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 2h23_1_C 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 RSRAFSRLRN ENLVVVPMAD LINHSAGVTT DATA SEQUENCE EDHAYEVKGA AGLFSWDYLF 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 DILENLYF 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 0.000 176.874 176.870 0.006 0.000 1.165 50 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 50 L CB 0.000 42.030 42.059 -0.048 0.000 0.961 51 S N 1.399 117.111 115.700 0.019 0.000 2.596 51 S HA 0.352 4.822 4.470 -0.000 0.000 0.260 51 S C -1.963 172.668 174.600 0.052 0.000 1.336 51 S CA -0.780 57.440 58.200 0.032 0.000 0.993 51 S CB 0.844 64.064 63.200 0.034 0.000 0.923 51 S HN 0.470 nan 8.310 nan 0.000 0.567 52 P HA -0.070 nan 4.420 nan 0.000 0.215 52 P C 1.728 179.087 177.300 0.098 0.000 1.157 52 P CA 2.006 65.146 63.100 0.067 0.000 0.868 52 P CB -0.334 31.399 31.700 0.056 0.000 0.788 53 A N -0.694 122.187 122.820 0.101 0.000 1.917 53 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 53 A C 2.355 180.058 177.584 0.200 0.000 1.182 53 A CA 2.057 54.177 52.037 0.138 0.000 0.633 53 A CB -1.757 17.308 19.000 0.108 0.000 0.819 53 A HN 0.049 nan 8.150 nan 0.000 0.448 54 V N -0.439 119.578 119.914 0.172 0.000 2.307 54 V HA -0.293 3.827 4.120 -0.000 0.000 0.245 54 V C 2.685 178.976 176.094 0.327 0.000 1.045 54 V CA 2.260 64.706 62.300 0.242 0.000 1.024 54 V CB -0.773 31.125 31.823 0.124 0.000 0.651 54 V HN 0.749 nan 8.190 nan 0.000 0.449 55 Q N -0.456 119.467 119.800 0.204 0.000 2.181 55 Q HA -0.207 4.133 4.340 -0.000 0.000 0.205 55 Q C 2.210 178.353 176.000 0.237 0.000 0.980 55 Q CA 2.138 58.062 55.803 0.202 0.000 0.862 55 Q CB -0.122 28.684 28.738 0.114 0.000 0.905 55 Q HN 0.682 nan 8.270 nan 0.000 0.429 56 T N 0.207 114.879 114.554 0.197 0.000 2.777 56 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 56 T C 1.196 175.990 174.700 0.158 0.000 1.040 56 T CA 1.112 63.273 62.100 0.101 0.000 1.141 56 T CB -0.390 68.511 68.868 0.056 0.000 0.868 56 T HN 0.379 nan 8.240 nan 0.000 0.444 57 F N 0.450 120.533 119.950 0.222 0.000 2.161 57 F HA -0.060 4.467 4.527 -0.000 0.000 0.300 57 F C 2.105 178.186 175.800 0.469 0.000 1.089 57 F CA 0.965 59.203 58.000 0.397 0.000 1.282 57 F CB -0.350 38.907 39.000 0.427 0.000 1.010 57 F HN 0.257 nan 8.300 nan 0.000 0.485 58 W N 0.929 122.280 121.300 0.085 0.000 2.436 58 W HA -0.161 4.499 4.660 -0.000 0.000 0.284 58 W C 2.253 178.732 176.519 -0.067 0.000 1.225 58 W CA 1.239 58.557 57.345 -0.045 0.000 1.271 58 W CB -0.161 29.341 29.460 0.070 0.000 1.114 58 W HN 0.035 nan 8.180 nan 0.000 0.559 59 K N -0.181 120.293 120.400 0.123 0.000 2.025 59 K HA -0.234 4.086 4.320 -0.000 0.000 0.207 59 K C 1.715 178.296 176.600 -0.032 0.000 1.049 59 K CA 2.064 58.371 56.287 0.033 0.000 0.933 59 K CB -1.034 31.491 32.500 0.042 0.000 0.714 59 K HN 0.089 nan 8.250 nan 0.000 0.438 60 W N 1.052 122.226 121.300 -0.211 0.000 2.335 60 W HA -0.176 4.484 4.660 -0.000 0.000 0.311 60 W C 1.177 177.555 176.519 -0.234 0.000 1.213 60 W CA 1.551 58.792 57.345 -0.175 0.000 1.274 60 W CB -0.370 29.053 29.460 -0.061 0.000 1.148 60 W HN 0.025 nan 8.180 nan 0.000 0.498 61 L N 0.295 121.140 121.223 -0.630 0.000 2.191 61 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 61 L C 2.663 179.150 176.870 -0.637 0.000 1.103 61 L CA 1.581 55.884 54.840 -0.895 0.000 0.769 61 L CB -0.882 40.585 42.059 -0.986 0.000 0.908 61 L HN 0.163 nan 8.230 nan 0.000 0.438 62 Q N 0.111 119.629 119.800 -0.470 0.000 2.083 62 Q HA -0.190 4.150 4.340 -0.000 0.000 0.198 62 Q C 2.043 177.898 176.000 -0.242 0.000 0.969 62 Q CA 1.389 57.005 55.803 -0.312 0.000 0.838 62 Q CB 0.193 28.814 28.738 -0.194 0.000 0.900 62 Q HN 0.532 nan 8.270 nan 0.000 0.436 63 E N 0.200 120.266 120.200 -0.222 0.000 2.072 63 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 63 E C 1.663 178.131 176.600 -0.219 0.000 0.985 63 E CA 0.687 56.992 56.400 -0.159 0.000 0.801 63 E CB 0.029 29.683 29.700 -0.076 0.000 0.750 63 E HN 0.268 nan 8.360 nan 0.000 0.452 64 E N 0.008 119.979 120.200 -0.381 0.000 2.510 64 E HA -0.107 4.243 4.350 -0.000 0.000 0.202 64 E C 1.207 177.630 176.600 -0.295 0.000 1.072 64 E CA 0.849 57.006 56.400 -0.405 0.000 0.883 64 E CB -0.072 29.186 29.700 -0.735 0.000 0.818 64 E HN 0.479 nan 8.360 nan 0.000 0.548 65 G N 0.282 108.929 108.800 -0.256 0.000 2.148 65 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.254 65 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.254 65 G C 1.128 175.910 174.900 -0.196 0.000 0.981 65 G CA 0.520 45.508 45.100 -0.186 0.000 0.670 65 G HN 0.288 nan 8.290 nan 0.000 0.528 66 V N 0.360 120.104 119.914 -0.282 0.000 2.379 66 V HA 0.192 4.312 4.120 -0.000 0.000 0.243 66 V C 1.600 177.543 176.094 -0.252 0.000 1.035 66 V CA 1.225 63.367 62.300 -0.264 0.000 1.035 66 V CB -0.141 31.463 31.823 -0.365 0.000 0.673 66 V HN 0.397 nan 8.190 nan 0.000 0.457 67 I N 1.566 121.937 120.570 -0.332 0.000 2.353 67 I HA 0.464 4.634 4.170 -0.000 0.000 0.293 67 I C 0.328 176.343 176.117 -0.171 0.000 0.992 67 I CA 0.461 61.584 61.300 -0.296 0.000 1.268 67 I CB 0.776 38.472 38.000 -0.507 0.000 1.387 67 I HN 0.399 nan 8.210 nan 0.000 0.478 68 T N 1.395 115.895 114.554 -0.090 0.000 2.654 68 T HA 0.610 4.960 4.350 -0.000 0.000 0.289 68 T C 0.865 175.563 174.700 -0.004 0.000 1.062 68 T CA -0.126 61.946 62.100 -0.047 0.000 1.041 68 T CB 1.466 70.308 68.868 -0.043 0.000 1.417 68 T HN 0.417 nan 8.240 nan 0.000 0.510 69 A N 0.299 123.121 122.820 0.004 0.000 2.019 69 A HA 0.027 4.347 4.320 -0.000 0.000 0.219 69 A C 2.078 179.677 177.584 0.026 0.000 1.164 69 A CA 1.031 53.081 52.037 0.021 0.000 0.644 69 A CB -0.791 18.217 19.000 0.015 0.000 0.805 69 A HN 0.642 nan 8.150 nan 0.000 0.449 70 K N 0.291 120.700 120.400 0.015 0.000 2.365 70 K HA -0.019 4.301 4.320 -0.000 0.000 0.199 70 K C 0.161 176.781 176.600 0.032 0.000 1.045 70 K CA 0.463 56.761 56.287 0.019 0.000 0.962 70 K CB -0.698 31.807 32.500 0.008 0.000 0.759 70 K HN 0.375 nan 8.250 nan 0.000 0.469 71 T N 4.215 118.792 114.554 0.039 0.000 2.793 71 T HA 0.032 4.382 4.350 -0.000 0.000 0.289 71 T C -1.532 173.225 174.700 0.094 0.000 0.956 71 T CA -0.845 61.296 62.100 0.068 0.000 1.177 71 T CB 1.011 69.924 68.868 0.075 0.000 0.897 71 T HN 0.117 nan 8.240 nan 0.000 0.533 72 P HA 0.177 nan 4.420 nan 0.000 0.249 72 P C 0.192 177.548 177.300 0.094 0.000 1.229 72 P CA 0.226 63.373 63.100 0.078 0.000 0.788 72 P CB 0.471 32.207 31.700 0.061 0.000 1.072 73 V N 0.378 120.377 119.914 0.142 0.000 3.074 73 V HA 0.677 4.797 4.120 -0.000 0.000 0.314 73 V C -1.191 175.045 176.094 0.237 0.000 1.117 73 V CA -0.818 61.573 62.300 0.153 0.000 1.014 73 V CB 2.658 34.576 31.823 0.158 0.000 1.057 73 V HN 0.089 nan 8.190 nan 0.000 0.438 74 K N 3.528 123.984 120.400 0.093 0.000 2.495 74 K HA 0.932 5.252 4.320 -0.000 0.000 0.268 74 K C -0.771 175.597 176.600 -0.387 0.000 1.008 74 K CA -0.092 56.107 56.287 -0.147 0.000 0.882 74 K CB 1.563 33.952 32.500 -0.185 0.000 1.443 74 K HN 0.976 nan 8.250 nan 0.000 0.447 75 A N 0.284 122.570 122.820 -0.890 0.000 2.304 75 A HA 0.665 4.985 4.320 -0.000 0.000 0.271 75 A C -0.432 176.973 177.584 -0.299 0.000 1.091 75 A CA -0.078 51.649 52.037 -0.518 0.000 0.812 75 A CB 0.456 19.118 19.000 -0.564 0.000 1.056 75 A HN 0.678 nan 8.150 nan 0.000 0.489 76 S N -0.285 115.316 115.700 -0.166 0.000 2.543 76 S HA 0.427 4.897 4.470 -0.000 0.000 0.274 76 S C -1.319 173.239 174.600 -0.070 0.000 1.149 76 S CA -0.509 57.622 58.200 -0.114 0.000 0.866 76 S CB 1.259 64.398 63.200 -0.102 0.000 1.111 76 S HN 0.939 nan 8.310 nan 0.000 0.457 77 V N 4.661 124.544 119.914 -0.052 0.000 2.405 77 V HA 0.453 4.573 4.120 -0.000 0.000 0.264 77 V C 0.406 176.485 176.094 -0.025 0.000 1.048 77 V CA 0.015 62.297 62.300 -0.030 0.000 0.966 77 V CB 0.227 32.038 31.823 -0.020 0.000 1.015 77 V HN 0.710 nan 8.190 nan 0.000 0.477 78 V N 2.269 122.171 119.914 -0.020 0.000 3.126 78 V HA 0.556 4.676 4.120 -0.000 0.000 0.314 78 V C 1.316 177.412 176.094 0.003 0.000 1.138 78 V CA 0.133 62.425 62.300 -0.014 0.000 1.034 78 V CB 1.512 33.317 31.823 -0.030 0.000 1.075 78 V HN 0.654 nan 8.190 nan 0.000 0.442 79 T N 0.099 114.660 114.554 0.011 0.000 2.721 79 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 79 T C 1.260 175.972 174.700 0.020 0.000 1.038 79 T CA 2.692 64.802 62.100 0.016 0.000 1.145 79 T CB -0.421 68.458 68.868 0.018 0.000 0.858 79 T HN 0.889 nan 8.240 nan 0.000 0.459 80 E N 0.467 120.679 120.200 0.020 0.000 2.511 80 E HA 0.391 4.741 4.350 -0.000 0.000 0.196 80 E C 1.365 177.987 176.600 0.037 0.000 1.066 80 E CA 0.521 56.932 56.400 0.019 0.000 0.871 80 E CB -0.149 29.556 29.700 0.008 0.000 0.863 80 E HN 0.748 nan 8.360 nan 0.000 0.520 81 G N -0.380 108.437 108.800 0.028 0.000 2.436 81 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.205 81 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.205 81 G C -0.924 173.984 174.900 0.013 0.000 1.188 81 G CA -0.598 44.520 45.100 0.030 0.000 1.267 81 G HN 0.067 nan 8.290 nan 0.000 0.536 82 L N 1.606 122.838 121.223 0.015 0.000 2.360 82 L HA 0.740 5.080 4.340 -0.000 0.000 0.271 82 L C 0.939 177.812 176.870 0.005 0.000 1.057 82 L CA 0.071 54.911 54.840 0.001 0.000 0.803 82 L CB 1.532 43.592 42.059 0.002 0.000 1.207 82 L HN 1.250 nan 8.230 nan 0.000 0.445 83 G N 1.596 110.385 108.800 -0.019 0.000 2.600 83 G HA2 0.552 4.512 3.960 -0.000 0.000 0.293 83 G HA3 0.552 4.512 3.960 -0.000 0.000 0.293 83 G C -1.795 173.078 174.900 -0.044 0.000 1.408 83 G CA -0.767 44.312 45.100 -0.034 0.000 0.782 83 G HN 0.349 nan 8.290 nan 0.000 0.482 84 L N 0.632 121.823 121.223 -0.053 0.000 2.282 84 L HA 0.619 4.959 4.340 -0.000 0.000 0.288 84 L C -0.308 176.516 176.870 -0.077 0.000 1.033 84 L CA -0.999 53.827 54.840 -0.023 0.000 0.807 84 L CB 1.678 43.777 42.059 0.065 0.000 1.209 84 L HN 0.179 nan 8.230 nan 0.000 0.423 85 V N 2.380 122.256 119.914 -0.063 0.000 2.513 85 V HA 0.553 4.673 4.120 -0.000 0.000 0.299 85 V C 0.501 176.583 176.094 -0.020 0.000 1.035 85 V CA -0.746 61.517 62.300 -0.061 0.000 0.889 85 V CB 1.790 33.572 31.823 -0.069 0.000 0.988 85 V HN 0.878 nan 8.190 nan 0.000 0.440 86 A N 4.306 127.120 122.820 -0.010 0.000 2.477 86 A HA 0.486 4.806 4.320 -0.000 0.000 0.246 86 A C 0.700 178.292 177.584 0.014 0.000 1.078 86 A CA -0.045 52.000 52.037 0.014 0.000 0.770 86 A CB 0.105 19.114 19.000 0.015 0.000 1.011 86 A HN 0.919 nan 8.150 nan 0.000 0.494 87 L N 0.828 122.069 121.223 0.030 0.000 2.585 87 L HA 0.186 4.526 4.340 -0.000 0.000 0.226 87 L C 0.862 177.748 176.870 0.026 0.000 1.113 87 L CA 0.600 55.457 54.840 0.028 0.000 0.876 87 L CB -0.356 41.731 42.059 0.047 0.000 1.072 87 L HN 0.936 nan 8.230 nan 0.000 0.468 88 K N -2.673 117.743 120.400 0.026 0.000 2.672 88 K HA 0.291 4.611 4.320 -0.000 0.000 0.295 88 K C -1.563 175.051 176.600 0.023 0.000 1.042 88 K CA -0.999 55.301 56.287 0.023 0.000 0.869 88 K CB 0.814 33.329 32.500 0.025 0.000 1.541 88 K HN -0.362 nan 8.250 nan 0.000 0.396 89 D N 0.807 121.219 120.400 0.020 0.000 2.472 89 D HA 0.198 4.838 4.640 -0.000 0.000 0.237 89 D C -0.394 175.920 176.300 0.024 0.000 1.141 89 D CA 0.474 54.486 54.000 0.020 0.000 0.875 89 D CB 0.362 41.172 40.800 0.017 0.000 1.192 89 D HN 0.386 nan 8.370 nan 0.000 0.450 90 I N 1.364 121.949 120.570 0.026 0.000 2.466 90 I HA 0.147 4.317 4.170 -0.000 0.000 0.289 90 I C 0.103 176.236 176.117 0.028 0.000 1.026 90 I CA -0.643 60.674 61.300 0.030 0.000 1.078 90 I CB 1.849 39.871 38.000 0.036 0.000 1.249 90 I HN 0.135 nan 8.210 nan 0.000 0.429 91 S N 4.560 120.275 115.700 0.025 0.000 2.652 91 S HA 0.392 4.862 4.470 -0.000 0.000 0.270 91 S C 0.102 174.717 174.600 0.025 0.000 1.243 91 S CA -0.606 57.607 58.200 0.022 0.000 0.999 91 S CB 1.180 64.389 63.200 0.016 0.000 0.973 91 S HN 0.541 nan 8.310 nan 0.000 0.544 92 R N 1.346 121.860 120.500 0.022 0.000 2.585 92 R HA -0.011 4.329 4.340 -0.000 0.000 0.275 92 R C 0.058 176.371 176.300 0.020 0.000 1.018 92 R CA 0.520 56.634 56.100 0.024 0.000 1.072 92 R CB -0.147 30.163 30.300 0.018 0.000 0.953 92 R HN 0.737 nan 8.270 nan 0.000 0.419 93 N N 0.902 119.617 118.700 0.025 0.000 2.936 93 N HA -0.201 4.539 4.740 -0.000 0.000 0.236 93 N C -1.066 174.456 175.510 0.020 0.000 0.930 93 N CA 1.530 54.591 53.050 0.019 0.000 0.966 93 N CB -1.050 37.442 38.487 0.008 0.000 1.090 93 N HN 0.666 nan 8.380 nan 0.000 0.592 94 D N 0.507 120.922 120.400 0.026 0.000 2.400 94 D HA 0.198 4.838 4.640 -0.000 0.000 0.238 94 D C 0.452 176.772 176.300 0.033 0.000 1.157 94 D CA -0.009 54.007 54.000 0.026 0.000 0.889 94 D CB 0.882 41.700 40.800 0.030 0.000 1.199 94 D HN -0.113 nan 8.370 nan 0.000 0.436 95 V N 3.371 123.302 119.914 0.029 0.000 2.488 95 V HA 0.083 4.203 4.120 -0.000 0.000 0.277 95 V C 1.424 177.548 176.094 0.050 0.000 1.046 95 V CA -0.050 62.271 62.300 0.034 0.000 0.986 95 V CB 0.892 32.728 31.823 0.022 0.000 0.989 95 V HN 0.444 nan 8.190 nan 0.000 0.475 96 I N 5.322 125.933 120.570 0.069 0.000 2.585 96 I HA 0.144 4.314 4.170 -0.000 0.000 0.254 96 I C 0.168 176.341 176.117 0.093 0.000 1.129 96 I CA 0.867 62.219 61.300 0.088 0.000 1.455 96 I CB 0.065 38.133 38.000 0.113 0.000 1.111 96 I HN 0.577 nan 8.210 nan 0.000 0.433 97 L N -2.007 119.271 121.223 0.092 0.000 2.866 97 L HA 0.549 4.889 4.340 -0.000 0.000 0.262 97 L C -1.578 175.349 176.870 0.094 0.000 0.986 97 L CA -0.797 54.093 54.840 0.083 0.000 0.925 97 L CB 1.496 43.616 42.059 0.102 0.000 1.484 97 L HN -0.098 nan 8.230 nan 0.000 0.414 98 Q N 0.726 120.575 119.800 0.082 0.000 2.263 98 Q HA 0.774 5.114 4.340 -0.000 0.000 0.266 98 Q C -1.554 174.531 176.000 0.142 0.000 1.002 98 Q CA -0.830 55.047 55.803 0.124 0.000 0.790 98 Q CB 3.223 32.011 28.738 0.082 0.000 1.272 98 Q HN 0.564 nan 8.270 nan 0.000 0.435 99 V N 3.875 123.948 119.914 0.266 0.000 2.472 99 V HA 0.466 4.586 4.120 -0.000 0.000 0.290 99 V C -2.103 174.263 176.094 0.454 0.000 1.037 99 V CA -1.928 60.552 62.300 0.300 0.000 0.908 99 V CB 1.466 33.476 31.823 0.312 0.000 0.985 99 V HN 0.634 nan 8.190 nan 0.000 0.454 100 P HA 0.152 nan 4.420 nan 0.000 0.276 100 P C 0.326 177.368 177.300 -0.430 0.000 1.230 100 P CA -0.381 62.708 63.100 -0.018 0.000 0.776 100 P CB 1.171 32.854 31.700 -0.029 0.000 0.888 101 K N 3.343 123.168 120.400 -0.960 0.000 2.228 101 K HA -0.214 4.106 4.320 -0.000 0.000 0.205 101 K C 2.067 178.180 176.600 -0.811 0.000 1.045 101 K CA 1.205 56.408 56.287 -1.806 0.000 0.931 101 K CB -0.133 31.758 32.500 -1.014 0.000 0.727 101 K HN 0.285 nan 8.250 nan 0.000 0.458 102 R N 0.754 121.068 120.500 -0.309 0.000 2.170 102 R HA -0.141 4.199 4.340 -0.000 0.000 0.242 102 R C 1.416 177.796 176.300 0.133 0.000 1.145 102 R CA 1.375 57.443 56.100 -0.055 0.000 0.984 102 R CB -0.125 30.156 30.300 -0.031 0.000 0.869 102 R HN 0.302 nan 8.270 nan 0.000 0.455 103 L N -0.555 120.802 121.223 0.223 0.000 2.607 103 L HA 0.186 4.526 4.340 -0.000 0.000 0.228 103 L C 0.799 178.203 176.870 0.889 0.000 1.123 103 L CA -0.498 54.748 54.840 0.676 0.000 0.890 103 L CB -0.135 42.233 42.059 0.516 0.000 1.103 103 L HN 0.169 nan 8.230 nan 0.000 0.468 104 W N 0.804 122.244 121.300 0.234 0.000 1.900 104 W HA 0.213 4.873 4.660 -0.000 0.000 0.357 104 W C 0.228 176.661 176.519 -0.144 0.000 1.390 104 W CA -0.634 56.715 57.345 0.006 0.000 1.428 104 W CB 0.745 30.210 29.460 0.010 0.000 1.295 104 W HN -0.157 nan 8.180 nan 0.000 0.666 105 I N 2.812 123.387 120.570 0.009 0.000 2.700 105 I HA 0.015 4.185 4.170 -0.000 0.000 0.272 105 I C -0.638 175.396 176.117 -0.138 0.000 1.293 105 I CA -0.488 60.666 61.300 -0.245 0.000 0.989 105 I CB 0.083 37.812 38.000 -0.453 0.000 1.301 105 