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 3baj_1_A DATA FIRST_RESID 2 DATA SEQUENCE YSPNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE YNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LTGLLDLALE KDYVRSKIAE YMNHLIDIGV AGFRLDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPAGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFVPSDR ALVFVDNHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KMAVGFMLAH PYGFTRVMSS YRWPRQFQNG DATA SEQUENCE NDVNDWVGPP NNNGVIKEVT INPDTTcGND WVcEHRWRQI RNMVIFRNVV DATA SEQUENCE DGQPFTNWYD NGSNQVAFGR GNRGFIVFNN DDWSFSLTLQ TGLPAGTYcD DATA SEQUENCE VISGDKINGN cTGIKIYVSD DGKAHFSISN SAEDPFIAIH AESKL 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 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.976 175.900 0.127 0.000 1.272 2 Y CA 0.000 58.207 58.100 0.178 0.000 1.940 2 Y CB 0.000 38.494 38.460 0.057 0.000 1.050 3 S N 3.598 119.384 115.700 0.144 0.000 2.499 3 S HA 0.279 4.749 4.470 -0.001 0.000 0.279 3 S C -1.912 172.431 174.600 -0.429 0.000 1.219 3 S CA -0.913 57.206 58.200 -0.136 0.000 1.062 3 S CB 1.589 64.756 63.200 -0.055 0.000 0.978 3 S HN -0.058 nan 8.310 nan 0.000 0.489 4 P HA -0.015 nan 4.420 nan 0.000 0.222 4 P C -0.002 177.093 177.300 -0.342 0.000 1.147 4 P CA 0.573 62.856 63.100 -1.361 0.000 0.790 4 P CB -0.001 30.762 31.700 -1.561 0.000 0.780 5 N N -2.451 116.144 118.700 -0.175 0.000 2.818 5 N HA -0.100 4.640 4.740 -0.001 0.000 0.250 5 N C -0.285 175.300 175.510 0.125 0.000 1.108 5 N CA 1.415 54.493 53.050 0.047 0.000 0.745 5 N CB -2.391 36.145 38.487 0.083 0.000 1.104 5 N HN 0.312 nan 8.380 nan 0.000 0.557 6 T N -1.525 113.053 114.554 0.040 0.000 2.904 6 T HA 0.353 4.703 4.350 -0.001 0.000 0.290 6 T C 0.779 175.506 174.700 0.045 0.000 1.018 6 T CA -0.765 61.381 62.100 0.077 0.000 1.075 6 T CB 1.898 70.822 68.868 0.093 0.000 0.986 6 T HN 0.284 nan 8.240 nan 0.000 0.523 7 Q N 1.512 121.327 119.800 0.025 0.000 2.394 7 Q HA 0.131 4.470 4.340 -0.001 0.000 0.248 7 Q C -0.485 175.518 176.000 0.005 0.000 0.992 7 Q CA -0.991 54.815 55.803 0.005 0.000 0.888 7 Q CB 0.451 29.177 28.738 -0.021 0.000 1.257 7 Q HN 0.496 nan 8.270 nan 0.000 0.462 8 Q N 0.862 120.663 119.800 0.001 0.000 2.955 8 Q HA -0.073 4.266 4.340 -0.001 0.000 0.361 8 Q C 0.866 176.861 176.000 -0.008 0.000 1.060 8 Q CA 1.888 57.690 55.803 -0.002 0.000 1.177 8 Q CB -0.173 28.562 28.738 -0.004 0.000 0.991 8 Q HN 1.096 nan 8.270 nan 0.000 0.414 9 G N 3.235 112.030 108.800 -0.010 0.000 2.195 9 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.224 9 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.224 9 G C 0.042 174.923 174.900 -0.031 0.000 0.990 9 G CA -0.142 44.944 45.100 -0.024 0.000 0.639 9 G HN 0.486 nan 8.290 nan 0.000 0.514 10 R N 0.769 121.263 120.500 -0.010 0.000 2.295 10 R HA 0.545 4.884 4.340 -0.001 0.000 0.324 10 R C 1.076 177.386 176.300 0.016 0.000 0.968 10 R CA 0.257 56.348 56.100 -0.014 0.000 0.837 10 R CB 1.059 31.369 30.300 0.017 0.000 1.133 10 R HN 0.303 nan 8.270 nan 0.000 0.450 11 T N -2.565 111.958 114.554 -0.052 0.000 3.044 11 T HA 0.217 4.567 4.350 -0.001 0.000 0.260 11 T C 0.448 174.916 174.700 -0.386 0.000 1.019 11 T CA -0.196 61.854 62.100 -0.083 0.000 0.921 11 T CB 0.433 69.238 68.868 -0.105 0.000 1.053 11 T HN 0.281 nan 8.240 nan 0.000 0.533 12 S N 1.158 116.670 115.700 -0.313 0.000 2.627 12 S HA 0.813 5.282 4.470 -0.001 0.000 0.283 12 S C -0.843 173.687 174.600 -0.115 0.000 1.127 12 S CA -1.084 56.852 58.200 -0.441 0.000 0.863 12 S CB 1.816 64.836 63.200 -0.300 0.000 1.121 12 S HN 0.580 nan 8.310 nan 0.000 0.479 13 I N -1.332 119.190 120.570 -0.080 0.000 2.892 13 I HA 0.916 5.086 4.170 -0.001 0.000 0.306 13 I C -1.119 175.055 176.117 0.096 0.000 1.078 13 I CA -1.101 60.264 61.300 0.107 0.000 1.032 13 I CB 1.826 39.897 38.000 0.119 0.000 1.229 13 I HN 0.453 nan 8.210 nan 0.000 0.435 14 V N 2.963 122.937 119.914 0.100 0.000 2.680 14 V HA 0.440 4.560 4.120 -0.001 0.000 0.309 14 V C -1.151 174.951 176.094 0.013 0.000 1.052 14 V CA -0.335 61.974 62.300 0.015 0.000 0.908 14 V CB 1.711 33.439 31.823 -0.159 0.000 1.001 14 V HN 0.883 nan 8.190 nan 0.000 0.431 15 H N 6.684 125.699 119.070 -0.092 0.000 2.820 15 H HA 0.416 4.972 4.556 -0.001 0.000 0.278 15 H C -0.413 174.830 175.328 -0.142 0.000 1.142 15 H CA -0.581 55.435 56.048 -0.053 0.000 1.346 15 H CB 0.472 30.235 29.762 0.001 0.000 1.438 15 H HN 0.607 nan 8.280 nan 0.000 0.473 16 L N 6.993 128.090 121.223 -0.210 0.000 2.423 16 L HA 0.094 4.434 4.340 -0.001 0.000 0.249 16 L C 0.106 176.829 176.870 -0.245 0.000 1.276 16 L CA -0.642 53.784 54.840 -0.690 0.000 1.199 16 L CB -0.760 40.579 42.059 -1.201 0.000 1.407 16 L HN 0.468 nan 8.230 nan 0.000 0.410 17 F N 4.309 123.985 119.950 -0.456 0.000 2.569 17 F HA -0.074 4.452 4.527 -0.001 0.000 0.395 17 F C 1.368 177.376 175.800 0.347 0.000 1.028 17 F CA 0.407 58.247 58.000 -0.267 0.000 1.158 17 F CB -0.142 38.602 39.000 -0.428 0.000 1.023 17 F HN 0.519 nan 8.300 nan 0.000 0.547 18 E N 2.243 122.432 120.200 -0.018 0.000 3.801 18 E HA -0.302 4.048 4.350 -0.001 0.000 0.319 18 E C -0.364 176.347 176.600 0.184 0.000 0.784 18 E CA 0.970 57.355 56.400 -0.025 0.000 1.183 18 E CB -1.706 27.868 29.700 -0.210 0.000 1.601 18 E HN 0.641 nan 8.360 nan 0.000 0.441 19 W N 1.643 122.871 121.300 -0.121 0.000 2.112 19 W HA 0.186 4.846 4.660 -0.001 0.000 0.349 19 W C 1.490 177.843 176.519 -0.278 0.000 1.289 19 W CA 0.087 57.259 57.345 -0.288 0.000 1.256 19 W CB 0.249 29.536 29.460 -0.288 0.000 1.148 19 W HN -0.096 nan 8.180 nan 0.000 0.590 20 R N 1.537 121.976 120.500 -0.102 0.000 2.490 20 R HA 0.134 4.473 4.340 -0.001 0.000 0.278 20 R C 1.013 177.349 176.300 0.060 0.000 1.069 20 R CA -0.480 55.490 56.100 -0.216 0.000 1.080 20 R CB 0.581 30.776 30.300 -0.176 0.000 1.030 20 R HN 0.680 nan 8.270 nan 0.000 0.491 21 W N 0.687 122.036 121.300 0.082 0.000 2.318 21 W HA -0.257 4.402 4.660 -0.001 0.000 0.313 21 W C 1.958 178.489 176.519 0.019 0.000 1.221 21 W CA 0.287 57.666 57.345 0.057 0.000 1.266 21 W CB -0.336 29.174 29.460 0.084 0.000 1.150 21 W HN 0.432 nan 8.180 nan 0.000 0.496 22 V N 1.102 121.157 119.914 0.235 0.000 2.407 22 V HA -0.264 3.856 4.120 -0.001 0.000 0.248 22 V C 1.717 177.864 176.094 0.088 0.000 1.055 22 V CA 2.320 64.695 62.300 0.124 0.000 1.049 22 V CB -0.535 31.332 31.823 0.073 0.000 0.662 22 V HN 0.090 nan 8.190 nan 0.000 0.455 23 D N -0.197 120.247 120.400 0.072 0.000 2.183 23 D HA -0.060 4.580 4.640 -0.001 0.000 0.203 23 D C 2.043 178.476 176.300 0.221 0.000 0.969 23 D CA 1.559 55.593 54.000 0.055 0.000 0.842 23 D CB -0.007 40.704 40.800 -0.149 0.000 0.957 23 D HN 0.500 nan 8.370 nan 0.000 0.484 24 I N 1.208 121.935 120.570 0.261 0.000 2.353 24 I HA -0.179 3.991 4.170 -0.001 0.000 0.248 24 I C 2.558 178.717 176.117 0.070 0.000 1.119 24 I CA 0.549 61.955 61.300 0.176 0.000 1.417 24 I CB -0.201 37.891 38.000 0.154 0.000 1.078 24 I HN -0.108 nan 8.210 nan 0.000 0.421 25 A N 1.390 124.249 122.820 0.064 0.000 1.883 25 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 25 A C 2.306 179.905 177.584 0.026 0.000 1.186 25 A CA 1.523 53.567 52.037 0.011 0.000 0.624 25 A CB -0.885 18.124 19.000 0.015 0.000 0.822 25 A HN 0.357 nan 8.150 nan 0.000 0.444 26 L N -1.128 120.127 121.223 0.053 0.000 2.017 26 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 26 L C 2.663 179.579 176.870 0.077 0.000 1.073 26 L CA 1.788 56.662 54.840 0.056 0.000 0.745 26 L CB -0.465 41.624 42.059 0.051 0.000 0.894 26 L HN 0.456 nan 8.230 nan 0.000 0.432 27 E N -0.429 119.837 120.200 0.110 0.000 2.118 27 E HA -0.220 4.130 4.350 -0.001 0.000 0.195 27 E C 2.242 178.886 176.600 0.073 0.000 0.992 27 E CA 1.509 57.983 56.400 0.123 0.000 0.804 27 E CB -0.226 29.550 29.700 0.128 0.000 0.741 27 E HN 0.448 nan 8.360 nan 0.000 0.458 28 c N 0.481 119.093 118.600 0.019 0.000 2.432 28 c HA -0.104 4.466 4.570 -0.001 0.000 0.277 28 c C 2.351 176.454 174.090 0.022 0.000 1.249 28 c CA 1.158 57.483 56.329 -0.006 0.000 1.725 28 c CB -0.894 41.585 42.510 -0.052 0.000 2.028 28 c HN 0.545 nan 8.230 nan 0.000 0.477 29 E N 0.598 120.813 120.200 0.026 0.000 2.028 29 E HA -0.186 4.164 4.350 -0.001 0.000 0.190 29 E C 2.308 178.941 176.600 0.055 0.000 0.984 29 E CA 1.081 57.499 56.400 0.030 0.000 0.800 29 E CB -0.313 29.402 29.700 0.024 0.000 0.758 29 E HN 0.694 nan 8.360 nan 0.000 0.448 30 R N -0.902 119.649 120.500 0.085 0.000 2.275 30 R HA -0.029 4.311 4.340 -0.001 0.000 0.199 30 R C 1.118 177.533 176.300 0.193 0.000 0.989 30 R CA 1.020 57.190 56.100 0.116 0.000 1.016 30 R CB 0.098 30.467 30.300 0.114 0.000 0.918 30 R HN 0.257 nan 8.270 nan 0.000 0.473 31 Y N -0.137 120.186 120.300 0.037 0.000 3.147 31 Y HA 0.241 4.790 4.550 -0.001 0.000 0.219 31 Y C 1.751 177.690 175.900 0.066 0.000 1.021 31 Y CA -0.237 57.894 58.100 0.051 0.000 1.440 31 Y CB 0.145 38.628 38.460 0.038 0.000 1.472 31 Y HN -0.163 nan 8.280 nan 0.000 0.408 32 L N 0.597 121.919 121.223 0.165 0.000 1.990 32 L HA -0.259 4.081 4.340 -0.001 0.000 0.213 32 L C 2.606 179.571 176.870 0.158 0.000 1.072 32 L CA 1.770 56.671 54.840 0.103 0.000 0.755 32 L CB -1.034 41.019 42.059 -0.011 0.000 0.889 32 L HN 0.399 nan 8.230 nan 0.000 0.432 33 A N 0.314 123.177 122.820 0.072 0.000 1.845 33 A HA -0.107 4.212 4.320 -0.001 0.000 0.215 33 A C 0.186 177.785 177.584 0.026 0.000 1.195 33 A CA 1.654 53.718 52.037 0.045 0.000 0.616 33 A CB -1.889 17.119 19.000 0.015 0.000 0.832 33 A HN 0.277 nan 8.150 nan 0.000 0.443 34 P HA -0.153 nan 4.420 nan 0.000 0.216 34 P C 0.950 178.212 177.300 -0.062 0.000 1.153 34 P CA 1.551 64.630 63.100 -0.036 0.000 0.858 34 P CB -0.012 31.659 31.700 -0.049 0.000 0.789 35 K N -1.812 118.530 120.400 -0.096 0.000 2.487 35 K HA 0.250 4.569 4.320 -0.001 0.000 0.192 35 K C 1.152 177.734 176.600 -0.030 0.000 1.027 35 K CA 0.751 56.987 56.287 -0.084 0.000 1.054 35 K CB -0.834 31.550 32.500 -0.193 0.000 0.824 35 K HN 0.174 nan 8.250 nan 0.000 0.510 36 G N 0.233 109.042 108.800 0.016 0.000 2.132 36 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.228 36 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.228 36 G C -0.275 174.560 174.900 -0.109 0.000 1.000 36 G CA -0.462 44.602 45.100 -0.060 0.000 0.693 36 G HN 0.155 nan 8.290 nan 0.000 0.515 37 F N 0.443 120.380 119.950 -0.021 0.000 2.399 37 F HA 0.530 5.057 4.527 -0.001 0.000 0.342 37 F C 1.785 177.590 175.800 0.008 0.000 1.106 37 F CA 0.758 58.758 58.000 0.000 0.000 1.196 37 F CB 1.405 40.419 39.000 0.022 0.000 1.163 37 F HN 0.001 nan 8.300 nan 0.000 0.547 38 G N 1.220 110.118 108.800 0.165 0.000 2.408 38 G HA2 0.396 4.355 3.960 -0.001 0.000 0.215 38 G HA3 0.396 4.355 3.960 -0.001 0.000 0.215 38 G C 0.500 175.526 174.900 0.209 0.000 1.156 38 G CA 0.689 45.884 45.100 0.159 0.000 0.793 38 G HN 1.009 nan 8.290 nan 0.000 0.535 39 G N -2.053 106.904 108.800 0.263 0.000 2.489 39 G HA2 0.476 4.435 3.960 -0.001 0.000 0.305 39 G HA3 0.476 4.435 3.960 -0.001 0.000 0.305 39 G C -2.193 172.850 174.900 0.238 0.000 1.311 39 G CA -0.182 45.093 45.100 0.291 0.000 0.813 39 G HN 0.490 nan 8.290 nan 0.000 0.480 40 V N 0.244 120.300 119.914 0.238 0.000 2.760 40 V HA 0.503 4.623 4.120 -0.001 0.000 0.309 40 V C -0.501 175.754 176.094 0.269 0.000 1.077 40 V CA -0.757 61.629 62.300 0.143 0.000 0.910 40 V CB 1.873 33.677 31.823 -0.032 0.000 1.008 40 V HN 0.717 nan 8.190 nan 0.000 0.424 41 Q N 2.302 122.245 119.800 0.240 0.000 2.274 41 Q HA 0.587 4.927 4.340 -0.001 0.000 0.256 41 Q C -0.545 175.627 176.000 0.286 0.000 0.927 41 Q CA -0.341 55.616 55.803 0.257 0.000 0.939 41 Q CB 2.137 30.928 28.738 0.089 0.000 1.201 41 Q HN 0.781 nan 8.270 nan 0.000 0.426 42 V N -0.017 120.061 119.914 0.273 0.000 2.850 42 V HA 0.589 4.708 4.120 -0.001 0.000 0.315 42 V C 0.153 176.504 176.094 0.429 0.000 1.064 42 V CA -0.822 61.710 62.300 0.387 0.000 0.979 42 V CB 1.859 33.896 31.823 0.357 0.000 1.039 42 V HN 0.647 nan 8.190 nan 0.000 0.452 43 S N 2.731 118.741 115.700 0.518 0.000 2.600 43 S HA 0.385 4.855 4.470 -0.001 0.000 0.265 43 S C -2.435 172.379 174.600 0.357 0.000 1.325 43 S CA -0.494 57.950 58.200 0.407 0.000 1.002 43 S CB 0.275 63.666 63.200 0.318 0.000 0.921 43 S HN 0.842 nan 8.310 nan 0.000 0.554 44 P HA -0.003 nan 4.420 nan 0.000 0.257 44 P C -1.873 175.581 177.300 0.256 0.000 1.162 44 P CA -0.507 62.669 63.100 0.126 0.000 0.762 44 P CB 0.049 31.688 31.700 -0.103 0.000 0.753 45 P HA -0.041 nan 4.420 nan 0.000 0.255 45 P C -0.213 177.198 177.300 0.186 0.000 1.248 45 P CA 0.562 63.857 63.100 0.325 0.000 0.807 45 P CB 0.236 31.820 31.700 -0.194 0.000 1.150 46 N N 0.601 119.388 118.700 0.145 0.000 2.508 46 N HA 0.050 4.790 4.740 -0.001 0.000 0.285 46 N C -0.209 175.292 175.510 -0.016 0.000 1.144 46 N CA -0.476 52.606 53.050 0.052 0.000 0.978 46 N CB 1.360 39.815 38.487 -0.054 0.000 1.180 46 N HN -0.042 nan 8.380 nan 0.000 0.484 47 E N 0.650 120.819 120.200 -0.053 0.000 2.558 47 E HA -0.108 4.241 4.350 -0.001 0.000 0.255 47 E C -0.424 176.091 176.600 -0.141 0.000 0.968 47 E CA 0.040 56.391 56.400 -0.082 0.000 0.939 47 E CB 0.235 29.886 29.700 -0.082 0.000 0.921 47 E HN 0.723 nan 8.360 nan 0.000 0.477 48 N N 2.156 120.774 118.700 -0.135 0.000 2.469 48 N HA 0.244 4.984 4.740 -0.001 0.000 0.286 48 N C -0.829 174.559 175.510 -0.204 0.000 1.275 48 N CA -0.759 52.192 53.050 -0.165 0.000 0.790 48 N CB 1.082 39.499 38.487 -0.118 0.000 1.446 48 N HN 0.174 nan 8.380 nan 0.000 0.501 49 V N 0.214 119.993 119.914 -0.225 0.000 2.637 49 V HA 0.319 4.439 4.120 -0.001 0.000 0.296 49 V C 0.711 176.734 176.094 -0.118 0.000 1.046 49 V CA -0.523 61.653 62.300 -0.207 0.000 1.066 49 V CB 0.582 32.335 31.823 -0.117 0.000 0.968 49 V HN 0.850 nan 8.190 nan 0.000 0.483 50 A N 6.871 129.650 122.820 -0.068 0.000 2.316 50 A HA 0.637 4.956 4.320 -0.001 0.000 0.311 50 A C -0.294 177.147 177.584 -0.240 0.000 1.339 50 A CA -0.353 51.568 52.037 -0.193 0.000 0.960 50 A CB -0.242 18.697 19.000 -0.100 0.000 1.152 50 A HN 0.762 nan 8.150 nan 0.000 0.547 51 I N 2.740 123.084 120.570 -0.378 0.000 2.315 51 I HA 0.195 4.364 4.170 -0.001 0.000 0.291 51 I C -0.186 175.633 176.117 -0.498 0.000 1.006 51 I CA -0.094 61.032 61.300 -0.291 0.000 1.265 51 I CB 1.125 38.995 38.000 -0.216 0.000 1.387 51 I HN 0.793 nan 8.210 nan 0.000 0.475 52 Y N 3.359 123.626 120.300 -0.055 0.000 2.458 52 Y HA 0.177 4.727 4.550 -0.001 0.000 0.256 52 Y C 0.751 176.669 175.900 0.030 0.000 1.159 52 Y CA -0.173 57.941 58.100 0.023 0.000 1.261 52 Y CB 0.282 38.799 38.460 0.095 0.000 1.119 52 Y HN 0.481 nan 8.280 nan 0.000 0.524 53 N N 1.441 120.174 118.700 0.055 0.000 2.648 53 N HA 0.204 4.944 4.740 -0.001 0.000 0.261 53 N C -2.956 172.490 175.510 -0.107 0.000 1.138 53 N CA -1.865 51.172 53.050 -0.021 0.000 0.804 53 N CB 1.118 39.620 38.487 0.026 0.000 1.237 53 N HN -0.100 nan 8.380 nan 0.000 0.532 54 P HA 0.163 nan 4.420 nan 0.000 0.273 54 P C -0.336 176.798 177.300 -0.276 0.000 1.250 54 P CA -0.403 62.366 63.100 -0.553 0.000 0.793 54 P CB 0.665 31.490 31.700 -1.459 0.000 1.011 55 F N 2.690 122.491 119.950 -0.248 0.000 2.506 55 F HA 0.071 4.598 4.527 -0.001 0.000 0.369 55 F C 0.783 176.546 175.800 -0.061 0.000 1.114 55 F CA -0.105 57.864 58.000 -0.051 0.000 1.121 55 F CB -0.304 38.755 39.000 0.098 0.000 1.104 55 F HN 0.234 nan 8.300 nan 0.000 0.564 56 R N 3.706 123.740 120.500 -0.776 0.000 3.092 56 R HA -0.165 4.175 4.340 -0.001 0.000 0.245 56 R C -2.616 173.427 176.300 -0.429 0.000 0.881 56 R CA 0.296 55.958 56.100 -0.730 0.000 0.614 56 R CB -2.408 27.333 30.300 -0.932 0.000 1.128 56 R HN 0.409 nan 8.270 nan 0.000 0.483 57 P HA -0.023 nan 4.420 nan 0.000 0.272 57 P C 1.456 178.447 177.300 -0.515 0.000 1.240 57 P CA -0.482 62.297 63.100 -0.536 0.000 0.791 57 P CB 0.248 31.123 31.700 -1.374 0.000 0.978 58 W N 2.391 123.548 121.300 -0.237 0.000 2.363 58 W HA -0.102 4.558 4.660 -0.001 0.000 0.296 58 W C 1.734 178.346 176.519 0.155 0.000 1.212 58 W CA 0.804 58.151 57.345 0.005 0.000 1.260 58 W CB -1.868 27.762 29.460 0.283 0.000 1.131 58 W HN 0.465 nan 8.180 nan 0.000 0.530 59 W N 3.459 124.214 121.300 -0.908 0.000 2.961 59 W HA 0.000 4.660 4.660 -0.000 0.000 0.240 59 W C 1.440 177.849 176.519 -0.183 0.000 1.305 59 W CA 0.898 57.822 57.345 -0.703 0.000 1.465 59 W CB -1.397 27.328 29.460 -1.226 0.000 1.135 59 W HN 0.217 nan 8.180 nan 0.000 0.688 60 E N 1.621 121.769 120.200 -0.086 0.000 2.409 60 E HA -0.127 4.223 4.350 -0.001 0.000 0.198 60 E C 1.801 178.419 176.600 0.031 0.000 1.024 60 E CA 0.632 57.035 56.400 0.005 0.000 0.861 60 E CB -0.437 29.128 29.700 -0.224 0.000 0.788 60 E HN 0.267 nan 8.360 nan 0.000 0.521 61 R N -0.361 120.167 120.500 0.046 0.000 2.307 61 R HA 0.013 4.353 4.340 -0.001 0.000 0.199 61 R C 0.306 176.475 176.300 -0.218 0.000 1.000 61 R CA 0.565 56.616 56.100 -0.082 0.000 1.023 61 R CB 0.058 30.295 30.300 -0.105 0.000 0.908 61 R HN 0.304 nan 8.270 nan 0.000 0.473 62 Y N -0.084 120.322 120.300 0.176 0.000 2.708 62 Y HA 0.205 4.755 4.550 -0.000 0.000 0.287 62 Y C 0.256 176.285 175.900 0.216 0.000 1.145 62 Y CA -0.177 58.055 58.100 0.220 0.000 1.249 62 Y CB 0.628 39.252 38.460 0.274 0.000 1.152 62 Y HN -0.093 nan 8.280 nan 0.000 0.532 63 Q N 1.331 121.237 119.800 0.176 0.000 3.122 63 Q HA 0.325 4.664 4.340 -0.001 0.000 0.282 63 Q C -2.814 173.185 176.000 -0.001 0.000 0.947 63 Q CA -2.321 53.561 55.803 0.133 0.000 0.812 63 Q CB 0.995 29.809 28.738 0.127 0.000 1.333 63 Q HN 0.026 nan 8.270 nan 0.000 0.430 64 P HA -0.084 nan 4.420 nan 0.000 0.266 64 P C -0.203 176.976 177.300 -0.202 