185 0.000 1.053 378 V CA 1.722 63.904 62.300 -0.196 0.000 1.027 378 V CB -0.465 31.139 31.823 -0.365 0.000 0.646 378 V HN 0.347 nan 8.190 nan 0.000 0.447 379 I N 0.439 120.947 120.570 -0.103 0.000 2.226 379 I HA -0.231 3.958 4.170 0.031 0.000 0.245 379 I C 2.646 178.772 176.117 0.015 0.000 1.100 379 I CA 1.483 62.777 61.300 -0.010 0.000 1.374 379 I CB -0.618 37.431 38.000 0.081 0.000 1.057 379 I HN 0.277 nan 8.210 nan 0.000 0.413 380 A N 0.616 123.424 122.820 -0.020 0.000 1.978 380 A HA -0.216 4.122 4.320 0.031 0.000 0.220 380 A C 2.418 179.959 177.584 -0.072 0.000 1.170 380 A CA 1.768 53.787 52.037 -0.030 0.000 0.636 380 A CB -0.539 18.445 19.000 -0.027 0.000 0.810 380 A HN 0.297 nan 8.150 nan 0.000 0.448 381 K N -0.887 119.430 120.400 -0.139 0.000 2.281 381 K HA -0.115 4.224 4.320 0.031 0.000 0.203 381 K C 1.496 177.889 176.600 -0.345 0.000 1.046 381 K CA 1.456 57.584 56.287 -0.265 0.000 0.938 381 K CB -0.706 31.570 32.500 -0.372 0.000 0.737 381 K HN 0.864 nan 8.250 nan 0.000 0.458 382 H N -1.409 117.610 119.070 -0.085 0.000 2.586 382 H HA 0.253 4.828 4.556 0.032 0.000 0.273 382 H C 0.093 175.390 175.328 -0.051 0.000 0.997 382 H CA -0.034 55.971 56.048 -0.072 0.000 1.177 382 H CB 0.451 30.162 29.762 -0.085 0.000 1.471 382 H HN 0.008 nan 8.280 nan 0.000 0.538 383 V N 4.154 124.091 119.914 0.038 0.000 2.432 383 V HA 0.132 4.270 4.120 0.031 0.000 0.271 383 V C 0.143 176.232 176.094 -0.008 0.000 1.046 383 V CA -0.090 62.222 62.300 0.020 0.000 0.945 383 V CB 1.066 32.892 31.823 0.006 0.000 0.992 383 V HN 0.482 nan 8.190 nan 0.000 0.471 384 D N 4.062 124.462 120.400 -0.001 0.000 2.946 384 D HA 0.414 5.072 4.640 0.031 0.000 0.337 384 D C 0.792 177.089 176.300 -0.006 0.000 1.332 384 D CA -0.013 53.978 54.000 -0.013 0.000 0.935 384 D CB 1.133 41.922 40.800 -0.019 0.000 1.440 384 D HN 0.378 nan 8.370 nan 0.000 0.540 385 A N -0.564 122.250 122.820 -0.011 0.000 2.131 385 A HA 0.186 4.524 4.320 0.031 0.000 0.220 385 A C 1.837 179.419 177.584 -0.003 0.000 1.158 385 A CA 1.896 53.928 52.037 -0.008 0.000 0.665 385 A CB -1.370 17.622 19.000 -0.013 0.000 0.795 385 A HN 0.662 nan 8.150 nan 0.000 0.460 386 G N -1.405 107.396 108.800 0.000 0.000 3.088 386 G HA2 0.383 4.361 3.960 0.031 0.000 0.212 386 G HA3 0.383 4.361 3.960 0.031 0.000 0.212 386 G C 0.069 174.973 174.900 0.008 0.000 1.173 386 G CA 0.521 45.623 45.100 0.003 0.000 0.779 386 G HN 0.260 nan 8.290 nan 0.000 0.540 387 V N 0.011 119.933 119.914 0.012 0.000 2.789 387 V HA 0.478 4.616 4.120 0.031 0.000 0.311 387 V C -0.440 175.668 176.094 0.025 0.000 1.073 387 V CA -0.660 61.651 62.300 0.019 0.000 0.921 387 V CB 2.207 34.046 31.823 0.027 0.000 1.009 387 V HN 0.013 nan 8.190 nan 0.000 0.426 388 T N 3.490 118.057 114.554 0.021 0.000 2.771 388 T HA 0.552 4.920 4.350 0.031 0.000 0.281 388 T C -0.392 174.332 174.700 0.040 0.000 0.982 388 T CA -0.298 61.819 62.100 0.028 0.000 0.978 388 T CB 1.456 70.323 68.868 -0.003 0.000 0.930 388 T HN 0.361 nan 8.240 nan 0.000 0.447 389 V N 4.522 124.495 119.914 0.098 0.000 2.394 389 V HA 0.444 4.583 4.120 0.031 0.000 0.282 389 V C -0.055 176.044 176.094 0.009 0.000 1.031 389 V CA -0.638 61.735 62.300 0.122 0.000 0.881 389 V CB 1.577 33.574 31.823 0.291 0.000 0.982 389 V HN 0.669 nan 8.190 nan 0.000 0.451 390 V N 4.064 123.926 119.914 -0.087 0.000 2.459 390 V HA 0.837 4.976 4.120 0.031 0.000 0.295 390 V C 0.250 176.199 176.094 -0.241 0.000 1.029 390 V CA -0.495 61.666 62.300 -0.233 0.000 0.874 390 V CB 1.727 33.426 31.823 -0.205 0.000 0.985 390 V HN 0.977 nan 8.190 nan 0.000 0.438 391 A N 3.153 125.734 122.820 -0.399 0.000 2.343 391 A HA 0.820 5.158 4.320 0.031 0.000 0.316 391 A C -0.802 176.501 177.584 -0.468 0.000 1.104 391 A CA -0.365 51.487 52.037 -0.308 0.000 0.768 391 A CB 1.536 20.407 19.000 -0.214 0.000 1.213 391 A HN 0.767 nan 8.150 nan 0.000 0.456 392 D N 0.571 120.808 120.400 -0.272 0.000 2.801 392 D HA 0.696 5.355 4.640 0.031 0.000 0.277 392 D C 0.674 177.045 176.300 0.119 0.000 1.125 392 D CA 0.905 54.758 54.000 -0.245 0.000 1.102 392 D CB 1.600 42.289 40.800 -0.185 0.000 1.400 392 D HN 1.558 nan 8.370 nan 0.000 0.601 393 G N -0.863 108.088 108.800 0.252 0.000 2.698 393 G HA2 0.254 4.232 3.960 0.031 0.000 0.233 393 G HA3 0.254 4.232 3.960 0.031 0.000 0.233 393 G C 0.154 175.319 174.900 0.440 0.000 1.352 393 G CA 0.766 46.035 45.100 0.281 0.000 0.879 393 G HN 1.043 nan 8.290 nan 0.000 0.567 394 A N -2.270 120.705 122.820 0.258 0.000 1.807 394 A HA 0.669 5.008 4.320 0.031 0.000 0.178 394 A C 2.366 179.833 177.584 -0.195 0.000 2.008 394 A CA 0.982 53.083 52.037 0.105 0.000 1.178 394 A CB -0.491 18.562 19.000 0.088 0.000 0.966 394 A HN 1.190 nan 8.150 nan 0.000 0.653 395 L N 0.795 121.958 121.223 -0.100 0.000 2.043 395 L HA -0.212 4.146 4.340 0.031 0.000 0.212 395 L C 2.680 179.581 176.870 0.053 0.000 1.075 395 L CA 1.973 56.756 54.840 -0.095 0.000 0.752 395 L CB -0.996 41.052 42.059 -0.018 0.000 0.891 395 L HN 0.486 nan 8.230 nan 0.000 0.432 396 T N -0.420 114.202 114.554 0.114 0.000 2.624 396 T HA -0.279 4.089 4.350 0.031 0.000 0.268 396 T C 1.668 176.490 174.700 0.204 0.000 1.041 396 T CA 2.328 64.536 62.100 0.181 0.000 1.159 396 T CB -0.520 68.431 68.868 0.138 0.000 0.863 396 T HN 0.592 nan 8.240 nan 0.000 0.434 397 Y N 1.130 121.497 120.300 0.112 0.000 2.395 397 Y HA 0.236 4.804 4.550 0.031 0.000 0.293 397 Y C 1.951 177.913 175.900 0.103 0.000 1.123 397 Y CA 0.328 58.477 58.100 0.082 0.000 1.227 397 Y CB -0.906 37.538 38.460 -0.027 0.000 1.012 397 Y HN 0.114 nan 8.280 nan 0.000 0.552 398 L N -1.034 119.909 121.223 -0.468 0.000 2.046 398 L HA -0.184 4.174 4.340 0.031 0.000 0.208 398 L C 2.256 179.068 176.870 -0.096 0.000 1.077 398 L CA 1.771 56.403 54.840 -0.348 0.000 0.747 398 L CB -0.691 41.059 42.059 -0.515 0.000 0.896 398 L HN 0.346 nan 8.230 nan 0.000 0.432 399 W N -0.420 120.897 121.300 0.029 0.000 2.379 399 W HA -0.208 4.470 4.660 0.030 0.000 0.307 399 W C 2.413 179.042 176.519 0.183 0.000 1.200 399 W CA 0.112 57.538 57.345 0.134 0.000 1.297 399 W CB -0.285 29.251 29.460 0.126 0.000 1.140 399 W HN 0.050 nan 8.180 nan 0.000 0.507 400 L N 1.102 122.561 121.223 0.394 0.000 2.079 400 L HA -0.242 4.116 4.340 0.031 0.000 0.210 400 L C 2.636 179.661 176.870 0.258 