I HN 0.397 nan 8.210 nan 0.000 0.525 106 N N 4.033 122.687 118.700 -0.076 0.000 2.697 106 N HA 0.558 5.298 4.740 -0.000 0.000 0.272 106 N C -2.718 172.754 175.510 -0.064 0.000 1.381 106 N CA -1.798 51.237 53.050 -0.025 0.000 0.797 106 N CB 1.486 40.023 38.487 0.083 0.000 1.523 106 N HN -0.172 nan 8.380 nan 0.000 0.518 107 P HA -0.173 nan 4.420 nan 0.000 0.217 107 P C 0.511 177.799 177.300 -0.020 0.000 1.158 107 P CA 1.731 64.826 63.100 -0.009 0.000 0.887 107 P CB 0.149 31.870 31.700 0.035 0.000 0.792 108 D N -1.135 119.271 120.400 0.011 0.000 2.149 108 D HA -0.154 4.486 4.640 -0.000 0.000 0.198 108 D C 1.968 178.262 176.300 -0.010 0.000 0.990 108 D CA 1.674 55.685 54.000 0.018 0.000 0.839 108 D CB -0.741 40.086 40.800 0.045 0.000 0.948 108 D HN 0.106 nan 8.370 nan 0.000 0.460 109 A N 0.720 123.505 122.820 -0.059 0.000 1.933 109 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 109 A C 2.466 179.912 177.584 -0.230 0.000 1.175 109 A CA 1.881 53.848 52.037 -0.117 0.000 0.628 109 A CB -0.711 18.181 19.000 -0.179 0.000 0.814 109 A HN 0.251 nan 8.150 nan 0.000 0.444 110 V N -2.822 116.891 119.914 -0.335 0.000 2.667 110 V HA 0.091 4.211 4.120 -0.000 0.000 0.252 110 V C 2.367 178.491 176.094 0.050 0.000 1.065 110 V CA 1.686 63.885 62.300 -0.169 0.000 1.083 110 V CB -1.074 30.705 31.823 -0.073 0.000 0.692 110 V HN 0.474 nan 8.190 nan 0.000 0.468 111 A N 0.525 123.358 122.820 0.022 0.000 2.015 111 A HA 0.384 4.704 4.320 -0.000 0.000 0.219 111 A C 2.193 179.816 177.584 0.065 0.000 1.163 111 A CA 1.520 53.587 52.037 0.051 0.000 0.646 111 A CB -0.631 18.392 19.000 0.038 0.000 0.806 111 A HN 1.099 nan 8.150 nan 0.000 0.448 112 A N -0.031 122.831 122.820 0.069 0.000 2.423 112 A HA 0.478 4.798 4.320 -0.000 0.000 0.246 112 A C 1.082 178.738 177.584 0.120 0.000 1.278 112 A CA 0.564 52.650 52.037 0.083 0.000 0.903 112 A CB -0.497 18.549 19.000 0.076 0.000 0.997 112 A HN 0.636 nan 8.150 nan 0.000 0.510 113 S N -1.291 114.507 115.700 0.163 0.000 2.745 113 S HA 0.386 4.856 4.470 -0.000 0.000 0.292 113 S C 0.561 175.247 174.600 0.142 0.000 1.133 113 S CA -0.274 58.059 58.200 0.221 0.000 0.998 113 S CB 0.854 64.323 63.200 0.447 0.000 1.087 113 S HN 0.322 nan 8.310 nan 0.000 0.551 114 E N 0.246 120.508 120.200 0.103 0.000 2.219 114 E HA -0.156 4.194 4.350 -0.000 0.000 0.198 114 E C 1.368 177.983 176.600 0.025 0.000 0.998 114 E CA 1.597 58.017 56.400 0.035 0.000 0.818 114 E CB -0.611 29.079 29.700 -0.018 0.000 0.741 114 E HN 0.775 nan 8.360 nan 0.000 0.477 115 I N -3.282 117.327 120.570 0.064 0.000 3.861 115 I HA 0.294 4.464 4.170 -0.000 0.000 0.329 115 I C 1.731 177.929 176.117 0.135 0.000 1.321 115 I CA -0.004 61.343 61.300 0.078 0.000 1.126 115 I CB 0.177 38.236 38.000 0.097 0.000 1.018 115 I HN -0.121 nan 8.210 nan 0.000 0.407 116 G N 1.969 110.843 108.800 0.122 0.000 2.418 116 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 116 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 116 G C 1.762 176.712 174.900 0.083 0.000 1.158 116 G CA 0.357 45.520 45.100 0.106 0.000 0.771 116 G HN 0.282 nan 8.290 nan 0.000 0.545 117 R N 0.436 120.978 120.500 0.070 0.000 2.075 117 R HA -0.093 4.247 4.340 -0.000 0.000 0.230 117 R C 2.897 179.236 176.300 0.065 0.000 1.140 117 R CA 1.675 57.809 56.100 0.057 0.000 0.928 117 R CB -1.575 28.752 30.300 0.045 0.000 0.834 117 R HN 0.495 nan 8.270 nan 0.000 0.429 118 V N -1.103 118.859 119.914 0.081 0.000 2.660 118 V HA -0.190 3.930 4.120 -0.000 0.000 0.257 118 V C 1.910 178.063 176.094 0.098 0.000 1.088 118 V CA 1.552 63.911 62.300 0.098 0.000 1.106 118 V CB -0.977 30.936 31.823 0.149 0.000 0.686 118 V HN 0.225 nan 8.190 nan 0.000 0.481 119 C N 1.219 120.580 119.300 0.102 0.000 2.974 119 C HA 0.276 4.736 4.460 -0.000 0.000 0.282 119 C C 2.845 177.867 174.990 0.052 0.000 1.292 119 C CA 0.212 59.279 59.018 0.082 0.000 1.710 119 C CB -1.204 26.605 27.740 0.116 0.000 2.036 119 C HN 0.790 nan 8.230 nan 0.000 0.629 120 S N 1.811 117.541 115.700 0.050 0.000 2.402 120 S HA -0.227 4.243 4.470 -0.000 0.000 0.233 120 S C 1.160 175.776 174.600 0.026 0.000 1.030 120 S CA 1.786 60.009 58.200 0.038 0.000 1.003 120 S CB -0.254 62.968 63.200 0.037 0.000 0.813 120 S HN 0.625 nan 8.310 nan 0.000 0.477 121 E N 0.363 120.574 120.200 0.019 0.000 2.481 121 E HA 0.430 4.780 4.350 -0.000 0.000 0.198 121 E C -0.031 176.565 176.600 -0.007 0.000 1.027 121 E CA -0.172 56.233 56.400 0.009 0.000 0.900 121 E CB 0.119 29.823 29.700 0.007 0.000 0.993 121 E HN 0.549 nan 8.360 nan 0.000 0.482 122 L N 1.084 122.298 121.223 -0.015 0.000 2.418 122 L HA 0.226 4.566 4.340 -0.000 0.000 0.265 122 L C 0.626 177.458 176.870 -0.063 0.000 1.143 122 L CA -0.423 54.383 54.840 -0.058 0.000 0.809 122 L CB 0.737 42.757 42.059 -0.065 0.000 1.124 122 L HN -0.125 nan 8.230 nan 0.000 0.456 123 K N 3.093 123.420 120.400 -0.122 0.000 2.414 123 K HA 0.045 4.365 4.320 -0.000 0.000 0.272 123 K C -1.336 175.211 176.600 -0.089 0.000 0.993 123 K CA -1.150 55.084 56.287 -0.087 0.000 0.964 123 K CB 0.625 33.053 32.500 -0.119 0.000 0.925 123 K HN 0.366 nan 8.250 nan 0.000 0.487 124 P HA -0.239 nan 4.420 nan 0.000 0.217 124 P C 1.146 178.525 177.300 0.133 0.000 1.162 124 P CA 1.924 65.083 63.100 0.099 0.000 0.901 124 P CB -0.253 31.539 31.700 0.154 0.000 0.793 125 W N 0.493 121.836 121.300 0.072 0.000 2.436 125 W HA -0.008 4.652 4.660 -0.000 0.000 0.284 125 W C 1.962 178.556 176.519 0.125 0.000 1.225 125 W CA 0.226 57.625 57.345 0.090 0.000 1.271 125 W CB -1.855 27.669 29.460 0.107 0.000 1.114 125 W HN -0.133 nan 8.180 nan 0.000 0.559 126 L N 1.606 122.443 121.223 -0.644 0.000 2.083 126 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 126 L C 2.820 179.613 176.870 -0.128 0.000 1.083 126 L CA 1.785 56.293 54.840 -0.554 0.000 0.752 126 L CB -0.876 40.750 42.059 -0.721 0.000 0.899 126 L HN -0.091 nan 8.230 nan 0.000 0.433 127 S N -0.464 115.199 115.700 -0.061 0.000 2.368 127 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 127 S C 2.006 176.699 174.600 0.156 0.000 1.030 127 S CA 1.226 59.463 58.200 0.062 0.000 0.999 127 S CB -0.181 63.051 63.200 0.053 0.000 0.844 127 S HN 0.189 nan 8.310 nan 0.000 0.459 128 V N 2.025 122.026 119.914 0.144 0.000 2.515 128 V HA -0.132 3.988 4.120 -0.000 0.000 0.250 128 V C 2.024 178.280 176.094 0.270 0.000 1.058 128 V CA 1.252 63.667 62.300 0.190 0.000 1.064 128 V CB -0.739 31.170 31.823 0.143 0.000 0.675 128 V HN 0.436 nan 8.190 nan 0.000 0.461 129 I N -0.333 120.390 120.570 0.255 0.000 2.142 129 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 129 I C 2.403 178.691 176.117 0.284 0.000 1.078 129 I CA 1.730 63.208 61.300 0.296 0.000 1.343 129 I CB -0.301 37.904 38.000 0.343 0.000 1.046 129 I HN 0.260 nan 8.210 nan 0.000 0.405 130 L N -0.304 121.069 121.223 0.249 0.000 1.989 130 L HA -0.281 4.059 4.340 -0.000 0.000 0.211 130 L C 2.630 179.692 176.870 0.321 0.000 1.071 130 L CA 1.632 56.615 54.840 0.238 0.000 0.749 130 L CB -0.799 41.397 42.059 0.227 0.000 0.890 130 L HN 0.180 nan 8.230 nan 0.000 0.431 131 F N 0.657 120.736 119.950 0.215 0.000 2.091 131 F HA -0.294 4.233 4.527 -0.000 0.000 0.299 131 F C 2.317 178.245 175.800 0.214 0.000 1.103 131 F CA 1.694 59.817 58.000 0.205 0.000 1.228 131 F CB -0.210 38.890 39.000 0.167 0.000 0.984 131 F HN -0.112 nan 8.300 nan 0.000 0.477 132 L N -0.127 121.354 121.223 0.429 0.000 2.042 132 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 132 L C 2.439 179.486 176.870 0.295 0.000 1.076 132 L CA 1.549 56.649 54.840 0.434 0.000 0.749 132 L CB -0.681 41.639 42.059 0.436 0.000 0.893 132 L HN 0.216 nan 8.230 nan 0.000 0.432 133 I N -0.789 119.931 120.570 0.250 0.000 2.315 133 I HA -0.279 3.890 4.170 -0.000 0.000 0.248 133 I C 2.795 178.865 176.117 -0.079 0.000 1.117 133 I CA 1.024 62.370 61.300 0.076 0.000 1.404 133 I CB -0.347 37.644 38.000 -0.015 0.000 1.071 133 I HN 0.241 nan 8.210 nan 0.000 0.419 134 R N 1.134 121.621 120.500 -0.022 0.000 2.070 134 R HA -0.166 4.174 4.340 -0.000 0.000 0.232 134 R C 2.252 178.418 176.300 -0.223 0.000 1.138 134 R CA 1.460 57.513 56.100 -0.079 0.000 0.936 134 R CB -0.028 30.241 30.300 -0.053 0.000 0.839 134 R HN 0.194 nan 8.270 nan 0.000 0.429 135 E N 0.362 120.377 120.200 -0.308 0.000 2.209 135 E HA -0.227 4.123 4.350 -0.000 0.000 0.196 135 E C 1.905 178.217 176.600 -0.480 0.000 0.993 135 E CA 0.845 57.095 56.400 -0.249 0.000 0.819 135 E CB -0.252 29.465 29.700 0.028 0.000 0.745 135 E HN 0.359 nan 8.360 nan 0.000 0.477 136 R N 0.590 120.604 120.500 -0.809 0.000 2.096 136 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 136 R C 2.201 178.209 176.300 -0.486 0.000 1.127 136 R CA 1.416 56.920 56.100 -0.992 0.000 0.968 136 R CB 0.098 29.874 30.300 -0.873 0.000 0.861 136 R HN 0.012 nan 8.270 nan 0.000 0.440 137 S N 0.306 115.801 115.700 -0.342 0.000 2.371 137 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 137 S C 0.491 174.990 174.600 -0.169 0.000 1.029 137 S CA 0.523 58.589 58.200 -0.224 0.000 0.978 137 S CB -0.100 62.998 63.200 -0.169 0.000 0.833 137 S HN 0.328 nan 8.310 nan 0.000 0.466 138 R N 2.084 122.489 120.500 -0.158 0.000 2.502 138 R HA 0.040 4.380 4.340 -0.000 0.000 0.292 138 R C 0.433 176.676 176.300 -0.095 0.000 0.998 138 R CA 0.294 56.327 56.100 -0.112 0.000 1.056 138 R CB 0.136 30.379 30.300 -0.096 0.000 0.939 138 R HN 0.472 nan 8.270 nan 0.000 0.411 139 E N 1.626 121.779 120.200 -0.079 0.000 2.489 139 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 139 E C 0.044 176.604 176.600 -0.066 0.000 1.057 139 E CA 0.360 56.719 56.400 -0.068 0.000 0.866 139 E CB 0.242 29.908 29.700 -0.057 0.000 0.916 139 E HN 0.590 nan 8.360 nan 0.000 0.500 140 D N -0.154 120.207 120.400 -0.066 0.000 2.620 140 D HA -0.001 4.639 4.640 -0.000 0.000 0.260 140 D C 0.176 176.432 176.300 -0.073 0.000 1.367 140 D CA -0.212 53.747 54.000 -0.068 0.000 0.805 140 D CB 0.028 40.796 40.800 -0.052 0.000 1.096 140 D HN -0.143 nan 8.370 nan 0.000 0.488 141 S N -0.095 115.572 115.700 -0.056 0.000 2.584 141 S HA 0.112 4.582 4.470 -0.000 0.000 0.270 141 S C 1.518 176.037 174.600 -0.135 0.000 1.346 141 S CA -0.406 57.786 58.200 -0.013 0.000 1.018 141 S CB 1.298 64.590 63.200 0.154 0.000 0.899 141 S HN 0.037 nan 8.310 nan 0.000 0.542 142 V N 2.549 122.280 119.914 -0.305 0.000 2.970 142 V HA -0.034 4.086 4.120 -0.000 0.000 0.260 142 V C 0.609 176.281 176.094 -0.704 0.000 1.100 142 V CA 1.056 63.013 62.300 -0.573 0.000 1.122 142 V CB -0.861 30.451 31.823 -0.852 0.000 0.721 142 V HN 0.915 nan 8.190 nan 0.000 0.483 143 W N -0.492 120.814 121.300 0.009 0.000 2.764 143 W HA 0.440 5.100 4.660 0.000 0.000 0.427 143 W C 1.603 178.128 176.519 0.010 0.000 0.896 143 W CA -1.007 56.280 57.345 -0.097 0.000 2.307 143 W CB -0.382 29.087 29.460 0.015 0.000 1.192 143 W HN -0.020 nan 8.180 nan 0.000 0.731 144 K N 0.456 120.809 120.400 -0.078 0.000 2.032 144 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 144 K C 1.605 178.143 176.600 -0.104 0.000 1.048 144 K CA 1.796 58.028 56.287 -0.092 0.000 0.927 144 K CB -0.091 32.184 32.500 -0.375 0.000 0.712 144 K HN 0.244 nan 8.250 nan 0.000 0.441 145 H N -1.378 117.631 119.070 -0.101 0.000 2.462 145 H HA -0.112 4.444 4.556 -0.000 0.000 0.292 145 H C 1.816 177.273 175.328 0.214 0.000 1.049 145 H CA 1.172 57.244 56.048 0.040 0.000 1.334 145 H CB -0.351 29.405 29.762 -0.008 0.000 1.404 145 H HN 0.346 nan 8.280 nan 0.000 0.544 146 Y N 1.065 121.425 120.300 0.100 0.000 2.133 146 Y HA -0.161 4.389 4.550 -0.000 0.000 0.287 146 Y C 1.972 177.832 175.900 -0.067 0.000 1.134 146 Y CA 1.107 59.240 58.100 0.055 0.000 1.133 146 Y CB -0.831 37.648 38.460 0.032 0.000 0.987 146 Y HN -0.070 nan 8.280 nan 0.000 0.502 147 F N 0.020 119.995 119.950 0.041 0.000 2.333 147 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 147 F C 2.417 178.192 175.800 -0.041 0.000 1.083 147 F CA 1.042 59.029 58.000 -0.022 0.000 1.395 147 F CB -0.586 38.480 39.000 0.110 0.000 1.056 147 F HN 0.173 nan 8.300 nan 0.000 0.529 148 G N -0.671 108.212 108.800 0.138 0.000 2.920 148 G HA2 0.012 3.972 3.960 -0.000 0.000 0.208 148 G HA3 0.012 3.972 3.960 -0.000 0.000 0.208 148 G C 1.307 176.228 174.900 0.034 0.000 1.159 148 G CA 0.240 45.400 45.100 0.100 0.000 0.784 148 G HN 0.218 nan 8.290 nan 0.000 0.535 149 I N -0.018 120.505 120.570 -0.078 0.000 4.124 149 I HA 0.277 4.447 4.170 -0.000 0.000 0.311 149 I C 1.113 177.137 176.117 -0.155 0.000 1.259 149 I CA -0.179 61.029 61.300 -0.153 0.000 1.315 149 I CB -0.582 37.195 38.000 -0.371 0.000 1.223 149 I HN -0.011 nan 8.210 nan 0.000 0.441 150 L N 3.601 124.705 121.223 -0.199 0.000 2.540 150 L HA 0.051 4.391 4.340 -0.000 0.000 0.276 150 L C -1.926 174.981 176.870 0.062 0.000 1.212 150 L CA -1.042 53.738 54.840 -0.100 0.000 0.893 150 L CB -0.505 41.530 42.059 -0.040 0.000 1.138 150 L HN -0.073 nan 8.230 nan 0.000 0.491 151 P HA 0.083 nan 4.420 nan 0.000 0.275 151 P C -0.064 177.346 177.300 0.184 0.000 1.227 151 P CA -0.328 62.827 63.100 0.092 0.000 0.781 151 P CB 0.644 32.387 31.700 0.071 0.000 0.906 152 Q N 0.528 120.419 119.800 0.152 0.000 2.436 152 Q HA -0.024 4.316 4.340 -0.000 0.000 0.209 152 Q C 0.379 176.434 176.000 0.092 0.000 0.965 152 Q CA 1.046 56.970 55.803 0.202 0.000 0.910 152 Q CB 0.342 29.111 28.738 0.052 0.000 0.980 152 Q HN 0.554 nan 8.270 nan 0.000 0.491 153 E N -1.034 119.160 120.200 -0.011 0.000 2.423 153 E HA 0.213 4.563 4.350 -0.000 0.000 0.280 153 E C -1.221 175.410 176.600 0.052 0.000 1.030 153 E CA -0.301 55.965 56.400 -0.224 0.000 0.812 153 E CB 1.898 31.417 29.700 -0.301 0.000 1.313 153 E HN 0.086 nan 8.360 nan 0.000 0.456 154 T N -2.017 112.698 114.554 0.269 0.000 2.693 154 T HA 0.372 4.722 4.350 -0.000 0.000 0.278 154 T C -0.164 174.786 174.700 0.416 0.000 0.994 154 T CA -0.662 61.642 62.100 0.339 0.000 1.033 154 T CB 1.010 70.085 68.868 0.346 0.000 1.342 154 T HN 0.257 nan 8.240 nan 0.000 0.538 155 D N 1.067 121.682 120.400 0.359 0.000 2.336 155 D HA 0.203 4.843 4.640 -0.000 0.000 0.228 155 D C 0.638 177.246 176.300 0.513 0.000 1.120 155 D CA 0.127 54.383 54.000 0.425 0.000 0.839 155 D CB 0.202 41.204 40.800 0.336 0.000 0.932 155 D HN 0.503 nan 8.370 nan 0.000 0.509 156 S N 0.161 116.039 115.700 0.297 0.000 2.568 156 S HA -0.007 4.463 4.470 -0.000 0.000 0.282 156 S C 1.839 176.349 174.600 -0.150 0.000 1.338 156 S CA 0.012 58.201 58.200 -0.017 0.000 1.045 156 S CB 0.950 64.012 63.200 -0.229 0.000 0.873 156 S HN 0.321 nan 8.310 nan 0.000 0.516 157 T N 3.003 117.187 114.554 -0.617 0.000 2.977 157 T HA -0.143 4.207 4.350 -0.000 0.000 0.271 157 T C 1.761 176.108 174.700 -0.589 0.000 1.105 157 T CA 1.393 62.761 62.100 -1.220 0.000 1.116 157 T CB -0.915 67.234 68.868 -1.200 0.000 0.878 157 T HN 0.809 nan 8.240 nan 0.000 0.509 158 I N -2.606 117.654 120.570 -0.517 0.000 2.916 158 I HA 0.022 4.192 4.170 -0.000 0.000 0.267 158 I C 1.514 177.430 176.117 -0.336 0.000 1.263 158 I CA 0.973 61.945 61.300 -0.546 0.000 1.471 158 I CB -0.720 36.822 38.000 -0.763 0.000 1.089 158 I HN 0.187 nan 8.210 nan 0.000 0.468 159 Y N -0.978 119.353 120.300 0.052 0.000 2.467 159 Y HA 0.233 4.783 4.550 0.000 0.000 0.250 159 Y C 0.556 176.645 175.900 0.316 0.000 1.155 159 Y CA -1.275 56.937 58.100 0.186 0.000 1.249 159 Y CB 0.172 38.759 38.460 0.212 0.000 1.146 159 Y HN 0.093 nan 8.280 nan 0.000 0.524 160 W N 2.394 123.766 121.300 0.120 0.000 2.158 160 W HA 0.192 4.852 4.660 -0.000 0.000 0.339 160 W C 0.965 177.527 176.519 0.073 0.000 1.294 160 W CA -1.022 56.373 57.345 0.083 0.000 1.231 160 W CB 0.355 29.838 29.460 0.039 0.000 1.143 160 W HN -0.077 nan 8.180 nan 0.000 0.571 161 S N 0.685 116.536 115.700 