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 2h21_1_A DATA FIRST_RESID 50 DATA SEQUENCE LSPAVQTFWK WLQEEGVITA KTPVKASVVT EGLGLVALKD ISRNDVILQV DATA SEQUENCE PKRLWINPDA VAASEIGRVC SELKPWLSVI LFLIRERSRE DSVWKHYFGI DATA SEQUENCE LPQETDSTIY WSEEELQELQ GSQLLKTTVS VKEYVKNECL KLEQEIILPN DATA SEQUENCE KRLFPDPVTL DDFFWAFGIL RSRAFSRLXX XNLVVVPMAD LINHSAGVTT DATA SEQUENCE EDHAYEVXXX XXXXXXXYLF SLKSPLSVKA GEQVYIQYDL NKSNAELALD DATA SEQUENCE YGFIEPNENR HAYTLTLEIS ESDPFFDDKL DVAESNGFAQ TAYFDIFYNR DATA SEQUENCE TLPPGLLPYL RLVALGGTDA FLLESLFRDT IWGHLELSVS RDNEELLCKA DATA SEQUENCE VREACKSALA GYHTTIEQDR ELKEGNLDSR LAIAVGIREG EKMVLQQIDG DATA SEQUENCE IFEQKELELD QLEYYQERRL KDLGLCGENG DILENLY 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 50 L HA 0.000 nan 4.340 nan 0.000 0.249 50 L C 0.000 176.861 176.870 -0.015 0.000 1.165 50 L CA 0.000 54.826 54.840 -0.024 0.000 0.813 50 L CB 0.000 42.029 42.059 -0.050 0.000 0.961 51 S N -1.076 114.622 115.700 -0.005 0.000 2.558 51 S HA 0.475 4.945 4.470 -0.000 0.000 0.277 51 S C -2.560 172.055 174.600 0.026 0.000 1.143 51 S CA -0.601 57.602 58.200 0.006 0.000 0.865 51 S CB 1.743 64.941 63.200 -0.003 0.000 1.102 51 S HN 0.081 nan 8.310 nan 0.000 0.454 52 P HA -0.015 nan 4.420 nan 0.000 0.208 52 P C 1.535 178.866 177.300 0.052 0.000 1.195 52 P CA 2.397 65.517 63.100 0.033 0.000 0.927 52 P CB -0.093 31.618 31.700 0.018 0.000 0.778 53 A N -0.725 122.122 122.820 0.045 0.000 1.958 53 A HA -0.219 4.101 4.320 -0.000 0.000 0.221 53 A C 2.335 180.011 177.584 0.153 0.000 1.178 53 A CA 2.329 54.408 52.037 0.071 0.000 0.642 53 A CB -1.914 17.111 19.000 0.042 0.000 0.816 53 A HN 0.043 nan 8.150 nan 0.000 0.453 54 V N -0.434 119.550 119.914 0.115 0.000 2.237 54 V HA -0.347 3.773 4.120 -0.000 0.000 0.245 54 V C 2.617 178.861 176.094 0.250 0.000 1.046 54 V CA 2.320 64.714 62.300 0.156 0.000 1.007 54 V CB -1.130 30.705 31.823 0.020 0.000 0.638 54 V HN 0.658 nan 8.190 nan 0.000 0.445 55 Q N -0.216 119.680 119.800 0.159 0.000 2.112 55 Q HA -0.232 4.108 4.340 -0.000 0.000 0.206 55 Q C 2.322 178.485 176.000 0.272 0.000 0.987 55 Q CA 2.335 58.254 55.803 0.194 0.000 0.858 55 Q CB -0.457 28.353 28.738 0.121 0.000 0.905 55 Q HN 0.662 nan 8.270 nan 0.000 0.420 56 T N 0.311 115.001 114.554 0.226 0.000 2.821 56 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 56 T C 1.276 176.216 174.700 0.399 0.000 1.046 56 T CA 0.944 63.169 62.100 0.209 0.000 1.139 56 T CB -0.287 68.597 68.868 0.027 0.000 0.871 56 T HN 0.259 nan 8.240 nan 0.000 0.454 57 F N 0.231 120.382 119.950 0.335 0.000 2.146 57 F HA 0.062 4.589 4.527 -0.000 0.000 0.298 57 F C 2.162 178.356 175.800 0.656 0.000 1.096 57 F CA 0.756 59.067 58.000 0.519 0.000 1.275 57 F CB -0.332 38.932 39.000 0.439 0.000 1.008 57 F HN 0.246 nan 8.300 nan 0.000 0.480 58 W N 1.288 122.762 121.300 0.290 0.000 2.355 58 W HA -0.253 4.407 4.660 -0.000 0.000 0.309 58 W C 2.277 178.838 176.519 0.071 0.000 1.206 58 W CA 0.920 58.350 57.345 0.142 0.000 1.284 58 W CB -0.058 29.502 29.460 0.166 0.000 1.145 58 W HN -0.118 nan 8.180 nan 0.000 0.502 59 K N -0.236 120.358 120.400 0.324 0.000 1.991 59 K HA -0.267 4.053 4.320 -0.000 0.000 0.212 59 K C 1.436 178.114 176.600 0.130 0.000 1.049 59 K CA 1.956 58.353 56.287 0.183 0.000 0.932 59 K CB -1.644 30.988 32.500 0.219 0.000 0.717 59 K HN 0.332 nan 8.250 nan 0.000 0.441 60 W N 2.151 123.490 121.300 0.065 0.000 2.313 60 W HA -0.209 4.451 4.660 -0.000 0.000 0.293 60 W C 1.652 178.078 176.519 -0.154 0.000 1.216 60 W CA 1.517 58.858 57.345 -0.006 0.000 1.223 60 W CB -0.337 29.162 29.460 0.065 0.000 1.138 60 W HN 0.018 nan 8.180 nan 0.000 0.535 61 L N -0.187 120.787 121.223 -0.415 0.000 2.270 61 L HA -0.126 4.213 4.340 -0.000 0.000 0.210 61 L C 2.600 179.178 176.870 -0.485 0.000 1.104 61 L CA 0.990 55.442 54.840 -0.646 0.000 0.804 61 L CB -0.813 40.908 42.059 -0.563 0.000 0.937 61 L HN 0.050 nan 8.230 nan 0.000 0.450 62 Q N 0.103 119.692 119.800 -0.353 0.000 2.046 62 Q HA -0.213 4.127 4.340 -0.000 0.000 0.200 62 Q C 1.972 177.838 176.000 -0.224 0.000 0.975 62 Q CA 1.419 57.060 55.803 -0.270 0.000 0.836 62 Q CB -0.011 28.617 28.738 -0.184 0.000 0.896 62 Q HN 0.343 nan 8.270 nan 0.000 0.428 63 E N 0.558 120.637 120.200 -0.202 0.000 2.274 63 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 63 E C 1.423 177.881 176.600 -0.237 0.000 0.996 63 E CA 0.570 56.871 56.400 -0.166 0.000 0.840 63 E CB 0.147 29.794 29.700 -0.089 0.000 0.772 63 E HN 0.205 nan 8.360 nan 0.000 0.491 64 E N -0.656 119.308 120.200 -0.392 0.000 2.511 64 E HA 0.008 4.358 4.350 -0.000 0.000 0.196 64 E C 1.197 177.612 176.600 -0.308 0.000 1.066 64 E CA 0.686 56.825 56.400 -0.436 0.000 0.871 64 E CB 0.276 29.512 29.700 -0.774 0.000 0.863 64 E HN 0.354 nan 8.360 nan 0.000 0.520 65 G N 0.434 109.077 108.800 -0.262 0.000 2.205 65 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.261 65 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.261 65 G C 1.330 176.112 174.900 -0.197 0.000 0.980 65 G CA 0.589 45.572 45.100 -0.195 0.000 0.632 65 G HN 0.250 nan 8.290 nan 0.000 0.533 66 V N 0.648 120.408 119.914 -0.256 0.000 2.220 66 V HA 0.073 4.192 4.120 -0.000 0.000 0.246 66 V C 1.852 177.820 176.094 -0.209 0.000 1.049 66 V CA 2.093 64.263 62.300 -0.218 0.000 1.003 66 V CB -0.335 31.321 31.823 -0.277 0.000 0.634 66 V HN 0.601 nan 8.190 nan 0.000 0.444 67 I N -0.147 120.242 120.570 -0.302 0.000 2.577 67 I HA 0.500 4.670 4.170 -0.000 0.000 0.305 67 I C 0.186 176.136 176.117 -0.279 0.000 0.986 67 I CA 0.037 61.138 61.300 -0.331 0.000 1.189 67 I CB 1.888 39.531 38.000 -0.596 0.000 1.355 67 I HN 0.527 nan 8.210 nan 0.000 0.476 68 T N 2.165 116.590 114.554 -0.216 0.000 2.654 68 T HA 0.505 4.855 4.350 -0.000 0.000 0.289 68 T C 0.266 174.897 174.700 -0.114 0.000 1.062 68 T CA -0.167 61.842 62.100 -0.151 0.000 1.041 68 T CB 1.168 69.974 68.868 -0.103 0.000 1.417 68 T HN 0.541 nan 8.240 nan 0.000 0.510 69 A N -0.303 122.477 122.820 -0.066 0.000 2.252 69 A HA 0.225 4.545 4.320 -0.000 0.000 0.207 69 A C 1.907 179.482 177.584 -0.015 0.000 1.194 69 A CA 0.750 52.770 52.037 -0.028 0.000 0.809 69 A CB -0.800 18.193 19.000 -0.012 0.000 0.814 69 A HN 0.789 nan 8.150 nan 0.000 0.482 70 K N 0.467 120.849 120.400 -0.030 0.000 2.242 70 K HA -0.023 4.297 4.320 -0.000 0.000 0.200 70 K C 0.523 177.121 176.600 -0.004 0.000 1.050 70 K CA 1.030 57.308 56.287 -0.016 0.000 0.981 70 K CB -0.072 32.413 32.500 -0.024 0.000 0.795 70 K HN 0.470 nan 8.250 nan 0.000 0.477 71 T N 1.898 116.443 114.554 -0.015 0.000 2.853 71 T HA 0.132 4.482 4.350 -0.000 0.000 0.298 71 T C -1.772 172.961 174.700 0.055 0.000 0.978 71 T CA -1.379 60.728 62.100 0.012 0.000 1.152 71 T CB 1.092 69.948 68.868 -0.020 0.000 0.914 71 T HN 0.093 nan 8.240 nan 0.000 0.539 72 P HA 0.336 nan 4.420 nan 0.000 0.243 72 P C -0.481 176.881 177.300 0.102 0.000 1.668 72 P CA -0.199 62.946 63.100 0.074 0.000 0.898 72 P CB -0.076 31.657 31.700 0.055 0.000 1.637 73 V N 0.352 120.360 119.914 0.156 0.000 3.098 73 V HA 0.555 4.675 4.120 -0.000 0.000 0.294 73 V C -1.764 174.543 176.094 0.355 0.000 1.351 73 V CA -0.868 61.551 62.300 0.197 0.000 0.999 73 V CB 2.889 34.822 31.823 0.184 0.000 1.104 73 V HN 0.263 nan 8.190 nan 0.000 0.438 74 K N 4.803 125.361 120.400 0.263 0.000 2.444 74 K HA 0.981 5.300 4.320 -0.000 0.000 0.252 74 K C -0.446 176.070 176.600 -0.141 0.000 0.993 74 K CA -0.168 56.253 56.287 0.224 0.000 0.847 74 K CB 2.149 34.730 32.500 0.136 0.000 1.340 74 K HN 1.261 nan 8.250 nan 0.000 0.446 75 A N 0.711 123.134 122.820 -0.662 0.000 2.407 75 A HA 0.528 4.848 4.320 -0.000 0.000 0.248 75 A C -0.328 177.082 177.584 -0.289 0.000 1.082 75 A CA -0.081 51.644 52.037 -0.520 0.000 0.785 75 A CB 0.364 18.909 19.000 -0.758 0.000 1.020 75 A HN 0.657 nan 8.150 nan 0.000 0.489 76 S N 0.059 115.655 115.700 -0.174 0.000 2.565 76 S HA 0.488 4.957 4.470 -0.000 0.000 0.269 76 S C -1.190 173.362 174.600 -0.079 0.000 1.153 76 S CA -0.534 57.599 58.200 -0.113 0.000 0.835 76 S CB 1.283 64.433 63.200 -0.084 0.000 1.122 76 S HN 0.973 nan 8.310 nan 0.000 0.462 77 V N 3.989 123.869 119.914 -0.057 0.000 2.408 77 V HA 0.510 4.630 4.120 -0.000 0.000 0.267 77 V C 0.395 176.473 176.094 -0.027 0.000 1.047 77 V CA -0.217 62.060 62.300 -0.037 0.000 0.937 77 V CB 0.274 32.080 31.823 -0.027 0.000 0.999 77 V HN 0.721 nan 8.190 nan 0.000 0.472 78 V N 1.870 121.772 119.914 -0.020 0.000 3.113 78 V HA 0.571 4.691 4.120 -0.000 0.000 0.316 78 V C 1.317 177.414 176.094 0.005 0.000 1.125 78 V CA 0.051 62.344 62.300 -0.011 0.000 1.026 78 V CB 1.408 33.219 31.823 -0.021 0.000 1.080 78 V HN 0.765 nan 8.190 nan 0.000 0.444 79 T N -1.259 113.302 114.554 0.012 0.000 2.849 79 T HA -0.174 4.176 4.350 -0.000 0.000 0.270 79 T C 1.001 175.714 174.700 0.021 0.000 1.066 79 T CA 1.791 63.900 62.100 0.015 0.000 1.130 79 T CB -0.544 68.332 68.868 0.012 0.000 0.864 79 T HN 0.948 nan 8.240 nan 0.000 0.481 80 E N 1.594 121.809 120.200 0.024 0.000 2.445 80 E HA 0.388 4.738 4.350 -0.000 0.000 0.189 80 E C 1.426 178.055 176.600 0.048 0.000 1.069 80 E CA 0.407 56.826 56.400 0.032 0.000 0.871 80 E CB -0.399 29.314 29.700 0.021 0.000 0.991 80 E HN 0.711 nan 8.360 nan 0.000 0.481 81 G N 1.242 110.062 108.800 0.033 0.000 3.050 81 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.234 81 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.234 81 G C -0.648 174.257 174.900 0.009 0.000 1.521 81 G CA -0.261 44.856 45.100 0.029 0.000 1.090 81 G HN 0.186 nan 8.290 nan 0.000 0.556 82 L N 1.657 122.886 121.223 0.010 0.000 2.325 82 L HA 0.768 5.108 4.340 -0.000 0.000 0.278 82 L C 0.819 177.688 176.870 -0.001 0.000 1.023 82 L CA -0.089 54.743 54.840 -0.013 0.000 0.811 82 L CB 1.804 43.848 42.059 -0.024 0.000 1.249 82 L HN 1.169 nan 8.230 nan 0.000 0.431 83 G N 2.061 110.843 108.800 -0.030 0.000 2.687 83 G HA2 0.618 4.578 3.960 -0.000 0.000 0.291 83 G HA3 0.618 4.578 3.960 -0.000 0.000 0.291 83 G C -1.654 173.217 174.900 -0.048 0.000 1.420 83 G CA -0.724 44.354 45.100 -0.037 0.000 0.796 83 G HN 0.344 nan 8.290 nan 0.000 0.485 84 L N 1.186 122.380 121.223 -0.048 0.000 2.262 84 L HA 0.460 4.800 4.340 -0.000 0.000 0.288 84 L C -0.363 176.470 176.870 -0.061 0.000 1.035 84 L CA -0.848 53.988 54.840 -0.008 0.000 0.820 84 L CB 1.460 43.566 42.059 0.078 0.000 1.204 84 L HN 0.106 nan 8.230 nan 0.000 0.424 85 V N 3.075 122.963 119.914 -0.043 0.000 2.407 85 V HA 0.422 4.542 4.120 -0.000 0.000 0.278 85 V C 0.749 176.847 176.094 0.007 0.000 1.037 85 V CA -0.631 61.643 62.300 -0.044 0.000 0.900 85 V CB 1.601 33.398 31.823 -0.043 0.000 0.983 85 V HN 0.859 nan 8.190 nan 0.000 0.459 86 A N 4.935 127.757 122.820 0.004 0.000 2.511 86 A HA 0.371 4.691 4.320 -0.000 0.000 0.242 86 A C 0.852 178.460 177.584 0.039 0.000 1.069 86 A CA 0.041 52.097 52.037 0.031 0.000 0.763 86 A CB 0.082 19.095 19.000 0.021 0.000 1.001 86 A HN 0.920 nan 8.150 nan 0.000 0.498 87 L N 0.220 121.478 121.223 0.059 0.000 2.477 87 L HA 0.198 4.538 4.340 -0.000 0.000 0.220 87 L C 0.695 177.591 176.870 0.045 0.000 1.106 87 L CA 0.750 55.625 54.840 0.059 0.000 0.851 87 L CB -0.012 42.097 42.059 0.084 0.000 0.994 87 L HN 0.731 nan 8.230 nan 0.000 0.462 88 K N -0.705 119.720 120.400 0.040 0.000 2.568 88 K HA 0.225 4.545 4.320 -0.000 0.000 0.273 88 K C -1.564 175.053 176.600 0.028 0.000 0.951 88 K CA -0.682 55.624 56.287 0.032 0.000 0.854 88 K CB 1.156 33.674 32.500 0.031 0.000 1.424 88 K HN -0.281 nan 8.250 nan 0.000 0.427 89 D N 2.486 122.899 120.400 0.022 0.000 2.554 89 D HA 0.039 4.678 4.640 -0.000 0.000 0.251 89 D C -0.164 176.148 176.300 0.021 0.000 1.213 89 D CA 0.946 54.958 54.000 0.019 0.000 0.900 89 D CB -0.222 40.587 40.800 0.016 0.000 1.135 89 D HN 0.340 nan 8.370 nan 0.000 0.522 90 I N 1.635 122.218 120.570 0.023 0.000 2.428 90 I HA 0.193 4.363 4.170 -0.000 0.000 0.296 90 I C 0.656 176.786 176.117 0.021 0.000 0.985 90 I CA -0.618 60.697 61.300 0.025 0.000 1.260 90 I CB 1.440 39.458 38.000 0.031 0.000 1.389 90 I HN 0.160 nan 8.210 nan 0.000 0.484 91 S N 4.374 120.085 115.700 0.019 0.000 2.690 91 S HA 0.436 4.906 4.470 -0.000 0.000 0.291 91 S C -0.021 174.588 174.600 0.016 0.000 1.138 91 S CA -0.756 57.453 58.200 0.015 0.000 1.013 91 S CB 1.475 64.682 63.200 0.011 0.000 1.053 91 S HN 0.530 nan 8.310 nan 0.000 0.539 92 R N 1.175 121.682 120.500 0.012 0.000 2.697 92 R HA -0.028 4.312 4.340 -0.000 0.000 0.265 92 R C 0.256 176.561 176.300 0.009 0.000 1.009 92 R CA 0.522 56.629 56.100 0.011 0.000 1.099 92 R CB -0.121 30.183 30.300 0.006 0.000 0.965 92 R HN 0.716 nan 8.270 nan 0.000 0.428 93 N N 1.148 119.856 118.700 0.013 0.000 2.765 93 N HA -0.228 4.512 4.740 -0.000 0.000 0.248 93 N C -1.203 174.311 175.510 0.007 0.000 1.063 93 N CA 1.673 54.726 53.050 0.006 0.000 0.862 93 N CB -0.658 37.822 38.487 -0.012 0.000 1.145 93 N HN 0.623 nan 8.380 nan 0.000 0.581 94 D N 0.385 120.795 120.400 0.017 0.000 2.339 94 D HA 0.211 4.851 4.640 -0.000 0.000 0.256 94 D C 0.213 176.532 176.300 0.032 0.000 1.214 94 D CA -0.128 53.884 54.000 0.020 0.000 0.877 94 D CB 0.935 41.749 40.800 0.023 0.000 1.111 94 D HN -0.095 nan 8.370 nan 0.000 0.478 95 V N 4.425 124.357 119.914 0.030 0.000 2.599 95 V HA -0.033 4.087 4.120 -0.000 0.000 0.300 95 V C 1.665 177.789 176.094 0.050 0.000 1.034 95 V CA 0.388 62.713 62.300 0.042 0.000 1.115 95 V CB 0.292 32.140 31.823 0.041 0.000 0.934 95 V HN 0.511 nan 8.190 nan 0.000 0.485 96 I N 3.227 123.837 120.570 0.066 0.000 4.035 96 I HA 0.477 4.647 4.170 -0.000 0.000 0.321 96 I C 0.079 176.247 176.117 0.084 0.000 1.289 96 I CA 0.156 61.502 61.300 0.078 0.000 1.236 96 I CB 0.526 38.584 38.000 0.096 0.000 1.076 96 I HN 0.509 nan 8.210 nan 0.000 0.418 97 L N -1.024 120.248 121.223 0.083 0.000 2.789 97 L HA 0.633 4.973 4.340 -0.000 0.000 0.258 97 L C -1.644 175.275 176.870 0.082 0.000 0.966 97 L CA -0.589 54.300 54.840 0.081 0.000 0.916 97 L CB 1.470 43.603 42.059 0.122 0.000 1.475 97 L HN 0.082 nan 8.230 nan 0.000 0.418 98 Q N 0.848 120.692 119.800 0.074 0.000 2.389 98 Q HA 0.897 5.237 4.340 -0.000 0.000 0.277 98 Q C -1.652 174.427 176.000 0.133 0.000 1.082 98 Q CA -1.080 54.784 55.803 0.101 0.000 0.810 98 Q CB 3.545 32.324 28.738 0.068 0.000 1.374 98 Q HN 0.590 nan 8.270 nan 0.000 0.422 99 V N 2.092 122.159 119.914 0.255 0.000 2.789 99 V HA 0.467 4.587 4.120 -0.000 0.000 0.311 99 V C -2.515 173.840 176.094 0.436 0.000 1.073 99 V CA -2.146 60.342 62.300 0.314 0.000 0.921 99 V CB 2.174 34.216 31.823 0.365 0.000 1.009 99 V HN 0.636 nan 8.190 nan 0.000 0.426 100 P HA 0.204 nan 4.420 nan 0.000 0.276 100 P C 0.330 177.223 177.300 -0.678 0.000 1.235 100 P CA -0.395 62.620 63.100 -0.142 0.000 0.772 100 P CB 0.583 32.201 31.700 -0.136 0.000 0.871 101 K N 3.734 123.341 120.400 -1.322 0.000 2.589 101 K HA -0.185 4.135 4.320 -0.000 0.000 0.195 101 K C 1.599 177.564 176.600 -1.059 0.000 1.042 101 K CA 0.845 55.686 56.287 -2.410 0.000 0.940 101 K CB -0.077 31.573 32.500 -1.417 0.000 0.776 101 K HN 0.239 nan 8.250 nan 0.000 0.487 102 R N 0.650 120.847 120.500 -0.506 0.000 2.316 102 R HA -0.037 4.303 4.340 -0.000 0.000 0.202 102 R C 0.889 177.256 176.300 0.110 0.000 1.029 102 R CA 0.691 56.694 56.100 -0.163 0.000 1.018 102 R CB 0.120 30.340 30.300 -0.134 0.000 0.888 102 R HN 0.306 nan 8.270 nan 0.000 0.471 103 L N -0.513 120.832 121.223 0.204 0.000 2.858 103 L HA 0.269 4.609 4.340 -0.000 0.000 0.251 103 L C 0.622 177.876 176.870 0.639 0.000 1.149 103 L CA -0.548 54.715 54.840 0.704 0.000 0.955 103 L CB 0.047 42.436 42.059 0.551 0.000 1.289 103 L HN 0.135 nan 8.230 nan 0.000 0.542 104 W N 0.889 122.205 121.300 0.027 0.000 1.645 104 W HA 0.172 4.832 4.660 -0.000 0.000 0.351 104 W C 0.352 176.627 176.519 -0.407 0.000 1.568 104 W CA -0.450 56.778 57.345 -0.194 0.000 1.739 104 W CB 0.550 29.936 29.460 -0.123 0.000 1.441 104 W HN -0.156 nan 8.180 nan 0.000 0.759 105 I N 2.013 122.513 120.570 -0.117 0.000 2.775 105 I HA -0.059 4.111 4.170 -0.000 0.000 0.275 105 I C -0.532 175.479 176.117 -0.176 0.000 1.690 105 I CA -0.386 60.733 61.300 -0.302 0.000 0.789 105 I CB -0.322 37.391 38.000 -0.477 0.000 1.701 105 I HN 0.377 nan 8.210 nan 0.000 0.542 106 N N 2.148 120.778 118.700 -0.118 0.000 3.091 106 N HA 0.571 5.311 4.740 -0.000 0.000 0.329 106 N C -2.643 172.820 175.510 -0.078 0.000 1.430 106 N CA -1.726 51.288 53.050 -0.061 0.000 0.755 106 N CB 0.844 39.339 38.487 0.013 0.000 1.626 106 N HN -0.233 nan 8.380 nan 0.000 0.614 107 P HA 0.051 nan 4.420 nan 0.000 0.236 107 P C -0.218 177.070 177.300 -0.020 0.000 1.172 107 P CA 1.143 64.236 63.100 -0.013 0.000 0.759 107 P CB 0.121 31.834 31.700 0.022 0.000 0.843 108 D N -2.122 118.267 120.400 -0.019 0.000 2.389 108 D HA 0.148 4.788 4.640 -0.000 0.000 0.206 108 D C 1.782 178.060 176.300 -0.038 0.000 1.055 108 D CA 0.278 54.275 54.000 -0.005 0.000 0.856 108 D CB 0.018 40.841 40.800 0.038 0.000 0.957 108 D HN -0.023 nan 8.370 nan 0.000 0.509 109 A N -0.023 122.727 122.820 -0.117 0.000 1.942 109 A HA 0.068 4.388 4.320 -0.000 0.000 0.209 109 A C 2.206 179.593 177.584 -0.329 0.000 1.214 109 A CA 0.884 52.811 52.037 -0.183 0.000 0.686 109 A CB -0.644 18.214 19.000 -0.237 0.000 0.871 109 A HN 0.139 nan 8.150 nan 0.000 0.460 110 V N -1.490 118.129 119.914 -0.491 0.000 2.261 110 V HA -0.129 3.991 4.120 -0.000 0.000 0.246 110 V C 2.494 178.592 176.094 0.008 0.000 1.047 110 V CA 2.172 64.295 62.300 -0.295 0.000 1.015 110 V CB -1.615 30.139 31.823 -0.115 0.000 0.642 110 V HN 0.497 nan 8.190 nan 0.000 0.446 111 A N 0.846 123.664 122.820 -0.003 0.000 1.978 111 A HA 0.114 4.434 4.320 -0.000 0.000 0.220 111 A C 2.188 179.799 177.584 0.044 0.000 1.170 111 A CA 2.054 54.111 52.037 0.033 0.000 0.636 111 A CB -1.019 17.994 19.000 0.020 0.000 0.810 111 A HN 1.304 nan 8.150 nan 0.000 0.448 112 A N -0.113 122.728 122.820 0.035 0.000 2.412 112 A HA 0.490 4.810 4.320 -0.000 0.000 0.253 112 A C 0.914 178.555 177.584 0.096 0.000 1.334 112 A CA 0.602 52.670 52.037 0.052 0.000 0.929 112 A CB -0.781 18.241 19.000 0.036 0.000 0.983 112 A HN 0.813 nan 8.150 nan 0.000 0.508 113 S N -1.866 113.914 115.700 0.133 0.000 2.671 113 S HA 0.432 4.902 4.470 -0.000 0.000 0.299 113 S C 0.525 175.207 174.600 0.136 0.000 1.116 113 S CA -0.244 58.076 58.200 0.200 0.000 0.912 113 S CB 0.922 64.371 63.200 0.415 0.000 1.130 113 S HN 0.298 nan 8.310 nan 0.000 0.501 114 E N 0.451 120.716 120.200 0.108 0.000 2.147 114 E HA -0.185 4.165 4.350 -0.000 0.000 0.199 114 E C 1.520 178.135 176.600 0.025 0.000 1.005 114 E CA 1.968 58.393 56.400 0.042 0.000 0.810 114 E CB -0.684 29.016 29.700 -0.001 0.000 0.736 114 E HN 0.769 nan 8.360 nan 0.000 0.460 115 I N -2.685 117.917 120.570 0.053 0.000 3.684 115 I HA 0.233 4.403 4.170 -0.000 0.000 0.304 115 I C 1.920 178.104 176.117 0.111 0.000 1.278 115 I CA 0.302 61.633 61.300 0.051 0.000 1.272 115 I CB -0.084 37.960 38.000 0.073 0.000 1.029 115 I HN -0.070 nan 8.210 nan 0.000 0.458 116 G N 2.248 111.113 108.800 0.108 0.000 2.476 116 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 116 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 116 G C 1.729 176.670 174.900 0.068 0.000 1.164 116 G CA 0.557 45.711 45.100 0.090 0.000 0.768 116 G HN 0.295 nan 8.290 nan 0.000 0.560 117 R N 0.417 120.950 120.500 0.055 0.000 2.082 117 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 117 R C 2.888 179.218 176.300 0.049 0.000 1.136 117 R CA 1.770 57.896 56.100 0.043 0.000 0.935 117 R CB -1.610 28.710 30.300 0.033 0.000 0.842 117 R HN 0.539 nan 8.270 nan 0.000 0.430 118 V N -1.743 118.210 119.914 0.065 0.000 2.626 118 V HA -0.145 3.975 4.120 -0.000 0.000 0.252 118 V C 2.225 178.368 176.094 0.082 0.000 1.067 118 V CA 1.448 63.797 62.300 0.081 0.000 1.081 118 V CB -0.955 30.943 31.823 0.125 0.000 0.686 118 V HN 0.177 nan 8.190 nan 0.000 0.468 119 C N 1.453 120.808 119.300 0.091 0.000 2.696 119 C HA 0.133 4.593 4.460 -0.000 0.000 0.264 119 C C 3.095 178.106 174.990 0.036 0.000 1.288 119 C CA 0.488 59.548 59.018 0.071 0.000 1.717 119 C CB -0.989 26.817 27.740 0.109 0.000 1.893 119 C HN 0.814 nan 8.230 nan 0.000 0.577 120 S N 1.978 117.701 115.700 0.038 0.000 2.413 120 S HA -0.264 4.206 4.470 -0.000 0.000 0.237 120 S C 1.187 175.793 174.600 0.011 0.000 1.044 120 S CA 2.035 60.250 58.200 0.025 0.000 1.024 120 S CB -0.333 62.882 63.200 0.025 0.000 0.829 120 S HN 0.646 nan 8.310 nan 0.000 0.475 121 E N 0.432 120.633 120.200 0.003 0.000 2.452 121 E HA 0.415 4.765 4.350 -0.000 0.000 0.197 121 E C 0.182 176.762 176.600 -0.033 0.000 1.022 121 E CA -0.131 56.263 56.400 -0.010 0.000 0.890 121 E CB 0.044 29.738 29.700 -0.009 0.000 0.918 121 E HN 0.563 nan 8.360 nan 0.000 0.496 122 L N 1.370 122.565 121.223 -0.047 0.000 2.417 122 L HA 0.192 4.532 4.340 -0.000 0.000 0.268 122 L C 0.538 177.338 176.870 -0.118 0.000 1.158 122 L CA -0.441 54.337 54.840 -0.104 0.000 0.819 122 L CB 0.626 42.614 42.059 -0.120 0.000 1.112 122 L HN -0.126 nan 8.230 nan 0.000 0.458 123 K N 3.452 123.734 120.400 -0.197 0.000 2.469 123 K HA -0.020 4.300 4.320 -0.000 0.000 0.274 123 K C -1.305 175.201 176.600 -0.157 0.000 0.983 123 K CA -0.944 55.238 56.287 -0.175 0.000 0.974 123 K CB 0.396 32.732 32.500 -0.273 0.000 0.913 123 K HN 0.393 nan 8.250 nan 0.000 0.493 124 P HA -0.244 nan 4.420 nan 0.000 0.217 124 P C 1.105 178.487 177.300 0.136 0.000 1.158 124 P CA 1.925 65.072 63.100 0.078 0.000 0.887 124 P CB -0.234 31.542 31.700 0.127 0.000 0.792 125 W N 0.395 121.725 121.300 0.050 0.000 2.407 125 W HA -0.012 4.648 4.660 -0.000 0.000 0.305 125 W C 2.089 178.662 176.519 0.091 0.000 1.196 125 W CA 0.175 57.562 57.345 0.069 0.000 1.311 125 W CB -1.883 27.630 29.460 0.089 0.000 1.135 125 W HN -0.160 nan 8.180 nan 0.000 0.514 126 L N 1.658 122.566 121.223 -0.525 0.000 2.081 126 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 126 L C 3.101 179.885 176.870 -0.143 0.000 1.080 126 L CA 2.135 56.655 54.840 -0.534 0.000 0.754 126 L CB -1.017 40.563 42.059 -0.800 0.000 0.893 126 L HN 0.082 nan 8.230 nan 0.000 0.433 127 S N -0.577 115.078 115.700 -0.076 0.000 2.368 127 S HA -0.129 4.341 4.470 -0.000 0.000 0.225 127 S C 1.878 176.579 174.600 0.168 0.000 1.030 127 S CA 1.301 59.532 58.200 0.051 0.000 0.999 127 S CB -0.065 63.157 63.200 0.038 0.000 0.844 127 S HN 0.220 nan 8.310 nan 0.000 0.459 128 V N 1.987 122.007 119.914 0.177 0.000 2.548 128 V HA -0.073 4.047 4.120 -0.000 0.000 0.249 128 V C 2.188 178.483 176.094 0.334 0.000 1.055 128 V CA 1.380 63.826 62.300 0.243 0.000 1.065 128 V CB -0.694 31.236 31.823 0.178 0.000 0.681 128 V HN 0.479 nan 8.190 nan 0.000 0.462 129 I N -0.079 120.673 120.570 0.303 0.000 2.127 129 I HA -0.274 3.896 4.170 -0.000 0.000 0.241 129 I C 2.428 178.767 176.117 0.372 0.000 1.075 129 I CA 1.777 63.285 61.300 0.347 0.000 1.334 129 I CB -0.406 37.794 38.000 0.333 0.000 1.040 129 I HN 0.249 nan 8.210 nan 0.000 0.405 130 L N -0.210 121.198 121.223 0.309 0.000 1.990 130 L HA -0.280 4.060 4.340 -0.000 0.000 0.213 130 L C 2.663 179.792 176.870 0.433 0.000 1.072 130 L CA 1.660 56.703 54.840 0.339 0.000 0.755 130 L CB -0.848 41.385 42.059 0.290 0.000 0.889 130 L HN 0.197 nan 8.230 nan 0.000 0.432 131 F N 0.527 120.661 119.950 0.307 0.000 2.154 131 F HA -0.259 4.268 4.527 -0.000 0.000 0.301 131 F C 2.261 178.282 175.800 0.368 0.000 1.087 131 F CA 1.508 59.694 58.000 0.311 0.000 1.274 131 F CB -0.124 39.027 39.000 0.251 0.000 1.009 131 F HN -0.100 nan 8.300 nan 0.000 0.485 132 L N -0.297 121.229 121.223 0.505 0.000 2.027 132 L HA -0.236 4.104 4.340 -0.000 0.000 0.206 132 L C 2.442 179.531 176.870 0.365 0.000 1.074 132 L CA 1.472 56.630 54.840 0.530 0.000 0.745 132 L CB -0.600 41.764 42.059 0.508 0.000 0.898 132 L HN 0.164 nan 8.230 nan 0.000 0.433 133 I N -0.703 120.070 120.570 0.338 0.000 2.142 133 I HA -0.337 3.833 4.170 -0.000 0.000 0.240 133 I C 2.807 178.948 176.117 0.039 0.000 1.078 133 I CA 1.279 62.669 61.300 0.151 0.000 1.343 133 I CB -0.403 37.703 38.000 0.176 0.000 1.046 133 I HN 0.231 nan 8.210 nan 0.000 0.405 134 R N 0.978 121.557 120.500 0.132 0.000 2.080 134 R HA -0.202 4.138 4.340 -0.000 0.000 0.236 134 R C 2.257 178.562 176.300 0.008 0.000 1.137 134 R CA 1.686 57.839 56.100 0.088 0.000 0.943 134 R CB -0.104 30.265 30.300 0.117 0.000 0.846 134 R HN 0.258 nan 8.270 nan 0.000 0.431 135 E N 0.164 120.360 120.200 -0.006 0.000 2.204 135 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 135 E C 1.890 178.689 176.600 0.332 0.000 0.990 135 E CA 0.783 57.296 56.400 0.189 0.000 0.821 135 E CB -0.219 29.732 29.700 0.418 0.000 0.750 135 E HN 0.365 nan 8.360 nan 0.000 0.477 136 R N 0.593 121.071 120.500 -0.038 0.000 2.066 136 R HA -0.084 4.256 4.340 -0.000 0.000 0.232 136 R C 2.320 178.540 176.300 -0.135 0.000 1.131 136 R CA 1.568 57.429 56.100 -0.399 0.000 0.955 136 R CB 0.066 29.905 30.300 -0.768 0.000 0.851 136 R HN 0.024 nan 8.270 nan 0.000 0.432 137 S N 0.685 116.321 115.700 -0.107 0.000 2.343 137 S HA -0.071 4.399 4.470 -0.000 0.000 0.219 137 S C 0.507 175.100 174.600 -0.012 0.000 1.033 137 S CA 0.749 58.907 58.200 -0.070 0.000 1.014 137 S CB -0.304 62.862 63.200 -0.057 0.000 0.915 137 S HN 0.353 nan 8.310 nan 0.000 0.435 138 R N 2.643 123.151 120.500 0.012 0.000 2.638 138 R HA -0.040 4.300 4.340 -0.000 0.000 0.351 138 R C -0.019 176.305 176.300 0.041 0.000 0.871 138 R CA 0.272 56.385 56.100 0.021 0.000 1.091 138 R CB -0.254 30.059 30.300 0.022 0.000 0.900 138 R HN 0.521 nan 8.270 nan 0.000 0.405 139 E N 2.762 122.977 120.200 0.026 0.000 2.322 139 E HA -0.099 4.251 4.350 -0.000 0.000 0.195 139 E C 0.238 176.858 176.600 0.032 0.000 1.198 139 E CA 0.262 56.684 56.400 0.036 0.000 1.132 139 E CB 0.035 29.749 29.700 0.023 0.000 1.213 139 E HN 0.630 nan 8.360 nan 0.000 0.450 140 D N -1.749 118.664 120.400 0.021 0.000 2.368 140 D HA -0.065 4.575 4.640 -0.000 0.000 0.305 140 D C 0.673 176.947 176.300 -0.043 0.000 1.143 140 D CA -0.175 53.822 54.000 -0.005 0.000 0.847 140 D CB -0.330 40.466 40.800 -0.008 0.000 1.357 140 D HN -0.057 nan 8.370 nan 0.000 0.526 141 S N 0.466 116.152 115.700 -0.023 0.000 2.553 141 S HA 0.016 4.486 4.470 -0.000 0.000 0.271 141 S C 1.701 176.147 174.600 -0.258 0.000 1.362 141 S CA 0.052 58.203 58.200 -0.082 0.000 1.010 141 S CB 1.001 64.250 63.200 0.081 0.000 0.865 141 S HN 0.077 nan 8.310 nan 0.000 0.543 142 V N 2.438 122.024 119.914 -0.547 0.000 2.548 142 V HA -0.089 4.031 4.120 -0.000 0.000 0.249 142 V C 1.165 176.775 176.094 -0.807 0.000 1.055 142 V CA 1.376 63.240 62.300 -0.726 0.000 1.065 142 V CB -0.807 30.377 31.823 -1.065 0.000 0.681 142 V HN 0.926 nan 8.190 nan 0.000 0.462 143 W N 0.487 121.692 121.300 -0.158 0.000 3.387 143 W HA 0.337 4.997 4.660 -0.000 0.000 0.403 143 W C 1.826 178.176 176.519 -0.282 0.000 1.073 143 W CA -0.512 56.599 57.345 -0.390 0.000 1.866 143 W CB -0.450 28.604 29.460 -0.678 0.000 0.981 143 W HN 0.095 nan 8.180 nan 0.000 0.802 144 K N 0.497 120.804 120.400 -0.155 0.000 1.973 144 K HA -0.224 4.096 4.320 -0.000 0.000 0.212 144 K C 1.684 178.406 176.600 0.204 0.000 1.047 144 K CA 1.813 58.148 56.287 0.081 0.000 0.937 144 K CB -0.131 32.376 32.500 0.012 0.000 0.721 144 K HN 0.143 nan 8.250 nan 0.000 0.440 145 H N -1.174 117.765 119.070 -0.218 0.000 2.457 145 H HA -0.102 4.454 4.556 -0.000 0.000 0.294 145 H C 1.703 177.165 175.328 0.223 0.000 1.064 145 H CA 1.318 57.353 56.048 -0.021 0.000 1.330 145 H CB -0.643 29.061 29.762 -0.096 0.000 1.395 145 H HN 0.367 nan 8.280 nan 0.000 0.541 146 Y N 0.675 121.044 120.300 0.116 0.000 2.070 146 Y HA -0.204 4.346 4.550 -0.000 0.000 0.279 146 Y C 2.096 178.075 175.900 0.131 0.000 1.134 146 Y CA 1.399 59.623 58.100 0.208 0.000 1.113 146 Y CB -1.038 37.513 38.460 0.152 0.000 0.981 146 Y HN 0.083 nan 8.280 nan 0.000 0.487 147 F N 0.378 120.410 119.950 0.136 0.000 2.192 147 F HA -0.231 4.295 4.527 -0.000 0.000 0.301 147 F C 2.513 178.309 175.800 -0.006 0.000 1.079 147 F CA 0.635 58.660 58.000 0.042 0.000 1.303 147 F CB -0.655 38.493 39.000 0.247 0.000 1.024 147 F HN 0.283 nan 8.300 nan 0.000 0.494 148 G N -0.226 108.700 108.800 0.209 0.000 2.509 148 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 148 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 148 G C 1.465 176.381 174.900 0.026 0.000 1.124 148 G CA 0.498 45.665 45.100 0.112 0.000 0.776 148 G HN 0.236 nan 8.290 nan 0.000 0.547 149 I N 0.561 121.086 120.570 -0.076 0.000 2.731 149 I HA 0.227 4.397 4.170 -0.000 0.000 0.260 149 I C 1.433 177.459 176.117 -0.152 0.000 1.138 149 I CA -0.100 61.095 61.300 -0.175 0.000 1.461 149 I CB -0.825 36.912 38.000 -0.438 0.000 1.128 149 I HN 0.032 nan 8.210 nan 0.000 0.438 150 L N 2.766 123.880 121.223 -0.181 0.000 2.573 150 L HA -0.050 4.290 4.340 -0.000 0.000 0.290 150 L C -1.951 174.945 176.870 0.043 0.000 1.247 150 L CA -0.792 54.000 54.840 -0.081 0.000 0.876 150 L CB -0.589 41.485 42.059 0.024 0.000 1.123 150 L HN -0.034 nan 8.230 nan 0.000 0.505 151 P HA 0.087 nan 4.420 nan 0.000 0.278 151 P C -0.028 177.347 177.300 0.126 0.000 1.238 151 P CA -0.522 62.614 63.100 0.061 0.000 0.794 151 P CB 0.691 32.418 31.700 0.046 0.000 0.955 152 Q N 0.870 120.726 119.800 0.093 0.000 2.226 152 Q HA -0.063 4.277 4.340 -0.000 0.000 0.204 152 Q C 0.384 176.400 176.000 0.027 0.000 0.975 152 Q CA 1.508 57.377 55.803 0.109 0.000 0.866 152 Q CB 0.216 28.962 28.738 0.013 0.000 0.915 152 Q HN 0.617 nan 8.270 nan 0.000 0.440 153 E N -1.488 118.672 120.200 -0.067 0.000 2.447 153 E HA 0.309 4.659 4.350 -0.000 0.000 0.279 153 E C -1.067 175.519 176.600 -0.022 0.000 1.053 153 E CA -0.208 56.025 56.400 -0.279 0.000 0.840 153 E CB 1.811 31.318 29.700 -0.322 0.000 1.409 153 E HN 0.098 nan 8.360 nan 0.000 0.461 154 T N -2.510 112.133 114.554 0.147 0.000 2.693 154 T HA 0.368 4.718 4.350 -0.000 0.000 0.278 154 T C -0.277 174.659 174.700 0.394 0.000 0.994 154 T CA -0.676 61.596 62.100 0.288 0.000 1.033 154 T CB 0.899 69.964 68.868 0.328 0.000 1.342 154 T HN 0.262 nan 8.240 nan 0.000 0.538 155 D N 1.048 121.667 120.400 0.365 0.000 2.342 155 D HA 0.194 4.834 4.640 -0.000 0.000 0.221 155 D C 0.675 177.284 