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 1h9y_1_B DATA FIRST_RESID 49 DATA SEQUENCE LSDAQYNEAN KIYFERCAGC HGVLRKGATG KALTPDLTRD LGFDYLQSFI DATA SEQUENCE TYGSPAGMPN WGTSGELSAE QVDLMANYLL LDPAAPPEFG MKEMRESWKV DATA SEQUENCE HVAPEDRPTQ QENDWDLENL FSVTLRDAGQ IALIDGATYE IKSVLDTGYA DATA SEQUENCE VHISRLSASG RYLFVIGRDG KVNMIDLWMK EPTTVAEIKI GSEARSIETS DATA SEQUENCE KMEGWEDKYA IAGAYWPPQY VIMDGETLEP KKIQSTRGMT YDEQEYHPEP DATA SEQUENCE RVAAILASHY RPEFIVNVKE TGKILLVDYT DLDNLKTTEI SAERFLHDGG DATA SEQUENCE LDGSHRYFIT AANARNKLVV IDTKEGKLVA IEDTGGQTPH PGRGANFVHP DATA SEQUENCE TFGPVWATSH MGDDSVALIG TDPEGHPDNA WKILDSFPAL GGGSLFIKTH DATA SEQUENCE PNSQYLYVDA TLNPEAEISG SVAVFDIKAM TGDGSDPEFK TLPIAEWAGI DATA SEQUENCE TEGQPRVVQG EFNKDGTEVW FSVWNGKDQE SALVVVDDKT LELKHVIKDE DATA SEQUENCE RLVTPTGKFN VYNTMTDTY 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 49 L HA 0.000 nan 4.340 nan 0.000 0.249 49 L C 0.000 176.928 176.870 0.096 0.000 1.165 49 L CA 0.000 54.911 54.840 0.119 0.000 0.813 49 L CB 0.000 42.181 42.059 0.204 0.000 0.961 50 S N -1.054 114.696 115.700 0.083 0.000 2.606 50 S HA 0.174 4.644 4.470 0.000 0.000 0.257 50 S C 0.461 175.114 174.600 0.088 0.000 1.327 50 S CA -0.186 58.052 58.200 0.063 0.000 0.984 50 S CB 0.818 64.049 63.200 0.052 0.000 0.941 50 S HN 0.677 nan 8.310 nan 0.000 0.576 51 D N 1.122 121.559 120.400 0.062 0.000 2.123 51 D HA -0.048 4.592 4.640 0.000 0.000 0.196 51 D C 2.148 178.525 176.300 0.128 0.000 0.992 51 D CA 1.888 55.933 54.000 0.074 0.000 0.833 51 D CB -0.862 39.962 40.800 0.041 0.000 0.954 51 D HN 0.690 nan 8.370 nan 0.000 0.455 52 A N 0.402 123.281 122.820 0.099 0.000 1.968 52 A HA -0.151 4.169 4.320 0.000 0.000 0.217 52 A C 2.105 179.754 177.584 0.108 0.000 1.169 52 A CA 1.005 53.100 52.037 0.096 0.000 0.638 52 A CB -0.394 18.644 19.000 0.064 0.000 0.812 52 A HN 0.176 nan 8.150 nan 0.000 0.446 53 Q N -1.891 117.979 119.800 0.116 0.000 2.079 53 Q HA -0.191 4.149 4.340 0.000 0.000 0.200 53 Q C 1.957 178.044 176.000 0.144 0.000 0.974 53 Q CA 1.745 57.613 55.803 0.108 0.000 0.840 53 Q CB -0.328 28.472 28.738 0.102 0.000 0.898 53 Q HN 0.836 nan 8.270 nan 0.000 0.430 54 Y N 1.803 122.156 120.300 0.090 0.000 2.207 54 Y HA -0.253 4.297 4.550 0.000 0.000 0.287 54 Y C 1.804 177.788 175.900 0.139 0.000 1.156 54 Y CA 1.404 59.593 58.100 0.149 0.000 1.182 54 Y CB -0.017 38.522 38.460 0.132 0.000 0.979 54 Y HN 0.143 nan 8.280 nan 0.000 0.521 55 N N 0.461 119.301 118.700 0.234 0.000 2.142 55 N HA -0.200 4.540 4.740 0.000 0.000 0.186 55 N C 1.880 177.406 175.510 0.026 0.000 1.023 55 N CA 1.599 54.736 53.050 0.145 0.000 0.852 55 N CB -0.447 38.130 38.487 0.149 0.000 0.998 55 N HN 0.611 nan 8.380 nan 0.000 0.424 56 E N 0.787 120.991 120.200 0.006 0.000 2.047 56 E HA -0.086 4.264 4.350 0.000 0.000 0.191 56 E C 1.850 178.364 176.600 -0.144 0.000 0.987 56 E CA 0.930 57.306 56.400 -0.040 0.000 0.799 56 E CB -0.002 29.686 29.700 -0.021 0.000 0.752 56 E HN 0.264 nan 8.360 nan 0.000 0.449 57 A N 1.384 124.079 122.820 -0.208 0.000 1.873 57 A HA -0.296 4.024 4.320 0.000 0.000 0.218 57 A C 2.024 179.123 177.584 -0.809 0.000 1.193 57 A CA 2.099 53.858 52.037 -0.463 0.000 0.629 57 A CB -1.077 17.701 19.000 -0.369 0.000 0.826 57 A HN 0.374 nan 8.150 nan 0.000 0.447 58 N N -0.472 117.825 118.700 -0.672 0.000 2.149 58 N HA -0.183 4.557 4.740 0.000 0.000 0.188 58 N C 1.744 177.235 175.510 -0.031 0.000 1.019 58 N CA 1.932 54.753 53.050 -0.382 0.000 0.857 58 N CB -0.231 38.208 38.487 -0.081 0.000 0.997 58 N HN 0.587 nan 8.380 nan 0.000 0.426 59 K N 0.218 120.607 120.400 -0.019 0.000 2.025 59 K HA -0.052 4.268 4.320 0.000 0.000 0.207 59 K C 1.892 178.498 176.600 0.009 0.000 1.049 59 K CA 1.133 57.462 56.287 0.071 0.000 0.933 59 K CB -0.147 32.377 32.500 0.039 0.000 0.714 59 K HN 0.222 nan 8.250 nan 0.000 0.438 60 I N 0.336 120.828 120.570 -0.129 0.000 2.286 60 I HA -0.270 3.900 4.170 0.000 0.000 0.248 60 I C 2.301 178.262 176.117 -0.261 0.000 1.115 60 I CA 1.067 62.249 61.300 -0.196 0.000 1.392 60 I CB -0.364 37.473 38.000 -0.272 0.000 1.065 60 I HN 0.219 nan 8.210 nan 0.000 0.418 61 Y N 1.384 121.408 120.300 -0.460 0.000 2.049 61 Y HA -0.320 4.230 4.550 0.000 0.000 0.277 61 Y C 2.334 178.014 175.900 -0.366 0.000 1.143 61 Y CA 1.856 59.639 58.100 -0.528 0.000 1.115 61 Y CB -0.548 37.427 38.460 -0.809 0.000 0.975 61 Y HN -0.042 nan 8.280 nan 0.000 0.487 62 F N 0.827 120.803 119.950 0.043 0.000 2.161 62 F HA -0.207 4.320 4.527 0.000 0.000 0.300 62 F C 2.332 178.137 175.800 0.009 0.000 1.089 62 F CA 2.000 60.037 58.000 0.062 0.000 1.282 62 F CB -0.560 38.548 39.000 0.180 0.000 1.010 62 F HN 0.227 nan 8.300 nan 0.000 0.485 63 E N -0.551 119.742 120.200 0.156 0.000 2.122 63 E HA -0.046 4.304 4.350 0.000 0.000 0.190 63 E C 1.715 178.336 176.600 0.035 0.000 0.977 63 E CA 0.767 57.236 56.400 0.114 0.000 0.820 63 E CB -0.036 29.731 29.700 0.113 0.000 0.770 63 E HN 0.396 nan 8.360 nan 0.000 0.462 64 R N -1.167 119.280 120.500 -0.087 0.000 2.509 64 R HA 0.242 4.582 4.340 0.000 0.000 0.297 64 R C 1.063 177.283 176.300 -0.133 0.000 0.951 64 R CA -0.091 55.971 56.100 -0.063 0.000 1.103 64 R CB 0.675 30.839 30.300 -0.226 0.000 1.283 64 R HN 0.094 nan 8.270 nan 0.000 0.534 65 C N -1.411 117.673 119.300 -0.360 0.000 3.054 65 C HA 0.351 4.811 4.460 0.000 0.000 0.527 65 C C 2.433 177.165 174.990 -0.430 0.000 1.347 65 C CA 0.183 58.944 59.018 -0.429 0.000 2.453 65 C CB 0.284 27.473 27.740 -0.917 0.000 3.406 65 C HN 0.499 nan 8.230 nan 0.000 0.562 66 A N 1.521 123.967 122.820 -0.623 0.000 2.024 66 A HA 0.090 4.410 4.320 0.000 0.000 0.220 66 A C 2.234 179.806 177.584 -0.021 0.000 1.164 66 A CA 2.077 53.958 52.037 -0.260 0.000 0.643 66 A CB -1.108 17.878 19.000 -0.024 0.000 0.806 66 A HN 0.595 nan 8.150 nan 0.000 0.451 67 G N -1.406 107.385 108.800 -0.015 0.000 2.450 67 G HA2 -0.222 3.738 3.960 0.000 0.000 0.220 67 G HA3 -0.222 3.738 3.960 0.000 0.000 0.220 67 G C 1.344 176.249 174.900 0.009 0.000 1.130 67 G CA 1.496 46.610 45.100 0.023 0.000 0.760 67 G HN 0.546 nan 8.290 nan 0.000 0.557 68 C N -1.569 117.714 119.300 -0.028 0.000 3.097 68 C HA 0.351 4.811 4.460 0.000 0.000 0.335 68 C C 1.892 176.764 174.990 -0.197 0.000 1.283 68 C CA -0.243 58.705 59.018 -0.116 0.000 1.778 68 C CB -0.375 27.243 27.740 -0.203 0.000 2.365 68 C HN 0.485 nan 8.230 nan 0.000 0.627 69 H N 0.597 119.674 119.070 0.013 0.000 2.622 69 H HA 0.306 4.862 4.556 0.000 0.000 0.269 69 H C 1.324 176.716 175.328 0.107 0.000 0.977 69 H CA 1.273 57.358 56.048 0.062 0.000 1.179 69 H CB 0.441 30.255 29.762 0.086 0.000 1.458 69 H HN 0.531 nan 8.280 nan 0.000 0.531 70 G N 0.543 109.450 108.800 0.179 0.000 2.690 70 G HA2 -0.250 3.710 3.960 0.000 0.000 0.686 70 G HA3 -0.250 3.710 3.960 0.000 0.000 0.686 70 G C 1.006 176.045 174.900 0.231 0.000 1.277 70 G CA -0.078 45.130 45.100 0.180 0.000 0.799 70 G HN 0.225 nan 8.290 nan 0.000 0.613 71 V N -1.313 118.715 119.914 0.190 0.000 2.667 71 V HA 0.228 4.348 4.120 0.000 0.000 0.252 71 V C 2.008 178.206 176.094 0.173 0.000 1.065 71 V CA 2.086 64.531 62.300 0.241 0.000 1.083 71 V CB -0.436 31.343 31.823 -0.074 0.000 0.692 71 V HN 0.701 nan 8.190 nan 0.000 0.468 72 L N 0.539 121.800 121.223 0.063 0.000 3.062 72 L HA 0.465 4.805 4.340 0.000 0.000 0.255 72 L C 0.758 177.639 176.870 0.017 0.000 1.274 72 L CA -0.426 54.421 54.840 0.012 0.000 1.047 72 L CB -0.091 41.948 42.059 -0.034 0.000 1.402 72 L HN 0.274 nan 8.230 nan 0.000 0.550 73 R N -0.289 120.252 120.500 0.069 0.000 3.591 73 R HA -0.246 4.094 4.340 0.000 0.000 0.268 73 R C 0.672 177.018 176.300 0.077 0.000 1.102 73 R CA 0.724 56.876 56.100 0.087 0.000 0.732 73 R CB -1.621 28.642 30.300 -0.063 0.000 1.117 73 R HN 0.468 nan 8.270 nan 0.000 0.472 74 K N 0.707 121.156 120.400 0.082 0.000 2.444 74 K HA 0.111 4.431 4.320 0.000 0.000 0.193 74 K C 0.980 177.633 176.600 0.088 0.000 1.024 74 K CA 0.603 56.929 56.287 0.065 