0.251 0.000 2.634 161 S HA 0.070 4.540 4.470 -0.000 0.000 0.261 161 S C 1.068 175.760 174.600 0.155 0.000 1.271 161 S CA -0.148 58.147 58.200 0.158 0.000 0.985 161 S CB 1.172 64.422 63.200 0.084 0.000 0.968 161 S HN 0.492 nan 8.310 nan 0.000 0.568 162 E N 0.730 120.993 120.200 0.106 0.000 2.110 162 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 162 E C 1.648 178.291 176.600 0.072 0.000 0.988 162 E CA 1.866 58.316 56.400 0.084 0.000 0.804 162 E CB -0.430 29.304 29.700 0.057 0.000 0.745 162 E HN 0.787 nan 8.360 nan 0.000 0.458 163 E N 0.497 120.729 120.200 0.054 0.000 2.047 163 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 163 E C 2.073 178.701 176.600 0.046 0.000 0.987 163 E CA 1.442 57.862 56.400 0.033 0.000 0.799 163 E CB -0.243 29.466 29.700 0.014 0.000 0.752 163 E HN 0.369 nan 8.360 nan 0.000 0.449 164 E N 0.605 120.835 120.200 0.050 0.000 2.058 164 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 164 E C 2.047 178.804 176.600 0.262 0.000 0.997 164 E CA 0.967 57.384 56.400 0.028 0.000 0.801 164 E CB -0.214 29.417 29.700 -0.116 0.000 0.746 164 E HN 0.201 nan 8.360 nan 0.000 0.450 165 L N 0.770 122.195 121.223 0.336 0.000 2.191 165 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 165 L C 2.407 179.379 176.870 0.170 0.000 1.103 165 L CA 0.982 56.014 54.840 0.320 0.000 0.769 165 L CB -0.273 41.893 42.059 0.179 0.000 0.908 165 L HN 0.189 nan 8.230 nan 0.000 0.438 166 Q N -0.409 119.446 119.800 0.093 0.000 2.226 166 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 166 Q C 1.791 177.776 176.000 -0.025 0.000 0.975 166 Q CA 1.090 56.887 55.803 -0.010 0.000 0.866 166 Q CB 0.025 28.733 28.738 -0.050 0.000 0.915 166 Q HN 0.281 nan 8.270 nan 0.000 0.440 167 E N 0.199 120.463 120.200 0.107 0.000 2.478 167 E HA -0.042 4.308 4.350 -0.000 0.000 0.198 167 E C 0.800 177.572 176.600 0.286 0.000 1.046 167 E CA 0.552 57.077 56.400 0.207 0.000 0.870 167 E CB 0.217 30.032 29.700 0.192 0.000 0.818 167 E HN 0.286 nan 8.360 nan 0.000 0.527 168 L N 0.146 121.503 121.223 0.223 0.000 2.808 168 L HA 0.199 4.539 4.340 -0.000 0.000 0.246 168 L C 0.614 177.539 176.870 0.091 0.000 1.153 168 L CA -0.292 54.659 54.840 0.185 0.000 0.956 168 L CB 0.150 42.282 42.059 0.121 0.000 1.270 168 L HN 0.078 nan 8.230 nan 0.000 0.528 169 Q N 0.963 120.792 119.800 0.047 0.000 2.368 169 Q HA -0.059 4.281 4.340 -0.000 0.000 0.331 169 Q C 1.275 177.209 176.000 -0.110 0.000 1.086 169 Q CA 1.373 57.151 55.803 -0.041 0.000 1.031 169 Q CB 0.369 29.038 28.738 -0.116 0.000 1.125 169 Q HN 0.456 nan 8.270 nan 0.000 0.389 170 G N 2.564 111.235 108.800 -0.214 0.000 2.267 170 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.257 170 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.257 170 G C 0.116 174.630 174.900 -0.643 0.000 0.998 170 G CA 0.448 45.271 45.100 -0.462 0.000 0.620 170 G HN 1.131 nan 8.290 nan 0.000 0.529 171 S N -0.250 115.240 115.700 -0.351 0.000 2.603 171 S HA 0.529 4.999 4.470 -0.000 0.000 0.268 171 S C 1.163 175.752 174.600 -0.018 0.000 1.317 171 S CA 0.720 58.888 58.200 -0.054 0.000 1.012 171 S CB 1.882 65.174 63.200 0.154 0.000 0.926 171 S HN 0.576 nan 8.310 nan 0.000 0.539 172 Q N 0.202 120.037 119.800 0.059 0.000 2.079 172 Q HA -0.097 4.243 4.340 -0.000 0.000 0.200 172 Q C 1.887 177.801 176.000 -0.144 0.000 0.974 172 Q CA 1.203 56.942 55.803 -0.108 0.000 0.840 172 Q CB -0.329 28.163 28.738 -0.409 0.000 0.898 172 Q HN 0.808 nan 8.270 nan 0.000 0.430 173 L N 0.768 121.921 121.223 -0.116 0.000 2.043 173 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 173 L C 2.089 178.850 176.870 -0.182 0.000 1.075 173 L CA 1.637 56.380 54.840 -0.160 0.000 0.752 173 L CB -0.821 41.153 42.059 -0.142 0.000 0.891 173 L HN 0.423 nan 8.230 nan 0.000 0.432 174 L N -0.317 120.822 121.223 -0.141 0.000 1.994 174 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 174 L C 2.501 179.290 176.870 -0.134 0.000 1.071 174 L CA 1.943 56.698 54.840 -0.141 0.000 0.745 174 L CB -0.783 41.221 42.059 -0.092 0.000 0.892 174 L HN 0.273 nan 8.230 nan 0.000 0.431 175 K N -1.200 119.131 120.400 -0.115 0.000 2.044 175 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 175 K C 1.915 178.440 176.600 -0.126 0.000 1.049 175 K CA 2.119 58.344 56.287 -0.103 0.000 0.927 175 K CB -0.617 31.830 32.500 -0.088 0.000 0.713 175 K HN 0.409 nan 8.250 nan 0.000 0.443 176 T N 0.754 115.214 114.554 -0.157 0.000 2.684 176 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 176 T C 2.155 176.742 174.700 -0.189 0.000 1.036 176 T CA 2.117 64.108 62.100 -0.182 0.000 1.148 176 T CB -0.595 68.145 68.868 -0.212 0.000 0.863 176 T HN 0.545 nan 8.240 nan 0.000 0.436 177 T N 0.865 115.292 114.554 -0.211 0.000 2.746 177 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 177 T C 2.050 176.632 174.700 -0.196 0.000 1.039 177 T CA 1.154 63.110 62.100 -0.240 0.000 1.142 177 T CB -0.992 67.692 68.868 -0.306 0.000 0.866 177 T HN 0.203 nan 8.240 nan 0.000 0.444 178 V N 1.678 121.502 119.914 -0.151 0.000 2.343 178 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 178 V C 3.104 179.148 176.094 -0.082 0.000 1.051 178 V CA 2.098 64.337 62.300 -0.102 0.000 1.036 178 V CB -1.016 30.763 31.823 -0.074 0.000 0.654 178 V HN 0.527 nan 8.190 nan 0.000 0.451 179 S N -0.275 115.370 115.700 -0.092 0.000 2.356 179 S HA -0.167 4.303 4.470 -0.000 0.000 0.223 179 S C 2.007 176.567 174.600 -0.066 0.000 1.032 179 S CA 1.567 59.724 58.200 -0.072 0.000 1.005 179 S CB -0.200 62.938 63.200 -0.103 0.000 0.867 179 S HN 0.379 nan 8.310 nan 0.000 0.449 180 V N 1.901 121.742 119.914 -0.121 0.000 2.358 180 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 180 V C 2.261 178.266 176.094 -0.148 0.000 1.047 180 V CA 1.585 63.804 62.300 -0.135 0.000 1.035 180 V CB -0.521 31.200 31.823 -0.171 0.000 0.658 180 V HN 0.421 nan 8.190 nan 0.000 0.452 181 K N -0.211 120.083 120.400 -0.177 0.000 2.057 181 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 181 K C 2.230 178.877 176.600 0.078 0.000 1.049 181 K CA 1.759 57.947 56.287 -0.164 0.000 0.931 181 K CB -0.179 32.198 32.500 -0.205 0.000 0.714 181 K HN 0.568 nan 8.250 nan 0.000 0.440 182 E N 0.367 120.593 120.200 0.043 0.000 2.017 182 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 182 E C 2.034 178.673 176.600 0.065 0.000 0.997 182 E CA 1.253 57.691 56.400 0.062 0.000 0.804 182 E CB -0.223 29.501 29.700 0.040 0.000 0.757 182 E HN 0.285 nan 8.360 nan 0.000 0.448 183 Y N 1.105 121.375 120.300 -0.050 0.000 2.114 183 Y HA -0.271 4.279 4.550 -0.000 0.000 0.282 183 Y C 2.141 178.022 175.900 -0.031 0.000 1.165 183 Y CA 1.850 59.924 58.100 -0.043 0.000 1.148 183 Y CB -0.481 37.944 38.460 -0.058 0.000 0.972 183 Y HN -0.063 nan 8.280 nan 0.000 0.504 184 V N 1.064 120.948 119.914 -0.051 0.000 2.407 184 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 184 V C 2.449 178.444 176.094 -0.165 0.000 1.055 184 V CA 2.283 64.509 62.300 -0.124 0.000 1.049 184 V CB -0.790 30.889 31.823 -0.240 0.000 0.662 184 V HN 0.411 nan 8.190 nan 0.000 0.455 185 K N 0.475 120.824 120.400 -0.086 0.000 2.009 185 K HA -0.233 4.087 4.320 -0.000 0.000 0.210 185 K C 2.073 178.505 176.600 -0.280 0.000 1.049 185 K CA 2.021 58.185 56.287 -0.205 0.000 0.929 185 K CB -0.234 32.220 32.500 -0.077 0.000 0.714 185 K HN 0.475 nan 8.250 nan 0.000 0.440 186 N N 1.224 119.785 118.700 -0.231 0.000 2.025 186 N HA -0.179 4.561 4.740 -0.000 0.000 0.194 186 N C 1.640 176.953 175.510 -0.330 0.000 1.044 186 N CA 1.446 54.350 53.050 -0.244 0.000 0.851 186 N CB -0.546 37.826 38.487 -0.192 0.000 1.036 186 N HN 0.293 nan 8.380 nan 0.000 0.422 187 E N 0.696 120.639 120.200 -0.428 0.000 2.130 187 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 187 E C 2.164 178.491 176.600 -0.455 0.000 0.998 187 E CA 0.643 56.781 56.400 -0.436 0.000 0.806 187 E CB -0.614 28.792 29.700 -0.490 0.000 0.738 187 E HN 0.385 nan 8.360 nan 0.000 0.459 188 C N 0.396 119.353 119.300 -0.572 0.000 2.450 188 C HA 0.011 4.471 4.460 -0.000 0.000 0.279 188 C C 2.818 177.309 174.990 -0.832 0.000 1.335 188 C CA 0.028 58.461 59.018 -0.975 0.000 1.749 188 C CB -1.000 25.795 27.740 -1.576 0.000 1.963 188 C HN 0.359 nan 8.230 nan 0.000 0.501 189 L N 0.616 121.525 121.223 -0.523 0.000 2.056 189 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 189 L C 2.568 179.295 176.870 -0.239 0.000 1.078 189 L CA 1.518 56.165 54.840 -0.322 0.000 0.749 189 L CB -0.611 41.311 42.059 -0.229 0.000 0.901 189 L HN 0.368 nan 8.230 nan 0.000 0.433 190 K N 0.205 120.460 120.400 -0.241 0.000 2.097 190 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 190 K C 2.096 178.594 176.600 -0.169 0.000 1.049 190 K CA 1.096 57.276 56.287 -0.178 0.000 0.933 190 K CB -0.205 32.191 32.500 -0.175 0.000 0.717 190 K HN 0.253 nan 8.250 nan 0.000 0.442 191 L N 0.998 122.089 121.223 -0.221 0.000 2.046 191 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 191 L C 2.696 179.488 176.870 -0.130 0.000 1.077 191 L CA 1.335 56.072 54.840 -0.172 0.000 0.747 191 L CB -0.392 41.561 42.059 -0.175 0.000 0.896 191 L HN 0.317 nan 8.230 nan 0.000 0.432 192 E N 0.575 120.710 120.200 -0.109 0.000 2.031 192 E HA -0.299 4.051 4.350 -0.000 0.000 0.193 192 E C 2.084 178.643 176.600 -0.069 0.000 0.994 192 E CA 1.708 58.075 56.400 -0.057 0.000 0.800 192 E CB 0.008 29.704 29.700 -0.007 0.000 0.752 192 E HN 0.642 nan 8.360 nan 0.000 0.447 193 Q N -0.542 119.214 119.800 -0.073 0.000 2.435 193 Q HA -0.049 4.291 4.340 -0.000 0.000 0.207 193 Q C 1.086 177.059 176.000 -0.046 0.000 0.956 193 Q CA 1.125 56.895 55.803 -0.054 0.000 0.917 193 Q CB 0.246 28.950 28.738 -0.057 0.000 0.997 193 Q HN 0.289 nan 8.270 nan 0.000 0.497 194 E N -0.707 119.458 120.200 -0.058 0.000 2.539 194 E HA 0.179 4.529 4.350 -0.000 0.000 0.215 194 E C 0.323 176.909 176.600 -0.023 0.000 0.965 194 E CA 0.059 56.435 56.400 -0.040 0.000 1.019 194 E CB 0.721 30.392 29.700 -0.050 0.000 1.059 194 E HN 0.294 nan 8.360 nan 0.000 0.496 195 I N -0.880 119.664 120.570 -0.042 0.000 4.420 195 I HA 0.028 4.198 4.170 -0.000 0.000 0.292 195 I C 1.572 177.668 176.117 -0.034 0.000 1.153 195 I CA 0.132 61.428 61.300 -0.007 0.000 1.315 195 I CB 0.297 38.280 38.000 -0.028 0.000 1.616 195 I HN -0.047 nan 8.210 nan 0.000 0.450 196 I N 0.561 120.988 120.570 -0.238 0.000 2.233 196 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 196 I C 2.246 178.361 176.117 -0.004 0.000 1.093 196 I CA 1.582 62.671 61.300 -0.351 0.000 1.380 196 I CB -0.266 37.493 38.000 -0.403 0.000 1.067 196 I HN 0.135 nan 8.210 nan 0.000 0.413 197 L N 0.978 122.195 121.223 -0.010 0.000 2.007 197 L HA -0.068 4.272 4.340 -0.000 0.000 0.205 197 L C -0.103 176.798 176.870 0.052 0.000 1.073 197 L CA 1.135 55.989 54.840 0.024 0.000 0.744 197 L CB -2.194 39.866 42.059 0.001 0.000 0.898 197 L HN 0.169 nan 8.230 nan 0.000 0.435 198 P HA -0.173 nan 4.420 nan 0.000 0.220 198 P C 0.047 177.394 177.300 0.077 0.000 1.144 198 P CA 1.405 64.534 63.100 0.049 0.000 0.800 198 P CB -0.118 31.605 31.700 0.038 0.000 0.772 199 N N 0.530 119.312 118.700 0.137 0.000 2.761 199 N HA 0.052 4.792 4.740 -0.000 0.000 0.317 199 N C 1.322 176.937 175.510 0.175 0.000 1.546 199 N CA -0.134 53.012 53.050 0.159 0.000 1.015 199 N CB 0.403 39.027 38.487 0.228 0.000 1.343 199 N HN 0.394 nan 8.380 nan 0.000 0.504 200 K N 0.123 120.592 120.400 0.114 0.000 2.362 200 K HA -0.185 4.135 4.320 -0.000 0.000 0.202 200 K C 1.707 178.332 176.600 0.041 0.000 1.045 200 K CA 0.845 57.187 56.287 0.091 0.000 0.936 200 K CB 0.227 32.757 32.500 0.050 0.000 0.747 200 K HN 0.136 nan 8.250 nan 0.000 0.467 201 R N 1.196 121.702 120.500 0.009 0.000 2.090 201 R HA 0.008 4.348 4.340 -0.000 0.000 0.228 201 R C 2.061 178.297 176.300 -0.106 0.000 1.110 201 R CA 0.865 56.943 56.100 -0.037 0.000 0.973 201 R CB -0.062 30.218 30.300 -0.033 0.000 0.869 201 R HN 0.283 nan 8.270 nan 0.000 0.440 202 L N -0.577 120.535 121.223 -0.186 0.000 2.307 202 L HA 0.130 4.470 4.340 -0.000 0.000 0.211 202 L C 0.108 176.569 176.870 -0.682 0.000 1.099 202 L CA 0.350 54.905 54.840 -0.474 0.000 0.816 202 L CB 0.293 41.952 42.059 -0.666 0.000 0.952 202 L HN 0.049 nan 8.230 nan 0.000 0.455 203 F N -0.712 119.224 119.950 -0.025 0.000 2.449 203 F HA 0.326 4.853 4.527 -0.000 0.000 0.344 203 F C -1.766 174.009 175.800 -0.043 0.000 1.180 203 F CA -1.727 56.249 58.000 -0.040 0.000 1.209 203 F CB 0.408 39.389 39.000 -0.030 0.000 1.440 203 F HN -0.216 nan 8.300 nan 0.000 0.526 204 P HA -0.115 nan 4.420 nan 0.000 0.213 204 P C -0.085 177.226 177.300 0.018 0.000 1.170 204 P CA 1.343 64.453 63.100 0.017 0.000 0.898 204 P CB 0.223 31.910 31.700 -0.022 0.000 0.787 205 D N -0.074 120.327 120.400 0.002 0.000 2.362 205 D HA 0.151 4.791 4.640 -0.000 0.000 0.242 205 D C -2.044 174.245 176.300 -0.018 0.000 1.132 205 D CA -0.961 53.025 54.000 -0.023 0.000 0.907 205 D CB -0.456 40.311 40.800 -0.055 0.000 1.195 205 D HN 0.065 nan 8.370 nan 0.000 0.429 206 P HA 0.130 nan 4.420 nan 0.000 0.272 206 P C -0.709 176.538 177.300 -0.088 0.000 1.230 206 P CA -0.409 62.664 63.100 -0.045 0.000 0.788 206 P CB 0.718 32.394 31.700 -0.040 0.000 0.949 207 V N 1.076 120.928 119.914 -0.103 0.000 2.407 207 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 207 V C 0.472 176.488 176.094 -0.130 0.000 1.018 207 V CA -0.551 61.625 62.300 -0.206 0.000 0.842 207 V CB 1.160 32.773 31.823 -0.350 0.000 0.996 207 V HN 0.707 nan 8.190 nan 0.000 0.426 208 T N 1.766 116.235 114.554 -0.143 0.000 2.881 208 T HA 0.499 4.849 4.350 -0.000 0.000 0.278 208 T C 1.168 175.882 174.700 0.024 0.000 0.982 208 T CA -0.582 61.492 62.100 -0.043 0.000 0.989 208 T CB 1.486 70.326 68.868 -0.046 0.000 1.058 208 T HN 0.353 nan 8.240 nan 0.000 0.529 209 L N 0.092 121.348 121.223 0.055 0.000 2.083 209 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 209 L C 2.047 178.904 176.870 -0.022 0.000 1.083 209 L CA 1.693 56.530 54.840 -0.005 0.000 0.752 209 L CB -0.526 41.430 42.059 -0.172 0.000 0.899 209 L HN 0.745 nan 8.230 nan 0.000 0.433 210 D N -0.069 120.360 120.400 0.049 0.000 2.123 210 D HA -0.221 4.419 4.640 -0.000 0.000 0.196 210 D C 1.790 178.205 176.300 0.191 0.000 0.992 210 D CA 1.337 55.429 54.000 0.153 0.000 0.833 210 D CB -0.077 40.775 40.800 0.086 0.000 0.954 210 D HN 0.348 nan 8.370 nan 0.000 0.455 211 D N -0.673 119.745 120.400 0.030 0.000 2.144 211 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 211 D C 1.863 178.243 176.300 0.134 0.000 0.978 211 D CA 0.625 54.613 54.000 -0.020 0.000 0.833 211 D CB -0.168 40.464 40.800 -0.279 0.000 0.961 211 D HN 0.235 nan 8.370 nan 0.000 0.470 212 F N 0.423 120.463 119.950 0.150 0.000 2.113 212 F HA -0.021 4.506 4.527 0.000 0.000 0.297 212 F C 2.358 178.394 175.800 0.393 0.000 1.103 212 F CA 0.754 58.854 58.000 0.168 0.000 1.248 212 F CB -0.900 38.060 39.000 -0.066 0.000 0.999 212 F HN -0.062 nan 8.300 nan 0.000 0.475 213 F N -2.062 118.181 119.950 0.487 0.000 2.269 213 F HA -0.242 4.285 4.527 -0.000 0.000 0.301 213 F C 2.238 178.390 175.800 0.586 0.000 1.082 213 F CA 0.415 58.701 58.000 0.476 0.000 1.360 213 F CB -0.461 38.796 39.000 0.429 0.000 1.041 213 F HN 0.154 nan 8.300 nan 0.000 0.512 214 W N 1.087 122.699 121.300 0.520 0.000 2.409 214 W HA -0.115 4.545 4.660 -0.000 0.000 0.299 214 W C 2.308 179.027 176.519 0.333 0.000 1.203 214 W CA 1.688 59.254 57.345 0.369 0.000 1.298 214 W CB -0.428 29.139 29.460 0.178 0.000 1.127 214 W HN -0.097 nan 8.180 nan 0.000 0.528 215 A N -0.116 122.912 122.820 0.347 0.000 1.897 215 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 215 A C 1.934 179.591 177.584 0.122 0.000 1.181 215 A CA 1.408 53.479 52.037 0.057 