176.300 0.515 0.000 1.101 155 D CA 0.105 54.381 54.000 0.460 0.000 0.837 155 D CB 0.297 41.319 40.800 0.372 0.000 0.938 155 D HN 0.519 nan 8.370 nan 0.000 0.508 156 S N 0.438 116.304 115.700 0.276 0.000 2.558 156 S HA -0.037 4.433 4.470 -0.000 0.000 0.288 156 S C 1.828 176.260 174.600 -0.281 0.000 1.318 156 S CA 0.105 58.265 58.200 -0.068 0.000 1.056 156 S CB 0.893 63.946 63.200 -0.245 0.000 0.853 156 S HN 0.317 nan 8.310 nan 0.000 0.505 157 T N 3.343 117.473 114.554 -0.707 0.000 2.946 157 T HA -0.161 4.189 4.350 -0.000 0.000 0.271 157 T C 1.745 176.049 174.700 -0.660 0.000 1.104 157 T CA 1.410 62.751 62.100 -1.264 0.000 1.114 157 T CB -0.929 67.260 68.868 -1.131 0.000 0.867 157 T HN 0.832 nan 8.240 nan 0.000 0.513 158 I N -2.586 117.642 120.570 -0.571 0.000 2.916 158 I HA 0.020 4.190 4.170 -0.000 0.000 0.267 158 I C 1.599 177.439 176.117 -0.461 0.000 1.263 158 I CA 0.934 61.865 61.300 -0.616 0.000 1.471 158 I CB -0.616 36.923 38.000 -0.768 0.000 1.089 158 I HN 0.182 nan 8.210 nan 0.000 0.468 159 Y N -0.970 119.328 120.300 -0.003 0.000 2.442 159 Y HA 0.223 4.773 4.550 -0.000 0.000 0.250 159 Y C 0.658 176.712 175.900 0.258 0.000 1.113 159 Y CA -1.208 56.969 58.100 0.129 0.000 1.273 159 Y CB 0.041 38.608 38.460 0.177 0.000 1.138 159 Y HN 0.074 nan 8.280 nan 0.000 0.522 160 W N 2.828 124.183 121.300 0.091 0.000 2.231 160 W HA 0.079 4.739 4.660 -0.000 0.000 0.341 160 W C 1.141 177.686 176.519 0.043 0.000 1.298 160 W CA -0.533 56.846 57.345 0.058 0.000 1.266 160 W CB 0.185 29.655 29.460 0.016 0.000 1.172 160 W HN -0.027 nan 8.180 nan 0.000 0.568 161 S N 0.975 116.807 115.700 0.219 0.000 2.633 161 S HA 0.026 4.496 4.470 -0.000 0.000 0.257 161 S C 1.062 175.741 174.600 0.131 0.000 1.265 161 S CA 0.054 58.334 58.200 0.132 0.000 0.980 161 S CB 0.833 64.070 63.200 0.061 0.000 1.017 161 S HN 0.497 nan 8.310 nan 0.000 0.577 162 E N 0.499 120.748 120.200 0.083 0.000 2.152 162 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 162 E C 1.681 178.312 176.600 0.052 0.000 0.983 162 E CA 1.422 57.862 56.400 0.066 0.000 0.818 162 E CB -0.437 29.289 29.700 0.043 0.000 0.758 162 E HN 0.743 nan 8.360 nan 0.000 0.467 163 E N 0.639 120.859 120.200 0.033 0.000 2.047 163 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 163 E C 2.003 178.613 176.600 0.017 0.000 0.987 163 E CA 1.408 57.814 56.400 0.009 0.000 0.799 163 E CB -0.263 29.432 29.700 -0.008 0.000 0.752 163 E HN 0.360 nan 8.360 nan 0.000 0.449 164 E N 0.514 120.722 120.200 0.013 0.000 2.097 164 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 164 E C 1.975 178.704 176.600 0.216 0.000 1.000 164 E CA 0.952 57.334 56.400 -0.030 0.000 0.804 164 E CB -0.201 29.396 29.700 -0.171 0.000 0.740 164 E HN 0.229 nan 8.360 nan 0.000 0.454 165 L N 0.575 121.973 121.223 0.293 0.000 2.291 165 L HA -0.166 4.174 4.340 -0.000 0.000 0.214 165 L C 2.289 179.253 176.870 0.156 0.000 1.120 165 L CA 0.743 55.767 54.840 0.307 0.000 0.799 165 L CB -0.178 41.985 42.059 0.173 0.000 0.925 165 L HN 0.141 nan 8.230 nan 0.000 0.446 166 Q N -0.339 119.504 119.800 0.071 0.000 2.291 166 Q HA -0.229 4.111 4.340 -0.000 0.000 0.205 166 Q C 1.769 177.728 176.000 -0.068 0.000 0.970 166 Q CA 0.961 56.741 55.803 -0.037 0.000 0.876 166 Q CB 0.062 28.750 28.738 -0.084 0.000 0.935 166 Q HN 0.264 nan 8.270 nan 0.000 0.455 167 E N 0.311 120.558 120.200 0.079 0.000 2.418 167 E HA -0.047 4.303 4.350 -0.000 0.000 0.197 167 E C 0.686 177.476 176.600 0.317 0.000 1.026 167 E CA 0.594 57.118 56.400 0.206 0.000 0.862 167 E CB 0.221 30.028 29.700 0.177 0.000 0.799 167 E HN 0.280 nan 8.360 nan 0.000 0.518 168 L N 0.584 121.953 121.223 0.243 0.000 2.818 168 L HA 0.197 4.537 4.340 -0.000 0.000 0.243 168 L C 0.545 177.480 176.870 0.109 0.000 1.185 168 L CA -0.299 54.662 54.840 0.203 0.000 0.988 168 L CB 0.080 42.221 42.059 0.137 0.000 1.292 168 L HN 0.078 nan 8.230 nan 0.000 0.519 169 Q N 0.978 120.834 119.800 0.093 0.000 2.308 169 Q HA 0.004 4.344 4.340 -0.000 0.000 0.313 169 Q C 1.246 177.187 176.000 -0.098 0.000 1.075 169 Q CA 1.230 57.033 55.803 0.000 0.000 0.995 169 Q CB 0.402 29.113 28.738 -0.045 0.000 1.107 169 Q HN 0.458 nan 8.270 nan 0.000 0.380 170 G N 2.774 111.446 108.800 -0.213 0.000 2.205 170 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.261 170 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.261 170 G C 0.060 174.587 174.900 -0.623 0.000 0.980 170 G CA 0.431 45.254 45.100 -0.460 0.000 0.632 170 G HN 1.093 nan 8.290 nan 0.000 0.533 171 S N -0.276 115.230 115.700 -0.323 0.000 2.565 171 S HA 0.521 4.991 4.470 -0.000 0.000 0.274 171 S C 1.153 175.727 174.600 -0.044 0.000 1.309 171 S CA 0.676 58.844 58.200 -0.053 0.000 1.043 171 S CB 1.932 65.200 63.200 0.113 0.000 0.939 171 S HN 0.542 nan 8.310 nan 0.000 0.504 172 Q N 0.923 120.720 119.800 -0.006 0.000 2.135 172 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 172 Q C 1.815 177.714 176.000 -0.169 0.000 0.981 172 Q CA 1.527 57.226 55.803 -0.173 0.000 0.856 172 Q CB -0.314 28.125 28.738 -0.498 0.000 0.902 172 Q HN 0.853 nan 8.270 nan 0.000 0.425 173 L N 0.607 121.750 121.223 -0.134 0.000 2.043 173 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 173 L C 2.088 178.847 176.870 -0.184 0.000 1.075 173 L CA 1.633 56.373 54.840 -0.166 0.000 0.752 173 L CB -0.847 41.124 42.059 -0.146 0.000 0.891 173 L HN 0.404 nan 8.230 nan 0.000 0.432 174 L N -0.223 120.915 121.223 -0.141 0.000 1.994 174 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 174 L C 2.502 179.293 176.870 -0.133 0.000 1.071 174 L CA 1.878 56.635 54.840 -0.138 0.000 0.745 174 L CB -0.922 41.086 42.059 -0.086 0.000 0.892 174 L HN 0.292 nan 8.230 nan 0.000 0.431 175 K N -1.224 119.106 120.400 -0.117 0.000 2.074 175 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 175 K C 1.904 178.430 176.600 -0.123 0.000 1.048 175 K CA 2.120 58.345 56.287 -0.104 0.000 0.926 175 K CB -0.545 31.898 32.500 -0.094 0.000 0.713 175 K HN 0.426 nan 8.250 nan 0.000 0.444 176 T N 0.620 115.080 114.554 -0.157 0.000 2.737 176 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 176 T C 2.156 176.744 174.700 -0.186 0.000 1.038 176 T CA 2.016 64.009 62.100 -0.178 0.000 1.144 176 T CB -0.493 68.251 68.868 -0.208 0.000 0.866 176 T HN 0.532 nan 8.240 nan 0.000 0.434 177 T N 1.046 115.473 114.554 -0.211 0.000 2.720 177 T HA -0.103 4.247 4.350 -0.000 0.000 0.268 177 T C 2.036 176.617 174.700 -0.198 0.000 1.037 177 T CA 1.209 63.163 62.100 -0.242 0.000 1.144 177 T CB -1.046 67.634 68.868 -0.313 0.000 0.864 177 T HN 0.177 nan 8.240 nan 0.000 0.444 178 V N 1.885 121.708 119.914 -0.151 0.000 2.233 178 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 178 V C 3.111 179.159 176.094 -0.077 0.000 1.050 178 V CA 2.273 64.512 62.300 -0.102 0.000 1.010 178 V CB -1.212 30.568 31.823 -0.071 0.000 0.637 178 V HN 0.545 nan 8.190 nan 0.000 0.444 179 S N -0.134 115.521 115.700 -0.076 0.000 2.368 179 S HA -0.233 4.237 4.470 -0.000 0.000 0.226 179 S C 1.973 176.549 174.600 -0.041 0.000 1.044 179 S CA 1.862 60.031 58.200 -0.050 0.000 1.062 179 S CB -0.452 62.699 63.200 -0.082 0.000 0.931 179 S HN 0.369 nan 8.310 nan 0.000 0.440 180 V N 1.565 121.413 119.914 -0.109 0.000 2.343 180 V HA -0.187 3.932 4.120 -0.000 0.000 0.247 180 V C 2.333 178.355 176.094 -0.121 0.000 1.051 180 V CA 1.653 63.873 62.300 -0.133 0.000 1.036 180 V CB -0.531 31.185 31.823 -0.178 0.000 0.654 180 V HN 0.404 nan 8.190 nan 0.000 0.451 181 K N -0.249 120.067 120.400 -0.141 0.000 2.002 181 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 181 K C 2.266 178.953 176.600 0.146 0.000 1.048 181 K CA 1.815 58.045 56.287 -0.096 0.000 0.930 181 K CB -0.197 32.174 32.500 -0.216 0.000 0.714 181 K HN 0.541 nan 8.250 nan 0.000 0.438 182 E N 0.166 120.414 120.200 0.079 0.000 2.021 182 E HA -0.277 4.073 4.350 -0.000 0.000 0.200 182 E C 2.007 178.660 176.600 0.089 0.000 1.015 182 E CA 1.595 58.049 56.400 0.089 0.000 0.824 182 E CB -0.281 29.454 29.700 0.058 0.000 0.762 182 E HN 0.299 nan 8.360 nan 0.000 0.454 183 Y N 0.744 121.031 120.300 -0.023 0.000 2.139 183 Y HA -0.283 4.267 4.550 -0.000 0.000 0.282 183 Y C 2.119 178.012 175.900 -0.011 0.000 1.179 183 Y CA 1.895 59.983 58.100 -0.020 0.000 1.161 183 Y CB -0.268 38.174 38.460 -0.030 0.000 0.970 183 Y HN -0.033 nan 8.280 nan 0.000 0.511 184 V N 0.859 120.837 119.914 0.106 0.000 2.515 184 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 184 V C 2.405 178.421 176.094 -0.130 0.000 1.058 184 V CA 2.148 64.447 62.300 -0.001 0.000 1.064 184 V CB -0.698 31.028 31.823 -0.161 0.000 0.675 184 V HN 0.373 nan 8.190 nan 0.000 0.461 185 K N 0.619 120.982 120.400 -0.063 0.000 1.973 185 K HA -0.234 4.086 4.320 -0.000 0.000 0.212 185 K C 2.113 178.600 176.600 -0.188 0.000 1.047 185 K CA 2.058 58.263 56.287 -0.138 0.000 0.937 185 K CB -0.274 32.227 32.500 0.001 0.000 0.721 185 K HN 0.433 nan 8.250 nan 0.000 0.440 186 N N 1.403 119.999 118.700 -0.173 0.000 2.021 186 N HA -0.207 4.533 4.740 -0.000 0.000 0.198 186 N C 1.650 176.984 175.510 -0.293 0.000 1.041 186 N CA 1.593 54.518 53.050 -0.208 0.000 0.862 186 N CB -0.653 37.705 38.487 -0.216 0.000 1.048 186 N HN 0.312 nan 8.380 nan 0.000 0.427 187 E N 0.251 120.203 120.200 -0.414 0.000 2.130 187 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 187 E C 2.047 178.382 176.600 -0.443 0.000 0.998 187 E CA 0.695 56.829 56.400 -0.445 0.000 0.806 187 E CB -0.471 28.935 29.700 -0.489 0.000 0.738 187 E HN 0.396 nan 8.360 nan 0.000 0.459 188 C N 0.208 119.208 119.300 -0.501 0.000 2.468 188 C HA 0.066 4.526 4.460 -0.000 0.000 0.277 188 C C 2.741 177.402 174.990 -0.548 0.000 1.400 188 C CA -0.104 58.417 59.018 -0.828 0.000 1.770 188 C CB -0.879 26.090 27.740 -1.285 0.000 1.905 188 C HN 0.348 nan 8.230 nan 0.000 0.519 189 L N 0.524 121.584 121.223 -0.273 0.000 2.044 189 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 189 L C 2.574 179.365 176.870 -0.132 0.000 1.075 189 L CA 1.422 56.195 54.840 -0.112 0.000 0.747 189 L CB -0.648 41.361 42.059 -0.082 0.000 0.903 189 L HN 0.316 nan 8.230 nan 0.000 0.435 190 K N 0.451 120.746 120.400 -0.176 0.000 2.074 190 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 190 K C 1.979 178.486 176.600 -0.156 0.000 1.048 190 K CA 1.301 57.496 56.287 -0.153 0.000 0.926 190 K CB -0.318 32.078 32.500 -0.173 0.000 0.713 190 K HN 0.289 nan 8.250 nan 0.000 0.444 191 L N 0.585 121.674 121.223 -0.224 0.000 2.362 191 L HA -0.131 4.209 4.340 -0.000 0.000 0.219 191 L C 2.413 179.184 176.870 -0.165 0.000 1.134 191 L CA 0.935 55.645 54.840 -0.216 0.000 0.807 191 L CB -0.363 41.506 42.059 -0.317 0.000 0.927 191 L HN 0.306 nan 8.230 nan 0.000 0.447 192 E N 0.753 120.891 120.200 -0.103 0.000 2.122 192 E HA -0.200 4.150 4.350 -0.000 0.000 0.190 192 E C 2.109 178.680 176.600 -0.048 0.000 0.977 192 E CA 0.689 57.058 56.400 -0.051 0.000 0.820 192 E CB 0.201 29.922 29.700 0.034 0.000 0.770 192 E HN 0.619 nan 8.360 nan 0.000 0.462 193 Q N -0.552 119.219 119.800 -0.047 0.000 2.408 193 Q HA 0.025 4.365 4.340 -0.000 0.000 0.205 193 Q C 1.049 177.034 176.000 -0.026 0.000 0.919 193 Q CA 0.650 56.434 55.803 -0.031 0.000 0.932 193 Q CB 0.390 29.107 28.738 -0.034 0.000 1.058 193 Q HN 0.217 nan 8.270 nan 0.000 0.517 194 E N -0.423 119.753 120.200 -0.039 0.000 2.490 194 E HA 0.172 4.522 4.350 -0.000 0.000 0.209 194 E C 0.374 176.975 176.600 0.001 0.000 0.971 194 E CA 0.122 56.507 56.400 -0.025 0.000 0.988 194 E CB 0.746 30.419 29.700 -0.046 0.000 1.029 194 E HN 0.294 nan 8.360 nan 0.000 0.496 195 I N -1.000 119.571 120.570 0.000 0.000 4.881 195 I HA 0.017 4.187 4.170 -0.000 0.000 0.319 195 I C 1.526 177.734 176.117 0.152 0.000 1.205 195 I CA 0.125 61.475 61.300 0.083 0.000 1.368 195 I CB 0.370 38.410 38.000 0.066 0.000 1.484 195 I HN -0.048 nan 8.210 nan 0.000 0.486 196 I N 0.475 120.985 120.570 -0.100 0.000 2.233 196 I HA -0.189 3.981 4.170 -0.000 0.000 0.243 196 I C 2.197 178.390 176.117 0.127 0.000 1.093 196 I CA 1.585 62.773 61.300 -0.186 0.000 1.380 196 I CB -0.202 37.585 38.000 -0.355 0.000 1.067 196 I HN 0.131 nan 8.210 nan 0.000 0.413 197 L N 0.578 121.833 121.223 0.053 0.000 2.034 197 L HA -0.041 4.299 4.340 -0.000 0.000 0.203 197 L C -0.333 176.585 176.870 0.080 0.000 1.074 197 L CA 1.119 55.995 54.840 0.060 0.000 0.748 197 L CB -1.923 40.149 42.059 0.022 0.000 0.905 197 L HN 0.081 nan 8.230 nan 0.000 0.439 198 P HA -0.144 nan 4.420 nan 0.000 0.223 198 P C -0.115 177.235 177.300 0.084 0.000 1.140 198 P CA 1.317 64.455 63.100 0.062 0.000 0.783 198 P CB -0.006 31.725 31.700 0.050 0.000 0.759 199 N N -1.020 117.763 118.700 0.138 0.000 2.610 199 N HA 0.046 4.786 4.740 -0.000 0.000 0.307 199 N C 0.791 176.380 175.510 0.131 0.000 1.813 199 N CA -0.128 52.998 53.050 0.127 0.000 0.901 199 N CB 0.451 39.027 38.487 0.149 0.000 1.354 199 N HN 0.296 nan 8.380 nan 0.000 0.491 200 K N 0.104 120.568 120.400 0.106 0.000 2.444 200 K HA -0.193 4.127 4.320 -0.000 0.000 0.200 200 K C 1.723 178.350 176.600 0.045 0.000 1.045 200 K CA 0.942 57.283 56.287 0.090 0.000 0.934 200 K CB 0.323 32.857 32.500 0.056 0.000 0.756 200 K HN 0.133 nan 8.250 nan 0.000 0.477 201 R N 1.260 121.768 120.500 0.012 0.000 2.075 201 R HA 0.016 4.356 4.340 -0.000 0.000 0.226 201 R C 2.101 178.353 176.300 -0.080 0.000 1.114 201 R CA 0.814 56.900 56.100 -0.024 0.000 0.972 201 R CB -0.114 30.172 30.300 -0.024 0.000 0.869 201 R HN 0.267 nan 8.270 nan 0.000 0.437 202 L N -0.309 120.818 121.223 -0.159 0.000 2.131 202 L HA 0.049 4.389 4.340 -0.000 0.000 0.206 202 L C 0.318 176.854 176.870 -0.557 0.000 1.087 202 L CA 0.682 55.280 54.840 -0.404 0.000 0.767 202 L CB 0.068 41.764 42.059 -0.604 0.000 0.917 202 L HN 0.062 nan 8.230 nan 0.000 0.441 203 F N -0.360 119.601 119.950 0.017 0.000 2.310 203 F HA 0.299 4.825 4.527 -0.000 0.000 0.365 203 F C -1.621 174.176 175.800 -0.006 0.000 1.080 203 F CA -1.974 56.031 58.000 0.009 0.000 1.187 203 F CB 0.305 39.318 39.000 0.021 0.000 1.465 203 F HN -0.192 nan 8.300 nan 0.000 0.496 204 P HA -0.119 nan 4.420 nan 0.000 0.199 204 P C -0.110 177.216 177.300 0.043 0.000 1.118 204 P CA 0.986 64.112 63.100 0.045 0.000 0.913 204 P CB 0.169 31.876 31.700 0.012 0.000 0.738 205 D N 0.208 120.620 120.400 0.019 0.000 2.419 205 D HA 0.042 4.682 4.640 -0.000 0.000 0.236 205 D C -1.975 174.314 176.300 -0.017 0.000 1.165 205 D CA -0.326 53.667 54.000 -0.011 0.000 0.882 205 D CB -0.848 39.930 40.800 -0.036 0.000 1.201 205 D HN 0.088 nan 8.370 nan 0.000 0.443 206 P HA 0.063 nan 4.420 nan 0.000 0.270 206 P C -0.632 176.585 177.300 -0.137 0.000 1.223 206 P CA -0.295 62.760 63.100 -0.077 0.000 0.785 206 P CB 0.603 32.255 31.700 -0.080 0.000 0.923 207 V N 1.181 120.976 119.914 -0.199 0.000 2.325 207 V HA 0.243 4.363 4.120 -0.000 0.000 0.280 207 V C 0.587 176.381 176.094 -0.500 0.000 1.016 207 V CA -0.632 61.444 62.300 -0.373 0.000 0.818 207 V CB 0.525 32.089 31.823 -0.431 0.000 1.019 207 V HN 0.694 nan 8.190 nan 0.000 0.434 208 T N 1.618 115.916 114.554 -0.427 0.000 2.860 208 T HA 0.330 4.680 4.350 -0.000 0.000 0.299 208 T C 1.266 175.673 174.700 -0.488 0.000 1.045 208 T CA -0.383 61.507 62.100 -0.349 0.000 1.071 208 T CB 1.214 69.954 68.868 -0.213 0.000 0.985 208 T HN 0.373 nan 8.240 nan 0.000 0.537 209 L N 0.392 121.449 121.223 -0.276 0.000 2.191 209 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 209 L C 1.902 178.675 176.870 -0.162 0.000 1.103 209 L CA 1.662 56.377 54.840 -0.208 0.000 0.769 209 L CB -0.503 41.489 42.059 -0.111 0.000 0.908 209 L HN 0.757 nan 8.230 nan 0.000 0.438 210 D N -0.214 120.152 120.400 -0.057 0.000 2.117 210 D HA -0.202 4.438 4.640 -0.000 0.000 0.198 210 D C 1.814 178.190 176.300 0.127 0.000 0.982 210 D CA 1.221 55.287 54.000 0.111 0.000 0.828 210 D CB -0.087 40.745 40.800 0.055 0.000 0.967 210 D HN 0.302 nan 8.370 nan 0.000 0.464 211 D N -0.231 120.112 120.400 -0.095 0.000 2.133 211 D HA -0.164 4.476 4.640 -0.000 0.000 0.195 211 D C 2.043 178.478 176.300 0.224 0.000 0.997 211 D CA 0.791 54.743 54.000 -0.079 0.000 0.840 211 D CB -0.328 40.275 40.800 -0.328 0.000 0.947 211 D HN 0.309 nan 8.370 nan 0.000 0.452 212 F N 0.328 120.344 119.950 0.109 0.000 2.031 212 F HA -0.156 4.371 4.527 -0.000 0.000 0.295 212 F C 2.545 178.534 175.800 0.316 0.000 1.133 212 F CA 0.589 58.654 58.000 0.108 0.000 1.188 212 F CB -0.621 38.282 39.000 -0.162 0.000 0.974 212 F HN -0.104 nan 8.300 nan 0.000 0.473 213 F N -1.090 119.162 119.950 0.504 0.000 2.192 213 F HA -0.305 4.222 4.527 -0.000 0.000 0.301 213 F C 2.313 178.474 175.800 0.603 0.000 1.079 213 F CA 0.917 59.200 58.000 0.473 0.000 1.303 213 F CB -0.558 38.681 39.000 0.398 0.000 1.024 213 F HN 0.185 nan 8.300 nan 0.000 0.494 214 W N 1.158 122.785 121.300 0.545 0.000 2.353 214 W HA -0.240 4.420 4.660 -0.000 0.000 0.319 214 W C 2.432 179.156 176.519 0.342 0.000 1.207 214 W CA 2.106 59.679 57.345 0.381 0.000 1.291 214 W CB -0.675 28.885 29.460 0.165 0.000 1.159 214 W HN -0.081 nan 8.180 nan 0.000 0.478 215 A N -0.169 122.932 122.820 0.468 0.000 1.902 215 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 215 A C 1.977 179.656 177.584 0.159 0.000 1.181 215 A CA 1.565 53.686 52.037 0.139 0.000 0.623 215 A CB -1.536 17.755 19.000 0.484 0.000 0.818 215 A HN 0.555 nan 8.150 nan 0.000 0.443 216 F N 1.265 121.348 119.950 0.221 0.000 2.134 216 F HA -0.019 4.508 4.527 -0.000 0.000 0.299 216 F C 2.240 178.052 175.800 0.020 0.000 1.097 216 F CA 1.432 59.530 58.000 0.164 0.000 1.264 216 F CB -0.692 38.465 39.000 0.263 0.000 1.001 216 F HN 0.187 nan 8.300 nan 0.000 0.479 217 G N 1.186 110.025 108.800 0.064 0.000 2.421 217 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 217 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 217 G C 1.666 176.434 174.900 -0.219 0.000 1.171 217 G CA 0.995 46.036 45.100 -0.097 0.000 0.775 217 G HN 0.358 nan 8.290 nan 0.000 0.543 218 I N 0.329 120.744 120.570 -0.258 0.000 2.335 218 I HA -0.108 4.062 4.170 -0.000 0.000 0.251 218 I C 2.647 178.627 176.117 -0.228 0.000 1.129 218 I CA 0.841 61.964 61.300 -0.295 0.000 1.402 218 I CB -0.897 36.817 38.000 -0.476 0.000 1.069 218 I HN 0.091 nan 8.210 nan 0.000 0.424 219 L N 0.426 121.492 121.223 -0.262 0.000 2.023 219 L HA -0.071 4.269 4.340 -0.000 0.000 0.205 219 L C 2.694 179.332 176.870 -0.386 0.000 1.073 219 L CA 1.610 56.290 54.840 -0.267 0.000 0.745 219 L CB -0.793 41.126 42.059 -0.234 0.000 0.900 219 L HN 0.111 nan 8.230 nan 0.000 0.435 220 R N -0.612 119.537 120.500 -0.584 0.000 2.127 220 R HA -0.075 4.265 4.340 -0.000 0.000 0.238 220 R C 1.983 177.916 176.300 -0.611 0.000 1.134 220 R CA 1.536 57.244 56.100 -0.653 0.000 0.975 220 R CB -0.573 29.238 30.300 -0.816 0.000 0.865 220 R HN 0.565 nan 8.270 nan 0.000 0.447 221 S N -1.140 114.313 115.700 -0.411 0.000 2.539 221 S HA 0.228 4.698 4.470 -0.000 0.000 0.221 221 S C 1.363 175.928 174.600 -0.058 0.000 0.987 221 S CA -0.459 57.627 58.200 -0.190 0.000 0.929 221 S CB 0.568 63.764 63.200 -0.007 0.000 0.832 221 S HN 0.197 nan 8.310 nan 0.000 0.492 222 R N 0.095 120.487 120.500 -0.180 0.000 2.646 222 R HA 0.432 4.772 4.340 -0.000 0.000 0.226 222 R C 0.386 176.513 176.300 -0.288 0.000 0.928 222 R CA 0.447 56.437 56.100 -0.184 0.000 1.010 222 R CB 0.372 30.646 30.300 -0.044 0.000 1.516 222 R HN 0.329 nan 8.270 nan 0.000 0.621 223 A N 1.668 124.344 122.820 -0.240 0.000 2.477 223 A HA 0.360 4.680 4.320 -0.000 0.000 0.246 223 A C -0.638 176.792 177.584 -0.257 0.000 1.078 223 A CA 0.174 52.110 52.037 -0.169 0.000 0.770 223 A CB -0.117 18.799 19.000 -0.140 0.000 1.011 223 A HN 0.083 nan 8.150 nan 0.000 0.494 224 F N 1.866 121.697 119.950 -0.200 0.000 2.411 224 F HA 0.321 4.848 4.527 -0.000 0.000 0.350 224 F C 1.492 177.229 175.800 -0.104 0.000 1.114 224 F CA 0.171 58.092 58.000 -0.131 0.000 1.135 224 F CB 1.650 40.574 39.000 -0.127 0.000 1.120 224 F HN 0.600 nan 8.300 nan 0.000 0.495 225 S N 0.964 116.699 115.700 0.058 0.000 2.539 225 S HA 0.207 4.677 4.470 -0.000 0.000 0.221 225 S C 0.787 175.414 174.600 0.046 0.000 0.987 225 S CA -0.463 57.752 58.200 0.025 0.000 0.929 225 S CB -0.090 63.096 63.200 -0.023 0.000 0.832 225 S HN 0.466 nan 8.310 nan 0.000 0.492 226 R N 1.805 122.355 120.500 0.084 0.000 2.891 226 R HA 0.533 4.873 4.340 -0.000 0.000 0.248 226 R C -0.921 175.413 176.300 0.057 0.000 1.439 226 R CA 0.057 56.194 56.100 0.061 0.000 1.288 226 R CB -0.209 30.119 30.300 0.047 0.000 1.212 226 R HN 0.265 nan 8.270 nan 0.000 0.605 232 L N 0.435 121.653 121.223 -0.007 0.000 2.617 232 L HA 0.553 4.893 4.340 -0.000 0.000 0.259 232 L C -1.575 175.256 176.870 -0.064 0.000 0.995 232 L CA -0.650 54.173 54.840 -0.028 0.000 0.899 232 L CB 1.632 43.690 42.059 -0.001 0.000 1.181 232 L HN 0.390 nan 8.230 nan 0.000 0.437 233 V N 2.758 122.601 119.914 -0.118 0.000 2.581 233 V HA 0.560 4.680 4.120 -0.000 0.000 0.303 233 V C -0.085 175.839 176.094 -0.283 0.000 1.041 233 V CA -0.755 61.380 62.300 -0.275 0.000 0.907 233 V CB 2.646 34.142 31.823 -0.544 0.000 0.994 233 V HN 0.284 nan 8.190 nan 0.000 0.442 234 V N 4.313 124.022 119.914 -0.341 0.000 2.448 234 V HA 0.501 4.621 4.120 -0.000 0.000 0.295 234 V C -0.418 175.408 176.094 -0.446 0.000 1.025 234 V CA -0.541 61.596 62.300 -0.272 0.000 0.859 234 V CB 1.943 33.641 31.823 -0.209 0.000 0.988 234 V HN 0.612 nan 8.190 nan 0.000 0.431 235 V N 7.060 126.736 119.914 -0.396 0.000 2.305 235 V HA 0.259 4.379 4.120 -0.000 0.000 0.275 235 V C -1.604 174.474 176.094 -0.027 0.000 1.020 235 V CA -1.447 60.614 62.300 -0.398 0.000 0.811 235 V CB 1.414 32.730 31.823 -0.844 0.000 1.031 235 V HN 0.652 nan 8.190 nan 0.000 0.439 236 P HA -0.297 nan 4.420 nan 0.000 0.222 236 P C 1.700 179.423 177.300 0.703 0.000 1.155 236 P CA 1.841 65.187 63.100 0.411 0.000 0.890 236 P CB 0.237 32.286 31.700 0.581 0.000 0.790 237 M N -1.042 118.846 119.600 0.481 0.000 2.191 237 M HA 0.115 4.595 4.480 -0.000 0.000 0.262 237 M C 1.663 178.211 176.300 0.413 0.000 1.083 237 M CA 1.854 57.447 55.300 0.489 0.000 1.154 237 M CB -0.761 32.015 32.600 0.294 0.000 1.344 237 M HN -0.190 nan 8.290 nan 0.000 0.431 238 A N -0.685 122.315 122.820 0.301 0.000 2.265 238 A HA 0.037 4.357 4.320 -0.000 0.000 0.213 238 A C 1.102 178.963 177.584 0.460 0.000 1.255 238 A CA 0.952 53.190 52.037 0.336 0.000 0.862 238 A CB -1.034 18.123 19.000 0.261 0.000 0.852 238 A HN 0.611 nan 8.150 nan 0.000 0.484 239 D N -1.205 119.434 120.400 0.399 0.000 2.367 239 D HA 0.109 4.749 4.640 -0.000 0.000 0.207 239 D C 1.331 177.803 176.300 0.287 0.000 1.034 239 D CA 0.413 54.634 54.000 0.368 0.000 0.861 239 D CB 0.208 41.236 40.800 0.381 0.000 0.943 239 D HN 0.318 nan 8.370 nan 0.000 0.515 240 L N 0.220 121.620 121.223 0.295 0.000 2.375 240 L HA 0.229 4.569 4.340 -0.000 0.000 0.215 240 L C 0.691 177.682 176.870 0.201 0.000 1.108 240 L CA 0.099 55.069 54.840 0.217 0.000 0.830 240 L CB -0.323 41.861 42.059 0.207 0.000 0.959 240 L HN 0.074 nan 8.230 nan 0.000 0.457 241 I N 0.565 121.289 120.570 0.256 0.000 2.775 241 I HA -0.053 4.117 4.170 -0.000 0.000 0.290 241 I C 0.485 176.771 176.117 0.281 0.000 1.203 241 I CA 0.529 61.968 61.300 0.231 0.000 1.433 241 I CB -0.024 38.162 38.000 0.311 0.000 1.354 241 I HN 0.189 nan 8.210 nan 0.000 0.579 242 N N 4.543 123.345 118.700 0.170 0.000 2.502 242 N HA 0.245 4.985 4.740 -0.000 0.000 0.280 242 N C -1.055 174.508 175.510 0.089 0.000 1.223 242 N CA -0.576 52.589 53.050 0.193 0.000 0.966 242 N CB 0.746 39.305 38.487 0.119 0.000 1.203 242 N HN 0.706 nan 8.380 nan 0.000 0.565 243 H N -0.959 117.771 119.070 -0.566 0.000 2.482 243 H HA 0.518 5.074 4.556 -0.000 0.000 0.344 243 H C -0.818 174.149 175.328 -0.602 0.000 1.151 243 H CA -0.041 55.461 56.048 -0.912 0.000 1.300 243 H CB 0.802 29.561 29.762 -1.672 0.000 1.494 243 H HN 0.312 nan 8.280 nan 0.000 0.542 244 S N 2.329 117.246 115.700 -1.306 0.000 2.543 244 S HA 0.486 4.956 4.470 -0.000 0.000 0.271 244 S C 0.328 174.404 174.600 -0.872 0.000 1.148 244 S CA -0.104 57.453 58.200 -1.072 0.000 0.914 244 S CB 0.927 63.426 63.200 -1.169 0.000 1.096 244 S HN 0.941 nan 8.310 nan 0.000 0.471 245 A N 3.148 125.655 122.820 -0.520 0.000 2.168 245 A HA 0.227 4.547 4.320 -0.000 0.000 0.215 245 A C 1.909 179.352 177.584 -0.235 0.000 1.152 245 A CA 1.543 53.421 52.037 -0.265 0.000 0.716 245 A CB -1.001 17.922 19.000 -0.130 0.000 0.794 245 A HN 1.145 nan 8.150 nan 0.000 0.465 246 G N -0.578 108.044 108.800 -0.297 0.000 2.443 246 G HA2 0.126 4.086 3.960 -0.000 0.000 0.219 246 G HA3 0.126 4.086 3.960 -0.000 0.000 0.219 246 G C 0.554 175.355 174.900 -0.165 0.000 1.131 246 G CA 0.835 45.811 45.100 -0.207 0.000 0.775 246 G HN 0.286 nan 8.290 nan 0.000 0.547 247 V N 1.947 121.733 119.914 -0.213 0.000 2.389 247 V HA 0.311 4.431 4.120 -0.000 0.000 0.264 247 V C 1.111 177.137 176.094 -0.113 0.000 1.049 247 V CA 0.635 62.845 62.300 -0.150 0.000 0.932 247 V CB 0.913 32.627 31.823 -0.182 0.000 1.011 247 V HN 0.354 nan 8.190 nan 0.000 0.475 248 T N -0.857 113.659 114.554 -0.064 0.000 3.129 248 T HA 0.058 4.408 4.350 -0.000 0.000 0.267 248 T C 1.101 175.798 174.700 -0.005 0.000 1.018 248 T CA 0.284 62.365 62.100 -0.032 0.000 0.903 248 T CB 0.281 69.132 68.868 -0.029 0.000 1.067 248 T HN 0.547 nan 8.240 nan 0.000 0.549 249 T N 1.545 116.099 114.554 0.000 0.000 2.898 249 T HA 0.216 4.566 4.350 -0.000 0.000 0.241 249 T C 0.573 175.314 174.700 0.069 0.000 1.024 249 T CA 0.457 62.574 62.100 0.028 0.000 1.174 249 T CB -0.279 68.606 68.868 0.028 0.000 0.873 249 T HN 0.535 nan 8.240 nan 0.000 0.422 250 E N 1.117 121.377 120.200 0.099 0.000 2.497 250 E HA -0.153 4.197 4.350 -0.000 0.000 0.273 250 E C -1.709 175.081 176.600 0.316 0.000 1.045 250 E CA 0.090 56.627 56.400 0.228 0.000 0.797 250 E CB -1.258 28.554 29.700 0.186 0.000 1.352 250 E HN 0.450 nan 8.360 nan 0.000 0.399 251 D N 0.126 120.723 120.400 0.328 0.000 2.443 251 D HA 0.173 4.813 4.640 -0.000 0.000 0.281 251 D C 0.617 177.080 176.300 0.272 0.000 1.210 251 D CA -0.268 53.864 54.000 0.220 0.000 0.875 251 D CB 0.412 41.268 40.800 0.094 0.000 1.125 251 D HN 0.358 nan 8.370 nan 0.000 0.503 252 H N -0.472 118.644 119.070 0.075 0.000 2.312 252 H HA 0.389 4.945 4.556 -0.000 0.000 0.215 252 H C 0.605 175.963 175.328 0.050 0.000 0.870 252 H CA -0.263 55.831 56.048 0.076 0.000 0.982 252 H CB -0.468 29.373 29.762 0.132 0.000 1.330 252 H HN 0.157 nan 8.280 nan 0.000 0.399 253 A N 1.304 123.902 122.820 -0.370 0.000 2.520 253 A HA 0.394 4.714 4.320 -0.000 0.000 0.245 253 A C -0.934 176.523 177.584 -0.213 0.000 1.072 253 A CA 0.545 52.399 52.037 -0.304 0.000 0.761 253 A CB -0.624 18.321 19.000 -0.092 0.000 1.004 253 A HN 0.659 nan 8.150 nan 0.000 0.499 254 Y N 1.330 121.258 120.300 -0.620 0.000 2.527 254 Y HA 0.419 4.969 4.550 -0.000 0.000 0.328 254 Y C -1.370 174.260 175.900 -0.451 0.000 1.216 254 Y CA -0.781 57.083 58.100 -0.393 0.000 1.152 254 Y CB 1.107 39.432 38.460 -0.225 0.000 1.342 254 Y HN 0.794 nan 8.280 nan 0.000 0.465 255 E N 5.219 124.757 120.200 -1.103 0.000 2.238 255 E HA 0.671 5.021 4.350 -0.000 0.000 0.267 255 E C -1.574 174.517 176.600 -0.847 0.000 0.887 255 E CA -0.747 55.206 56.400 -0.745 0.000 0.769 255 E CB 2.322 31.897 29.700 -0.208 0.000 1.187 255 E HN 0.455 nan 8.360 nan 0.000 0.416 268 L N 0.365 121.772 121.223 0.307 0.000 2.751 268 L HA 0.406 4.746 4.340 -0.000 0.000 0.261 268 L C -2.091 175.018 176.870 0.399 0.000 0.927 268 L CA -0.317 54.706 54.840 0.305 0.000 0.968 268 L CB 1.280 43.416 42.059 0.128 0.000 1.432 268 L HN 0.373 nan 8.230 nan 0.000 0.439 269 F N 3.762 123.998 119.950 0.476 0.000 2.438 269 F HA 0.565 5.092 4.527 -0.000 0.000 0.360 269 F C 0.430 176.219 175.800 -0.019 0.000 1.118 269 F CA 0.497 58.501 58.000 0.007 0.000 1.164 269 F CB 0.972 39.681 39.000 -0.485 0.000 1.131 269 F HN 0.463 nan 8.300 nan 0.000 0.527 270 S N 6.617 122.069 115.700 -0.413 0.000 2.437 270 S HA 0.590 5.060 4.470 -0.000 0.000 0.305 270 S C -1.246 173.174 174.600 -0.299 0.000 1.109 270 S CA -0.691 57.393 58.200 -0.193 0.000 1.099 270 S CB 0.730 63.925 63.200 -0.008 0.000 1.004 270 S HN 0.617 nan 8.310 nan 0.000 0.475 271 L N 6.820 127.985 121.223 -0.098 0.000 2.298 271 L HA 0.576 4.916 4.340 -0.000 0.000 0.284 271 L C -0.651 176.262 176.870 0.070 0.000 1.013 271 L CA -0.247 54.590 54.840 -0.005 0.000 0.824 271 L CB 0.959 43.098 42.059 0.134 0.000 1.221 271 L HN 0.641 nan 8.230 nan 0.000 0.418 272 K N 2.544 122.993 120.400 0.083 0.000 2.235 272 K HA 0.500 4.820 4.320 -0.000 0.000 0.266 272 K C -0.257 176.406 176.600 0.105 0.000 0.980 272 K CA -0.501 55.833 56.287 0.078 0.000 0.849 272 K CB 1.602 34.127 32.500 0.041 0.000 1.098 272 K HN 0.459 nan 8.250 nan 0.000 0.445 273 S N 3.903 119.652 115.700 0.081 0.000 2.509 273 S HA 0.074 4.544 4.470 -0.000 0.000 0.287 273 S C -1.166 173.465 174.600 0.051 0.000 1.248 273 S CA -1.292 56.950 58.200 0.070 0.000 1.089 273 S CB 0.314 63.547 63.200 0.054 0.000 0.900 273 S HN 0.626 nan 8.310 nan 0.000 0.496 274 P HA 0.093 nan 4.420 nan 0.000 0.237 274 P C -0.193 177.115 177.300 0.012 0.000 1.178 274 P CA 0.533 63.648 63.100 0.026 0.000 0.766 274 P CB 0.107 31.809 31.700 0.004 0.000 0.876 275 L N -1.314 119.920 121.223 0.017 0.000 2.350 275 L HA 0.356 4.696 4.340 -0.000 0.000 0.260 275 L C 0.093 176.975 176.870 0.021 0.000 1.015 275 L CA -1.001 53.848 54.840 0.015 0.000 0.821 275 L CB 2.161 44.230 42.059 0.016 0.000 1.370 275 L HN -0.385 nan 8.230 nan 0.000 0.416 276 S N 1.174 116.884 115.700 0.016 0.000 2.405 276 S HA 0.300 4.770 4.470 -0.000 0.000 0.291 276 S C -0.213 174.399 174.600 0.020 0.000 1.137 276 S CA -0.423 57.786 58.200 0.016 0.000 1.061 276 S CB 0.457 63.663 63.200 0.011 0.000 1.001 276 S HN 0.246 nan 8.310 nan 0.000 0.507 277 V N 5.753 125.681 119.914 0.023 0.000 2.350 277 V HA 0.246 4.366 4.120 -0.000 0.000 0.276 277 V C 0.436 176.541 176.094 0.019 0.000 1.028 277 V CA -0.743 61.570 62.300 0.023 0.000 0.860 277 V CB 1.000 32.834 31.823 0.018 0.000 0.990 277 V HN 0.695 nan 8.190 nan 0.000 0.453 278 K N 2.993 123.404 120.400 0.017 0.000 2.219 278 K HA 0.548 4.868 4.320 -0.000 0.000 0.258 278 K C 0.560 