0.000 1.195 64 P CA 0.185 63.184 63.100 -0.167 0.000 0.768 64 P CB 1.329 32.899 31.700 -0.216 0.000 0.838 65 V N 0.858 120.618 119.914 -0.256 0.000 3.484 65 V HA 0.117 4.237 4.120 -0.001 0.000 0.252 65 V C 0.776 176.778 176.094 -0.153 0.000 1.282 65 V CA 1.402 63.580 62.300 -0.203 0.000 1.104 65 V CB 0.468 32.020 31.823 -0.451 0.000 0.868 65 V HN 0.823 nan 8.190 nan 0.000 0.457 66 S N -2.151 113.339 115.700 -0.349 0.000 2.694 66 S HA 0.421 4.891 4.470 -0.001 0.000 0.273 66 S C -0.970 173.215 174.600 -0.692 0.000 1.180 66 S CA -0.376 57.539 58.200 -0.475 0.000 0.864 66 S CB 0.818 63.899 63.200 -0.198 0.000 1.198 66 S HN -0.065 nan 8.310 nan 0.000 0.499 67 Y N 1.055 121.209 120.300 -0.243 0.000 2.681 67 Y HA 0.462 5.012 4.550 -0.001 0.000 0.267 67 Y C 0.458 176.272 175.900 -0.143 0.000 1.166 67 Y CA -0.820 57.048 58.100 -0.386 0.000 1.209 67 Y CB -0.001 38.166 38.460 -0.489 0.000 1.161 67 Y HN 0.374 nan 8.280 nan 0.000 0.534 68 K N 0.924 121.327 120.400 0.006 0.000 2.350 68 K HA 0.177 4.497 4.320 -0.001 0.000 0.279 68 K C -0.523 176.124 176.600 0.079 0.000 1.027 68 K CA -0.550 55.770 56.287 0.056 0.000 0.969 68 K CB 0.857 33.376 32.500 0.030 0.000 0.954 68 K HN -0.059 nan 8.250 nan 0.000 0.474 69 L N 3.751 125.041 121.223 0.112 0.000 2.382 69 L HA 0.066 4.405 4.340 -0.001 0.000 0.259 69 L C -0.299 176.660 176.870 0.149 0.000 1.291 69 L CA 0.131 55.022 54.840 0.086 0.000 1.176 69 L CB -0.582 41.469 42.059 -0.013 0.000 1.373 69 L HN 0.632 nan 8.230 nan 0.000 0.426 70 c N 2.334 121.013 118.600 0.131 0.000 2.781 70 c HA 0.733 5.303 4.570 -0.001 0.000 0.348 70 c C 0.278 174.413 174.090 0.075 0.000 1.051 70 c CA 0.048 56.449 56.329 0.119 0.000 1.347 70 c CB 0.170 42.729 42.510 0.082 0.000 1.846 70 c HN 0.888 nan 8.230 nan 0.000 0.473 71 T N 1.903 116.500 114.554 0.072 0.000 2.696 71 T HA 0.494 4.844 4.350 -0.001 0.000 0.291 71 T C 0.929 175.569 174.700 -0.099 0.000 1.095 71 T CA -0.682 61.407 62.100 -0.018 0.000 1.026 71 T CB 1.052 69.916 68.868 -0.006 0.000 1.390 71 T HN 0.532 nan 8.240 nan 0.000 0.513 72 R N 0.124 120.535 120.500 -0.148 0.000 2.241 72 R HA 0.015 4.355 4.340 -0.001 0.000 0.224 72 R C 1.996 178.129 176.300 -0.277 0.000 1.101 72 R CA 1.017 57.012 56.100 -0.176 0.000 0.995 72 R CB -0.413 29.782 30.300 -0.175 0.000 0.870 72 R HN 0.548 nan 8.270 nan 0.000 0.463 73 S N -0.564 114.854 115.700 -0.469 0.000 2.496 73 S HA 0.133 4.602 4.470 -0.001 0.000 0.224 73 S C 0.705 174.736 174.600 -0.948 0.000 0.996 73 S CA 0.662 58.319 58.200 -0.905 0.000 0.927 73 S CB 0.719 62.853 63.200 -1.777 0.000 0.774 73 S HN 0.644 nan 8.310 nan 0.000 0.524 74 G N 1.405 109.919 108.800 -0.476 0.000 2.359 74 G HA2 0.123 4.083 3.960 -0.001 0.000 0.314 74 G HA3 0.123 4.083 3.960 -0.001 0.000 0.314 74 G C -1.124 173.932 174.900 0.260 0.000 1.364 74 G CA -0.676 44.386 45.100 -0.062 0.000 0.978 74 G HN 0.342 nan 8.290 nan 0.000 0.615 75 N N -0.695 118.182 118.700 0.296 0.000 2.495 75 N HA 0.425 5.165 4.740 -0.001 0.000 0.294 75 N C 1.174 176.895 175.510 0.352 0.000 1.276 75 N CA 0.200 53.415 53.050 0.275 0.000 0.973 75 N CB 0.739 39.332 38.487 0.176 0.000 1.143 75 N HN 0.783 nan 8.380 nan 0.000 0.589 76 E N -1.004 119.346 120.200 0.249 0.000 2.110 76 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 76 E C 0.438 177.182 176.600 0.240 0.000 0.988 76 E CA 1.300 57.845 56.400 0.241 0.000 0.804 76 E CB -0.121 29.698 29.700 0.199 0.000 0.745 76 E HN 0.527 nan 8.360 nan 0.000 0.458 77 D N 0.697 121.215 120.400 0.196 0.000 2.097 77 D HA -0.167 4.473 4.640 -0.001 0.000 0.195 77 D C 1.765 178.162 176.300 0.162 0.000 0.989 77 D CA 1.217 55.312 54.000 0.157 0.000 0.827 77 D CB -0.212 40.663 40.800 0.126 0.000 0.966 77 D HN 0.394 nan 8.370 nan 0.000 0.456 78 E N -0.046 120.286 120.200 0.221 0.000 2.110 78 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 78 E C 1.941 178.662 176.600 0.202 0.000 0.988 78 E CA 0.429 56.976 56.400 0.246 0.000 0.804 78 E CB -0.225 29.686 29.700 0.353 0.000 0.745 78 E HN 0.229 nan 8.360 nan 0.000 0.458 79 F N 1.940 121.904 119.950 0.024 0.000 2.102 79 F HA -0.128 4.399 4.527 -0.001 0.000 0.298 79 F C 2.261 177.911 175.800 -0.250 0.000 1.105 79 F CA 1.442 59.209 58.000 -0.388 0.000 1.239 79 F CB 0.101 38.812 39.000 -0.481 0.000 0.991 79 F HN -0.209 nan 8.300 nan 0.000 0.474 80 R N 0.172 120.665 120.500 -0.012 0.000 2.081 80 R HA -0.212 4.128 4.340 -0.001 0.000 0.235 80 R C 2.248 178.475 176.300 -0.122 0.000 1.131 80 R CA 1.515 57.578 56.100 -0.063 0.000 0.960 80 R CB -1.090 29.252 30.300 0.070 0.000 0.856 80 R HN 0.479 nan 8.270 nan 0.000 0.436 81 N N 0.912 119.578 118.700 -0.057 0.000 2.069 81 N HA -0.216 4.524 4.740 -0.001 0.000 0.191 81 N C 1.990 177.430 175.510 -0.118 0.000 1.031 81 N CA 1.374 54.399 53.050 -0.041 0.000 0.852 81 N CB -0.012 38.484 38.487 0.015 0.000 1.018 81 N HN 0.179 nan 8.380 nan 0.000 0.423 82 M N 0.979 120.466 119.600 -0.188 0.000 2.065 82 M HA -0.163 4.317 4.480 -0.001 0.000 0.259 82 M C 1.959 178.036 176.300 -0.371 0.000 1.069 82 M CA 1.584 56.735 55.300 -0.249 0.000 1.110 82 M CB -0.152 32.270 32.600 -0.297 0.000 1.328 82 M HN 0.001 nan 8.290 nan 0.000 0.405 83 V N 0.506 120.086 119.914 -0.556 0.000 2.392 83 V HA -0.259 3.860 4.120 -0.001 0.000 0.249 83 V C 2.314 178.104 176.094 -0.507 0.000 1.059 83 V CA 2.295 64.247 62.300 -0.581 0.000 1.051 83 V CB -1.406 30.034 31.823 -0.638 0.000 0.658 83 V HN 0.603 nan 8.190 nan 0.000 0.455 84 T N -0.151 114.215 114.554 -0.313 0.000 2.643 84 T HA -0.184 4.166 4.350 -0.001 0.000 0.264 84 T C 2.083 176.689 174.700 -0.157 0.000 1.045 84 T CA 1.707 63.713 62.100 -0.156 0.000 1.155 84 T CB -0.250 68.668 68.868 0.083 0.000 0.863 84 T HN 0.410 nan 8.240 nan 0.000 0.420 85 R N 0.226 120.658 120.500 -0.113 0.000 2.094 85 R HA -0.111 4.229 4.340 -0.001 0.000 0.239 85 R C 2.839 179.055 176.300 -0.139 0.000 1.137 85 R CA 1.686 57.736 56.100 -0.084 0.000 0.943 85 R CB -1.047 29.218 30.300 -0.057 0.000 0.850 85 R HN 0.387 nan 8.270 nan 0.000 0.433 86 c N 0.678 119.154 118.600 -0.206 0.000 2.413 86 c HA -0.075 4.495 4.570 -0.001 0.000 0.276 86 c C 2.380 176.294 174.090 -0.294 0.000 1.236 86 c CA 0.580 56.776 56.329 -0.221 0.000 1.735 86 c CB -1.103 41.256 42.510 -0.252 0.000 2.031 86 c HN 0.513 nan 8.230 nan 0.000 0.474 87 N N 1.430 119.834 118.700 -0.493 0.000 2.120 87 N HA -0.098 4.642 4.740 -0.001 0.000 0.188 87 N C 1.336 176.604 175.510 -0.404 0.000 1.024 87 N CA 1.110 53.739 53.050 -0.702 0.000 0.852 87 N CB -0.703 36.803 38.487 -1.636 0.000 1.003 87 N HN 0.509 nan 8.380 nan 0.000 0.424 88 N N 0.509 119.093 118.700 -0.193 0.000 2.430 88 N HA -0.099 4.641 4.740 -0.001 0.000 0.186 88 N C 1.242 176.738 175.510 -0.023 0.000 1.032 88 N CA 0.634 53.695 53.050 0.018 0.000 0.893 88 N CB 0.068 38.602 38.487 0.078 0.000 0.957 88 N HN 0.283 nan 8.380 nan 0.000 0.442 89 V N -4.605 115.265 119.914 -0.072 0.000 3.214 89 V HA 0.560 4.680 4.120 -0.001 0.000 0.330 89 V C 1.082 177.140 176.094 -0.060 0.000 1.403 89 V CA 0.095 62.367 62.300 -0.047 0.000 1.143 89 V CB 0.019 31.823 31.823 -0.032 0.000 1.098 89 V HN 0.152 nan 8.190 nan 0.000 0.463 90 G N 0.341 109.081 108.800 -0.100 0.000 2.143 90 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.248 90 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.248 90 G C -0.010 174.838 174.900 -0.085 0.000 0.991 90 G CA 0.201 45.241 45.100 -0.099 0.000 0.689 90 G HN 0.981 nan 8.290 nan 0.000 0.522 91 V N 2.209 122.057 119.914 -0.110 0.000 2.357 91 V HA 0.549 4.669 4.120 -0.001 0.000 0.284 91 V C 0.637 176.646 176.094 -0.143 0.000 1.018 91 V CA -1.290 60.968 62.300 -0.070 0.000 0.841 91 V CB 1.387 33.181 31.823 -0.047 0.000 0.991 91 V HN 0.331 nan 8.190 nan 0.000 0.437 92 R N 4.103 124.546 120.500 -0.096 0.000 2.615 92 R HA 0.515 4.854 4.340 -0.001 0.000 0.270 92 R C -0.549 175.541 176.300 -0.350 0.000 1.081 92 R CA -0.607 55.349 56.100 -0.240 0.000 1.154 92 R CB 0.855 31.014 30.300 -0.235 0.000 1.063 92 R HN 0.415 nan 8.270 nan 0.000 0.519 93 I N 2.410 122.640 120.570 -0.566 0.000 2.433 93 I HA 0.299 4.468 4.170 -0.001 0.000 0.292 93 I C -0.713 174.970 176.117 -0.723 0.000 1.001 93 I CA -0.918 60.090 61.300 -0.486 0.000 1.119 93 I CB 1.257 38.991 38.000 -0.443 0.000 1.289 93 I HN 0.427 nan 8.210 nan 0.000 0.438 94 Y N 4.568 124.827 120.300 -0.067 0.000 2.331 94 Y HA 0.452 5.002 4.550 -0.001 0.000 0.334 94 Y C 0.164 176.028 175.900 -0.060 0.000 0.960 94 Y CA -0.911 57.147 58.100 -0.070 0.000 1.130 94 Y CB 1.932 40.479 38.460 0.145 0.000 1.164 94 Y HN 0.169 nan 8.280 nan 0.000 0.458 95 V N 3.114 122.992 119.914 -0.060 0.000 2.546 95 V HA 0.078 4.197 4.120 -0.001 0.000 0.284 95 V C -0.030 176.164 176.094 0.167 0.000 1.050 95 V CA -0.643 61.703 62.300 0.077 0.000 0.981 95 V CB 1.286 33.161 31.823 0.086 0.000 0.990 95 V HN 0.668 nan 8.190 nan 0.000 0.474 96 D N 4.251 124.753 120.400 0.170 0.000 2.344 96 D HA 0.302 4.941 4.640 -0.001 0.000 0.253 96 D C 0.101 176.511 176.300 0.183 0.000 1.255 96 D CA -0.065 54.023 54.000 0.146 0.000 0.894 96 D CB 1.194 42.093 40.800 0.165 0.000 1.067 96 D HN 0.682 nan 8.370 nan 0.000 0.492 97 A N 4.312 127.232 122.820 0.167 0.000 2.316 97 A HA 0.363 4.683 4.320 -0.001 0.000 0.311 97 A C -0.037 177.617 177.584 0.116 0.000 1.339 97 A CA -0.659 51.472 52.037 0.156 0.000 0.960 97 A CB 0.518 19.535 19.000 0.028 0.000 1.152 97 A HN 0.381 nan 8.150 nan 0.000 0.547 98 V N 5.683 125.669 119.914 0.120 0.000 2.258 98 V HA 0.123 4.243 4.120 -0.001 0.000 0.258 98 V C 0.957 177.020 176.094 -0.052 0.000 1.121 98 V CA 0.308 62.627 62.300 0.032 0.000 0.942 98 V CB -0.558 31.269 31.823 0.006 0.000 1.170 98 V HN 0.880 nan 8.190 nan 0.000 0.487 99 I N 0.496 121.032 120.570 -0.057 0.000 4.139 99 I HA 0.292 4.461 4.170 -0.001 0.000 0.335 99 I C 1.622 177.691 176.117 -0.081 0.000 1.327 99 I CA 0.303 61.574 61.300 -0.048 0.000 1.112 99 I CB 0.061 38.041 38.000 -0.033 0.000 1.058 99 I HN 0.476 nan 8.210 nan 0.000 0.396 100 N N 1.612 120.249 118.700 -0.106 0.000 2.396 100 N HA -0.101 4.639 4.740 -0.001 0.000 0.180 100 N C 0.518 176.057 175.510 0.049 0.000 1.028 100 N CA 1.025 54.091 53.050 0.028 0.000 0.893 100 N CB 0.135 38.751 38.487 0.215 0.000 0.967 100 N HN 0.701 nan 8.380 nan 0.000 0.440 101 H N -4.038 115.046 119.070 0.024 0.000 2.918 101 H HA 0.278 4.834 4.556 -0.000 0.000 0.303 101 H C -0.594 174.717 175.328 -0.028 0.000 1.380 101 H CA -0.891 55.160 56.048 0.006 0.000 1.134 101 H CB 0.375 30.140 29.762 0.005 0.000 1.842 101 H HN -0.193 nan 8.280 nan 0.000 0.533 102 M N 0.670 120.330 119.600 0.100 0.000 2.357 102 M HA 0.334 4.814 4.480 -0.001 0.000 0.232 102 M C 1.042 177.407 176.300 0.109 0.000 0.819 102 M CA -0.312 54.940 55.300 -0.081 0.000 1.630 102 M CB 0.251 32.549 32.600 -0.503 0.000 1.242 102 M HN 0.878 nan 8.290 nan 0.000 0.838 103 C N -0.010 119.359 119.300 0.114 0.000 2.574 103 C HA 0.787 5.246 4.460 -0.001 0.000 0.335 103 C C 0.997 176.052 174.990 0.107 0.000 1.493 103 C CA -0.844 58.261 59.018 0.145 0.000 2.217 103 C CB -0.692 27.143 27.740 0.159 0.000 2.056 103 C HN 0.823 nan 8.230 nan 0.000 0.607 104 G N 1.283 110.124 108.800 0.069 0.000 2.491 104 G HA2 0.241 4.201 3.960 -0.001 0.000 0.242 104 G HA3 0.241 4.201 3.960 -0.001 0.000 0.242 104 G C 0.866 175.779 174.900 0.022 0.000 1.266 104 G CA 0.161 45.266 45.100 0.008 0.000 0.844 104 G HN 1.023 nan 8.290 nan 0.000 0.571 105 N N 1.197 119.881 118.700 -0.027 0.000 2.331 105 N HA -0.094 4.646 4.740 -0.001 0.000 0.180 105 N C 1.808 177.296 175.510 -0.037 0.000 1.019 105 N CA 1.050 54.075 53.050 -0.042 0.000 0.881 105 N CB -0.096 38.347 38.487 -0.074 0.000 0.972 105 N HN 0.423 nan 8.380 nan 0.000 0.435 106 A N 0.892 123.694 122.820 -0.030 0.000 2.238 106 A HA 0.229 4.549 4.320 -0.001 0.000 0.208 106 A C 0.795 178.373 177.584 -0.011 0.000 1.177 106 A CA -0.227 51.793 52.037 -0.028 0.000 0.804 106 A CB -0.172 18.810 19.000 -0.031 0.000 0.823 106 A HN 0.114 nan 8.150 nan 0.000 0.482 107 V N 1.629 121.554 119.914 0.018 0.000 2.585 107 V HA 0.073 4.192 4.120 -0.001 0.000 0.296 107 V C 0.785 176.867 176.094 -0.019 0.000 1.035 107 V CA -0.111 62.220 62.300 0.053 0.000 1.084 107 V CB 0.966 32.888 31.823 0.166 0.000 0.953 107 V HN 0.409 nan 8.190 nan 0.000 0.483 108 S N 3.591 119.264 115.700 -0.045 0.000 2.560 108 S HA 0.429 4.898 4.470 -0.001 0.000 0.284 108 S C 0.524 174.935 174.600 -0.315 0.000 1.327 108 S CA -0.121 58.000 58.200 -0.131 0.000 1.055 108 S CB 0.906 64.052 63.200 -0.089 0.000 0.868 108 S HN 1.059 nan 8.310 nan 0.000 0.506 109 A N 2.130 124.729 122.820 -0.368 0.000 2.313 109 A HA 0.787 5.107 4.320 -0.001 0.000 0.261 109 A C 0.972 178.202 177.584 -0.590 0.000 1.090 109 A CA 0.353 52.015 52.037 -0.625 0.000 0.807 109 A CB -0.208 18.550 19.000 -0.403 0.000 1.055 109 A HN 1.382 nan 8.150 nan 0.000 0.492 110 G N -1.165 107.147 108.800 -0.814 0.000 2.288 110 G HA2 0.377 4.336 3.960 -0.001 0.000 0.227 110 G HA3 0.377 4.336 3.960 -0.001 0.000 0.227 110 G C 0.045 174.738 174.900 -0.346 0.000 1.339 110 G CA 0.650 45.539 45.100 -0.352 0.000 1.057 110 G HN 1.834 nan 8.290 nan 0.000 0.470 111 T N -2.400 112.139 114.554 -0.024 0.000 3.355 111 T HA 0.552 4.901 4.350 -0.001 0.000 0.276 111 T C 0.593 175.434 174.700 0.235 0.000 1.003 111 T CA 0.957 63.154 62.100 0.163 0.000 0.943 111 T CB 0.702 69.677 68.868 0.179 0.000 1.158 111 T HN 1.144 nan 8.240 nan 0.000 0.513 112 S N 2.801 118.675 115.700 0.291 0.000 4.087 112 S HA 0.478 4.947 4.470 -0.001 0.000 0.213 112 S C 0.290 175.104 174.600 0.358 0.000 1.415 112 S CA -0.563 57.825 58.200 0.313 0.000 0.893 112 S CB -0.900 62.467 63.200 0.277 0.000 1.529 112 S HN 0.775 nan 8.310 nan 0.000 0.457 113 S N 1.051 116.891 115.700 0.234 0.000 2.634 113 S HA 0.405 4.874 4.470 -0.001 0.000 0.296 113 S C 1.125 175.741 174.600 0.026 0.000 1.104 113 S CA -0.416 57.812 58.200 0.047 0.000 0.920 113 S CB 1.061 64.258 63.200 -0.004 0.000 1.111 113 S HN 0.460 nan 8.310 nan 0.000 0.493 114 T N -3.215 111.318 114.554 -0.036 0.000 3.098 114 T HA -0.045 4.304 4.350 -0.001 0.000 0.266 114 T C 0.966 175.671 174.700 0.009 0.000 1.145 114 T CA 0.794 62.879 62.100 -0.025 0.000 1.092 114 T CB -0.644 68.192 68.868 -0.055 0.000 0.908 114 T HN 0.633 nan 8.240 nan 0.000 0.526 115 c N 0.578 119.191 118.600 0.021 0.000 3.512 115 c HA 0.672 5.242 4.570 -0.001 0.000 0.276 115 c C 1.995 176.122 174.090 0.063 0.000 1.592 115 c CA -0.164 56.190 56.329 0.041 0.000 1.803 115 c CB -0.832 41.699 42.510 0.034 0.000 2.996 115 c HN 0.868 nan 8.230 nan 0.000 0.590 116 G N 1.550 110.400 108.800 0.083 0.000 2.184 116 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.264 116 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.264 116 G C 0.280 175.266 174.900 0.143 0.000 0.975 116 G CA 0.634 45.801 45.100 0.111 0.000 0.642 116 G HN 0.601 nan 8.290 nan 0.000 0.536 117 S N -0.213 115.566 115.700 0.132 0.000 2.558 117 S HA 0.369 4.838 4.470 -0.001 0.000 0.288 117 S C -0.004 174.765 174.600 0.282 0.000 1.318 117 S CA -0.131 58.168 58.200 0.166 0.000 1.056 117 S CB 0.691 63.950 63.200 0.100 0.000 0.853 117 S HN 0.609 nan 8.310 nan 0.000 0.505 118 Y N 4.410 124.807 120.300 0.162 0.000 2.304 118 Y HA 0.546 5.096 4.550 -0.001 0.000 0.328 118 Y C -0.554 175.474 175.900 0.214 0.000 1.123 118 Y CA -1.016 57.172 58.100 0.147 0.000 1.218 118 Y CB 0.328 38.809 38.460 0.035 0.000 1.207 118 Y HN 0.555 nan 8.280 nan 0.000 0.495 119 F N 3.574 122.910 119.950 -1.022 0.000 2.631 119 F HA 0.495 5.021 4.527 -0.001 0.000 0.308 119 F C -1.753 173.389 175.800 -1.097 0.000 1.097 119 F CA -1.566 55.879 58.000 -0.926 0.000 0.952 119 F CB 1.471 40.122 39.000 -0.581 0.000 1.307 119 F HN 0.442 nan 8.300 nan 0.000 0.450 120 N N 2.866 121.045 118.700 -0.868 0.000 2.640 120 N HA 0.371 5.111 4.740 -0.001 0.000 0.262 120 N C -2.614 172.605 175.510 -0.484 0.000 1.174 120 N CA -1.884 50.788 53.050 -0.630 0.000 0.791 120 N CB 2.059 40.342 38.487 -0.340 0.000 1.279 120 N HN 0.279 nan 8.380 nan 0.000 0.535 121 P HA -0.026 nan 4.420 nan 0.000 0.215 121 P C 1.388 178.591 177.300 -0.161 0.000 1.157 121 P CA 1.277 64.263 63.100 -0.189 0.000 0.868 121 P CB 0.173 31.854 31.700 -0.032 0.000 0.788 122 G N -0.046 108.665 108.800 -0.149 0.000 2.505 122 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.220 122 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.220 122 G C 1.463 176.297 174.900 -0.109 0.000 1.145 122 G CA 1.553 46.584 45.100 -0.116 0.000 0.761 122 G HN 0.456 nan 8.290 nan 0.000 0.571 123 S N -1.337 114.296 115.700 -0.112 0.000 2.577 123 S HA 0.347 4.816 4.470 -0.001 0.000 0.219 123 S C 1.033 175.601 174.600 -0.054 0.000 0.962 123 S CA 0.162 58.317 58.200 -0.075 0.000 0.921 123 S CB 0.393 63.566 63.200 -0.044 0.000 0.789 123 S HN 0.226 nan 8.310 nan 0.000 0.497 124 R N 0.641 121.087 120.500 -0.090 0.000 3.531 124 R HA -0.130 4.210 4.340 -0.001 0.000 0.280 124 R C -1.729 174.708 176.300 0.229 0.000 1.130 124 R CA 0.798 56.902 56.100 0.007 0.000 0.757 124 R CB -2.836 27.477 30.300 0.020 0.000 1.218 124 R HN 0.597 nan 8.270 nan 0.000 0.454 125 D N -0.363 120.020 120.400 -0.029 0.000 2.349 125 D HA 0.386 5.026 4.640 -0.001 0.000 0.232 125 D C -0.546 175.640 176.300 -0.189 0.000 1.071 125 D CA -0.091 53.939 54.000 0.050 0.000 0.832 125 D CB 0.458 41.291 40.800 0.056 0.000 1.086 125 D HN 0.032 nan 8.370 nan 0.000 0.504 126 F N 3.601 123.710 119.950 0.265 0.000 2.660 126 F HA 0.265 4.792 4.527 -0.001 0.000 0.352 126 F C -1.525 174.378 175.800 0.172 0.000 1.257 126 F CA -1.763 56.370 58.000 0.222 