0.000 0.620 215 A CB -1.480 17.725 19.000 0.342 0.000 0.821 215 A HN 0.459 nan 8.150 nan 0.000 0.443 216 F N 1.345 121.422 119.950 0.212 0.000 2.069 216 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 216 F C 2.351 178.160 175.800 0.015 0.000 1.113 216 F CA 1.624 59.732 58.000 0.180 0.000 1.214 216 F CB -0.840 38.330 39.000 0.282 0.000 0.978 216 F HN 0.203 nan 8.300 nan 0.000 0.474 217 G N 1.073 109.909 108.800 0.060 0.000 2.469 217 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.219 217 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.219 217 G C 1.686 176.462 174.900 -0.208 0.000 1.150 217 G CA 1.152 46.198 45.100 -0.089 0.000 0.763 217 G HN 0.370 nan 8.290 nan 0.000 0.561 218 I N 0.233 120.633 120.570 -0.284 0.000 2.179 218 I HA -0.078 4.092 4.170 -0.000 0.000 0.242 218 I C 2.745 178.706 176.117 -0.260 0.000 1.088 218 I CA 0.710 61.812 61.300 -0.331 0.000 1.357 218 I CB -1.142 36.530 38.000 -0.547 0.000 1.051 218 I HN 0.076 nan 8.210 nan 0.000 0.409 219 L N 0.654 121.724 121.223 -0.255 0.000 1.970 219 L HA -0.174 4.166 4.340 -0.000 0.000 0.212 219 L C 2.758 179.424 176.870 -0.341 0.000 1.071 219 L CA 1.830 56.528 54.840 -0.236 0.000 0.751 219 L CB -0.839 41.127 42.059 -0.156 0.000 0.889 219 L HN 0.160 nan 8.230 nan 0.000 0.432 220 R N -0.783 119.401 120.500 -0.526 0.000 2.096 220 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 220 R C 2.168 178.174 176.300 -0.490 0.000 1.127 220 R CA 1.593 57.343 56.100 -0.583 0.000 0.968 220 R CB -0.511 29.310 30.300 -0.798 0.000 0.861 220 R HN 0.597 nan 8.270 nan 0.000 0.440 221 S N -0.896 114.595 115.700 -0.348 0.000 2.548 221 S HA 0.144 4.614 4.470 -0.000 0.000 0.215 221 S C 1.586 176.174 174.600 -0.020 0.000 0.976 221 S CA -0.127 57.989 58.200 -0.140 0.000 0.908 221 S CB 0.410 63.612 63.200 0.003 0.000 0.781 221 S HN 0.214 nan 8.310 nan 0.000 0.519 222 R N 0.205 120.600 120.500 -0.175 0.000 2.470 222 R HA 0.449 4.789 4.340 -0.000 0.000 0.210 222 R C 0.605 176.661 176.300 -0.406 0.000 0.873 222 R CA 0.471 56.423 56.100 -0.247 0.000 1.015 222 R CB 0.253 30.465 30.300 -0.147 0.000 1.348 222 R HN 0.359 nan 8.270 nan 0.000 0.650 223 A N 1.493 124.129 122.820 -0.306 0.000 2.498 223 A HA 0.278 4.598 4.320 -0.000 0.000 0.239 223 A C -0.612 176.763 177.584 -0.347 0.000 1.068 223 A CA 0.310 52.192 52.037 -0.259 0.000 0.766 223 A CB -0.076 18.829 19.000 -0.158 0.000 1.003 223 A HN 0.101 nan 8.150 nan 0.000 0.497 224 F N 1.394 121.187 119.950 -0.261 0.000 2.408 224 F HA 0.389 4.916 4.527 -0.000 0.000 0.344 224 F C 1.392 177.135 175.800 -0.094 0.000 1.112 224 F CA 0.459 58.323 58.000 -0.227 0.000 1.096 224 F CB 1.988 40.707 39.000 -0.467 0.000 1.129 224 F HN 0.602 nan 8.300 nan 0.000 0.486 225 S N 1.146 116.939 115.700 0.156 0.000 2.604 225 S HA 0.157 4.627 4.470 -0.000 0.000 0.235 225 S C 0.994 175.668 174.600 0.124 0.000 1.043 225 S CA -0.477 57.785 58.200 0.104 0.000 0.997 225 S CB -0.029 63.185 63.200 0.024 0.000 0.956 225 S HN 0.595 nan 8.310 nan 0.000 0.535 226 R N 1.100 121.708 120.500 0.179 0.000 4.792 226 R HA 0.460 4.800 4.340 -0.000 0.000 0.205 226 R C -1.189 175.111 176.300 -0.001 0.000 1.875 226 R CA -0.143 55.922 56.100 -0.058 0.000 1.588 226 R CB -0.435 29.614 30.300 -0.418 0.000 1.401 226 R HN 0.283 nan 8.270 nan 0.000 0.834 227 L N -0.106 121.206 121.223 0.148 0.000 2.350 227 L HA 0.456 4.796 4.340 -0.000 0.000 0.260 227 L C -0.650 176.293 176.870 0.120 0.000 1.015 227 L CA -0.993 53.957 54.840 0.183 0.000 0.821 227 L CB 1.771 43.980 42.059 0.249 0.000 1.370 227 L HN 0.141 nan 8.230 nan 0.000 0.416 228 R N 2.689 123.255 120.500 0.110 0.000 2.265 228 R HA 0.274 4.614 4.340 -0.000 0.000 0.314 228 R C 0.013 176.359 176.300 0.077 0.000 1.053 228 R CA 0.189 56.339 56.100 0.083 0.000 0.931 228 R CB 0.173 30.514 30.300 0.068 0.000 1.024 228 R HN 0.783 nan 8.270 nan 0.000 0.457 229 N N 1.800 120.537 118.700 0.062 0.000 2.863 229 N HA -0.173 4.567 4.740 -0.000 0.000 0.245 229 N C -1.259 174.294 175.510 0.071 0.000 1.001 229 N CA 1.365 54.447 53.050 0.053 0.000 0.901 229 N CB -0.468 38.041 38.487 0.037 0.000 1.124 229 N HN 0.705 nan 8.380 nan 0.000 0.582 230 E N 0.311 120.563 120.200 0.087 0.000 2.409 230 E HA 0.300 4.650 4.350 -0.000 0.000 0.259 230 E C -0.470 176.183 176.600 0.090 0.000 0.932 230 E CA -0.319 56.140 56.400 0.098 0.000 0.809 230 E CB 0.673 30.451 29.700 0.131 0.000 1.341 230 E HN 0.081 nan 8.360 nan 0.000 0.405 231 N N 2.074 120.817 118.700 0.072 0.000 2.328 231 N HA 0.285 5.025 4.740 -0.000 0.000 0.247 231 N C -0.677 174.860 175.510 0.045 0.000 1.165 231 N CA 0.081 53.167 53.050 0.059 0.000 0.873 231 N CB 0.623 39.139 38.487 0.047 0.000 1.125 231 N HN 0.358 nan 8.380 nan 0.000 0.513 232 L N -0.020 121.229 121.223 0.044 0.000 2.868 232 L HA 0.241 4.581 4.340 -0.000 0.000 0.235 232 L C -1.957 174.913 176.870 0.001 0.000 0.993 232 L CA -0.278 54.575 54.840 0.021 0.000 1.070 232 L CB 0.501 42.589 42.059 0.049 0.000 1.371 232 L HN -0.266 nan 8.230 nan 0.000 0.554 233 V N 2.989 122.880 119.914 -0.038 0.000 2.709 233 V HA 0.524 4.644 4.120 -0.000 0.000 0.308 233 V C -0.399 175.590 176.094 -0.175 0.000 1.062 233 V CA -0.731 61.491 62.300 -0.130 0.000 0.901 233 V CB 2.466 34.131 31.823 -0.262 0.000 1.003 233 V HN 0.196 nan 8.190 nan 0.000 0.425 234 V N 4.776 124.557 119.914 -0.223 0.000 2.347 234 V HA 0.424 4.544 4.120 -0.000 0.000 0.280 234 V C -0.314 175.563 176.094 -0.360 0.000 1.021 234 V CA -0.443 61.721 62.300 -0.228 0.000 0.847 234 V CB 1.783 33.492 31.823 -0.191 0.000 0.990 234 V HN 0.638 nan 8.190 nan 0.000 0.444 235 V N 8.205 127.874 119.914 -0.409 0.000 2.313 235 V HA 0.264 4.384 4.120 -0.000 0.000 0.278 235 V C -1.447 174.508 176.094 -0.231 0.000 1.017 235 V CA -1.512 60.469 62.300 -0.531 0.000 0.823 235 V CB 1.372 32.444 31.823 -1.252 0.000 1.010 235 V HN 0.612 nan 8.190 nan 0.000 0.443 236 P HA -0.287 nan 4.420 nan 0.000 0.219 236 P C 1.675 179.246 177.300 0.452 0.000 1.159 236 P CA 1.963 65.061 63.100 -0.002 0.000 0.944 236 P CB 0.182 32.009 31.700 0.212 0.000 0.792 237 M N -2.272 117.551 119.600 0.373 0.000 2.466 237 M HA 0.093 4.573 4.480 -0.000 0.000 0.265 237 M C 1.861 178.349 176.300 0.313 0.000 1.122 237 M CA 1.221 56.798 55.300 0.461 0.000 1.157 237 M CB -0.117 32.629 32.600 0.244 0.000 1.352 237 M HN -0.158 nan 8.290 nan 0.000 0.464 238 A N 1.126 124.038 122.820 0.154 0.000 2.024 238 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 238 A C 1.389 179.144 177.584 0.285 0.000 1.164 238 A CA 1.919 54.041 52.037 0.142 0.000 0.643 238 A CB -0.875 18.009 19.000 -0.193 0.000 0.806 238 A HN 0.752 nan 8.150 nan 0.000 0.451 239 D N -0.276 120.276 120.400 0.254 0.000 2.323 239 D HA 0.047 4.686 4.640 -0.000 0.000 0.239 239 D C 1.026 177.429 176.300 0.173 0.000 1.129 239 D CA 0.131 54.261 54.000 0.216 0.000 0.865 239 D CB -0.401 40.473 40.800 0.123 0.000 0.913 239 D HN 0.481 nan 8.370 nan 0.000 0.517 240 L N -0.179 121.177 121.223 0.222 0.000 2.585 240 L HA 0.300 4.640 4.340 -0.000 0.000 0.226 240 L C 1.233 178.201 176.870 0.164 0.000 1.113 240 L CA -0.303 54.648 54.840 0.184 0.000 0.876 240 L CB 0.264 42.463 42.059 0.232 0.000 1.072 240 L HN 0.039 nan 8.230 nan 0.000 0.468 241 I N 1.073 121.766 120.570 0.206 0.000 2.496 241 I HA 0.030 4.200 4.170 -0.000 0.000 0.285 241 I C 0.081 176.351 176.117 0.256 0.000 1.080 241 I CA 0.011 61.427 61.300 0.194 0.000 1.404 241 I CB 0.373 38.525 38.000 0.253 0.000 1.403 241 I HN 0.200 nan 8.210 nan 0.000 0.539 242 N N 4.960 123.758 118.700 0.164 0.000 2.447 242 N HA 0.196 4.936 4.740 -0.000 0.000 0.271 242 N C -0.911 174.744 175.510 0.241 0.000 1.226 242 N CA -0.482 52.695 53.050 0.211 0.000 0.980 242 N CB 0.619 39.173 38.487 0.111 0.000 1.206 242 N HN 0.600 nan 8.380 nan 0.000 0.558 243 H N -0.924 117.936 119.070 -0.349 0.000 2.481 243 H HA 0.437 4.993 4.556 -0.000 0.000 0.339 243 H C -0.910 174.154 175.328 -0.439 0.000 1.131 243 H CA -0.070 55.605 56.048 -0.622 0.000 1.301 243 H CB 0.759 29.684 29.762 -1.394 0.000 1.476 243 H HN 0.305 nan 8.280 nan 0.000 0.529 244 S N 2.969 117.962 115.700 -1.178 0.000 2.603 244 S HA 0.462 4.932 4.470 -0.000 0.000 0.274 244 S C 0.569 174.656 174.600 -0.856 0.000 1.168 244 S CA -0.118 57.437 58.200 -1.076 0.000 0.963 244 S CB 0.670 63.095 63.200 -1.292 0.000 1.078 244 S HN 0.955 nan 8.310 nan 0.000 0.477 245 A N 3.546 126.018 122.820 -0.580 0.000 2.186 245 A HA 0.111 4.431 4.320 -0.000 0.000 0.219 245 A C 1.926 179.380 177.584 -0.216 0.000 1.159 245 A CA 1.731 53.607 52.037 -0.270 0.000 0.680 245 A CB -0.973 17.957 19.000 -0.117 0.000 0.787 245 A HN 1.170 nan 8.150 nan 0.000 0.467 246 G N -0.969 107.663 108.800 -0.280 0.000 2.559 246 G HA2 0.197 4.157 3.960 -0.000 0.000 0.216 246 G HA3 0.197 4.157 3.960 -0.000 0.000 0.216 246 G C 0.432 175.261 174.900 -0.118 0.000 1.126 246 G CA 0.775 45.768 45.100 -0.179 0.000 0.778 246 G HN 0.304 nan 8.290 nan 0.000 0.543 247 V N 1.684 121.516 119.914 -0.136 0.000 2.364 247 V HA 0.376 4.496 4.120 -0.000 0.000 0.272 247 V C 0.541 176.619 176.094 -0.026 0.000 1.036 247 V CA -0.004 62.262 62.300 -0.055 0.000 0.880 247 V CB 1.135 32.940 31.823 -0.030 0.000 0.991 247 V HN 0.263 nan 8.190 nan 0.000 0.460 248 T N -0.338 114.212 114.554 -0.006 0.000 3.327 248 T HA 0.280 4.630 4.350 -0.000 0.000 0.244 248 T C 0.721 175.432 174.700 0.018 0.000 1.074 248 T CA 0.272 62.377 62.100 0.007 0.000 1.156 248 T CB 0.190 69.056 68.868 -0.003 0.000 1.087 248 T HN 0.772 nan 8.240 nan 0.000 0.575 249 T N -1.412 113.162 114.554 0.033 0.000 3.417 249 T HA 0.180 4.530 4.350 -0.000 0.000 0.279 249 T C 0.774 175.504 174.700 0.050 0.000 0.918 249 T CA 0.473 62.590 62.100 0.028 0.000 1.005 249 T CB -0.472 68.405 68.868 0.015 0.000 1.212 249 T HN 0.625 nan 8.240 nan 0.000 0.510 250 E N 1.800 122.051 120.200 0.085 0.000 2.403 250 E HA -0.236 4.114 4.350 -0.000 0.000 0.241 250 E C -1.117 175.568 176.600 0.141 0.000 1.201 250 E CA 1.010 57.493 56.400 0.139 0.000 0.721 250 E CB -2.403 27.395 29.700 0.164 0.000 1.245 250 E HN 0.482 nan 8.360 nan 0.000 0.392 251 D N 1.145 121.570 120.400 0.042 0.000 2.856 251 D HA 0.079 4.719 4.640 -0.000 0.000 0.242 251 D C -0.397 175.836 176.300 -0.113 0.000 1.226 251 D CA 0.628 54.570 54.000 -0.097 0.000 0.855 251 D CB -0.906 39.828 40.800 -0.109 0.000 1.065 251 D HN 0.532 nan 8.370 nan 0.000 0.462 252 H N -0.875 118.111 119.070 -0.140 0.000 3.481 252 H HA -0.162 4.394 4.556 -0.000 0.000 0.291 252 H C 0.568 175.739 175.328 -0.261 0.000 0.790 252 H CA 0.002 55.842 56.048 -0.346 0.000 0.877 252 H CB -0.308 29.155 29.762 -0.499 0.000 1.460 252 H HN 0.292 nan 8.280 nan 0.000 0.317 253 A N 3.471 126.285 122.820 -0.011 0.000 2.278 253 A HA 0.151 4.471 4.320 -0.000 0.000 0.212 253 A C 0.171 177.789 177.584 0.057 0.000 1.213 253 A CA 0.708 52.783 52.037 0.064 0.000 0.840 253 A CB -0.149 18.954 19.000 0.171 0.000 0.866 253 A HN 0.541 nan 8.150 nan 0.000 0.489 254 Y N -1.602 118.672 120.300 -0.044 0.000 2.512 254 Y HA 0.726 5.276 4.550 -0.000 0.000 0.348 254 Y C -0.704 174.990 175.900 -0.344 0.000 0.990 254 Y CA -1.532 56.377 58.100 -0.318 0.000 1.033 254 Y CB 0.904 39.023 38.460 -0.568 0.000 1.259 254 Y HN 0.337 nan 8.280 nan 0.000 0.461 255 E N 0.841 120.893 120.200 -0.247 0.000 2.454 255 E HA 0.702 5.052 4.350 -0.000 0.000 0.279 255 E C -2.109 174.389 176.600 -0.169 0.000 1.029 255 E CA -1.305 55.004 56.400 -0.152 0.000 0.831 255 E CB 2.344 31.992 29.700 -0.086 0.000 1.405 255 E HN 0.492 nan 8.360 nan 0.000 0.463 256 V N 1.564 121.475 119.914 -0.005 0.000 2.347 256 V HA 0.375 4.495 4.120 -0.000 0.000 0.280 256 V C -0.477 175.693 176.094 0.127 0.000 1.021 256 V CA -0.529 61.846 62.300 0.125 0.000 0.847 256 V CB 0.752 32.728 31.823 0.255 0.000 0.990 256 V HN 0.676 nan 8.190 nan 0.000 0.444 257 K N 3.545 123.995 120.400 0.084 0.000 2.324 257 K HA 0.866 5.186 4.320 -0.000 0.000 0.253 257 K C 0.013 176.517 176.600 -0.160 0.000 0.932 257 K CA -0.583 55.699 56.287 -0.008 0.000 0.799 257 K CB 2.295 34.772 32.500 -0.039 0.000 1.154 257 K HN 0.624 nan 8.250 nan 0.000 0.425 258 G N 0.713 109.263 108.800 -0.417 0.000 2.521 258 G HA2 0.764 4.724 3.960 -0.000 0.000 0.323 258 G HA3 0.764 4.724 3.960 -0.000 0.000 0.323 258 G C -1.144 173.453 174.900 -0.506 0.000 1.211 258 G CA -0.610 43.901 45.100 -0.983 0.000 0.979 258 G HN 0.858 nan 8.290 nan 0.000 0.490 259 A N -1.653 120.883 122.820 -0.473 0.000 2.529 259 A HA 0.986 5.306 4.320 -0.000 0.000 0.296 259 A C 0.707 178.177 177.584 -0.190 0.000 1.205 259 A CA 0.483 52.374 52.037 -0.243 0.000 0.671 259 A CB 0.483 19.393 19.000 -0.151 0.000 1.301 259 A HN 2.675 nan 8.150 nan 0.000 0.450 260 A N -1.006 121.755 122.820 -0.097 0.000 5.476 260 A HA -0.053 4.267 4.320 -0.000 0.000 0.327 260 A C 1.908 179.437 177.584 -0.091 0.000 1.778 260 A CA 2.387 54.402 52.037 -0.038 0.000 0.721 260 A CB -1.762 17.271 19.000 0.055 0.000 1.388 260 A HN 2.714 nan 8.150 nan 0.000 0.397 261 G N -1.891 106.877 108.800 -0.054 0.000 2.882 261 G HA2 0.419 4.379 3.960 -0.000 0.000 0.206 261 G HA3 0.419 4.379 3.960 -0.000 0.000 0.206 261 G C 0.615 175.112 174.900 -0.671 0.000 1.155 261 G CA 0.822 45.735 45.100 -0.312 0.000 0.800 261 G HN 1.645 nan 8.290 nan 0.000 0.524 262 L N -0.937 120.038 121.223 -0.413 0.000 3.634 262 L HA -0.147 4.193 4.340 -0.000 0.000 0.423 262 L C -0.026 176.654 176.870 -0.316 0.000 1.253 262 L CA 0.308 54.955 54.840 -0.320 0.000 0.885 262 L CB -2.925 39.011 42.059 -0.206 0.000 1.789 262 L HN 0.220 nan 8.230 nan 0.000 0.904 263 F N -0.635 119.110 119.950 -0.341 0.000 2.371 263 F HA 0.269 4.796 4.527 -0.000 0.000 0.329 263 F C 2.031 177.391 175.800 -0.733 0.000 1.107 263 F CA 0.882 58.413 58.000 -0.781 0.000 1.137 263 F CB 1.158 39.162 39.000 -1.659 0.000 1.214 263 F HN 0.090 nan 8.300 nan 0.000 0.536 264 S N 2.822 118.249 115.700 -0.456 0.000 2.406 264 S HA -0.303 4.167 4.470 -0.000 0.000 0.242 264 S C 1.830 176.377 174.600 -0.088 0.000 1.079 264 S CA 2.621 60.684 58.200 -0.228 0.000 1.133 264 S CB -0.641 62.519 63.200 -0.066 0.000 1.005 264 S HN 0.760 nan 8.310 nan 0.000 0.443 265 W N 1.080 122.460 121.300 0.133 0.000 2.800 265 W HA 0.333 4.993 4.660 0.000 0.000 0.249 265 W C 1.194 177.753 176.519 0.066 0.000 1.294 265 W CA 0.455 57.826 57.345 0.043 0.000 1.402 265 W CB -0.487 28.974 29.460 0.003 0.000 1.126 265 W HN 0.147 nan 8.180 nan 0.000 0.652 266 D N -0.179 120.154 120.400 -0.112 0.000 2.363 266 D HA -0.079 4.561 4.640 -0.000 0.000 0.220 266 D C -0.262 175.982 176.300 -0.093 0.000 0.994 266 D CA 0.594 54.571 54.000 -0.039 0.000 0.890 266 D CB -0.303 40.409 40.800 -0.147 0.000 0.906 266 D HN 0.143 nan 8.370 nan 0.000 0.530 267 Y N 0.677 120.918 120.300 -0.097 0.000 2.319 267 Y HA 0.290 4.840 4.550 -0.000 0.000 0.328 267 Y C 0.441 176.337 175.900 -0.007 0.000 1.133 267 Y CA -0.705 57.371 58.100 -0.040 0.000 1.265 267 Y CB 0.641 39.080 38.460 -0.034 0.000 1.218 267 Y HN -0.212 nan 8.280 nan 0.000 0.508 268 L N 0.851 122.215 121.223 0.235 0.000 2.359 268 L HA 0.552 4.892 4.340 -0.000 0.000 0.256 268 L C -1.194 176.020 176.870 0.573 0.000 1.026 268 L CA -1.458 53.624 54.840 0.404 0.000 0.828 268 L CB 0.728 42.928 42.059 0.235 0.000 1.406 268 L HN 0.356 nan 8.230 nan 0.000 0.413 269 F N 0.934 121.251 119.950 0.612 0.000 2.438 269 F HA 0.557 5.084 4.527 -0.000 0.000 0.360 269 F C 0.614 176.441 175.800 0.045 0.000 1.118 269 F CA 0.478 58.534 58.000 0.095 0.000 1.164 269 F CB 0.744 39.502 39.000 -0.404 0.000 1.131 269 F HN 0.596 nan 8.300 nan 0.000 0.527 270 S N 6.861 122.426 115.700 -0.225 0.000 2.429 270 S HA 0.577 5.047 4.470 -0.000 0.000 0.302 270 S C -1.166 