177.169 176.600 0.015 0.000 1.008 278 K CA -0.195 56.102 56.287 0.015 0.000 0.928 278 K CB 0.644 33.152 32.500 0.013 0.000 0.983 278 K HN 0.820 nan 8.250 nan 0.000 0.484 279 A N 1.207 124.036 122.820 0.016 0.000 2.567 279 A HA 0.303 4.623 4.320 -0.000 0.000 0.240 279 A C 1.260 178.851 177.584 0.013 0.000 1.053 279 A CA 1.009 53.056 52.037 0.017 0.000 0.755 279 A CB -0.867 18.144 19.000 0.019 0.000 0.978 279 A HN 0.921 nan 8.150 nan 0.000 0.507 280 G N 1.738 110.545 108.800 0.011 0.000 2.279 280 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.223 280 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.223 280 G C 0.179 175.077 174.900 -0.003 0.000 1.015 280 G CA 0.348 45.451 45.100 0.005 0.000 0.621 280 G HN 0.858 nan 8.290 nan 0.000 0.506 281 E N 0.670 120.870 120.200 -0.001 0.000 2.369 281 E HA 0.463 4.813 4.350 -0.000 0.000 0.255 281 E C 0.298 176.872 176.600 -0.044 0.000 1.172 281 E CA -0.354 56.042 56.400 -0.006 0.000 0.932 281 E CB 0.653 30.362 29.700 0.015 0.000 1.040 281 E HN 0.465 nan 8.360 nan 0.000 0.454 282 Q N 0.683 120.429 119.800 -0.090 0.000 2.230 282 Q HA 0.299 4.639 4.340 -0.000 0.000 0.248 282 Q C -1.245 174.559 176.000 -0.326 0.000 0.915 282 Q CA -0.625 55.018 55.803 -0.267 0.000 0.900 282 Q CB 1.301 29.754 28.738 -0.476 0.000 1.229 282 Q HN 0.269 nan 8.270 nan 0.000 0.439 283 V N 4.174 123.893 119.914 -0.325 0.000 2.439 283 V HA 0.361 4.481 4.120 -0.000 0.000 0.282 283 V C -0.809 175.098 176.094 -0.313 0.000 1.039 283 V CA -0.348 61.840 62.300 -0.187 0.000 0.913 283 V CB 0.321 32.114 31.823 -0.050 0.000 0.983 283 V HN 0.713 nan 8.190 nan 0.000 0.460 284 Y N 4.154 124.431 120.300 -0.039 0.000 2.693 284 Y HA 0.824 5.374 4.550 -0.000 0.000 0.331 284 Y C 0.225 176.059 175.900 -0.111 0.000 1.092 284 Y CA -1.014 57.033 58.100 -0.089 0.000 1.131 284 Y CB 2.101 40.453 38.460 -0.179 0.000 1.318 284 Y HN 0.636 nan 8.280 nan 0.000 0.510 285 I N -1.207 119.387 120.570 0.040 0.000 3.181 285 I HA 0.556 4.726 4.170 -0.000 0.000 0.311 285 I C -1.658 174.327 176.117 -0.219 0.000 1.287 285 I CA -1.379 59.822 61.300 -0.165 0.000 0.958 285 I CB 2.298 40.190 38.000 -0.180 0.000 1.294 285 I HN 0.407 nan 8.210 nan 0.000 0.467 286 Q N 1.802 121.467 119.800 -0.226 0.000 2.430 286 Q HA 0.395 4.735 4.340 -0.000 0.000 0.245 286 Q C -0.583 175.619 176.000 0.336 0.000 1.021 286 Q CA -0.207 55.581 55.803 -0.025 0.000 0.867 286 Q CB 0.440 29.171 28.738 -0.011 0.000 1.210 286 Q HN 0.736 nan 8.270 nan 0.000 0.487 287 Y N 1.744 122.260 120.300 0.359 0.000 2.256 287 Y HA -0.111 4.439 4.550 -0.000 0.000 0.288 287 Y C 0.466 176.480 175.900 0.188 0.000 1.155 287 Y CA 0.657 58.872 58.100 0.191 0.000 1.203 287 Y CB 0.739 39.112 38.460 -0.144 0.000 0.980 287 Y HN 0.532 nan 8.280 nan 0.000 0.530 288 D N -1.354 119.259 120.400 0.354 0.000 2.115 288 D HA 0.044 4.684 4.640 -0.000 0.000 0.161 288 D C -0.359 176.054 176.300 0.188 0.000 1.181 288 D CA -0.118 54.022 54.000 0.234 0.000 0.868 288 D CB 0.232 41.151 40.800 0.199 0.000 2.440 288 D HN 0.032 nan 8.370 nan 0.000 0.502 289 L N 2.436 123.746 121.223 0.145 0.000 2.551 289 L HA 0.054 4.394 4.340 -0.000 0.000 0.228 289 L C 1.671 178.579 176.870 0.063 0.000 1.153 289 L CA 0.568 55.468 54.840 0.100 0.000 0.851 289 L CB -0.096 42.003 42.059 0.067 0.000 0.959 289 L HN 0.257 nan 8.230 nan 0.000 0.451 290 N N -0.648 118.093 118.700 0.067 0.000 2.250 290 N HA 0.072 4.812 4.740 -0.000 0.000 0.190 290 N C 0.278 175.853 175.510 0.109 0.000 1.116 290 N CA 0.153 53.223 53.050 0.032 0.000 0.881 290 N CB 0.546 39.042 38.487 0.016 0.000 1.006 290 N HN 0.281 nan 8.380 nan 0.000 0.491 291 K N 1.532 122.011 120.400 0.133 0.000 2.295 291 K HA 0.140 4.460 4.320 -0.000 0.000 0.270 291 K C 0.827 177.562 176.600 0.225 0.000 1.011 291 K CA -0.122 56.255 56.287 0.149 0.000 0.953 291 K CB 0.840 33.394 32.500 0.088 0.000 0.956 291 K HN 0.075 nan 8.250 nan 0.000 0.477 292 S N 0.995 116.815 115.700 0.201 0.000 2.661 292 S HA 0.131 4.601 4.470 -0.000 0.000 0.265 292 S C 0.885 175.515 174.600 0.049 0.000 1.225 292 S CA -0.697 57.587 58.200 0.140 0.000 0.986 292 S CB 0.740 63.868 63.200 -0.121 0.000 1.008 292 S HN 0.527 nan 8.310 nan 0.000 0.565 293 N N 0.582 119.307 118.700 0.042 0.000 2.270 293 N HA 0.002 4.742 4.740 -0.000 0.000 0.181 293 N C 1.932 177.425 175.510 -0.029 0.000 1.016 293 N CA 1.214 54.284 53.050 0.033 0.000 0.870 293 N CB -1.005 37.561 38.487 0.131 0.000 0.979 293 N HN 0.759 nan 8.380 nan 0.000 0.431 294 A N 1.478 124.267 122.820 -0.052 0.000 1.883 294 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 294 A C 2.050 179.544 177.584 -0.150 0.000 1.186 294 A CA 1.442 53.412 52.037 -0.110 0.000 0.624 294 A CB -0.563 18.352 19.000 -0.141 0.000 0.822 294 A HN 0.345 nan 8.150 nan 0.000 0.444 295 E N -0.236 119.886 120.200 -0.131 0.000 2.110 295 E HA -0.152 4.197 4.350 -0.000 0.000 0.193 295 E C 1.915 178.401 176.600 -0.189 0.000 0.988 295 E CA 1.203 57.512 56.400 -0.153 0.000 0.804 295 E CB -0.293 29.352 29.700 -0.092 0.000 0.745 295 E HN 0.660 nan 8.360 nan 0.000 0.458 296 L N 0.270 121.391 121.223 -0.169 0.000 2.156 296 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 296 L C 2.583 179.259 176.870 -0.323 0.000 1.095 296 L CA 0.631 55.316 54.840 -0.258 0.000 0.770 296 L CB -0.449 41.362 42.059 -0.413 0.000 0.914 296 L HN 0.113 nan 8.230 nan 0.000 0.439 297 A N 0.429 123.107 122.820 -0.236 0.000 1.877 297 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 297 A C 2.298 179.723 177.584 -0.265 0.000 1.186 297 A CA 1.787 53.705 52.037 -0.197 0.000 0.620 297 A CB -0.622 18.284 19.000 -0.157 0.000 0.822 297 A HN 0.393 nan 8.150 nan 0.000 0.443 298 L N -1.005 120.035 121.223 -0.305 0.000 2.068 298 L HA -0.081 4.259 4.340 -0.000 0.000 0.204 298 L C 1.978 178.621 176.870 -0.378 0.000 1.076 298 L CA 1.933 56.566 54.840 -0.344 0.000 0.753 298 L CB -0.282 41.589 42.059 -0.314 0.000 0.910 298 L HN 0.316 nan 8.230 nan 0.000 0.439 299 D N -1.322 118.806 120.400 -0.453 0.000 2.078 299 D HA -0.114 4.526 4.640 -0.000 0.000 0.193 299 D C -0.019 175.805 176.300 -0.792 0.000 0.990 299 D CA 1.597 55.172 54.000 -0.707 0.000 0.827 299 D CB 0.004 40.254 40.800 -0.917 0.000 0.975 299 D HN 0.287 nan 8.370 nan 0.000 0.451 300 Y N -1.731 118.406 120.300 -0.272 0.000 2.699 300 Y HA 0.576 5.126 4.550 -0.000 0.000 0.326 300 Y C 1.313 177.134 175.900 -0.132 0.000 1.141 300 Y CA -1.230 56.771 58.100 -0.165 0.000 1.246 300 Y CB 1.065 39.424 38.460 -0.168 0.000 1.426 300 Y HN -0.223 nan 8.280 nan 0.000 0.559 301 G N 0.503 109.461 108.800 0.262 0.000 3.882 301 G HA2 0.433 4.393 3.960 -0.000 0.000 0.283 301 G HA3 0.433 4.393 3.960 -0.000 0.000 0.283 301 G C -1.036 174.071 174.900 0.344 0.000 1.283 301 G CA 0.006 45.263 45.100 0.262 0.000 1.402 301 G HN 0.437 nan 8.290 nan 0.000 0.618 302 F N -0.838 119.208 119.950 0.160 0.000 2.773 302 F HA 0.770 5.297 4.527 -0.000 0.000 0.314 302 F C -1.235 174.609 175.800 0.074 0.000 1.160 302 F CA -2.296 55.770 58.000 0.110 0.000 0.920 302 F CB 1.099 40.137 39.000 0.064 0.000 1.323 302 F HN 0.127 nan 8.300 nan 0.000 0.457 303 I N -1.457 119.335 120.570 0.370 0.000 3.174 303 I HA 0.745 4.915 4.170 -0.000 0.000 0.313 303 I C -1.418 174.880 176.117 0.300 0.000 1.155 303 I CA -1.023 60.417 61.300 0.233 0.000 0.977 303 I CB 2.616 40.708 38.000 0.153 0.000 1.248 303 I HN 0.750 nan 8.210 nan 0.000 0.453 304 E N 1.869 122.182 120.200 0.189 0.000 2.235 304 E HA 0.387 4.737 4.350 -0.000 0.000 0.265 304 E C -2.161 174.473 176.600 0.057 0.000 0.940 304 E CA -1.681 54.794 56.400 0.126 0.000 0.819 304 E CB 2.020 31.789 29.700 0.114 0.000 1.206 304 E HN 0.477 nan 8.360 nan 0.000 0.409 305 P HA -0.046 nan 4.420 nan 0.000 0.231 305 P C -0.055 177.213 177.300 -0.054 0.000 1.168 305 P CA 0.391 63.497 63.100 0.010 0.000 0.779 305 P CB 0.155 31.860 31.700 0.010 0.000 0.844 306 N N 1.511 120.173 118.700 -0.064 0.000 2.396 306 N HA -0.102 4.638 4.740 -0.000 0.000 0.287 306 N C 1.173 176.547 175.510 -0.227 0.000 1.316 306 N CA 0.243 53.241 53.050 -0.086 0.000 0.972 306 N CB -0.054 38.414 38.487 -0.031 0.000 1.341 306 N HN 0.277 nan 8.380 nan 0.000 0.487 307 E N 2.159 122.222 120.200 -0.229 0.000 2.333 307 E HA -0.276 4.074 4.350 -0.000 0.000 0.200 307 E C 0.195 176.708 176.600 -0.146 0.000 1.010 307 E CA 0.992 57.169 56.400 -0.371 0.000 0.841 307 E CB -0.176 29.428 29.700 -0.161 0.000 0.757 307 E HN 0.497 nan 8.360 nan 0.000 0.508 308 N N 0.523 119.231 118.700 0.012 0.000 2.571 308 N HA -0.011 4.729 4.740 -0.000 0.000 0.189 308 N C 1.042 176.670 175.510 0.197 0.000 1.154 308 N CA 0.345 53.488 53.050 0.156 0.000 0.907 308 N CB 0.129 38.684 38.487 0.113 0.000 0.977 308 N HN 0.236 nan 8.380 nan 0.000 0.449 309 R N -0.034 120.493 120.500 0.046 0.000 2.282 309 R HA 0.104 4.444 4.340 -0.000 0.000 0.195 309 R C -0.066 176.306 176.300 0.120 0.000 0.909 309 R CA -0.021 56.160 56.100 0.136 0.000 1.039 309 R CB 0.004 30.318 30.300 0.023 0.000 1.015 309 R HN 0.444 nan 8.270 nan 0.000 0.513 310 H N 0.388 119.526 119.070 0.114 0.000 2.899 310 H HA 0.316 4.872 4.556 -0.000 0.000 0.303 310 H C 0.037 175.329 175.328 -0.059 0.000 1.042 310 H CA -0.226 55.830 56.048 0.012 0.000 1.479 310 H CB 0.834 30.582 29.762 -0.023 0.000 1.493 310 H HN 0.158 nan 8.280 nan 0.000 0.534 311 A N 3.765 126.502 122.820 -0.138 0.000 2.515 311 A HA 0.564 4.884 4.320 -0.000 0.000 0.296 311 A C -1.929 175.576 177.584 -0.133 0.000 1.094 311 A CA -0.656 51.128 52.037 -0.422 0.000 0.718 311 A CB 1.463 19.537 19.000 -1.544 0.000 1.307 311 A HN 0.694 nan 8.150 nan 0.000 0.408 312 Y N 0.258 120.457 120.300 -0.169 0.000 2.361 312 Y HA 0.531 5.081 4.550 -0.000 0.000 0.328 312 Y C 0.087 175.975 175.900 -0.021 0.000 1.044 312 Y CA -0.050 58.014 58.100 -0.059 0.000 1.085 312 Y CB 2.088 40.552 38.460 0.007 0.000 1.194 312 Y HN 0.823 nan 8.280 nan 0.000 0.438 313 T N 6.793 121.264 114.554 -0.139 0.000 2.767 313 T HA 0.533 4.883 4.350 -0.000 0.000 0.288 313 T C -0.772 174.024 174.700 0.159 0.000 0.963 313 T CA -0.476 61.652 62.100 0.048 0.000 1.019 313 T CB 0.107 68.972 68.868 -0.005 0.000 0.923 313 T HN 0.599 nan 8.240 nan 0.000 0.468 314 L N 4.232 125.611 121.223 0.259 0.000 2.312 314 L HA 0.464 4.804 4.340 -0.000 0.000 0.281 314 L C 0.812 177.788 176.870 0.177 0.000 1.070 314 L CA -0.826 54.156 54.840 0.238 0.000 0.805 314 L CB 1.705 43.892 42.059 0.212 0.000 1.174 314 L HN 0.679 nan 8.230 nan 0.000 0.434 315 T N 4.644 119.249 114.554 0.084 0.000 2.788 315 T HA 0.563 4.913 4.350 -0.000 0.000 0.296 315 T C -0.538 174.094 174.700 -0.113 0.000 1.009 315 T CA -0.415 61.615 62.100 -0.116 0.000 0.949 315 T CB 0.151 68.945 68.868 -0.123 0.000 0.946 315 T HN 0.332 nan 8.240 nan 0.000 0.453 316 L N 4.756 125.877 121.223 -0.171 0.000 2.334 316 L HA 0.782 5.122 4.340 -0.000 0.000 0.272 316 L C -0.015 176.810 176.870 -0.076 0.000 1.020 316 L CA -0.804 53.983 54.840 -0.089 0.000 0.812 316 L CB 1.648 43.629 42.059 -0.130 0.000 1.264 316 L HN 0.785 nan 8.230 nan 0.000 0.439 317 E N 1.731 122.020 120.200 0.148 0.000 2.388 317 E HA 0.380 4.730 4.350 -0.000 0.000 0.280 317 E C -1.548 175.222 176.600 0.283 0.000 1.019 317 E CA -0.820 55.713 56.400 0.220 0.000 0.806 317 E CB 1.586 31.342 29.700 0.093 0.000 1.246 317 E HN 0.415 nan 8.360 nan 0.000 0.443 318 I N 2.313 123.060 120.570 0.294 0.000 2.291 318 I HA 0.159 4.329 4.170 -0.000 0.000 0.290 318 I C 0.419 176.747 176.117 0.352 0.000 1.050 318 I CA -0.539 60.911 61.300 0.250 0.000 1.245 318 I CB 1.266 39.346 38.000 0.133 0.000 1.405 318 I HN 0.499 nan 8.210 nan 0.000 0.478 319 S N 4.397 120.239 115.700 0.238 0.000 2.552 319 S HA 0.004 4.474 4.470 -0.000 0.000 0.289 319 S C 1.284 175.962 174.600 0.131 0.000 1.304 319 S CA -0.092 58.198 58.200 0.151 0.000 1.063 319 S CB 0.526 63.775 63.200 0.083 0.000 0.848 319 S HN 0.666 nan 8.310 nan 0.000 0.499 320 E N 2.273 122.367 120.200 -0.177 0.000 2.204 320 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 320 E C 1.855 178.276 176.600 -0.299 0.000 0.989 320 E CA 1.244 57.242 56.400 -0.669 0.000 0.824 320 E CB -0.053 29.234 29.700 -0.688 0.000 0.756 320 E HN 0.833 nan 8.360 nan 0.000 0.477 321 S N 0.687 116.314 115.700 -0.123 0.000 2.607 321 S HA -0.076 4.394 4.470 -0.000 0.000 0.224 321 S C 0.688 175.283 174.600 -0.009 0.000 0.969 321 S CA -0.074 58.086 58.200 -0.066 0.000 0.927 321 S CB 0.018 63.191 63.200 -0.045 0.000 0.772 321 S HN 0.064 nan 8.310 nan 0.000 0.533 322 D N 3.469 123.907 120.400 0.063 0.000 2.417 322 D HA 0.108 4.748 4.640 -0.000 0.000 0.250 322 D C -1.255 175.083 176.300 0.064 0.000 1.166 322 D CA -1.721 52.349 54.000 0.116 0.000 0.881 322 D CB 1.473 42.405 40.800 0.220 0.000 1.164 322 D HN 0.089 nan 8.370 nan 0.000 0.467 323 P HA -0.106 nan 4.420 nan 0.000 0.225 323 P C 0.475 177.486 177.300 -0.482 0.000 1.148 323 P CA 0.861 63.767 63.100 -0.324 0.000 0.779 323 P CB -0.027 31.372 31.700 -0.502 0.000 0.780 324 F N -2.617 117.371 119.950 0.063 0.000 2.772 324 F HA 0.271 4.798 4.527 -0.000 0.000 0.302 324 F C 1.760 177.592 175.800 0.054 0.000 1.136 324 F CA -0.878 57.145 58.000 0.039 0.000 1.322 324 F CB -0.703 38.288 39.000 -0.014 0.000 0.967 324 F HN -0.251 nan 8.300 nan 0.000 0.513 325 F N 1.838 121.838 119.950 0.082 0.000 2.043 325 F HA -0.307 4.220 4.527 -0.000 0.000 0.297 325 F C 2.107 177.943 175.800 0.059 0.000 1.118 325 F CA 2.118 60.154 58.000 0.059 0.000 1.202 325 F CB -0.203 38.812 39.000 0.026 0.000 0.965 325 F HN -0.003 nan 8.300 nan 0.000 0.482 326 D N 0.219 120.663 120.400 0.073 0.000 2.116 326 D HA -0.213 4.427 4.640 -0.000 0.000 0.193 326 D C 1.921 178.162 176.300 -0.099 0.000 0.998 326 D CA 1.798 55.774 54.000 -0.040 0.000 0.836 326 D CB -0.581 40.280 40.800 0.102 0.000 0.951 326 D HN 0.435 nan 8.370 nan 0.000 0.449 327 D N 0.780 121.176 120.400 -0.007 0.000 2.097 327 D HA -0.081 4.559 4.640 -0.000 0.000 0.197 327 D C 2.076 178.337 176.300 -0.065 0.000 0.984 327 D CA 0.732 54.731 54.000 -0.002 0.000 0.826 327 D CB 0.015 40.857 40.800 0.070 0.000 0.973 327 D HN 0.239 nan 8.370 nan 0.000 0.460 328 K N 0.432 120.779 120.400 -0.088 0.000 2.032 328 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 328 K C 2.158 178.643 176.600 -0.192 0.000 1.048 328 K CA 0.582 56.789 56.287 -0.133 0.000 0.927 328 K CB -0.303 32.127 32.500 -0.116 0.000 0.712 328 K HN 0.030 nan 8.250 nan 0.000 0.441 329 L N 2.037 123.050 121.223 -0.350 0.000 2.127 329 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 329 L C 1.897 178.665 176.870 -0.171 0.000 1.089 329 L CA 1.856 56.489 54.840 -0.345 0.000 0.757 329 L CB -0.523 41.136 42.059 -0.666 0.000 0.899 329 L HN 0.206 nan 8.230 nan 0.000 0.434 330 D N -0.986 119.328 120.400 -0.143 0.000 2.117 330 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 330 D C 2.064 178.348 176.300 -0.027 0.000 0.987 330 D CA 1.666 55.627 54.000 -0.065 0.000 0.829 330 D CB 0.310 41.086 40.800 -0.040 0.000 0.961 330 D HN 0.312 nan 8.370 nan 0.000 0.460 331 V N 1.431 121.338 119.914 -0.012 0.000 2.358 331 