0.000 1.200 126 F CB 1.531 40.696 39.000 0.274 0.000 1.473 126 F HN 0.258 nan 8.300 nan 0.000 0.561 127 P HA -0.207 nan 4.420 nan 0.000 0.221 127 P C 1.314 178.701 177.300 0.145 0.000 1.145 127 P CA 1.300 64.523 63.100 0.205 0.000 0.795 127 P CB 0.355 32.179 31.700 0.207 0.000 0.775 128 A N -0.482 122.420 122.820 0.136 0.000 2.119 128 A HA 0.017 4.336 4.320 -0.001 0.000 0.217 128 A C 2.282 179.864 177.584 -0.004 0.000 1.153 128 A CA 0.919 52.996 52.037 0.066 0.000 0.692 128 A CB -1.101 17.932 19.000 0.055 0.000 0.799 128 A HN 0.092 nan 8.150 nan 0.000 0.458 129 V N 0.471 120.354 119.914 -0.052 0.000 2.283 129 V HA 0.033 4.152 4.120 -0.001 0.000 0.239 129 V C -1.404 174.625 176.094 -0.109 0.000 1.035 129 V CA 1.356 63.537 62.300 -0.198 0.000 1.018 129 V CB -0.884 30.564 31.823 -0.624 0.000 0.658 129 V HN 0.488 nan 8.190 nan 0.000 0.459 130 P HA 0.427 nan 4.420 nan 0.000 0.289 130 P C -2.004 175.360 177.300 0.107 0.000 1.293 130 P CA -0.294 62.836 63.100 0.050 0.000 0.897 130 P CB 1.930 33.714 31.700 0.140 0.000 1.166 131 Y N -0.482 120.013 120.300 0.326 0.000 2.545 131 Y HA 0.535 5.084 4.550 -0.000 0.000 0.348 131 Y C 0.883 177.032 175.900 0.414 0.000 1.002 131 Y CA -0.354 57.944 58.100 0.330 0.000 1.039 131 Y CB 2.333 40.926 38.460 0.222 0.000 1.271 131 Y HN 0.525 nan 8.280 nan 0.000 0.467 132 S N -1.127 114.912 115.700 0.566 0.000 2.840 132 S HA 0.570 5.039 4.470 -0.001 0.000 0.307 132 S C 0.991 175.871 174.600 0.466 0.000 1.180 132 S CA -0.331 58.155 58.200 0.477 0.000 0.846 132 S CB 1.114 64.545 63.200 0.385 0.000 1.233 132 S HN 0.854 nan 8.310 nan 0.000 0.548 133 G N -0.155 108.776 108.800 0.218 0.000 2.475 133 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.220 133 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.220 133 G C 0.717 175.612 174.900 -0.009 0.000 1.125 133 G CA 0.718 45.854 45.100 0.059 0.000 0.755 133 G HN 0.767 nan 8.290 nan 0.000 0.565 134 W N 0.866 122.267 121.300 0.168 0.000 2.611 134 W HA 0.164 4.824 4.660 -0.000 0.000 0.251 134 W C 1.196 177.738 176.519 0.038 0.000 1.265 134 W CA 0.354 57.752 57.345 0.088 0.000 1.295 134 W CB 0.302 29.787 29.460 0.041 0.000 1.129 134 W HN 0.115 nan 8.180 nan 0.000 0.630 135 D N -1.034 119.446 120.400 0.134 0.000 2.340 135 D HA 0.091 4.731 4.640 -0.001 0.000 0.217 135 D C -0.271 175.670 176.300 -0.599 0.000 1.081 135 D CA 0.401 54.273 54.000 -0.214 0.000 0.842 135 D CB -0.122 40.482 40.800 -0.327 0.000 0.934 135 D HN 0.041 nan 8.370 nan 0.000 0.511 136 F N 0.315 120.268 119.950 0.005 0.000 2.575 136 F HA 0.320 4.847 4.527 -0.000 0.000 0.330 136 F C 1.393 177.194 175.800 0.002 0.000 1.056 136 F CA -1.087 56.896 58.000 -0.028 0.000 0.964 136 F CB 0.840 39.820 39.000 -0.033 0.000 1.258 136 F HN -0.358 nan 8.300 nan 0.000 0.484 137 N N 1.044 119.863 118.700 0.198 0.000 2.362 137 N HA -0.049 4.690 4.740 -0.001 0.000 0.204 137 N C 0.714 176.283 175.510 0.098 0.000 1.166 137 N CA 0.320 53.446 53.050 0.126 0.000 0.831 137 N CB -0.249 38.306 38.487 0.113 0.000 1.008 137 N HN 0.586 nan 8.380 nan 0.000 0.472 138 D N 0.714 121.174 120.400 0.099 0.000 2.133 138 D HA -0.155 4.485 4.640 -0.001 0.000 0.192 138 D C 1.824 178.141 176.300 0.028 0.000 1.001 138 D CA 1.316 55.340 54.000 0.042 0.000 0.844 138 D CB -0.213 40.594 40.800 0.013 0.000 0.944 138 D HN 0.347 nan 8.370 nan 0.000 0.447 139 G N 0.353 109.173 108.800 0.033 0.000 2.534 139 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.217 139 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.217 139 G C 1.569 176.494 174.900 0.041 0.000 1.128 139 G CA 0.306 45.423 45.100 0.029 0.000 0.784 139 G HN 0.229 nan 8.290 nan 0.000 0.542 140 K N -0.493 119.941 120.400 0.056 0.000 2.166 140 K HA 0.043 4.362 4.320 -0.001 0.000 0.201 140 K C 0.962 177.598 176.600 0.060 0.000 1.052 140 K CA -0.090 56.236 56.287 0.064 0.000 0.969 140 K CB -0.147 32.405 32.500 0.087 0.000 0.761 140 K HN 0.240 nan 8.250 nan 0.000 0.459 141 c N 2.433 121.064 118.600 0.051 0.000 2.648 141 c HA 0.125 4.695 4.570 -0.001 0.000 0.419 141 c C 0.811 174.916 174.090 0.024 0.000 1.352 141 c CA -0.097 56.253 56.329 0.036 0.000 1.816 141 c CB -0.149 42.373 42.510 0.019 0.000 2.598 141 c HN 0.407 nan 8.230 nan 0.000 0.598 142 K N 2.608 123.020 120.400 0.021 0.000 2.358 142 K HA 0.117 4.436 4.320 -0.001 0.000 0.197 142 K C 0.932 177.535 176.600 0.005 0.000 1.025 142 K CA 0.166 56.462 56.287 0.015 0.000 1.104 142 K CB 0.207 32.720 32.500 0.021 0.000 0.855 142 K HN 0.888 nan 8.250 nan 0.000 0.531 143 T N -2.509 112.043 114.554 -0.003 0.000 2.899 143 T HA 0.202 4.551 4.350 -0.001 0.000 0.295 143 T C 1.510 176.204 174.700 -0.010 0.000 1.033 143 T CA -0.354 61.740 62.100 -0.010 0.000 1.084 143 T CB 1.655 70.511 68.868 -0.020 0.000 0.979 143 T HN 0.157 nan 8.240 nan 0.000 0.532 144 G N 0.753 109.547 108.800 -0.010 0.000 2.432 144 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.219 144 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.219 144 G C 1.683 176.573 174.900 -0.016 0.000 1.135 144 G CA 0.800 45.893 45.100 -0.011 0.000 0.767 144 G HN 0.950 nan 8.290 nan 0.000 0.550 145 S N -1.174 114.514 115.700 -0.019 0.000 2.486 145 S HA 0.372 4.841 4.470 -0.001 0.000 0.220 145 S C 1.959 176.541 174.600 -0.031 0.000 1.011 145 S CA 1.021 59.206 58.200 -0.025 0.000 0.921 145 S CB 0.163 63.347 63.200 -0.027 0.000 0.785 145 S HN 1.498 nan 8.310 nan 0.000 0.517 146 G N 0.894 109.676 108.800 -0.029 0.000 2.217 146 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.246 146 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.246 146 G C -0.342 174.532 174.900 -0.043 0.000 0.990 146 G CA 0.230 45.311 45.100 -0.031 0.000 0.627 146 G HN 0.553 nan 8.290 nan 0.000 0.522 147 D N -0.071 120.299 120.400 -0.050 0.000 2.440 147 D HA 0.579 5.219 4.640 -0.001 0.000 0.258 147 D C 1.010 177.267 176.300 -0.071 0.000 1.092 147 D CA -0.621 53.339 54.000 -0.067 0.000 1.016 147 D CB 0.789 41.549 40.800 -0.067 0.000 1.141 147 D HN 0.240 nan 8.370 nan 0.000 0.552 148 I N 1.157 121.667 120.570 -0.100 0.000 2.533 148 I HA -0.011 4.158 4.170 -0.001 0.000 0.284 148 I C 1.335 177.409 176.117 -0.072 0.000 1.109 148 I CA 0.558 61.777 61.300 -0.136 0.000 1.412 148 I CB 0.493 38.342 38.000 -0.252 0.000 1.396 148 I HN 0.297 nan 8.210 nan 0.000 0.543 149 E N 4.071 124.237 120.200 -0.056 0.000 2.399 149 E HA 0.111 4.460 4.350 -0.001 0.000 0.205 149 E C 0.278 176.897 176.600 0.032 0.000 0.906 149 E CA 0.082 56.480 56.400 -0.003 0.000 0.998 149 E CB 0.597 30.293 29.700 -0.007 0.000 1.002 149 E HN 0.633 nan 8.360 nan 0.000 0.501 150 N N -0.482 118.217 118.700 -0.003 0.000 2.500 150 N HA 0.093 4.833 4.740 -0.001 0.000 0.291 150 N C -0.692 174.826 175.510 0.013 0.000 1.092 150 N CA -0.201 52.878 53.050 0.049 0.000 0.890 150 N CB 0.759 39.263 38.487 0.029 0.000 1.466 150 N HN -0.103 nan 8.380 nan 0.000 0.507 151 Y N 2.204 122.499 120.300 -0.008 0.000 2.632 151 Y HA 0.078 4.628 4.550 -0.001 0.000 0.301 151 Y C 1.365 177.254 175.900 -0.020 0.000 1.172 151 Y CA 0.742 58.833 58.100 -0.016 0.000 1.328 151 Y CB -0.050 38.398 38.460 -0.020 0.000 1.016 151 Y HN 0.638 nan 8.280 nan 0.000 0.529 152 N N -0.444 118.318 118.700 0.104 0.000 2.398 152 N HA -0.075 4.665 4.740 -0.001 0.000 0.188 152 N C -0.282 175.244 175.510 0.027 0.000 1.122 152 N CA 0.094 53.180 53.050 0.059 0.000 0.866 152 N CB 0.230 38.747 38.487 0.049 0.000 0.970 152 N HN 0.096 nan 8.380 nan 0.000 0.462 153 D N 0.273 120.674 120.400 0.001 0.000 2.472 153 D HA 0.292 4.932 4.640 -0.001 0.000 0.234 153 D C 0.696 176.967 176.300 -0.047 0.000 1.088 153 D CA -0.583 53.410 54.000 -0.011 0.000 0.882 153 D CB 0.960 41.753 40.800 -0.012 0.000 1.037 153 D HN 0.067 nan 8.370 nan 0.000 0.520 154 A N 2.911 125.712 122.820 -0.031 0.000 1.948 154 A HA -0.197 4.123 4.320 -0.001 0.000 0.220 154 A C 2.010 179.502 177.584 -0.152 0.000 1.177 154 A CA 1.984 53.964 52.037 -0.095 0.000 0.636 154 A CB -0.602 18.377 19.000 -0.034 0.000 0.815 154 A HN 0.586 nan 8.150 nan 0.000 0.449 155 T N -0.541 114.028 114.554 0.025 0.000 2.674 155 T HA -0.212 4.138 4.350 -0.001 0.000 0.265 155 T C 2.093 176.808 174.700 0.025 0.000 1.039 155 T CA 1.636 63.827 62.100 0.152 0.000 1.150 155 T CB -0.308 68.689 68.868 0.215 0.000 0.864 155 T HN 0.713 nan 8.240 nan 0.000 0.427 156 Q N 0.685 120.472 119.800 -0.021 0.000 2.096 156 Q HA -0.137 4.202 4.340 -0.001 0.000 0.204 156 Q C 2.283 178.202 176.000 -0.136 0.000 0.982 156 Q CA 1.547 57.314 55.803 -0.060 0.000 0.850 156 Q CB -0.330 28.366 28.738 -0.069 0.000 0.901 156 Q HN 0.365 nan 8.270 nan 0.000 0.422 157 V N 0.780 120.563 119.914 -0.218 0.000 2.469 157 V HA -0.252 3.868 4.120 -0.001 0.000 0.251 157 V C 2.257 178.258 176.094 -0.155 0.000 1.064 157 V CA 2.097 64.241 62.300 -0.261 0.000 1.066 157 V CB -0.501 31.113 31.823 -0.349 0.000 0.667 157 V HN 0.271 nan 8.190 nan 0.000 0.461 158 R N -0.001 120.328 120.500 -0.286 0.000 2.090 158 R HA 0.031 4.371 4.340 -0.001 0.000 0.219 158 R C 1.779 178.029 176.300 -0.085 0.000 1.100 158 R CA 1.020 56.910 56.100 -0.351 0.000 0.991 158 R CB -0.369 29.279 30.300 -1.087 0.000 0.893 158 R HN 0.475 nan 8.270 nan 0.000 0.443 159 D N -1.107 119.301 120.400 0.015 0.000 2.354 159 D HA 0.070 4.710 4.640 -0.001 0.000 0.209 159 D C 0.118 176.445 176.300 0.045 0.000 1.015 159 D CA 0.321 54.378 54.000 0.096 0.000 0.867 159 D CB 0.186 41.083 40.800 0.161 0.000 0.933 159 D HN 0.090 nan 8.370 nan 0.000 0.520 160 c N 0.953 119.548 118.600 -0.008 0.000 2.345 160 c HA 0.448 5.018 4.570 -0.001 0.000 0.370 160 c C 0.780 174.834 174.090 -0.061 0.000 1.209 160 c CA -1.022 55.289 56.329 -0.030 0.000 2.133 160 c CB 1.358 43.837 42.510 -0.052 0.000 2.293 160 c HN 0.093 nan 8.230 nan 0.000 0.544 161 R N 1.095 121.553 120.500 -0.071 0.000 2.442 161 R HA 0.264 4.603 4.340 -0.001 0.000 0.291 161 R C -0.619 175.576 176.300 -0.175 0.000 1.069 161 R CA -0.447 55.588 56.100 -0.108 0.000 1.022 161 R CB 0.169 30.413 30.300 -0.094 0.000 0.976 161 R HN 0.471 nan 8.270 nan 0.000 0.443 162 L N 4.523 125.585 121.223 -0.268 0.000 2.342 162 L HA 0.007 4.347 4.340 -0.001 0.000 0.285 162 L C 0.345 177.055 176.870 -0.267 0.000 1.095 162 L CA 0.700 55.331 54.840 -0.349 0.000 0.843 162 L CB 0.300 42.009 42.059 -0.583 0.000 1.201 162 L HN 0.935 nan 8.230 nan 0.000 0.445 163 T N 1.547 115.992 114.554 -0.181 0.000 3.795 163 T HA -0.187 4.163 4.350 -0.001 0.000 0.370 163 T C 1.100 175.700 174.700 -0.167 0.000 0.761 163 T CA 1.148 63.152 62.100 -0.160 0.000 1.923 163 T CB -2.440 66.319 68.868 -0.182 0.000 1.795 163 T HN 2.297 nan 8.240 nan 0.000 0.762 164 G N -0.362 108.353 108.800 -0.143 0.000 2.179 164 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.260 164 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.260 164 G C 0.098 174.924 174.900 -0.123 0.000 0.977 164 G CA 0.041 45.069 45.100 -0.121 0.000 0.641 164 G HN 1.061 nan 8.290 nan 0.000 0.533 165 L N 1.581 122.699 121.223 -0.175 0.000 2.418 165 L HA 0.337 4.676 4.340 -0.001 0.000 0.274 165 L C 1.337 178.162 176.870 -0.075 0.000 1.135 165 L CA -0.635 54.109 54.840 -0.160 0.000 0.870 165 L CB 0.687 42.504 42.059 -0.403 0.000 1.154 165 L HN 0.105 nan 8.230 nan 0.000 0.462 166 L N 3.614 124.819 121.223 -0.030 0.000 2.660 166 L HA -0.091 4.249 4.340 -0.001 0.000 0.272 166 L C 0.255 177.219 176.870 0.157 0.000 1.194 166 L CA 0.266 55.082 54.840 -0.040 0.000 0.945 166 L CB -0.239 41.660 42.059 -0.267 0.000 1.212 166 L HN 0.574 nan 8.230 nan 0.000 0.490 167 D N 3.859 124.362 120.400 0.172 0.000 2.295 167 D HA 0.330 4.970 4.640 -0.001 0.000 0.248 167 D C -0.197 176.248 176.300 0.241 0.000 1.154 167 D CA -0.249 53.864 54.000 0.188 0.000 0.857 167 D CB 0.827 41.685 40.800 0.097 0.000 1.117 167 D HN 0.254 nan 8.370 nan 0.000 0.468 168 L N 2.403 123.673 121.223 0.078 0.000 2.426 168 L HA 0.320 4.660 4.340 -0.001 0.000 0.271 168 L C 0.667 177.478 176.870 -0.099 0.000 1.169 168 L CA -0.728 53.998 54.840 -0.191 0.000 0.836 168 L CB 0.945 42.818 42.059 -0.310 0.000 1.112 168 L HN 0.481 nan 8.230 nan 0.000 0.465 169 A N 4.922 127.645 122.820 -0.160 0.000 2.990 169 A HA 0.287 4.607 4.320 -0.001 0.000 0.282 169 A C 1.041 178.614 177.584 -0.017 0.000 1.688 169 A CA -0.346 51.672 52.037 -0.032 0.000 1.391 169 A CB -0.590 18.404 19.000 -0.011 0.000 1.112 169 A HN 0.823 nan 8.150 nan 0.000 0.588 170 L N 0.834 122.068 121.223 0.020 0.000 2.633 170 L HA -0.107 4.233 4.340 -0.001 0.000 0.235 170 L C 2.398 179.295 176.870 0.046 0.000 1.163 170 L CA 0.990 55.849 54.840 0.031 0.000 0.859 170 L CB -0.238 41.860 42.059 0.065 0.000 0.973 170 L HN 0.858 nan 8.230 nan 0.000 0.451 171 E N 0.733 120.961 120.200 0.048 0.000 2.400 171 E HA -0.039 4.310 4.350 -0.001 0.000 0.195 171 E C 0.319 176.935 176.600 0.025 0.000 1.012 171 E CA -0.004 56.412 56.400 0.026 0.000 0.875 171 E CB 0.184 29.886 29.700 0.004 0.000 0.859 171 E HN 0.358 nan 8.360 nan 0.000 0.498 172 K N 1.705 122.129 120.400 0.041 0.000 2.322 172 K HA 0.015 4.335 4.320 -0.001 0.000 0.283 172 K C 0.189 176.829 176.600 0.066 0.000 1.042 172 K CA 0.168 56.494 56.287 0.066 0.000 0.958 172 K CB 1.073 33.636 32.500 0.105 0.000 0.984 172 K HN -0.059 nan 8.250 nan 0.000 0.473 173 D N 2.036 122.477 120.400 0.067 0.000 2.144 173 D HA -0.235 4.405 4.640 -0.001 0.000 0.199 173 D C 1.479 177.821 176.300 0.071 0.000 0.984 173 D CA 1.352 55.384 54.000 0.052 0.000 0.834 173 D CB 0.052 40.881 40.800 0.048 0.000 0.955 173 D HN 0.622 nan 8.370 nan 0.000 0.465 174 Y N 0.377 120.691 120.300 0.023 0.000 2.128 174 Y HA -0.207 4.342 4.550 -0.001 0.000 0.284 174 Y C 2.081 178.026 175.900 0.076 0.000 1.154 174 Y CA 1.489 59.615 58.100 0.043 0.000 1.149 174 Y CB -0.527 37.965 38.460 0.055 0.000 0.976 174 Y HN -0.075 nan 8.280 nan 0.000 0.505 175 V N 0.808 120.736 119.914 0.023 0.000 2.358 175 V HA -0.295 3.825 4.120 -0.001 0.000 0.246 175 V C 2.411 178.461 176.094 -0.074 0.000 1.047 175 V CA 2.218 64.512 62.300 -0.010 0.000 1.035 175 V CB -0.635 31.187 31.823 -0.002 0.000 0.658 175 V HN 0.338 nan 8.190 nan 0.000 0.452 176 R N 0.055 120.520 120.500 -0.058 0.000 2.105 176 R HA -0.149 4.191 4.340 -0.001 0.000 0.239 176 R C 2.536 178.768 176.300 -0.113 0.000 1.135 176 R CA 1.808 57.867 56.100 -0.069 0.000 0.967 176 R CB -0.448 29.829 30.300 -0.039 0.000 0.861 176 R HN 0.474 nan 8.270 nan 0.000 0.442 177 S N 0.493 116.108 115.700 -0.142 0.000 2.387 177 S HA -0.031 4.438 4.470 -0.001 0.000 0.226 177 S C 1.619 176.088 174.600 -0.219 0.000 1.026 177 S CA 0.840 58.944 58.200 -0.160 0.000 0.972 177 S CB 0.071 63.190 63.200 -0.134 0.000 0.814 177 S HN 0.181 nan 8.310 nan 0.000 0.477 178 K N 1.452 121.664 120.400 -0.313 0.000 2.147 178 K HA 0.111 4.430 4.320 -0.001 0.000 0.205 178 K C 1.821 178.258 176.600 -0.271 0.000 1.049 178 K CA 0.816 56.925 56.287 -0.297 0.000 0.936 178 K CB -0.529 31.753 32.500 -0.363 0.000 0.722 178 K HN 0.419 nan 8.250 nan 0.000 0.446 179 I N 0.656 121.087 120.570 -0.231 0.000 2.333 179 I HA -0.170 3.999 4.170 -0.001 0.000 0.246 179 I C 2.311 178.272 176.117 -0.259 0.000 1.106 179 I CA 0.851 61.977 61.300 -0.289 0.000 1.411 179 I CB -0.299 37.596 38.000 -0.175 0.000 1.082 179 I HN 0.001 nan 8.210 nan 0.000 0.420 180 A N 0.181 122.872 122.820 -0.215 0.000 1.969 180 A HA -0.230 4.090 4.320 -0.001 0.000 0.218 180 A C 2.274 179.729 177.584 -0.216 0.000 1.169 180 A CA 1.542 53.447 52.037 -0.221 0.000 0.635 180 A CB -0.543 18.358 19.000 -0.166 0.000 0.810 180 A HN 0.474 nan 8.150 nan 0.000 0.445 181 E N -1.256 118.838 120.200 -0.177 0.000 2.051 181 E HA -0.256 4.094 4.350 -0.001 0.000 0.192 181 E C 1.843 178.387 176.600 -0.094 0.000 0.991 181 E CA 1.626 57.949 56.400 -0.129 0.000 0.799 181 E CB -0.350 29.281 29.700 -0.114 0.000 0.748 181 E HN 0.702 nan 8.360 nan 0.000 0.449 182 Y N 0.899 121.017 120.300 -0.304 0.000 2.145 182 Y HA -0.195 4.354 4.550 -0.001 0.000 0.286 182 Y C 2.103 177.887 175.900 -0.194 0.000 1.145 182 Y CA 1.981 59.905 58.100 -0.293 0.000 1.148 182 Y CB -0.369 37.681 38.460 -0.683 0.000 0.981 182 Y HN 0.036 nan 8.280 nan 0.000 0.507 183 M N 0.040 119.344 119.600 -0.494 0.000 2.175 183 M HA -0.213 4.267 4.480 -0.001 0.000 0.264 183 M C 1.689 177.826 176.300 -0.271 0.000 1.063 183 M CA 1.529 56.479 55.300 -0.582 0.000 1.119 183 M CB -0.359 31.792 32.600 -0.748 0.000 1.377 183 M HN 0.248 nan 8.290 nan 0.000 0.415 184 N N -0.494 118.039 118.700 -0.278 0.000 2.270 184 N HA -0.157 4.583 4.740 -0.001 0.000 0.181 184 N C 1.578 177.017 175.510 -0.118 0.000 1.016 184 N CA 1.149 54.000 53.050 -0.332 0.000 0.870 184 N CB -0.517 37.556 38.487 -0.689 0.000 0.979 184 N HN 0.430 nan 8.380 nan 0.000 0.431 185 H N 1.230 120.208 119.070 -0.154 0.000 2.353 185 H HA 0.074 4.629 4.556 -0.001 0.000 0.300 185 H C 2.014 177.322 175.328 -0.034 0.000 1.090 185 H CA 1.344 57.357 56.048 -0.060 0.000 1.327 185 H CB -0.354 29.386 29.762 -0.037 0.000 1.383 185 H HN 0.085 nan 8.280 nan 0.000 0.508 186 L N -0.447 120.658 121.223 -0.197 0.000 2.056 186 L HA -0.115 4.224 4.340 -0.001 0.000 0.207 186 L C 2.598 179.422 176.870 -0.078 0.000 1.078 186 L CA 1.180 55.909 54.840 -0.185 0.000 0.749 186 L CB -0.370 41.611 42.059 -0.130 0.000 0.901 186 L HN 0.300 nan 8.230 nan 0.000 0.433 187 I N 0.083 120.647 120.570 -0.009 0.000 2.179 187 I HA -0.299 3.870 4.170 -0.001 0.000 0.242 187 I C 1.961 178.100 176.117 0.036 0.000 1.088 187 I CA 1.304 62.601 61.300 -0.004 0.000 1.357 187 I CB -0.383 37.636 38.000 0.031 0.000 1.051 187 I HN 0.274 nan 8.210 nan 0.000 0.409 188 D N 0.734 121.173 