173.307 174.600 -0.210 0.000 1.115 270 S CA -0.695 57.434 58.200 -0.118 0.000 1.095 270 S CB 0.580 63.739 63.200 -0.069 0.000 0.987 270 S HN 0.630 nan 8.310 nan 0.000 0.474 271 L N 7.028 128.233 121.223 -0.029 0.000 2.343 271 L HA 0.636 4.976 4.340 -0.000 0.000 0.278 271 L C -0.588 176.327 176.870 0.075 0.000 0.996 271 L CA -0.277 54.591 54.840 0.046 0.000 0.831 271 L CB 1.160 43.327 42.059 0.181 0.000 1.232 271 L HN 0.693 nan 8.230 nan 0.000 0.413 272 K N 2.033 122.475 120.400 0.069 0.000 2.221 272 K HA 0.644 4.964 4.320 -0.000 0.000 0.243 272 K C -0.564 176.089 176.600 0.090 0.000 0.968 272 K CA -0.712 55.614 56.287 0.065 0.000 0.846 272 K CB 1.694 34.215 32.500 0.034 0.000 1.141 272 K HN 0.424 nan 8.250 nan 0.000 0.434 273 S N 2.079 117.826 115.700 0.079 0.000 2.422 273 S HA 0.164 4.634 4.470 -0.000 0.000 0.283 273 S C -1.365 173.279 174.600 0.072 0.000 1.163 273 S CA -1.799 56.452 58.200 0.085 0.000 1.054 273 S CB 0.466 63.710 63.200 0.072 0.000 0.967 273 S HN 0.576 nan 8.310 nan 0.000 0.499 274 P HA -0.034 nan 4.420 nan 0.000 0.220 274 P C 0.092 177.422 177.300 0.051 0.000 1.148 274 P CA 0.843 63.981 63.100 0.064 0.000 0.803 274 P CB 0.202 31.951 31.700 0.080 0.000 0.782 275 L N -1.544 119.715 121.223 0.060 0.000 2.286 275 L HA 0.414 4.754 4.340 -0.000 0.000 0.265 275 L C 0.585 177.482 176.870 0.046 0.000 1.012 275 L CA -1.097 53.772 54.840 0.048 0.000 0.818 275 L CB 1.796 43.886 42.059 0.053 0.000 1.337 275 L HN -0.255 nan 8.230 nan 0.000 0.438 276 S N 0.340 116.061 115.700 0.036 0.000 2.489 276 S HA 0.563 5.033 4.470 -0.000 0.000 0.277 276 S C -0.633 173.989 174.600 0.037 0.000 1.230 276 S CA -0.471 57.748 58.200 0.032 0.000 1.053 276 S CB 0.527 63.741 63.200 0.023 0.000 0.955 276 S HN 0.288 nan 8.310 nan 0.000 0.488 277 V N 5.564 125.500 119.914 0.036 0.000 2.823 277 V HA 0.518 4.638 4.120 -0.000 0.000 0.312 277 V C -0.239 175.871 176.094 0.027 0.000 1.072 277 V CA -0.965 61.357 62.300 0.036 0.000 0.937 277 V CB 2.243 34.089 31.823 0.038 0.000 1.013 277 V HN 0.790 nan 8.190 nan 0.000 0.430 278 K N 1.776 122.190 120.400 0.024 0.000 2.123 278 K HA 0.738 5.058 4.320 -0.000 0.000 0.259 278 K C 0.049 176.658 176.600 0.014 0.000 0.960 278 K CA -0.456 55.842 56.287 0.018 0.000 0.872 278 K CB 1.669 34.178 32.500 0.016 0.000 1.079 278 K HN 0.892 nan 8.250 nan 0.000 0.440 279 A N 1.264 124.091 122.820 0.013 0.000 2.580 279 A HA 0.270 4.590 4.320 -0.000 0.000 0.244 279 A C 1.198 178.785 177.584 0.005 0.000 1.045 279 A CA 1.333 53.376 52.037 0.010 0.000 0.761 279 A CB -1.018 17.988 19.000 0.011 0.000 0.962 279 A HN 0.965 nan 8.150 nan 0.000 0.512 280 G N 1.887 110.686 108.800 -0.002 0.000 2.254 280 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.225 280 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.225 280 G C 0.097 174.990 174.900 -0.012 0.000 1.003 280 G CA 0.358 45.453 45.100 -0.008 0.000 0.622 280 G HN 0.880 nan 8.290 nan 0.000 0.507 281 E N 0.772 120.969 120.200 -0.005 0.000 2.349 281 E HA 0.477 4.827 4.350 -0.000 0.000 0.262 281 E C 0.334 176.912 176.600 -0.037 0.000 1.088 281 E CA -0.477 55.922 56.400 -0.002 0.000 0.899 281 E CB 0.850 30.564 29.700 0.024 0.000 1.044 281 E HN 0.457 nan 8.360 nan 0.000 0.420 282 Q N 0.954 120.708 119.800 -0.076 0.000 2.340 282 Q HA 0.207 4.547 4.340 -0.000 0.000 0.249 282 Q C -1.174 174.658 176.000 -0.280 0.000 0.957 282 Q CA -0.419 55.234 55.803 -0.250 0.000 0.882 282 Q CB 0.986 29.438 28.738 -0.477 0.000 1.235 282 Q HN 0.279 nan 8.270 nan 0.000 0.439 283 V N 4.798 124.536 119.914 -0.293 0.000 2.370 283 V HA 0.333 4.453 4.120 -0.000 0.000 0.279 283 V C -0.916 175.045 176.094 -0.223 0.000 1.029 283 V CA -0.395 61.821 62.300 -0.139 0.000 0.870 283 V CB 0.217 32.028 31.823 -0.021 0.000 0.984 283 V HN 0.697 nan 8.190 nan 0.000 0.451 284 Y N 4.864 125.182 120.300 0.029 0.000 2.675 284 Y HA 0.821 5.371 4.550 -0.000 0.000 0.328 284 Y C 0.341 176.280 175.900 0.065 0.000 1.092 284 Y CA -0.955 57.157 58.100 0.020 0.000 1.190 284 Y CB 1.860 40.273 38.460 -0.079 0.000 1.350 284 Y HN 0.628 nan 8.280 nan 0.000 0.525 285 I N -1.386 119.360 120.570 0.294 0.000 3.279 285 I HA 0.600 4.770 4.170 -0.000 0.000 0.315 285 I C -1.626 174.626 176.117 0.225 0.000 1.225 285 I CA -1.443 60.016 61.300 0.264 0.000 0.947 285 I CB 2.268 40.488 38.000 0.366 0.000 1.293 285 I HN 0.407 nan 8.210 nan 0.000 0.468 286 Q N 1.253 121.208 119.800 0.259 0.000 2.372 286 Q HA 0.426 4.766 4.340 -0.000 0.000 0.259 286 Q C -0.726 175.580 176.000 0.512 0.000 0.993 286 Q CA -0.264 55.721 55.803 0.303 0.000 0.854 286 Q CB 0.838 29.688 28.738 0.185 0.000 1.231 286 Q HN 0.732 nan 8.270 nan 0.000 0.462 287 Y N 1.859 122.394 120.300 0.392 0.000 2.097 287 Y HA -0.110 4.440 4.550 -0.000 0.000 0.282 287 Y C 0.601 176.580 175.900 0.132 0.000 1.152 287 Y CA 0.750 58.941 58.100 0.151 0.000 1.136 287 Y CB 0.662 39.043 38.460 -0.132 0.000 0.975 287 Y HN 0.537 nan 8.280 nan 0.000 0.498 288 D N -1.497 119.084 120.400 0.302 0.000 2.614 288 D HA 0.121 4.761 4.640 -0.000 0.000 0.203 288 D C -0.225 176.172 176.300 0.162 0.000 1.312 288 D CA -0.127 53.992 54.000 0.198 0.000 0.889 288 D CB 0.973 41.876 40.800 0.171 0.000 1.615 288 D HN 0.049 nan 8.370 nan 0.000 0.567 289 L N 2.430 123.734 121.223 0.134 0.000 2.291 289 L HA 0.030 4.370 4.340 -0.000 0.000 0.214 289 L C 1.646 178.544 176.870 0.046 0.000 1.120 289 L CA 0.556 55.454 54.840 0.096 0.000 0.799 289 L CB -0.017 42.084 42.059 0.070 0.000 0.925 289 L HN 0.288 nan 8.230 nan 0.000 0.446 290 N N -0.174 118.549 118.700 0.039 0.000 2.336 290 N HA 0.035 4.775 4.740 -0.000 0.000 0.189 290 N C 0.223 175.773 175.510 0.066 0.000 1.113 290 N CA 0.300 53.342 53.050 -0.013 0.000 0.858 290 N CB 0.396 38.875 38.487 -0.015 0.000 0.970 290 N HN 0.315 nan 8.380 nan 0.000 0.471 291 K N 1.367 121.837 120.400 0.117 0.000 2.185 291 K HA 0.161 4.481 4.320 -0.000 0.000 0.271 291 K C 0.694 177.445 176.600 0.252 0.000 1.013 291 K CA -0.238 56.146 56.287 0.162 0.000 0.943 291 K CB 1.012 33.569 32.500 0.096 0.000 0.998 291 K HN 0.045 nan 8.250 nan 0.000 0.468 292 S N 1.259 117.120 115.700 0.269 0.000 2.645 292 S HA 0.122 4.592 4.470 -0.000 0.000 0.266 292 S C 0.922 175.560 174.600 0.063 0.000 1.258 292 S CA -0.692 57.628 58.200 0.200 0.000 0.990 292 S CB 0.871 64.019 63.200 -0.087 0.000 0.967 292 S HN 0.525 nan 8.310 nan 0.000 0.556 293 N N 0.967 119.695 118.700 0.046 0.000 2.166 293 N HA -0.085 4.655 4.740 -0.000 0.000 0.186 293 N C 2.000 177.485 175.510 -0.042 0.000 1.019 293 N CA 1.450 54.506 53.050 0.010 0.000 0.856 293 N CB -1.093 37.436 38.487 0.070 0.000 0.993 293 N HN 0.808 nan 8.380 nan 0.000 0.426 294 A N 1.219 124.008 122.820 -0.051 0.000 1.908 294 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 294 A C 2.140 179.632 177.584 -0.152 0.000 1.181 294 A CA 1.529 53.502 52.037 -0.108 0.000 0.627 294 A CB -0.507 18.414 19.000 -0.131 0.000 0.818 294 A HN 0.359 nan 8.150 nan 0.000 0.445 295 E N -0.281 119.842 120.200 -0.130 0.000 2.028 295 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 295 E C 1.973 178.452 176.600 -0.202 0.000 0.988 295 E CA 1.212 57.519 56.400 -0.156 0.000 0.799 295 E CB -0.286 29.360 29.700 -0.089 0.000 0.755 295 E HN 0.637 nan 8.360 nan 0.000 0.447 296 L N 0.558 121.679 121.223 -0.171 0.000 2.079 296 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 296 L C 2.558 179.222 176.870 -0.343 0.000 1.081 296 L CA 0.992 55.673 54.840 -0.265 0.000 0.752 296 L CB -0.560 41.244 42.059 -0.424 0.000 0.896 296 L HN 0.165 nan 8.230 nan 0.000 0.433 297 A N 0.063 122.734 122.820 -0.248 0.000 1.877 297 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 297 A C 2.220 179.660 177.584 -0.240 0.000 1.186 297 A CA 1.774 53.697 52.037 -0.190 0.000 0.620 297 A CB -0.641 18.273 19.000 -0.142 0.000 0.822 297 A HN 0.310 nan 8.150 nan 0.000 0.443 298 L N -0.241 120.808 121.223 -0.291 0.000 2.072 298 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 298 L C 1.576 178.215 176.870 -0.384 0.000 1.079 298 L CA 2.341 56.982 54.840 -0.332 0.000 0.752 298 L CB -0.543 41.330 42.059 -0.309 0.000 0.906 298 L HN 0.318 nan 8.230 nan 0.000 0.436 299 D N -1.744 118.360 120.400 -0.493 0.000 2.123 299 D HA -0.078 4.562 4.640 -0.000 0.000 0.200 299 D C 0.218 176.013 176.300 -0.843 0.000 0.976 299 D CA 1.317 54.850 54.000 -0.777 0.000 0.831 299 D CB -0.023 40.122 40.800 -1.091 0.000 0.974 299 D HN 0.323 nan 8.370 nan 0.000 0.469 300 Y N -1.192 118.991 120.300 -0.195 0.000 2.686 300 Y HA 0.585 5.135 4.550 -0.000 0.000 0.330 300 Y C 1.329 177.194 175.900 -0.058 0.000 1.082 300 Y CA -1.366 56.690 58.100 -0.073 0.000 1.158 300 Y CB 1.246 39.697 38.460 -0.014 0.000 1.333 300 Y HN -0.248 nan 8.280 nan 0.000 0.519 301 G N 0.771 109.768 108.800 0.329 0.000 4.178 301 G HA2 0.454 4.414 3.960 -0.000 0.000 0.287 301 G HA3 0.454 4.414 3.960 -0.000 0.000 0.287 301 G C -1.074 174.052 174.900 0.378 0.000 1.293 301 G CA -0.021 45.258 45.100 0.298 0.000 1.393 301 G HN 0.460 nan 8.290 nan 0.000 0.623 302 F N -0.812 119.242 119.950 0.172 0.000 2.807 302 F HA 0.749 5.276 4.527 -0.000 0.000 0.316 302 F C -1.293 174.565 175.800 0.097 0.000 1.162 302 F CA -2.147 55.928 58.000 0.126 0.000 0.910 302 F CB 1.022 40.072 39.000 0.084 0.000 1.314 302 F HN 0.155 nan 8.300 nan 0.000 0.454 303 I N -1.556 119.186 120.570 0.286 0.000 3.264 303 I HA 0.746 4.916 4.170 -0.000 0.000 0.315 303 I C -1.424 174.855 176.117 0.271 0.000 1.154 303 I CA -1.067 60.328 61.300 0.159 0.000 0.962 303 I CB 2.565 40.632 38.000 0.112 0.000 1.265 303 I HN 0.735 nan 8.210 nan 0.000 0.463 304 E N 1.550 121.844 120.200 0.157 0.000 2.235 304 E HA 0.378 4.728 4.350 -0.000 0.000 0.265 304 E C -2.161 174.459 176.600 0.033 0.000 0.940 304 E CA -1.673 54.799 56.400 0.120 0.000 0.819 304 E CB 2.103 31.874 29.700 0.118 0.000 1.206 304 E HN 0.459 nan 8.360 nan 0.000 0.409 305 P HA -0.075 nan 4.420 nan 0.000 0.225 305 P C 0.067 177.339 177.300 -0.047 0.000 1.156 305 P CA 0.497 63.598 63.100 0.002 0.000 0.787 305 P CB 0.166 31.874 31.700 0.013 0.000 0.802 306 N N 1.450 120.121 118.700 -0.048 0.000 2.418 306 N HA -0.103 4.637 4.740 -0.000 0.000 0.277 306 N C 1.118 176.533 175.510 -0.158 0.000 1.317 306 N CA 0.333 53.352 53.050 -0.051 0.000 0.922 306 N CB 0.131 38.614 38.487 -0.006 0.000 1.194 306 N HN 0.296 nan 8.380 nan 0.000 0.485 307 E N 2.449 122.586 120.200 -0.106 0.000 2.401 307 E HA -0.209 4.141 4.350 -0.000 0.000 0.199 307 E C 0.124 176.759 176.600 0.058 0.000 1.023 307 E CA 0.826 57.146 56.400 -0.134 0.000 0.859 307 E CB -0.086 29.648 29.700 0.056 0.000 0.780 307 E HN 0.464 nan 8.360 nan 0.000 0.523 308 N N 0.619 119.389 118.700 0.116 0.000 2.521 308 N HA 0.001 4.741 4.740 -0.000 0.000 0.188 308 N C 1.152 176.819 175.510 0.261 0.000 1.146 308 N CA 0.287 53.472 53.050 0.226 0.000 0.893 308 N CB 0.088 38.665 38.487 0.149 0.000 0.975 308 N HN 0.200 nan 8.380 nan 0.000 0.451 309 R N 0.170 120.734 120.500 0.107 0.000 2.276 309 R HA 0.087 4.427 4.340 -0.000 0.000 0.196 309 R C -0.036 176.372 176.300 0.180 0.000 0.961 309 R CA 0.025 56.229 56.100 0.173 0.000 1.024 309 R CB -0.184 30.132 30.300 0.028 0.000 0.940 309 R HN 0.467 nan 8.270 nan 0.000 0.480 310 H N 0.083 119.250 119.070 0.161 0.000 2.929 310 H HA 0.302 4.858 4.556 -0.000 0.000 0.317 310 H C 0.069 175.358 175.328 -0.066 0.000 1.031 310 H CA -0.102 55.968 56.048 0.037 0.000 1.466 310 H CB 0.878 30.637 29.762 -0.004 0.000 1.482 310 H HN 0.172 nan 8.280 nan 0.000 0.561 311 A N 3.483 126.237 122.820 -0.111 0.000 2.594 311 A HA 0.552 4.872 4.320 -0.000 0.000 0.291 311 A C -2.076 175.438 177.584 -0.117 0.000 1.105 311 A CA -0.603 51.197 52.037 -0.395 0.000 0.694 311 A CB 1.468 19.664 19.000 -1.341 0.000 1.291 311 A HN 0.663 nan 8.150 nan 0.000 0.410 312 Y N -0.025 120.171 120.300 -0.173 0.000 2.441 312 Y HA 0.578 5.128 4.550 -0.000 0.000 0.334 312 Y C -0.040 175.843 175.900 -0.028 0.000 1.061 312 Y CA 0.065 58.125 58.100 -0.067 0.000 1.032 312 Y CB 2.198 40.654 38.460 -0.006 0.000 1.266 312 Y HN 0.894 nan 8.280 nan 0.000 0.441 313 T N 6.545 120.949 114.554 -0.250 0.000 2.829 313 T HA 0.628 4.978 4.350 -0.000 0.000 0.282 313 T C -1.069 173.687 174.700 0.095 0.000 0.990 313 T CA -0.521 61.571 62.100 -0.014 0.000 1.028 313 T CB 0.273 69.116 68.868 -0.041 0.000 0.951 313 T HN 0.593 nan 8.240 nan 0.000 0.460 314 L N 3.823 125.182 121.223 0.228 0.000 2.322 314 L HA 0.532 4.872 4.340 -0.000 0.000 0.279 314 L C 0.675 177.659 176.870 0.189 0.000 1.036 314 L CA -0.966 54.007 54.840 0.222 0.000 0.807 314 L CB 1.872 44.050 42.059 0.199 0.000 1.226 314 L HN 0.676 nan 8.230 nan 0.000 0.433 315 T N 4.155 118.769 114.554 0.100 0.000 2.770 315 T HA 0.610 4.960 4.350 -0.000 0.000 0.283 315 T C -0.662 173.989 174.700 -0.081 0.000 0.988 315 T CA -0.412 61.647 62.100 -0.068 0.000 0.957 315 T CB 0.406 69.226 68.868 -0.080 0.000 0.930 315 T HN 0.353 nan 8.240 nan 0.000 0.443 316 L N 4.843 125.973 121.223 -0.154 0.000 2.334 316 L HA 0.748 5.088 4.340 -0.000 0.000 0.276 316 L C -0.226 176.579 176.870 -0.109 0.000 1.014 316 L CA -0.822 53.959 54.840 -0.098 0.000 0.815 316 L CB 1.810 43.784 42.059 -0.142 0.000 1.268 316 L HN 0.801 nan 8.230 nan 0.000 0.428 317 E N 2.763 123.028 120.200 0.108 0.000 2.363 317 E HA 0.379 4.729 4.350 -0.000 0.000 0.281 317 E C -1.452 175.301 176.600 0.255 0.000 0.953 317 E CA -0.804 55.706 56.400 0.184 0.000 0.778 317 E CB 1.776 31.517 29.700 0.068 0.000 1.220 317 E HN 0.435 nan 8.360 nan 0.000 0.431 318 I N 2.559 123.300 120.570 0.285 0.000 2.363 318 I HA 0.109 4.279 4.170 -0.000 0.000 0.292 318 I C 0.491 176.810 176.117 0.337 0.000 1.075 318 I CA -0.269 61.174 61.300 0.239 0.000 1.333 318 I CB 1.026 39.095 38.000 0.115 0.000 1.415 318 I HN 0.497 nan 8.210 nan 0.000 0.502 319 S N 4.652 120.508 115.700 0.259 0.000 2.576 319 S HA 0.091 4.561 4.470 -0.000 0.000 0.276 319 S C 1.185 175.909 174.600 0.206 0.000 1.339 319 S CA -0.359 57.953 58.200 0.188 0.000 1.039 319 S CB 0.770 64.028 63.200 0.097 0.000 0.902 319 S HN 0.647 nan 8.310 nan 0.000 0.516 320 E N 1.727 121.852 120.200 -0.125 0.000 2.347 320 E HA -0.068 4.282 4.350 -0.000 0.000 0.196 320 E C 1.608 178.057 176.600 -0.252 0.000 1.008 320 E CA 0.918 56.958 56.400 -0.599 0.000 0.852 320 E CB -0.001 29.297 29.700 -0.672 0.000 0.783 320 E HN 0.756 nan 8.360 nan 0.000 0.505 321 S N 0.608 116.252 115.700 -0.092 0.000 2.603 321 S HA -0.055 4.415 4.470 -0.000 0.000 0.220 321 S C 0.563 175.157 174.600 -0.010 0.000 0.967 321 S CA -0.199 57.969 58.200 -0.054 0.000 0.920 321 S CB 0.100 63.278 63.200 -0.037 0.000 0.773 321 S HN 0.004 nan 8.310 nan 0.000 0.529 322 D N 3.430 123.866 120.400 0.059 0.000 2.325 322 D HA 0.211 4.851 4.640 -0.000 0.000 0.251 322 D C -1.289 175.026 176.300 0.026 0.000 1.196 322 D CA -2.231 51.820 54.000 0.085 0.000 0.866 322 D CB 1.581 42.491 40.800 0.183 0.000 1.101 322 D HN 0.060 nan 8.370 nan 0.000 0.476 323 P HA -0.145 nan 4.420 nan 0.000 0.223 323 P C 0.422 177.383 177.300 -0.565 0.000 1.140 323 P CA 0.953 63.808 63.100 -0.409 0.000 0.783 323 P CB -0.094 31.232 31.700 -0.623 0.000 0.759 324 F N -3.298 116.696 119.950 0.073 0.000 2.735 324 F HA 0.252 4.779 4.527 -0.000 0.000 0.304 324 F C 1.821 177.653 175.800 0.052 0.000 1.119 324 F CA -0.917 57.110 58.000 0.045 0.000 1.280 324 F CB -0.469 38.527 39.000 -0.007 0.000 0.994 324 F HN -0.259 nan 8.300 nan 0.000 0.520 325 F N 2.070 122.072 119.950 0.086 0.000 2.024 325 F HA -0.363 4.164 4.527 -0.000 0.000 0.296 325 F C 2.193 178.032 175.800 0.065 0.000 1.137 325 F CA 2.282 60.319 58.000 0.062 0.000 1.200 325 F CB -0.352 38.663 39.000 0.026 0.000 0.954 325 F