0.000 1.077 74 K CB 0.651 33.179 32.500 0.048 0.000 0.833 74 K HN 0.544 nan 8.250 nan 0.000 0.517 75 G N 0.286 109.164 108.800 0.129 0.000 2.722 75 G HA2 -0.016 3.944 3.960 0.000 0.000 0.686 75 G HA3 -0.016 3.944 3.960 0.000 0.000 0.686 75 G C -0.215 174.738 174.900 0.089 0.000 1.282 75 G CA -0.471 44.703 45.100 0.124 0.000 0.817 75 G HN 0.273 nan 8.290 nan 0.000 0.605 76 A N 0.332 123.185 122.820 0.055 0.000 1.877 76 A HA 0.806 5.126 4.320 0.000 0.000 0.177 76 A C 1.873 179.478 177.584 0.035 0.000 1.684 76 A CA 1.499 53.574 52.037 0.063 0.000 1.774 76 A CB -0.434 18.613 19.000 0.078 0.000 1.732 76 A HN 1.655 nan 8.150 nan 0.000 0.909 77 T N 0.439 114.995 114.554 0.003 0.000 2.896 77 T HA 0.251 4.601 4.350 0.000 0.000 0.263 77 T C 1.008 175.672 174.700 -0.060 0.000 1.050 77 T CA 1.231 63.337 62.100 0.009 0.000 1.140 77 T CB -0.493 68.393 68.868 0.029 0.000 0.877 77 T HN 0.778 nan 8.240 nan 0.000 0.457 78 G N 0.917 109.583 108.800 -0.223 0.000 2.504 78 G HA2 0.473 4.433 3.960 0.000 0.000 0.288 78 G HA3 0.473 4.433 3.960 0.000 0.000 0.288 78 G C -0.560 174.269 174.900 -0.117 0.000 1.182 78 G CA -0.568 44.276 45.100 -0.426 0.000 0.894 78 G HN 0.319 nan 8.290 nan 0.000 0.521 79 K N -0.170 120.271 120.400 0.068 0.000 2.219 79 K HA 0.431 4.750 4.320 0.000 0.000 0.258 79 K C 0.677 177.406 176.600 0.215 0.000 1.008 79 K CA -0.223 56.142 56.287 0.131 0.000 0.928 79 K CB 0.916 33.462 32.500 0.077 0.000 0.983 79 K HN 0.559 nan 8.250 nan 0.000 0.484 80 A N 2.449 125.337 122.820 0.113 0.000 2.548 80 A HA 0.071 4.391 4.320 0.000 0.000 0.247 80 A C 0.305 177.921 177.584 0.054 0.000 1.067 80 A CA 0.262 52.352 52.037 0.089 0.000 0.757 80 A CB -0.322 18.707 19.000 0.048 0.000 0.996 80 A HN 0.688 nan 8.150 nan 0.000 0.504 81 L N 3.320 124.561 121.223 0.031 0.000 3.141 81 L HA 0.136 4.476 4.340 0.000 0.000 0.267 81 L C 0.803 177.631 176.870 -0.070 0.000 1.281 81 L CA -0.220 54.592 54.840 -0.047 0.000 1.037 81 L CB -0.302 41.683 42.059 -0.122 0.000 1.407 81 L HN 0.887 nan 8.230 nan 0.000 0.566 82 T N -3.397 111.129 114.554 -0.046 0.000 2.813 82 T HA 0.182 4.532 4.350 0.000 0.000 0.297 82 T C -1.510 173.154 174.700 -0.061 0.000 1.036 82 T CA -1.431 60.632 62.100 -0.061 0.000 1.044 82 T CB 0.870 69.716 68.868 -0.037 0.000 0.993 82 T HN -0.096 nan 8.240 nan 0.000 0.535 83 P HA -0.155 nan 4.420 nan 0.000 0.215 83 P C 1.273 178.550 177.300 -0.038 0.000 1.153 83 P CA 1.501 64.568 63.100 -0.056 0.000 0.853 83 P CB -0.138 31.526 31.700 -0.060 0.000 0.788 84 D N 1.110 121.490 120.400 -0.034 0.000 2.177 84 D HA -0.232 4.408 4.640 0.000 0.000 0.189 84 D C 2.030 178.312 176.300 -0.029 0.000 1.002 84 D CA 1.597 55.581 54.000 -0.027 0.000 0.845 84 D CB -1.395 39.391 40.800 -0.023 0.000 0.960 84 D HN 0.221 nan 8.370 nan 0.000 0.447 85 L N -0.409 120.795 121.223 -0.030 0.000 2.056 85 L HA -0.067 4.273 4.340 0.000 0.000 0.207 85 L C 2.920 179.766 176.870 -0.040 0.000 1.078 85 L CA 1.519 56.337 54.840 -0.037 0.000 0.749 85 L CB -0.980 41.061 42.059 -0.030 0.000 0.901 85 L HN 0.124 nan 8.230 nan 0.000 0.433 86 T N -0.315 114.220 114.554 -0.032 0.000 2.788 86 T HA -0.154 4.196 4.350 0.000 0.000 0.268 86 T C 2.104 176.801 174.700 -0.005 0.000 1.044 86 T CA 1.403 63.492 62.100 -0.019 0.000 1.139 86 T CB -0.030 68.817 68.868 -0.034 0.000 0.867 86 T HN 0.264 nan 8.240 nan 0.000 0.454 87 R N 0.642 121.136 120.500 -0.010 0.000 2.066 87 R HA -0.058 4.282 4.340 0.000 0.000 0.232 87 R C 2.206 178.508 176.300 0.002 0.000 1.131 87 R CA 1.678 57.781 56.100 0.004 0.000 0.955 87 R CB -0.302 29.996 30.300 -0.003 0.000 0.851 87 R HN 0.352 nan 8.270 nan 0.000 0.432 88 D N 0.818 121.206 120.400 -0.020 0.000 2.178 88 D HA -0.128 4.512 4.640 0.000 0.000 0.201 88 D C 1.965 178.228 176.300 -0.061 0.000 0.980 88 D CA 1.020 54.999 54.000 -0.036 0.000 0.842 88 D CB -0.141 40.629 40.800 -0.050 0.000 0.948 88 D HN 0.197 nan 8.370 nan 0.000 0.472 89 L N -0.040 121.132 121.223 -0.085 0.000 2.056 89 L HA 0.079 4.419 4.340 0.000 0.000 0.207 89 L C 1.349 178.233 176.870 0.022 0.000 1.078 89 L CA 0.760 55.505 54.840 -0.158 0.000 0.749 89 L CB -0.900 41.051 42.059 -0.179 0.000 0.901 89 L HN 0.138 nan 8.230 nan 0.000 0.433 90 G N -1.202 107.641 108.800 0.072 0.000 2.755 90 G HA2 -0.322 3.638 3.960 0.000 0.000 0.686 90 G HA3 -0.322 3.638 3.960 0.000 0.000 0.686 90 G C 0.071 175.084 174.900 0.189 0.000 1.427 90 G CA -0.040 45.140 45.100 0.134 0.000 0.873 90 G HN 0.140 nan 8.290 nan 0.000 0.580 91 F N 0.780 120.781 119.950 0.086 0.000 2.039 91 F HA -0.262 4.265 4.527 0.000 0.000 0.296 91 F C 2.483 178.352 175.800 0.114 0.000 1.119 91 F CA 3.042 61.093 58.000 0.085 0.000 1.211 91 F CB -0.213 38.825 39.000 0.062 0.000 0.956 91 F HN 0.622 nan 8.300 nan 0.000 0.496 92 D N -1.044 119.532 120.400 0.295 0.000 2.106 92 D HA -0.304 4.336 4.640 0.000 0.000 0.191 92 D C 2.079 178.430 176.300 0.084 0.000 0.997 92 D CA 2.184 56.299 54.000 0.191 0.000 0.834 92 D CB -0.953 40.011 40.800 0.273 0.000 0.956 92 D HN 0.496 nan 8.370 nan 0.000 0.448 93 Y N 1.763 122.087 120.300 0.040 0.000 2.097 93 Y HA -0.226 4.324 4.550 0.000 0.000 0.282 93 Y C 2.455 178.389 175.900 0.056 0.000 1.152 93 Y CA 1.438 59.582 58.100 0.073 0.000 1.136 93 Y CB -0.383 38.128 38.460 0.085 0.000 0.975 93 Y HN -0.098 nan 8.280 nan 0.000 0.498 94 L N 0.141 121.406 121.223 0.070 0.000 2.083 94 L HA -0.255 4.085 4.340 0.000 0.000 0.209 94 L C 2.676 179.430 176.870 -0.194 0.000 1.083 94 L CA 1.876 56.679 54.840 -0.062 0.000 0.752 94 L CB -0.881 41.125 42.059 -0.088 0.000 0.899 94 L HN 0.334 nan 8.230 nan 0.000 0.433 95 Q N 0.609 120.163 119.800 -0.410 0.000 2.084 95 Q HA -0.220 4.120 4.340 0.000 0.000 0.202 95 Q C 2.385 178.288 176.000 -0.161 0.000 0.978 95 Q CA 2.292 57.862 55.803 -0.390 0.000 0.844 95 Q CB -0.031 28.350 28.738 -0.596 0.000 0.898 95 Q HN 0.619 nan 8.270 nan 0.000 0.426 96 S N -0.309 115.338 115.700 -0.090 0.000 2.368 96 S HA -0.155 4.315 4.470 0.000 0.000 0.225 96 S C 1.786 176.397 174.600 0.017 0.000 1.030 96 S CA 0.985 59.200 58.200 0.024 0.000 0.999 96 S CB -0.785 62.452 63.200 0.062 0.000 0.844 96 S HN 0.444 nan 8.310 nan 0.000 0.459 97 F N 2.077 121.923 119.950 -0.175 0.000 2.146 97 F HA 0.195 4.722 4.527 0.000 0.000 0.298 97 F C 2.005 177.778 175.800 -0.044 0.000 1.096 97 F CA 0.614 58.529 58.000 -0.142 0.000 1.275 97 F CB -0.369 38.475 39.000 -0.260 0.000 1.008 97 F HN 0.159 nan 8.300 nan 0.000 0.480 98 I N -1.161 119.515 120.570 0.176 0.000 2.439 98 I HA -0.258 3.912 4.170 0.000 0.000 0.251 98 I C 2.087 178.267 176.117 0.106 0.000 1.139 98 I CA 1.380 62.785 61.300 0.174 0.000 1.438 98 I CB -0.654 37.371 38.000 0.041 0.000 1.085 98 I HN 0.054 nan 8.210 nan 0.000 0.427 99 T N -0.370 114.127 114.554 -0.096 0.000 2.732 99 T HA -0.126 4.224 4.350 0.000 0.000 0.261 99 T C 1.577 176.011 174.700 -0.443 0.000 1.040 99 T CA 1.520 63.413 62.100 -0.344 0.000 1.145 99 T CB -0.274 68.194 68.868 -0.667 0.000 0.866 99 T HN 0.219 nan 8.240 nan 0.000 0.427 100 Y N 1.080 121.349 120.300 -0.051 0.000 2.476 100 Y HA 0.397 4.947 4.550 0.000 0.000 0.283 100 Y C 1.911 177.727 175.900 -0.141 0.000 1.109 100 Y CA -0.095 57.938 58.100 -0.112 0.000 1.246 100 Y CB -0.601 37.752 38.460 -0.178 0.000 1.068 100 Y HN 0.426 nan 8.280 nan 0.000 0.552 101 G N 0.643 109.436 108.800 -0.013 0.000 2.598 101 G HA2 -0.039 3.921 3.960 0.000 0.000 0.244 101 G HA3 -0.039 3.921 3.960 0.000 0.000 0.244 101 G C -0.238 174.565 174.900 -0.162 0.000 1.302 101 G CA -0.040 45.065 45.100 0.009 0.000 0.903 101 G HN 0.937 nan 8.290 nan 0.000 0.575 102 S N -1.407 114.278 115.700 -0.024 0.000 2.578 102 S HA 0.731 5.201 4.470 0.000 0.000 0.272 102 S C -2.225 172.391 174.600 0.026 0.000 1.145 102 S CA 0.186 58.362 58.200 -0.039 0.000 0.835 102 S CB 2.143 65.338 63.200 -0.008 0.000 1.104 102 S HN 0.813 nan 8.310 nan 0.000 0.458 103 P HA 0.145 nan 4.420 nan 0.000 0.230 103 P C 1.179 178.512 177.300 