120.400 0.066 0.000 2.264 188 D HA -0.095 4.545 4.640 -0.001 0.000 0.208 188 D C 2.144 178.515 176.300 0.119 0.000 0.966 188 D CA 1.063 55.139 54.000 0.127 0.000 0.864 188 D CB -0.091 40.808 40.800 0.165 0.000 0.933 188 D HN 0.379 nan 8.370 nan 0.000 0.499 189 I N -0.515 120.077 120.570 0.038 0.000 2.439 189 I HA -0.048 4.122 4.170 -0.001 0.000 0.251 189 I C 1.683 177.877 176.117 0.129 0.000 1.139 189 I CA 1.125 62.453 61.300 0.047 0.000 1.438 189 I CB 0.191 38.160 38.000 -0.050 0.000 1.085 189 I HN 0.168 nan 8.210 nan 0.000 0.427 190 G N 0.501 109.357 108.800 0.095 0.000 2.370 190 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.174 190 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.174 190 G C 0.342 175.182 174.900 -0.099 0.000 1.002 190 G CA -0.047 45.113 45.100 0.100 0.000 0.730 190 G HN 0.193 nan 8.290 nan 0.000 0.497 191 V N -0.417 119.378 119.914 -0.199 0.000 2.843 191 V HA 0.698 4.818 4.120 -0.001 0.000 0.305 191 V C 1.286 177.114 176.094 -0.444 0.000 1.065 191 V CA 0.990 63.072 62.300 -0.364 0.000 1.116 191 V CB 1.429 32.999 31.823 -0.422 0.000 0.968 191 V HN 1.336 nan 8.190 nan 0.000 0.487 192 A N 2.926 125.411 122.820 -0.559 0.000 2.220 192 A HA 0.756 5.076 4.320 -0.001 0.000 0.211 192 A C 1.155 178.543 177.584 -0.326 0.000 1.176 192 A CA 0.658 52.373 52.037 -0.537 0.000 0.834 192 A CB -0.447 18.301 19.000 -0.420 0.000 0.868 192 A HN 2.017 nan 8.150 nan 0.000 0.488 193 G N -1.946 106.604 108.800 -0.416 0.000 2.342 193 G HA2 0.496 4.455 3.960 -0.001 0.000 0.297 193 G HA3 0.496 4.455 3.960 -0.001 0.000 0.297 193 G C -1.587 173.011 174.900 -0.502 0.000 1.313 193 G CA -0.691 44.340 45.100 -0.116 0.000 0.830 193 G HN 0.165 nan 8.290 nan 0.000 0.506 194 F N -0.503 119.484 119.950 0.062 0.000 2.613 194 F HA 0.695 5.222 4.527 -0.001 0.000 0.310 194 F C 0.244 175.754 175.800 -0.483 0.000 1.085 194 F CA -0.897 57.030 58.000 -0.122 0.000 0.945 194 F CB 2.539 41.450 39.000 -0.149 0.000 1.298 194 F HN 0.468 nan 8.300 nan 0.000 0.455 195 R N 3.051 123.321 120.500 -0.384 0.000 2.229 195 R HA 0.539 4.878 4.340 -0.001 0.000 0.332 195 R C -1.556 174.577 176.300 -0.278 0.000 0.989 195 R CA -0.417 55.180 56.100 -0.838 0.000 0.842 195 R CB 0.552 30.478 30.300 -0.622 0.000 1.119 195 R HN 0.803 nan 8.270 nan 0.000 0.456 196 L N 4.762 125.847 121.223 -0.231 0.000 2.312 196 L HA 0.158 4.498 4.340 -0.001 0.000 0.287 196 L C 0.096 176.964 176.870 -0.003 0.000 1.091 196 L CA -0.525 54.271 54.840 -0.074 0.000 0.846 196 L CB 0.736 42.760 42.059 -0.058 0.000 1.219 196 L HN 0.656 nan 8.230 nan 0.000 0.439 197 D N 3.627 124.071 120.400 0.072 0.000 2.455 197 D HA 0.225 4.865 4.640 -0.001 0.000 0.241 197 D C 0.913 177.313 176.300 0.166 0.000 1.138 197 D CA 0.654 54.754 54.000 0.166 0.000 0.877 197 D CB 0.888 41.861 40.800 0.288 0.000 1.187 197 D HN 0.720 nan 8.370 nan 0.000 0.451 198 A N 2.938 125.868 122.820 0.185 0.000 2.640 198 A HA -0.239 4.081 4.320 -0.001 0.000 0.300 198 A C 1.754 179.423 177.584 0.141 0.000 1.499 198 A CA 1.143 53.322 52.037 0.236 0.000 0.759 198 A CB -2.039 17.187 19.000 0.376 0.000 1.048 198 A HN 0.451 nan 8.150 nan 0.000 0.450 199 S N -0.720 114.984 115.700 0.008 0.000 2.474 199 S HA -0.119 4.351 4.470 -0.001 0.000 0.235 199 S C 1.792 176.287 174.600 -0.175 0.000 0.997 199 S CA 1.320 59.480 58.200 -0.067 0.000 0.949 199 S CB -0.090 63.012 63.200 -0.163 0.000 0.766 199 S HN 0.850 nan 8.310 nan 0.000 0.517 200 K N 0.931 121.159 120.400 -0.287 0.000 2.211 200 K HA -0.111 4.209 4.320 -0.001 0.000 0.203 200 K C 0.954 177.315 176.600 -0.399 0.000 1.050 200 K CA 1.075 57.133 56.287 -0.382 0.000 0.945 200 K CB -0.098 32.116 32.500 -0.477 0.000 0.732 200 K HN 0.457 nan 8.250 nan 0.000 0.451 201 H N -0.332 118.707 119.070 -0.051 0.000 2.536 201 H HA 0.182 4.738 4.556 -0.001 0.000 0.276 201 H C 0.040 175.300 175.328 -0.113 0.000 1.019 201 H CA 0.305 56.294 56.048 -0.099 0.000 1.159 201 H CB 0.035 29.770 29.762 -0.045 0.000 1.373 201 H HN 0.175 nan 8.280 nan 0.000 0.584 202 M N -0.224 119.374 119.600 -0.003 0.000 2.535 202 M HA 0.197 4.676 4.480 -0.001 0.000 0.314 202 M C -0.960 175.338 176.300 -0.002 0.000 1.153 202 M CA -0.839 54.478 55.300 0.027 0.000 0.924 202 M CB 2.337 35.011 32.600 0.123 0.000 1.710 202 M HN 0.003 nan 8.290 nan 0.000 0.451 203 W N 2.327 123.667 121.300 0.068 0.000 2.216 203 W HA 0.233 4.893 4.660 -0.001 0.000 0.326 203 W C -1.766 174.725 176.519 -0.047 0.000 1.319 203 W CA -0.934 56.411 57.345 -0.001 0.000 1.213 203 W CB -0.167 29.282 29.460 -0.019 0.000 1.171 203 W HN 0.493 nan 8.180 nan 0.000 0.557 204 P HA -0.236 nan 4.420 nan 0.000 0.216 204 P C 1.745 179.056 177.300 0.018 0.000 1.157 204 P CA 2.716 65.719 63.100 -0.162 0.000 0.880 204 P CB 0.027 31.503 31.700 -0.373 0.000 0.791 205 G N -0.566 108.272 108.800 0.063 0.000 2.422 205 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.218 205 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.218 205 G C 1.244 176.178 174.900 0.056 0.000 1.146 205 G CA 0.918 46.042 45.100 0.040 0.000 0.769 205 G HN 0.197 nan 8.290 nan 0.000 0.547 206 D N 0.518 120.989 120.400 0.118 0.000 2.149 206 D HA -0.028 4.611 4.640 -0.001 0.000 0.201 206 D C 2.578 178.919 176.300 0.067 0.000 0.972 206 D CA 0.317 54.374 54.000 0.096 0.000 0.835 206 D CB -0.090 40.805 40.800 0.159 0.000 0.966 206 D HN 0.362 nan 8.370 nan 0.000 0.476 207 I N 0.808 121.430 120.570 0.086 0.000 2.179 207 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 207 I C 2.388 178.521 176.117 0.027 0.000 1.088 207 I CA 1.053 62.389 61.300 0.060 0.000 1.357 207 I CB -0.146 37.920 38.000 0.110 0.000 1.051 207 I HN -0.068 nan 8.210 nan 0.000 0.409 208 K N 1.612 122.031 120.400 0.033 0.000 2.063 208 K HA -0.178 4.141 4.320 -0.001 0.000 0.208 208 K C 2.082 178.682 176.600 0.001 0.000 1.048 208 K CA 1.672 57.969 56.287 0.016 0.000 0.928 208 K CB -0.247 32.264 32.500 0.019 0.000 0.713 208 K HN 0.287 nan 8.250 nan 0.000 0.442 209 A N 0.645 123.467 122.820 0.003 0.000 1.972 209 A HA -0.102 4.218 4.320 -0.001 0.000 0.219 209 A C 2.143 179.714 177.584 -0.022 0.000 1.169 209 A CA 1.628 53.661 52.037 -0.007 0.000 0.635 209 A CB -0.574 18.425 19.000 -0.003 0.000 0.810 209 A HN 0.387 nan 8.150 nan 0.000 0.446 210 I N -0.576 119.976 120.570 -0.031 0.000 2.333 210 I HA -0.171 3.999 4.170 -0.001 0.000 0.246 210 I C 2.144 178.213 176.117 -0.079 0.000 1.106 210 I CA 0.781 62.043 61.300 -0.063 0.000 1.411 210 I CB -0.261 37.692 38.000 -0.079 0.000 1.082 210 I HN 0.258 nan 8.210 nan 0.000 0.420 211 L N 0.350 121.535 121.223 -0.063 0.000 2.191 211 L HA -0.200 4.139 4.340 -0.001 0.000 0.212 211 L C 1.805 178.650 176.870 -0.041 0.000 1.103 211 L CA 0.952 55.754 54.840 -0.064 0.000 0.769 211 L CB -0.643 41.389 42.059 -0.046 0.000 0.908 211 L HN 0.256 nan 8.230 nan 0.000 0.438 212 D N 0.400 120.784 120.400 -0.028 0.000 2.264 212 D HA -0.120 4.519 4.640 -0.001 0.000 0.208 212 D C 1.816 178.111 176.300 -0.008 0.000 0.966 212 D CA 1.039 55.032 54.000 -0.013 0.000 0.864 212 D CB 0.066 40.861 40.800 -0.007 0.000 0.933 212 D HN 0.301 nan 8.370 nan 0.000 0.499 213 K N -0.111 120.274 120.400 -0.026 0.000 2.444 213 K HA 0.151 4.471 4.320 -0.001 0.000 0.193 213 K C 0.470 177.057 176.600 -0.022 0.000 1.024 213 K CA -0.016 56.259 56.287 -0.020 0.000 1.077 213 K CB 0.590 33.061 32.500 -0.050 0.000 0.833 213 K HN 0.095 nan 8.250 nan 0.000 0.517 214 L N 1.284 122.488 121.223 -0.032 0.000 2.350 214 L HA 0.210 4.549 4.340 -0.001 0.000 0.275 214 L C 0.618 177.542 176.870 0.090 0.000 1.099 214 L CA -0.583 54.230 54.840 -0.044 0.000 0.808 214 L CB 0.651 42.671 42.059 -0.066 0.000 1.149 214 L HN 0.195 nan 8.230 nan 0.000 0.442 215 H N 1.045 120.107 119.070 -0.014 0.000 2.639 215 H HA 0.111 4.667 4.556 -0.000 0.000 0.373 215 H C -0.341 174.979 175.328 -0.012 0.000 1.372 215 H CA -0.663 55.381 56.048 -0.007 0.000 1.448 215 H CB 0.671 30.434 29.762 0.002 0.000 1.544 215 H HN 0.565 nan 8.280 nan 0.000 0.615 216 N N -0.118 118.656 118.700 0.123 0.000 2.493 216 N HA 0.155 4.895 4.740 -0.001 0.000 0.275 216 N C -0.453 175.073 175.510 0.026 0.000 1.186 216 N CA -0.623 52.453 53.050 0.043 0.000 0.978 216 N CB 0.828 39.329 38.487 0.024 0.000 1.184 216 N HN 0.233 nan 8.380 nan 0.000 0.487 217 L N 1.052 122.231 121.223 -0.073 0.000 2.499 217 L HA -0.028 4.311 4.340 -0.001 0.000 0.281 217 L C 0.785 177.684 176.870 0.048 0.000 1.234 217 L CA 0.034 54.767 54.840 -0.177 0.000 0.839 217 L CB -0.094 41.559 42.059 -0.677 0.000 1.104 217 L HN 0.613 nan 8.230 nan 0.000 0.500 218 N N 0.330 119.133 118.700 0.173 0.000 2.315 218 N HA -0.107 4.632 4.740 -0.001 0.000 0.270 218 N C 1.071 176.777 175.510 0.327 0.000 1.329 218 N CA 0.379 53.605 53.050 0.294 0.000 0.860 218 N CB 0.591 39.351 38.487 0.455 0.000 1.095 218 N HN 0.630 nan 8.380 nan 0.000 0.487 219 S N 2.361 118.152 115.700 0.152 0.000 2.595 219 S HA -0.042 4.428 4.470 -0.001 0.000 0.235 219 S C 1.044 175.650 174.600 0.011 0.000 0.974 219 S CA 0.280 58.539 58.200 0.097 0.000 0.942 219 S CB -0.047 63.175 63.200 0.037 0.000 0.766 219 S HN 0.611 nan 8.310 nan 0.000 0.536 220 N N -0.091 118.562 118.700 -0.079 0.000 2.424 220 N HA 0.088 4.827 4.740 -0.001 0.000 0.178 220 N C 0.402 175.640 175.510 -0.452 0.000 1.060 220 N CA 0.650 53.489 53.050 -0.352 0.000 0.901 220 N CB 0.011 38.111 38.487 -0.646 0.000 0.979 220 N HN 0.616 nan 8.380 nan 0.000 0.451 221 W N -0.629 120.626 121.300 -0.075 0.000 2.661 221 W HA 0.297 4.957 4.660 -0.000 0.000 0.288 221 W C -0.376 175.811 176.519 -0.554 0.000 1.014 221 W CA -0.157 56.968 57.345 -0.367 0.000 1.396 221 W CB 0.276 29.371 29.460 -0.609 0.000 0.963 221 W HN -0.194 nan 8.180 nan 0.000 0.584 222 F N 1.827 121.883 119.950 0.176 0.000 2.561 222 F HA 0.507 5.034 4.527 -0.001 0.000 0.321 222 F C -1.770 174.061 175.800 0.052 0.000 1.065 222 F CA -2.678 55.381 58.000 0.098 0.000 0.934 222 F CB 0.358 39.408 39.000 0.083 0.000 1.215 222 F HN -0.423 nan 8.300 nan 0.000 0.471 223 P HA 0.190 nan 4.420 nan 0.000 0.272 223 P C -0.765 176.603 177.300 0.113 0.000 1.223 223 P CA -0.274 62.899 63.100 0.122 0.000 0.784 223 P CB 0.763 32.519 31.700 0.093 0.000 0.923 224 A N 1.693 124.555 122.820 0.070 0.000 2.561 224 A HA 0.379 4.698 4.320 -0.001 0.000 0.234 224 A C 1.501 179.113 177.584 0.046 0.000 1.055 224 A CA 0.835 52.903 52.037 0.051 0.000 0.756 224 A CB -1.411 17.607 19.000 0.030 0.000 0.986 224 A HN 0.951 nan 8.150 nan 0.000 0.505 225 G N 1.162 109.984 108.800 0.035 0.000 2.176 225 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.253 225 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.253 225 G C 0.428 175.343 174.900 0.025 0.000 0.979 225 G CA 0.365 45.481 45.100 0.027 0.000 0.641 225 G HN 1.238 nan 8.290 nan 0.000 0.530 226 S N 1.166 116.884 115.700 0.029 0.000 2.510 226 S HA 0.442 4.912 4.470 -0.001 0.000 0.279 226 S C 0.497 175.075 174.600 -0.036 0.000 1.284 226 S CA 0.053 58.254 58.200 0.003 0.000 1.059 226 S CB 1.045 64.248 63.200 0.006 0.000 0.901 226 S HN 0.455 nan 8.310 nan 0.000 0.491 227 K N 3.960 124.342 120.400 -0.030 0.000 2.123 227 K HA 0.400 4.719 4.320 -0.001 0.000 0.259 227 K C -2.463 174.116 176.600 -0.036 0.000 0.960 227 K CA -2.185 54.085 56.287 -0.029 0.000 0.872 227 K CB 0.719 33.205 32.500 -0.023 0.000 1.079 227 K HN 0.341 nan 8.250 nan 0.000 0.440 228 P HA -0.075 nan 4.420 nan 0.000 0.269 228 P C -0.638 176.737 177.300 0.124 0.000 1.209 228 P CA -0.164 62.945 63.100 0.016 0.000 0.776 228 P CB 0.363 32.121 31.700 0.097 0.000 0.876 229 F N 4.069 124.025 119.950 0.011 0.000 2.495 229 F HA 0.249 4.775 4.527 -0.000 0.000 0.365 229 F C -0.186 175.697 175.800 0.138 0.000 1.090 229 F CA -0.618 57.414 58.000 0.054 0.000 1.235 229 F CB -0.043 39.018 39.000 0.103 0.000 1.119 229 F HN 0.099 nan 8.300 nan 0.000 0.562 230 I N 8.625 128.989 120.570 -0.343 0.000 2.418 230 I HA 0.185 4.354 4.170 -0.001 0.000 0.287 230 I C -1.239 174.641 176.117 -0.395 0.000 1.008 230 I CA -0.751 60.371 61.300 -0.296 0.000 1.104 230 I CB 1.144 39.073 38.000 -0.119 0.000 1.264 230 I HN 0.532 nan 8.210 nan 0.000 0.438 231 Y N 3.214 123.209 120.300 -0.508 0.000 2.361 231 Y HA 0.683 5.233 4.550 -0.001 0.000 0.337 231 Y C -0.362 175.469 175.900 -0.115 0.000 0.965 231 Y CA -1.440 56.461 58.100 -0.331 0.000 1.091 231 Y CB 0.792 39.029 38.460 -0.371 0.000 1.182 231 Y HN 0.479 nan 8.280 nan 0.000 0.450 232 Q N 2.769 122.602 119.800 0.054 0.000 2.294 232 Q HA 0.148 4.487 4.340 -0.001 0.000 0.257 232 Q C -0.440 175.585 176.000 0.040 0.000 0.955 232 Q CA -0.397 55.409 55.803 0.005 0.000 0.936 232 Q CB 1.119 29.858 28.738 0.002 0.000 1.188 232 Q HN 0.757 nan 8.270 nan 0.000 0.420 233 E N 3.433 123.655 120.200 0.036 0.000 2.003 233 E HA 0.171 4.521 4.350 -0.001 0.000 0.279 233 E C -1.356 175.265 176.600 0.035 0.000 1.132 233 E CA -0.207 56.281 56.400 0.146 0.000 0.888 233 E CB 0.414 30.218 29.700 0.174 0.000 1.056 233 E HN 0.295 nan 8.360 nan 0.000 0.399 234 V N 7.301 127.251 119.914 0.061 0.000 2.447 234 V HA 0.270 4.389 4.120 -0.001 0.000 0.292 234 V C 0.067 176.173 176.094 0.020 0.000 1.021 234 V CA -0.659 61.574 62.300 -0.112 0.000 0.850 234 V CB 1.433 33.066 31.823 -0.317 0.000 1.005 234 V HN 0.639 nan 8.190 nan 0.000 0.426 235 I N 4.179 124.655 120.570 -0.157 0.000 2.329 235 I HA 0.273 4.443 4.170 -0.001 0.000 0.295 235 I C -0.300 175.743 176.117 -0.123 0.000 1.109 235 I CA 0.333 61.449 61.300 -0.307 0.000 1.297 235 I CB 0.495 38.143 38.000 -0.586 0.000 1.433 235 I HN 0.568 nan 8.210 nan 0.000 0.509 236 D N 7.947 128.349 120.400 0.003 0.000 2.440 236 D HA 0.497 5.137 4.640 -0.001 0.000 0.252 236 D C -0.396 175.930 176.300 0.043 0.000 1.180 236 D CA -0.237 53.773 54.000 0.018 0.000 0.894 236 D CB 0.940 41.766 40.800 0.043 0.000 1.111 236 D HN 0.304 nan 8.370 nan 0.000 0.544 237 L N 1.692 122.924 121.223 0.016 0.000 2.727 237 L HA 0.688 5.028 4.340 -0.001 0.000 0.210 237 L C 1.764 178.652 176.870 0.030 0.000 1.934 237 L CA -1.068 53.793 54.840 0.035 0.000 2.874 237 L CB -0.690 41.380 42.059 0.018 0.000 2.806 237 L HN 0.380 nan 8.230 nan 0.000 0.676 238 G N -0.571 108.241 108.800 0.021 0.000 2.597 238 G HA2 0.190 4.150 3.960 -0.001 0.000 0.283 238 G HA3 0.190 4.150 3.960 -0.001 0.000 0.283 238 G C 0.241 175.146 174.900 0.009 0.000 1.319 238 G CA 0.068 45.178 45.100 0.016 0.000 1.054 238 G HN 0.655 nan 8.290 nan 0.000 0.583 239 G N -0.516 108.289 108.800 0.008 0.000 2.192 239 G HA2 0.401 4.361 3.960 -0.001 0.000 0.258 239 G HA3 0.401 4.361 3.960 -0.001 0.000 0.258 239 G C -0.098 174.809 174.900 0.012 0.000 1.185 239 G CA 0.270 45.375 45.100 0.009 0.000 0.976 239 G HN 0.539 nan 8.290 nan 0.000 0.446 240 E N 2.761 122.971 120.200 0.018 0.000 2.372 240 E HA 0.182 4.532 4.350 -0.001 0.000 0.279 240 E C -1.752 174.864 176.600 0.027 0.000 0.946 240 E CA -1.680 54.738 56.400 0.029 0.000 0.769 240 E CB 2.902 32.623 29.700 0.034 0.000 1.230 240 E HN 0.279 nan 8.360 nan 0.000 0.442 241 P HA -0.088 nan 4.420 nan 0.000 0.218 241 P C 0.415 177.726 177.300 0.018 0.000 1.148 241 P CA 1.118 64.231 63.100 0.022 0.000 0.822 241 P CB 0.480 32.192 31.700 0.021 0.000 0.784 242 I N 0.863 121.443 120.570 0.018 0.000 2.371 242 I HA 0.160 4.330 4.170 -0.001 0.000 0.290 242 I C 0.709 176.849 176.117 0.039 0.000 1.028 242 I CA -0.508 60.808 61.300 0.027 0.000 1.345 242 I CB 0.732 38.742 38.000 0.016 0.000 1.407 242 I HN -0.212 nan 8.210 nan 0.000 0.501 243 K N 3.963 124.391 120.400 0.048 0.000 2.259 243 K HA 0.327 4.647 4.320 -0.001 0.000 0.249 243 K C 0.742 177.379 176.600 0.062 0.000 0.942 243 K CA -0.597 55.707 56.287 0.028 0.000 0.816 243 K CB 1.754 34.244 32.500 -0.016 0.000 1.155 243 K HN 0.633 nan 8.250 nan 0.000 0.428 244 S N -0.359 115.357 115.700 0.028 0.000 2.447 244 S HA -0.168 4.301 4.470 -0.001 0.000 0.233 244 S C 1.688 176.176 174.600 -0.187 0.000 1.006 244 S CA 1.378 59.603 58.200 0.041 0.000 0.957 244 S CB -0.361 62.893 63.200 0.090 0.000 0.773 244 S HN 0.648 nan 8.310 nan 0.000 0.507 245 S N 1.946 117.349 115.700 -0.496 0.000 2.474 245 S HA -0.099 4.371 4.470 -0.001 0.000 0.235 245 S C 1.106 175.263 174.600 -0.738 0.000 0.997 245 S CA 0.899 58.319 58.200 -1.302 0.000 0.949 245 S CB -0.527 62.243 63.200 -0.717 0.000 0.766 245 S HN 0.438 nan 8.310 nan 0.000 0.517 246 D N 0.494 120.730 120.400 -0.273 0.000 2.348 246 D HA 0.002 4.642 4.640 -0.001 0.000 0.216 246 D C 0.369 176.499 176.300 -0.284 0.000 0.970 246 D CA 0.827 54.688 54.000 -0.232 0.000 0.889 246 D CB -0.209 40.450 40.800 -0.234 0.000 0.912 246 D HN 0.616 nan 8.370 nan 0.000 0.524 247 Y N -1.023 119.214 120.300 -0.105 0.000 2.507 247 Y HA 0.142 4.692 4.550 -0.001 0.000 0.254 247 Y C 1.384 177.430 175.900 0.243 0.000 1.171 247 Y CA -0.536 57.600 58.100 0.061 0.000 1.238 247 Y CB -0.093 38.411 38.460 0.074 0.000 1.148 247 Y HN -0.182 nan 8.280 nan 0.000 0.525 248 F N 0.020 120.101 119.950 0.218 0.000 2.250 248 F HA -0.088 4.439 4.527 -0.000 0.000 0.301 248 F C 2.295 178.251 175.800 0.261 0.000 1.077 248 F CA 1.077 59.201 58.000 0.207 0.000 1.348 248 F CB -1.196 37.874 39.000 0.118 0.000 1.040 248 F HN 0.135 nan 8.300 nan 0.000 0.509 249 G N -0.826 108.198 108.800 0.373 0.000 2.679 249 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.212 249 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.212 249 G C 1.452 176.483 174.900 0.219 0.000 1.137 249 G CA 0.381 45.651 45.100 0.284 0.000 0.787 249 G HN 0.262 nan 8.290 nan 0.000 0.534 250 N N 0.097 118.927 118.700 0.217 0.000 2.294 250 N HA 0.250 4.989 4.740 -0.001 0.000 0.186 250 N