HN -0.001 nan 8.300 nan 0.000 0.497 326 D N 0.142 120.575 120.400 0.054 0.000 2.149 326 D HA -0.227 4.413 4.640 -0.000 0.000 0.194 326 D C 1.919 178.151 176.300 -0.113 0.000 1.001 326 D CA 1.893 55.859 54.000 -0.056 0.000 0.849 326 D CB -0.570 40.310 40.800 0.132 0.000 0.939 326 D HN 0.494 nan 8.370 nan 0.000 0.449 327 D N 0.618 121.006 120.400 -0.020 0.000 2.123 327 D HA -0.070 4.570 4.640 -0.000 0.000 0.200 327 D C 2.033 178.286 176.300 -0.079 0.000 0.976 327 D CA 0.686 54.676 54.000 -0.017 0.000 0.831 327 D CB 0.051 40.880 40.800 0.048 0.000 0.974 327 D HN 0.260 nan 8.370 nan 0.000 0.469 328 K N 0.400 120.734 120.400 -0.109 0.000 2.057 328 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 328 K C 2.115 178.591 176.600 -0.207 0.000 1.050 328 K CA 0.319 56.517 56.287 -0.148 0.000 0.935 328 K CB -0.112 32.312 32.500 -0.126 0.000 0.715 328 K HN 0.008 nan 8.250 nan 0.000 0.439 329 L N 1.940 122.953 121.223 -0.349 0.000 2.046 329 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 329 L C 1.758 178.529 176.870 -0.164 0.000 1.077 329 L CA 1.936 56.576 54.840 -0.332 0.000 0.747 329 L CB -0.554 41.145 42.059 -0.601 0.000 0.896 329 L HN 0.098 nan 8.230 nan 0.000 0.432 330 D N -0.890 119.424 120.400 -0.143 0.000 2.087 330 D HA -0.183 4.457 4.640 -0.000 0.000 0.192 330 D C 2.241 178.515 176.300 -0.043 0.000 0.993 330 D CA 1.811 55.770 54.000 -0.069 0.000 0.828 330 D CB -0.183 40.589 40.800 -0.047 0.000 0.968 330 D HN 0.187 nan 8.370 nan 0.000 0.448 331 V N 0.996 120.888 119.914 -0.036 0.000 2.324 331 V HA -0.304 3.816 4.120 -0.000 0.000 0.250 331 V C 2.518 178.625 176.094 0.022 0.000 1.060 331 V CA 2.049 64.358 62.300 0.016 0.000 1.042 331 V CB -0.997 30.844 31.823 0.030 0.000 0.650 331 V HN 0.312 nan 8.190 nan 0.000 0.450 332 A N -0.233 122.583 122.820 -0.007 0.000 1.851 332 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 332 A C 2.168 179.780 177.584 0.046 0.000 1.195 332 A CA 2.047 54.102 52.037 0.031 0.000 0.622 332 A CB -0.609 18.399 19.000 0.013 0.000 0.831 332 A HN 0.633 nan 8.150 nan 0.000 0.444 333 E N 0.037 120.248 120.200 0.019 0.000 2.058 333 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 333 E C 2.104 178.675 176.600 -0.049 0.000 0.997 333 E CA 1.404 57.804 56.400 -0.000 0.000 0.801 333 E CB -0.285 29.411 29.700 -0.007 0.000 0.746 333 E HN 0.524 nan 8.360 nan 0.000 0.450 334 S N 0.773 116.439 115.700 -0.056 0.000 2.528 334 S HA -0.057 4.413 4.470 -0.000 0.000 0.244 334 S C 1.018 175.532 174.600 -0.143 0.000 0.982 334 S CA 0.540 58.696 58.200 -0.074 0.000 0.953 334 S CB -0.079 63.095 63.200 -0.043 0.000 0.754 334 S HN 0.239 nan 8.310 nan 0.000 0.529 335 N N -0.141 118.429 118.700 -0.217 0.000 2.291 335 N HA 0.206 4.946 4.740 -0.000 0.000 0.244 335 N C 0.738 176.043 175.510 -0.343 0.000 1.216 335 N CA 0.521 53.315 53.050 -0.427 0.000 0.879 335 N CB 1.257 39.132 38.487 -1.021 0.000 1.167 335 N HN 0.415 nan 8.380 nan 0.000 0.515 336 G N 0.735 109.383 108.800 -0.253 0.000 2.136 336 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.242 336 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.242 336 G C -0.271 174.281 174.900 -0.580 0.000 0.989 336 G CA -0.007 44.859 45.100 -0.391 0.000 0.682 336 G HN 0.257 nan 8.290 nan 0.000 0.522 337 F N 0.143 120.051 119.950 -0.069 0.000 2.579 337 F HA 0.838 5.365 4.527 -0.000 0.000 0.324 337 F C 0.545 176.391 175.800 0.077 0.000 1.058 337 F CA -0.340 57.699 58.000 0.065 0.000 0.944 337 F CB 1.886 41.061 39.000 0.292 0.000 1.245 337 F HN 0.281 nan 8.300 nan 0.000 0.477 338 A N 0.590 123.584 122.820 0.289 0.000 2.282 338 A HA 0.370 4.690 4.320 -0.000 0.000 0.324 338 A C 0.940 178.669 177.584 0.242 0.000 1.119 338 A CA -0.468 51.679 52.037 0.183 0.000 0.880 338 A CB 1.043 20.102 19.000 0.099 0.000 1.294 338 A HN 0.743 nan 8.150 nan 0.000 0.493 339 Q N -0.350 119.553 119.800 0.171 0.000 2.308 339 Q HA -0.091 4.249 4.340 -0.000 0.000 0.209 339 Q C -0.339 175.778 176.000 0.197 0.000 0.985 339 Q CA 1.718 57.635 55.803 0.191 0.000 0.881 339 Q CB -0.109 28.745 28.738 0.194 0.000 0.917 339 Q HN 0.708 nan 8.270 nan 0.000 0.443 340 T N -0.087 114.531 114.554 0.106 0.000 2.893 340 T HA 0.743 5.093 4.350 -0.000 0.000 0.293 340 T C -1.452 173.130 174.700 -0.196 0.000 1.027 340 T CA -0.166 61.897 62.100 -0.062 0.000 0.988 340 T CB 1.818 70.621 68.868 -0.109 0.000 1.043 340 T HN 0.208 nan 8.240 nan 0.000 0.461 341 A N 2.279 124.811 122.820 -0.480 0.000 2.486 341 A HA 0.805 5.125 4.320 -0.000 0.000 0.300 341 A C -2.093 174.998 177.584 -0.822 0.000 1.048 341 A CA -0.747 50.949 52.037 -0.569 0.000 0.696 341 A CB 1.154 19.810 19.000 -0.573 0.000 1.278 341 A HN 0.769 nan 8.150 nan 0.000 0.405 342 Y N 0.123 120.163 120.300 -0.432 0.000 2.364 342 Y HA 0.671 5.221 4.550 0.000 0.000 0.340 342 Y C -0.803 174.804 175.900 -0.489 0.000 0.975 342 Y CA -0.544 57.376 58.100 -0.300 0.000 1.089 342 Y CB 1.803 40.157 38.460 -0.177 0.000 1.192 342 Y HN 0.528 nan 8.280 nan 0.000 0.454 343 F N 2.369 122.397 119.950 0.129 0.000 2.477 343 F HA 0.338 4.865 4.527 -0.000 0.000 0.335 343 F C -0.360 175.525 175.800 0.141 0.000 1.130 343 F CA -1.199 56.884 58.000 0.137 0.000 0.948 343 F CB 1.237 40.303 39.000 0.109 0.000 1.154 343 F HN 0.406 nan 8.300 nan 0.000 0.439 344 D N 4.928 125.502 120.400 0.290 0.000 2.295 344 D HA 0.341 4.981 4.640 -0.000 0.000 0.248 344 D C -0.064 176.415 176.300 0.298 0.000 1.154 344 D CA 0.169 54.305 54.000 0.226 0.000 0.857 344 D CB 1.692 42.644 40.800 0.253 0.000 1.117 344 D HN 0.359 nan 8.370 nan 0.000 0.468 345 I N 2.896 123.585 120.570 0.198 0.000 2.330 345 I HA 0.247 4.417 4.170 -0.000 0.000 0.289 345 I C -0.204 175.993 176.117 0.134 0.000 1.001 345 I CA -0.661 60.779 61.300 0.233 0.000 1.193 345 I CB 0.630 38.765 38.000 0.225 0.000 1.345 345 I HN 0.050 nan 8.210 nan 0.000 0.461 346 F N 5.043 125.094 119.950 0.169 0.000 2.425 346 F HA 0.314 4.841 4.527 -0.000 0.000 0.331 346 F C 0.215 176.136 175.800 0.202 0.000 1.085 346 F CA -0.500 57.610 58.000 0.183 0.000 1.028 346 F CB 0.912 39.997 39.000 0.141 0.000 1.177 346 F HN 0.297 nan 8.300 nan 0.000 0.487 347 Y N 3.456 123.919 120.300 0.272 0.000 2.610 347 Y HA 0.029 4.579 4.550 -0.000 0.000 0.332 347 Y C 0.935 176.945 175.900 0.182 0.000 1.201 347 Y CA 0.030 58.249 58.100 0.199 0.000 1.465 347 Y CB 0.073 38.659 38.460 0.209 0.000 1.283 347 Y HN 0.725 nan 8.280 nan 0.000 0.563 348 N N 1.774 120.166 118.700 -0.513 0.000 2.753 348 N HA -0.296 4.444 4.740 -0.000 0.000 0.251 348 N C -0.521 174.934 175.510 -0.092 0.000 1.097 348 N CA 1.294 54.125 53.050 -0.365 0.000 0.786 348 N CB -0.793 37.488 38.487 -0.343 0.000 1.137 348 N HN 0.722 nan 8.380 nan 0.000 0.566 349 R N 0.491 120.997 120.500 0.010 0.000 2.664 349 R HA 0.464 4.804 4.340 -0.000 0.000 0.286 349 R C -0.001 176.330 176.300 0.052 0.000 0.967 349 R CA -0.174 55.958 56.100 0.054 0.000 0.933 349 R CB 0.885 31.260 30.300 0.126 0.000 1.146 349 R HN 0.166 nan 8.270 nan 0.000 0.468 350 T N 1.203 115.780 114.554 0.038 0.000 2.900 350 T HA 0.163 4.513 4.350 -0.000 0.000 0.307 350 T C 0.940 175.682 174.700 0.071 0.000 1.065 350 T CA -0.605 61.515 62.100 0.033 0.000 1.105 350 T CB 0.420 69.300 68.868 0.019 0.000 0.979 350 T HN 0.394 nan 8.240 nan 0.000 0.544 351 L N 3.662 124.919 121.223 0.056 0.000 2.559 351 L HA 0.172 4.512 4.340 -0.000 0.000 0.282 351 L C -1.312 175.627 176.870 0.114 0.000 1.232 351 L CA -1.481 53.412 54.840 0.089 0.000 0.885 351 L CB -0.224 41.861 42.059 0.042 0.000 1.131 351 L HN 0.600 nan 8.230 nan 0.000 0.498 352 P HA 0.165 nan 4.420 nan 0.000 0.269 352 P C -2.568 174.861 177.300 0.214 0.000 1.209 352 P CA -1.189 62.049 63.100 0.229 0.000 0.776 352 P CB -0.109 31.803 31.700 0.354 0.000 0.876 353 P HA 0.180 nan 4.420 nan 0.000 0.271 353 P C 1.065 178.605 177.300 0.401 0.000 1.218 353 P CA 0.784 64.034 63.100 0.251 0.000 0.780 353 P CB 0.200 32.049 31.700 0.248 0.000 0.901 354 G N 1.028 110.035 108.800 0.345 0.000 2.317 354 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.227 354 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.227 354 G C 0.772 175.636 174.900 -0.060 0.000 1.042 354 G CA 0.356 45.716 45.100 0.434 0.000 0.623 354 G HN 0.564 nan 8.290 nan 0.000 0.509 355 L N 1.228 122.221 121.223 -0.384 0.000 1.989 355 L HA 0.201 4.541 4.340 -0.000 0.000 0.211 355 L C 2.774 179.376 176.870 -0.446 0.000 1.071 355 L CA 2.750 56.987 54.840 -1.004 0.000 0.749 355 L CB -0.656 41.048 42.059 -0.592 0.000 0.890 355 L HN 0.458 nan 8.230 nan 0.000 0.431 356 L N 0.055 121.154 121.223 -0.207 0.000 1.976 356 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 356 L C -0.117 176.641 176.870 -0.187 0.000 1.071 356 L CA 1.755 56.521 54.840 -0.123 0.000 0.746 356 L CB -2.086 39.920 42.059 -0.089 0.000 0.890 356 L HN 0.281 nan 8.230 nan 0.000 0.432 357 P HA -0.263 nan 4.420 nan 0.000 0.216 357 P C 1.422 178.461 177.300 -0.436 0.000 1.150 357 P CA 1.761 64.552 63.100 -0.515 0.000 0.843 357 P CB -0.131 31.000 31.700 -0.949 0.000 0.787 358 Y N 0.296 120.361 120.300 -0.392 0.000 2.242 358 Y HA -0.095 4.455 4.550 0.000 0.000 0.291 358 Y C 2.592 178.384 175.900 -0.180 0.000 1.137 358 Y CA 0.976 58.935 58.100 -0.236 0.000 1.181 358 Y CB -0.662 37.697 38.460 -0.170 0.000 0.989 358 Y HN -0.246 nan 8.280 nan 0.000 0.527 359 L N -0.418 120.812 121.223 0.012 0.000 2.046 359 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 359 L C 2.469 179.311 176.870 -0.047 0.000 1.077 359 L CA 1.420 56.259 54.840 -0.001 0.000 0.747 359 L CB -0.379 41.662 42.059 -0.031 0.000 0.896 359 L HN 0.161 nan 8.230 nan 0.000 0.432 360 R N -0.580 119.855 120.500 -0.109 0.000 2.075 360 R HA -0.180 4.160 4.340 -0.000 0.000 0.232 360 R C 2.181 178.375 176.300 -0.177 0.000 1.126 360 R CA 1.222 57.237 56.100 -0.140 0.000 0.963 360 R CB -0.454 29.739 30.300 -0.180 0.000 0.858 360 R HN 0.187 nan 8.270 nan 0.000 0.435 361 L N 0.654 121.736 121.223 -0.236 0.000 2.056 361 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 361 L C 2.007 178.773 176.870 -0.173 0.000 1.078 361 L CA 1.487 56.174 54.840 -0.255 0.000 0.749 361 L CB -0.234 41.608 42.059 -0.361 0.000 0.901 361 L HN -0.097 nan 8.230 nan 0.000 0.433 362 V N 0.243 120.088 119.914 -0.114 0.000 2.261 362 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 362 V C 2.550 178.640 176.094 -0.008 0.000 1.047 362 V CA 1.808 64.100 62.300 -0.013 0.000 1.015 362 V CB -1.209 30.663 31.823 0.081 0.000 0.642 362 V HN 0.595 nan 8.190 nan 0.000 0.446 363 A N -0.985 121.819 122.820 -0.028 0.000 2.238 363 A HA 0.092 4.412 4.320 -0.000 0.000 0.208 363 A C 1.757 179.312 177.584 -0.049 0.000 1.177 363 A CA 0.348 52.370 52.037 -0.025 0.000 0.804 363 A CB -0.427 18.555 19.000 -0.030 0.000 0.823 363 A HN 0.396 nan 8.150 nan 0.000 0.482 364 L N 0.012 121.183 121.223 -0.087 0.000 2.120 364 L HA -0.060 4.280 4.340 -0.000 0.000 0.248 364 L C 1.359 178.157 176.870 -0.120 0.000 1.102 364 L CA 2.603 57.353 54.840 -0.150 0.000 0.842 364 L CB -1.002 40.926 42.059 -0.218 0.000 0.940 364 L HN 1.120 nan 8.230 nan 0.000 0.440 365 G N -4.708 104.048 108.800 -0.074 0.000 2.662 365 G HA2 0.073 4.033 3.960 -0.000 0.000 0.686 365 G HA3 0.073 4.033 3.960 -0.000 0.000 0.686 365 G C 0.545 175.420 174.900 -0.042 0.000 1.271 365 G CA -0.172 44.943 45.100 0.025 0.000 0.816 365 G HN 1.025 nan 8.290 nan 0.000 0.608 366 G N -0.661 108.223 108.800 0.139 0.000 2.513 366 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.219 366 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.219 366 G C 1.945 176.862 174.900 0.029 0.000 1.160 366 G CA 2.582 47.763 45.100 0.134 0.000 0.767 366 G HN 1.517 nan 8.290 nan 0.000 0.571 367 T N 0.711 115.276 114.554 0.018 0.000 2.759 367 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 367 T C 1.617 176.374 174.700 0.094 0.000 1.042 367 T CA 1.596 63.718 62.100 0.036 0.000 1.140 367 T CB -0.168 68.704 68.868 0.006 0.000 0.864 367 T HN 0.318 nan 8.240 nan 0.000 0.455 368 D N 0.308 120.675 120.400 -0.054 0.000 2.398 368 D HA 0.333 4.973 4.640 -0.000 0.000 0.210 368 D C 1.970 177.952 176.300 -0.531 0.000 1.094 368 D CA 0.185 54.052 54.000 -0.221 0.000 0.839 368 D CB 0.042 40.656 40.800 -0.310 0.000 0.963 368 D HN 0.337 nan 8.370 nan 0.000 0.506 369 A N 1.263 123.833 122.820 -0.416 0.000 2.084 369 A HA -0.207 4.113 4.320 -0.000 0.000 0.221 369 A C 1.875 179.205 177.584 -0.422 0.000 1.161 369 A CA 0.936 52.589 52.037 -0.640 0.000 0.653 369 A CB -1.225 17.282 19.000 -0.821 0.000 0.802 369 A HN 0.410 nan 8.150 nan 0.000 0.457 370 F N -0.820 118.970 119.950 -0.267 0.000 2.250 370 F HA -0.071 4.456 4.527 0.000 0.000 0.301 370 F C 1.460 177.111 175.800 -0.249 0.000 1.077 370 F CA 1.079 58.979 58.000 -0.167 0.000 1.348 370 F CB -0.707 38.223 39.000 -0.117 0.000 1.040 370 F HN 0.098 nan 8.300 nan 0.000 0.509 371 L N 0.454 120.829 121.223 -1.414 0.000 2.362 371 L HA -0.091 4.249 4.340 -0.000 0.000 0.219 371 L C 2.071 178.654 176.870 -0.478 0.000 1.134 371 L CA 0.576 54.640 54.840 -1.293 0.000 0.807 371 L CB -0.452 40.809 42.059 -1.329 0.000 0.927 371 L HN 0.337 nan 8.230 nan 0.000 0.447 372 L N -1.167 119.858 121.223 -0.331 0.000 2.554 372 L HA 0.025 4.365 4.340 -0.000 0.000 0.226 372 L C 0.994 177.871 176.870 0.010 0.000 1.137 372 L CA -0.085 54.669 54.840 -0.144 0.000 0.863 372 L CB -0.189 41.761 42.059 -0.182 0.000 0.985 372 L HN 0.155 nan 8.230 nan 0.000 0.451 373 E N 0.192 120.452 120.200 0.099 0.000 2.422 373 E HA -0.006 4.344 4.350 -0.000 0.000 0.260 373 E C 1.321 178.006 176.600 0.140 0.000 1.108 373 E CA 0.088 56.580 56.400 0.153 0.000 0.943 373 E CB 0.906 30.741 29.700 0.224 0.000 0.961 373 E HN 0.006 nan 8.360 nan 0.000 0.443 374 S N 1.180 116.927 115.700 0.079 0.000 2.392 374 S HA -0.234 4.236 4.470 -0.000 0.000 0.232 374 S C 1.758 176.364 174.600 0.010 0.000 1.041 374 S CA 1.084 59.309 58.200 0.043 0.000 1.026 374 S CB -0.162 63.053 63.200 0.025 0.000 0.845 374 S HN 0.464 nan 8.310 nan 0.000 0.465 375 L N 0.776 121.975 121.223 -0.041 0.000 2.081 375 L HA -0.013 4.327 4.340 -0.000 0.000 0.212 375 L C 1.262 177.932 176.870 -0.332 0.000 1.080 375 L CA 1.761 56.457 54.840 -0.241 0.000 0.754 375 L CB -0.688 41.117 42.059 -0.423 0.000 0.893 375 L HN 0.301 nan 8.230 nan 0.000 0.433 376 F N -1.402 118.566 119.950 0.030 0.000 2.664 376 F HA 0.275 4.802 4.527 -0.000 0.000 0.303 376 F C 1.393 177.203 175.800 0.017 0.000 1.092 376 F CA -0.381 57.638 58.000 0.031 0.000 1.305 376 F CB -0.160 38.832 39.000 -0.013 0.000 1.054 376 F HN -0.196 nan 8.300 nan 0.000 0.565 377 R N 0.880 121.466 120.500 0.143 0.000 2.845 377 R HA -0.019 4.321 4.340 -0.000 0.000 0.220 377 R C 0.062 176.409 176.300 0.078 0.000 1.528 377 R CA 0.507 56.664 56.100 0.095 0.000 1.374 377 R CB -0.899 29.436 30.300 0.058 0.000 1.104 377 R HN 0.315 nan 8.270 nan 0.000 0.510 378 D N -2.008 118.448 120.400 0.094 0.000 2.480 378 D HA 0.017 4.657 4.640 -0.000 0.000 0.276 378 D C 0.552 176.894 176.300 0.070 0.000 1.294 378 D CA 0.515 54.556 54.000 0.068 0.000 0.829 378 D CB 1.092 41.918 40.800 0.043 0.000 1.242 378 D HN 0.251 nan 8.370 nan 0.000 0.513 379 T N -1.931 112.677 114.554 0.090 0.000 3.046 379 T HA 0.070 4.420 4.350 -0.000 0.000 0.270 379 T C 1.688 176.312 174.700 -0.127 0.000 0.920 379 T CA -0.148 61.935 62.100 -0.029 0.000 0.874 379 T CB 0.266 69.148 68.868 0.024 0.000 1.214 379 T HN -0.057 nan 8.240 nan 0.000 0.536 380 I N 1.213 121.836 120.570 0.088 0.000 2.194 380 I HA -0.040 4.130 4.170 -0.000 0.000 0.246 380 I C 1.993 178.118 176.117 0.014 0.000 1.093 380 I CA 1.287 62.624 61.300 0.062 0.000 1.355 380 I CB -0.461 37.571 38.000 0.053 0.000 1.046 380 