0.054 0.000 1.158 103 P CA 1.051 64.168 63.100 0.028 0.000 0.769 103 P CB -0.351 31.357 31.700 0.013 0.000 0.807 104 A N -0.235 122.631 122.820 0.077 0.000 2.239 104 A HA 0.366 4.686 4.320 0.000 0.000 0.209 104 A C 1.704 179.348 177.584 0.101 0.000 1.171 104 A CA 1.044 53.135 52.037 0.090 0.000 0.768 104 A CB -1.117 17.950 19.000 0.112 0.000 0.790 104 A HN 0.299 nan 8.150 nan 0.000 0.478 105 G N -2.611 106.242 108.800 0.088 0.000 2.205 105 G HA2 -0.105 3.855 3.960 0.000 0.000 0.180 105 G HA3 -0.105 3.855 3.960 0.000 0.000 0.180 105 G C 0.033 174.945 174.900 0.021 0.000 1.004 105 G CA 0.131 45.271 45.100 0.066 0.000 0.670 105 G HN 0.566 nan 8.290 nan 0.000 0.496 106 M N 2.439 122.084 119.600 0.075 0.000 2.084 106 M HA 0.621 5.101 4.480 0.000 0.000 0.351 106 M C -2.347 173.925 176.300 -0.047 0.000 1.240 106 M CA -3.264 52.092 55.300 0.093 0.000 1.083 106 M CB 0.601 33.400 32.600 0.332 0.000 1.593 106 M HN -0.068 nan 8.290 nan 0.000 0.463 107 P HA 0.057 nan 4.420 nan 0.000 0.268 107 P C -0.987 176.052 177.300 -0.435 0.000 1.208 107 P CA 0.187 62.910 63.100 -0.629 0.000 0.777 107 P CB 0.193 30.979 31.700 -1.523 0.000 0.875 108 N N 2.119 120.624 118.700 -0.324 0.000 3.034 108 N HA 0.013 4.753 4.740 0.000 0.000 0.265 108 N C 0.339 175.764 175.510 -0.141 0.000 1.166 108 N CA -0.381 52.580 53.050 -0.149 0.000 1.081 108 N CB -0.349 38.102 38.487 -0.060 0.000 1.378 108 N HN 0.478 nan 8.380 nan 0.000 0.520 109 W N 1.649 122.926 121.300 -0.038 0.000 2.318 109 W HA -0.074 4.586 4.660 0.000 0.000 0.313 109 W C 2.303 178.794 176.519 -0.046 0.000 1.221 109 W CA 1.412 58.741 57.345 -0.027 0.000 1.266 109 W CB -0.398 29.041 29.460 -0.034 0.000 1.150 109 W HN 0.503 nan 8.180 nan 0.000 0.496 110 G N -0.197 108.669 108.800 0.111 0.000 2.434 110 G HA2 -0.267 3.693 3.960 0.000 0.000 0.214 110 G HA3 -0.267 3.693 3.960 0.000 0.000 0.214 110 G C 1.404 176.287 174.900 -0.029 0.000 1.202 110 G CA 2.048 47.142 45.100 -0.009 0.000 0.788 110 G HN 0.280 nan 8.290 nan 0.000 0.539 111 T N -0.075 114.435 114.554 -0.073 0.000 3.035 111 T HA -0.066 4.284 4.350 0.000 0.000 0.268 111 T C 2.438 177.144 174.700 0.009 0.000 1.109 111 T CA 1.696 63.783 62.100 -0.022 0.000 1.119 111 T CB -0.258 68.619 68.868 0.015 0.000 0.900 111 T HN 0.412 nan 8.240 nan 0.000 0.503 112 S N 0.717 116.422 115.700 0.009 0.000 2.496 112 S HA 0.379 4.849 4.470 0.000 0.000 0.224 112 S C 2.084 176.710 174.600 0.044 0.000 0.996 112 S CA 0.445 58.656 58.200 0.018 0.000 0.927 112 S CB -0.678 62.519 63.200 -0.006 0.000 0.774 112 S HN 1.130 nan 8.310 nan 0.000 0.524 113 G N 0.899 109.736 108.800 0.061 0.000 2.176 113 G HA2 -0.314 3.646 3.960 0.000 0.000 0.253 113 G HA3 -0.314 3.646 3.960 0.000 0.000 0.253 113 G C 0.527 175.496 174.900 0.114 0.000 0.979 113 G CA 0.512 45.655 45.100 0.072 0.000 0.641 113 G HN 0.500 nan 8.290 nan 0.000 0.530 114 E N -0.474 119.828 120.200 0.171 0.000 2.118 114 E HA 0.105 4.455 4.350 0.000 0.000 0.195 114 E C 1.185 177.971 176.600 0.310 0.000 0.992 114 E CA 0.972 57.541 56.400 0.283 0.000 0.804 114 E CB -0.026 29.911 29.700 0.395 0.000 0.741 114 E HN 0.589 nan 8.360 nan 0.000 0.458 115 L N 0.714 122.105 121.223 0.280 0.000 2.349 115 L HA 0.302 4.642 4.340 0.000 0.000 0.278 115 L C 0.019 176.942 176.870 0.090 0.000 0.996 115 L CA -0.905 54.019 54.840 0.139 0.000 0.825 115 L CB 1.784 43.883 42.059 0.068 0.000 1.243 115 L HN 0.038 nan 8.230 nan 0.000 0.412 116 S N 2.099 117.832 115.700 0.056 0.000 2.617 116 S HA 0.347 4.817 4.470 0.000 0.000 0.259 116 S C 1.412 176.031 174.600 0.031 0.000 1.301 116 S CA 0.058 58.283 58.200 0.043 0.000 0.984 116 S CB 1.410 64.632 63.200 0.037 0.000 0.954 116 S HN 0.727 nan 8.310 nan 0.000 0.572 117 A N 0.926 123.763 122.820 0.027 0.000 1.883 117 A HA -0.307 4.013 4.320 0.000 0.000 0.222 117 A C 2.091 179.693 177.584 0.030 0.000 1.339 117 A CA 2.443 54.495 52.037 0.025 0.000 0.692 117 A CB -1.887 17.131 19.000 0.030 0.000 0.845 117 A HN 1.035 nan 8.150 nan 0.000 0.467 118 E N -0.806 119.414 120.200 0.033 0.000 2.273 118 E HA -0.258 4.092 4.350 0.000 0.000 0.198 118 E C 2.134 178.749 176.600 0.026 0.000 1.002 118 E CA 1.345 57.767 56.400 0.038 0.000 0.828 118 E CB -0.125 29.595 29.700 0.033 0.000 0.747 118 E HN 0.813 nan 8.360 nan 0.000 0.491 119 Q N -0.662 119.140 119.800 0.004 0.000 2.311 119 Q HA -0.065 4.275 4.340 0.000 0.000 0.203 119 Q C 2.155 178.126 176.000 -0.048 0.000 0.954 119 Q CA 0.709 56.492 55.803 -0.032 0.000 0.885 119 Q CB 0.408 29.114 28.738 -0.054 0.000 0.963 119 Q HN 0.186 nan 8.270 nan 0.000 0.471 120 V N 1.408 121.308 119.914 -0.023 0.000 2.343 120 V HA -0.275 3.845 4.120 0.000 0.000 0.247 120 V C 1.132 177.207 176.094 -0.031 0.000 1.051 120 V CA 2.259 64.533 62.300 -0.043 0.000 1.036 120 V CB -0.435 31.366 31.823 -0.037 0.000 0.654 120 V HN 0.356 nan 8.190 nan 0.000 0.451 121 D N 0.072 120.500 120.400 0.046 0.000 2.117 121 D HA -0.124 4.516 4.640 0.000 0.000 0.198 121 D C 2.116 178.517 176.300 0.167 0.000 0.982 121 D CA 0.980 55.083 54.000 0.173 0.000 0.828 121 D CB -0.252 40.709 40.800 0.269 0.000 0.967 121 D HN 0.298 nan 8.370 nan 0.000 0.464 122 L N 0.016 121.290 121.223 0.085 0.000 2.012 122 L HA -0.156 4.184 4.340 0.000 0.000 0.210 122 L C 1.965 178.862 176.870 0.046 0.000 1.073 122 L CA 0.794 55.673 54.840 0.065 0.000 0.748 122 L CB -0.289 41.773 42.059 0.004 0.000 0.891 122 L HN 0.129 nan 8.230 nan 0.000 0.431 123 M N -1.057 118.522 119.600 -0.035 0.000 2.686 123 M HA -0.018 4.462 4.480 0.000 0.000 0.246 123 M C 2.031 178.319 176.300 -0.021 0.000 1.096 123 M CA 0.902 56.161 55.300 -0.069 0.000 1.076 123 M CB -1.282 31.211 32.600 -0.178 0.000 1.504 123 M HN 0.261 nan 8.290 nan 0.000 0.524 124 A N 0.332 123.145 122.820 -0.012 0.000 1.887 124 A HA 0.017 4.337 4.320 0.000 0.000 0.210 124 A C 2.087 179.724 177.584 0.088 0.000 1.221 124 A CA 0.675 52.654 52.037 -0.098 0.000 0.635 124 A CB -0.266 18.450 19.000 -0.473 0.000 0.881 124 A HN 0.364 nan 8.150 nan 0.000 0.456 125 N N -0.939 117.902 118.700 0.235 0.000 2.084 125 N HA -0.186 4.554 4.740 0.000 0.000 0.190 125 N C 1.686 177.297 175.510 0.167 0.000 1.030 125 N CA 1.825 55.020 53.050 0.242 0.000 0.849 125 N CB -0.565 38.061 38.487 0.232 0.000 1.012 125 N HN 0.601 nan 8.380 nan 0.000 0.423 126 Y N 2.189 122.498 120.300 0.015 0.000 2.114 126 Y HA -0.155 4.395 4.550 -0.000 0.000 0.282 126 Y C 2.286 178.135 175.900 -0.086 0.000 1.165 126 Y CA 1.433 59.503 58.100 -0.050 0.000 1.148 126 Y CB -0.539 37.823 38.460 -0.163 0.000 0.972 126 Y HN 0.001 nan 8.280 nan 0.000 0.504 127 L N -0.254 121.001 121.223 0.053 0.000 2.261 127 L HA -0.253 4.087 4.340 0.000 0.000 0.216 127 L C 2.249 179.054 176.870 -0.109 0.000 1.114 127 L CA 1.094 55.890 54.840 -0.074 0.000 0.777 127 L CB -0.540 41.503 42.059 -0.027 0.000 0.910 127 L HN 0.366 nan 8.230 nan 0.000 0.440 128 L N -0.827 120.367 121.223 -0.047 0.000 2.240 128 L HA -0.054 4.286 4.340 0.000 0.000 0.211 128 L C 1.273 178.099 176.870 -0.073 0.000 1.106 128 L CA 0.253 55.076 54.840 -0.029 0.000 0.793 128 L CB -0.256 41.825 42.059 0.037 0.000 0.927 128 L HN 0.158 nan 8.230 nan 0.000 0.446 129 L N -0.572 120.579 121.223 -0.120 0.000 2.468 129 L HA 0.050 4.390 4.340 0.000 0.000 0.253 129 L C 0.331 177.095 176.870 -0.176 0.000 1.237 129 L CA -0.198 54.565 54.840 -0.130 0.000 0.823 129 L CB 0.099 42.098 42.059 -0.101 0.000 1.124 129 L HN 0.052 nan 8.230 nan 0.000 0.504 130 D N 0.195 120.517 120.400 -0.130 0.000 2.339 130 D HA 0.194 4.834 4.640 0.000 0.000 0.245 130 D C -2.170 174.041 176.300 -0.149 0.000 1.115 130 D CA -0.929 52.998 54.000 -0.122 0.000 0.917 130 D CB 1.034 41.787 40.800 -0.079 0.000 1.192 130 D HN 0.261 nan 8.370 nan 0.000 0.428 131 P HA 0.057 nan 4.420 nan 0.000 0.261 131 P C -0.626 176.656 177.300 -0.030 0.000 1.203 131 P CA -0.011 63.007 63.100 -0.137 0.000 0.767 131 P CB 0.269 31.911 31.700 -0.096 0.000 0.785 132 A N 4.007 