C 1.083 176.613 175.510 0.032 0.000 1.107 250 N CA 0.929 54.043 53.050 0.106 0.000 0.884 250 N CB 1.492 40.058 38.487 0.132 0.000 1.030 250 N HN 0.422 nan 8.380 nan 0.000 0.482 251 G N -0.128 108.774 108.800 0.169 0.000 2.356 251 G HA2 0.073 4.033 3.960 -0.001 0.000 0.266 251 G HA3 0.073 4.033 3.960 -0.001 0.000 0.266 251 G C -1.278 173.846 174.900 0.374 0.000 1.312 251 G CA -0.878 44.274 45.100 0.087 0.000 0.922 251 G HN -0.056 nan 8.290 nan 0.000 0.480 252 R N -0.859 119.787 120.500 0.243 0.000 2.583 252 R HA 0.642 4.981 4.340 -0.001 0.000 0.268 252 R C 0.051 176.483 176.300 0.219 0.000 1.101 252 R CA 0.073 56.310 56.100 0.229 0.000 1.180 252 R CB 1.278 31.676 30.300 0.163 0.000 1.128 252 R HN 1.109 nan 8.270 nan 0.000 0.568 253 V N -2.855 117.195 119.914 0.228 0.000 3.078 253 V HA 0.433 4.553 4.120 -0.001 0.000 0.311 253 V C -0.051 176.166 176.094 0.205 0.000 1.138 253 V CA -1.135 61.301 62.300 0.226 0.000 1.007 253 V CB 1.799 33.785 31.823 0.273 0.000 1.045 253 V HN 0.910 nan 8.190 nan 0.000 0.432 254 T N -0.458 114.234 114.554 0.231 0.000 2.779 254 T HA 0.427 4.777 4.350 -0.001 0.000 0.296 254 T C -0.109 174.669 174.700 0.129 0.000 0.938 254 T CA 0.037 62.268 62.100 0.218 0.000 1.119 254 T CB 0.825 69.881 68.868 0.313 0.000 0.891 254 T HN 1.031 nan 8.240 nan 0.000 0.526 255 E N 2.828 122.983 120.200 -0.075 0.000 1.998 255 E HA 0.295 4.644 4.350 -0.001 0.000 0.257 255 E C -0.338 176.047 176.600 -0.359 0.000 1.038 255 E CA -1.115 55.208 56.400 -0.129 0.000 0.869 255 E CB -0.638 28.990 29.700 -0.120 0.000 1.135 255 E HN 0.669 nan 8.360 nan 0.000 0.430 256 F N 2.398 122.251 119.950 -0.161 0.000 2.451 256 F HA -0.002 4.524 4.527 -0.000 0.000 0.299 256 F C 1.695 177.366 175.800 -0.214 0.000 1.101 256 F CA 0.775 58.675 58.000 -0.166 0.000 1.436 256 F CB 0.121 39.123 39.000 0.004 0.000 1.074 256 F HN 0.382 nan 8.300 nan 0.000 0.553 257 K N -1.017 119.293 120.400 -0.150 0.000 2.283 257 K HA -0.212 4.108 4.320 -0.001 0.000 0.202 257 K C 1.747 178.065 176.600 -0.470 0.000 1.048 257 K CA 1.058 57.206 56.287 -0.232 0.000 0.948 257 K CB -0.388 31.964 32.500 -0.247 0.000 0.742 257 K HN 0.264 nan 8.250 nan 0.000 0.458 258 Y N 1.387 121.160 120.300 -0.878 0.000 2.070 258 Y HA -0.208 4.342 4.550 -0.001 0.000 0.280 258 Y C 2.441 178.207 175.900 -0.223 0.000 1.148 258 Y CA 2.019 59.684 58.100 -0.726 0.000 1.125 258 Y CB -0.735 37.307 38.460 -0.696 0.000 0.975 258 Y HN 0.037 nan 8.280 nan 0.000 0.492 259 G N -0.806 107.976 108.800 -0.031 0.000 2.422 259 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.218 259 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.218 259 G C 1.733 176.645 174.900 0.021 0.000 1.140 259 G CA 0.814 45.926 45.100 0.020 0.000 0.775 259 G HN 0.612 nan 8.290 nan 0.000 0.545 260 A N 0.939 123.781 122.820 0.035 0.000 1.873 260 A HA 0.065 4.385 4.320 -0.001 0.000 0.215 260 A C 2.385 180.013 177.584 0.073 0.000 1.186 260 A CA 1.661 53.740 52.037 0.071 0.000 0.616 260 A CB -0.237 18.825 19.000 0.103 0.000 0.823 260 A HN 0.188 nan 8.150 nan 0.000 0.442 261 K N -0.616 119.860 120.400 0.126 0.000 2.057 261 K HA -0.071 4.248 4.320 -0.001 0.000 0.206 261 K C 1.882 178.487 176.600 0.008 0.000 1.050 261 K CA 1.025 57.445 56.287 0.221 0.000 0.935 261 K CB -0.765 32.037 32.500 0.503 0.000 0.715 261 K HN 0.400 nan 8.250 nan 0.000 0.439 262 L N 1.047 122.196 121.223 -0.124 0.000 2.046 262 L HA -0.060 4.280 4.340 -0.001 0.000 0.208 262 L C 2.200 178.870 176.870 -0.334 0.000 1.077 262 L CA 2.013 56.583 54.840 -0.450 0.000 0.747 262 L CB -1.108 40.673 42.059 -0.463 0.000 0.896 262 L HN 0.238 nan 8.230 nan 0.000 0.432 263 G N -1.774 106.905 108.800 -0.201 0.000 2.446 263 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.217 263 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.217 263 G C 1.560 176.250 174.900 -0.349 0.000 1.168 263 G CA 1.502 46.459 45.100 -0.239 0.000 0.771 263 G HN 0.509 nan 8.290 nan 0.000 0.551 264 T N -1.139 113.281 114.554 -0.224 0.000 2.857 264 T HA -0.027 4.323 4.350 -0.001 0.000 0.266 264 T C 2.304 176.916 174.700 -0.147 0.000 1.048 264 T CA 1.447 63.444 62.100 -0.172 0.000 1.139 264 T CB -0.325 68.608 68.868 0.109 0.000 0.874 264 T HN 0.016 nan 8.240 nan 0.000 0.455 265 V N 1.371 121.191 119.914 -0.156 0.000 2.307 265 V HA -0.013 4.107 4.120 -0.001 0.000 0.245 265 V C 2.711 178.639 176.094 -0.277 0.000 1.045 265 V CA 1.609 63.802 62.300 -0.178 0.000 1.024 265 V CB -0.555 31.087 31.823 -0.303 0.000 0.651 265 V HN 0.501 nan 8.190 nan 0.000 0.449 266 I N -0.574 119.776 120.570 -0.366 0.000 2.546 266 I HA -0.156 4.014 4.170 -0.001 0.000 0.255 266 I C 2.479 178.411 176.117 -0.308 0.000 1.163 266 I CA 1.230 62.315 61.300 -0.359 0.000 1.457 266 I CB -0.260 37.512 38.000 -0.380 0.000 1.092 266 I HN 0.197 nan 8.210 nan 0.000 0.434 267 R N 0.902 121.164 120.500 -0.397 0.000 2.299 267 R HA 0.036 4.375 4.340 -0.001 0.000 0.197 267 R C 0.337 176.496 176.300 -0.236 0.000 0.971 267 R CA 0.118 55.927 56.100 -0.485 0.000 1.030 267 R CB 0.071 29.642 30.300 -1.216 0.000 0.932 267 R HN 0.158 nan 8.270 nan 0.000 0.477 268 K N -0.605 119.712 120.400 -0.139 0.000 3.069 268 K HA -0.164 4.155 4.320 -0.001 0.000 0.267 268 K C -1.043 175.686 176.600 0.216 0.000 1.082 268 K CA 0.403 56.699 56.287 0.015 0.000 0.782 268 K CB -0.934 31.571 32.500 0.009 0.000 1.230 268 K HN 0.154 nan 8.250 nan 0.000 0.488 269 W N 2.515 123.808 121.300 -0.011 0.000 2.238 269 W HA 0.098 4.758 4.660 0.000 0.000 0.321 269 W C 0.888 177.420 176.519 0.021 0.000 1.293 269 W CA 0.018 57.365 57.345 0.003 0.000 1.204 269 W CB -0.373 29.089 29.460 0.004 0.000 1.167 269 W HN 0.413 nan 8.180 nan 0.000 0.553 270 N N 0.188 119.006 118.700 0.198 0.000 2.669 270 N HA -0.189 4.550 4.740 -0.001 0.000 0.266 270 N C 0.628 176.213 175.510 0.126 0.000 1.024 270 N CA 1.367 54.485 53.050 0.114 0.000 0.766 270 N CB -1.525 37.014 38.487 0.086 0.000 0.898 270 N HN 1.079 nan 8.380 nan 0.000 0.548 271 G N -2.123 106.750 108.800 0.121 0.000 2.175 271 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.265 271 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.265 271 G C -0.105 174.904 174.900 0.182 0.000 0.979 271 G CA 0.600 45.779 45.100 0.131 0.000 0.663 271 G HN 0.741 nan 8.290 nan 0.000 0.533 272 E N 0.643 120.948 120.200 0.175 0.000 2.366 272 E HA 0.507 4.857 4.350 -0.001 0.000 0.266 272 E C 0.670 177.276 176.600 0.010 0.000 1.051 272 E CA 0.331 56.850 56.400 0.198 0.000 0.884 272 E CB 1.024 30.832 29.700 0.179 0.000 1.006 272 E HN 0.791 nan 8.360 nan 0.000 0.417 273 K N 0.499 120.813 120.400 -0.144 0.000 2.551 273 K HA 0.355 4.674 4.320 -0.001 0.000 0.269 273 K C 0.643 177.075 176.600 -0.280 0.000 0.949 273 K CA -0.746 55.369 56.287 -0.287 0.000 0.849 273 K CB 1.016 33.269 32.500 -0.411 0.000 1.411 273 K HN 0.171 nan 8.250 nan 0.000 0.432 274 M N 1.086 120.534 119.600 -0.255 0.000 2.260 274 M HA -0.188 4.291 4.480 -0.001 0.000 0.261 274 M C 1.773 178.061 176.300 -0.020 0.000 1.066 274 M CA 2.274 57.435 55.300 -0.232 0.000 1.082 274 M CB -0.546 31.883 32.600 -0.285 0.000 1.388 274 M HN 0.885 nan 8.290 nan 0.000 0.419 275 S N -0.253 115.420 115.700 -0.044 0.000 2.440 275 S HA -0.165 4.304 4.470 -0.001 0.000 0.238 275 S C 1.442 176.216 174.600 0.289 0.000 1.010 275 S CA 0.925 59.233 58.200 0.180 0.000 0.972 275 S CB -0.755 62.456 63.200 0.020 0.000 0.774 275 S HN 0.452 nan 8.310 nan 0.000 0.501 276 Y N 1.567 121.966 120.300 0.166 0.000 2.561 276 Y HA 0.342 4.892 4.550 -0.001 0.000 0.291 276 Y C 1.712 177.783 175.900 0.285 0.000 1.141 276 Y CA -0.825 57.389 58.100 0.189 0.000 1.303 276 Y CB -0.749 37.836 38.460 0.209 0.000 1.015 276 Y HN 0.287 nan 8.280 nan 0.000 0.547 277 L N -0.141 121.226 121.223 0.240 0.000 2.610 277 L HA -0.093 4.247 4.340 -0.001 0.000 0.232 277 L C 2.304 179.055 176.870 -0.199 0.000 1.149 277 L CA 0.544 55.363 54.840 -0.035 0.000 0.872 277 L CB -0.330 41.504 42.059 -0.375 0.000 0.992 277 L HN 0.128 nan 8.230 nan 0.000 0.447 278 K N 1.773 121.879 120.400 -0.489 0.000 2.044 278 K HA -0.195 4.125 4.320 -0.001 0.000 0.210 278 K C 1.197 177.515 176.600 -0.471 0.000 1.049 278 K CA 1.803 57.453 56.287 -1.060 0.000 0.927 278 K CB 0.044 32.029 32.500 -0.858 0.000 0.713 278 K HN 0.419 nan 8.250 nan 0.000 0.443 279 N N -0.088 118.532 118.700 -0.134 0.000 2.453 279 N HA -0.076 4.664 4.740 -0.001 0.000 0.270 279 N C -0.714 174.840 175.510 0.073 0.000 1.195 279 N CA -0.445 52.574 53.050 -0.052 0.000 0.902 279 N CB -0.492 37.977 38.487 -0.030 0.000 1.186 279 N HN 0.263 nan 8.380 nan 0.000 0.510 280 W N 1.362 122.456 121.300 -0.342 0.000 2.223 280 W HA 0.347 5.006 4.660 -0.001 0.000 0.334 280 W C 0.466 176.619 176.519 -0.609 0.000 1.334 280 W CA 1.854 58.748 57.345 -0.752 0.000 1.246 280 W CB 0.605 29.557 29.460 -0.846 0.000 1.184 280 W HN 0.476 nan 8.180 nan 0.000 0.563 281 G N 3.902 111.887 108.800 -1.358 0.000 2.317 281 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.196 281 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.196 281 G C 0.371 174.820 174.900 -0.752 0.000 1.255 281 G CA 0.063 44.525 45.100 -1.065 0.000 1.243 281 G HN 0.462 nan 8.290 nan 0.000 0.535 282 E N 0.591 120.654 120.200 -0.229 0.000 2.171 282 E HA -0.001 4.349 4.350 -0.001 0.000 0.197 282 E C 2.536 179.014 176.600 -0.204 0.000 0.997 282 E CA 1.860 58.195 56.400 -0.108 0.000 0.810 282 E CB -0.551 29.163 29.700 0.025 0.000 0.738 282 E HN 0.824 nan 8.360 nan 0.000 0.467 283 G N -0.261 108.423 108.800 -0.194 0.000 2.499 283 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.221 283 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.221 283 G C 0.486 175.242 174.900 -0.241 0.000 1.109 283 G CA 0.541 45.547 45.100 -0.156 0.000 0.749 283 G HN 0.272 nan 8.290 nan 0.000 0.568 284 W N 0.014 120.856 121.300 -0.765 0.000 3.330 284 W HA 0.452 5.112 4.660 -0.001 0.000 0.348 284 W C 1.570 177.647 176.519 -0.737 0.000 1.205 284 W CA -0.385 56.420 57.345 -0.900 0.000 1.841 284 W CB -0.081 28.442 29.460 -1.562 0.000 1.084 284 W HN 0.310 nan 8.180 nan 0.000 0.665 285 G N -0.233 108.381 108.800 -0.311 0.000 2.149 285 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.235 285 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.235 285 G C -0.102 174.885 174.900 0.146 0.000 1.018 285 G CA -0.498 44.555 45.100 -0.077 0.000 0.728 285 G HN -0.001 nan 8.290 nan 0.000 0.508 286 F N -0.251 119.648 119.950 -0.084 0.000 2.380 286 F HA 0.686 5.212 4.527 -0.001 0.000 0.319 286 F C 1.357 177.209 175.800 0.086 0.000 1.113 286 F CA -1.501 56.460 58.000 -0.065 0.000 1.056 286 F CB 0.386 39.199 39.000 -0.312 0.000 1.289 286 F HN 0.331 nan 8.300 nan 0.000 0.515 287 V N -0.597 119.553 119.914 0.393 0.000 3.319 287 V HA 0.336 4.456 4.120 -0.001 0.000 0.303 287 V C -2.544 173.725 176.094 0.292 0.000 1.094 287 V CA -1.871 60.650 62.300 0.368 0.000 1.106 287 V CB -0.281 31.792 31.823 0.417 0.000 1.099 287 V HN 0.501 nan 8.190 nan 0.000 0.476 288 P HA 0.092 nan 4.420 nan 0.000 0.266 288 P C 0.954 178.177 177.300 -0.128 0.000 1.195 288 P CA 0.561 63.649 63.100 -0.019 0.000 0.768 288 P CB 0.790 32.382 31.700 -0.181 0.000 0.838 289 S N 2.462 118.051 115.700 -0.185 0.000 2.387 289 S HA -0.198 4.272 4.470 -0.001 0.000 0.230 289 S C 1.282 175.669 174.600 -0.355 0.000 1.035 289 S CA 1.969 59.865 58.200 -0.506 0.000 1.014 289 S CB -0.884 62.090 63.200 -0.376 0.000 0.836 289 S HN 0.618 nan 8.310 nan 0.000 0.466 290 D N -0.346 119.900 120.400 -0.258 0.000 2.363 290 D HA -0.016 4.624 4.640 -0.001 0.000 0.226 290 D C 1.280 177.429 176.300 -0.251 0.000 1.020 290 D CA 0.264 54.127 54.000 -0.228 0.000 0.892 290 D CB -0.231 40.432 40.800 -0.227 0.000 0.900 290 D HN 0.298 nan 8.370 nan 0.000 0.531 291 R N -0.200 120.129 120.500 -0.285 0.000 2.535 291 R HA 0.430 4.769 4.340 -0.001 0.000 0.323 291 R C -0.111 176.150 176.300 -0.066 0.000 0.979 291 R CA -0.196 55.756 56.100 -0.246 0.000 1.120 291 R CB 1.012 30.904 30.300 -0.679 0.000 1.306 291 R HN 0.158 nan 8.270 nan 0.000 0.540 292 A N 1.661 124.419 122.820 -0.104 0.000 2.304 292 A HA 0.527 4.847 4.320 -0.001 0.000 0.323 292 A C -0.656 176.915 177.584 -0.021 0.000 1.195 292 A CA -0.488 51.516 52.037 -0.055 0.000 0.826 292 A CB 1.040 19.952 19.000 -0.148 0.000 1.184 292 A HN 0.107 nan 8.150 nan 0.000 0.496 293 L N 5.234 126.476 121.223 0.033 0.000 2.294 293 L HA 0.628 4.968 4.340 -0.001 0.000 0.283 293 L C -0.341 176.519 176.870 -0.017 0.000 1.015 293 L CA -0.295 54.579 54.840 0.057 0.000 0.831 293 L CB 0.833 42.925 42.059 0.055 0.000 1.217 293 L HN 0.670 nan 8.230 nan 0.000 0.420 294 V N 3.207 123.033 119.914 -0.146 0.000 2.994 294 V HA 0.837 4.957 4.120 -0.001 0.000 0.318 294 V C -0.614 175.333 176.094 -0.245 0.000 1.085 294 V CA -0.616 61.395 62.300 -0.482 0.000 0.998 294 V CB 1.847 33.096 31.823 -0.958 0.000 1.063 294 V HN 0.741 nan 8.190 nan 0.000 0.447 295 F N -1.026 118.697 119.950 -0.378 0.000 2.807 295 F HA 0.743 5.269 4.527 -0.001 0.000 0.316 295 F C -0.052 175.729 175.800 -0.032 0.000 1.162 295 F CA -0.808 57.083 58.000 -0.181 0.000 0.910 295 F CB 0.684 39.601 39.000 -0.139 0.000 1.314 295 F HN 0.240 nan 8.300 nan 0.000 0.454 296 V N -0.099 119.961 119.914 0.243 0.000 2.426 296 V HA 0.094 4.214 4.120 -0.001 0.000 0.242 296 V C -0.018 176.278 176.094 0.338 0.000 1.036 296 V CA 1.796 64.233 62.300 0.228 0.000 1.044 296 V CB -0.404 31.526 31.823 0.178 0.000 0.688 296 V HN 0.905 nan 8.190 nan 0.000 0.462 297 D N -0.292 120.372 120.400 0.439 0.000 2.570 297 D HA 0.306 4.946 4.640 -0.001 0.000 0.244 297 D C -1.125 175.323 176.300 0.247 0.000 1.178 297 D CA -0.580 53.638 54.000 0.364 0.000 0.881 297 D CB 1.933 42.885 40.800 0.253 0.000 1.453 297 D HN 0.278 nan 8.370 nan 0.000 0.447 298 N N -1.684 117.066 118.700 0.083 0.000 2.629 298 N HA 0.111 4.851 4.740 -0.001 0.000 0.279 298 N C 1.189 176.599 175.510 -0.167 0.000 1.344 298 N CA -0.497 52.482 53.050 -0.118 0.000 0.789 298 N CB 0.384 38.646 38.487 -0.376 0.000 1.508 298 N HN 0.565 nan 8.380 nan 0.000 0.516 299 H N -1.123 117.741 119.070 -0.343 0.000 2.460 299 H HA -0.071 4.484 4.556 -0.000 0.000 0.297 299 H C -0.214 174.723 175.328 -0.651 0.000 1.103 299 H CA 1.469 57.058 56.048 -0.765 0.000 1.292 299 H CB -0.171 28.908 29.762 -1.140 0.000 1.376 299 H HN 0.508 nan 8.280 nan 0.000 0.531 300 D N 1.397 121.333 120.400 -0.772 0.000 2.154 300 D HA -0.124 4.516 4.640 -0.001 0.000 0.211 300 D C 2.002 178.245 176.300 -0.096 0.000 0.977 300 D CA 1.437 55.199 54.000 -0.397 0.000 0.869 300 D CB -0.359 40.275 40.800 -0.275 0.000 1.022 300 D HN 0.558 nan 8.370 nan 0.000 0.461 301 N N 1.232 119.925 118.700 -0.012 0.000 2.550 301 N HA -0.162 4.578 4.740 -0.001 0.000 0.186 301 N C 1.379 176.942 175.510 0.089 0.000 1.110 301 N CA 0.635 53.738 53.050 0.088 0.000 0.912 301 N CB -0.715 37.879 38.487 0.178 0.000 0.968 301 N HN 0.395 nan 8.380 nan 0.000 0.448 302 Q N 0.506 120.325 119.800 0.032 0.000 2.435 302 Q HA -0.011 4.329 4.340 -0.001 0.000 0.207 302 Q C 0.677 176.797 176.000 0.200 0.000 0.956 302 Q CA 0.457 56.320 55.803 0.099 0.000 0.917 302 Q CB -0.069 28.707 28.738 0.064 0.000 0.997 302 Q HN 0.578 nan 8.270 nan 0.000 0.497 303 R N -0.824 119.734 120.500 0.097 0.000 2.659 303 R HA 0.413 4.753 4.340 -0.001 0.000 0.418 303 R C 0.469 176.855 176.300 0.143 0.000 1.076 303 R CA -0.016 56.179 56.100 0.158 0.000 1.093 303 R CB 0.284 30.512 30.300 -0.120 0.000 1.400 303 R HN 0.167 nan 8.270 nan 0.000 0.583 304 G N 1.411 110.288 108.800 0.128 0.000 2.225 304 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.267 304 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.267 304 G C 0.150 175.050 174.900 0.000 0.000 1.024 304 G CA 0.402 45.549 45.100 0.078 0.000 0.784 304 G HN 0.590 nan 8.290 nan 0.000 0.507 305 H N -0.072 119.045 119.070 0.080 0.000 2.505 305 H HA 0.442 4.998 4.556 -0.000 0.000 0.289 305 H C 1.261 176.604 175.328 0.025 0.000 1.052 305 H CA 1.181 57.285 56.048 0.094 0.000 1.156 305 H CB 0.614 30.502 29.762 0.211 0.000 1.507 305 H HN 0.775 nan 8.280 nan 0.000 0.548 306 G N -0.860 107.993 108.800 0.087 0.000 2.548 306 G HA2 0.442 4.402 3.960 -0.001 0.000 0.301 306 G HA3 0.442 4.402 3.960 -0.001 0.000 0.301 306 G C -1.141 173.752 174.900 -0.011 0.000 1.349 306 G CA -0.263 44.840 45.100 0.004 0.000 0.792 306 G HN 0.264 nan 8.290 nan 0.000 0.481 307 A N -1.331 121.432 122.820 -0.095 0.000 2.520 307 A HA 0.576 4.895 4.320 -0.001 0.000 0.235 307 A C 1.501 179.129 177.584 0.073 0.000 1.065 307 A CA 1.751 53.752 52.037 -0.059 0.000 0.764 307 A CB -0.013 18.888 19.000 -0.165 0.000 1.002 307 A HN 2.760 nan 8.150 nan 0.000 0.502 308 G N 0.246 109.100 108.800 0.090 0.000 2.796 308 G HA2 0.343 4.302 3.960 -0.001 0.000 0.198 308 G HA3 0.343 4.302 3.960 -0.001 0.000 0.198 308 G C 1.674 176.647 174.900 0.121 0.000 1.062 308 G CA 0.825 46.006 45.100 0.134 0.000 0.752 308 G HN 2.881 nan 8.290 nan 0.000 0.487 309 G N 0.469 109.333 108.800 0.106 0.000 2.566 309 G HA2 0.147 4.107 3.960 -0.001 0.000 0.280 309 G HA3 0.147 4.107 3.960 -0.001 0.000 0.280 309 G C 1.435 176.424 174.900 0.148 0.000 1.225 309 G CA 2.356 47.523 45.100 0.113 0.000 0.966 309 G HN 1.986 nan 8.290 nan 0.000 0.560 310 A N -0.448 122.490 122.820 0.197 0.000 2.066 310 A HA 0.266 4.586 4.320 -0.001 0.000 0.218 310 A C 2.723 180.477 177.584 0.285 0.000 1.157 310 A CA 2.879 55.080 52.037 0.273 0.000 0.670 310 A CB -0.708 18.487 19.000 0.326 0.000 0.804 310 A HN 2.169 nan 8.150 nan 0.000 0.453 311 S N -0.188 115.651 115.700 0.230 0.000 2.428 311 S HA 0.032 