0.000 1.081 400 L CA 2.484 57.502 54.840 0.297 0.000 0.752 400 L CB -1.180 41.046 42.059 0.278 0.000 0.896 400 L HN 0.016 nan 8.230 nan 0.000 0.433 401 S N -1.522 114.343 115.700 0.275 0.000 2.419 401 S HA -0.170 4.318 4.470 0.031 0.000 0.233 401 S C 1.709 176.444 174.600 0.225 0.000 1.016 401 S CA 1.065 59.414 58.200 0.248 0.000 0.974 401 S CB -0.628 62.786 63.200 0.357 0.000 0.786 401 S HN 0.565 nan 8.310 nan 0.000 0.492 402 E N 1.235 121.613 120.200 0.297 0.000 2.338 402 E HA -0.025 4.344 4.350 0.031 0.000 0.197 402 E C 2.127 178.981 176.600 0.423 0.000 1.007 402 E CA 1.222 57.840 56.400 0.364 0.000 0.849 402 E CB -0.209 29.774 29.700 0.472 0.000 0.774 402 E HN 0.779 nan 8.360 nan 0.000 0.506 403 V N -3.019 117.083 119.914 0.313 0.000 3.660 403 V HA 0.102 4.240 4.120 0.031 0.000 0.276 403 V C 1.747 177.897 176.094 0.092 0.000 1.317 403 V CA 0.138 62.589 62.300 0.251 0.000 1.097 403 V CB 0.059 31.958 31.823 0.126 0.000 0.863 403 V HN -0.019 nan 8.190 nan 0.000 0.438 404 M N 0.633 120.245 119.600 0.021 0.000 2.447 404 M HA 0.123 4.622 4.480 0.031 0.000 0.264 404 M C 2.117 178.343 176.300 -0.124 0.000 1.095 404 M CA 1.042 56.253 55.300 -0.148 0.000 1.125 404 M CB -0.840 31.511 32.600 -0.415 0.000 1.389 404 M HN 0.491 nan 8.290 nan 0.000 0.459 405 S N 0.668 116.347 115.700 -0.035 0.000 2.414 405 S HA -0.010 4.479 4.470 0.031 0.000 0.227 405 S C 1.774 176.329 174.600 -0.075 0.000 1.022 405 S CA 0.643 58.816 58.200 -0.045 0.000 0.958 405 S CB -0.013 63.193 63.200 0.010 0.000 0.797 405 S HN 0.514 nan 8.310 nan 0.000 0.493 406 R N 1.408 121.864 120.500 -0.075 0.000 2.240 406 R HA 0.111 4.469 4.340 0.031 0.000 0.203 406 R C 0.937 177.172 176.300 -0.109 0.000 1.011 406 R CA 0.374 56.401 56.100 -0.121 0.000 1.007 406 R CB -0.776 29.405 30.300 -0.200 0.000 0.911 406 R HN 0.420 nan 8.270 nan 0.000 0.468 407 V N -0.787 119.071 119.914 -0.093 0.000 3.211 407 V HA 0.423 4.561 4.120 0.031 0.000 0.319 407 V C -0.334 175.710 176.094 -0.083 0.000 1.096 407 V CA -1.206 61.044 62.300 -0.084 0.000 1.029 407 V CB 1.637 33.417 31.823 -0.072 0.000 1.137 407 V HN -0.010 nan 8.190 nan 0.000 0.453 408 K N 2.278 122.638 120.400 -0.067 0.000 2.679 408 K HA 0.421 4.759 4.320 0.031 0.000 0.188 408 K C -2.815 173.764 176.600 -0.035 0.000 1.055 408 K CA -1.461 54.792 56.287 -0.056 0.000 1.006 408 K CB 1.153 33.620 32.500 -0.054 0.000 1.317 408 K HN 0.589 nan 8.250 nan 0.000 0.584 409 P HA -0.015 nan 4.420 nan 0.000 0.271 409 P C 0.702 178.012 177.300 0.017 0.000 1.216 409 P CA 0.082 63.185 63.100 0.005 0.000 0.776 409 P CB 1.359 33.078 31.700 0.032 0.000 0.881 410 G N 2.203 111.013 108.800 0.018 0.000 2.432 410 G HA2 0.072 4.051 3.960 0.031 0.000 0.219 410 G HA3 0.072 4.051 3.960 0.031 0.000 0.219 410 G C 0.689 175.603 174.900 0.023 0.000 1.135 410 G CA 0.682 45.790 45.100 0.012 0.000 0.767 410 G HN 0.802 nan 8.290 nan 0.000 0.550 411 G N -1.543 107.286 108.800 0.049 0.000 2.706 411 G HA2 0.496 4.474 3.960 0.031 0.000 0.297 411 G HA3 0.496 4.474 3.960 0.031 0.000 0.297 411 G C -2.108 172.888 174.900 0.161 0.000 1.403 411 G CA -0.716 44.422 45.100 0.063 0.000 0.954 411 G HN 0.162 nan 8.290 nan 0.000 0.500 412 F N 2.222 122.154 119.950 -0.031 0.000 2.617 412 F HA 0.634 5.180 4.527 0.031 0.000 0.325 412 F C -1.310 174.459 175.800 -0.052 0.000 1.179 412 F CA -1.280 56.700 58.000 -0.033 0.000 0.965 412 F CB 1.560 40.560 39.000 -0.001 0.000 1.232 412 F HN 0.309 nan 8.300 nan 0.000 0.461 413 L N 7.371 128.229 121.223 -0.607 0.000 2.353 413 L HA 0.450 4.808 4.340 0.031 0.000 0.270 413 L C -0.513 175.885 176.870 -0.787 0.000 1.003 413 L CA -0.552 53.963 54.840 -0.541 0.000 0.862 413 L CB 1.213 43.084 42.059 -0.314 0.000 1.221 413 L HN 0.668 nan 8.230 nan 0.000 0.430 414 C N 1.203 119.995 119.300 -0.846 0.000 2.531 414 C HA 0.483 4.961 4.460 0.031 0.000 0.369 414 C C 0.623 175.233 174.990 -0.634 0.000 1.258 414 C CA -0.440 58.033 59.018 -0.908 0.000 1.876 414 C CB 1.242 28.289 27.740 -1.154 0.000 2.256 414 C HN 0.764 nan 8.230 nan 0.000 0.510 415 H N 0.154 118.843 119.070 -0.634 0.000 3.038 415 H HA 0.335 4.910 4.556 0.031 0.000 0.338 415 H C 0.842 176.044 175.328 -0.209 0.000 1.041 415 H CA 1.330 57.127 56.048 -0.419 0.000 1.394 415 H CB 0.546 30.008 29.762 -0.501 0.000 1.357 415 H HN 0.831 nan 8.280 nan 0.000 0.600 416 G N 1.056 109.869 108.800 0.022 0.000 2.849 416 G HA2 -0.012 3.966 3.960 0.031 0.000 0.174 416 G HA3 -0.012 3.966 3.960 0.031 0.000 0.174 416 G C -0.082 174.905 174.900 0.144 0.000 1.370 416 G CA -0.437 44.670 45.100 0.011 0.000 1.040 416 G HN 0.583 nan 8.290 nan 0.000 0.582 417 Y N -0.555 119.762 120.300 0.028 0.000 2.274 417 Y HA -0.029 4.540 4.550 0.031 0.000 0.290 417 Y C 2.658 178.569 175.900 0.019 0.000 1.145 417 Y CA 0.305 58.422 58.100 0.028 0.000 1.203 417 Y CB -0.820 37.651 38.460 0.018 0.000 0.984 417 Y HN 0.202 nan 8.280 nan 0.000 0.533 418 L N 0.091 121.414 121.223 0.168 0.000 2.141 418 L HA 0.071 4.429 4.340 0.031 0.000 0.209 418 L C 1.760 178.626 176.870 -0.007 0.000 1.094 418 L CA 1.616 56.506 54.840 0.083 0.000 0.763 418 L CB -0.906 41.195 42.059 0.069 0.000 0.908 418 L HN 0.358 nan 8.230 nan 0.000 0.437 419 G N -0.052 108.714 108.800 -0.058 0.000 2.356 419 G HA2 -0.318 3.660 3.960 0.031 0.000 0.296 419 G HA3 -0.318 3.660 3.960 0.031 0.000 0.296 419 G C 0.390 175.047 174.900 -0.406 0.000 1.022 419 G CA 0.653 45.581 45.100 -0.286 0.000 0.961 419 G HN 0.546 nan 8.290 nan 0.000 0.510 420 S N 0.691 116.205 115.700 -0.309 0.000 2.399 420 S HA 0.561 5.049 4.470 0.031 0.000 0.301 420 S C 1.255 175.682 174.600 -0.289 0.000 1.093 420 S CA -0.795 57.257 58.200 -0.248 0.000 1.077 420 S CB -0.061 63.054 63.200 -0.142 0.000 0.980 420 S HN 0.318 nan 8.310 nan 0.000 0.494 421 M N 3.801 123.221 119.600 -0.301 0.000 2.261 421 M HA 0.148 4.646 4.480 0.031 0.000 0.350 421 M C 1.635 177.633 176.300 -0.502 0.000 1.343 421 M CA 1.311 56.506 55.300 -0.174 0.000 1.003 421 M CB -0.562 32.066 32.600 0.046 0.000 1.848 421 M HN 1.012 nan 8.290 nan 0.000 0.456 422 G N 1.831 110.501 108.800 -0.216 0.000 2.213 422 G HA2 -0.238 3.740 3.960 0.031 0.000 0.226 422 G HA3 -0.238 3.740 3.960 0.031 0.000 0.226 422 G C 0.504 175.262 174.900 -0.236 0.000 0.992 422 G CA 0.395 45.339 45.100 -0.260 0.000 0.632 422 G HN 0.798 nan 8.290 nan 0.000 0.511 423 V N -0.174 119.534 119.914 -0.342 0.000 2.913 423 V HA 0.334 4.473 4.120 0.031 0.000 0.260 423 V C 2.487 178.323 176.094 -0.431 0.000 1.098 423 V CA 2.205 64.106 62.300 -0.665 0.000 1.121 423 V CB -0.839 30.493 31.823 -0.819 0.000 0.714 423 V HN 0.987 nan 8.190 nan 0.000 0.487 424 G N -0.691 107.951 108.800 -0.263 0.000 2.432 424 G HA2 -0.220 3.758 3.960 0.031 0.000 0.219 424 G HA3 -0.220 3.758 3.960 0.031 0.000 0.219 424 G C 1.296 176.128 174.900 -0.113 0.000 1.135 424 G CA 0.979 45.937 45.100 -0.236 0.000 0.767 424 G HN 0.496 nan 8.290 nan 0.000 0.550 425 F N 2.241 122.080 119.950 -0.184 0.000 2.060 425 F HA 0.086 4.630 4.527 0.028 0.000 0.295 425 F C 2.688 178.401 175.800 -0.145 0.000 1.120 425 F CA 1.177 59.076 58.000 -0.168 0.000 1.205 425 F CB -0.800 38.102 39.000 -0.163 0.000 0.986 425 F HN 0.132 nan 8.300 nan 0.000 0.470 426 G N -1.127 107.768 108.800 0.158 0.000 2.440 426 G HA2 -0.263 3.716 3.960 0.031 0.000 0.218 426 G HA3 -0.263 3.716 3.960 0.031 0.000 0.218 426 G C 1.683 176.587 174.900 0.006 0.000 1.154 426 G CA 1.511 46.652 45.100 0.068 0.000 0.767 426 G HN 0.378 nan 8.290 nan 0.000 0.552 427 T N 1.711 116.248 114.554 -0.028 0.000 2.665 427 T HA -0.096 4.272 4.350 0.031 0.000 0.268 427 T C 2.795 177.437 174.700 -0.097 0.000 1.035 427 T CA 1.836 63.879 62.100 -0.094 0.000 1.151 427 T CB -0.447 68.324 68.868 -0.162 0.000 0.862 427 T HN 0.396 nan 8.240 nan 0.000 0.438 428 A N 0.781 123.554 122.820 -0.078 0.000 1.930 428 A HA 0.067 4.405 4.320 0.031 0.000 0.217 428 A C 2.293 179.868 177.584 -0.015 0.000 1.175 428 A CA 1.150 53.145 52.037 -0.070 0.000 0.627 428 A CB -0.794 18.140 19.000 -0.111 0.000 0.815 428 A HN 0.499 nan 8.150 nan 0.000 0.443 429 L N -0.531 120.712 121.223 0.034 0.000 2.017 429 L HA -0.084 4.275 4.340 0.031 0.000 0.208 429 L C 2.497 179.394 176.870 0.045 0.000 1.073 429 L CA 1.755 56.635 54.840 0.067 0.000 0.745 429 L CB -0.578 41.538 42.059 0.094 0.000 0.894 429 L HN 0.382 nan 8.230 nan 0.000 0.432 430 G N -1.126 107.617 108.800 -0.096 0.000 2.402 430 G HA2 -0.260 3.719 3.960 0.031 0.000 0.216 430 G HA3 -0.260 3.719 3.960 0.031 0.000 0.216 430 G C 1.633 176.540 174.900 0.011 0.000 1.162 430 G CA 0.670 45.635 45.100 -0.225 0.000 0.777 430 G HN 0.581 nan 8.290 nan 0.000 0.539 431 A N 0.332 123.131 122.820 -0.035 0.000 1.908 431 A HA -0.162 4.176 4.320 0.031 0.000 0.218 431 A C 2.316 179.905 177.584 0.009 0.000 1.181 431 A CA 2.366 54.387 52.037 -0.026 0.000 0.627 431 A CB -0.475 18.490 19.000 -0.059 0.000 0.818 431 A HN 0.417 nan 8.150 nan 0.000 0.445 432 Q N -0.133 119.685 119.800 0.030 0.000 2.124 432 Q HA -0.086 4.272 4.340 0.031 0.000 0.202 432 Q C 1.842 177.882 176.000 0.066 0.000 0.977 432 Q CA 1.940 57.768 55.803 0.043 0.000 0.850 432 Q CB -0.591 28.178 28.738 0.051 0.000 0.901 432 Q HN 0.371 nan 8.270 nan 0.000 0.429 433 V N 0.619 120.607 119.914 0.124 0.000 2.261 433 V HA -0.285 3.853 4.120 0.031 0.000 0.246 433 V C 2.298 178.436 176.094 0.074 0.000 1.047 433 V CA 1.882 64.260 62.300 0.129 0.000 1.015 433 V CB -1.413 30.569 31.823 0.265 0.000 0.642 433 V HN 0.515 nan 8.190 nan 0.000 0.446 434 A N -0.164 122.712 122.820 0.095 0.000 1.908 434 A HA -0.289 4.049 4.320 0.031 0.000 0.218 434 A C 1.943 179.477 177.584 -0.084 0.000 1.181 434 A CA 2.207 54.156 52.037 -0.147 0.000 0.627 434 A CB -0.693 18.102 19.000 -0.341 0.000 0.818 434 A HN 0.551 nan 8.150 nan 0.000 0.445 435 D N -0.236 120.142 120.400 -0.036 0.000 2.310 435 D HA -0.040 4.618 4.640 0.031 0.000 0.212 435 D C 1.833 178.132 176.300 -0.002 0.000 0.965 435 D CA 0.495 54.482 54.000 -0.022 0.000 0.879 435 D CB -0.232 40.562 40.800 -0.010 0.000 0.921 435 D HN 0.494 nan 8.370 nan 0.000 0.510 436 L N 0.517 121.747 121.223 0.011 0.000 2.042 436 L HA -0.171 4.187 4.340 0.031 0.000 0.210 436 L C 2.421 179.305 176.870 0.024 0.000 1.076 436 L CA 1.252 56.107 54.840 0.025 0.000 0.749 436 L CB -0.317 41.765 42.059 0.040 0.000 0.893 436 L HN 0.038 nan 8.230 nan 0.000 0.432 437 E N 0.173 120.386 120.200 0.021 0.000 2.152 437 E HA -0.181 4.187 4.350 0.031 0.000 0.192 437 E C 2.164 178.766 176.600 0.004 0.000 0.983 437 E CA 0.924 57.338 56.400 0.023 0.000 0.818 437 E CB 0.070 29.789 29.700 0.031 0.000 0.758 437 E HN 0.457 nan 8.360 nan 0.000 0.467 438 A N 0.172 122.985 122.820 -0.011 0.000 2.066 438 A HA 0.109 4.447 4.320 0.031 0.000 0.218 438 A C 1.805 179.386 177.584 -0.005 0.000 1.157 438 A CA 1.159 53.187 52.037 -0.015 0.000 0.670 438 A CB -0.492 18.491 19.000 -0.028 0.000 0.804 438 A HN 0.463 nan 8.150 nan 0.000 0.453 439 G N -1.029 107.772 108.800 0.002 0.000 2.137 439 G HA2 -0.237 3.741 3.960 0.031 0.000 0.237 439 G HA3 -0.237 3.741 3.960 0.031 0.000 0.237 439 G C 0.161 175.064 174.900 0.004 0.000 1.002 439 G CA 0.291 45.395 45.100 0.005 0.000 0.702 439 G HN 0.632 nan 8.290 nan 0.000 0.515 440 R N -0.840 119.661 120.500 0.002 0.000 2.598 440 R HA 0.657 5.016 4.340 0.031 0.000 0.279 440 R C 0.182 176.487 176.300 0.007 0.000 0.984 440 R CA -1.022 55.080 56.100 0.002 0.000 0.999 440 R CB 1.018 31.316 30.300 -0.003 0.000 1.114 440 R HN 0.120 nan 8.270 nan 0.000 0.493 441 R N 0.560 121.064 120.500 0.008 0.000 2.312 441 R HA 0.206 4.564 4.340 0.031 0.000 0.311 441 R C -1.004 175.300 176.300 0.007 0.000 1.004 441 R CA -0.001 56.105 56.100 0.009 0.000 0.902 441 R CB 1.178 31.481 30.300 0.004 0.000 1.073 441 R HN 0.522 nan 8.270 nan 0.000 0.457 442 T N 5.617 120.175 114.554 0.007 0.000 2.799 442 T HA 0.483 4.851 4.350 0.031 0.000 0.286 442 T C 0.071 174.766 174.700 -0.007 0.000 0.973 442 T CA -0.328 61.770 62.100 -0.002 0.000 1.035 442 T CB 0.492 69.356 68.868 -0.007 0.000 0.932 442 T HN 0.428 nan 8.240 nan 0.000 0.469 443 I N 3.772 124.335 120.570 -0.011 0.000 2.410 443 I HA 0.341 4.530 4.170 0.031 0.000 0.286 443 I C -0.749 175.346 176.117 -0.036 0.000 1.009 443 I CA -1.016 60.276 61.300 -0.014 0.000 1.111 443 I CB 1.696 39.700 38.000 0.006 0.000 1.262 443 I HN 0.350 nan 8.210 nan 0.000 0.443 444 L N 8.666 129.842 121.223 -0.079 0.000 2.292 444 L HA 0.532 4.890 4.340 0.031 0.000 0.284 444 L C -0.675 176.143 176.870 -0.086 0.000 1.065 444 L CA -0.112 54.650 54.840 -0.129 0.000 0.806 444 L CB 1.443 43.354 42.059 -0.247 0.000 1.175 444 L HN 0.330 nan 8.230 nan 0.000 0.431 445 V N 5.158 125.036 119.914 -0.060 0.000 2.326 445 V HA 0.551 4.689 4.120 0.031 0.000 0.281 445 V C 0.170 176.242 176.094 -0.036 0.000 1.015 445 V CA -0.296 61.999 62.300 -0.008 0.000 0.823 445 V CB 0.928 32.792 31.823 0.068 0.000 1.009 445 V HN 0.937 nan 8.190 nan 0.000 0.436 446 T N 3.212 117.732 114.554 -0.057 0.000 2.888 446 T HA 0.775 5.144 4.350 0.031 0.000 0.288 446 T C 0.199 174.877 174.700 -0.037 0.000 1.063 446 T CA 0.100 62.166 62.100 -0.056 0.000 1.010 446 T CB 1.944 70.741 68.868 -0.118 0.000 1.214 446 T HN 0.818 nan 8.240 nan 0.000 0.533 447 G N 0.435 109.228 108.800 -0.013 0.000 2.477 447 G HA2 0.362 4.341 3.960 0.031 0.000 0.304 447 G HA3 0.362 4.341 3.960 0.031 0.000 0.304 447 G C 0.868 175.670 174.900 -0.163 0.000 1.175 447 G CA -0.168 44.907 45.100 -0.042 0.000 0.907 447 G HN 0.817 nan 8.290 nan 0.000 0.509 448 D N 0.385 120.642 120.400 -0.238 0.000 2.149 448 D HA -0.126 4.532 4.640 0.031 0.000 0.198 448 D C 2.078 178.082 176.300 -0.493 0.000 0.990 448 D CA 1.450 55.167 54.000 -0.472 0.000 0.839 448 D CB -0.718 39.915 40.800 -0.278 0.000 0.948 448 D HN 0.465 nan 8.370 nan 0.000 0.460 449 G N 0.570 109.089 108.800 -0.467 0.000 2.434 449 G HA2 -0.235 3.743 3.960 0.031 0.000 0.214 449 G HA3 -0.235 3.743 3.960 0.031 0.000 0.214 449 G C 1.905 176.653 174.900 -0.253 0.000 1.202 449 G CA 1.204 45.749 45.100 -0.925 0.000 0.788 449 G HN 0.348 nan 8.290 nan 0.000 0.539 450 S N -0.249 115.528 115.700 0.130 0.000 2.383 450 S HA -0.141 4.347 4.470 0.031 0.000 0.229 450 S C 2.326 177.095 174.600 0.282 0.000 1.030 450 S CA 1.122 59.541 58.200 0.365 0.000 1.002 450 S CB -0.432 62.908 63.200 0.234 0.000 0.829 450 S HN 0.166 nan 8.310 nan 0.000 0.467 451 V N 1.911 121.862 119.914 0.062 0.000 2.594 451 V HA -0.116 4.023 4.120 0.031 0.000 0.253 451 V C 2.148 178.373 176.094 0.218 0.000 1.069 451 V CA 1.884 64.243 62.300 0.098 0.000 1.082 451 V CB -0.995 30.780 31.823 -0.080 0.000 0.680 451 V HN 0.567 nan 8.190 nan 0.000 0.469 452 G N -2.001 106.887 108.800 0.145 0.000 2.443 452 G HA2 -0.247 3.731 3.960 0.031 0.000 0.219 452 G HA3 -0.247 3.731 3.960 0.031 0.000 0.219 452 G C 1.300 176.303 174.900 0.171 0.000 1.131 452 G CA 0.796 45.998 45.100 0.169 0.000 0.775 452 G HN 0.578 nan 8.290 nan 0.000 0.547 453 Y N 1.277 121.674 120.300 0.163 0.000 2.207 453 Y HA -0.071 4.497 4.550 0.029 0.000 0.287 453 Y C 2.213 178.141 175.900 0.046 0.000 1.156 453 Y CA 1.692 59.864 58.100 0.120 0.000 1.182 453 Y CB 0.354 38.878 38.460 0.107 0.000 0.979 453 Y HN 0.152 nan 8.280 nan 0.000 0.521 454 S N -1.087 114.729 115.700 0.194 0.000 2.941 454 S HA 0.166 4.655 4.470 0.031 0.000 0.251 454 S C 1.180 175.616 174.600 -0.273 0.000 1.029 454 S CA -0.327 57.835 58.200 -0.063 0.000 1.062 454 S CB -0.025 63.099 63.200 -0.128 0.000 0.977 454 S HN 0.342 nan 8.310 nan 0.000 0.552 455 I N 1.979 122.568 120.570 0.032 0.000 2.567 455 I HA -0.101 4.087 4.170 0.031 0.000 0.257 455 I C 2.175 178.306 176.117 0.023 0.000 1.184 455 I CA 1.008 62.419 61.300 0.185 0.000 1.451 455 I CB -0.100 38.148 38.000 0.414 0.000 1.089 455 I HN 0.495 nan 8.210 nan 0.000 0.441 456 G N 0.057 108.786 108.800 -0.120 0.000 2.498 456 G HA2 -0.207 3.772 3.960 0.031 0.000 0.219 456 G HA3 -0.207 3.772 3.960 0.031 0.000 0.219 456 G C 1.336 175.844 174.900 -0.654 0.000 1.119 456 G CA 0.261 45.127 45.100 -0.390 0.000 0.766 456 G HN 0.352 nan 8.290 nan 0.000 0.552 457 E N 0.295 120.047 120.200 -0.747 0.000 2.409 457 E HA -0.031 4.337 4.350 0.031 0.000 0.198 457 E C 1.812 178.059 176.600 -0.588 0.000 1.024 457 E CA 0.067 55.985 56.400 -0.803 0.000 0.861 457 E CB -0.346 28.664 29.700 -1.150 0.000 0.788 457 E HN 0.617 nan 8.360 nan 0.000 0.521 458 F N 1.330 121.065 119.950 -0.358 0.000 2.161 458 F HA -0.231 4.311 4.527 0.026 0.000 0.300 458 F C 2.262 177.958 175.800 -0.172 0.000 1.089 458 F CA 1.340 59.319 58.000 -0.035 0.000 1.282 458 F CB -0.131 38.985 39.000 0.193 0.000 1.010 458 F HN 0.059 nan 8.300 nan 0.000 0.485 459 D N -0.261 119.884 120.400 -0.425 0.000 2.104 459 D HA -0.179 4.479 4.640 0.031 0.000 0.194 459 D C 2.044 178.297 176.300 -0.077 0.000 0.994 459 D CA 2.132 55.977 54.000 -0.259 0.000 0.830 459 D CB -0.252 40.282 40.800 -0.443 0.000 0.959 459 D HN 0.106 nan 8.370 nan 0.000 0.452 460 T N 0.175 114.651 114.554 -0.130 0.000 2.746 460 T HA -0.095 4.273 4.350 0.031 0.000 0.267 460 T C 2.056 176.772 174.700 0.025 0.000 1.039 460 T CA 0.856 62.929 62.100 -0.046 0.000 1.142 460 T CB -0.311 68.515 68.868 -0.071 0.000 0.866 460 T HN 0.174 nan 8.240 nan 0.000 0.444 461 L N 0.688 121.944 121.223 0.055 0.000 2.083 461 L HA -0.094 4.264 4.340 0.031 0.000 0.209 461 L C 2.634 179.582 176.870 0.130 0.000 1.083 461 L CA 0.966 55.880 54.840 0.124 0.000 0.752 461 L CB -0.719 41.465 42.059 0.209 0.000 0.899 461 L HN 0.178 nan 8.230 nan 0.000 0.433 462 V N -0.375 119.622 119.914 0.138 0.000 2.323 462 V HA -0.203 3.935 4.120 0.031 0.000 0.244 462 V C 2.559 178.709 176.094 0.095 0.000 1.041 462 V CA 1.482 63.860 62.300 0.130 0.000 1.025 462 V CB -0.565 31.352 31.823 0.157 0.000 0.656 462 V HN 0.381 nan 8.190 nan 0.000 0.451 463 R N 0.314 120.861 120.500 0.078 0.000 2.105 463 R HA -0.131 4.227 4.340 0.031 0.000 0.239 463 R C 1.917 178.253 176.300 0.058 0.000 1.135 463 R CA 1.081 57.218 56.100 0.062 0.000 0.967 463 R CB -0.184 30.145 30.300 0.049 0.000 0.861 463 R HN 0.344 nan 8.270 nan 0.000 0.442 464 K N 0.377 120.814 120.400 0.062 0.000 2.374 464 K HA 0.068 4.406 4.320 0.031 0.000 0.196 464 K C 0.063 176.703 176.600 0.067 0.000 1.023 464 K CA 0.136 56.459 56.287 0.059 0.000 1.103 464 K CB 0.499 33.035 32.500 0.059 0.000 0.848 464 K HN 0.200 nan 8.250 nan 0.000 0.528 465 Q N 0.700 120.547 119.800 0.077 0.000 2.451 465 Q HA -0.181 4.177 4.340 0.031 0.000 0.305 465 Q C -0.881 175.170 176.000 0.085 0.000 1.345 465 Q CA 0.319 56.171 55.803 0.082 0.000 0.854 465 Q CB -1.858 26.922 28.738 0.070 0.000 1.162 465 Q HN 0.266 nan 8.270 nan 0.000 0.440 466 L N 1.709 122.989 121.223 0.095 0.000 2.257 466 L HA 0.275 4.633 4.340 0.031 0.000 0.290 466 L C -1.295 175.639 176.870 0.107 0.000 1.044 466 L CA -1.803 53.094 54.840 0.096 0.000 0.810 466 L CB 0.643 42.763 42.059 0.100 