126.846 122.820 0.031 0.000 2.429 132 A HA 0.454 4.774 4.320 0.000 0.000 0.242 132 A C 0.561 178.267 177.584 0.204 0.000 1.088 132 A CA 0.018 52.182 52.037 0.213 0.000 0.784 132 A CB -0.122 19.128 19.000 0.416 0.000 1.038 132 A HN 0.575 nan 8.150 nan 0.000 0.501 133 A N 1.927 124.851 122.820 0.173 0.000 2.409 133 A HA 0.557 4.877 4.320 0.000 0.000 0.267 133 A C -2.328 175.293 177.584 0.062 0.000 1.127 133 A CA -1.261 50.834 52.037 0.096 0.000 0.795 133 A CB -0.651 18.398 19.000 0.081 0.000 1.061 133 A HN 0.586 nan 8.150 nan 0.000 0.502 134 P HA 0.228 nan 4.420 nan 0.000 0.267 134 P C -2.318 174.937 177.300 -0.075 0.000 1.205 134 P CA -0.638 62.275 63.100 -0.310 0.000 0.765 134 P CB 0.274 31.584 31.700 -0.649 0.000 0.828 135 P HA 0.221 nan 4.420 nan 0.000 0.278 135 P C -0.299 177.123 177.300 0.204 0.000 1.266 135 P CA -0.280 62.813 63.100 -0.013 0.000 0.807 135 P CB 1.052 32.663 31.700 -0.147 0.000 1.094 136 E N -0.189 120.079 120.200 0.113 0.000 2.322 136 E HA 0.349 4.699 4.350 0.000 0.000 0.257 136 E C -0.995 175.669 176.600 0.105 0.000 1.155 136 E CA -0.208 56.226 56.400 0.056 0.000 0.936 136 E CB 0.446 30.142 29.700 -0.006 0.000 1.130 136 E HN 0.413 nan 8.360 nan 0.000 0.465 137 F N 0.244 120.142 119.950 -0.088 0.000 3.094 137 F HA 0.369 4.896 4.527 0.000 0.000 0.385 137 F C 0.124 175.877 175.800 -0.078 0.000 1.231 137 F CA -0.328 57.637 58.000 -0.057 0.000 1.207 137 F CB 0.673 39.647 39.000 -0.044 0.000 1.703 137 F HN 0.423 nan 8.300 nan 0.000 0.610 138 G N 2.210 110.922 108.800 -0.146 0.000 2.583 138 G HA2 0.280 4.240 3.960 0.000 0.000 0.280 138 G HA3 0.280 4.240 3.960 0.000 0.000 0.280 138 G C 0.763 175.593 174.900 -0.117 0.000 1.376 138 G CA -0.499 44.542 45.100 -0.097 0.000 1.043 138 G HN 0.524 nan 8.290 nan 0.000 0.538 139 M N -0.225 119.323 119.600 -0.088 0.000 2.106 139 M HA -0.048 4.432 4.480 0.000 0.000 0.259 139 M C 2.297 178.549 176.300 -0.079 0.000 1.068 139 M CA 1.937 57.192 55.300 -0.075 0.000 1.100 139 M CB -0.442 32.118 32.600 -0.067 0.000 1.351 139 M HN 0.613 nan 8.290 nan 0.000 0.404 140 K N -0.580 119.761 120.400 -0.098 0.000 2.057 140 K HA -0.206 4.114 4.320 0.000 0.000 0.207 140 K C 1.615 178.136 176.600 -0.133 0.000 1.049 140 K CA 1.944 58.178 56.287 -0.088 0.000 0.931 140 K CB -0.063 32.387 32.500 -0.084 0.000 0.714 140 K HN 0.386 nan 8.250 nan 0.000 0.440 141 E N 0.440 120.473 120.200 -0.279 0.000 2.072 141 E HA -0.123 4.227 4.350 0.000 0.000 0.191 141 E C 1.990 178.408 176.600 -0.304 0.000 0.985 141 E CA 1.448 57.564 56.400 -0.475 0.000 0.801 141 E CB -0.096 28.952 29.700 -1.087 0.000 0.750 141 E HN 0.319 nan 8.360 nan 0.000 0.452 142 M N 0.179 119.694 119.600 -0.142 0.000 2.132 142 M HA -0.092 4.388 4.480 0.000 0.000 0.263 142 M C 2.151 178.542 176.300 0.151 0.000 1.065 142 M CA 1.443 56.833 55.300 0.150 0.000 1.122 142 M CB -0.236 32.444 32.600 0.134 0.000 1.365 142 M HN 0.001 nan 8.290 nan 0.000 0.411 143 R N 0.063 120.622 120.500 0.098 0.000 2.120 143 R HA -0.134 4.206 4.340 0.000 0.000 0.234 143 R C 2.198 178.632 176.300 0.224 0.000 1.123 143 R CA 1.126 57.360 56.100 0.223 0.000 0.975 143 R CB -0.434 29.967 30.300 0.169 0.000 0.866 143 R HN 0.425 nan 8.270 nan 0.000 0.446 144 E N 1.178 121.444 120.200 0.111 0.000 2.152 144 E HA -0.138 4.212 4.350 0.000 0.000 0.192 144 E C 1.609 178.276 176.600 0.112 0.000 0.983 144 E CA 1.652 58.100 56.400 0.080 0.000 0.818 144 E CB 0.126 29.841 29.700 0.026 0.000 0.758 144 E HN 0.315 nan 8.360 nan 0.000 0.467 145 S N -0.564 115.236 115.700 0.167 0.000 2.470 145 S HA -0.079 4.391 4.470 0.000 0.000 0.225 145 S C 0.682 175.414 174.600 0.220 0.000 1.006 145 S CA -0.225 58.094 58.200 0.198 0.000 0.934 145 S CB -0.638 62.730 63.200 0.280 0.000 0.778 145 S HN 0.358 nan 8.310 nan 0.000 0.517 146 W N 3.591 124.910 121.300 0.031 0.000 2.368 146 W HA 0.509 5.169 4.660 -0.000 0.000 0.316 146 W C -0.550 175.939 176.519 -0.050 0.000 1.375 146 W CA -1.020 56.321 57.345 -0.006 0.000 1.261 146 W CB 0.006 29.465 29.460 -0.003 0.000 1.298 146 W HN 0.016 nan 8.180 nan 0.000 0.539 147 K N 4.711 124.894 120.400 -0.362 0.000 2.443 147 K HA 0.464 4.784 4.320 0.000 0.000 0.252 147 K C -1.436 174.713 176.600 -0.751 0.000 0.933 147 K CA -1.006 54.925 56.287 -0.595 0.000 0.792 147 K CB 2.333 34.591 32.500 -0.403 0.000 1.185 147 K HN 0.109 nan 8.250 nan 0.000 0.425 148 V N 4.970 124.440 119.914 -0.740 0.000 2.294 148 V HA 0.101 4.221 4.120 0.000 0.000 0.272 148 V C 0.752 176.618 176.094 -0.380 0.000 1.027 148 V CA -0.547 61.455 62.300 -0.497 0.000 0.823 148 V CB 0.457 32.048 31.823 -0.386 0.000 1.030 148 V HN 0.818 nan 8.190 nan 0.000 0.457 149 H N 3.045 122.054 119.070 -0.101 0.000 2.326 149 H HA 0.076 4.632 4.556 0.000 0.000 0.301 149 H C 0.499 175.793 175.328 -0.056 0.000 1.081 149 H CA 1.234 57.240 56.048 -0.071 0.000 1.334 149 H CB 0.463 30.197 29.762 -0.046 0.000 1.385 149 H HN 0.401 nan 8.280 nan 0.000 0.504 150 V N 1.409 121.358 119.914 0.058 0.000 2.376 150 V HA 0.483 4.603 4.120 0.000 0.000 0.287 150 V C 0.252 176.346 176.094 -0.001 0.000 1.015 150 V CA -1.011 61.306 62.300 0.028 0.000 0.834 150 V CB 1.199 33.048 31.823 0.043 0.000 1.001 150 V HN 0.376 nan 8.190 nan 0.000 0.428 151 A N 6.903 129.715 122.820 -0.013 0.000 2.466 151 A HA 0.453 4.773 4.320 0.000 0.000 0.238 151 A C -1.131 176.459 177.584 0.010 0.000 1.074 151 A CA -0.702 51.328 52.037 -0.013 0.000 0.774 151 A CB -0.023 18.968 19.000 -0.015 0.000 1.015 151 A HN 0.679 nan 8.150 nan 0.000 0.498 152 P HA -0.175 nan 4.420 nan 0.000 0.216 152 P C 0.779 178.100 177.300 0.036 0.000 1.150 152 P CA 1.703 64.821 63.100 0.030 0.000 0.843 152 P CB 0.074 31.787 31.700 0.021 0.000 0.787 153 E N -0.244 119.970 120.200 0.025 0.000 2.160 153 E HA -0.162 4.188 4.350 0.000 0.000 0.195 153 E C 1.100 177.716 176.600 0.027 0.000 0.991 153 E CA 1.239 57.653 56.400 0.024 0.000 0.810 153 E CB -0.955 28.754 29.700 0.015 0.000 0.742 153 E HN 0.369 nan 8.360 nan 0.000 0.466 154 D N 0.299 120.714 120.400 0.025 0.000 2.325 154 D HA 0.063 4.703 4.640 0.000 0.000 0.225 154 D C 0.081 176.402 176.300 0.036 0.000 1.096 154 D CA 0.141 54.156 54.000 0.025 0.000 0.844 154 D CB 0.149 40.959 40.800 0.016 0.000 0.925 154 D HN 0.107 nan 8.370 nan 0.000 0.513 155 R N 1.018 121.549 120.500 0.052 0.000 2.573 155 R HA 0.431 4.771 4.340 0.000 0.000 0.272 155 R C -2.288 174.065 176.300 0.088 0.000 1.009 155 R CA -1.637 54.506 56.100 0.072 0.000 1.059 155 R CB 0.286 30.643 30.300 0.096 0.000 1.112 155 R HN -0.124 nan 8.270 nan 0.000 0.517 156 P HA -0.034 nan 4.420 nan 0.000 0.269 156 P C 0.238 177.661 177.300 0.205 0.000 1.211 156 P CA 0.193 63.369 63.100 0.126 0.000 0.781 156 P CB 0.460 32.239 31.700 0.131 0.000 0.877 157 T N -2.587 112.060 114.554 0.154 0.000 3.069 157 T HA 0.177 4.527 4.350 0.000 0.000 0.252 157 T C 0.372 175.167 174.700 0.158 0.000 1.053 157 T CA -0.172 62.040 62.100 0.187 0.000 0.964 157 T CB -0.279 68.642 68.868 0.089 0.000 1.005 157 T HN 0.662 nan 8.240 nan 0.000 0.532 158 Q N -0.203 119.579 119.800 -0.030 0.000 2.578 158 Q HA 0.330 4.670 4.340 0.000 0.000 0.284 158 Q C -1.312 174.224 176.000 -0.774 0.000 0.960 158 Q CA -1.163 54.283 55.803 -0.594 0.000 0.809 158 Q CB 0.981 29.494 28.738 -0.374 0.000 1.462 158 Q HN 0.122 nan 8.270 nan 0.000 0.392 159 Q N 0.766 119.735 119.800 -1.386 0.000 2.262 159 Q HA -0.069 4.271 4.340 0.000 0.000 0.298 159 Q C -0.422 175.316 176.000 -0.436 0.000 1.083 159 Q CA 0.833 56.054 55.803 -0.969 0.000 0.962 159 Q CB 0.495 28.726 28.738 -0.845 0.000 1.104 159 Q HN 0.696 nan 8.270 nan 0.000 0.376 160 E N 3.546 123.585 120.200 -0.269 0.000 2.496 160 E HA 0.089 4.439 4.350 0.000 0.000 0.200 160 E C -0.529 175.953 176.600 -0.197 0.000 1.016 160 E CA -0.128 56.158 56.400 -0.190 0.000 0.962 160 E CB 0.215 29.844 29.700 -0.119 0.000 1.071 160 E HN 0.629 nan 8.360 nan 0.000 0.457 161 N N 0.087 118.631 118.700 -0.260 0.000 2.509 161 