4.501 4.470 -0.001 0.000 0.230 311 S C 0.873 175.388 174.600 -0.140 0.000 1.014 311 S CA 0.013 58.136 58.200 -0.127 0.000 0.957 311 S CB -0.539 62.656 63.200 -0.008 0.000 0.784 311 S HN 0.286 nan 8.310 nan 0.000 0.499 312 I N 2.855 123.432 120.570 0.011 0.000 2.919 312 I HA 0.041 4.211 4.170 -0.001 0.000 0.303 312 I C 0.358 176.489 176.117 0.023 0.000 1.221 312 I CA 0.232 61.560 61.300 0.046 0.000 1.444 312 I CB -0.597 37.470 38.000 0.113 0.000 1.331 312 I HN 0.352 nan 8.210 nan 0.000 0.572 313 L N 6.609 127.870 121.223 0.063 0.000 2.322 313 L HA 0.538 4.877 4.340 -0.001 0.000 0.279 313 L C 0.516 177.433 176.870 0.080 0.000 1.036 313 L CA -0.340 54.557 54.840 0.094 0.000 0.807 313 L CB 1.807 43.973 42.059 0.177 0.000 1.226 313 L HN 0.792 nan 8.230 nan 0.000 0.433 314 T N -2.238 112.204 114.554 -0.187 0.000 2.778 314 T HA 0.333 4.683 4.350 -0.001 0.000 0.293 314 T C 0.778 174.898 174.700 -0.966 0.000 1.144 314 T CA -0.620 61.088 62.100 -0.652 0.000 1.010 314 T CB 0.720 69.395 68.868 -0.321 0.000 1.325 314 T HN 0.424 nan 8.240 nan 0.000 0.515 315 F N -1.010 118.399 119.950 -0.902 0.000 2.250 315 F HA 0.122 4.649 4.527 -0.000 0.000 0.301 315 F C 1.752 177.464 175.800 -0.146 0.000 1.077 315 F CA 0.225 57.954 58.000 -0.451 0.000 1.348 315 F CB -1.156 37.642 39.000 -0.336 0.000 1.040 315 F HN 0.567 nan 8.300 nan 0.000 0.509 316 W N 1.566 122.428 121.300 -0.729 0.000 2.364 316 W HA -0.129 4.531 4.660 0.000 0.000 0.281 316 W C 0.783 177.225 176.519 -0.129 0.000 1.219 316 W CA 0.987 58.093 57.345 -0.398 0.000 1.220 316 W CB -0.259 28.900 29.460 -0.502 0.000 1.127 316 W HN 0.014 nan 8.180 nan 0.000 0.556 317 D N -0.129 120.328 120.400 0.095 0.000 3.058 317 D HA 0.250 4.889 4.640 -0.001 0.000 0.272 317 D C 1.525 177.942 176.300 0.195 0.000 1.350 317 D CA 0.312 54.382 54.000 0.117 0.000 0.863 317 D CB 0.117 40.958 40.800 0.068 0.000 1.064 317 D HN 0.026 nan 8.370 nan 0.000 0.488 318 A N 1.330 124.300 122.820 0.248 0.000 1.906 318 A HA -0.352 3.967 4.320 -0.001 0.000 0.222 318 A C 2.198 179.973 177.584 0.319 0.000 1.282 318 A CA 1.971 54.225 52.037 0.363 0.000 0.675 318 A CB -0.483 18.634 19.000 0.195 0.000 0.838 318 A HN 0.327 nan 8.150 nan 0.000 0.469 319 R N -0.603 120.009 120.500 0.187 0.000 2.080 319 R HA -0.086 4.254 4.340 -0.001 0.000 0.236 319 R C 2.074 178.463 176.300 0.149 0.000 1.137 319 R CA 1.965 58.157 56.100 0.154 0.000 0.943 319 R CB -0.405 29.952 30.300 0.095 0.000 0.846 319 R HN 0.570 nan 8.270 nan 0.000 0.431 320 L N -0.696 120.594 121.223 0.113 0.000 2.313 320 L HA -0.106 4.234 4.340 -0.001 0.000 0.214 320 L C 2.127 179.050 176.870 0.087 0.000 1.119 320 L CA 0.515 55.380 54.840 0.040 0.000 0.809 320 L CB -0.446 41.603 42.059 -0.016 0.000 0.933 320 L HN 0.280 nan 8.230 nan 0.000 0.449 321 Y N 1.501 121.838 120.300 0.062 0.000 2.163 321 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 321 Y C 2.506 178.475 175.900 0.115 0.000 1.136 321 Y CA 1.445 59.600 58.100 0.091 0.000 1.147 321 Y CB -0.096 38.473 38.460 0.181 0.000 0.987 321 Y HN -0.022 nan 8.280 nan 0.000 0.509 322 K N -0.455 120.080 120.400 0.225 0.000 2.103 322 K HA -0.243 4.077 4.320 -0.001 0.000 0.207 322 K C 2.279 178.862 176.600 -0.027 0.000 1.048 322 K CA 1.860 58.264 56.287 0.194 0.000 0.930 322 K CB -0.285 32.468 32.500 0.422 0.000 0.716 322 K HN 0.402 nan 8.250 nan 0.000 0.444 323 M N 0.223 119.713 119.600 -0.183 0.000 2.175 323 M HA -0.145 4.335 4.480 -0.001 0.000 0.264 323 M C 2.166 178.239 176.300 -0.377 0.000 1.063 323 M CA 1.417 56.387 55.300 -0.550 0.000 1.119 323 M CB -0.040 32.331 32.600 -0.382 0.000 1.377 323 M HN 0.219 nan 8.290 nan 0.000 0.415 324 A N -0.672 121.986 122.820 -0.270 0.000 1.873 324 A HA -0.102 4.217 4.320 -0.001 0.000 0.215 324 A C 1.989 179.484 177.584 -0.149 0.000 1.186 324 A CA 1.566 53.458 52.037 -0.242 0.000 0.616 324 A CB -1.017 17.867 19.000 -0.194 0.000 0.823 324 A HN 0.349 nan 8.150 nan 0.000 0.442 325 V N 0.118 119.896 119.914 -0.227 0.000 2.407 325 V HA -0.187 3.932 4.120 -0.001 0.000 0.248 325 V C 2.761 178.836 176.094 -0.032 0.000 1.055 325 V CA 1.876 64.075 62.300 -0.168 0.000 1.049 325 V CB -1.393 30.253 31.823 -0.296 0.000 0.662 325 V HN 0.626 nan 8.190 nan 0.000 0.455 326 G N -0.915 107.873 108.800 -0.019 0.000 2.433 326 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.216 326 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.216 326 G C 1.573 176.565 174.900 0.154 0.000 1.186 326 G CA 0.991 46.142 45.100 0.085 0.000 0.779 326 G HN 0.480 nan 8.290 nan 0.000 0.543 327 F N 0.883 120.837 119.950 0.007 0.000 2.126 327 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 327 F C 2.675 178.546 175.800 0.119 0.000 1.096 327 F CA 2.130 60.144 58.000 0.024 0.000 1.255 327 F CB -0.081 38.647 39.000 -0.454 0.000 0.997 327 F HN 0.166 nan 8.300 nan 0.000 0.479 328 M N -0.011 119.751 119.600 0.271 0.000 2.065 328 M HA -0.233 4.246 4.480 -0.001 0.000 0.259 328 M C 2.042 178.445 176.300 0.171 0.000 1.069 328 M CA 1.990 57.473 55.300 0.306 0.000 1.110 328 M CB -0.487 32.259 32.600 0.243 0.000 1.328 328 M HN 0.274 nan 8.290 nan 0.000 0.405 329 L N 0.067 121.338 121.223 0.081 0.000 2.191 329 L HA -0.139 4.201 4.340 -0.001 0.000 0.212 329 L C 2.644 179.571 176.870 0.095 0.000 1.103 329 L CA 0.989 55.856 54.840 0.045 0.000 0.769 329 L CB -0.831 41.228 42.059 0.001 0.000 0.908 329 L HN 0.459 nan 8.230 nan 0.000 0.438 330 A N -1.947 120.912 122.820 0.066 0.000 1.975 330 A HA -0.096 4.224 4.320 -0.001 0.000 0.215 330 A C 1.263 179.060 177.584 0.354 0.000 1.170 330 A CA 0.313 52.439 52.037 0.149 0.000 0.656 330 A CB -0.411 18.541 19.000 -0.078 0.000 0.821 330 A HN 0.306 nan 8.150 nan 0.000 0.449 331 H N 0.927 120.070 119.070 0.123 0.000 2.683 331 H HA 0.148 4.704 4.556 -0.000 0.000 0.339 331 H C -1.659 173.761 175.328 0.153 0.000 1.081 331 H CA -1.214 54.868 56.048 0.058 0.000 1.432 331 H CB 1.398 31.066 29.762 -0.157 0.000 1.462 331 H HN 0.114 nan 8.280 nan 0.000 0.557 332 P HA -0.142 nan 4.420 nan 0.000 0.226 332 P C 0.266 177.693 177.300 0.210 0.000 1.153 332 P CA 0.529 63.677 63.100 0.081 0.000 0.777 332 P CB -0.110 31.576 31.700 -0.022 0.000 0.794 333 Y N 2.283 122.812 120.300 0.381 0.000 2.610 333 Y HA 0.303 4.852 4.550 -0.001 0.000 0.332 333 Y C 1.382 177.354 175.900 0.119 0.000 1.201 333 Y CA 1.335 59.583 58.100 0.248 0.000 1.465 333 Y CB -0.290 38.332 38.460 0.269 0.000 1.283 333 Y HN 0.299 nan 8.280 nan 0.000 0.563 334 G N 4.538 112.951 108.800 -0.646 0.000 2.740 334 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.250 334 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.250 334 G C -1.243 173.589 174.900 -0.113 0.000 1.358 334 G CA -0.065 44.766 45.100 -0.448 0.000 0.897 334 G HN 0.954 nan 8.290 nan 0.000 0.567 335 F N 1.868 121.695 119.950 -0.205 0.000 2.411 335 F HA 0.629 5.156 4.527 -0.001 0.000 0.352 335 F C 1.088 176.797 175.800 -0.152 0.000 1.123 335 F CA 0.027 57.931 58.000 -0.160 0.000 1.044 335 F CB 1.533 40.439 39.000 -0.158 0.000 1.135 335 F HN 0.840 nan 8.300 nan 0.000 0.461 336 T N 4.093 118.239 114.554 -0.680 0.000 2.845 336 T HA 0.439 4.789 4.350 -0.001 0.000 0.288 336 T C -0.373 174.065 174.700 -0.437 0.000 0.980 336 T CA -0.857 60.969 62.100 -0.456 0.000 1.071 336 T CB 1.398 70.072 68.868 -0.323 0.000 0.941 336 T HN 0.803 nan 8.240 nan 0.000 0.487 337 R N 2.293 122.691 120.500 -0.169 0.000 2.534 337 R HA 0.609 4.948 4.340 -0.001 0.000 0.301 337 R C -1.494 174.810 176.300 0.006 0.000 0.961 337 R CA -0.738 55.317 56.100 -0.075 0.000 0.871 337 R CB 1.620 31.898 30.300 -0.038 0.000 1.170 337 R HN 0.612 nan 8.270 nan 0.000 0.446 338 V N 5.313 125.246 119.914 0.031 0.000 2.539 338 V HA 0.334 4.453 4.120 -0.001 0.000 0.292 338 V C 0.206 176.352 176.094 0.086 0.000 1.045 338 V CA -0.703 61.640 62.300 0.072 0.000 0.945 338 V CB 1.574 33.471 31.823 0.123 0.000 0.993 338 V HN 0.795 nan 8.190 nan 0.000 0.464 339 M N 3.887 123.555 119.600 0.114 0.000 2.314 339 M HA 0.508 4.988 4.480 -0.001 0.000 0.342 339 M C -0.163 176.168 176.300 0.053 0.000 1.171 339 M CA 0.661 56.025 55.300 0.107 0.000 1.098 339 M CB 1.525 34.227 32.600 0.169 0.000 1.559 339 M HN 0.623 nan 8.290 nan 0.000 0.459 340 S N 2.600 118.300 115.700 0.000 0.000 2.779 340 S HA 0.752 5.222 4.470 -0.001 0.000 0.293 340 S C -1.140 173.531 174.600 0.119 0.000 1.150 340 S CA -0.645 57.571 58.200 0.026 0.000 1.057 340 S CB 0.485 63.622 63.200 -0.105 0.000 1.021 340 S HN 0.862 nan 8.310 nan 0.000 0.485 341 S N 3.219 118.975 115.700 0.092 0.000 2.753 341 S HA 0.847 5.316 4.470 -0.001 0.000 0.302 341 S C -1.155 173.570 174.600 0.208 0.000 1.104 341 S CA -0.769 57.509 58.200 0.130 0.000 0.968 341 S CB 0.494 63.695 63.200 0.001 0.000 1.278 341 S HN 0.833 nan 8.310 nan 0.000 0.549 342 Y N -1.128 119.261 120.300 0.149 0.000 2.545 342 Y HA 0.764 5.314 4.550 -0.001 0.000 0.348 342 Y C -0.635 175.294 175.900 0.049 0.000 1.002 342 Y CA -1.493 56.588 58.100 -0.031 0.000 1.039 342 Y CB 0.760 39.064 38.460 -0.261 0.000 1.271 342 Y HN 0.463 nan 8.280 nan 0.000 0.467 343 R N 1.522 122.128 120.500 0.176 0.000 2.490 343 R HA 0.472 4.812 4.340 -0.001 0.000 0.278 343 R C -1.522 175.118 176.300 0.567 0.000 1.069 343 R CA -0.320 55.922 56.100 0.237 0.000 1.080 343 R CB 0.869 31.192 30.300 0.039 0.000 1.030 343 R HN 0.944 nan 8.270 nan 0.000 0.491 344 W N 1.668 123.234 121.300 0.443 0.000 3.127 344 W HA 0.447 5.106 4.660 -0.001 0.000 0.330 344 W C -2.597 174.075 176.519 0.255 0.000 1.187 344 W CA -2.661 54.858 57.345 0.291 0.000 1.198 344 W CB 0.523 30.140 29.460 0.263 0.000 1.408 344 W HN 0.330 nan 8.180 nan 0.000 0.529 345 P HA 0.061 nan 4.420 nan 0.000 0.259 345 P C -0.211 176.999 177.300 -0.150 0.000 1.635 345 P CA 0.153 63.238 63.100 -0.026 0.000 1.199 345 P CB 0.239 31.957 31.700 0.029 0.000 1.850 346 R N 2.408 122.614 120.500 -0.490 0.000 2.502 346 R HA 0.039 4.379 4.340 -0.001 0.000 0.292 346 R C 0.572 176.644 176.300 -0.380 0.000 0.998 346 R CA 0.490 56.248 56.100 -0.571 0.000 1.056 346 R CB 0.308 30.007 30.300 -1.002 0.000 0.939 346 R HN 0.511 nan 8.270 nan 0.000 0.411 347 Q N 3.995 123.602 119.800 -0.322 0.000 2.674 347 Q HA 0.204 4.543 4.340 -0.001 0.000 0.249 347 Q C -1.353 174.539 176.000 -0.179 0.000 1.011 347 Q CA -0.455 55.251 55.803 -0.162 0.000 0.734 347 Q CB 0.549 29.263 28.738 -0.041 0.000 1.201 347 Q HN 0.381 nan 8.270 nan 0.000 0.498 348 F N 2.002 121.929 119.950 -0.040 0.000 2.467 348 F HA 0.225 4.751 4.527 -0.001 0.000 0.362 348 F C 0.467 176.266 175.800 -0.002 0.000 1.090 348 F CA 0.397 58.383 58.000 -0.023 0.000 1.202 348 F CB 0.930 39.895 39.000 -0.058 0.000 1.113 348 F HN 0.364 nan 8.300 nan 0.000 0.541 349 Q N 2.884 122.811 119.800 0.212 0.000 2.274 349 Q HA 0.260 4.599 4.340 -0.001 0.000 0.268 349 Q C -0.424 175.651 176.000 0.126 0.000 1.015 349 Q CA -0.903 54.980 55.803 0.133 0.000 0.775 349 Q CB 1.701 30.496 28.738 0.096 0.000 1.256 349 Q HN 0.580 nan 8.270 nan 0.000 0.442 350 N N 1.398 120.151 118.700 0.088 0.000 2.721 350 N HA -0.238 4.502 4.740 -0.001 0.000 0.249 350 N C 0.564 176.118 175.510 0.073 0.000 1.072 350 N CA 1.498 54.585 53.050 0.061 0.000 0.710 350 N CB -0.983 37.535 38.487 0.051 0.000 0.993 350 N HN 1.156 nan 8.380 nan 0.000 0.547 351 G N -0.759 108.098 108.800 0.095 0.000 2.184 351 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.264 351 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.264 351 G C -0.075 174.982 174.900 0.262 0.000 0.975 351 G CA 0.761 45.910 45.100 0.082 0.000 0.642 351 G HN 0.974 nan 8.290 nan 0.000 0.536 352 N N -0.329 118.554 118.700 0.305 0.000 2.321 352 N HA 0.490 5.230 4.740 -0.001 0.000 0.299 352 N C -1.056 174.566 175.510 0.187 0.000 1.048 352 N CA -0.606 52.607 53.050 0.272 0.000 0.836 352 N CB 1.931 40.499 38.487 0.135 0.000 1.269 352 N HN 0.008 nan 8.380 nan 0.000 0.486 353 D N 2.259 122.633 120.400 -0.044 0.000 2.374 353 D HA 0.001 4.641 4.640 -0.001 0.000 0.240 353 D C 1.235 177.501 176.300 -0.057 0.000 1.229 353 D CA -0.723 53.049 54.000 -0.380 0.000 0.895 353 D CB 0.877 41.275 40.800 -0.670 0.000 1.046 353 D HN 0.482 nan 8.370 nan 0.000 0.498 354 V N 1.747 121.669 119.914 0.014 0.000 3.241 354 V HA 0.011 4.130 4.120 -0.001 0.000 0.269 354 V C 0.678 176.927 176.094 0.259 0.000 1.151 354 V CA 0.854 63.251 62.300 0.161 0.000 1.158 354 V CB -0.555 31.365 31.823 0.161 0.000 0.764 354 V HN 0.358 nan 8.190 nan 0.000 0.508 355 N N 1.536 120.290 118.700 0.090 0.000 2.275 355 N HA 0.083 4.823 4.740 -0.001 0.000 0.236 355 N C 0.904 176.297 175.510 -0.195 0.000 1.154 355 N CA 0.731 53.704 53.050 -0.128 0.000 0.866 355 N CB 0.265 38.718 38.487 -0.058 0.000 1.093 355 N HN 0.802 nan 8.380 nan 0.000 0.515 356 D N -0.367 120.072 120.400 0.065 0.000 2.350 356 D HA -0.156 4.484 4.640 -0.001 0.000 0.216 356 D C 1.598 178.103 176.300 0.341 0.000 0.968 356 D CA 0.388 54.465 54.000 0.128 0.000 0.894 356 D CB -0.486 40.460 40.800 0.243 0.000 0.909 356 D HN 0.501 nan 8.370 nan 0.000 0.520 357 W N 0.932 122.484 121.300 0.420 0.000 2.863 357 W HA 0.250 4.910 4.660 -0.001 0.000 0.258 357 W C -0.211 176.441 176.519 0.222 0.000 1.298 357 W CA -0.573 57.005 57.345 0.388 0.000 1.451 357 W CB -0.759 28.883 29.460 0.304 0.000 1.107 357 W HN -0.304 nan 8.180 nan 0.000 0.641 358 V N 3.511 123.010 119.914 -0.692 0.000 2.625 358 V HA 0.096 4.216 4.120 -0.001 0.000 0.305 358 V C 1.472 177.603 176.094 0.063 0.000 1.055 358 V CA 0.967 62.924 62.300 -0.572 0.000 1.209 358 V CB -0.519 30.988 31.823 -0.526 0.000 0.877 358 V HN 0.181 nan 8.190 nan 0.000 0.489 359 G N 6.621 115.458 108.800 0.061 0.000 2.553 359 G HA2 0.449 4.408 3.960 -0.001 0.000 0.278 359 G HA3 0.449 4.408 3.960 -0.001 0.000 0.278 359 G C -2.249 172.430 174.900 -0.370 0.000 1.349 359 G CA -0.962 44.150 45.100 0.021 0.000 1.037 359 G HN 0.660 nan 8.290 nan 0.000 0.508 360 P HA 0.192 nan 4.420 nan 0.000 0.272 360 P C -2.670 174.116 177.300 -0.857 0.000 1.240 360 P CA -1.039 61.227 63.100 -1.391 0.000 0.791 360 P CB 0.035 31.232 31.700 -0.837 0.000 0.978 361 P HA 0.002 nan 4.420 nan 0.000 0.261 361 P C -0.306 176.785 177.300 -0.348 0.000 1.173 361 P CA 0.936 63.666 63.100 -0.616 0.000 0.760 361 P CB -0.185 30.987 31.700 -0.880 0.000 0.783 362 N N 0.688 119.279 118.700 -0.183 0.000 3.046 362 N HA 0.315 5.055 4.740 -0.001 0.000 0.243 362 N C -1.712 173.792 175.510 -0.010 0.000 1.452 362 N CA -1.027 51.978 53.050 -0.076 0.000 0.882 362 N CB 0.989 39.448 38.487 -0.047 0.000 1.425 362 N HN 0.111 nan 8.380 nan 0.000 0.517 363 N N 0.286 118.999 118.700 0.022 0.000 2.573 363 N HA 0.381 5.120 4.740 -0.001 0.000 0.262 363 N C -1.218 174.341 175.510 0.081 0.000 1.029 363 N CA -0.772 52.300 53.050 0.036 0.000 0.882 363 N CB 0.674 39.171 38.487 0.015 0.000 1.204 363 N HN 0.573 nan 8.380 nan 0.000 0.519 364 N N 1.954 120.728 118.700 0.123 0.000 2.738 364 N HA -0.210 4.530 4.740 -0.001 0.000 0.249 364 N C 0.910 176.633 175.510 0.355 0.000 1.047 364 N CA 1.273 54.441 53.050 0.197 0.000 0.707 364 N CB -1.115 37.437 38.487 0.108 0.000 0.937 364 N HN 1.031 nan 8.380 nan 0.000 0.545 365 G N -2.391 106.658 108.800 0.415 0.000 2.253 365 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.251 365 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.251 365 G C 0.068 174.975 174.900 0.011 0.000 0.998 365 G CA 0.281 45.464 45.100 0.138 0.000 0.621 365 G HN 0.491 nan 8.290 nan 0.000 0.524 366 V N 3.086 123.026 119.914 0.043 0.000 2.408 366 V HA 0.401 4.521 4.120 -0.001 0.000 0.267 366 V C 1.328 177.406 176.094 -0.027 0.000 1.047 366 V CA -0.532 61.766 62.300 -0.003 0.000 0.937 366 V CB 1.021 32.852 31.823 0.014 0.000 0.999 366 V HN 0.363 nan 8.190 nan 0.000 0.472 367 I N 5.017 125.552 120.570 -0.058 0.000 2.775 367 I HA 0.012 4.182 4.170 -0.001 0.000 0.290 367 I C 1.002 177.117 176.117 -0.003 0.000 1.203 367 I CA 0.340 61.608 61.300 -0.053 0.000 1.433 367 I CB 0.180 38.151 38.000 -0.049 0.000 1.354 367 I HN 0.580 nan 8.210 nan 0.000 0.579 368 K N 5.251 125.664 120.400 0.022 0.000 2.258 368 K HA 0.112 4.432 4.320 -0.001 0.000 0.264 368 K C 0.103 176.801 176.600 0.163 0.000 1.007 368 K CA -0.421 55.907 56.287 0.069 0.000 0.941 368 K CB 0.564 33.074 32.500 0.015 0.000 0.966 368 K HN 0.535 nan 8.250 nan 0.000 0.480 369 E N 1.489 121.727 120.200 0.064 0.000 2.354 369 E HA 0.051 4.401 4.350 -0.001 0.000 0.269 369 E C -0.935 175.618 176.600 -0.079 0.000 1.036 369 E CA -0.526 55.847 56.400 -0.046 0.000 0.876 369 E CB 0.897 30.568 29.700 -0.049 0.000 1.009 369 E HN 0.146 nan 8.360 nan 0.000 0.416 370 V N 4.931 124.576 119.914 -0.448 0.000 2.405 370 V HA 0.093 4.213 4.120 -0.001 0.000 0.264 370 V C 0.406 176.324 176.094 -0.294 0.000 1.048 370 V CA -0.135 61.754 62.300 -0.685 0.000 0.966 370 V CB 0.448 31.400 31.823 -1.453 0.000 1.015 370 V HN 0.774 nan 8.190 nan 0.000 0.477 371 T N 4.133 118.622 114.554 -0.109 0.000 2.867 371 T HA 0.676 5.026 4.350 -0.001 0.000 0.282 371 T C -0.502 174.173 174.700 -0.042 0.000 1.000 371 T CA -0.793 61.274 62.100 -0.055 0.000 1.042 371 T CB 1.576 70.440 68.868 -0.007 0.000 0.973 371 T HN 0.218 nan 8.240 nan 0.000 0.465 372 I N 3.370 123.921 120.570 -0.032 0.000 2.321 372 I HA 0.343 4.513 4.170 -0.001 0.000 0.291 372 I C 0.324 176.441 176.117 -0.001 0.000 0.998 372 I CA -0.963 60.326 61.300 -0.019 0.000 1.227 372 I CB 0.947 38.939 38.000 -0.014 0.000 1.368 372 I HN 0.691 nan 8.210 nan 0.000 0.466 373 N N 8.556 127.259 118.700 0.005 0.000 2.408 373 N HA 0.263 5.003 4.740 -0.001 0.000 0.260 373 N C -1.423 174.096 175.510 0.015 0.000 