0.000 1.193 466 L HN -0.031 nan 8.230 nan 0.000 0.425 467 P HA 0.005 nan 4.420 nan 0.000 0.243 467 P C -0.033 177.324 177.300 0.094 0.000 1.668 467 P CA -0.359 62.802 63.100 0.101 0.000 0.898 467 P CB 0.068 31.819 31.700 0.086 0.000 1.637 468 L N 0.799 122.079 121.223 0.096 0.000 2.540 468 L HA 0.064 4.422 4.340 0.031 0.000 0.276 468 L C 0.037 176.958 176.870 0.085 0.000 1.212 468 L CA 0.384 55.265 54.840 0.068 0.000 0.893 468 L CB -0.233 41.859 42.059 0.054 0.000 1.138 468 L HN -0.031 nan 8.230 nan 0.000 0.491 469 I N 5.982 126.580 120.570 0.047 0.000 2.312 469 I HA 0.228 4.417 4.170 0.031 0.000 0.290 469 I C -0.583 175.544 176.117 0.016 0.000 1.008 469 I CA -0.628 60.708 61.300 0.060 0.000 1.226 469 I CB 1.319 39.334 38.000 0.027 0.000 1.371 469 I HN 0.271 nan 8.210 nan 0.000 0.468 470 V N 8.138 128.087 119.914 0.058 0.000 2.318 470 V HA 0.350 4.488 4.120 0.031 0.000 0.271 470 V C 0.233 176.350 176.094 0.038 0.000 1.030 470 V CA -0.355 61.920 62.300 -0.042 0.000 0.844 470 V CB 1.008 32.769 31.823 -0.104 0.000 1.015 470 V HN 0.477 nan 8.190 nan 0.000 0.460 471 I N 6.331 126.900 120.570 -0.001 0.000 2.304 471 I HA 0.408 4.597 4.170 0.031 0.000 0.291 471 I C -0.209 175.885 176.117 -0.038 0.000 1.018 471 I CA -0.187 61.126 61.300 0.022 0.000 1.260 471 I CB 1.198 39.255 38.000 0.096 0.000 1.390 471 I HN 0.433 nan 8.210 nan 0.000 0.475 472 I N 6.961 127.500 120.570 -0.051 0.000 2.307 472 I HA 0.222 4.411 4.170 0.031 0.000 0.289 472 I C 0.025 176.074 176.117 -0.113 0.000 1.021 472 I CA -0.493 60.751 61.300 -0.093 0.000 1.224 472 I CB 0.838 38.775 38.000 -0.106 0.000 1.376 472 I HN 0.410 nan 8.210 nan 0.000 0.470 473 M N 5.673 125.213 119.600 -0.099 0.000 2.341 473 M HA 0.109 4.608 4.480 0.031 0.000 0.336 473 M C -0.093 176.162 176.300 -0.075 0.000 1.489 473 M CA 0.190 55.434 55.300 -0.093 0.000 1.278 473 M CB -0.670 31.906 32.600 -0.040 0.000 1.657 473 M HN 0.400 nan 8.290 nan 0.000 0.455 474 N N 3.882 122.545 118.700 -0.062 0.000 2.527 474 N HA 0.156 4.914 4.740 0.031 0.000 0.236 474 N C -0.180 175.329 175.510 -0.002 0.000 0.999 474 N CA -0.191 52.846 53.050 -0.020 0.000 0.935 474 N CB 0.428 38.946 38.487 0.051 0.000 1.132 474 N HN 0.438 nan 8.380 nan 0.000 0.511 475 N N 2.345 121.040 118.700 -0.008 0.000 2.275 475 N HA 0.045 4.803 4.740 0.031 0.000 0.236 475 N C -0.567 174.953 175.510 0.016 0.000 1.154 475 N CA -0.181 52.873 53.050 0.007 0.000 0.866 475 N CB 0.136 38.628 38.487 0.008 0.000 1.093 475 N HN 0.361 nan 8.380 nan 0.000 0.515 476 Q N -0.453 119.357 119.800 0.017 0.000 2.475 476 Q HA -0.198 4.160 4.340 0.031 0.000 0.280 476 Q C -0.939 175.054 176.000 -0.012 0.000 1.234 476 Q CA 1.289 57.102 55.803 0.016 0.000 0.873 476 Q CB -2.554 26.203 28.738 0.031 0.000 1.256 476 Q HN 0.847 nan 8.270 nan 0.000 0.475 477 S N -2.902 112.764 115.700 -0.057 0.000 2.611 477 S HA 0.489 4.977 4.470 0.031 0.000 0.270 477 S C -1.230 173.329 174.600 -0.068 0.000 1.131 477 S CA -1.120 57.055 58.200 -0.042 0.000 0.826 477 S CB 0.525 63.762 63.200 0.062 0.000 1.095 477 S HN 0.300 nan 8.310 nan 0.000 0.461 478 W N 1.940 123.274 121.300 0.056 0.000 2.510 478 W HA 0.492 5.170 4.660 0.030 0.000 0.388 478 W C 1.470 178.004 176.519 0.025 0.000 1.092 478 W CA -0.057 57.317 57.345 0.048 0.000 1.562 478 W CB 0.307 29.800 29.460 0.056 0.000 1.603 478 W HN 1.054 nan 8.180 nan 0.000 0.396 479 G N 1.573 110.476 108.800 0.172 0.000 2.404 479 G HA2 -0.195 3.784 3.960 0.031 0.000 0.214 479 G HA3 -0.195 3.784 3.960 0.031 0.000 0.214 479 G C 1.651 176.497 174.900 -0.090 0.000 1.189 479 G CA 0.948 46.056 45.100 0.013 0.000 0.789 479 G HN 0.538 nan 8.290 nan 0.000 0.533 480 A N 0.799 123.587 122.820 -0.053 0.000 1.972 480 A HA -0.017 4.322 4.320 0.031 0.000 0.219 480 A C 2.604 180.248 177.584 0.100 0.000 1.169 480 A CA 2.639 54.645 52.037 -0.052 0.000 0.635 480 A CB -0.981 18.006 19.000 -0.022 0.000 0.810 480 A HN 0.470 nan 8.150 nan 0.000 0.446 481 T N -1.300 113.328 114.554 0.123 0.000 2.857 481 T HA -0.064 4.304 4.350 0.031 0.000 0.266 481 T C 1.866 176.706 174.700 0.235 0.000 1.048 481 T CA 1.194 63.382 62.100 0.148 0.000 1.139 481 T CB -0.500 68.409 68.868 0.069 0.000 0.874 481 T HN 0.290 nan 8.240 nan 0.000 0.455 482 L N 0.317 121.673 121.223 0.221 0.000 2.046 482 L HA -0.125 4.233 4.340 0.031 0.000 0.208 482 L C 2.807 179.853 176.870 0.292 0.000 1.077 482 L CA 1.647 56.629 54.840 0.237 0.000 0.747 482 L CB -0.429 41.760 42.059 0.218 0.000 0.896 482 L HN 0.386 nan 8.230 nan 0.000 0.432 483 H N -1.698 117.454 119.070 0.136 0.000 2.352 483 H HA -0.259 4.316 4.556 0.031 0.000 0.299 483 H C 2.071 177.459 175.328 0.100 0.000 1.097 483 H CA 1.640 57.748 56.048 0.099 0.000 1.311 483 H CB -0.123 29.691 29.762 0.087 0.000 1.377 483 H HN 0.436 nan 8.280 nan 0.000 0.504 484 F N 2.132 122.177 119.950 0.158 0.000 2.095 484 F HA -0.274 4.272 4.527 0.031 0.000 0.298 484 F C 2.504 178.342 175.800 0.063 0.000 1.104 484 F CA 1.612 59.662 58.000 0.083 0.000 1.232 484 F CB -0.154 38.880 39.000 0.056 0.000 0.987 484 F HN 0.106 nan 8.300 nan 0.000 0.475 485 Q N -0.284 119.639 119.800 0.205 0.000 2.084 485 Q HA -0.255 4.104 4.340 0.031 0.000 0.202 485 Q C 2.242 178.224 176.000 -0.030 0.000 0.978 485 Q CA 1.962 57.817 55.803 0.088 0.000 0.844 485 Q CB -0.360 28.474 28.738 0.160 0.000 0.898 485 Q HN 0.615 nan 8.270 nan 0.000 0.426 486 Q N -0.257 119.547 119.800 0.006 0.000 2.079 486 Q HA -0.134 4.224 4.340 0.031 0.000 0.200 486 Q C 1.856 177.803 176.000 -0.089 0.000 0.974 486 Q CA 0.805 56.591 55.803 -0.028 0.000 0.840 486 Q CB 0.127 28.858 28.738 -0.012 0.000 0.898 486 Q HN 0.227 nan 8.270 nan 0.000 0.430 487 L N -0.568 120.577 121.223 -0.129 0.000 2.127 487 L HA 0.056 4.415 4.340 0.031 0.000 0.203 487 L C 1.975 178.706 176.870 -0.232 0.000 1.080 487 L CA 1.523 56.269 54.840 -0.156 0.000 0.768 487 L CB -0.800 41.183 42.059 -0.125 0.000 0.924 487 L HN 0.090 nan 8.230 nan 0.000 0.444 488 A N -2.299 120.263 122.820 -0.429 0.000 2.169 488 A HA 0.231 4.569 4.320 0.031 0.000 0.210 488 A C 1.838 179.216 177.584 -0.344 0.000 1.168 488 A CA 0.910 52.633 52.037 -0.523 0.000 0.813 488 A CB 0.134 18.420 19.000 -1.191 0.000 0.861 488 A HN 0.173 nan 8.150 nan 0.000 0.481 489 V N -1.938 117.820 119.914 -0.259 0.000 