N HA 0.109 4.849 4.740 0.000 0.000 0.280 161 N C -0.497 174.933 175.510 -0.133 0.000 1.306 161 N CA -0.568 52.317 53.050 -0.274 0.000 0.782 161 N CB 1.427 39.502 38.487 -0.687 0.000 1.493 161 N HN -0.184 nan 8.380 nan 0.000 0.498 162 D N -1.339 119.088 120.400 0.045 0.000 2.358 162 D HA 0.113 4.753 4.640 0.000 0.000 0.224 162 D C -0.492 175.966 176.300 0.263 0.000 1.123 162 D CA -0.395 53.674 54.000 0.115 0.000 0.833 162 D CB -0.132 40.732 40.800 0.107 0.000 0.946 162 D HN 0.362 nan 8.370 nan 0.000 0.505 163 W N 1.101 122.395 121.300 -0.009 0.000 2.112 163 W HA 0.284 4.944 4.660 0.000 0.000 0.349 163 W C 0.766 177.289 176.519 0.007 0.000 1.289 163 W CA -0.970 56.380 57.345 0.008 0.000 1.256 163 W CB 0.010 29.487 29.460 0.029 0.000 1.148 163 W HN -0.099 nan 8.180 nan 0.000 0.590 164 D N 2.292 122.835 120.400 0.239 0.000 2.522 164 D HA 0.123 4.763 4.640 0.000 0.000 0.218 164 D C 1.272 177.681 176.300 0.181 0.000 1.149 164 D CA 0.060 54.148 54.000 0.147 0.000 0.981 164 D CB 0.022 40.869 40.800 0.079 0.000 1.041 164 D HN 0.285 nan 8.370 nan 0.000 0.518 165 L N 1.713 123.063 121.223 0.213 0.000 2.043 165 L HA -0.179 4.161 4.340 0.000 0.000 0.212 165 L C 1.975 178.950 176.870 0.175 0.000 1.075 165 L CA 1.182 56.158 54.840 0.228 0.000 0.752 165 L CB -0.276 41.921 42.059 0.229 0.000 0.891 165 L HN 0.359 nan 8.230 nan 0.000 0.432 166 E N -0.265 120.031 120.200 0.159 0.000 2.347 166 E HA -0.174 4.176 4.350 0.000 0.000 0.196 166 E C 1.135 177.800 176.600 0.108 0.000 1.008 166 E CA 0.660 57.164 56.400 0.174 0.000 0.852 166 E CB -0.099 29.741 29.700 0.232 0.000 0.783 166 E HN 0.347 nan 8.360 nan 0.000 0.505 167 N N 0.390 119.134 118.700 0.073 0.000 2.235 167 N HA 0.033 4.773 4.740 0.000 0.000 0.209 167 N C -0.585 174.966 175.510 0.068 0.000 1.122 167 N CA -0.138 52.937 53.050 0.042 0.000 0.845 167 N CB 0.308 38.829 38.487 0.056 0.000 1.004 167 N HN -0.026 nan 8.380 nan 0.000 0.499 168 L N 0.687 121.949 121.223 0.065 0.000 2.395 168 L HA 0.416 4.756 4.340 0.000 0.000 0.269 168 L C -0.903 175.971 176.870 0.007 0.000 1.133 168 L CA 0.025 54.933 54.840 0.113 0.000 0.812 168 L CB 0.209 42.364 42.059 0.159 0.000 1.125 168 L HN -0.063 nan 8.230 nan 0.000 0.452 169 F N 2.443 122.323 119.950 -0.116 0.000 2.458 169 F HA 0.401 4.928 4.527 0.000 0.000 0.336 169 F C 0.378 176.165 175.800 -0.022 0.000 1.114 169 F CA -0.379 57.516 58.000 -0.175 0.000 0.987 169 F CB 1.849 40.578 39.000 -0.452 0.000 1.130 169 F HN 0.389 nan 8.300 nan 0.000 0.458 170 S N 3.597 119.390 115.700 0.155 0.000 2.448 170 S HA 0.671 5.141 4.470 0.000 0.000 0.320 170 S C -0.988 173.720 174.600 0.181 0.000 1.071 170 S CA -0.500 57.805 58.200 0.174 0.000 1.113 170 S CB 0.147 63.449 63.200 0.171 0.000 0.972 170 S HN 0.349 nan 8.310 nan 0.000 0.465 171 V N 5.080 125.084 119.914 0.150 0.000 2.435 171 V HA 0.397 4.517 4.120 0.000 0.000 0.290 171 V C 0.541 176.682 176.094 0.079 0.000 1.030 171 V CA -0.798 61.563 62.300 0.102 0.000 0.881 171 V CB 1.720 33.610 31.823 0.112 0.000 0.983 171 V HN 0.819 nan 8.190 nan 0.000 0.445 172 T N 6.619 121.198 114.554 0.042 0.000 2.752 172 T HA 0.344 4.694 4.350 0.000 0.000 0.295 172 T C 0.226 174.922 174.700 -0.007 0.000 0.923 172 T CA 0.038 62.151 62.100 0.022 0.000 1.112 172 T CB -0.087 68.769 68.868 -0.019 0.000 0.884 172 T HN 0.403 nan 8.240 nan 0.000 0.525 173 L N 4.908 126.146 121.223 0.025 0.000 2.475 173 L HA 0.329 4.669 4.340 0.000 0.000 0.253 173 L C 2.031 178.928 176.870 0.046 0.000 1.137 173 L CA -0.672 54.187 54.840 0.033 0.000 1.058 173 L CB -0.019 42.070 42.059 0.050 0.000 1.382 173 L HN 0.639 nan 8.230 nan 0.000 0.416 174 R N 1.349 121.860 120.500 0.018 0.000 2.222 174 R HA -0.237 4.103 4.340 0.000 0.000 0.235 174 R C 0.727 177.098 176.300 0.119 0.000 1.112 174 R CA 2.468 58.600 56.100 0.053 0.000 0.897 174 R CB 0.057 30.364 30.300 0.013 0.000 0.882 174 R HN 0.595 nan 8.270 nan 0.000 0.429 175 D N -1.051 119.434 120.400 0.140 0.000 2.349 175 D HA 0.040 4.680 4.640 0.000 0.000 0.224 175 D C 0.836 177.225 176.300 0.148 0.000 1.029 175 D CA 0.712 54.800 54.000 0.147 0.000 0.879 175 D CB 0.388 41.277 40.800 0.148 0.000 0.906 175 D HN 0.383 nan 8.370 nan 0.000 0.528 176 A N -0.426 122.470 122.820 0.126 0.000 2.390 176 A HA 0.466 4.786 4.320 0.000 0.000 0.232 176 A C 1.658 179.289 177.584 0.078 0.000 1.233 176 A CA 0.532 52.632 52.037 0.103 0.000 0.907 176 A CB 0.081 19.123 19.000 0.071 0.000 0.967 176 A HN 0.130 nan 8.150 nan 0.000 0.512 177 G N -0.262 108.598 108.800 0.100 0.000 2.249 177 G HA2 -0.246 3.714 3.960 0.000 0.000 0.273 177 G HA3 -0.246 3.714 3.960 0.000 0.000 0.273 177 G C -0.111 174.785 174.900 -0.006 0.000 1.036 177 G CA 0.807 45.928 45.100 0.035 0.000 0.824 177 G HN 0.716 nan 8.290 nan 0.000 0.504 178 Q N -1.462 118.354 119.800 0.027 0.000 2.553 178 Q HA 0.751 5.091 4.340 0.000 0.000 0.293 178 Q C -0.179 175.850 176.000 0.048 0.000 1.038 178 Q CA -1.044 54.775 55.803 0.027 0.000 0.777 178 Q CB 1.921 30.674 28.738 0.024 0.000 1.487 178 Q HN 0.748 nan 8.270 nan 0.000 0.426 179 I N -2.159 118.445 120.570 0.056 0.000 2.740 179 I HA 0.933 5.103 4.170 0.000 0.000 0.303 179 I C -1.137 175.029 176.117 0.080 0.000 1.044 179 I CA -0.853 60.491 61.300 0.074 0.000 1.064 179 I CB 2.104 40.157 38.000 0.087 0.000 1.249 179 I HN 0.574 nan 8.210 nan 0.000 0.433 180 A N 6.052 128.927 122.820 0.091 0.000 2.331 180 A HA 0.817 5.137 4.320 0.000 0.000 0.320 180 A C -0.812 176.840 177.584 0.113 0.000 1.138 180 A CA -0.634 51.458 52.037 0.092 0.000 0.790 180 A CB 0.811 19.861 19.000 0.084 0.000 1.206 180 A HN 0.788 nan 8.150 nan 0.000 0.470 181 L N 3.697 124.982 121.223 0.104 0.000 2.262 181 L HA 0.476 4.816 4.340 0.000 0.000 0.288 181 L C -0.768 176.119 176.870 0.029 0.000 1.035 181 L CA -0.024 54.881 54.840 0.109 0.000 0.820 181 L CB 0.743 42.907 42.059 0.175 0.000 1.204 181 L HN 0.567 nan 8.230 nan 0.000 0.424 182 I N 2.304 122.934 120.570 0.100 0.000 2.433 182 I HA 0.214 4.384 4.170 0.000 0.000 0.292 182 I C 0.008 176.204 176.117 0.132 0.000 1.001 182 I CA -0.692 60.676 61.300 0.114 0.000 1.119 182 I CB 2.115 40.271 38.000 0.260 0.000 1.289 182 I HN 0.512 nan 8.210 nan 0.000 0.438 183 D N 4.868 125.278 120.400 0.016 0.000 2.434 183 D HA 0.001 4.641 4.640 0.000 0.000 0.252 183 D C 1.180 177.553 176.300 0.122 0.000 1.185 183 D CA 0.322 54.319 54.000 -0.007 0.000 0.886 183 D CB 1.735 42.453 40.800 -0.137 0.000 1.148 183 D HN 0.824 nan 8.370 nan 0.000 0.483 184 G N 2.884 111.792 108.800 0.180 0.000 2.559 184 G HA2 -0.039 3.921 3.960 0.000 0.000 0.216 184 G HA3 -0.039 3.921 3.960 0.000 0.000 0.216 184 G C 1.061 175.987 174.900 0.044 0.000 1.126 184 G CA 0.803 46.072 45.100 0.282 0.000 0.778 184 G HN 0.569 nan 8.290 nan 0.000 0.543 185 A N -0.070 122.627 122.820 -0.204 0.000 2.070 185 A HA 0.254 4.574 4.320 0.000 0.000 0.202 185 A C 2.283 179.402 177.584 -0.774 0.000 1.277 185 A CA 1.609 53.402 52.037 -0.407 0.000 0.872 185 A CB -0.063 18.826 19.000 -0.186 0.000 0.933 185 A HN 0.366 nan 8.150 nan 0.000 0.475 186 T N -5.616 108.601 114.554 -0.562 0.000 3.069 186 T HA 0.179 4.529 4.350 0.000 0.000 0.252 186 T C 0.448 174.892 174.700 -0.427 0.000 1.053 186 T CA 0.590 62.414 62.100 -0.460 0.000 0.964 186 T CB -0.588 68.148 68.868 -0.220 0.000 1.005 186 T HN 0.595 nan 8.240 nan 0.000 0.532 187 Y N 1.631 121.812 120.300 -0.198 0.000 4.409 187 Y HA -0.236 4.314 4.550 0.000 0.000 0.228 187 Y C 0.248 176.057 175.900 -0.152 0.000 1.108 187 Y CA 0.166 58.108 58.100 -0.263 0.000 1.955 187 Y CB -2.895 35.151 38.460 -0.690 0.000 1.615 187 Y HN 0.726 nan 8.280 nan 0.000 0.665 188 E N 0.369 120.549 120.200 -0.033 0.000 2.266 188 E HA 0.583 4.933 4.350 0.000 0.000 0.277 188 E C -0.146 176.425 176.600 -0.048 0.000 1.018 188 E CA -0.945 55.434 56.400 -0.034 0.000 0.840 188 E CB 1.444 31.103 29.700 -0.068 0.000 1.082 188 E HN 0.357 nan 8.360 nan 0.000 0.395 189 I N 3.950 124.504 