I HN 0.515 nan 8.210 nan 0.000 0.413 381 W N 1.070 122.327 121.300 -0.072 0.000 2.388 381 W HA -0.091 4.569 4.660 -0.000 0.000 0.294 381 W C 2.166 178.648 176.519 -0.061 0.000 1.212 381 W CA 1.432 58.744 57.345 -0.055 0.000 1.271 381 W CB -0.603 28.850 29.460 -0.011 0.000 1.126 381 W HN 0.309 nan 8.180 nan 0.000 0.535 382 G N -0.549 108.231 108.800 -0.032 0.000 2.402 382 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.216 382 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.216 382 G C 1.240 176.044 174.900 -0.161 0.000 1.162 382 G CA 1.002 46.036 45.100 -0.111 0.000 0.777 382 G HN 0.275 nan 8.290 nan 0.000 0.539 383 H N 0.427 119.466 119.070 -0.052 0.000 2.357 383 H HA 0.076 4.632 4.556 -0.000 0.000 0.301 383 H C 2.717 177.943 175.328 -0.170 0.000 1.082 383 H CA 0.774 56.782 56.048 -0.067 0.000 1.342 383 H CB -0.443 29.258 29.762 -0.101 0.000 1.389 383 H HN 0.265 nan 8.280 nan 0.000 0.511 384 L N 0.619 121.722 121.223 -0.200 0.000 2.131 384 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 384 L C 2.317 178.963 176.870 -0.374 0.000 1.092 384 L CA 1.141 55.760 54.840 -0.368 0.000 0.759 384 L CB -0.238 41.426 42.059 -0.657 0.000 0.903 384 L HN 0.285 nan 8.230 nan 0.000 0.435 385 E N -0.035 119.943 120.200 -0.370 0.000 2.107 385 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 385 E C 2.228 178.757 176.600 -0.118 0.000 0.982 385 E CA 0.874 57.125 56.400 -0.248 0.000 0.809 385 E CB 0.018 29.614 29.700 -0.173 0.000 0.756 385 E HN 0.490 nan 8.360 nan 0.000 0.459 386 L N 0.379 121.565 121.223 -0.062 0.000 2.341 386 L HA 0.043 4.383 4.340 -0.000 0.000 0.214 386 L C 0.416 177.281 176.870 -0.008 0.000 1.115 386 L CA 0.117 54.948 54.840 -0.015 0.000 0.820 386 L CB -0.069 42.016 42.059 0.045 0.000 0.944 386 L HN 0.076 nan 8.230 nan 0.000 0.452 387 S N -3.357 112.349 115.700 0.010 0.000 2.950 387 S HA -0.077 4.393 4.470 -0.000 0.000 0.813 387 S C -0.080 174.614 174.600 0.157 0.000 0.879 387 S CA -0.313 57.938 58.200 0.084 0.000 1.426 387 S CB -0.553 62.726 63.200 0.131 0.000 1.024 387 S HN -0.203 nan 8.310 nan 0.000 0.237 388 V N 1.316 121.306 119.914 0.126 0.000 2.602 388 V HA 0.562 4.682 4.120 -0.000 0.000 0.235 388 V C 1.216 177.322 176.094 0.020 0.000 1.087 388 V CA 1.363 63.679 62.300 0.026 0.000 1.117 388 V CB -0.077 31.662 31.823 -0.140 0.000 0.820 388 V HN 1.883 nan 8.190 nan 0.000 0.490 389 S N -1.378 114.175 115.700 -0.245 0.000 2.552 389 S HA 0.424 4.894 4.470 -0.000 0.000 0.272 389 S C 0.169 174.089 174.600 -1.133 0.000 1.150 389 S CA -0.461 57.323 58.200 -0.693 0.000 0.849 389 S CB 2.198 65.219 63.200 -0.299 0.000 1.113 389 S HN 0.210 nan 8.310 nan 0.000 0.458 390 R N 0.611 120.236 120.500 -1.458 0.000 2.117 390 R HA -0.146 4.194 4.340 -0.000 0.000 0.243 390 R C 0.876 176.987 176.300 -0.314 0.000 1.143 390 R CA 2.238 57.871 56.100 -0.778 0.000 0.968 390 R CB -0.499 29.605 30.300 -0.327 0.000 0.863 390 R HN 0.779 nan 8.270 nan 0.000 0.444 391 D N -0.233 120.012 120.400 -0.258 0.000 2.178 391 D HA -0.168 4.472 4.640 -0.000 0.000 0.202 391 D C 1.490 177.720 176.300 -0.116 0.000 0.974 391 D CA 0.784 54.703 54.000 -0.136 0.000 0.841 391 D CB -0.287 40.450 40.800 -0.105 0.000 0.953 391 D HN 0.384 nan 8.370 nan 0.000 0.478 392 N N 1.116 119.721 118.700 -0.159 0.000 2.109 392 N HA -0.172 4.567 4.740 -0.000 0.000 0.188 392 N C 1.716 177.185 175.510 -0.068 0.000 1.034 392 N CA 0.944 53.926 53.050 -0.115 0.000 0.846 392 N CB 0.170 38.571 38.487 -0.143 0.000 1.010 392 N HN -0.058 nan 8.380 nan 0.000 0.425 393 E N 1.275 121.437 120.200 -0.064 0.000 2.085 393 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 393 E C 1.799 178.426 176.600 0.045 0.000 0.994 393 E CA 1.277 57.700 56.400 0.038 0.000 0.801 393 E CB -0.216 29.575 29.700 0.151 0.000 0.743 393 E HN 0.435 nan 8.360 nan 0.000 0.453 394 E N -0.227 119.979 120.200 0.010 0.000 2.077 394 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 394 E C 2.161 178.770 176.600 0.015 0.000 0.989 394 E CA 0.952 57.364 56.400 0.020 0.000 0.800 394 E CB -0.180 29.519 29.700 -0.002 0.000 0.746 394 E HN 0.320 nan 8.360 nan 0.000 0.452 395 L N 0.720 121.939 121.223 -0.006 0.000 1.994 395 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 395 L C 2.666 179.530 176.870 -0.010 0.000 1.071 395 L CA 1.386 56.219 54.840 -0.011 0.000 0.745 395 L CB -0.409 41.637 42.059 -0.021 0.000 0.892 395 L HN 0.323 nan 8.230 nan 0.000 0.431 396 L N -2.472 118.749 121.223 -0.003 0.000 2.083 396 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 396 L C 2.482 179.339 176.870 -0.021 0.000 1.083 396 L CA 1.534 56.366 54.840 -0.014 0.000 0.752 396 L CB -1.695 40.371 42.059 0.011 0.000 0.899 396 L HN 0.139 nan 8.230 nan 0.000 0.433 397 C N 0.182 119.523 119.300 0.067 0.000 2.413 397 C HA -0.161 4.299 4.460 -0.000 0.000 0.277 397 C C 2.947 177.940 174.990 0.004 0.000 1.228 397 C CA 1.428 60.522 59.018 0.127 0.000 1.731 397 C CB -0.876 26.970 27.740 0.177 0.000 2.042 397 C HN 0.705 nan 8.230 nan 0.000 0.468 398 K N 0.848 121.250 120.400 0.002 0.000 2.063 398 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 398 K C 2.067 178.636 176.600 -0.051 0.000 1.048 398 K CA 1.613 57.890 56.287 -0.017 0.000 0.928 398 K CB -0.290 32.206 32.500 -0.007 0.000 0.713 398 K HN 0.425 nan 8.250 nan 0.000 0.442 399 A N 0.517 123.297 122.820 -0.067 0.000 1.877 399 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 399 A C 2.247 179.750 177.584 -0.134 0.000 1.186 399 A CA 1.767 53.755 52.037 -0.081 0.000 0.620 399 A CB -0.756 18.202 19.000 -0.071 0.000 0.822 399 A HN 0.167 nan 8.150 nan 0.000 0.443 400 V N 0.232 120.000 119.914 -0.243 0.000 2.287 400 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 400 V C 2.672 178.612 176.094 -0.257 0.000 1.053 400 V CA 2.337 64.406 62.300 -0.385 0.000 1.027 400 V CB -0.851 30.399 31.823 -0.954 0.000 0.646 400 V HN 0.529 nan 8.190 nan 0.000 0.447 401 R N -0.357 120.035 120.500 -0.179 0.000 2.092 401 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 401 R C 2.284 178.547 176.300 -0.061 0.000 1.119 401 R CA 1.169 57.220 56.100 -0.080 0.000 0.970 401 R CB -0.312 29.978 30.300 -0.017 0.000 0.864 401 R HN 0.518 nan 8.270 nan 0.000 0.440 402 E N 0.841 121.006 120.200 -0.059 0.000 2.106 402 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 402 E C 2.010 178.585 176.600 -0.042 0.000 0.984 402 E CA 1.253 57.630 56.400 -0.039 0.000 0.806 402 E CB -0.212 29.468 29.700 -0.032 0.000 0.750 402 E HN 0.314 nan 8.360 nan 0.000 0.458 403 A N 0.977 123.761 122.820 -0.060 0.000 1.877 403 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 403 A C 2.669 180.221 177.584 -0.053 0.000 1.186 403 A CA 1.569 53.577 52.037 -0.048 0.000 0.620 403 A CB -1.010 17.955 19.000 -0.058 0.000 0.822 403 A HN 0.355 nan 8.150 nan 0.000 0.443 404 C N -0.493 118.759 119.300 -0.081 0.000 2.413 404 C HA -0.112 4.348 4.460 -0.000 0.000 0.276 404 C C 2.725 177.684 174.990 -0.051 0.000 1.236 404 C CA 1.388 60.351 59.018 -0.092 0.000 1.735 404 C CB -1.151 26.535 27.740 -0.090 0.000 2.031 404 C HN 0.626 nan 8.230 nan 0.000 0.474 405 K N 0.609 120.989 120.400 -0.032 0.000 2.097 405 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 405 K C 2.349 178.950 176.600 0.002 0.000 1.049 405 K CA 1.570 57.850 56.287 -0.011 0.000 0.933 405 K CB -0.355 32.140 32.500 -0.009 0.000 0.717 405 K HN 0.420 nan 8.250 nan 0.000 0.442 406 S N 0.652 116.350 115.700 -0.005 0.000 2.355 406 S HA -0.128 4.342 4.470 -0.000 0.000 0.222 406 S C 2.110 176.718 174.600 0.012 0.000 1.031 406 S CA 1.195 59.397 58.200 0.002 0.000 0.993 406 S CB -0.218 62.980 63.200 -0.003 0.000 0.859 406 S HN 0.376 nan 8.310 nan 0.000 0.453 407 A N 1.461 124.288 122.820 0.012 0.000 1.908 407 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 407 A C 2.212 179.870 177.584 0.122 0.000 1.181 407 A CA 1.484 53.543 52.037 0.036 0.000 0.627 407 A CB -0.900 18.105 19.000 0.008 0.000 0.818 407 A HN 0.574 nan 8.150 nan 0.000 0.445 408 L N -0.848 120.445 121.223 0.117 0.000 2.127 408 L HA -0.215 4.125 4.340 -0.000 0.000 0.211 408 L C 2.912 179.908 176.870 0.209 0.000 1.089 408 L CA 1.012 55.962 54.840 0.184 0.000 0.757 408 L CB -0.394 41.694 42.059 0.047 0.000 0.899 408 L HN 0.457 nan 8.230 nan 0.000 0.434 409 A N -0.255 122.628 122.820 0.105 0.000 2.168 409 A HA -0.002 4.318 4.320 -0.000 0.000 0.215 409 A C 2.217 179.842 177.584 0.068 0.000 1.152 409 A CA 1.131 53.216 52.037 0.080 0.000 0.716 409 A CB -0.736 18.288 19.000 0.040 0.000 0.794 409 A HN 0.442 nan 8.150 nan 0.000 0.465 410 G N -1.632 107.183 108.800 0.025 0.000 2.650 410 G HA2 0.166 4.126 3.960 -0.000 0.000 0.214 410 G HA3 0.166 4.126 3.960 -0.000 0.000 0.214 410 G C 0.329 175.148 174.900 -0.135 0.000 1.136 410 G CA 0.030 45.074 45.100 -0.094 0.000 0.789 410 G HN 0.463 nan 8.290 nan 0.000 0.536 411 Y N 0.540 120.875 120.300 0.059 0.000 2.299 411 Y HA 0.263 4.813 4.550 -0.000 0.000 0.326 411 Y C 1.628 177.600 175.900 0.119 0.000 1.164 411 Y CA -0.807 57.351 58.100 0.096 0.000 1.234 411 Y CB 0.867 39.352 38.460 0.041 0.000 1.219 411 Y HN 0.297 nan 8.280 nan 0.000 0.497 412 H N -0.343 118.816 119.070 0.148 0.000 2.524 412 H HA 0.214 4.770 4.556 -0.000 0.000 0.280 412 H C -0.472 174.905 175.328 0.082 0.000 1.018 412 H CA 0.496 56.597 56.048 0.089 0.000 1.165 412 H CB -0.263 29.534 29.762 0.058 0.000 1.411 412 H HN 0.583 nan 8.280 nan 0.000 0.569 413 T N -1.561 112.859 114.554 -0.224 0.000 2.843 413 T HA 0.442 4.792 4.350 -0.000 0.000 0.302 413 T C -0.060 174.576 174.700 -0.107 0.000 1.232 413 T CA -0.426 61.531 62.100 -0.239 0.000 1.009 413 T CB 2.312 70.950 68.868 -0.384 0.000 1.254 413 T HN 0.292 nan 8.240 nan 0.000 0.504 414 T N -0.663 113.836 114.554 -0.092 0.000 2.927 414 T HA 0.552 4.902 4.350 -0.000 0.000 0.281 414 T C 1.582 176.223 174.700 -0.099 0.000 0.998 414 T CA -1.084 60.967 62.100 -0.080 0.000 1.019 414 T CB 0.523 69.359 68.868 -0.054 0.000 1.061 414 T HN 0.583 nan 8.240 nan 0.000 0.518 415 I N 0.527 121.032 120.570 -0.109 0.000 2.208 415 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 415 I C 2.583 178.654 176.117 -0.076 0.000 1.097 415 I CA 1.523 62.756 61.300 -0.112 0.000 1.363 415 I CB -0.435 37.496 38.000 -0.114 0.000 1.051 415 I HN 0.722 nan 8.210 nan 0.000 0.413 416 E N 0.735 120.900 120.200 -0.059 0.000 2.070 416 E HA -0.283 4.067 4.350 -0.000 0.000 0.197 416 E C 2.173 178.749 176.600 -0.040 0.000 1.004 416 E CA 1.416 57.791 56.400 -0.041 0.000 0.805 416 E CB -0.248 29.433 29.700 -0.032 0.000 0.744 416 E HN 0.512 nan 8.360 nan 0.000 0.451 417 Q N 0.150 119.921 119.800 -0.049 0.000 2.119 417 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 417 Q C 1.583 177.556 176.000 -0.045 0.000 0.972 417 Q CA 1.255 57.030 55.803 -0.046 0.000 0.847 417 Q CB 0.044 28.745 28.738 -0.061 0.000 0.903 417 Q HN 0.304 nan 8.270 nan 0.000 0.433 418 D N 0.452 120.818 120.400 -0.057 0.000 2.117 418 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 418 D C 1.856 178.140 176.300 -0.027 0.000 0.987 418 D CA 1.081 55.054 54.000 -0.045 0.000 0.829 418 D CB -0.114 40.648 40.800 -0.063 0.000 0.961 418 D HN 0.208 nan 8.370 nan 0.000 0.460 419 R N 0.672 121.153 120.500 -0.032 0.000 2.096 419 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 419 R C 2.243 178.536 176.300 -0.011 0.000 1.127 419 R CA 0.852 56.940 56.100 -0.019 0.000 0.968 419 R CB -0.156 30.131 30.300 -0.023 0.000 0.861 419 R HN 0.291 nan 8.270 nan 0.000 0.440 420 E N 0.940 121.132 120.200 -0.014 0.000 2.150 420 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 420 E C 2.000 178.598 176.600 -0.004 0.000 0.985 420 E CA 0.629 57.025 56.400 -0.008 0.000 0.814 420 E CB 0.094 29.788 29.700 -0.010 0.000 0.752 420 E HN 0.275 nan 8.360 nan 0.000 0.466 421 L N 0.796 122.015 121.223 -0.006 0.000 2.017 421 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 421 L C 2.532 179.406 176.870 0.007 0.000 1.073 421 L CA 1.406 56.247 54.840 0.001 0.000 0.745 421 L CB -0.275 41.784 42.059 0.001 0.000 0.894 421 L HN 0.047 nan 8.230 nan 0.000 0.432 422 K N -0.412 119.993 120.400 0.008 0.000 2.152 422 K HA -0.237 4.083 4.320 -0.000 0.000 0.206 422 K C 1.913 178.520 176.600 0.012 0.000 1.048 422 K CA 1.165 57.461 56.287 0.015 0.000 0.933 422 K CB -0.154 32.357 32.500 0.018 0.000 0.721 422 K HN 0.105 nan 8.250 nan 0.000 0.447 423 E N 0.746 120.950 120.200 0.007 0.000 2.331 423 E HA -0.075 4.275 4.350 -0.000 0.000 0.199 423 E C 0.789 177.392 176.600 0.006 0.000 1.008 423 E CA 0.708 57.112 56.400 0.006 0.000 0.843 423 E CB -0.116 29.586 29.700 0.003 0.000 0.761 423 E HN 0.377 nan 8.360 nan 0.000 0.507 424 G N -0.966 107.838 108.800 0.007 0.000 2.938 424 G HA2 0.243 4.203 3.960 -0.000 0.000 0.258 424 G HA3 0.243 4.203 3.960 -0.000 0.000 0.258 424 G C -0.624 174.280 174.900 0.008 0.000 1.356 424 G CA -0.751 44.352 45.100 0.006 0.000 1.052 424 G HN -0.019 nan 8.290 nan 0.000 0.550 425 N N 0.495 119.199 118.700 0.006 0.000 2.437 425 N HA 0.359 5.099 4.740 -0.000 0.000 0.243 425 N C -0.923 174.590 175.510 0.006 0.000 1.041 425 N CA -0.266 52.788 53.050 0.007 0.000 0.940 425 N CB 1.575 40.065 38.487 0.005 0.000 1.133 425 N HN 0.039 nan 8.380 nan 0.000 0.506 426 L N 1.388 122.617 121.223 0.009 0.000 2.334 426 L HA 0.279 4.619 4.340 -0.000 0.000 0.275 426 L C 0.628 177.499 176.870 0.001 0.000 1.036 426 L CA -0.701 54.143 54.840 0.006 0.000 0.807 426 L CB 0.972 43.040 42.059 0.015 0.000 1.231 426 L HN 0.439 nan 8.230 nan 0.000 0.438 427 D N -0.210 120.182 120.400 -0.014 0.000 2.372 427 D HA 0.080 4.720 4.640 -0.000 0.000 0.243 427 D C 1.177 177.461 176.300 -0.027 0.000 1.121 427 D CA 0.545 54.529 54.000 -0.027 0.000 0.898 427 D CB 1.141 41.909 40.800 -0.054 0.000 1.202 427 D HN 0.580 nan 8.370 nan 0.000 0.428 428 S N 3.820 119.511 115.700 -0.014 0.000 2.381 428 S HA -0.326 4.144 4.470 -0.000 0.000 0.230 428 S C 1.770 176.365 174.600 -0.008 0.000 1.052 428 S CA 1.124 59.335 58.200 0.017 0.000 1.068 428 S CB -0.378 62.847 63.200 0.043 0.000 0.918 428 S HN 0.646 nan 8.310 nan 0.000 0.448 429 R N 0.192 120.606 120.500 -0.143 0.000 2.153 429 R HA 0.228 4.568 4.340 -0.000 0.000 0.218 429 R C 2.329 178.408 176.300 -0.370 0.000 1.072 429 R CA 0.893 56.758 56.100 -0.392 0.000 0.990 429 R CB -0.415 29.380 30.300 -0.842 0.000 0.889 429 R HN 0.424 nan 8.270 nan 0.000 0.452 430 L N 0.459 121.565 121.223 -0.195 0.000 2.131 430 L HA 0.097 4.437 4.340 -0.000 0.000 0.206 430 L C 2.155 179.033 176.870 0.014 0.000 1.087 430 L CA 1.491 56.277 54.840 -0.089 0.000 0.767 430 L CB -0.451 41.574 42.059 -0.057 0.000 0.917 430 L HN 0.042 nan 8.230 nan 0.000 0.441 431 A N -0.004 122.831 122.820 0.024 0.000 1.902 431 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 431 A C 2.267 179.926 177.584 0.124 0.000 1.181 431 A CA 2.161 54.239 52.037 0.068 0.000 0.623 431 A CB -0.865 18.174 19.000 0.064 0.000 0.818 431 A HN 0.502 nan 8.150 nan 0.000 0.443 432 I N -0.362 120.312 120.570 0.173 0.000 2.179 432 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 432 I C 3.026 179.322 176.117 0.299 0.000 1.088 432 I CA 1.063 62.525 61.300 0.270 0.000 1.357 432 I CB -0.409 37.853 38.000 0.437 0.000 1.051 432 I HN 0.370 nan 8.210 nan 0.000 0.409 433 A N 0.563 123.610 122.820 0.379 0.000 1.865 433 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 433 A C 2.424 180.131 177.584 0.204 0.000 1.191 433 A CA 2.220 54.468 52.037 0.351 0.000 0.623 433 A CB -1.147 18.064 19.000 0.351 0.000 0.826 433 A HN 0.243 nan 8.150 nan 0.000 0.444 434 V N -0.046 119.956 119.914 0.146 0.000 2.255 434 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 434 V C 2.834 