3.054 489 V HA 0.545 4.683 4.120 0.031 0.000 0.227 489 V C 0.968 177.016 176.094 -0.076 0.000 1.252 489 V CA 0.642 62.865 62.300 -0.128 0.000 1.279 489 V CB 0.113 31.894 31.823 -0.070 0.000 1.118 489 V HN 0.825 nan 8.190 nan 0.000 0.504 490 G N -0.293 108.467 108.800 -0.066 0.000 2.358 490 G HA2 0.312 4.291 3.960 0.031 0.000 0.303 490 G HA3 0.312 4.291 3.960 0.031 0.000 0.303 490 G C -2.930 171.957 174.900 -0.022 0.000 1.537 490 G CA -0.078 44.998 45.100 -0.041 0.000 0.928 490 G HN -0.011 nan 8.290 nan 0.000 0.656 491 P HA -0.006 nan 4.420 nan 0.000 0.219 491 P C 1.673 178.978 177.300 0.008 0.000 1.146 491 P CA 2.176 65.272 63.100 -0.005 0.000 0.808 491 P CB 0.116 31.811 31.700 -0.008 0.000 0.779 492 N N -0.586 118.118 118.700 0.007 0.000 2.322 492 N HA 0.000 4.758 4.740 0.031 0.000 0.194 492 N C 1.172 176.695 175.510 0.021 0.000 1.126 492 N CA 0.125 53.183 53.050 0.014 0.000 0.845 492 N CB -0.671 37.821 38.487 0.010 0.000 0.976 492 N HN -0.000 nan 8.380 nan 0.000 0.475 493 R N 0.265 120.779 120.500 0.023 0.000 2.633 493 R HA 0.241 4.600 4.340 0.031 0.000 0.348 493 R C -0.518 175.814 176.300 0.054 0.000 1.100 493 R CA -0.229 55.890 56.100 0.033 0.000 1.068 493 R CB -0.515 29.798 30.300 0.022 0.000 1.351 493 R HN 0.288 nan 8.270 nan 0.000 0.575 494 V N 1.707 121.656 119.914 0.059 0.000 2.470 494 V HA 0.217 4.356 4.120 0.031 0.000 0.276 494 V C 0.501 176.642 176.094 0.079 0.000 1.040 494 V CA 0.370 62.719 62.300 0.081 0.000 1.008 494 V CB 1.196 33.068 31.823 0.082 0.000 0.990 494 V HN 0.209 nan 8.190 nan 0.000 0.477 495 T N 3.180 117.789 114.554 0.091 0.000 3.193 495 T HA 0.549 4.917 4.350 0.031 0.000 0.332 495 T C 0.451 175.208 174.700 0.094 0.000 1.208 495 T CA 0.627 62.776 62.100 0.082 0.000 1.080 495 T CB 1.024 69.930 68.868 0.064 0.000 1.180 495 T HN 1.538 nan 8.240 nan 0.000 0.469 496 G N 2.831 111.693 108.800 0.103 0.000 2.162 496 G HA2 -0.295 3.683 3.960 0.031 0.000 0.260 496 G HA3 -0.295 3.683 3.960 0.031 0.000 0.260 496 G C 0.709 175.730 174.900 0.201 0.000 0.976 496 G CA 1.473 46.644 45.100 0.119 0.000 0.655 496 G HN 1.661 nan 8.290 nan 0.000 0.533 497 T N -2.981 111.710 114.554 0.229 0.000 2.975 497 T HA 0.416 4.784 4.350 0.031 0.000 0.257 497 T C 0.976 175.860 174.700 0.306 0.000 1.003 497 T CA -0.055 62.254 62.100 0.347 0.000 0.932 497 T CB 0.529 69.551 68.868 0.256 0.000 1.087 497 T HN 0.460 nan 8.240 nan 0.000 0.512 498 R N 1.042 121.657 120.500 0.192 0.000 2.490 498 R HA 0.573 4.931 4.340 0.031 0.000 0.278 498 R C -0.613 175.725 176.300 0.064 0.000 1.069 498 R CA -0.297 55.870 56.100 0.111 0.000 1.080 498 R CB 0.823 31.172 30.300 0.083 0.000 1.030 498 R HN 0.294 nan 8.270 nan 0.000 0.491 499 L N 2.627 123.843 121.223 -0.011 0.000 2.511 499 L HA 0.235 4.593 4.340 0.031 0.000 0.252 499 L C -0.158 176.697 176.870 -0.024 0.000 1.542 499 L CA 0.067 54.870 54.840 -0.063 0.000 0.822 499 L CB 1.047 42.969 42.059 -0.229 0.000 1.050 499 L HN 0.601 nan 8.230 nan 0.000 0.516 500 E N 1.212 121.409 120.200 -0.005 0.000 2.338 500 E HA 0.147 4.516 4.350 0.031 0.000 0.231 500 E C -0.390 176.195 176.600 -0.024 0.000 1.231 500 E CA -0.177 56.222 56.400 -0.002 0.000 1.490 500 E CB 0.295 30.001 29.700 0.010 0.000 1.360 500 E HN 0.372 nan 8.360 nan 0.000 0.435 501 N N -0.135 118.533 118.700 -0.052 0.000 2.396 501 N HA 0.514 5.272 4.740 0.031 0.000 0.275 501 N C -1.064 174.326 175.510 -0.200 0.000 1.218 501 N CA 0.135 53.128 53.050 -0.095 0.000 0.812 501 N CB 1.935 40.377 38.487 -0.074 0.000 1.592 501 N HN 0.129 nan 8.380 nan 0.000 0.480 502 G N 0.429 109.077 108.800 -0.253 0.000 2.788 502 G HA2 0.051 4.030 3.960 0.031 0.000 0.686 502 G HA3 0.051 4.030 3.960 0.031 0.000 0.686 502 G C -1.045 173.510 174.900 -0.576 0.000 1.147 502 G CA -0.326 44.515 45.100 -0.433 0.000 0.755 502 G HN 0.714 nan 8.290 nan 0.000 0.634 503 S N 1.363 116.744 115.700 -0.532 0.000 2.488 503 S HA 0.582 5.071 4.470 0.031 0.000 0.310 503 S C 1.284 175.548 174.600 -0.560 0.000 1.093 503 S CA -0.415 57.450 58.200 -0.560 0.000 1.129 503 S CB 0.105 62.970 63.200 -0.560 0.000 0.989 503 S HN 0.591 nan 8.310 nan 0.000 0.479 504 Y N 3.621 123.822 120.300 -0.165 0.000 2.224 504 Y HA -0.147 4.421 4.550 0.029 0.000 0.289 504 Y C 2.647 178.482 175.900 -0.109 0.000 1.146 504 Y CA 1.905 59.969 58.100 -0.060 0.000 1.182 504 Y CB -0.618 37.869 38.460 0.045 0.000 0.983 504 Y HN 0.842 nan 8.280 nan 0.000 0.524 505 H N -2.094 116.965 119.070 -0.018 0.000 2.421 505 H HA 0.006 4.580 4.556 0.030 0.000 0.298 505 H C 2.341 177.592 175.328 -0.129 0.000 1.087 505 H CA 1.250 57.247 56.048 -0.085 0.000 1.330 505 H CB -1.082 28.646 29.762 -0.058 0.000 1.388 505 H HN 0.358 nan 8.280 nan 0.000 0.526 506 G N 1.195 109.628 108.800 -0.611 0.000 2.408 506 G HA2 -0.147 3.831 3.960 0.031 0.000 0.217 506 G HA3 -0.147 3.831 3.960 0.031 0.000 0.217 506 G C 1.898 176.639 174.900 -0.265 0.000 1.150 506 G CA 1.195 46.051 45.100 -0.406 0.000 0.776 506 G HN 0.368 nan 8.290 nan 0.000 0.542 507 V N 1.596 121.377 119.914 -0.222 0.000 2.295 507 V HA -0.141 3.998 4.120 0.031 0.000 0.246 507 V C 3.327 179.365 176.094 -0.092 0.000 1.049 507 V CA 2.036 64.260 62.300 -0.127 0.000 1.024 507 V CB -0.877 30.977 31.823 0.052 0.000 0.648 507 V HN 0.464 nan 8.190 nan 0.000 0.447 508 A N 0.030 122.719 122.820 -0.219 0.000 1.902 508 A HA -0.121 4.217 4.320 0.031 0.000 0.217 508 A C 2.424 179.895 177.584 -0.188 0.000 1.181 508 A CA 2.121 53.858 52.037 -0.499 0.000 0.623 508 A CB -0.812 17.537 19.000 -1.085 0.000 0.818 508 A HN 0.577 nan 8.150 nan 0.000 0.443 509 A N -0.216 122.503 122.820 -0.170 0.000 1.933 509 A HA 0.175 4.513 4.320 0.031 0.000 0.218 509 A C 2.438 179.964 177.584 -0.096 0.000 1.175 509 A CA 1.950 53.920 52.037 -0.111 0.000 0.628 509 A CB -0.903 18.029 19.000 -0.114 0.000 0.814 509 A HN 1.088 nan 8.150 nan 0.000 0.444 510 A N -1.668 121.053 122.820 -0.165 0.000 2.067 510 A HA 0.090 4.429 4.320 0.031 0.000 0.219 510 A C 1.552 178.997 177.584 -0.231 0.000 1.158 510 A CA 1.094 52.991 52.037 -0.233 0.000 0.661 510 A CB -0.580 18.208 19.000 -0.353 0.000 0.801 510 A HN 0.440 nan 8.150 nan 0.000 0.452 511 F N -0.837 119.111 119.950 -0.003 0.000 2.765 511 F HA 0.344 4.889 4.527 0.030 0.000 0.302 511 F C 1.849 177.680 175.800 0.051 