120.570 -0.027 0.000 2.483 189 I HA -0.054 4.116 4.170 0.000 0.000 0.291 189 I C 1.220 177.276 176.117 -0.102 0.000 1.112 189 I CA -0.106 61.175 61.300 -0.032 0.000 1.350 189 I CB 0.277 38.281 38.000 0.006 0.000 1.419 189 I HN 0.556 nan 8.210 nan 0.000 0.523 190 K N 3.220 123.490 120.400 -0.217 0.000 2.103 190 K HA 0.033 4.353 4.320 0.000 0.000 0.204 190 K C 0.735 177.238 176.600 -0.162 0.000 1.052 190 K CA 0.746 56.780 56.287 -0.421 0.000 0.945 190 K CB 0.154 31.995 32.500 -1.098 0.000 0.722 190 K HN 0.564 nan 8.250 nan 0.000 0.443 191 S N -0.355 115.322 115.700 -0.039 0.000 2.543 191 S HA 0.331 4.801 4.470 0.000 0.000 0.274 191 S C -1.745 172.908 174.600 0.088 0.000 1.149 191 S CA -0.796 57.463 58.200 0.099 0.000 0.866 191 S CB 1.700 65.065 63.200 0.274 0.000 1.111 191 S HN -0.129 nan 8.310 nan 0.000 0.457 192 V N 4.865 124.827 119.914 0.080 0.000 2.378 192 V HA 0.566 4.686 4.120 0.000 0.000 0.288 192 V C -0.667 175.466 176.094 0.064 0.000 1.016 192 V CA -0.487 61.853 62.300 0.066 0.000 0.840 192 V CB 1.107 32.959 31.823 0.049 0.000 0.994 192 V HN 0.756 nan 8.190 nan 0.000 0.431 193 L N 3.634 124.896 121.223 0.064 0.000 2.362 193 L HA 0.605 4.945 4.340 0.000 0.000 0.275 193 L C -0.675 176.213 176.870 0.029 0.000 0.998 193 L CA -0.836 54.034 54.840 0.050 0.000 0.820 193 L CB 2.223 44.321 42.059 0.065 0.000 1.270 193 L HN 0.486 nan 8.230 nan 0.000 0.415 194 D N 1.043 121.447 120.400 0.006 0.000 2.351 194 D HA 0.203 4.843 4.640 0.000 0.000 0.251 194 D C 0.913 177.205 176.300 -0.012 0.000 1.137 194 D CA 0.122 54.110 54.000 -0.020 0.000 0.879 194 D CB 1.889 42.661 40.800 -0.047 0.000 1.181 194 D HN 0.707 nan 8.370 nan 0.000 0.448 195 T N -0.564 113.981 114.554 -0.015 0.000 3.174 195 T HA 0.470 4.820 4.350 0.000 0.000 0.252 195 T C 0.825 175.517 174.700 -0.012 0.000 0.984 195 T CA 0.314 62.418 62.100 0.007 0.000 1.113 195 T CB 0.603 69.490 68.868 0.031 0.000 1.088 195 T HN 0.562 nan 8.240 nan 0.000 0.442 196 G N -0.010 108.763 108.800 -0.046 0.000 2.352 196 G HA2 0.367 4.327 3.960 0.000 0.000 0.305 196 G HA3 0.367 4.327 3.960 0.000 0.000 0.305 196 G C -1.715 173.160 174.900 -0.042 0.000 1.537 196 G CA -1.173 43.874 45.100 -0.089 0.000 0.959 196 G HN 0.267 nan 8.290 nan 0.000 0.668 197 Y N 0.556 120.883 120.300 0.044 0.000 2.805 197 Y HA 0.267 4.817 4.550 -0.000 0.000 0.337 197 Y C 1.549 177.481 175.900 0.053 0.000 1.252 197 Y CA 1.728 59.851 58.100 0.037 0.000 1.515 197 Y CB 0.805 39.288 38.460 0.038 0.000 1.305 197 Y HN 2.076 nan 8.280 nan 0.000 0.600 198 A N 0.573 123.540 122.820 0.246 0.000 2.905 198 A HA -0.171 4.149 4.320 0.000 0.000 0.260 198 A C 0.131 177.800 177.584 0.142 0.000 1.398 198 A CA 0.281 52.415 52.037 0.162 0.000 0.840 198 A CB -2.770 16.305 19.000 0.123 0.000 1.059 198 A HN 0.751 nan 8.150 nan 0.000 0.647 199 V N -1.440 118.553 119.914 0.132 0.000 2.790 199 V HA 0.171 4.291 4.120 0.000 0.000 0.304 199 V C 1.378 177.574 176.094 0.170 0.000 1.142 199 V CA 1.583 63.954 62.300 0.118 0.000 1.282 199 V CB 0.191 32.068 31.823 0.089 0.000 0.877 199 V HN 0.725 nan 8.190 nan 0.000 0.504 200 H N 3.894 122.987 119.070 0.038 0.000 2.247 200 H HA 0.528 5.084 4.556 0.000 0.000 0.267 200 H C 0.257 175.632 175.328 0.078 0.000 0.952 200 H CA 0.970 57.044 56.048 0.044 0.000 1.250 200 H CB 0.692 30.468 29.762 0.024 0.000 1.441 200 H HN 0.764 nan 8.280 nan 0.000 0.553 201 I N -1.582 119.032 120.570 0.074 0.000 3.074 201 I HA 0.638 4.808 4.170 0.000 0.000 0.310 201 I C -0.998 175.083 176.117 -0.060 0.000 1.153 201 I CA -0.780 60.511 61.300 -0.014 0.000 0.993 201 I CB 2.740 40.669 38.000 -0.119 0.000 1.237 201 I HN -0.055 nan 8.210 nan 0.000 0.443 202 S N 2.496 118.073 115.700 -0.204 0.000 2.503 202 S HA 0.762 5.232 4.470 0.000 0.000 0.301 202 S C -0.646 173.734 174.600 -0.366 0.000 1.087 202 S CA -0.792 57.319 58.200 -0.148 0.000 1.042 202 S CB 1.211 64.450 63.200 0.065 0.000 1.043 202 S HN 0.494 nan 8.310 nan 0.000 0.489 203 R N 1.624 122.050 120.500 -0.123 0.000 2.725 203 R HA 0.525 4.865 4.340 0.000 0.000 0.277 203 R C -1.580 174.771 176.300 0.085 0.000 0.987 203 R CA -0.795 55.240 56.100 -0.107 0.000 0.901 203 R CB 1.300 31.521 30.300 -0.132 0.000 1.207 203 R HN 0.411 nan 8.270 nan 0.000 0.463 204 L N 1.387 122.653 121.223 0.072 0.000 2.334 204 L HA 0.416 4.756 4.340 0.000 0.000 0.273 204 L C 0.843 177.810 176.870 0.163 0.000 1.013 204 L CA -0.339 54.587 54.840 0.144 0.000 0.816 204 L CB 1.847 43.950 42.059 0.072 0.000 1.278 204 L HN 0.810 nan 8.230 nan 0.000 0.431 205 S N 1.244 117.099 115.700 0.259 0.000 2.589 205 S HA 0.245 4.715 4.470 0.000 0.000 0.265 205 S C 1.238 175.882 174.600 0.074 0.000 1.342 205 S CA 0.102 58.424 58.200 0.203 0.000 1.005 205 S CB 0.969 64.362 63.200 0.321 0.000 0.909 205 S HN 0.710 nan 8.310 nan 0.000 0.555 206 A N 1.404 124.244 122.820 0.033 0.000 2.125 206 A HA -0.007 4.313 4.320 0.000 0.000 0.219 206 A C 2.258 179.839 177.584 -0.006 0.000 1.156 206 A CA 1.516 53.550 52.037 -0.004 0.000 0.671 206 A CB -1.231 17.757 19.000 -0.020 0.000 0.794 206 A HN 1.284 nan 8.150 nan 0.000 0.459 207 S N -2.628 113.069 115.700 -0.006 0.000 2.524 207 S HA 0.386 4.856 4.470 0.000 0.000 0.216 207 S C 1.477 176.077 174.600 0.001 0.000 0.987 207 S CA 1.032 59.226 58.200 -0.010 0.000 0.909 207 S CB -0.084 63.082 63.200 -0.056 0.000 0.781 207 S HN 1.822 nan 8.310 nan 0.000 0.521 208 G N 1.918 110.712 108.800 -0.009 0.000 2.179 208 G HA2 -0.343 3.617 3.960 0.000 0.000 0.260 208 G HA3 -0.343 3.617 3.960 0.000 0.000 0.260 208 G C 0.841 175.703 174.900 -0.064 0.000 0.977 208 G CA 0.432 45.539 45.100 0.013 0.000 0.641 208 G HN 0.559 nan 8.290 nan 0.000 0.533 209 R N -1.002 119.331 120.500 -0.278 0.000 2.093 209 R HA 0.177 4.517 4.340 0.000 0.000 0.224 209 R C 0.174 176.072 176.300 -0.671 0.000 1.101 209 R CA 0.727 56.404 56.100 -0.704 0.000 0.979 209 R CB 0.006 29.445 30.300 -1.436 0.000 0.877 209 R HN 0.350 nan 8.270 nan 0.000 0.441 210 Y N 0.551 120.726 120.300 -0.208 0.000 2.341 210 Y HA 0.303 4.853 4.550 0.000 0.000 0.337 210 Y C -0.475 175.312 175.900 -0.188 0.000 1.014 210 Y CA -1.357 56.588 58.100 -0.258 0.000 1.111 210 Y CB 1.614 39.897 38.460 -0.294 0.000 1.194 210 Y HN -0.027 nan 8.280 nan 0.000 0.462 211 L N 4.959 126.123 121.223 -0.100 0.000 2.287 211 L HA 0.639 4.979 4.340 0.000 0.000 0.287 211 L C -1.818 174.931 176.870 -0.200 0.000 1.022 211 L CA -0.560 54.254 54.840 -0.043 0.000 0.814 211 L CB -0.057 42.009 42.059 0.011 0.000 1.217 211 L HN 0.333 nan 8.230 nan 0.000 0.420 212 F N 5.146 125.105 119.950 0.015 0.000 2.458 212 F HA 0.672 5.199 4.527 -0.000 0.000 0.336 212 F C 0.108 175.894 175.800 -0.024 0.000 1.114 212 F CA -0.670 57.324 58.000 -0.010 0.000 0.987 212 F CB 2.022 40.999 39.000 -0.039 0.000 1.130 212 F HN 0.420 nan 8.300 nan 0.000 0.458 213 V N 4.901 124.901 119.914 0.144 0.000 2.823 213 V HA 0.764 4.884 4.120 0.000 0.000 0.312 213 V C -1.470 174.673 176.094 0.080 0.000 1.072 213 V CA -0.693 61.659 62.300 0.087 0.000 0.937 213 V CB 1.936 33.801 31.823 0.070 0.000 1.013 213 V HN 0.795 nan 8.190 nan 0.000 0.430 214 I N 3.844 124.448 120.570 0.057 0.000 2.647 214 I HA 0.906 5.076 4.170 0.000 0.000 0.295 214 I C 0.271 176.425 176.117 0.062 0.000 1.078 214 I CA -0.257 61.069 61.300 0.044 0.000 1.048 214 I CB 2.023 40.027 38.000 0.007 0.000 1.239 214 I HN 0.975 nan 8.210 nan 0.000 0.421 215 G N 4.618 113.448 108.800 0.049 0.000 2.597 215 G HA2 0.394 4.354 3.960 0.000 0.000 0.317 215 G HA3 0.394 4.354 3.960 0.000 0.000 0.317 215 G C 0.222 175.127 174.900 0.009 0.000 1.230 215 G CA -0.650 44.489 45.100 0.065 0.000 0.996 215 G HN 0.706 nan 8.290 nan 0.000 0.490 216 R N -0.347 120.152 120.500 -0.002 0.000 2.200 216 R HA -0.087 4.253 4.340 0.000 0.000 0.234 216 R C 1.366 177.642 176.300 -0.040 0.000 1.127 216 R CA 1.534 57.591 56.100 -0.070 0.000 0.989 216 R CB 0.088 30.357 30.300 -0.053 0.000 0.869 216 R HN 0.670 nan 8.270 