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 331 V C 2.674 178.811 176.094 0.072 0.000 1.047 331 V CA 1.718 64.053 62.300 0.059 0.000 1.035 331 V CB -0.715 31.161 31.823 0.088 0.000 0.658 331 V HN 0.223 nan 8.190 nan 0.000 0.452 332 A N -0.226 122.619 122.820 0.042 0.000 1.877 332 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 332 A C 2.170 179.780 177.584 0.043 0.000 1.186 332 A CA 1.930 54.013 52.037 0.078 0.000 0.620 332 A CB -0.473 18.550 19.000 0.038 0.000 0.822 332 A HN 0.629 nan 8.150 nan 0.000 0.443 333 E N -0.035 120.168 120.200 0.006 0.000 2.106 333 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 333 E C 2.039 178.596 176.600 -0.072 0.000 0.984 333 E CA 1.116 57.502 56.400 -0.023 0.000 0.806 333 E CB -0.191 29.497 29.700 -0.019 0.000 0.750 333 E HN 0.527 nan 8.360 nan 0.000 0.458 334 S N 1.051 116.711 115.700 -0.066 0.000 2.500 334 S HA -0.033 4.437 4.470 -0.000 0.000 0.239 334 S C 0.973 175.480 174.600 -0.156 0.000 0.989 334 S CA 0.564 58.718 58.200 -0.077 0.000 0.951 334 S CB -0.033 63.148 63.200 -0.031 0.000 0.759 334 S HN 0.250 nan 8.310 nan 0.000 0.523 335 N N 0.018 118.567 118.700 -0.253 0.000 2.365 335 N HA 0.219 4.959 4.740 -0.000 0.000 0.257 335 N C 0.709 175.940 175.510 -0.466 0.000 1.287 335 N CA 0.471 53.238 53.050 -0.471 0.000 0.882 335 N CB 1.217 39.069 38.487 -1.057 0.000 1.250 335 N HN 0.389 nan 8.380 nan 0.000 0.507 336 G N 0.808 109.388 108.800 -0.368 0.000 2.148 336 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.254 336 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.254 336 G C -0.302 174.163 174.900 -0.724 0.000 0.981 336 G CA 0.013 44.801 45.100 -0.520 0.000 0.670 336 G HN 0.307 nan 8.290 nan 0.000 0.528 337 F N 0.651 120.562 119.950 -0.065 0.000 2.507 337 F HA 0.757 5.284 4.527 -0.000 0.000 0.325 337 F C 0.645 176.506 175.800 0.103 0.000 1.116 337 F CA -0.367 57.681 58.000 0.081 0.000 0.930 337 F CB 1.885 41.081 39.000 0.327 0.000 1.146 337 F HN 0.272 nan 8.300 nan 0.000 0.447 338 A N 1.925 124.899 122.820 0.256 0.000 2.250 338 A HA 0.225 4.545 4.320 -0.000 0.000 0.283 338 A C 1.351 179.084 177.584 0.248 0.000 1.206 338 A CA -0.322 51.820 52.037 0.175 0.000 0.840 338 A CB 0.445 19.505 19.000 0.101 0.000 1.220 338 A HN 0.779 nan 8.150 nan 0.000 0.505 339 Q N -0.738 119.171 119.800 0.181 0.000 2.291 339 Q HA -0.078 4.262 4.340 -0.000 0.000 0.206 339 Q C -0.401 175.732 176.000 0.221 0.000 0.976 339 Q CA 1.540 57.472 55.803 0.215 0.000 0.875 339 Q CB -0.093 28.784 28.738 0.232 0.000 0.927 339 Q HN 0.689 nan 8.270 nan 0.000 0.450 340 T N 0.375 115.003 114.554 0.124 0.000 2.879 340 T HA 0.689 5.039 4.350 -0.000 0.000 0.290 340 T C -1.375 173.234 174.700 -0.152 0.000 0.993 340 T CA -0.318 61.762 62.100 -0.034 0.000 0.975 340 T CB 1.630 70.454 68.868 -0.073 0.000 0.981 340 T HN 0.201 nan 8.240 nan 0.000 0.439 341 A N 3.061 125.659 122.820 -0.369 0.000 2.414 341 A HA 0.821 5.141 4.320 -0.000 0.000 0.306 341 A C -1.756 175.407 177.584 -0.702 0.000 1.054 341 A CA -0.717 51.038 52.037 -0.470 0.000 0.724 341 A CB 1.049 19.728 19.000 -0.536 0.000 1.267 341 A HN 0.796 nan 8.150 nan 0.000 0.418 342 Y N 0.353 120.411 120.300 -0.404 0.000 2.341 342 Y HA 0.588 5.138 4.550 -0.000 0.000 0.337 342 Y C -0.733 174.890 175.900 -0.460 0.000 1.014 342 Y CA -0.205 57.716 58.100 -0.297 0.000 1.111 342 Y CB 1.658 40.021 38.460 -0.160 0.000 1.194 342 Y HN 0.545 nan 8.280 nan 0.000 0.462 343 F N 2.780 122.809 119.950 0.133 0.000 2.403 343 F HA 0.291 4.818 4.527 -0.000 0.000 0.355 343 F C -0.325 175.568 175.800 0.155 0.000 1.119 343 F CA -1.145 56.935 58.000 0.133 0.000 1.007 343 F CB 0.980 40.026 39.000 0.077 0.000 1.194 343 F HN 0.423 nan 8.300 nan 0.000 0.443 344 D N 4.957 125.550 120.400 0.321 0.000 2.312 344 D HA 0.298 4.938 4.640 -0.000 0.000 0.252 344 D C 0.024 176.526 176.300 0.335 0.000 1.150 344 D CA 0.302 54.462 54.000 0.268 0.000 0.870 344 D CB 1.714 42.701 40.800 0.313 0.000 1.153 344 D HN 0.371 nan 8.370 nan 0.000 0.457 345 I N 3.183 123.894 120.570 0.234 0.000 2.359 345 I HA 0.207 4.377 4.170 -0.000 0.000 0.284 345 I C -0.322 175.909 176.117 0.189 0.000 1.018 345 I CA -0.663 60.793 61.300 0.260 0.000 1.173 345 I CB 0.538 38.675 38.000 0.229 0.000 1.326 345 I HN 0.040 nan 8.210 nan 0.000 0.462 346 F N 5.043 125.090 119.950 0.161 0.000 2.379 346 F HA 0.285 4.812 4.527 -0.000 0.000 0.332 346 F C 0.341 176.251 175.800 0.183 0.000 1.096 346 F CA -0.441 57.664 58.000 0.175 0.000 1.105 346 F CB 0.662 39.742 39.000 0.134 0.000 1.189 346 F HN 0.291 nan 8.300 nan 0.000 0.515 347 Y N 3.785 124.242 120.300 0.261 0.000 2.712 347 Y HA -0.047 4.503 4.550 -0.000 0.000 0.333 347 Y C 1.167 177.166 175.900 0.166 0.000 1.225 347 Y CA 0.380 58.593 58.100 0.188 0.000 1.499 347 Y CB 0.102 38.675 38.460 0.188 0.000 1.288 347 Y HN 0.722 nan 8.280 nan 0.000 0.575 348 N N 1.442 119.832 118.700 -0.517 0.000 2.857 348 N HA -0.316 4.424 4.740 -0.000 0.000 0.242 348 N C -0.141 175.318 175.510 -0.085 0.000 0.983 348 N CA 1.410 54.261 53.050 -0.331 0.000 0.934 348 N CB -0.758 37.612 38.487 -0.195 0.000 1.115 348 N HN 0.732 nan 8.380 nan 0.000 0.593 349 R N 1.016 121.522 120.500 0.012 0.000 2.536 349 R HA 0.387 4.727 4.340 -0.000 0.000 0.279 349 R C 0.210 176.531 176.300 0.035 0.000 1.001 349 R CA -0.021 56.108 56.100 0.048 0.000 1.027 349 R CB 0.730 31.102 30.300 0.120 0.000 1.096 349 R HN 0.157 nan 8.270 nan 0.000 0.502 350 T N 1.072 115.641 114.554 0.025 0.000 2.899 350 T HA 0.221 4.571 4.350 -0.000 0.000 0.295 350 T C 0.891 175.622 174.700 0.051 0.000 1.033 350 T CA -0.756 61.353 62.100 0.016 0.000 1.084 350 T CB 0.526 69.395 68.868 0.003 0.000 0.979 350 T HN 0.388 nan 8.240 nan 0.000 0.532 351 L N 2.454 123.698 121.223 0.035 0.000 2.543 351 L HA 0.158 4.498 4.340 -0.000 0.000 0.285 351 L C -1.818 175.101 176.870 0.081 0.000 1.236 351 L CA -1.434 53.443 54.840 0.061 0.000 0.871 351 L CB -0.411 41.660 42.059 0.019 0.000 1.121 351 L HN 0.531 nan 8.230 nan 0.000 0.501 352 P HA 0.154 nan 4.420 nan 0.000 0.271 352 P C -2.420 174.972 177.300 0.153 0.000 1.216 352 P CA -0.974 62.243 63.100 0.196 0.000 0.776 352 P CB 0.042 31.952 31.700 0.350 0.000 0.881 353 P HA 0.121 nan 4.420 nan 0.000 0.269 353 P C 1.034 178.528 177.300 0.323 0.000 1.209 353 P CA 0.760 63.992 63.100 0.220 0.000 0.776 353 P CB 0.279 32.128 31.700 0.248 0.000 0.876 354 G N 1.110 110.062 108.800 0.254 0.000 2.299 354 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.237 354 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.237 354 G C 0.724 175.472 174.900 -0.254 0.000 1.027 354 G CA 0.385 45.648 45.100 0.271 0.000 0.619 354 G HN 0.577 nan 8.290 nan 0.000 0.513 355 L N 1.095 121.916 121.223 -0.671 0.000 1.976 355 L HA 0.228 4.568 4.340 -0.000 0.000 0.209 355 L C 2.764 179.363 176.870 -0.452 0.000 1.071 355 L CA 2.703 56.847 54.840 -1.160 0.000 0.746 355 L CB -0.674 40.888 42.059 -0.829 0.000 0.890 355 L HN 0.418 nan 8.230 nan 0.000 0.432 356 L N 0.161 121.244 121.223 -0.233 0.000 1.994 356 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 356 L C -0.098 176.665 176.870 -0.179 0.000 1.071 356 L CA 1.793 56.560 54.840 -0.122 0.000 0.745 356 L CB -2.128 39.881 42.059 -0.082 0.000 0.892 356 L HN 0.296 nan 8.230 nan 0.000 0.431 357 P HA -0.261 nan 4.420 nan 0.000 0.216 357 P C 1.428 178.459 177.300 -0.448 0.000 1.150 357 P CA 1.745 64.539 63.100 -0.510 0.000 0.837 357 P CB -0.124 31.044 31.700 -0.887 0.000 0.786 358 Y N 0.290 120.374 120.300 -0.360 0.000 2.200 358 Y HA -0.091 4.459 4.550 -0.000 0.000 0.290 358 Y C 2.619 178.432 175.900 -0.145 0.000 1.137 358 Y CA 1.018 59.014 58.100 -0.172 0.000 1.163 358 Y CB -0.710 37.689 38.460 -0.102 0.000 0.988 358 Y HN -0.257 nan 8.280 nan 0.000 0.518 359 L N -0.212 121.043 121.223 0.054 0.000 2.046 359 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 359 L C 2.493 179.336 176.870 -0.045 0.000 1.077 359 L CA 1.446 56.297 54.840 0.018 0.000 0.747 359 L CB -0.353 41.688 42.059 -0.031 0.000 0.896 359 L HN 0.205 nan 8.230 nan 0.000 0.432 360 R N -0.797 119.639 120.500 -0.107 0.000 2.092 360 R HA -0.177 4.163 4.340 -0.000 0.000 0.231 360 R C 2.130 178.321 176.300 -0.181 0.000 1.119 360 R CA 1.078 57.094 56.100 -0.140 0.000 0.970 360 R CB -0.454 29.742 30.300 -0.175 0.000 0.864 360 R HN 0.206 nan 8.270 nan 0.000 0.440 361 L N 0.769 121.855 121.223 -0.228 0.000 2.017 361 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 361 L C 2.140 178.901 176.870 -0.181 0.000 1.073 361 L CA 1.532 56.222 54.840 -0.250 0.000 0.745 361 L CB -0.473 41.386 42.059 -0.335 0.000 0.894 361 L HN -0.115 nan 8.230 nan 0.000 0.432 362 V N 0.087 119.925 119.914 -0.126 0.000 2.287 362 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 362 V C 2.609 178.688 176.094 -0.025 0.000 1.053 362 V CA 1.824 64.108 62.300 -0.028 0.000 1.027 362 V CB -1.074 30.795 31.823 0.076 0.000 0.646 362 V HN 0.610 nan 8.190 nan 0.000 0.447 363 A N -1.186 121.605 122.820 -0.048 0.000 2.208 363 A HA 0.038 4.358 4.320 -0.000 0.000 0.209 363 A C 1.836 179.370 177.584 -0.084 0.000 1.161 363 A CA 0.658 52.665 52.037 -0.050 0.000 0.782 363 A CB -0.358 18.611 19.000 -0.052 0.000 0.816 363 A HN 0.405 nan 8.150 nan 0.000 0.477 364 L N -0.161 120.984 121.223 -0.131 0.000 2.156 364 L HA -0.131 4.208 4.340 -0.000 0.000 0.248 364 L C 1.262 178.013 176.870 -0.197 0.000 1.108 364 L CA 2.627 57.343 54.840 -0.206 0.000 0.842 364 L CB -1.006 40.886 42.059 -0.278 0.000 0.950 364 L HN 1.207 nan 8.230 nan 0.000 0.441 365 G N -4.799 103.891 108.800 -0.184 0.000 2.697 365 G HA2 0.142 4.102 3.960 -0.000 0.000 0.686 365 G HA3 0.142 4.102 3.960 -0.000 0.000 0.686 365 G C 0.525 175.302 174.900 -0.204 0.000 1.179 365 G CA -0.179 44.856 45.100 -0.109 0.000 0.765 365 G HN 1.028 nan 8.290 nan 0.000 0.649 366 G N -0.169 108.636 108.800 0.007 0.000 2.505 366 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.220 366 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.220 366 G C 1.915 176.788 174.900 -0.045 0.000 1.145 366 G CA 2.558 47.689 45.100 0.052 0.000 0.761 366 G HN 1.434 nan 8.290 nan 0.000 0.571 367 T N 0.831 115.362 114.554 -0.038 0.000 2.720 367 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 367 T C 1.537 176.239 174.700 0.003 0.000 1.037 367 T CA 1.526 63.626 62.100 -0.000 0.000 1.144 367 T CB -0.168 68.694 68.868 -0.009 0.000 0.864 367 T HN 0.321 nan 8.240 nan 0.000 0.444 368 D N 0.605 120.883 120.400 -0.203 0.000 2.368 368 D HA 0.352 4.992 4.640 -0.000 0.000 0.218 368 D C 1.767 177.593 176.300 -0.790 0.000 1.112 368 D CA 0.071 53.774 54.000 -0.496 0.000 0.834 368 D CB 0.082 40.604 40.800 -0.463 0.000 0.953 368 D HN 0.342 nan 8.370 nan 0.000 0.505 369 A N 1.053 123.530 122.820 -0.572 0.000 2.070 369 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 369 A C 1.785 179.082 177.584 -0.477 0.000 1.159 369 A CA 0.643 52.262 52.037 -0.697 0.000 0.656 369 A CB -1.081 17.381 19.000 -0.897 0.000 0.800 369 A HN 0.370 nan 8.150 nan 0.000 0.453 370 F N -0.777 119.011 119.950 -0.270 0.000 2.408 370 F HA -0.016 4.511 4.527 -0.000 0.000 0.300 370 F C 1.325 176.954 175.800 -0.284 0.000 1.090 370 F CA 0.817 58.712 58.000 -0.175 0.000 1.427 370 F CB -0.762 38.166 39.000 -0.120 0.000 1.070 370 F HN 0.100 nan 8.300 nan 0.000 0.549 371 L N 0.276 120.750 121.223 -1.247 0.000 2.376 371 L HA -0.024 4.316 4.340 -0.000 0.000 0.219 371 L C 1.997 178.566 176.870 -0.501 0.000 1.133 371 L CA 0.452 54.542 54.840 -1.251 0.000 0.816 371 L CB -0.396 40.854 42.059 -1.349 0.000 0.933 371 L HN 0.292 nan 8.230 nan 0.000 0.449 372 L N -1.099 119.927 121.223 -0.327 0.000 2.554 372 L HA 0.033 4.373 4.340 -0.000 0.000 0.226 372 L C 0.794 177.682 176.870 0.030 0.000 1.137 372 L CA -0.085 54.678 54.840 -0.128 0.000 0.863 372 L CB -0.233 41.737 42.059 -0.148 0.000 0.985 372 L HN 0.139 nan 8.230 nan 0.000 0.451 373 E N 0.270 120.539 120.200 0.115 0.000 2.398 373 E HA 0.003 4.353 4.350 -0.000 0.000 0.263 373 E C 1.253 177.965 176.600 0.187 0.000 1.046 373 E CA 0.060 56.568 56.400 0.179 0.000 0.908 373 E CB 1.009 30.858 29.700 0.248 0.000 0.963 373 E HN -0.021 nan 8.360 nan 0.000 0.431 374 S N 1.424 117.193 115.700 0.114 0.000 2.441 374 S HA -0.226 4.244 4.470 -0.000 0.000 0.242 374 S C 1.697 176.331 174.600 0.058 0.000 1.018 374 S CA 0.891 59.138 58.200 0.079 0.000 0.988 374 S CB -0.132 63.098 63.200 0.051 0.000 0.778 374 S HN 0.455 nan 8.310 nan 0.000 0.498 375 L N 0.472 121.714 121.223 0.033 0.000 2.083 375 L HA 0.007 4.347 4.340 -0.000 0.000 0.209 375 L C 1.206 177.921 176.870 -0.258 0.000 1.083 375 L CA 1.832 56.576 54.840 -0.160 0.000 0.752 375 L CB -0.460 41.407 42.059 -0.319 0.000 0.899 375 L HN 0.275 nan 8.230 nan 0.000 0.433 376 F N -1.412 118.576 119.950 0.063 0.000 2.695 376 F HA 0.289 4.815 4.527 -0.000 0.000 0.303 376 F C 1.329 177.175 175.800 0.077 0.000 1.091 376 F CA -0.380 57.670 58.000 0.084 0.000 1.300 376 F CB -0.278 38.759 39.000 0.060 0.000 1.071 376 F HN -0.210 nan 8.300 nan 0.000 0.578 377 R N 1.157 121.775 120.500 0.196 0.000 3.425 377 R HA -0.044 4.296 4.340 -0.000 0.000 0.213 377 R C -0.025 176.346 176.300 0.119 0.000 1.890 377 R CA 0.525 56.709 56.100 0.141 0.000 1.589 377 R CB -1.023 29.332 30.300 0.092 0.000 1.095 377 R HN 0.351 nan 8.270 nan 0.000 0.547 378 D N -2.353 118.135 120.400 0.146 0.000 2.412 378 D HA -0.008 4.632 4.640 -0.000 0.000 0.326 378 D C 0.729 177.110 176.300 0.135 0.000 1.209 378 D CA 0.552 54.621 54.000 0.114 0.000 0.876 378 D CB 0.986 41.831 40.800 0.075 0.000 1.344 378 D HN 0.286 nan 8.370 nan 0.000 0.503 379 T N -1.723 112.947 114.554 0.194 0.000 2.993 379 T HA 0.063 4.413 4.350 -0.000 0.000 0.260 379 T C 1.744 176.570 174.700 0.211 0.000 0.939 379 T CA -0.126 62.071 62.100 0.162 0.000 0.886 379 T CB 0.284 69.248 68.868 0.160 0.000 1.209 379 T HN -0.057 nan 8.240 nan 0.000 0.518 380 I N 1.268 122.020 120.570 0.304 0.000 2.185 380 I HA -0.107 4.063 4.170 -0.000 0.000 0.246 380 I C 1.948 178.162 176.117 0.160 0.000 1.088 380 I CA 1.308 62.742 61.300 0.224 0.000 1.347 380 I CB -0.563 37.526 38.000 0.149 0.000 1.041 380 I HN 0.537 nan 8.210 nan 0.000 0.415 381 W N 1.022 122.351 121.300 0.048 0.000 2.418 381 W HA -0.064 4.596 4.660 -0.000 0.000 0.292 381 W C 2.204 178.740 176.519 0.028 0.000 1.213 381 W CA 1.397 58.764 57.345 0.036 0.000 1.283 381 W CB -0.649 28.847 29.460 0.061 0.000 1.119 381 W HN 0.306 nan 8.180 nan 0.000 0.542 382 G N -0.407 108.448 108.800 0.092 0.000 2.418 382 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 382 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 382 G C 1.306 176.140 174.900 -0.110 0.000 1.158 382 G CA 1.041 46.123 45.100 -0.029 0.000 0.771 382 G HN 0.277 nan 8.290 nan 0.000 0.545 383 H N 0.435 119.498 119.070 -0.011 0.000 2.353 383 H HA 0.041 4.597 4.556 -0.000 0.000 0.300 383 H C 2.767 178.010 175.328 -0.142 0.000 1.090 383 H CA 1.011 57.041 56.048 -0.029 0.000 1.327 383 H CB -0.372 29.361 29.762 -0.049 0.000 1.383 383 H HN 0.249 nan 8.280 nan 0.000 0.508 384 L N 0.639 