0.000 1.111 511 F CA 0.267 58.298 58.000 0.052 0.000 1.359 511 F CB 0.014 39.095 39.000 0.135 0.000 1.097 511 F HN 0.354 nan 8.300 nan 0.000 0.577 512 G N -0.070 108.822 108.800 0.154 0.000 2.157 512 G HA2 -0.096 3.883 3.960 0.031 0.000 0.239 512 G HA3 -0.096 3.883 3.960 0.031 0.000 0.239 512 G C 0.387 175.344 174.900 0.094 0.000 0.982 512 G CA -0.118 45.043 45.100 0.102 0.000 0.650 512 G HN 0.619 nan 8.290 nan 0.000 0.527 513 A N -0.008 122.872 122.820 0.099 0.000 2.286 513 A HA 0.606 4.945 4.320 0.031 0.000 0.286 513 A C 0.078 177.661 177.584 -0.001 0.000 1.097 513 A CA -0.148 51.940 52.037 0.085 0.000 0.821 513 A CB 0.443 19.513 19.000 0.117 0.000 1.076 513 A HN 0.193 nan 8.150 nan 0.000 0.490 514 D N 0.917 121.328 120.400 0.019 0.000 2.383 514 D HA 0.419 5.078 4.640 0.031 0.000 0.252 514 D C 0.393 176.648 176.300 -0.075 0.000 1.166 514 D CA 0.961 54.919 54.000 -0.069 0.000 0.879 514 D CB 1.071 41.855 40.800 -0.027 0.000 1.164 514 D HN 0.654 nan 8.370 nan 0.000 0.462 515 G N 1.643 110.327 108.800 -0.193 0.000 2.415 515 G HA2 0.536 4.514 3.960 0.031 0.000 0.327 515 G HA3 0.536 4.514 3.960 0.031 0.000 0.327 515 G C -1.278 173.491 174.900 -0.218 0.000 1.182 515 G CA -0.505 44.550 45.100 -0.074 0.000 0.924 515 G HN 0.334 nan 8.290 nan 0.000 0.470 516 Y N 0.238 120.563 120.300 0.042 0.000 2.477 516 Y HA 0.502 5.069 4.550 0.028 0.000 0.347 516 Y C -0.321 175.523 175.900 -0.093 0.000 0.981 516 Y CA -1.024 57.077 58.100 0.001 0.000 1.033 516 Y CB 2.886 41.367 38.460 0.037 0.000 1.245 516 Y HN 0.640 nan 8.280 nan 0.000 0.455 517 H N 2.364 121.335 119.070 -0.164 0.000 2.744 517 H HA 0.716 5.291 4.556 0.031 0.000 0.339 517 H C -1.561 173.689 175.328 -0.129 0.000 1.004 517 H CA -1.265 54.569 56.048 -0.357 0.000 1.257 517 H CB 1.156 30.427 29.762 -0.818 0.000 1.552 517 H HN 0.567 nan 8.280 nan 0.000 0.522 518 V N 2.311 122.196 119.914 -0.047 0.000 3.130 518 V HA 0.611 4.750 4.120 0.031 0.000 0.310 518 V C -0.609 175.400 176.094 -0.142 0.000 1.158 518 V CA -0.595 61.651 62.300 -0.091 0.000 1.029 518 V CB 2.610 34.455 31.823 0.037 0.000 1.057 518 V HN 0.837 nan 8.190 nan 0.000 0.436 519 D N -0.205 120.135 120.400 -0.100 0.000 2.640 519 D HA 0.264 4.922 4.640 0.031 0.000 0.282 519 D C -0.005 176.284 176.300 -0.019 0.000 1.558 519 D CA 0.713 54.664 54.000 -0.081 0.000 0.820 519 D CB -0.047 40.683 40.800 -0.117 0.000 1.243 519 D HN 1.179 nan 8.370 nan 0.000 0.456 520 S N -1.746 113.967 115.700 0.022 0.000 2.596 520 S HA 0.458 4.947 4.470 0.031 0.000 0.270 520 S C 0.811 175.478 174.600 0.112 0.000 1.155 520 S CA -0.357 57.874 58.200 0.053 0.000 0.827 520 S CB 1.522 64.739 63.200 0.029 0.000 1.130 520 S HN -0.188 nan 8.310 nan 0.000 0.467 521 V N 1.463 121.432 119.914 0.091 0.000 2.282 521 V HA -0.169 3.970 4.120 0.031 0.000 0.249 521 V C 3.308 179.439 176.094 0.062 0.000 1.057 521 V CA 3.026 65.376 62.300 0.084 0.000 1.032 521 V CB -1.767 30.054 31.823 -0.003 0.000 0.645 521 V HN 1.049 nan 8.190 nan 0.000 0.447 522 E N 0.391 120.612 120.200 0.035 0.000 2.072 522 E HA -0.253 4.115 4.350 0.031 0.000 0.191 522 E C 2.307 178.934 176.600 0.046 0.000 0.985 522 E CA 1.817 58.230 56.400 0.021 0.000 0.801 522 E CB -0.894 28.811 29.700 0.007 0.000 0.750 522 E HN 0.880 nan 8.360 nan 0.000 0.452 523 S N -0.248 115.492 115.700 0.068 0.000 2.368 523 S HA -0.071 4.417 4.470 0.031 0.000 0.224 523 S C 2.010 176.701 174.600 0.151 0.000 1.029 523 S CA 1.249 59.497 58.200 0.081 0.000 0.988 523 S CB -0.472 62.758 63.200 0.050 0.000 0.838 523 S HN 0.513 nan 8.310 nan 0.000 0.462 524 F N 3.221 123.158 119.950 -0.021 0.000 2.113 524 F HA 0.033 4.577 4.527 0.029 0.000 0.297 524 F C 2.445 178.224 175.800 -0.035 0.000 1.103 524 F CA 1.022 59.004 58.000 -0.030 0.000 1.248 524 F CB -1.213 37.775 39.000 -0.020 0.000 0.999 524 F HN 0.208 nan 8.300 nan 0.000 0.475 525 S N 0.807 116.451 115.700 -0.094 0.000 2.370 525 S HA -0.203 4.285 4.470 0.031 0.000 0.226 525 S C 2.376 176.920 174.600 -0.093 0.000 1.033 525 S CA 1.272 59.360 58.200 -0.187 0.000 1.011 525 S CB -1.011 62.125 63.200 -0.108 0.000 0.852 525 S HN 0.534 nan 8.310 nan 0.000 0.457 526 A N 1.737 124.543 122.820 -0.024 0.000 1.877 526 A HA 0.098 4.436 4.320 0.031 0.000 0.216 526 A C 2.413 179.985 177.584 -0.021 0.000 1.186 526 A CA 1.786 53.823 52.037 -0.000 0.000 0.620 526 A CB -1.252 17.768 19.000 0.034 0.000 0.822 526 A HN 0.531 nan 8.150 nan 0.000 0.443 527 A N -0.693 122.115 122.820 -0.021 0.000 1.908 527 A HA -0.063 4.275 4.320 0.031 0.000 0.218 527 A C 2.140 179.514 177.584 -0.350 0.000 1.181 527 A CA 1.839 53.770 52.037 -0.177 0.000 0.627 527 A CB -0.609 18.322 19.000 -0.116 0.000 0.818 527 A HN 0.674 nan 8.150 nan 0.000 0.445 528 L N -0.356 120.716 121.223 -0.253 0.000 2.093 528 L HA 0.017 4.376 4.340 0.031 0.000 0.208 528 L C 2.663 179.330 176.870 -0.339 0.000 1.085 528 L CA 2.008 56.650 54.840 -0.331 0.000 0.755 528 L CB -0.929 40.858 42.059 -0.453 0.000 0.904 528 L HN 0.345 nan 8.230 nan 0.000 0.435 529 A N -0.999 121.687 122.820 -0.223 0.000 1.908 529 A HA -0.282 4.056 4.320 0.031 0.000 0.218 529 A C 2.186 179.729 177.584 -0.069 0.000 1.181 529 A CA 1.971 53.933 52.037 -0.125 0.000 0.627 529 A CB -0.579 18.419 19.000 -0.004 0.000 0.818 529 A HN 0.644 nan 8.150 nan 0.000 0.445 530 Q N -0.719 119.065 119.800 -0.028 0.000 2.050 530 Q HA -0.088 4.270 4.340 0.031 0.000 0.202 530 Q C 2.458 178.571 176.000 0.188 0.000 0.980 530 Q CA 1.477 57.353 55.803 0.123 0.000 0.840 530 Q CB -0.413 28.444 28.738 0.198 0.000 0.898 530 Q HN 0.682 nan 8.270 nan 0.000 0.424 531 A N 0.756 123.557 122.820 -0.032 0.000 1.902 531 A HA -0.162 4.176 4.320 0.031 0.000 0.217 531 A C 2.049 179.657 177.584 0.040 0.000 1.181 531 A CA 1.169 53.214 52.037 0.012 0.000 0.623 531 A CB -0.650 18.243 19.000 -0.178 0.000 0.818 531 A HN 0.300 nan 8.150 nan 0.000 0.443 532 L N -0.969 120.213 121.223 -0.068 0.000 2.141 532 L HA -0.127 4.232 4.340 0.031 0.000 0.209 532 L C 2.974 179.825 176.870 -0.033 0.000 1.094 532 L CA 0.798 55.591 54.840 -0.079 0.000 0.763 532 L CB -0.361 41.579 42.059 -0.198 0.000 0.908 532 L HN 0.436 nan 8.230 nan 0.000 0.437 533 A N -1.553 121.249 122.820 -0.030 0.000 1.969 533 A HA -0.079 4.260 4.320 0.031 0.000 0.218 533 A C 0.933 178.395 177.584 -0.203 0.000 1.169 533 A CA 0.762 52.728 52.037 -0.118 0.000 0.635 533 A CB -0.449 18.451 19.000 -0.167 0.000 0.810 533 A HN 0.317 nan 8.150 nan 0.000 0.445 534 H N -1.219 117.871 119.070 0.032 0.000 2.472 534 H HA 0.139 4.711 4.556 0.028 0.000 0.335 534 H C -0.510 174.846 175.328 0.047 0.000 1.136 534 H CA -0.046 56.031 56.048 0.049 0.000 1.264 534 H CB 0.873 30.681 29.762 0.077 0.000 1.486 534 H HN 0.249 nan 8.280 nan 0.000 0.517 535 N N 3.348 122.140 118.700 0.154 0.000 3.324 535 N HA 0.134 4.892 4.740 0.031 0.000 0.302 535 N C -0.670 174.915 175.510 0.126 0.000 1.360 535 N CA -0.389 52.726 53.050 0.108 0.000 1.190 535 N CB -0.475 38.056 38.487 0.073 0.000 1.462 535 N HN 0.477 nan 8.380 nan 0.000 0.532 536 R N 0.626 121.216 120.500 0.149 0.000 2.698 536 R HA 0.523 4.881 4.340 0.031 0.000 0.275 536 R C -2.802 173.589 176.300 0.152 0.000 1.001 536 R CA -1.838 54.347 56.100 0.141 0.000 0.896 536 R CB 2.168 32.548 30.300 0.134 0.000 1.218 536 R HN 0.273 nan 8.270 nan 0.000 0.462 537 P HA 0.202 nan 4.420 nan 0.000 0.271 537 P C -1.296 176.144 177.300 0.233 0.000 1.218 537 P CA -0.192 63.033 63.100 0.208 0.000 0.780 537 P CB 1.258 33.108 31.700 0.249 0.000 0.901 538 A N 1.839 124.822 122.820 0.273 0.000 2.539 538 A HA 0.568 4.907 4.320 0.031 0.000 0.296 538 A C -1.294 176.487 177.584 0.329 0.000 1.073 538 A CA -0.555 51.657 52.037 0.292 0.000 0.700 538 A CB 1.401 20.588 19.000 0.313 0.000 1.296 538 A HN 0.634 nan 8.150 nan 0.000 0.405 539 C N 2.834 122.294 119.300 0.266 0.000 2.322 539 C HA 0.752 5.230 4.460 0.031 0.000 0.324 539 C C -0.809 174.345 174.990 0.274 0.000 1.249 539 C CA -0.545 58.612 59.018 0.232 0.000 1.453 539 C CB -1.308 26.400 27.740 -0.053 0.000 2.145 539 C HN 0.589 nan 8.230 nan 0.000 0.466 540 I N 6.338 127.029 120.570 0.201 0.000 2.359 540 I HA 0.293 4.481 4.170 0.031 0.000 0.284 540 I C 0.195 176.353 176.117 0.069 0.000 1.018 540 I CA 0.079 61.472 61.300 0.154 0.000 1.173 540 I CB 0.651 38.702 38.000 0.085 0.000 1.326 540 I HN 0.703 nan 8.210 nan 0.000 0.462 541 N N 6.101 124.853 118.700 0.086 0.000 2.415 541 N HA 0.309 5.067 4.740 0.031 0.000 0.246 541 N C -1.049 174.487 175.510 0.043 0.000 1.078 541 N CA -0.394 52.694 53.050 0.063 0.000 0.942 541 N CB 0.919 39.446 38.487 0.065 0.000 1.140 541 N HN 0.289 nan 8.380 nan 0.000 0.501 542 V N 2.958 122.815 119.914 -0.094 0.000 2.328 542 V HA 0.374 4.512 4.120 0.031 0.000 0.278 542 V C 0.359 176.396 176.094 -0.095 0.000 1.021 542 V CA -0.980 61.187 62.300 -0.223 0.000 0.838 542 V CB 0.856 32.311 31.823 -0.613 0.000 0.999 542 V HN 0.732 nan 8.190 nan 0.000 0.447 543 A N 5.872 128.683 122.820 -0.014 0.000 2.444 543 A HA 0.592 4.930 4.320 0.031 0.000 0.273 543 A C 0.047 177.606 177.584 -0.041 0.000 1.136 543 A CA -0.085 51.962 52.037 0.016 0.000 0.799 543 A CB 0.070 19.097 19.000 0.045 0.000 1.081 543 A HN 1.306 nan 8.150 nan 0.000 0.509 544 V N 0.074 119.962 119.914 -0.045 0.000 3.001 544 V HA 0.913 5.052 4.120 0.031 0.000 0.314 544 V C 0.401 176.463 176.094 -0.053 0.000 1.099 544 V CA -0.684 61.575 62.300 -0.069 0.000 0.989 544 V CB 1.144 32.900 31.823 -0.112 0.000 1.040 544 V HN 1.523 nan 8.190 nan 0.000 0.434 545 A N 1.782 124.554 122.820 -0.081 0.000 2.483 545 A HA 0.503 4.841 4.320 0.031 0.000 0.238 545 A C 0.624 178.180 177.584 -0.047 0.000 1.070 545 A CA 0.327 52.326 52.037 -0.063 0.000 0.770 545 A CB 0.384 19.322 19.000 -0.103 0.000 1.008 545 A HN 1.487 nan 8.150 nan 0.000 0.497 546 L N 0.583 121.823 121.223 0.029 0.000 2.316 546 L HA 0.150 4.509 4.340 0.031 0.000 0.207 546 L C 1.379 178.396 176.870 0.245 0.000 1.070 546 L CA 1.725 56.632 54.840 0.112 0.000 0.820 546 L CB -0.469 41.661 42.059 0.118 0.000 0.992 546 L HN 0.711 nan 8.230 nan 0.000 0.466 547 D N 0.155 120.644 120.400 0.149 0.000 2.144 547 D HA -0.048 4.610 4.640 0.031 0.000 0.199 547 D C -1.422 174.956 176.300 0.130 0.000 0.984 547 D CA 0.646 54.718 54.000 0.120 0.000 0.834 547 D CB -1.563 39.266 40.800 0.049 0.000 0.955 547 D HN 0.319 nan 8.370 nan 0.000 0.465 548 P HA 0.017 nan 4.420 nan 0.000 0.264 548 P C -0.134 177.478 177.300 0.520 0.000 1.183 548 P CA 0.369 63.619 63.100 0.250 0.000 0.763 548 P CB 0.454 32.099 31.700 -0.091 0.000 0.807 549 I N 5.722 126.521 120.570 0.382 0.000 2.312 549 I HA 0.241 4.429 4.170 0.031 0.000 0.290 549 I C -1.865 174.189 176.117 -0.106 0.000 1.008 549 I CA -2.552 58.861 61.300 0.187 0.000 1.226 549 I CB 1.424 39.440 38.000 0.027 0.000 1.371 549 I HN 0.170 nan 8.210 nan 0.000 0.468 550 P HA 0.154 nan 4.420 nan 0.000 0.271 550 P C -2.298 174.618 177.300 -0.640 0.000 1.218 550 P CA -1.352 60.868 63.100 -1.467 0.000 0.780 550 P CB 0.326 31.033 31.700 -1.655 0.000 0.901 551 P HA -0.208 nan 4.420 nan 0.000 0.216 551 P C 1.431 178.568 177.300 -0.272 0.000 1.154 551 P CA 1.708 64.635 63.100 -0.288 0.000 0.865 551 P CB -0.024 31.546 31.700 -0.216 0.000 0.789 552 E N -0.582 119.452 120.200 -0.276 0.000 2.204 552 E HA -0.200 4.168 4.350 0.031 0.000 0.194 552 E C 1.992 178.492 176.600 -0.167 0.000 0.989 552 E CA 0.836 57.118 56.400 -0.196 0.000 0.824 552 E CB -0.367 29.257 29.700 -0.127 0.000 0.756 552 E HN 0.486 nan 8.360 nan 0.000 0.477 553 E N 0.688 120.767 120.200 -0.202 0.000 2.077 553 E HA -0.146 4.223 4.350 0.031 0.000 0.193 553 E C 2.204 178.760 176.600 -0.072 0.000 0.989 553 E CA 0.664 56.996 56.400 -0.113 0.000 0.800 553 E CB 0.008 29.654 29.700 -0.089 0.000 0.746 553 E HN 0.165 nan 8.360 nan 0.000 0.452 554 L N 0.457 121.618 121.223 -0.104 0.000 2.056 554 L HA -0.155 4.203 4.340 0.031 0.000 0.207 554 L C 2.535 179.353 176.870 -0.087 0.000 1.078 554 L CA 0.863 55.655 54.840 -0.080 0.000 0.749 554 L CB -0.336 41.669 42.059 -0.089 0.000 0.901 554 L HN 0.227 nan 8.230 nan 0.000 0.433 555 I N 0.153 120.625 120.570 -0.163 0.000 2.226 555 I HA -0.212 3.977 4.170 0.031 0.000 0.245 555 I C 1.665 177.751 176.117 -0.053 0.000 1.100 555 I CA 0.876 62.058 61.300 -0.197 0.000 1.374 555 I CB -0.321 37.433 38.000 -0.411 0.000 1.057 555 I HN 0.148 nan 8.210 nan 0.000 0.413 556 I N 0.000 120.550 120.570 -0.033 0.000 2.984 556 I HA 0.000 4.188 4.170 0.031 0.000 0.288 556 I CA 0.000 61.320 61.300 0.033 0.000 1.566 556 I CB 0.000 nan 38.000 nan 0.000 1.214 556 I HN 0.000 nan 8.210 nan 0.000 0.494