178.970 176.094 0.071 0.000 1.051 434 V CA 2.169 64.522 62.300 0.089 0.000 1.018 434 V CB -1.631 30.228 31.823 0.059 0.000 0.641 434 V HN 0.636 nan 8.190 nan 0.000 0.445 435 G N -0.189 108.671 108.800 0.100 0.000 2.418 435 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 435 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 435 G C 1.514 176.483 174.900 0.114 0.000 1.158 435 G CA 0.814 45.985 45.100 0.119 0.000 0.771 435 G HN 0.357 nan 8.290 nan 0.000 0.545 436 I N 1.940 122.582 120.570 0.120 0.000 2.142 436 I HA -0.161 4.009 4.170 -0.000 0.000 0.240 436 I C 3.018 179.149 176.117 0.022 0.000 1.078 436 I CA 1.719 63.073 61.300 0.091 0.000 1.343 436 I CB -0.884 37.174 38.000 0.097 0.000 1.046 436 I HN 0.370 nan 8.210 nan 0.000 0.405 437 R N 1.282 121.821 120.500 0.064 0.000 2.120 437 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 437 R C 1.951 178.139 176.300 -0.186 0.000 1.123 437 R CA 1.679 57.804 56.100 0.042 0.000 0.975 437 R CB -0.741 29.667 30.300 0.180 0.000 0.866 437 R HN 0.468 nan 8.270 nan 0.000 0.446 438 E N 0.973 121.071 120.200 -0.169 0.000 2.051 438 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 438 E C 2.038 178.392 176.600 -0.410 0.000 0.991 438 E CA 1.498 57.750 56.400 -0.248 0.000 0.799 438 E CB -0.372 29.232 29.700 -0.161 0.000 0.748 438 E HN 0.523 nan 8.360 nan 0.000 0.449 439 G N 0.949 109.385 108.800 -0.607 0.000 2.442 439 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 439 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 439 G C 1.385 175.955 174.900 -0.551 0.000 1.141 439 G CA 0.878 45.249 45.100 -1.216 0.000 0.763 439 G HN 0.348 nan 8.290 nan 0.000 0.554 440 E N 0.358 120.390 120.200 -0.280 0.000 2.106 440 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 440 E C 2.504 178.974 176.600 -0.217 0.000 0.984 440 E CA 0.721 57.083 56.400 -0.064 0.000 0.806 440 E CB -0.087 29.717 29.700 0.174 0.000 0.750 440 E HN 0.383 nan 8.360 nan 0.000 0.458 441 K N 0.308 120.459 120.400 -0.416 0.000 2.148 441 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 441 K C 2.178 178.629 176.600 -0.248 0.000 1.050 441 K CA 1.013 57.044 56.287 -0.427 0.000 0.942 441 K CB -0.065 32.127 32.500 -0.513 0.000 0.724 441 K HN 0.143 nan 8.250 nan 0.000 0.446 442 M N 0.341 119.791 119.600 -0.249 0.000 2.086 442 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 442 M C 2.255 178.565 176.300 0.017 0.000 1.067 442 M CA 1.420 56.626 55.300 -0.157 0.000 1.116 442 M CB -0.275 32.100 32.600 -0.375 0.000 1.348 442 M HN -0.073 nan 8.290 nan 0.000 0.407 443 V N 0.354 120.280 119.914 0.020 0.000 2.343 443 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 443 V C 2.334 178.440 176.094 0.021 0.000 1.051 443 V CA 1.267 63.648 62.300 0.136 0.000 1.036 443 V CB -0.628 31.285 31.823 0.149 0.000 0.654 443 V HN 0.342 nan 8.190 nan 0.000 0.451 444 L N -0.207 120.942 121.223 -0.124 0.000 2.046 444 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 444 L C 2.519 179.339 176.870 -0.083 0.000 1.077 444 L CA 1.854 56.571 54.840 -0.204 0.000 0.747 444 L CB -1.064 40.813 42.059 -0.303 0.000 0.896 444 L HN 0.401 nan 8.230 nan 0.000 0.432 445 Q N -1.522 118.247 119.800 -0.051 0.000 2.172 445 Q HA -0.230 4.110 4.340 -0.000 0.000 0.200 445 Q C 2.130 178.154 176.000 0.039 0.000 0.964 445 Q CA 1.138 56.935 55.803 -0.009 0.000 0.855 445 Q CB -0.050 28.680 28.738 -0.014 0.000 0.918 445 Q HN 0.583 nan 8.270 nan 0.000 0.444 446 Q N 0.875 120.721 119.800 0.076 0.000 2.050 446 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 446 Q C 2.027 178.079 176.000 0.087 0.000 0.980 446 Q CA 1.111 56.968 55.803 0.090 0.000 0.840 446 Q CB -0.005 28.811 28.738 0.129 0.000 0.898 446 Q HN 0.388 nan 8.270 nan 0.000 0.424 447 I N 0.793 121.425 120.570 0.103 0.000 2.127 447 I HA -0.295 3.875 4.170 -0.000 0.000 0.241 447 I C 2.094 178.348 176.117 0.228 0.000 1.075 447 I CA 1.746 63.153 61.300 0.179 0.000 1.334 447 I CB -0.430 37.641 38.000 0.119 0.000 1.040 447 I HN 0.342 nan 8.210 nan 0.000 0.405 448 D N 0.753 121.219 120.400 0.110 0.000 2.149 448 D HA -0.168 4.472 4.640 -0.000 0.000 0.198 448 D C 2.176 178.546 176.300 0.117 0.000 0.990 448 D CA 1.609 55.668 54.000 0.098 0.000 0.839 448 D CB -0.150 40.668 40.800 0.030 0.000 0.948 448 D HN 0.323 nan 8.370 nan 0.000 0.460 449 G N 0.037 108.886 108.800 0.082 0.000 2.408 449 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 449 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 449 G C 1.709 176.633 174.900 0.041 0.000 1.150 449 G CA 0.509 45.641 45.100 0.053 0.000 0.776 449 G HN 0.341 nan 8.290 nan 0.000 0.542 450 I N -0.410 120.189 120.570 0.048 0.000 2.226 450 I HA -0.101 4.069 4.170 -0.000 0.000 0.245 450 I C 2.208 178.233 176.117 -0.153 0.000 1.100 450 I CA 0.975 62.234 61.300 -0.069 0.000 1.374 450 I CB -0.201 37.730 38.000 -0.115 0.000 1.057 450 I HN 0.077 nan 8.210 nan 0.000 0.413 451 F N 0.570 120.512 119.950 -0.012 0.000 2.615 451 F HA -0.057 4.470 4.527 -0.000 0.000 0.297 451 F C 2.473 178.268 175.800 -0.008 0.000 1.124 451 F CA 0.733 58.726 58.000 -0.012 0.000 1.451 451 F CB -0.261 38.731 39.000 -0.014 0.000 1.103 451 F HN 0.088 nan 8.300 nan 0.000 0.569 452 E N -0.003 120.276 120.200 0.132 0.000 2.072 452 E HA -0.206 4.144 4.350 -0.000 0.000 0.190 452 E C 2.155 178.775 176.600 0.034 0.000 0.982 452 E CA 0.801 57.246 56.400 0.075 0.000 0.803 452 E CB 0.011 29.743 29.700 0.054 0.000 0.755 452 E HN 0.208 nan 8.360 nan 0.000 0.453 453 Q N 0.928 120.731 119.800 0.004 0.000 2.124 453 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 453 Q C 1.938 177.918 176.000 -0.034 0.000 0.977 453 Q CA 1.338 57.127 55.803 -0.023 0.000 0.850 453 Q CB -0.017 28.692 28.738 -0.048 0.000 0.901 453 Q HN 0.270 nan 8.270 nan 0.000 0.429 454 K N 0.243 120.610 120.400 -0.055 0.000 2.147 454 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 454 K C 1.925 178.530 176.600 0.009 0.000 1.049 454 K CA 1.052 57.305 56.287 -0.058 0.000 0.936 454 K CB 0.047 32.472 32.500 -0.126 0.000 0.722 454 K HN 0.297 nan 8.250 nan 0.000 0.446 455 E N 0.740 120.963 120.200 0.038 0.000 2.150 455 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 455 E C 1.962 178.580 176.600 0.030 0.000 0.985 455 E CA 0.738 57.167 56.400 0.048 0.000 0.814 455 E CB -0.009 29.723 29.700 0.054 0.000 0.752 455 E HN 0.248 nan 8.360 nan 0.000 0.466 456 L N 0.905 122.138 121.223 0.016 0.000 2.093 456 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 456 L C 1.671 178.544 176.870 0.005 0.000 1.085 456 L CA 1.069 55.915 54.840 0.009 0.000 0.755 456 L CB -0.282 41.778 42.059 0.001 0.000 0.904 456 L HN 0.090 nan 8.230 nan 0.000 0.435 457 E N 0.062 120.259 120.200 -0.004 0.000 2.403 457 E HA -0.041 4.309 4.350 -0.000 0.000 0.188 457 E C 1.614 178.215 176.600 0.001 0.000 1.056 457 E CA -0.212 56.180 56.400 -0.015 0.000 0.892 457 E CB 0.186 29.863 29.700 -0.038 0.000 1.049 457 E HN 0.214 nan 8.360 nan 0.000 0.465 458 L N 1.503 122.747 121.223 0.034 0.000 2.351 458 L HA -0.185 4.155 4.340 -0.000 0.000 0.220 458 L C 1.214 178.159 176.870 0.123 0.000 1.127 458 L CA 1.693 56.588 54.840 0.090 0.000 0.786 458 L CB -0.056 42.056 42.059 0.088 0.000 0.914 458 L HN 0.086 nan 8.230 nan 0.000 0.443 459 D N -2.225 118.211 120.400 0.060 0.000 2.398 459 D HA 0.017 4.657 4.640 -0.000 0.000 0.210 459 D C 1.636 177.927 176.300 -0.014 0.000 1.094 459 D CA 0.143 54.178 54.000 0.058 0.000 0.839 459 D CB 0.451 41.279 40.800 0.047 0.000 0.963 459 D HN 0.470 nan 8.370 nan 0.000 0.506 460 Q N 0.028 119.796 119.800 -0.053 0.000 2.354 460 Q HA 0.156 4.496 4.340 -0.000 0.000 0.203 460 Q C 0.689 176.589 176.000 -0.167 0.000 0.933 460 Q CA 0.234 55.985 55.803 -0.087 0.000 0.901 460 Q CB 0.839 29.535 28.738 -0.069 0.000 1.007 460 Q HN 0.199 nan 8.270 nan 0.000 0.495 461 L N 2.003 123.061 121.223 -0.274 0.000 2.426 461 L HA 0.070 4.410 4.340 -0.000 0.000 0.271 461 L C 0.042 176.526 176.870 -0.644 0.000 1.169 461 L CA 0.165 54.719 54.840 -0.477 0.000 0.836 461 L CB 0.565 42.228 42.059 -0.659 0.000 1.112 461 L HN 0.085 nan 8.230 nan 0.000 0.465 462 E N 3.479 123.415 120.200 -0.440 0.000 2.014 462 E HA 0.213 4.563 4.350 -0.000 0.000 0.275 462 E C -0.988 175.437 176.600 -0.291 0.000 0.997 462 E CA -0.276 55.942 56.400 -0.303 0.000 0.804 462 E CB 0.625 30.237 29.700 -0.146 0.000 1.090 462 E HN 0.339 nan 8.360 nan 0.000 0.401 463 Y N 0.567 120.865 120.300 -0.005 0.000 2.230 463 Y HA -0.119 4.431 4.550 -0.000 0.000 0.354 463 Y C 1.653 177.571 175.900 0.030 0.000 1.343 463 Y CA -0.410 57.700 58.100 0.017 0.000 1.693 463 Y CB 0.088 38.561 38.460 0.021 0.000 1.553 463 Y HN 0.549 nan 8.280 nan 0.000 0.599 464 Y N 0.723 121.099 120.300 0.127 0.000 2.069 464 Y HA -0.363 4.187 4.550 -0.000 0.000 0.278 464 Y C 2.276 178.182 175.900 0.011 0.000 1.175 464 Y CA 2.147 60.240 58.100 -0.012 0.000 1.134 464 Y CB -0.334 38.062 38.460 -0.107 0.000 0.965 464 Y HN 0.529 nan 8.280 nan 0.000 0.498 465 Q N 0.453 120.183 119.800 -0.116 0.000 2.030 465 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 465 Q C 2.344 178.233 176.000 -0.185 0.000 0.986 465 Q CA 2.115 57.781 55.803 -0.229 0.000 0.843 465 Q CB -0.769 27.949 28.738 -0.032 0.000 0.904 465 Q HN 0.742 nan 8.270 nan 0.000 0.420 466 E N 0.550 120.712 120.200 -0.062 0.000 2.118 466 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 466 E C 1.856 178.404 176.600 -0.086 0.000 0.992 466 E CA 0.865 57.232 56.400 -0.055 0.000 0.804 466 E CB 0.120 29.811 29.700 -0.016 0.000 0.741 466 E HN 0.250 nan 8.360 nan 0.000 0.458 467 R N -0.149 120.289 120.500 -0.103 0.000 2.235 467 R HA 0.012 4.352 4.340 -0.000 0.000 0.213 467 R C 2.412 178.642 176.300 -0.118 0.000 1.059 467 R CA 0.296 56.347 56.100 -0.081 0.000 0.997 467 R CB -0.133 30.151 30.300 -0.025 0.000 0.884 467 R HN 0.018 nan 8.270 nan 0.000 0.462 468 R N 1.279 121.636 120.500 -0.237 0.000 2.115 468 R HA 0.018 4.358 4.340 -0.000 0.000 0.226 468 R C 0.865 177.092 176.300 -0.122 0.000 1.100 468 R CA 0.990 56.947 56.100 -0.238 0.000 0.980 468 R CB 0.084 30.124 30.300 -0.434 0.000 0.875 468 R HN 0.206 nan 8.270 nan 0.000 0.445 469 L N 1.616 122.775 121.223 -0.106 0.000 3.084 469 L HA 0.154 4.494 4.340 -0.000 0.000 0.238 469 L C 1.237 178.080 176.870 -0.046 0.000 1.327 469 L CA -0.386 54.415 54.840 -0.065 0.000 1.094 469 L CB 0.522 42.544 42.059 -0.060 0.000 1.477 469 L HN -0.167 nan 8.230 nan 0.000 0.514 470 K N 1.475 121.851 120.400 -0.040 0.000 1.993 470 K HA -0.056 4.264 4.320 -0.000 0.000 0.220 470 K C 0.605 177.193 176.600 -0.020 0.000 1.028 470 K CA 1.126 57.396 56.287 -0.028 0.000 0.994 470 K CB -0.177 32.312 32.500 -0.019 0.000 0.788 470 K HN 0.407 nan 8.250 nan 0.000 0.445 471 D N 2.255 122.647 120.400 -0.014 0.000 2.558 471 D HA 0.024 4.664 4.640 -0.000 0.000 0.221 471 D C 1.206 177.500 176.300 -0.010 0.000 1.143 471 D CA -0.011 53.983 54.000 -0.010 0.000 1.010 471 D CB 0.240 41.037 40.800 -0.006 0.000 1.068 471 D HN 0.111 nan 8.370 nan 0.000 0.511 472 L N 1.416 122.631 121.223 -0.013 0.000 2.056 472 L HA -0.015 4.325 4.340 -0.000 0.000 0.207 472 L C 1.664 178.528 176.870 -0.009 0.000 1.078 472 L CA 1.260 56.092 54.840 -0.013 0.000 0.749 472 L CB -0.406 41.643 42.059 -0.016 0.000 0.901 472 L HN 0.704 nan 8.230 nan 0.000 0.433 473 G N -0.611 108.184 108.800 -0.009 0.000 2.248 473 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.263 473 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.263 473 G C 0.663 175.558 174.900 -0.009 0.000 1.082 473 G CA 0.290 45.386 45.100 -0.008 0.000 0.863 473 G HN 0.276 nan 8.290 nan 0.000 0.495 474 L N -1.039 120.177 121.223 -0.010 0.000 2.017 474 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 474 L C 2.011 178.875 176.870 -0.011 0.000 1.073 474 L CA 1.490 56.323 54.840 -0.011 0.000 0.745 474 L CB -0.271 41.781 42.059 -0.011 0.000 0.894 474 L HN 0.483 nan 8.230 nan 0.000 0.432 475 C N 1.173 120.466 119.300 -0.010 0.000 2.400 475 C HA 0.438 4.898 4.460 -0.000 0.000 0.457 475 C C 1.308 176.292 174.990 -0.010 0.000 1.020 475 C CA -0.683 58.329 59.018 -0.010 0.000 1.258 475 C CB -1.574 26.160 27.740 -0.010 0.000 1.532 475 C HN 0.505 nan 8.230 nan 0.000 0.537 476 G N 2.059 110.852 108.800 -0.011 0.000 3.434 476 G HA2 0.519 4.479 3.960 -0.000 0.000 0.197 476 G HA3 0.519 4.479 3.960 -0.000 0.000 0.197 476 G C -0.268 174.624 174.900 -0.013 0.000 1.559 476 G CA -0.196 44.897 45.100 -0.011 0.000 0.852 476 G HN 0.636 nan 8.290 nan 0.000 0.682 477 E N -0.549 119.641 120.200 -0.017 0.000 2.281 477 E HA 0.408 4.758 4.350 -0.000 0.000 0.257 477 E C -0.754 175.831 176.600 -0.026 0.000 0.971 477 E CA -0.942 55.446 56.400 -0.020 0.000 0.839 477 E CB 1.375 31.062 29.700 -0.022 0.000 1.238 477 E HN 0.162 nan 8.360 nan 0.000 0.412 478 N N 0.492 119.175 118.700 -0.028 0.000 3.243 478 N HA 0.076 4.816 4.740 -0.000 0.000 0.310 478 N C 0.945 176.426 175.510 -0.048 0.000 1.313 478 N CA 0.351 53.382 53.050 -0.032 0.000 1.204 478 N CB -0.267 38.203 38.487 -0.028 0.000 1.483 478 N HN 0.746 nan 8.380 nan 0.000 0.553 479 G N 0.360 109.127 108.800 -0.054 0.000 2.657 479 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.224 479 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.224 479 G C 1.225 176.056 174.900 -0.114 0.000 1.086 479 G CA 0.862 45.912 45.100 -0.083 0.000 0.730 479 G HN 0.485 nan 8.290 nan 0.000 0.602 480 D N 0.028 120.379 120.400 -0.081 0.000 2.218 480 D HA -0.047 4.593 4.640 -0.000 0.000 0.204 480 D C 2.465 178.711 176.300 -0.090 0.000 0.976 480 D CA 0.466 54.420 54.000 -0.077 0.000 0.853 480 D CB -0.148 40.629 40.800 -0.038 0.000 0.939 480 D HN 0.425 nan 8.370 nan 0.000 0.481 481 I N -0.124 120.396 120.570 -0.083 0.000 2.315 481 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 481 I C 2.076 178.115 176.117 -0.130 0.000 1.117 481 I CA 0.653 61.905 61.300 -0.080 0.000 1.404 481 I CB -0.125 37.841 38.000 -0.056 0.000 1.071 481 I HN 0.124 nan 8.210 nan 0.000 0.419 482 L N 0.128 121.246 121.223 -0.174 0.000 2.156 482 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 482 L C 2.539 179.116 176.870 -0.487 0.000 1.095 482 L CA 0.789 55.476 54.840 -0.256 0.000 0.770 482 L CB -0.537 41.379 42.059 -0.239 0.000 0.914 482 L HN 0.230 nan 8.230 nan 0.000 0.439 483 E N 0.303 120.229 120.200 -0.456 0.000 2.153 483 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 483 E C 1.637 178.037 176.600 -0.334 0.000 0.988 483 E CA 0.836 56.949 56.400 -0.480 0.000 0.811 483 E CB -0.389 29.178 29.700 -0.222 0.000 0.746 483 E HN 0.523 nan 8.360 nan 0.000 0.466 484 N N 0.532 119.077 118.700 -0.258 0.000 2.459 484 N HA -0.057 4.683 4.740 -0.000 0.000 0.181 484 N C 1.476 176.571 175.510 -0.693 0.000 1.046 484 N CA 0.490 53.341 53.050 -0.331 0.000 0.904 484 N CB 0.107 38.552 38.487 -0.071 0.000 0.964 484 N HN 0.220 nan 8.380 nan 0.000 0.444 485 L N -0.815 120.150 121.223 -0.431 0.000 2.667 485 L HA 0.179 4.519 4.340 -0.000 0.000 0.232 485 L C 1.246 178.043 176.870 -0.122 0.000 1.138 485 L CA -0.114 54.556 54.840 -0.283 0.000 0.921 485 L CB -0.034 41.958 42.059 -0.113 0.000 1.180 485 L HN 0.130 nan 8.230 nan 0.000 0.487 486 Y N -0.187 119.842 120.300 -0.452 0.000 2.239 486 Y HA -0.021 4.529 4.550 -0.000 0.000 0.293 486 Y C 1.610 177.397 175.900 -0.189 0.000 1.126 486 Y CA -0.431 57.523 58.100 -0.242 0.000 1.128 486 Y CB 0.179 38.569 38.460 -0.116 0.000 1.066 486 Y HN 0.106 nan 8.280 nan 0.000 0.516 487 F N 0.000 120.058 119.950 0.181 0.000 2.286 487 F HA 0.000 4.527 4.527 0.000 0.000 0.279 487 F CA 0.000 58.054 58.000 0.090 0.000 1.383 487 F CB 0.000 39.041 39.000 0.069 0.000 1.145 487 F HN 0.000 nan 8.300 nan 0.000 0.574