121.767 121.223 -0.158 0.000 2.079 384 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 384 L C 2.304 178.967 176.870 -0.345 0.000 1.081 384 L CA 1.336 55.964 54.840 -0.355 0.000 0.752 384 L CB -0.318 41.323 42.059 -0.696 0.000 0.896 384 L HN 0.326 nan 8.230 nan 0.000 0.433 385 E N -0.101 119.898 120.200 -0.336 0.000 2.208 385 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 385 E C 1.959 178.493 176.600 -0.109 0.000 0.988 385 E CA 0.731 56.999 56.400 -0.220 0.000 0.828 385 E CB 0.062 29.677 29.700 -0.142 0.000 0.763 385 E HN 0.506 nan 8.360 nan 0.000 0.478 386 L N 0.802 121.987 121.223 -0.064 0.000 2.592 386 L HA 0.101 4.440 4.340 -0.000 0.000 0.227 386 L C 0.070 176.938 176.870 -0.004 0.000 1.127 386 L CA -0.246 54.581 54.840 -0.022 0.000 0.884 386 L CB -0.204 41.868 42.059 0.022 0.000 1.065 386 L HN 0.050 nan 8.230 nan 0.000 0.457 387 S N -2.862 112.840 115.700 0.003 0.000 3.037 387 S HA -0.120 4.350 4.470 -0.000 0.000 0.855 387 S C 0.153 174.856 174.600 0.172 0.000 0.983 387 S CA -0.120 58.130 58.200 0.083 0.000 1.331 387 S CB -0.655 62.594 63.200 0.082 0.000 0.947 387 S HN -0.149 nan 8.310 nan 0.000 0.240 388 V N 2.232 122.234 119.914 0.146 0.000 2.403 388 V HA 0.474 4.594 4.120 -0.000 0.000 0.239 388 V C 1.353 177.505 176.094 0.097 0.000 1.041 388 V CA 1.619 63.950 62.300 0.051 0.000 1.051 388 V CB -0.172 31.565 31.823 -0.143 0.000 0.704 388 V HN 1.927 nan 8.190 nan 0.000 0.472 389 S N -1.647 113.967 115.700 -0.142 0.000 2.615 389 S HA 0.393 4.863 4.470 -0.000 0.000 0.268 389 S C 0.189 173.969 174.600 -1.366 0.000 1.146 389 S CA -0.348 57.438 58.200 -0.689 0.000 0.818 389 S CB 2.025 65.040 63.200 -0.308 0.000 1.111 389 S HN 0.153 nan 8.310 nan 0.000 0.465 390 R N 0.361 119.889 120.500 -1.620 0.000 2.081 390 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 390 R C 0.877 176.952 176.300 -0.375 0.000 1.131 390 R CA 2.204 57.749 56.100 -0.924 0.000 0.960 390 R CB -0.583 29.471 30.300 -0.411 0.000 0.856 390 R HN 0.746 nan 8.270 nan 0.000 0.436 391 D N -0.028 120.196 120.400 -0.294 0.000 2.178 391 D HA -0.185 4.455 4.640 -0.000 0.000 0.201 391 D C 1.495 177.709 176.300 -0.143 0.000 0.980 391 D CA 0.826 54.729 54.000 -0.162 0.000 0.842 391 D CB -0.437 40.289 40.800 -0.123 0.000 0.948 391 D HN 0.362 nan 8.370 nan 0.000 0.472 392 N N 0.924 119.511 118.700 -0.188 0.000 2.106 392 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 392 N C 1.671 177.135 175.510 -0.077 0.000 1.029 392 N CA 1.034 54.003 53.050 -0.136 0.000 0.848 392 N CB 0.180 38.572 38.487 -0.157 0.000 1.007 392 N HN -0.005 nan 8.380 nan 0.000 0.423 393 E N 1.165 121.328 120.200 -0.061 0.000 2.072 393 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 393 E C 1.800 178.426 176.600 0.043 0.000 0.985 393 E CA 1.062 57.491 56.400 0.047 0.000 0.801 393 E CB -0.197 29.608 29.700 0.174 0.000 0.750 393 E HN 0.402 nan 8.360 nan 0.000 0.452 394 E N -0.121 120.081 120.200 0.003 0.000 2.110 394 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 394 E C 2.109 178.711 176.600 0.004 0.000 0.988 394 E CA 0.807 57.214 56.400 0.012 0.000 0.804 394 E CB -0.122 29.571 29.700 -0.011 0.000 0.745 394 E HN 0.318 nan 8.360 nan 0.000 0.458 395 L N 0.832 122.044 121.223 -0.019 0.000 1.988 395 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 395 L C 2.660 179.517 176.870 -0.022 0.000 1.071 395 L CA 1.401 56.227 54.840 -0.024 0.000 0.744 395 L CB -0.419 41.618 42.059 -0.037 0.000 0.893 395 L HN 0.295 nan 8.230 nan 0.000 0.433 396 L N -1.922 119.290 121.223 -0.018 0.000 2.083 396 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 396 L C 2.511 179.350 176.870 -0.051 0.000 1.083 396 L CA 1.665 56.485 54.840 -0.032 0.000 0.752 396 L CB -1.790 40.264 42.059 -0.010 0.000 0.899 396 L HN 0.163 nan 8.230 nan 0.000 0.433 397 C N -0.102 119.223 119.300 0.042 0.000 2.432 397 C HA -0.120 4.340 4.460 -0.000 0.000 0.277 397 C C 2.899 177.882 174.990 -0.012 0.000 1.249 397 C CA 1.176 60.252 59.018 0.097 0.000 1.725 397 C CB -0.800 27.054 27.740 0.190 0.000 2.028 397 C HN 0.665 nan 8.230 nan 0.000 0.477 398 K N 1.729 122.125 120.400 -0.007 0.000 2.032 398 K HA -0.090 4.230 4.320 -0.000 0.000 0.209 398 K C 2.029 178.597 176.600 -0.053 0.000 1.048 398 K CA 2.037 58.312 56.287 -0.020 0.000 0.927 398 K CB -0.685 31.808 32.500 -0.012 0.000 0.712 398 K HN 0.385 nan 8.250 nan 0.000 0.441 399 A N -0.009 122.768 122.820 -0.071 0.000 1.865 399 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 399 A C 2.386 179.887 177.584 -0.139 0.000 1.191 399 A CA 2.105 54.090 52.037 -0.087 0.000 0.623 399 A CB -0.980 17.973 19.000 -0.079 0.000 0.826 399 A HN 0.124 nan 8.150 nan 0.000 0.444 400 V N 0.192 119.954 119.914 -0.252 0.000 2.295 400 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 400 V C 2.680 178.627 176.094 -0.246 0.000 1.049 400 V CA 2.250 64.326 62.300 -0.375 0.000 1.024 400 V CB -0.855 30.419 31.823 -0.915 0.000 0.648 400 V HN 0.511 nan 8.190 nan 0.000 0.447 401 R N -0.252 120.145 120.500 -0.172 0.000 2.081 401 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 401 R C 2.282 178.549 176.300 -0.054 0.000 1.131 401 R CA 1.336 57.395 56.100 -0.070 0.000 0.960 401 R CB -0.344 29.951 30.300 -0.009 0.000 0.856 401 R HN 0.524 nan 8.270 nan 0.000 0.436 402 E N 0.641 120.809 120.200 -0.054 0.000 2.106 402 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 402 E C 1.965 178.542 176.600 -0.038 0.000 0.984 402 E CA 1.136 57.515 56.400 -0.036 0.000 0.806 402 E CB -0.162 29.520 29.700 -0.029 0.000 0.750 402 E HN 0.314 nan 8.360 nan 0.000 0.458 403 A N 0.757 123.542 122.820 -0.058 0.000 1.933 403 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 403 A C 2.602 180.155 177.584 -0.052 0.000 1.175 403 A CA 1.329 53.337 52.037 -0.048 0.000 0.628 403 A CB -0.824 18.141 19.000 -0.059 0.000 0.814 403 A HN 0.327 nan 8.150 nan 0.000 0.444 404 C N -0.578 118.676 119.300 -0.076 0.000 2.453 404 C HA -0.054 4.406 4.460 -0.000 0.000 0.277 404 C C 2.719 177.685 174.990 -0.040 0.000 1.262 404 C CA 1.214 60.182 59.018 -0.083 0.000 1.718 404 C CB -1.008 26.684 27.740 -0.079 0.000 2.031 404 C HN 0.622 nan 8.230 nan 0.000 0.480 405 K N 0.719 121.105 120.400 -0.024 0.000 2.032 405 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 405 K C 2.344 178.950 176.600 0.010 0.000 1.048 405 K CA 1.752 58.036 56.287 -0.004 0.000 0.927 405 K CB -0.471 32.027 32.500 -0.003 0.000 0.712 405 K HN 0.396 nan 8.250 nan 0.000 0.441 406 S N 0.491 116.192 115.700 0.003 0.000 2.356 406 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 406 S C 2.082 176.697 174.600 0.024 0.000 1.032 406 S CA 1.315 59.522 58.200 0.011 0.000 1.005 406 S CB -0.247 62.955 63.200 0.003 0.000 0.867 406 S HN 0.396 nan 8.310 nan 0.000 0.449 407 A N 1.448 124.284 122.820 0.025 0.000 1.877 407 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 407 A C 2.218 179.892 177.584 0.151 0.000 1.186 407 A CA 1.513 53.583 52.037 0.055 0.000 0.620 407 A CB -0.952 18.068 19.000 0.033 0.000 0.822 407 A HN 0.563 nan 8.150 nan 0.000 0.443 408 L N -0.678 120.636 121.223 0.152 0.000 2.043 408 L HA -0.254 4.086 4.340 -0.000 0.000 0.212 408 L C 2.951 179.975 176.870 0.256 0.000 1.075 408 L CA 1.164 56.136 54.840 0.219 0.000 0.752 408 L CB -0.471 41.620 42.059 0.053 0.000 0.891 408 L HN 0.455 nan 8.230 nan 0.000 0.432 409 A N -0.130 122.769 122.820 0.131 0.000 2.172 409 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 409 A C 2.197 179.837 177.584 0.094 0.000 1.154 409 A CA 1.261 53.356 52.037 0.097 0.000 0.701 409 A CB -0.830 18.200 19.000 0.051 0.000 0.789 409 A HN 0.468 nan 8.150 nan 0.000 0.465 410 G N -1.848 106.995 108.800 0.070 0.000 2.813 410 G HA2 0.226 4.186 3.960 -0.000 0.000 0.209 410 G HA3 0.226 4.186 3.960 -0.000 0.000 0.209 410 G C 0.324 175.166 174.900 -0.097 0.000 1.150 410 G CA -0.014 45.054 45.100 -0.054 0.000 0.785 410 G HN 0.453 nan 8.290 nan 0.000 0.535 411 Y N -0.038 120.298 120.300 0.059 0.000 2.316 411 Y HA 0.309 4.859 4.550 -0.000 0.000 0.324 411 Y C 1.641 177.601 175.900 0.100 0.000 1.267 411 Y CA -0.849 57.303 58.100 0.088 0.000 1.311 411 Y CB 0.885 39.359 38.460 0.023 0.000 1.267 411 Y HN 0.282 nan 8.280 nan 0.000 0.516 412 H N -1.283 117.885 119.070 0.163 0.000 2.549 412 H HA 0.240 4.796 4.556 -0.000 0.000 0.279 412 H C -0.557 174.821 175.328 0.082 0.000 1.018 412 H CA 0.425 56.529 56.048 0.093 0.000 1.175 412 H CB -0.224 29.575 29.762 0.062 0.000 1.485 412 H HN 0.552 nan 8.280 nan 0.000 0.543 413 T N -1.053 113.321 114.554 -0.300 0.000 2.896 413 T HA 0.429 4.779 4.350 -0.000 0.000 0.297 413 T C 0.036 174.658 174.700 -0.130 0.000 1.108 413 T CA -0.510 61.438 62.100 -0.254 0.000 1.004 413 T CB 2.419 71.066 68.868 -0.369 0.000 1.159 413 T HN 0.286 nan 8.240 nan 0.000 0.499 414 T N -0.482 114.013 114.554 -0.099 0.000 2.918 414 T HA 0.486 4.836 4.350 -0.000 0.000 0.283 414 T C 1.391 176.027 174.700 -0.106 0.000 1.001 414 T CA -1.010 61.039 62.100 -0.084 0.000 1.041 414 T CB 0.684 69.520 68.868 -0.054 0.000 1.028 414 T HN 0.630 nan 8.240 nan 0.000 0.511 415 I N 0.656 121.158 120.570 -0.113 0.000 2.335 415 I HA -0.168 4.002 4.170 -0.000 0.000 0.251 415 I C 2.236 178.304 176.117 -0.083 0.000 1.129 415 I CA 1.487 62.716 61.300 -0.119 0.000 1.402 415 I CB -0.096 37.834 38.000 -0.118 0.000 1.069 415 I HN 0.757 nan 8.210 nan 0.000 0.424 416 E N 0.386 120.548 120.200 -0.063 0.000 2.077 416 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 416 E C 2.112 178.686 176.600 -0.044 0.000 0.989 416 E CA 1.187 57.560 56.400 -0.045 0.000 0.800 416 E CB -0.215 29.465 29.700 -0.033 0.000 0.746 416 E HN 0.535 nan 8.360 nan 0.000 0.452 417 Q N 0.442 120.211 119.800 -0.052 0.000 2.084 417 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 417 Q C 1.567 177.537 176.000 -0.050 0.000 0.978 417 Q CA 1.385 57.159 55.803 -0.048 0.000 0.844 417 Q CB -0.087 28.615 28.738 -0.060 0.000 0.898 417 Q HN 0.311 nan 8.270 nan 0.000 0.426 418 D N 0.518 120.877 120.400 -0.067 0.000 2.097 418 D HA -0.133 4.506 4.640 -0.000 0.000 0.195 418 D C 1.884 178.159 176.300 -0.041 0.000 0.989 418 D CA 1.116 55.080 54.000 -0.059 0.000 0.827 418 D CB -0.191 40.559 40.800 -0.085 0.000 0.966 418 D HN 0.180 nan 8.370 nan 0.000 0.456 419 R N 0.589 121.062 120.500 -0.045 0.000 2.120 419 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 419 R C 2.220 178.508 176.300 -0.020 0.000 1.123 419 R CA 0.878 56.959 56.100 -0.031 0.000 0.975 419 R CB -0.076 30.205 30.300 -0.033 0.000 0.866 419 R HN 0.321 nan 8.270 nan 0.000 0.446 420 E N 0.880 121.067 120.200 -0.021 0.000 2.046 420 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 420 E C 1.965 178.559 176.600 -0.010 0.000 0.982 420 E CA 0.694 57.086 56.400 -0.014 0.000 0.800 420 E CB 0.061 29.753 29.700 -0.015 0.000 0.756 420 E HN 0.232 nan 8.360 nan 0.000 0.449 421 L N 0.988 122.204 121.223 -0.012 0.000 2.013 421 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 421 L C 2.556 179.426 176.870 -0.001 0.000 1.073 421 L CA 1.528 56.365 54.840 -0.006 0.000 0.753 421 L CB -0.392 41.664 42.059 -0.006 0.000 0.890 421 L HN 0.066 nan 8.230 nan 0.000 0.432 422 K N -0.389 120.010 120.400 -0.001 0.000 2.281 422 K HA -0.231 4.089 4.320 -0.000 0.000 0.203 422 K C 1.848 178.451 176.600 0.004 0.000 1.046 422 K CA 1.073 57.363 56.287 0.005 0.000 0.938 422 K CB -0.083 32.420 32.500 0.006 0.000 0.737 422 K HN 0.161 nan 8.250 nan 0.000 0.458 423 E N 0.350 120.550 120.200 -0.000 0.000 2.427 423 E HA -0.005 4.345 4.350 -0.000 0.000 0.196 423 E C 0.693 177.293 176.600 -0.000 0.000 1.028 423 E CA 0.283 56.683 56.400 -0.001 0.000 0.864 423 E CB 0.219 29.917 29.700 -0.003 0.000 0.813 423 E HN 0.341 nan 8.360 nan 0.000 0.514 424 G N -0.783 108.018 108.800 0.000 0.000 2.828 424 G HA2 0.231 4.191 3.960 -0.000 0.000 0.244 424 G HA3 0.231 4.191 3.960 -0.000 0.000 0.244 424 G C -0.544 174.357 174.900 0.001 0.000 1.365 424 G CA -0.733 44.367 45.100 0.000 0.000 1.041 424 G HN -0.004 nan 8.290 nan 0.000 0.560 425 N N 0.275 118.975 118.700 0.000 0.000 2.426 425 N HA 0.391 5.131 4.740 -0.000 0.000 0.257 425 N C -1.120 174.390 175.510 -0.001 0.000 1.002 425 N CA -0.294 52.756 53.050 0.000 0.000 0.942 425 N CB 1.880 40.366 38.487 -0.001 0.000 1.112 425 N HN 0.020 nan 8.380 nan 0.000 0.499 426 L N 1.592 122.816 121.223 0.001 0.000 2.334 426 L HA 0.265 4.605 4.340 -0.000 0.000 0.276 426 L C 0.490 177.356 176.870 -0.008 0.000 1.014 426 L CA -0.818 54.021 54.840 -0.003 0.000 0.815 426 L CB 1.178 43.241 42.059 0.006 0.000 1.268 426 L HN 0.482 nan 8.230 nan 0.000 0.428 427 D N 0.211 120.595 120.400 -0.026 0.000 2.423 427 D HA 0.019 4.659 4.640 -0.000 0.000 0.238 427 D C 1.141 177.419 176.300 -0.036 0.000 1.142 427 D CA 0.649 54.625 54.000 -0.040 0.000 0.884 427 D CB 1.090 41.846 40.800 -0.073 0.000 1.199 427 D HN 0.583 nan 8.370 nan 0.000 0.438 428 S N 3.690 119.380 115.700 -0.017 0.000 2.381 428 S HA -0.335 4.135 4.470 -0.000 0.000 0.230 428 S C 1.801 176.407 174.600 0.010 0.000 1.052 428 S CA 1.229 59.443 58.200 0.024 0.000 1.068 428 S CB -0.412 62.819 63.200 0.053 0.000 0.918 428 S HN 0.646 nan 8.310 nan 0.000 0.448 429 R N 0.393 120.811 120.500 -0.137 0.000 2.073 429 R HA 0.180 4.519 4.340 -0.000 0.000 0.229 429 R C 2.474 178.557 176.300 -0.362 0.000 1.120 429 R CA 1.079 56.941 56.100 -0.396 0.000 0.967 429 R CB -0.638 29.065 30.300 -0.996 0.000 0.862 429 R HN 0.381 nan 8.270 nan 0.000 0.436 430 L N 1.135 122.209 121.223 -0.249 0.000 2.083 430 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 430 L C 2.232 179.101 176.870 -0.001 0.000 1.083 430 L CA 1.856 56.625 54.840 -0.119 0.000 0.752 430 L CB -0.665 41.345 42.059 -0.081 0.000 0.899 430 L HN 0.133 nan 8.230 nan 0.000 0.433 431 A N -0.185 122.643 122.820 0.013 0.000 1.908 431 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 431 A C 2.293 179.948 177.584 0.119 0.000 1.181 431 A CA 2.246 54.319 52.037 0.060 0.000 0.627 431 A CB -0.881 18.155 19.000 0.059 0.000 0.818 431 A HN 0.529 nan 8.150 nan 0.000 0.445 432 I N -0.521 120.159 120.570 0.183 0.000 2.202 432 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 432 I C 3.013 179.307 176.117 0.294 0.000 1.091 432 I CA 1.000 62.466 61.300 0.277 0.000 1.368 432 I CB -0.422 37.855 38.000 0.461 0.000 1.058 432 I HN 0.377 nan 8.210 nan 0.000 0.410 433 A N 0.614 123.660 122.820 0.377 0.000 1.865 433 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 433 A C 2.440 180.136 177.584 0.186 0.000 1.191 433 A CA 1.916 54.158 52.037 0.341 0.000 0.623 433 A CB -1.075 18.141 19.000 0.359 0.000 0.826 433 A HN 0.216 nan 8.150 nan 0.000 0.444 434 V N 0.040 120.031 119.914 0.129 0.000 2.231 434 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 434 V C 2.870 178.987 176.094 0.038 0.000 1.054 434 V CA 2.257 64.596 62.300 0.065 0.000 1.015 434 V CB -1.655 30.193 31.823 0.041 0.000 0.638 434 V HN 0.637 nan 8.190 nan 0.000 0.444 435 G N 0.073 108.912 108.800 0.065 0.000 2.491 435 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 435 