1.242 373 N CA -1.247 51.810 53.050 0.011 0.000 0.959 373 N CB 0.577 39.072 38.487 0.014 0.000 1.201 373 N HN 0.358 nan 8.380 nan 0.000 0.511 374 P HA -0.141 nan 4.420 nan 0.000 0.221 374 P C 0.139 177.454 177.300 0.025 0.000 1.145 374 P CA 1.368 64.480 63.100 0.020 0.000 0.795 374 P CB 0.194 31.903 31.700 0.016 0.000 0.775 375 D N -1.199 119.215 120.400 0.023 0.000 2.358 375 D HA -0.015 4.625 4.640 -0.001 0.000 0.224 375 D C 0.630 176.954 176.300 0.039 0.000 1.123 375 D CA 0.861 54.878 54.000 0.028 0.000 0.833 375 D CB -0.810 40.000 40.800 0.017 0.000 0.946 375 D HN 0.249 nan 8.370 nan 0.000 0.505 376 T N -3.359 111.217 114.554 0.037 0.000 5.975 376 T HA -0.260 4.089 4.350 -0.001 0.000 0.273 376 T C 0.581 175.277 174.700 -0.007 0.000 2.189 376 T CA 1.526 63.645 62.100 0.031 0.000 3.660 376 T CB -2.992 65.928 68.868 0.085 0.000 1.044 376 T HN 0.510 nan 8.240 nan 0.000 1.166 377 T N -1.109 113.453 114.554 0.012 0.000 2.810 377 T HA 0.675 5.025 4.350 -0.001 0.000 0.277 377 T C 0.764 175.473 174.700 0.015 0.000 0.973 377 T CA -0.279 61.836 62.100 0.025 0.000 0.949 377 T CB 1.357 70.248 68.868 0.038 0.000 1.075 377 T HN 0.640 nan 8.240 nan 0.000 0.537 378 c N 0.117 118.745 118.600 0.047 0.000 2.529 378 c HA 0.909 5.479 4.570 -0.001 0.000 0.329 378 c C 1.178 175.316 174.090 0.080 0.000 1.194 378 c CA -0.515 55.848 56.329 0.056 0.000 1.779 378 c CB 0.938 43.502 42.510 0.091 0.000 2.322 378 c HN 1.208 nan 8.230 nan 0.000 0.500 379 G N 0.400 109.249 108.800 0.081 0.000 2.887 379 G HA2 0.519 4.479 3.960 -0.001 0.000 0.277 379 G HA3 0.519 4.479 3.960 -0.001 0.000 0.277 379 G C -0.142 174.830 174.900 0.120 0.000 1.346 379 G CA -0.212 44.931 45.100 0.072 0.000 1.058 379 G HN 0.775 nan 8.290 nan 0.000 0.535 380 N N 0.120 118.841 118.700 0.037 0.000 2.776 380 N HA -0.144 4.596 4.740 -0.001 0.000 0.250 380 N C -0.101 175.257 175.510 -0.253 0.000 1.112 380 N CA 1.256 54.280 53.050 -0.043 0.000 0.733 380 N CB -0.694 37.834 38.487 0.068 0.000 1.097 380 N HN 0.695 nan 8.380 nan 0.000 0.558 381 D N -3.767 116.538 120.400 -0.160 0.000 3.090 381 D HA -0.229 4.411 4.640 -0.001 0.000 0.215 381 D C -0.435 175.718 176.300 -0.246 0.000 1.140 381 D CA 1.066 54.943 54.000 -0.204 0.000 0.937 381 D CB -1.525 39.133 40.800 -0.235 0.000 1.108 381 D HN 0.543 nan 8.370 nan 0.000 0.420 382 W N 0.308 121.583 121.300 -0.041 0.000 2.322 382 W HA 0.383 5.043 4.660 -0.000 0.000 0.307 382 W C 1.693 178.193 176.519 -0.030 0.000 1.220 382 W CA -0.950 56.385 57.345 -0.018 0.000 1.210 382 W CB 0.864 30.258 29.460 -0.110 0.000 1.223 382 W HN -0.277 nan 8.180 nan 0.000 0.511 383 V N 2.273 122.256 119.914 0.114 0.000 2.453 383 V HA -0.235 3.885 4.120 -0.001 0.000 0.247 383 V C 1.213 177.368 176.094 0.102 0.000 1.048 383 V CA 0.511 62.778 62.300 -0.056 0.000 1.049 383 V CB -0.903 30.583 31.823 -0.563 0.000 0.672 383 V HN 0.873 nan 8.190 nan 0.000 0.457 384 c N 1.181 119.883 118.600 0.170 0.000 3.896 384 c HA -0.160 4.410 4.570 -0.001 0.000 0.300 384 c C 1.678 175.649 174.090 -0.198 0.000 1.322 384 c CA 0.522 56.918 56.329 0.111 0.000 2.130 384 c CB -2.566 39.969 42.510 0.042 0.000 1.363 384 c HN 0.678 nan 8.230 nan 0.000 0.642 385 E N 0.446 120.417 120.200 -0.383 0.000 2.160 385 E HA -0.188 4.162 4.350 -0.001 0.000 0.195 385 E C 1.971 178.274 176.600 -0.494 0.000 0.991 385 E CA 1.655 57.437 56.400 -1.031 0.000 0.810 385 E CB -0.143 29.148 29.700 -0.681 0.000 0.742 385 E HN 0.975 nan 8.360 nan 0.000 0.466 386 H N -0.193 118.746 119.070 -0.218 0.000 2.545 386 H HA 0.080 4.636 4.556 -0.001 0.000 0.282 386 H C 1.333 176.726 175.328 0.107 0.000 1.020 386 H CA 0.906 56.949 56.048 -0.009 0.000 1.243 386 H CB -0.030 29.652 29.762 -0.133 0.000 1.377 386 H HN 0.075 nan 8.280 nan 0.000 0.581 387 R N -0.599 119.647 120.500 -0.425 0.000 2.312 387 R HA 0.056 4.395 4.340 -0.001 0.000 0.205 387 R C -0.201 176.242 176.300 0.239 0.000 0.904 387 R CA -0.411 55.559 56.100 -0.217 0.000 1.052 387 R CB 0.241 30.258 30.300 -0.472 0.000 1.014 387 R HN 0.108 nan 8.270 nan 0.000 0.503 388 W N 1.941 123.267 121.300 0.043 0.000 2.308 388 W HA 0.100 4.759 4.660 -0.001 0.000 0.324 388 W C 1.574 178.165 176.519 0.120 0.000 1.387 388 W CA -0.983 56.413 57.345 0.085 0.000 1.250 388 W CB -0.014 29.515 29.460 0.115 0.000 1.257 388 W HN 0.098 nan 8.180 nan 0.000 0.554 389 R N 2.089 122.765 120.500 0.294 0.000 2.115 389 R HA -0.296 4.044 4.340 -0.001 0.000 0.239 389 R C 2.088 178.508 176.300 0.200 0.000 1.133 389 R CA 2.644 58.867 56.100 0.205 0.000 0.935 389 R CB -0.234 30.136 30.300 0.116 0.000 0.853 389 R HN 0.589 nan 8.270 nan 0.000 0.433 390 Q N -0.027 119.895 119.800 0.204 0.000 2.181 390 Q HA -0.188 4.152 4.340 -0.001 0.000 0.205 390 Q C 2.214 178.351 176.000 0.228 0.000 0.980 390 Q CA 1.673 57.586 55.803 0.182 0.000 0.862 390 Q CB -0.291 28.583 28.738 0.226 0.000 0.905 390 Q HN 0.537 nan 8.270 nan 0.000 0.429 391 I N 0.510 121.253 120.570 0.288 0.000 2.429 391 I HA -0.113 4.057 4.170 -0.001 0.000 0.247 391 I C 2.838 179.079 176.117 0.207 0.000 1.099 391 I CA 0.383 61.816 61.300 0.221 0.000 1.422 391 I CB -0.353 37.764 38.000 0.194 0.000 1.112 391 I HN 0.115 nan 8.210 nan 0.000 0.430 392 R N 1.726 122.398 120.500 0.286 0.000 2.096 392 R HA -0.229 4.110 4.340 -0.001 0.000 0.240 392 R C 1.811 178.199 176.300 0.147 0.000 1.139 392 R CA 2.140 58.428 56.100 0.314 0.000 0.952 392 R CB -0.555 29.993 30.300 0.414 0.000 0.854 392 R HN 0.325 nan 8.270 nan 0.000 0.436 393 N N 0.124 118.914 118.700 0.149 0.000 2.289 393 N HA -0.116 4.624 4.740 -0.001 0.000 0.184 393 N C 1.578 177.154 175.510 0.109 0.000 1.016 393 N CA 1.162 54.286 53.050 0.124 0.000 0.872 393 N CB -0.131 38.436 38.487 0.134 0.000 0.973 393 N HN 0.267 nan 8.380 nan 0.000 0.433 394 M N -0.227 119.423 119.600 0.083 0.000 2.447 394 M HA 0.059 4.538 4.480 -0.001 0.000 0.264 394 M C 1.784 178.098 176.300 0.022 0.000 1.095 394 M CA 0.328 55.657 55.300 0.048 0.000 1.125 394 M CB -0.463 32.147 32.600 0.017 0.000 1.389 394 M HN -0.110 nan 8.290 nan 0.000 0.459 395 V N 0.470 120.350 119.914 -0.057 0.000 2.358 395 V HA -0.227 3.892 4.120 -0.001 0.000 0.246 395 V C 2.312 178.282 176.094 -0.206 0.000 1.047 395 V CA 1.426 63.597 62.300 -0.215 0.000 1.035 395 V CB -0.427 31.079 31.823 -0.528 0.000 0.658 395 V HN 0.334 nan 8.190 nan 0.000 0.452 396 I N -0.791 119.683 120.570 -0.161 0.000 2.252 396 I HA -0.237 3.933 4.170 -0.001 0.000 0.245 396 I C 2.329 178.328 176.117 -0.197 0.000 1.102 396 I CA 1.687 62.888 61.300 -0.165 0.000 1.385 396 I CB -0.434 37.505 38.000 -0.101 0.000 1.064 396 I HN 0.330 nan 8.210 nan 0.000 0.414 397 F N 1.963 121.723 119.950 -0.316 0.000 2.126 397 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 397 F C 2.682 178.342 175.800 -0.233 0.000 1.096 397 F CA 1.745 59.517 58.000 -0.378 0.000 1.255 397 F CB -0.368 38.536 39.000 -0.160 0.000 0.997 397 F HN -0.147 nan 8.300 nan 0.000 0.479 398 R N 0.213 120.814 120.500 0.169 0.000 2.081 398 R HA -0.178 4.161 4.340 -0.001 0.000 0.235 398 R C 2.051 178.309 176.300 -0.070 0.000 1.131 398 R CA 1.705 57.857 56.100 0.086 0.000 0.960 398 R CB -0.348 29.964 30.300 0.021 0.000 0.856 398 R HN 0.289 nan 8.270 nan 0.000 0.436 399 N N -0.022 118.602 118.700 -0.125 0.000 2.120 399 N HA -0.140 4.600 4.740 -0.001 0.000 0.188 399 N C 1.766 177.183 175.510 -0.155 0.000 1.024 399 N CA 1.327 54.297 53.050 -0.133 0.000 0.852 399 N CB -0.374 38.027 38.487 -0.143 0.000 1.003 399 N HN 0.044 nan 8.380 nan 0.000 0.424 400 V N 1.048 120.814 119.914 -0.246 0.000 2.343 400 V HA -0.139 3.980 4.120 -0.001 0.000 0.247 400 V C 2.193 178.146 176.094 -0.235 0.000 1.051 400 V CA 1.576 63.721 62.300 -0.258 0.000 1.036 400 V CB -0.572 31.008 31.823 -0.406 0.000 0.654 400 V HN 0.296 nan 8.190 nan 0.000 0.451 401 V N -1.606 118.120 119.914 -0.314 0.000 3.623 401 V HA 0.155 4.274 4.120 -0.001 0.000 0.271 401 V C 0.749 176.788 176.094 -0.092 0.000 1.248 401 V CA 0.016 62.182 62.300 -0.224 0.000 1.156 401 V CB -0.744 30.893 31.823 -0.310 0.000 0.870 401 V HN 0.500 nan 8.190 nan 0.000 0.453 402 D N 1.481 121.834 120.400 -0.079 0.000 2.586 402 D HA 0.337 4.977 4.640 -0.001 0.000 0.234 402 D C 1.487 177.777 176.300 -0.017 0.000 1.132 402 D CA 2.133 56.113 54.000 -0.033 0.000 0.860 402 D CB 0.313 41.092 40.800 -0.036 0.000 1.159 402 D HN 0.593 nan 8.370 nan 0.000 0.490 403 G N 2.660 111.461 108.800 0.002 0.000 2.268 403 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.240 403 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.240 403 G C 0.462 175.373 174.900 0.019 0.000 1.010 403 G CA 0.364 45.469 45.100 0.008 0.000 0.618 403 G HN 0.681 nan 8.290 nan 0.000 0.516 404 Q N 2.479 122.290 119.800 0.019 0.000 2.332 404 Q HA 0.485 4.825 4.340 -0.001 0.000 0.263 404 Q C -1.686 174.354 176.000 0.067 0.000 0.979 404 Q CA -1.326 54.498 55.803 0.034 0.000 0.885 404 Q CB 1.045 29.794 28.738 0.018 0.000 1.218 404 Q HN 0.409 nan 8.270 nan 0.000 0.405 405 P HA -0.011 nan 4.420 nan 0.000 0.274 405 P C -0.962 176.436 177.300 0.164 0.000 1.237 405 P CA -0.253 62.914 63.100 0.112 0.000 0.793 405 P CB 0.466 32.222 31.700 0.094 0.000 0.977 406 F N 2.547 122.508 119.950 0.020 0.000 2.467 406 F HA 0.358 4.885 4.527 -0.001 0.000 0.362 406 F C 0.212 176.074 175.800 0.103 0.000 1.090 406 F CA 1.018 59.033 58.000 0.025 0.000 1.202 406 F CB 0.260 39.184 39.000 -0.127 0.000 1.113 406 F HN 0.449 nan 8.300 nan 0.000 0.541 407 T N 1.652 116.040 114.554 -0.276 0.000 2.711 407 T HA 0.274 4.623 4.350 -0.001 0.000 0.302 407 T C -0.666 174.007 174.700 -0.044 0.000 1.373 407 T CA -1.280 60.762 62.100 -0.097 0.000 1.000 407 T CB 1.157 70.056 68.868 0.051 0.000 1.483 407 T HN 0.511 nan 8.240 nan 0.000 0.499 408 N N 0.554 119.321 118.700 0.112 0.000 2.714 408 N HA -0.129 4.611 4.740 -0.001 0.000 0.253 408 N C -0.545 175.132 175.510 0.277 0.000 1.024 408 N CA 0.661 53.844 53.050 0.222 0.000 0.726 408 N CB -0.799 37.865 38.487 0.295 0.000 0.908 408 N HN 0.730 nan 8.380 nan 0.000 0.542 409 W N 1.147 122.495 121.300 0.080 0.000 2.218 409 W HA 0.388 5.047 4.660 -0.001 0.000 0.326 409 W C -0.615 176.057 176.519 0.255 0.000 1.276 409 W CA -0.335 57.096 57.345 0.144 0.000 1.210 409 W CB 0.428 29.980 29.460 0.154 0.000 1.143 409 W HN 0.231 nan 8.180 nan 0.000 0.563 410 Y N 5.228 125.101 120.300 -0.712 0.000 2.470 410 Y HA 0.383 4.933 4.550 -0.000 0.000 0.341 410 Y C -1.674 173.802 175.900 -0.706 0.000 1.021 410 Y CA -0.975 56.856 58.100 -0.447 0.000 1.025 410 Y CB 1.323 39.709 38.460 -0.123 0.000 1.266 410 Y HN 0.524 nan 8.280 nan 0.000 0.448 411 D N 2.242 121.761 120.400 -1.468 0.000 2.736 411 D HA 0.202 4.842 4.640 -0.001 0.000 0.223 411 D C -1.026 174.771 176.300 -0.838 0.000 1.231 411 D CA -0.823 52.573 54.000 -1.006 0.000 0.818 411 D CB 1.054 41.713 40.800 -0.235 0.000 1.587 411 D HN 0.440 nan 8.370 nan 0.000 0.463 412 N N 1.318 119.778 118.700 -0.400 0.000 2.322 412 N HA 0.171 4.911 4.740 -0.001 0.000 0.216 412 N C 1.320 176.857 175.510 0.045 0.000 1.144 412 N CA 0.227 53.261 53.050 -0.026 0.000 0.830 412 N CB 0.136 38.767 38.487 0.240 0.000 1.034 412 N HN 1.021 nan 8.380 nan 0.000 0.484 413 G N -1.417 107.380 108.800 -0.006 0.000 2.189 413 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.267 413 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.267 413 G C 0.378 175.284 174.900 0.011 0.000 0.975 413 G CA 0.792 45.914 45.100 0.037 0.000 0.644 413 G HN 0.661 nan 8.290 nan 0.000 0.537 414 S N -0.914 114.788 115.700 0.003 0.000 3.697 414 S HA 0.408 4.878 4.470 -0.001 0.000 0.184 414 S C 0.967 175.493 174.600 -0.123 0.000 1.045 414 S CA 0.753 58.942 58.200 -0.018 0.000 1.330 414 S CB 0.099 63.389 63.200 0.149 0.000 1.393 414 S HN 0.298 nan 8.310 nan 0.000 0.855 415 N N 1.090 119.693 118.700 -0.161 0.000 2.291 415 N HA 0.272 5.012 4.740 -0.001 0.000 0.244 415 N C -1.136 174.228 175.510 -0.242 0.000 1.216 415 N CA -0.222 52.694 53.050 -0.224 0.000 0.879 415 N CB 0.894 39.228 38.487 -0.255 0.000 1.167 415 N HN 0.429 nan 8.380 nan 0.000 0.515 416 Q N 0.680 120.354 119.800 -0.210 0.000 2.327 416 Q HA 0.546 4.886 4.340 -0.001 0.000 0.270 416 Q C -0.851 174.982 176.000 -0.278 0.000 1.022 416 Q CA -0.863 54.788 55.803 -0.254 0.000 0.773 416 Q CB 1.797 30.378 28.738 -0.262 0.000 1.251 416 Q HN -0.010 nan 8.270 nan 0.000 0.457 417 V N -1.140 118.591 119.914 -0.306 0.000 3.158 417 V HA 1.044 5.164 4.120 -0.001 0.000 0.311 417 V C -1.001 174.882 176.094 -0.351 0.000 1.181 417 V CA -0.509 61.511 62.300 -0.467 0.000 1.054 417 V CB 1.640 33.092 31.823 -0.618 0.000 1.085 417 V HN 1.061 nan 8.190 nan 0.000 0.446 418 A N 1.439 123.956 122.820 -0.505 0.000 2.605 418 A HA 0.991 5.311 4.320 -0.001 0.000 0.294 418 A C -1.233 176.098 177.584 -0.421 0.000 1.062 418 A CA -0.208 51.533 52.037 -0.493 0.000 0.682 418 A CB 1.623 20.359 19.000 -0.439 0.000 1.278 418 A HN 2.394 nan 8.150 nan 0.000 0.410 419 F N -0.981 118.539 119.950 -0.716 0.000 2.741 419 F HA 0.863 5.390 4.527 -0.001 0.000 0.311 419 F C -0.050 175.342 175.800 -0.680 0.000 1.149 419 F CA -0.347 57.345 58.000 -0.512 0.000 0.930 419 F CB 0.818 39.657 39.000 -0.269 0.000 1.312 419 F HN 1.140 nan 8.300 nan 0.000 0.450 420 G N 0.474 109.224 108.800 -0.084 0.000 2.630 420 G HA2 0.668 4.628 3.960 -0.001 0.000 0.296 420 G HA3 0.668 4.628 3.960 -0.001 0.000 0.296 420 G C -1.622 173.378 174.900 0.166 0.000 1.285 420 G CA -1.322 43.827 45.100 0.082 0.000 0.958 420 G HN 0.580 nan 8.290 nan 0.000 0.479 421 R N 0.460 121.060 120.500 0.167 0.000 2.312 421 R HA 0.489 4.828 4.340 -0.001 0.000 0.310 421 R C 0.967 177.315 176.300 0.080 0.000 1.064 421 R CA 0.085 56.271 56.100 0.144 0.000 0.983 421 R CB 0.308 30.690 30.300 0.135 0.000 1.139 421 R HN 1.239 nan 8.270 nan 0.000 0.536 422 G N 3.640 112.489 108.800 0.081 0.000 2.634 422 G HA2 -0.431 3.528 3.960 -0.001 0.000 0.309 422 G HA3 -0.431 3.528 3.960 -0.001 0.000 0.309 422 G C 0.333 175.266 174.900 0.054 0.000 1.265 422 G CA 0.704 45.839 45.100 0.059 0.000 0.998 422 G HN 0.676 nan 8.290 nan 0.000 0.551 423 N N 0.619 119.340 118.700 0.034 0.000 2.338 423 N HA 0.184 4.924 4.740 -0.001 0.000 0.251 423 N C 1.287 176.807 175.510 0.018 0.000 1.199 423 N CA -0.044 53.023 53.050 0.029 0.000 0.879 423 N CB 0.485 38.989 38.487 0.029 0.000 1.159 423 N HN 0.555 nan 8.380 nan 0.000 0.514 424 R N -0.517 119.981 120.500 -0.004 0.000 2.307 424 R HA 0.348 4.688 4.340 -0.001 0.000 0.200 424 R C 0.473 176.716 176.300 -0.095 0.000 0.893 424 R CA 0.420 56.497 56.100 -0.039 0.000 1.042 424 R CB 1.137 31.392 30.300 -0.076 0.000 1.059 424 R HN 0.298 nan 8.270 nan 0.000 0.530 425 G N 0.354 109.110 108.800 -0.074 0.000 2.646 425 G HA2 0.518 4.477 3.960 -0.001 0.000 0.291 425 G HA3 0.518 4.477 3.960 -0.001 0.000 0.291 425 G C -2.055 172.953 174.900 0.180 0.000 1.445 425 G CA -0.452 44.606 45.100 -0.071 0.000 0.814 425 G HN -0.001 nan 8.290 nan 0.000 0.495 426 F N 0.150 120.136 119.950 0.059 0.000 2.628 426 F HA 0.807 5.333 4.527 -0.000 0.000 0.309 426 F C -1.169 174.513 175.800 -0.196 0.000 1.108 426 F CA -0.902 57.039 58.000 -0.099 0.000 0.971 426 F CB 2.060 40.962 39.000 -0.163 0.000 1.279 426 F HN 0.544 nan 8.300 nan 0.000 0.441 427 I N 4.969 124.913 120.570 -1.042 0.000 2.802 427 I HA 0.757 4.927 4.170 -0.001 0.000 0.298 427 I C -1.844 173.560 176.117 -1.188 0.000 1.176 427 I CA -0.771 59.943 61.300 -0.977 0.000 1.025 427 I CB 2.116 39.506 38.000 -1.016 0.000 1.243 427 I HN 0.384 nan 8.210 nan 0.000 0.424 428 V N 6.341 125.665 119.914 -0.983 0.000 2.760 428 V HA 0.540 4.660 4.120 -0.001 0.000 0.309 428 V C -1.144 174.488 176.094 -0.770 0.000 1.077 428 V CA -0.545 61.263 62.300 -0.819 0.000 0.910 428 V CB 1.887 33.270 31.823 -0.732 0.000 1.008 428 V HN 0.477 nan 8.190 nan 0.000 0.424 429 F N 2.284 121.996 119.950 -0.397 0.000 2.532 429 F HA 0.596 5.123 4.527 -0.000 0.000 0.321 429 F C 0.111 175.670 175.800 -0.401 0.000 1.089 429 F CA -0.631 57.199 58.000 -0.284 0.000 0.926 429 F CB 1.991 40.845 39.000 -0.242 0.000 1.168 429 F HN 0.487 nan 8.300 nan 0.000 0.459 430 N N 1.780 120.415 118.700 -0.109 0.000 2.573 430 N HA 0.209 4.948 4.740 -0.001 0.000 0.262 430 N C -0.811 174.610 175.510 -0.147 0.000 1.029 430 N CA -0.248 52.683 53.050 -0.199 0.000 0.882 430 N CB 0.585 38.991 38.487 -0.134 0.000 1.204 430 N HN 0.561 nan 8.380 nan 0.000 0.519 431 N N 1.909 120.481 118.700 -0.212 0.000 2.200 431 N HA 0.166 4.905 4.740 -0.001 0.000 0.224 431 N C -0.909 174.428 175.510 -0.288 0.000 1.179 431 N CA -0.160 52.766 53.050 -0.208 0.000 0.877 431 N CB 0.384 38.744 38.487 -0.213 0.000 1.072 431 N HN 0.518 nan 8.380 nan 0.000 0.519 432 D N -0.401 119.723 120.400 -0.459 0.000 2.423 432 D HA 0.105 4.744 4.640 -0.001 0.000 0.255 432 D C -0.019 175.952 176.300 -0.548 0.000 1.174 432 D CA -0.043 53.503 54.000 -0.756 0.000 1.008 432 D CB 0.773 40.566 40.800 -1.679 0.000 1.101 432 D HN 0.092 nan 8.370 nan 0.000 0.516 433 D N 0.253 120.419 120.400 -0.389 0.000 2.352 433 D HA 0.107 4.747 4.640 -0.001 0.000 0.236 433 D C -0.094 176.339 176.300 0.223 0.000 1.148 433 D CA 0.040 54.050 54.000 0.017 0.000 0.844 433 D CB 0.003 40.913 40.800 0.183 0.000 0.933 433 D HN 0.317 nan 8.370 nan 0.000 0.507 434 W N -0.865 120.474 121.300 0.066 0.000 3.083 434 W HA 0.533 5.192 4.660 -0.001 0.000 0.333 434 W C -0.305 176.278 176.519 0.106 0.000 1.217 434 W CA -1.049 56.341 57.345 0.075 0.000 1.170 434 W CB 0.091 29.592 29.460 0.069 0.000 1.437 434 W HN -0.424 nan 8.180 nan 0.000 0.557 435 S N 1.504 117.388 115.700 0.306 0.000 2.569 435 S HA 