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 435 G C 1.495 176.400 174.900 0.009 0.000 1.180 435 G CA 1.166 46.302 45.100 0.060 0.000 0.774 435 G HN 0.366 nan 8.290 nan 0.000 0.562 436 I N 2.116 122.720 120.570 0.057 0.000 2.127 436 I HA -0.185 3.985 4.170 -0.000 0.000 0.241 436 I C 3.001 179.097 176.117 -0.034 0.000 1.075 436 I CA 1.825 63.141 61.300 0.026 0.000 1.334 436 I CB -0.953 37.086 38.000 0.065 0.000 1.040 436 I HN 0.396 nan 8.210 nan 0.000 0.405 437 R N 1.283 121.797 120.500 0.024 0.000 2.120 437 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 437 R C 1.926 178.100 176.300 -0.211 0.000 1.123 437 R CA 1.616 57.724 56.100 0.012 0.000 0.975 437 R CB -0.731 29.653 30.300 0.139 0.000 0.866 437 R HN 0.476 nan 8.270 nan 0.000 0.446 438 E N 0.958 121.032 120.200 -0.211 0.000 2.047 438 E HA -0.130 4.219 4.350 -0.000 0.000 0.191 438 E C 2.051 178.405 176.600 -0.410 0.000 0.987 438 E CA 1.445 57.679 56.400 -0.277 0.000 0.799 438 E CB -0.372 29.206 29.700 -0.203 0.000 0.752 438 E HN 0.502 nan 8.360 nan 0.000 0.449 439 G N 0.972 109.367 108.800 -0.675 0.000 2.446 439 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 439 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 439 G C 1.422 176.069 174.900 -0.421 0.000 1.168 439 G CA 0.939 45.356 45.100 -1.140 0.000 0.771 439 G HN 0.347 nan 8.290 nan 0.000 0.551 440 E N 0.217 120.281 120.200 -0.226 0.000 2.085 440 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 440 E C 2.557 179.087 176.600 -0.116 0.000 0.994 440 E CA 0.956 57.364 56.400 0.013 0.000 0.801 440 E CB -0.081 29.749 29.700 0.216 0.000 0.743 440 E HN 0.382 nan 8.360 nan 0.000 0.453 441 K N 0.054 120.268 120.400 -0.311 0.000 2.147 441 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 441 K C 2.127 178.622 176.600 -0.174 0.000 1.049 441 K CA 1.097 57.181 56.287 -0.339 0.000 0.936 441 K CB -0.043 32.182 32.500 -0.458 0.000 0.722 441 K HN 0.147 nan 8.250 nan 0.000 0.446 442 M N 0.160 119.669 119.600 -0.152 0.000 2.132 442 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 442 M C 2.153 178.547 176.300 0.157 0.000 1.065 442 M CA 1.279 56.567 55.300 -0.020 0.000 1.122 442 M CB -0.134 32.351 32.600 -0.192 0.000 1.365 442 M HN -0.056 nan 8.290 nan 0.000 0.411 443 V N 0.219 120.211 119.914 0.130 0.000 2.323 443 V HA -0.229 3.891 4.120 -0.000 0.000 0.244 443 V C 2.306 178.414 176.094 0.024 0.000 1.041 443 V CA 1.244 63.648 62.300 0.173 0.000 1.025 443 V CB -0.585 31.349 31.823 0.185 0.000 0.656 443 V HN 0.315 nan 8.190 nan 0.000 0.451 444 L N -0.202 120.952 121.223 -0.115 0.000 2.013 444 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 444 L C 2.517 179.343 176.870 -0.073 0.000 1.073 444 L CA 1.920 56.641 54.840 -0.198 0.000 0.753 444 L CB -1.137 40.768 42.059 -0.257 0.000 0.890 444 L HN 0.390 nan 8.230 nan 0.000 0.432 445 Q N -1.487 118.291 119.800 -0.036 0.000 2.119 445 Q HA -0.236 4.104 4.340 -0.000 0.000 0.201 445 Q C 2.208 178.231 176.000 0.039 0.000 0.972 445 Q CA 1.390 57.193 55.803 0.001 0.000 0.847 445 Q CB -0.058 28.679 28.738 -0.001 0.000 0.903 445 Q HN 0.584 nan 8.270 nan 0.000 0.433 446 Q N 0.690 120.532 119.800 0.070 0.000 2.079 446 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 446 Q C 1.968 178.003 176.000 0.059 0.000 0.974 446 Q CA 1.071 56.908 55.803 0.056 0.000 0.840 446 Q CB -0.029 28.736 28.738 0.045 0.000 0.898 446 Q HN 0.400 nan 8.270 nan 0.000 0.430 447 I N 1.484 122.104 120.570 0.083 0.000 2.127 447 I HA -0.296 3.874 4.170 -0.000 0.000 0.241 447 I C 2.446 178.699 176.117 0.227 0.000 1.075 447 I CA 1.706 63.101 61.300 0.159 0.000 1.334 447 I CB -0.571 37.493 38.000 0.106 0.000 1.040 447 I HN 0.424 nan 8.210 nan 0.000 0.405 448 D N 0.993 121.464 120.400 0.117 0.000 2.178 448 D HA -0.155 4.485 4.640 -0.000 0.000 0.201 448 D C 2.107 178.476 176.300 0.116 0.000 0.980 448 D CA 1.588 55.656 54.000 0.113 0.000 0.842 448 D CB 0.038 40.860 40.800 0.037 0.000 0.948 448 D HN 0.385 nan 8.370 nan 0.000 0.472 449 G N 1.156 109.999 108.800 0.072 0.000 2.402 449 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 449 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 449 G C 1.955 176.865 174.900 0.016 0.000 1.162 449 G CA 0.390 45.512 45.100 0.037 0.000 0.777 449 G HN 0.319 nan 8.290 nan 0.000 0.539 450 I N -0.278 120.294 120.570 0.003 0.000 2.163 450 I HA -0.159 4.011 4.170 -0.000 0.000 0.243 450 I C 2.335 178.316 176.117 -0.226 0.000 1.085 450 I CA 1.116 62.337 61.300 -0.132 0.000 1.347 450 I CB -0.265 37.611 38.000 -0.206 0.000 1.044 450 I HN 0.084 nan 8.210 nan 0.000 0.408 451 F N 0.677 120.613 119.950 -0.022 0.000 2.558 451 F HA -0.095 4.432 4.527 -0.000 0.000 0.298 451 F C 2.470 178.261 175.800 -0.015 0.000 1.119 451 F CA 0.906 58.894 58.000 -0.020 0.000 1.451 451 F CB -0.322 38.665 39.000 -0.021 0.000 1.091 451 F HN 0.116 nan 8.300 nan 0.000 0.563 452 E N -0.041 120.225 120.200 0.110 0.000 2.072 452 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 452 E C 2.229 178.842 176.600 0.021 0.000 0.985 452 E CA 0.915 57.352 56.400 0.062 0.000 0.801 452 E CB -0.016 29.709 29.700 0.042 0.000 0.750 452 E HN 0.186 nan 8.360 nan 0.000 0.452 453 Q N 1.029 120.821 119.800 -0.013 0.000 2.050 453 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 453 Q C 2.034 178.009 176.000 -0.042 0.000 0.980 453 Q CA 1.503 57.285 55.803 -0.036 0.000 0.840 453 Q CB -0.127 28.572 28.738 -0.064 0.000 0.898 453 Q HN 0.258 nan 8.270 nan 0.000 0.424 454 K N 0.372 120.728 120.400 -0.073 0.000 2.113 454 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 454 K C 1.975 178.578 176.600 0.005 0.000 1.047 454 K CA 1.436 57.683 56.287 -0.067 0.000 0.928 454 K CB -0.023 32.398 32.500 -0.132 0.000 0.716 454 K HN 0.321 nan 8.250 nan 0.000 0.446 455 E N 0.568 120.788 120.200 0.034 0.000 2.110 455 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 455 E C 2.017 178.635 176.600 0.029 0.000 0.988 455 E CA 0.874 57.301 56.400 0.046 0.000 0.804 455 E CB -0.039 29.692 29.700 0.051 0.000 0.745 455 E HN 0.262 nan 8.360 nan 0.000 0.458 456 L N 0.777 122.009 121.223 0.014 0.000 2.093 456 L HA -0.139 4.200 4.340 -0.000 0.000 0.208 456 L C 1.654 178.525 176.870 0.003 0.000 1.085 456 L CA 1.071 55.915 54.840 0.007 0.000 0.755 456 L CB -0.239 41.819 42.059 -0.002 0.000 0.904 456 L HN 0.071 nan 8.230 nan 0.000 0.435 457 E N 0.074 120.270 120.200 -0.007 0.000 2.403 457 E HA -0.046 4.304 4.350 -0.000 0.000 0.187 457 E C 1.559 178.160 176.600 0.002 0.000 1.073 457 E CA -0.239 56.151 56.400 -0.016 0.000 0.888 457 E CB 0.206 29.881 29.700 -0.040 0.000 1.035 457 E HN 0.209 nan 8.360 nan 0.000 0.471 458 L N 0.978 122.223 121.223 0.037 0.000 2.351 458 L HA -0.182 4.158 4.340 -0.000 0.000 0.220 458 L C 0.608 177.558 176.870 0.133 0.000 1.127 458 L CA 1.821 56.720 54.840 0.097 0.000 0.786 458 L CB -0.023 42.091 42.059 0.092 0.000 0.914 458 L HN 0.044 nan 8.230 nan 0.000 0.443 459 D N -3.014 117.424 120.400 0.064 0.000 2.433 459 D HA 0.028 4.668 4.640 -0.000 0.000 0.211 459 D C 1.696 177.989 176.300 -0.012 0.000 1.114 459 D CA 0.093 54.129 54.000 0.061 0.000 0.837 459 D CB 0.310 41.140 40.800 0.049 0.000 0.984 459 D HN 0.321 nan 8.370 nan 0.000 0.505 460 Q N -0.032 119.739 119.800 -0.048 0.000 2.398 460 Q HA 0.170 4.510 4.340 -0.000 0.000 0.204 460 Q C 0.253 176.162 176.000 -0.152 0.000 0.932 460 Q CA 0.298 56.053 55.803 -0.080 0.000 0.916 460 Q CB 0.787 29.486 28.738 -0.065 0.000 1.024 460 Q HN 0.304 nan 8.270 nan 0.000 0.504 461 L N 2.315 123.385 121.223 -0.254 0.000 2.395 461 L HA 0.101 4.441 4.340 -0.000 0.000 0.269 461 L C 0.202 176.726 176.870 -0.576 0.000 1.133 461 L CA -0.162 54.413 54.840 -0.442 0.000 0.812 461 L CB 0.748 42.425 42.059 -0.637 0.000 1.125 461 L HN 0.177 nan 8.230 nan 0.000 0.452 462 E N 3.005 122.954 120.200 -0.419 0.000 2.070 462 E HA 0.261 4.611 4.350 -0.000 0.000 0.261 462 E C -1.058 175.391 176.600 -0.252 0.000 0.926 462 E CA -0.601 55.627 56.400 -0.286 0.000 0.760 462 E CB 0.374 29.993 29.700 -0.134 0.000 1.133 462 E HN 0.348 nan 8.360 nan 0.000 0.420 463 Y N 0.784 121.087 120.300 0.005 0.000 2.158 463 Y HA -0.141 4.409 4.550 -0.000 0.000 0.365 463 Y C 1.693 177.621 175.900 0.046 0.000 1.301 463 Y CA -0.307 57.812 58.100 0.031 0.000 1.735 463 Y CB -0.023 38.455 38.460 0.030 0.000 1.509 463 Y HN 0.555 nan 8.280 nan 0.000 0.657 464 Y N 0.661 121.070 120.300 0.182 0.000 2.030 464 Y HA -0.350 4.200 4.550 -0.000 0.000 0.274 464 Y C 2.384 178.340 175.900 0.093 0.000 1.153 464 Y CA 2.155 60.305 58.100 0.082 0.000 1.115 464 Y CB -0.480 37.969 38.460 -0.018 0.000 0.969 464 Y HN 0.519 nan 8.280 nan 0.000 0.488 465 Q N 0.390 120.173 119.800 -0.030 0.000 2.096 465 Q HA -0.304 4.036 4.340 -0.000 0.000 0.208 465 Q C 2.287 178.206 176.000 -0.134 0.000 0.993 465 Q CA 2.267 58.005 55.803 -0.109 0.000 0.862 465 Q CB -0.700 28.065 28.738 0.046 0.000 0.915 465 Q HN 0.744 nan 8.270 nan 0.000 0.416 466 E N 0.501 120.678 120.200 -0.037 0.000 2.051 466 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 466 E C 2.028 178.579 176.600 -0.082 0.000 0.991 466 E CA 0.659 57.036 56.400 -0.038 0.000 0.799 466 E CB 0.096 29.797 29.700 0.002 0.000 0.748 466 E HN 0.240 nan 8.360 nan 0.000 0.449 467 R N 0.084 120.525 120.500 -0.099 0.000 2.152 467 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 467 R C 2.553 178.774 176.300 -0.132 0.000 1.117 467 R CA 1.147 57.196 56.100 -0.085 0.000 0.981 467 R CB -0.280 30.006 30.300 -0.024 0.000 0.870 467 R HN 0.145 nan 8.270 nan 0.000 0.451 468 R N 0.921 121.254 120.500 -0.279 0.000 2.115 468 R HA -0.017 4.323 4.340 -0.000 0.000 0.226 468 R C 1.755 177.982 176.300 -0.121 0.000 1.100 468 R CA 0.902 56.848 56.100 -0.257 0.000 0.980 468 R CB 0.081 30.113 30.300 -0.446 0.000 0.875 468 R HN 0.194 nan 8.270 nan 0.000 0.445 469 L N 0.544 121.705 121.223 -0.103 0.000 2.567 469 L HA 0.078 4.417 4.340 -0.000 0.000 0.225 469 L C 1.111 177.957 176.870 -0.040 0.000 1.119 469 L CA 0.089 54.894 54.840 -0.058 0.000 0.871 469 L CB 0.022 42.051 42.059 -0.048 0.000 1.036 469 L HN -0.069 nan 8.230 nan 0.000 0.459 470 K N 1.439 121.814 120.400 -0.042 0.000 2.643 470 K HA -0.048 4.272 4.320 -0.000 0.000 0.193 470 K C 0.123 176.713 176.600 -0.017 0.000 1.027 470 K CA 0.480 56.751 56.287 -0.027 0.000 1.033 470 K CB -0.528 31.957 32.500 -0.026 0.000 0.827 470 K HN 0.496 nan 8.250 nan 0.000 0.500 471 D N -0.828 119.562 120.400 -0.016 0.000 3.060 471 D HA 0.038 4.678 4.640 -0.000 0.000 0.326 471 D C 0.626 176.922 176.300 -0.007 0.000 1.253 471 D CA -0.236 53.760 54.000 -0.007 0.000 0.737 471 D CB -0.353 40.447 40.800 0.000 0.000 1.260 471 D HN -0.032 nan 8.370 nan 0.000 0.542 472 L N 0.325 121.543 121.223 -0.009 0.000 2.253 472 L HA 0.234 4.574 4.340 -0.000 0.000 0.205 472 L C 1.580 178.448 176.870 -0.004 0.000 1.078 472 L CA 0.930 55.766 54.840 -0.008 0.000 0.805 472 L CB -0.155 41.897 42.059 -0.011 0.000 0.963 472 L HN 0.503 nan 8.230 nan 0.000 0.459 473 G N 0.760 109.558 108.800 -0.004 0.000 2.314 473 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.292 473 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.292 473 G C 0.737 175.636 174.900 -0.002 0.000 1.059 473 G CA 0.356 45.455 45.100 -0.002 0.000 0.982 473 G HN 0.288 nan 8.290 nan 0.000 0.505 474 L N -1.447 119.774 121.223 -0.004 0.000 2.056 474 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 474 L C 2.028 178.897 176.870 -0.002 0.000 1.078 474 L CA 1.171 56.009 54.840 -0.004 0.000 0.749 474 L CB -0.262 41.794 42.059 -0.005 0.000 0.901 474 L HN 0.461 nan 8.230 nan 0.000 0.433 475 C N 1.433 120.732 119.300 -0.002 0.000 2.700 475 C HA 0.475 4.935 4.460 -0.000 0.000 0.529 475 C C 1.304 176.294 174.990 0.000 0.000 1.093 475 C CA -0.774 58.244 59.018 -0.001 0.000 1.320 475 C CB -1.573 26.166 27.740 -0.002 0.000 1.478 475 C HN 0.483 nan 8.230 nan 0.000 0.598 476 G N 1.205 110.006 108.800 0.001 0.000 3.310 476 G HA2 0.456 4.416 3.960 -0.000 0.000 0.176 476 G HA3 0.456 4.416 3.960 -0.000 0.000 0.176 476 G C -0.119 174.784 174.900 0.004 0.000 1.307 476 G CA -0.189 44.913 45.100 0.003 0.000 0.935 476 G HN 0.605 nan 8.290 nan 0.000 0.628 477 E N -0.218 119.986 120.200 0.007 0.000 2.330 477 E HA 0.236 4.585 4.350 -0.000 0.000 0.256 477 E C -0.735 175.870 176.600 0.008 0.000 1.146 477 E CA -0.776 55.628 56.400 0.008 0.000 0.945 477 E CB 0.900 30.607 29.700 0.011 0.000 1.182 477 E HN 0.219 nan 8.360 nan 0.000 0.480 478 N N 0.183 118.889 118.700 0.009 0.000 3.245 478 N HA 0.096 4.836 4.740 -0.000 0.000 0.296 478 N C 0.879 176.397 175.510 0.014 0.000 1.254 478 N CA 0.311 53.366 53.050 0.009 0.000 1.190 478 N CB -0.075 38.416 38.487 0.008 0.000 1.460 478 N HN 0.682 nan 8.380 nan 0.000 0.538 479 G N 0.956 109.764 108.800 0.015 0.000 2.517 479 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.222 479 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.222 479 G C 1.094 176.007 174.900 0.022 0.000 1.109 479 G CA 0.547 45.660 45.100 0.022 0.000 0.746 479 G HN 0.560 nan 8.290 nan 0.000 0.576 480 D N 0.320 120.727 120.400 0.011 0.000 2.158 480 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 480 D C 2.501 178.810 176.300 0.015 0.000 0.995 480 D CA 0.725 54.727 54.000 0.005 0.000 0.846 480 D CB -0.003 40.796 40.800 -0.001 0.000 0.941 480 D HN 0.214 nan 8.370 nan 0.000 0.456 481 I N 1.029 121.612 120.570 0.021 0.000 2.151 481 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 481 I C 2.671 178.818 176.117 0.051 0.000 1.080 481 I CA 0.916 62.233 61.300 0.029 0.000 1.339 481 I CB -1.074 36.941 38.000 0.025 0.000 1.039 481 I HN 0.127 nan 8.210 nan 0.000 0.409 482 L N 0.230 121.493 121.223 0.066 0.000 2.056 482 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 482 L C 2.568 179.558 176.870 0.199 0.000 1.078 482 L CA 1.257 56.168 54.840 0.119 0.000 0.749 482 L CB -0.591 41.532 42.059 0.107 0.000 0.901 482 L HN 0.260 nan 8.230 nan 0.000 0.433 483 E N 0.115 120.376 120.200 0.101 0.000 2.077 483 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 483 E C 1.256 177.817 176.600 -0.066 0.000 0.989 483 E CA 0.934 57.319 56.400 -0.024 0.000 0.800 483 E CB -0.260 29.395 29.700 -0.075 0.000 0.746 483 E HN 0.484 nan 8.360 nan 0.000 0.452 484 N N 0.717 119.418 118.700 0.001 0.000 2.567 484 N HA -0.035 4.705 4.740 -0.000 0.000 0.195 484 N C 0.791 176.339 175.510 0.065 0.000 1.242 484 N CA 0.463 53.516 53.050 0.005 0.000 0.884 484 N CB 0.140 38.631 38.487 0.007 0.000 1.007 484 N HN 0.199 nan 8.380 nan 0.000 0.450 485 L N -0.104 121.220 121.223 0.169 0.000 2.818 485 L HA 0.212 4.552 4.340 -0.000 0.000 0.243 485 L C -0.486 176.622 176.870 0.397 0.000 1.185 485 L CA -0.257 54.719 54.840 0.226 0.000 0.988 485 L CB -0.298 41.869 42.059 0.180 0.000 1.292 485 L HN 0.160 nan 8.230 nan 0.000 0.519 486 Y N 0.000 120.300 120.300 -0.000 0.000 2.660 486 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 486 Y CA 0.000 58.100 58.100 -0.000 0.000 1.940 486 Y CB 0.000 38.460 38.460 -0.000 0.000 1.050 486 Y HN 0.000 nan 8.280 nan 0.000 0.758