0.198 4.667 4.470 -0.001 0.000 0.274 435 S C -1.058 173.725 174.600 0.306 0.000 1.353 435 S CA -0.021 58.318 58.200 0.232 0.000 1.023 435 S CB 0.143 63.458 63.200 0.193 0.000 0.876 435 S HN 0.427 nan 8.310 nan 0.000 0.540 436 F N 2.013 122.016 119.950 0.088 0.000 2.460 436 F HA 0.520 5.046 4.527 -0.001 0.000 0.341 436 F C -0.150 175.694 175.800 0.073 0.000 1.130 436 F CA -0.356 57.696 58.000 0.088 0.000 0.962 436 F CB 1.283 40.301 39.000 0.030 0.000 1.171 436 F HN 0.412 nan 8.300 nan 0.000 0.436 437 S N 7.789 123.203 115.700 -0.476 0.000 2.789 437 S HA 0.811 5.280 4.470 -0.001 0.000 0.286 437 S C -1.920 172.348 174.600 -0.553 0.000 1.153 437 S CA -0.433 57.549 58.200 -0.363 0.000 1.084 437 S CB 0.646 63.840 63.200 -0.011 0.000 1.036 437 S HN 0.792 nan 8.310 nan 0.000 0.484 438 L N 3.673 124.419 121.223 -0.795 0.000 2.724 438 L HA 0.575 4.915 4.340 -0.001 0.000 0.258 438 L C -0.832 175.841 176.870 -0.329 0.000 0.967 438 L CA 0.007 54.542 54.840 -0.508 0.000 0.891 438 L CB 2.105 43.738 42.059 -0.709 0.000 1.456 438 L HN 0.554 nan 8.230 nan 0.000 0.416 439 T N 4.017 118.544 114.554 -0.045 0.000 2.744 439 T HA 0.711 5.061 4.350 -0.001 0.000 0.291 439 T C -0.773 173.927 174.700 0.000 0.000 0.957 439 T CA -0.141 61.991 62.100 0.053 0.000 1.002 439 T CB 0.509 69.437 68.868 0.100 0.000 0.919 439 T HN 0.267 nan 8.240 nan 0.000 0.468 440 L N 3.004 124.274 121.223 0.078 0.000 2.341 440 L HA 0.522 4.861 4.340 -0.001 0.000 0.267 440 L C 0.030 176.863 176.870 -0.062 0.000 1.009 440 L CA -0.955 53.888 54.840 0.005 0.000 0.819 440 L CB 1.820 43.910 42.059 0.051 0.000 1.323 440 L HN 0.506 nan 8.230 nan 0.000 0.425 441 Q N 0.114 119.867 119.800 -0.080 0.000 2.293 441 Q HA 0.260 4.599 4.340 -0.001 0.000 0.263 441 Q C 0.673 176.466 176.000 -0.346 0.000 1.002 441 Q CA 0.727 56.456 55.803 -0.123 0.000 0.910 441 Q CB 1.029 29.752 28.738 -0.025 0.000 1.185 441 Q HN 0.770 nan 8.270 nan 0.000 0.401 442 T N 0.283 114.542 114.554 -0.491 0.000 3.015 442 T HA 0.284 4.634 4.350 -0.001 0.000 0.250 442 T C 1.296 175.793 174.700 -0.338 0.000 1.057 442 T CA 0.416 61.968 62.100 -0.912 0.000 1.066 442 T CB -0.068 68.276 68.868 -0.873 0.000 0.959 442 T HN 1.078 nan 8.240 nan 0.000 0.488 443 G N 1.162 109.865 108.800 -0.162 0.000 2.162 443 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.260 443 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.260 443 G C -0.220 174.658 174.900 -0.037 0.000 0.976 443 G CA 0.325 45.395 45.100 -0.049 0.000 0.655 443 G HN 0.591 nan 8.290 nan 0.000 0.533 444 L N 1.926 123.098 121.223 -0.085 0.000 2.399 444 L HA 0.609 4.949 4.340 -0.001 0.000 0.265 444 L C -1.268 175.627 176.870 0.042 0.000 1.089 444 L CA -2.186 52.628 54.840 -0.042 0.000 0.802 444 L CB 0.696 42.630 42.059 -0.209 0.000 1.180 444 L HN -0.044 nan 8.230 nan 0.000 0.454 445 P HA 0.156 nan 4.420 nan 0.000 0.272 445 P C -0.871 176.531 177.300 0.171 0.000 1.223 445 P CA -0.517 62.653 63.100 0.117 0.000 0.784 445 P CB 0.640 32.400 31.700 0.100 0.000 0.923 446 A N 1.633 124.512 122.820 0.099 0.000 2.547 446 A HA 0.464 4.783 4.320 -0.001 0.000 0.233 446 A C 0.879 178.513 177.584 0.084 0.000 1.067 446 A CA 1.170 53.265 52.037 0.097 0.000 0.763 446 A CB -1.100 17.927 19.000 0.046 0.000 1.007 446 A HN 0.955 nan 8.150 nan 0.000 0.506 447 G N -0.765 108.087 108.800 0.085 0.000 2.369 447 G HA2 0.429 4.389 3.960 -0.001 0.000 0.295 447 G HA3 0.429 4.389 3.960 -0.001 0.000 0.295 447 G C -0.711 174.182 174.900 -0.011 0.000 1.298 447 G CA -0.210 44.863 45.100 -0.044 0.000 0.940 447 G HN 1.118 nan 8.290 nan 0.000 0.536 448 T N 1.079 115.542 114.554 -0.152 0.000 2.758 448 T HA 0.649 4.999 4.350 -0.001 0.000 0.285 448 T C -1.112 173.411 174.700 -0.295 0.000 0.981 448 T CA 0.044 62.066 62.100 -0.130 0.000 0.965 448 T CB 0.707 69.553 68.868 -0.037 0.000 0.927 448 T HN 0.411 nan 8.240 nan 0.000 0.448 449 Y N 0.527 120.702 120.300 -0.209 0.000 2.446 449 Y HA 0.457 5.007 4.550 -0.001 0.000 0.338 449 Y C 0.519 176.300 175.900 -0.197 0.000 1.055 449 Y CA -1.198 56.797 58.100 -0.175 0.000 1.101 449 Y CB 0.975 39.354 38.460 -0.134 0.000 1.221 449 Y HN 0.554 nan 8.280 nan 0.000 0.460 450 c N 2.120 120.713 118.600 -0.012 0.000 2.435 450 c HA 0.197 4.767 4.570 -0.001 0.000 0.375 450 c C 0.282 174.346 174.090 -0.042 0.000 1.281 450 c CA -0.715 55.581 56.329 -0.056 0.000 1.963 450 c CB -0.417 42.054 42.510 -0.065 0.000 2.490 450 c HN 0.787 nan 8.230 nan 0.000 0.557 451 D N 1.471 121.840 120.400 -0.052 0.000 2.348 451 D HA 0.196 4.836 4.640 -0.001 0.000 0.253 451 D C 0.957 177.224 176.300 -0.055 0.000 1.161 451 D CA -0.335 53.635 54.000 -0.050 0.000 0.876 451 D CB 1.036 41.797 40.800 -0.066 0.000 1.160 451 D HN 0.415 nan 8.370 nan 0.000 0.459 452 V N 2.364 122.257 119.914 -0.036 0.000 3.623 452 V HA 0.035 4.155 4.120 -0.001 0.000 0.271 452 V C 1.483 177.545 176.094 -0.054 0.000 1.248 452 V CA 0.224 62.524 62.300 0.000 0.000 1.156 452 V CB -0.663 31.235 31.823 0.126 0.000 0.870 452 V HN 0.531 nan 8.190 nan 0.000 0.453 453 I N 2.153 122.621 120.570 -0.170 0.000 2.429 453 I HA -0.016 4.154 4.170 -0.001 0.000 0.247 453 I C 2.714 178.726 176.117 -0.175 0.000 1.099 453 I CA 1.883 63.022 61.300 -0.270 0.000 1.422 453 I CB -1.146 36.459 38.000 -0.660 0.000 1.112 453 I HN 0.562 nan 8.210 nan 0.000 0.430 454 S N -0.128 115.478 115.700 -0.157 0.000 2.496 454 S HA 0.264 4.734 4.470 -0.001 0.000 0.224 454 S C 1.056 175.623 174.600 -0.055 0.000 0.996 454 S CA 0.428 58.570 58.200 -0.097 0.000 0.927 454 S CB -0.048 63.099 63.200 -0.088 0.000 0.774 454 S HN 0.449 nan 8.310 nan 0.000 0.524 455 G N -0.317 108.454 108.800 -0.047 0.000 2.753 455 G HA2 0.552 4.511 3.960 -0.001 0.000 0.303 455 G HA3 0.552 4.511 3.960 -0.001 0.000 0.303 455 G C -2.223 172.674 174.900 -0.006 0.000 1.242 455 G CA -0.591 44.495 45.100 -0.022 0.000 0.810 455 G HN 0.191 nan 8.290 nan 0.000 0.515 456 D N -0.484 119.916 120.400 -0.001 0.000 2.570 456 D HA 0.316 4.956 4.640 -0.001 0.000 0.244 456 D C -1.020 175.278 176.300 -0.005 0.000 1.178 456 D CA -0.560 53.446 54.000 0.011 0.000 0.881 456 D CB 2.715 43.531 40.800 0.028 0.000 1.453 456 D HN 0.268 nan 8.370 nan 0.000 0.447 457 K N 2.129 122.526 120.400 -0.005 0.000 2.300 457 K HA 0.360 4.679 4.320 -0.001 0.000 0.264 457 K C -0.866 175.729 176.600 -0.008 0.000 1.083 457 K CA -0.319 55.956 56.287 -0.020 0.000 0.958 457 K CB -0.119 32.358 32.500 -0.038 0.000 1.318 457 K HN 0.404 nan 8.250 nan 0.000 0.448 458 I N 4.639 125.205 120.570 -0.007 0.000 2.339 458 I HA 0.072 4.242 4.170 -0.001 0.000 0.290 458 I C 0.273 176.386 176.117 -0.007 0.000 0.994 458 I CA -0.739 60.560 61.300 -0.001 0.000 1.191 458 I CB 1.070 39.073 38.000 0.005 0.000 1.343 458 I HN 0.725 nan 8.210 nan 0.000 0.458 459 N N 4.612 123.309 118.700 -0.006 0.000 2.684 459 N HA -0.270 4.470 4.740 -0.001 0.000 0.284 459 N C 0.786 176.288 175.510 -0.014 0.000 1.067 459 N CA 0.370 53.415 53.050 -0.009 0.000 0.791 459 N CB -1.096 37.388 38.487 -0.004 0.000 0.934 459 N HN 1.166 nan 8.380 nan 0.000 0.566 460 G N -0.252 108.535 108.800 -0.022 0.000 2.205 460 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.261 460 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.261 460 G C -0.090 174.793 174.900 -0.028 0.000 0.980 460 G CA 0.629 45.713 45.100 -0.027 0.000 0.632 460 G HN 0.735 nan 8.290 nan 0.000 0.533 461 N N -1.025 117.660 118.700 -0.025 0.000 2.455 461 N HA 0.580 5.319 4.740 -0.001 0.000 0.278 461 N C -0.645 174.849 175.510 -0.027 0.000 1.291 461 N CA 0.119 53.155 53.050 -0.024 0.000 0.780 461 N CB 1.692 40.171 38.487 -0.014 0.000 1.520 461 N HN 0.181 nan 8.380 nan 0.000 0.486 462 c N 0.299 118.880 118.600 -0.031 0.000 2.358 462 c HA 0.409 4.979 4.570 -0.001 0.000 0.342 462 c C 1.944 176.020 174.090 -0.023 0.000 1.234 462 c CA -0.534 55.775 56.329 -0.034 0.000 1.969 462 c CB 0.534 43.012 42.510 -0.053 0.000 2.346 462 c HN 0.828 nan 8.230 nan 0.000 0.525 463 T N -0.920 113.623 114.554 -0.018 0.000 3.107 463 T HA 0.367 4.716 4.350 -0.001 0.000 0.249 463 T C 0.736 175.426 174.700 -0.016 0.000 1.096 463 T CA 0.555 62.648 62.100 -0.012 0.000 1.012 463 T CB 0.067 68.932 68.868 -0.004 0.000 0.977 463 T HN 0.911 nan 8.240 nan 0.000 0.527 464 G N 0.716 109.501 108.800 -0.026 0.000 3.195 464 G HA2 0.637 4.597 3.960 -0.001 0.000 0.217 464 G HA3 0.637 4.597 3.960 -0.001 0.000 0.217 464 G C -0.786 174.091 174.900 -0.039 0.000 1.166 464 G CA -1.226 43.855 45.100 -0.031 0.000 0.812 464 G HN 0.389 nan 8.290 nan 0.000 0.617 465 I N 0.811 121.353 120.570 -0.047 0.000 2.813 465 I HA 0.146 4.316 4.170 -0.001 0.000 0.287 465 I C -0.019 176.043 176.117 -0.092 0.000 1.196 465 I CA 0.661 61.928 61.300 -0.055 0.000 1.421 465 I CB 0.636 38.608 38.000 -0.047 0.000 1.365 465 I HN 0.206 nan 8.210 nan 0.000 0.591 466 K N 6.089 126.404 120.400 -0.142 0.000 2.324 466 K HA 0.611 4.930 4.320 -0.001 0.000 0.253 466 K C -1.213 175.111 176.600 -0.460 0.000 0.932 466 K CA -0.717 55.398 56.287 -0.288 0.000 0.799 466 K CB 2.318 34.624 32.500 -0.325 0.000 1.154 466 K HN 0.295 nan 8.250 nan 0.000 0.425 467 I N 2.857 123.144 120.570 -0.472 0.000 2.493 467 I HA 0.317 4.487 4.170 -0.001 0.000 0.298 467 I C -0.790 174.995 176.117 -0.554 0.000 0.998 467 I CA -0.926 60.089 61.300 -0.475 0.000 1.137 467 I CB 1.144 38.965 38.000 -0.298 0.000 1.310 467 I HN 0.546 nan 8.210 nan 0.000 0.445 468 Y N 4.169 124.415 120.300 -0.091 0.000 2.334 468 Y HA 0.474 5.024 4.550 -0.001 0.000 0.336 468 Y C 0.147 176.020 175.900 -0.045 0.000 0.960 468 Y CA -0.916 57.164 58.100 -0.034 0.000 1.164 468 Y CB 1.678 40.106 38.460 -0.054 0.000 1.155 468 Y HN 0.153 nan 8.280 nan 0.000 0.478 469 V N 3.910 123.918 119.914 0.157 0.000 2.394 469 V HA 0.373 4.493 4.120 -0.001 0.000 0.282 469 V C 0.280 176.424 176.094 0.084 0.000 1.031 469 V CA -0.797 61.556 62.300 0.088 0.000 0.881 469 V CB 1.131 33.031 31.823 0.128 0.000 0.982 469 V HN 0.934 nan 8.190 nan 0.000 0.451 470 S N 2.855 118.577 115.700 0.036 0.000 2.632 470 S HA 0.192 4.662 4.470 -0.001 0.000 0.267 470 S C 0.807 175.419 174.600 0.020 0.000 1.193 470 S CA -0.344 57.870 58.200 0.023 0.000 1.003 470 S CB 0.561 63.763 63.200 0.003 0.000 1.073 470 S HN 0.669 nan 8.310 nan 0.000 0.553 471 D N 1.326 121.732 120.400 0.010 0.000 2.178 471 D HA -0.065 4.575 4.640 -0.001 0.000 0.202 471 D C 0.818 177.121 176.300 0.006 0.000 0.974 471 D CA 1.494 55.499 54.000 0.009 0.000 0.841 471 D CB -0.520 40.282 40.800 0.003 0.000 0.953 471 D HN 0.801 nan 8.370 nan 0.000 0.478 472 D N -1.022 119.378 120.400 0.001 0.000 2.325 472 D HA 0.207 4.846 4.640 -0.001 0.000 0.234 472 D C 1.438 177.730 176.300 -0.012 0.000 1.122 472 D CA 0.406 54.405 54.000 -0.002 0.000 0.850 472 D CB -0.074 40.725 40.800 -0.002 0.000 0.921 472 D HN 0.159 nan 8.370 nan 0.000 0.513 473 G N 0.005 108.796 108.800 -0.015 0.000 2.184 473 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.264 473 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.264 473 G C 0.323 175.177 174.900 -0.078 0.000 0.975 473 G CA 0.240 45.314 45.100 -0.044 0.000 0.642 473 G HN 0.454 nan 8.290 nan 0.000 0.536 474 K N 0.454 120.824 120.400 -0.049 0.000 2.168 474 K HA 0.685 5.005 4.320 -0.001 0.000 0.258 474 K C 0.274 176.842 176.600 -0.053 0.000 1.010 474 K CA 0.395 56.651 56.287 -0.051 0.000 0.929 474 K CB 1.319 33.805 32.500 -0.023 0.000 0.998 474 K HN 0.902 nan 8.250 nan 0.000 0.479 475 A N 1.393 124.179 122.820 -0.057 0.000 2.605 475 A HA 0.286 4.605 4.320 -0.001 0.000 0.294 475 A C -1.957 175.505 177.584 -0.204 0.000 1.062 475 A CA -0.723 51.223 52.037 -0.152 0.000 0.682 475 A CB 1.005 19.836 19.000 -0.281 0.000 1.278 475 A HN 0.837 nan 8.150 nan 0.000 0.410 476 H N 0.205 119.053 119.070 -0.370 0.000 2.489 476 H HA 0.725 5.281 4.556 -0.001 0.000 0.322 476 H C -1.570 173.457 175.328 -0.501 0.000 1.091 476 H CA -0.199 55.681 56.048 -0.281 0.000 1.291 476 H CB 0.495 30.168 29.762 -0.148 0.000 1.436 476 H HN 0.413 nan 8.280 nan 0.000 0.480 477 F N 2.434 122.059 119.950 -0.541 0.000 2.507 477 F HA 0.383 4.910 4.527 -0.001 0.000 0.325 477 F C -0.056 175.553 175.800 -0.319 0.000 1.116 477 F CA -0.685 57.178 58.000 -0.228 0.000 0.930 477 F CB 2.134 41.179 39.000 0.075 0.000 1.146 477 F HN 0.418 nan 8.300 nan 0.000 0.447 478 S N 4.616 120.365 115.700 0.082 0.000 2.707 478 S HA 0.784 5.253 4.470 -0.001 0.000 0.303 478 S C -1.102 173.611 174.600 0.189 0.000 1.132 478 S CA -0.392 57.875 58.200 0.112 0.000 1.046 478 S CB 0.278 63.559 63.200 0.135 0.000 1.004 478 S HN 0.522 nan 8.310 nan 0.000 0.483 479 I N 3.593 124.315 120.570 0.253 0.000 2.497 479 I HA 0.294 4.464 4.170 -0.001 0.000 0.284 479 I C 0.215 176.427 176.117 0.159 0.000 1.060 479 I CA -0.595 60.815 61.300 0.183 0.000 1.071 479 I CB 1.942 40.037 38.000 0.158 0.000 1.216 479 I HN 0.554 nan 8.210 nan 0.000 0.442 480 S N 4.275 120.042 115.700 0.111 0.000 2.572 480 S HA 0.073 4.542 4.470 -0.001 0.000 0.279 480 S C 1.367 176.012 174.600 0.074 0.000 1.341 480 S CA -0.462 57.797 58.200 0.098 0.000 1.043 480 S CB 0.530 63.778 63.200 0.079 0.000 0.887 480 S HN 0.767 nan 8.310 nan 0.000 0.516 481 N N 2.755 121.494 118.700 0.065 0.000 2.521 481 N HA -0.019 4.721 4.740 -0.001 0.000 0.188 481 N C 0.523 176.055 175.510 0.037 0.000 1.146 481 N CA 0.224 53.290 53.050 0.027 0.000 0.893 481 N CB -0.096 38.395 38.487 0.008 0.000 0.975 481 N HN 0.365 nan 8.380 nan 0.000 0.451 482 S N -0.361 115.369 115.700 0.049 0.000 2.540 482 S HA 0.324 4.794 4.470 -0.001 0.000 0.218 482 S C 0.881 175.505 174.600 0.040 0.000 0.977 482 S CA -0.429 57.797 58.200 0.044 0.000 0.918 482 S CB 0.300 63.528 63.200 0.046 0.000 0.806 482 S HN 0.607 nan 8.310 nan 0.000 0.496 483 A N 2.334 125.180 122.820 0.043 0.000 2.520 483 A HA 0.124 4.444 4.320 -0.001 0.000 0.235 483 A C 1.377 178.985 177.584 0.040 0.000 1.065 483 A CA -0.147 51.913 52.037 0.038 0.000 0.764 483 A CB 0.234 19.257 19.000 0.039 0.000 1.002 483 A HN 0.554 nan 8.150 nan 0.000 0.502 484 E N 0.890 121.106 120.200 0.028 0.000 2.106 484 E HA -0.123 4.227 4.350 -0.001 0.000 0.192 484 E C -0.688 175.948 176.600 0.061 0.000 0.984 484 E CA 1.066 57.484 56.400 0.031 0.000 0.806 484 E CB -0.109 29.596 29.700 0.008 0.000 0.750 484 E HN 0.614 nan 8.360 nan 0.000 0.458 485 D N 2.149 122.583 120.400 0.057 0.000 2.454 485 D HA 0.145 4.785 4.640 -0.001 0.000 0.247 485 D C -2.176 174.204 176.300 0.134 0.000 1.129 485 D CA -1.740 52.334 54.000 0.123 0.000 0.877 485 D CB 1.684 42.474 40.800 -0.016 0.000 1.082 485 D HN 0.074 nan 8.370 nan 0.000 0.537 486 P HA 0.073 nan 4.420 nan 0.000 0.261 486 P C -0.778 176.679 177.300 0.261 0.000 1.650 486 P CA -0.134 63.071 63.100 0.174 0.000 0.846 486 P CB -0.838 30.925 31.700 0.105 0.000 1.758 487 F N -1.488 118.394 119.950 -0.114 0.000 2.665 487 F HA 0.606 5.133 4.527 -0.000 0.000 0.308 487 F C -1.705 173.930 175.800 -0.275 0.000 1.112 487 F CA -2.223 55.606 58.000 -0.284 0.000 0.972 487 F CB 0.586 39.326 39.000 -0.434 0.000 1.295 487 F HN -0.305 nan 8.300 nan 0.000 0.440 488 I N 2.545 122.891 120.570 -0.372 0.000 2.569 488 I HA 0.835 5.005 4.170 -0.001 0.000 0.296 488 I C -0.622 175.290 176.117 -0.342 0.000 1.028 488 I CA -1.225 59.880 61.300 -0.325 0.000 1.082 488 I CB 2.034 40.005 38.000 -0.048 0.000 1.264 488 I HN 1.012 nan 8.210 nan 0.000 0.429 489 A N 7.328 129.993 122.820 -0.257 0.000 2.398 489 A HA 0.899 5.219 4.320 -0.001 0.000 0.301 489 A C -0.882 176.738 177.584 0.059 0.000 1.041 489 A CA -0.485 51.460 52.037 -0.154 0.000 0.711 489 A CB 1.371 20.199 19.000 -0.287 0.000 1.240 489 A HN 0.731 nan 8.150 nan 0.000 0.420 490 I N 0.069 120.742 120.570 0.172 0.000 2.769 490 I HA 0.916 5.085 4.170 -0.001 0.000 0.298 490 I C -0.716 175.488 176.117 0.146 0.000 1.128 490 I CA -0.914 60.442 61.300 0.092 0.000 1.031 490 I CB 2.356 40.329 38.000 -0.046 0.000 1.235 490 I HN 0.937 nan 8.210 nan 0.000 0.423 491 H N 2.884 122.003 119.070 0.082 0.000 2.990 491 H HA 0.764 5.320 4.556 -0.001 0.000 0.343 491 H C 0.555 175.951 175.328 0.113 0.000 1.270 491 H CA -0.394 55.628 56.048 -0.043 0.000 1.118 491 H CB 1.308 30.911 29.762 -0.265 0.000 1.861 491 H HN 0.677 nan 8.280 nan 0.000 0.544 492 A N 0.345 123.298 122.820 0.222 0.000 1.940 492 A HA -0.247 4.073 4.320 -0.001 0.000 0.221 492 A C 1.653 179.336 177.584 0.164 0.000 1.190 492 A CA 2.106 54.271 52.037 0.214 0.000 0.647 492 A CB -0.755 18.313 19.000 0.114 0.000 0.821 492 A HN 0.771 nan 8.150 nan 0.000 0.457 493 E N -0.045 120.327 120.200 0.285 0.000 2.511 493 E HA -0.031 4.318 4.350 -0.001 0.000 0.196 493 E C 1.620 178.206 176.600 -0.023 0.000 1.066 493 E CA 0.917 57.422 56.400 0.175 0.000 0.871 493 E CB -0.148 29.722 29.700 0.284 0.000 0.863 493 E HN 0.766 nan 8.360 nan 0.000 0.520 494 S N -0.280 115.245 115.700 -0.292 0.000 2.554 494 S HA 0.135 4.605 4.470 -0.001 0.000 0.226 494 S C 0.698 175.218 174.600 -0.132 0.000 0.980 494 S CA -0.481 57.557 58.200 -0.270 0.000 0.939 494 S CB 0.210 63.124 63.200 -0.477 0.000 0.832 494 S HN -0.051 nan 8.310 nan 0.000 0.486 495 K N 1.691 121.994 120.400 -0.161 0.000 2.298 495 K HA 0.372 4.691 4.320 -0.001 0.000 0.280 495 K C -0.130 176.291 176.600 -0.298 0.000 1.032 495 K CA -0.523 55.479 56.287 -0.475 0.000 0.958 495 K CB 0.452 32.531 32.500 -0.702 0.000 0.978 495 K HN 0.307 nan 8.250 nan 0.000 0.472 496 L N 0.000 121.046 121.223 -0.296 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 496 L CA 0.000 54.736 54.840 -0.173 0.000 0.813 496 L CB 0.000 41.981 42.059 -0.131 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502