nan 0.000 0.459 217 D N -0.980 119.422 120.400 0.005 0.000 2.328 217 D HA 0.026 4.666 4.640 0.000 0.000 0.226 217 D C 1.062 177.338 176.300 -0.041 0.000 1.066 217 D CA 0.753 54.758 54.000 0.010 0.000 0.861 217 D CB 0.199 41.033 40.800 0.057 0.000 0.912 217 D HN 0.257 nan 8.370 nan 0.000 0.521 218 G N 0.533 109.295 108.800 -0.063 0.000 2.157 218 G HA2 -0.318 3.642 3.960 0.000 0.000 0.248 218 G HA3 -0.318 3.642 3.960 0.000 0.000 0.248 218 G C 0.209 175.068 174.900 -0.067 0.000 0.979 218 G CA 0.186 45.223 45.100 -0.106 0.000 0.650 218 G HN 0.579 nan 8.290 nan 0.000 0.529 219 K N 0.872 121.264 120.400 -0.013 0.000 2.339 219 K HA 0.568 4.888 4.320 0.000 0.000 0.286 219 K C 0.051 176.673 176.600 0.037 0.000 1.050 219 K CA -0.320 55.983 56.287 0.027 0.000 0.956 219 K CB 1.063 33.594 32.500 0.051 0.000 0.990 219 K HN 0.230 nan 8.250 nan 0.000 0.475 220 V N 5.239 125.186 119.914 0.056 0.000 2.417 220 V HA 0.369 4.489 4.120 0.000 0.000 0.291 220 V C -0.709 175.444 176.094 0.097 0.000 1.024 220 V CA -0.949 61.397 62.300 0.077 0.000 0.861 220 V CB 1.556 33.427 31.823 0.079 0.000 0.985 220 V HN 0.834 nan 8.190 nan 0.000 0.436 221 N N 3.817 122.572 118.700 0.091 0.000 2.321 221 N HA 0.654 5.394 4.740 0.000 0.000 0.299 221 N C -0.746 174.770 175.510 0.011 0.000 1.048 221 N CA -0.484 52.605 53.050 0.066 0.000 0.836 221 N CB 2.012 40.532 38.487 0.053 0.000 1.269 221 N HN 0.760 nan 8.380 nan 0.000 0.486 222 M N 3.257 122.821 119.600 -0.060 0.000 2.167 222 M HA 0.539 5.019 4.480 0.000 0.000 0.333 222 M C -1.663 174.524 176.300 -0.187 0.000 1.030 222 M CA -0.487 54.636 55.300 -0.295 0.000 0.963 222 M CB 0.630 33.019 32.600 -0.353 0.000 1.589 222 M HN 0.472 nan 8.290 nan 0.000 0.431 223 I N 3.688 124.146 120.570 -0.188 0.000 2.433 223 I HA 0.294 4.464 4.170 0.000 0.000 0.292 223 I C -0.706 175.426 176.117 0.026 0.000 1.001 223 I CA -0.668 60.604 61.300 -0.046 0.000 1.119 223 I CB 1.862 39.855 38.000 -0.011 0.000 1.289 223 I HN 0.581 nan 8.210 nan 0.000 0.438 224 D N 6.350 126.787 120.400 0.063 0.000 2.347 224 D HA 0.242 4.882 4.640 0.000 0.000 0.235 224 D C 0.633 176.898 176.300 -0.057 0.000 1.149 224 D CA -0.085 53.936 54.000 0.035 0.000 0.850 224 D CB 1.136 41.999 40.800 0.106 0.000 1.061 224 D HN 0.420 nan 8.370 nan 0.000 0.487 225 L N 2.849 124.003 121.223 -0.114 0.000 2.610 225 L HA 0.035 4.375 4.340 0.000 0.000 0.232 225 L C 1.053 177.962 176.870 0.066 0.000 1.149 225 L CA 0.052 54.872 54.840 -0.034 0.000 0.872 225 L CB -0.000 42.080 42.059 0.036 0.000 0.992 225 L HN 0.481 nan 8.230 nan 0.000 0.447 226 W N -0.463 120.694 121.300 -0.240 0.000 3.077 226 W HA 0.200 4.860 4.660 0.000 0.000 0.266 226 W C 0.981 177.369 176.519 -0.218 0.000 1.300 226 W CA -0.910 56.300 57.345 -0.225 0.000 1.586 226 W CB -0.290 29.052 29.460 -0.197 0.000 1.103 226 W HN 0.003 nan 8.180 nan 0.000 0.652 227 M N 0.665 120.263 119.600 -0.004 0.000 2.240 227 M HA 0.000 4.480 4.480 0.000 0.000 0.333 227 M C 1.771 177.967 176.300 -0.174 0.000 1.110 227 M CA 0.405 55.668 55.300 -0.062 0.000 1.173 227 M CB 0.885 33.457 32.600 -0.046 0.000 1.458 227 M HN -0.164 nan 8.290 nan 0.000 0.458 228 K N 1.215 121.536 120.400 -0.132 0.000 2.020 228 K HA -0.162 4.158 4.320 0.000 0.000 0.212 228 K C -0.133 176.358 176.600 -0.180 0.000 1.050 228 K CA 1.590 57.786 56.287 -0.151 0.000 0.929 228 K CB 0.017 32.473 32.500 -0.075 0.000 0.714 228 K HN 0.615 nan 8.250 nan 0.000 0.443 229 E N 1.166 121.301 120.200 -0.109 0.000 2.121 229 E HA 0.199 4.549 4.350 0.000 0.000 0.255 229 E C -2.588 173.966 176.600 -0.076 0.000 0.906 229 E CA -2.227 54.134 56.400 -0.066 0.000 0.745 229 E CB 1.391 31.096 29.700 0.009 0.000 1.155 229 E HN 0.028 nan 8.360 nan 0.000 0.424 230 P HA -0.091 nan 4.420 nan 0.000 0.261 230 P C -0.338 176.967 177.300 0.008 0.000 1.173 230 P CA 0.472 63.520 63.100 -0.087 0.000 0.760 230 P CB 0.848 32.474 31.700 -0.124 0.000 0.783 231 T N 1.387 115.947 114.554 0.011 0.000 2.731 231 T HA 0.354 4.704 4.350 0.000 0.000 0.300 231 T C -0.866 173.848 174.700 0.025 0.000 1.283 231 T CA -0.485 61.628 62.100 0.020 0.000 1.005 231 T CB 0.699 69.570 68.868 0.004 0.000 1.420 231 T HN 0.113 nan 8.240 nan 0.000 0.503 232 T N 2.233 116.803 114.554 0.027 0.000 2.799 232 T HA 0.274 4.624 4.350 0.000 0.000 0.296 232 T C 1.589 176.360 174.700 0.119 0.000 0.947 232 T CA 0.159 62.295 62.100 0.061 0.000 1.141 232 T CB 0.505 69.424 68.868 0.086 0.000 0.891 232 T HN 0.607 nan 8.240 nan 0.000 0.533 233 V N 0.820 120.783 119.914 0.082 0.000 3.471 233 V HA 0.713 4.833 4.120 0.000 0.000 0.258 233 V C 0.613 176.729 176.094 0.037 0.000 1.192 233 V CA 0.317 62.666 62.300 0.080 0.000 1.116 233 V CB -0.653 31.191 31.823 0.034 0.000 0.792 233 V HN 0.917 nan 8.190 nan 0.000 0.459 234 A N 0.751 123.585 122.820 0.022 0.000 2.605 234 A HA 0.780 5.100 4.320 0.000 0.000 0.294 234 A C -0.909 176.696 177.584 0.035 0.000 1.062 234 A CA -0.208 51.801 52.037 -0.045 0.000 0.682 234 A CB 1.531 20.538 19.000 0.013 0.000 1.278 234 A HN 0.662 nan 8.150 nan 0.000 0.410 235 E N 0.728 120.949 120.200 0.036 0.000 2.433 235 E HA 0.872 5.222 4.350 0.000 0.000 0.278 235 E C -1.277 175.445 176.600 0.203 0.000 0.976 235 E CA -0.763 55.708 56.400 0.119 0.000 0.793 235 E CB 2.153 31.932 29.700 0.131 0.000 1.311 235 E HN 1.031 nan 8.360 nan 0.000 0.460 236 I N -0.308 120.373 120.570 0.184 0.000 2.890 236 I HA 0.346 4.516 4.170 0.000 0.000 0.301 236 I C -2.150 174.051 176.117 0.139 0.000 1.579 236 I CA -0.739 60.688 61.300 0.211 0.000 0.959 236 I CB 2.266 40.406 38.000 0.233 0.000 1.368 236 I HN 0.669 nan 8.210 nan 0.000 0.536 237 K N 4.389 124.884 120.400 0.160 0.000 2.292 237 K HA 0.534 4.854 4.320 0.000 0.000 0.257 237 K C -0.200 176.402 176.600 0.004 0.000 0.940 237 K CA -0.524 55.804 56.287 0.068 0.000 0.811 237 K CB 1.433 34.005 32.500 0.122 0.000 1.120 237 K HN 0.548 nan 8.250 nan 0.000 0.428 238 I N -0.105 120.353 120.570 -0.187 0.000 4.081 238 I HA 0.491 4.661 4.170 0.000 0.000 0.333 238 I C 0.246 176.116 176.117 -0.411 0.000 1.413 238 I CA -0.204 60.984 61.300 -0.187 0.000 1.110 238 I CB 1.186 39.130 38.000 -0.093 0.000 1.082 238 I HN 0.635 nan 8.210 nan 0.000 0.402 239 G N -0.240 108.046 108.800 -0.858 0.000 2.335 239 G HA2 0.286 4.246 3.960 0.000 0.000 0.291 239 G HA3 0.286 4.246 3.960 0.000 0.000 0.291 239 G C -0.372 174.193 174.900 -0.558 0.000 1.261 239 G CA 0.146 44.823 45.100 -0.704 0.000 0.871 239 G HN -0.157 nan 8.290 nan 0.000 0.491 240 S N -0.474 115.168 115.700 -0.096 0.000 2.499 240 S HA 0.306 4.776 4.470 0.000 0.000 0.225 240 S C 0.357 175.025 174.600 0.114 0.000 1.050 240 S CA 0.589 58.852 58.200 0.104 0.000 0.928 240 S CB 0.185 63.623 63.200 0.396 0.000 0.803 240 S HN 0.461 nan 8.310 nan 0.000 0.506 241 E N 0.172 120.457 120.200 0.141 0.000 2.263 241 E HA 0.713 5.063 4.350 0.000 0.000 0.268 241 E C -1.105 175.501 176.600 0.009 0.000 0.884 241 E CA -0.489 55.977 56.400 0.110 0.000 0.766 241 E CB 2.227 32.080 29.700 0.256 0.000 1.196 241 E HN 0.265 nan 8.360 nan 0.000 0.416 242 A N 2.187 124.918 122.820 -0.148 0.000 2.609 242 A HA 0.704 5.024 4.320 0.000 0.000 0.291 242 A C -0.330 177.027 177.584 -0.378 0.000 1.096 242 A CA -0.608 51.290 52.037 -0.232 0.000 0.684 242 A CB 1.525 20.444 19.000 -0.136 0.000 1.282 242 A HN 0.505 nan 8.150 nan 0.000 0.412 243 R N -0.467 119.814 120.500 -0.365 0.000 2.676 243 R HA 0.290 4.630 4.340 0.000 0.000 0.241 243 R C -0.107 176.132 176.300 -0.102 0.000 0.964 243 R CA 0.357 56.280 56.100 -0.295 0.000 1.054 243 R CB 0.527 30.558 30.300 -0.448 0.000 1.603 243 R HN 0.570 nan 8.270 nan 0.000 0.577 244 S N 0.883 116.519 115.700 -0.107 0.000 2.501 244 S HA 0.682 5.152 4.470 0.000 0.000 0.301 244 S C -0.702 173.823 174.600 -0.124 0.000 1.096 244 S CA -0.450 57.695 58.200 -0.092 0.000 1.063 244 S CB 1.916 65.064 63.200 -0.087 0.000 1.042 244 S HN 0.180 nan 8.310 nan 0.000 0.494 245 I N 2.020 122.501 120.570 -0.149 0.000 2.913 245 I HA 0.665 4.835 4.170 0.000 0.000 0.302 245 I C -1.698 174.271 176.117 -0.247 0.000 1.246 245 I CA -0.330 60.847 61.300 -0.205 0.000 1.010 245 I CB 2.193 40.105 38.000 -0.145 0.000 1.259 245 I HN 0.633 nan 8.210 nan 0.000 0.434 246 E N 2.874 122.866 120.200 -0.346 0.000 2.401 246 E HA 0.496 4.846 4.350 0.000 0.000 0.280 246 E C -1.556 174.851 176.600 -0.323 0.000 1.039 246 E CA -0.454 55.774 56.400 -0.287 0.000 0.814 246 E CB 1.902 31.477 29.700 -0.207 0.000 1.275 246 E HN 0.612 nan 8.360 nan 0.000 0.448 247 T N -0.475 113.994 114.554 -0.142 0.000 2.918 247 T HA 0.656 5.006 4.350 0.000 0.000 0.286 247 T C -0.165 174.622 174.700 0.145 0.000 1.026 247 T CA -0.583 61.471 62.100 -0.077 0.000 1.031 247 T CB 1.161 69.959 68.868 -0.117 0.000 1.046 247 T HN 0.547 nan 8.240 nan 0.000 0.479 248 S N 1.224 116.968 115.700 0.074 0.000 2.498 248 S HA 0.256 4.726 4.470 0.000 0.000 0.281 248 S C 0.253 174.804 174.600 -0.081 0.000 1.265 248 S CA -0.739 57.354 58.200 -0.177 0.000 1.071 248 S CB 0.301 63.192 63.200 -0.516 0.000 0.894 248 S HN 0.817 nan 8.310 nan 0.000 0.491 249 K N 1.031 121.348 120.400 -0.137 0.000 2.438 249 K HA 0.220 4.540 4.320 0.000 0.000 0.205 249 K C -0.132 176.294 176.600 -0.290 0.000 1.033 249 K CA -0.353 55.786 56.287 -0.247 0.000 1.089 249 K CB 0.370 32.604 32.500 -0.443 0.000 0.857 249 K HN 0.606 nan 8.250 nan 0.000 0.522 250 M N 2.493 122.035 119.600 -0.096 0.000 2.188 250 M HA 0.055 4.535 4.480 0.000 0.000 0.354 250 M C -0.017 176.356 176.300 0.122 0.000 1.342 250 M CA -0.180 55.108 55.300 -0.019 0.000 1.117 250 M CB 0.502 33.094 32.600 -0.013 0.000 1.670 250 M HN 0.051 nan 8.290 nan 0.000 0.466 251 E N 3.615 123.850 120.200 0.059 0.000 2.608 251 E HA 0.173 4.523 4.350 0.000 0.000 0.259 251 E C 0.892 177.556 176.600 0.107 0.000 0.951 251 E CA 1.396 57.832 56.400 0.060 0.000 0.945 251 E CB -0.002 29.713 29.700 0.024 0.000 0.916 251 E HN 1.008 nan 8.360 nan 0.000 0.477 252 G N 3.757 112.564 108.800 0.011 0.000 2.213 252 G HA2 -0.258 3.702 3.960 0.000 0.000 0.236 252 G HA3 -0.258 3.702 3.960 0.000 0.000 0.236 252 G C 0.071 174.755 174.900 -0.361 0.000 0.991 252 G CA 0.234 45.238 45.100 -0.160 0.000 0.629 252 G HN 0.656 nan 8.290 nan 0.000 0.517 253 W N 1.656 122.938 121.300 -0.030 0.000 2.818 253 W HA 0.620 5.280 4.660 -0.000 0.000 0.403 253 W C 0.358 176.815 176.519 -0.103 0.000 0.991 253 W CA -0.550 56.771 57.345 -0.040 0.000 1.925 253 W CB 0.544 30.051 29.460 0.078 0.000 1.166 253 W HN 0.132 nan 8.180 nan 0.000 0.605 254 E N 1.178 121.397 120.200 0.032 0.000 2.480 254 E HA -0.026 4.324 4.350 0.000 0.000 0.258 254 E C 0.465 177.053 176.600 -0.021 0.000 0.984 254 E CA 1.140 57.541 56.400 0.001 0.000 0.930 254 E CB 0.032 29.722 29.700 -0.017 0.000 0.936 254 E HN 0.044 nan 8.360 nan 0.000 0.466 255 D N 1.459 121.861 120.400 0.004 0.000 3.046 255 D HA -0.215 4.425 4.640 0.000 0.000 0.210 255 D C 0.953 177.211 176.300 -0.070 0.000 1.124 255 D CA 1.311 55.327 54.000 0.027 0.000 0.986 255 D CB -0.702 40.135 40.800 0.061 0.000 1.118 255 D HN 0.338 nan 8.370 nan 0.000 0.416 256 K N -0.827 119.484 120.400 -0.149 0.000 2.001 256 K HA 0.034 4.354 4.320 0.000 0.000 0.208 256 K C 0.226 176.436 176.600 -0.649 0.000 1.048 256 K CA 1.483 57.534 56.287 -0.393 0.000 0.932 256 K CB 0.138 32.483 32.500 -0.257 0.000 0.715 256 K HN 0.311 nan 8.250 nan 0.000 0.437 257 Y N -1.944 118.285 120.300 -0.117 0.000 2.609 257 Y HA 0.651 5.201 4.550 0.000 0.000 0.342 257 Y C -0.718 175.093 175.900 -0.148 0.000 1.058 257 Y CA -1.383 56.643 58.100 -0.123 0.000 1.055 257 Y CB 1.978 40.351 38.460 -0.145 0.000 1.292 257 Y HN -0.038 nan 8.280 nan 0.000 0.476 258 A N 1.718 124.508 122.820 -0.050 0.000 2.413 258 A HA 0.851 5.171 4.320 0.000 0.000 0.307 258 A C -1.707 175.604 177.584 -0.454 0.000 1.087 258 A CA -0.772 51.016 52.037 -0.415 0.000 0.750 258 A CB 1.471 20.013 19.000 -0.763 0.000 1.296 258 A HN 0.759 nan 8.150 nan 0.000 0.423 259 I N 0.658 120.802 120.570 -0.711 0.000 2.647 259 I HA 0.762 4.932 4.170 0.000 0.000 0.295 259 I C -0.375 175.472 176.117 -0.451 0.000 1.078 259 I CA -0.730 60.150 61.300 -0.701 0.000 1.048 259 I CB 1.957 39.167 38.000 -1.316 0.000 1.239 259 I HN 0.870 nan 8.210 nan 0.000 0.421 260 A N 4.678 127.337 122.820 -0.269 0.000 2.386 260 A HA 0.868 5.188 4.320 0.000 0.000 0.311 260 A C -0.621 176.903 177.584 -0.099 0.000 1.068 260 A CA -0.452 51.477 52.037 -0.179 0.000 0.743 260 A CB 1.605 20.526 19.000 -0.131 0.000 1.258 260 A HN 0.849 nan 8.150 nan 0.000 0.429 261 G N 0.011 108.761 108.800 -0.084 0.000 2.452 261 G HA2 0.724 4.684 3.960 0.000 0.000 0.324 261 G HA3 0.724 4.684 3.960 0.000 0.000 0.324 261 G C -0.391 174.501 174.900 -0.014 0.000 1.214 261 G CA 0.133 45.227 45.100 -0.010 0.000 0.947 261 G HN 1.467 nan 8.290 nan 0.000 0.478 262 A N 1.200 124.034 122.820 0.023 0.000 2.340 262 A HA 0.668 4.988 4.320 0.000 0.000 0.331 262 A C 0.046 177.750 177.584 0.200 0.000 1.140 262 A CA -0.654 51.404 52.037 0.035 0.000 0.801 262 A CB 1.108 20.087 19.000 -0.036 0.000 1.234 262 A HN 0.657 nan 8.150 nan 0.000 0.469 263 Y N 0.052 120.386 120.300 0.056 0.000 2.314 263 Y HA 0.105 4.655 4.550 0.000 0.000 0.294 263 Y C 0.583 176.616 175.900 0.222 0.000 1.119 263 Y CA 0.344 58.514 58.100 0.118 0.000 1.179 263 Y CB 0.269 38.808 38.460 0.132 0.000 1.025 263 Y HN 0.676 nan 8.280 nan 0.000 0.541 264 W N 1.421 122.830 121.300 0.181 0.000 3.439 264 W HA 0.288 4.948 4.660 -0.000 0.000 0.323 264 W C -3.185 173.364 176.519 0.051 0.000 1.174 264 W CA -2.138 55.273 57.345 0.110 0.000 1.224 264 W CB 2.060 31.600 29.460 0.133 0.000 1.348 264 W HN -0.192 nan 8.180 nan 0.000 0.498 265 P HA 0.188 nan 4.420 nan 0.000 0.273 265 P C -2.542 174.416 177.300 -0.570 0.000 1.250 265 P CA -1.114 61.184 63.100 -1.336 0.000 0.793 265 P CB 0.040 31.125 31.700 -1.026 0.000 1.011 266 P HA 0.088 nan 4.420 nan 0.000 0.263 266 P C -0.671 176.515 177.300 -0.189 0.000 1.601 266 P CA 0.548 63.512 63.100 -0.226 0.000 1.161 266 P CB -0.538 31.055 31.700 -0.178 0.000 1.730 267 Q N 2.571 122.293 119.800 -0.130 0.000 2.721 267 Q HA 0.416 4.756 4.340 0.000 0.000 0.282 267 Q C -1.683 174.277 176.000 -0.067 0.000 0.932 267 Q CA -1.057 54.648 55.803 -0.162 0.000 0.816 267 Q CB 0.833 29.439 28.738 -0.221 0.000 1.506 267 Q HN 0.259 nan 8.270 nan 0.000 0.399 268 Y N -1.314 118.923 120.300 -0.105 0.000 2.598 268 Y HA 0.888 5.438 4.550 0.000 0.000 0.340 268 Y C -1.277 174.542 175.900 -0.135 0.000 1.038 268 Y CA -1.325 56.698 58.100 -0.128 0.000 1.100 268 Y CB 1.963 40.339 38.460 -0.140 0.000 1.281 268 Y HN 0.607 nan 8.280 nan 0.000 0.488 269 V N 3.704 123.630 119.914 0.020 0.000 2.686 269 V HA 0.566 4.686 4.120 0.000 0.000 0.306 269 V C -1.312 174.739 176.094 -0.071 0.000 1.065 269 V CA -1.004 61.255 62.300 -0.068 0.000 0.894 269 V CB 1.538 33.304 31.823 -0.094 0.000 1.004 269 V HN 0.836 nan 8.190 nan 0.000 0.424 270 I N 7.489 128.013 120.570 -0.077 0.000 2.331 270 I HA 0.460 4.630 4.170 0.000 0.000 0.292 270 I C 0.154 176.201 176.117 -0.116 0.000 0.998 270 I CA -0.009 61.213 61.300 -0.130 0.000 1.267 270 I CB 1.545 39.466 38.000 -0.132 0.000 1.386 270 I HN 0.557 nan 8.210 nan 0.000 0.476 271 M N 4.766 124.313 119.600 -0.088 0.000 2.598 271 M HA 0.304 4.784 4.480 0.000 0.000 0.317 271 M C -0.238 176.118 176.300 0.094 0.000 1.179 271 M CA -0.790 54.474 55.300 -0.061 0.000 0.936 271 M CB 1.589 34.123 32.600 -0.111 0.000 1.713 271 M HN 0.455 nan 8.290 nan 0.000 0.460 272 D N 1.155 121.580 120.400 0.043 0.000 2.493 272 D HA -0.011 4.629 4.640 0.000 0.000 0.240 272 D C 0.896 177.199 176.300 0.005 0.000 1.142 272 D CA 0.434 54.465 54.000 0.052 0.000 0.872 272 D CB 1.344 42.137 40.800 -0.011 0.000 1.173 272 D HN 0.839 nan 8.370 nan 0.000 0.467 273 G N 3.372 112.135 108.800 -0.062 0.000 2.559 273 G HA2 -0.184 3.776 3.960 0.000 0.000 0.216 273 G HA3 -0.184 3.776 3.960 0.000 0.000 0.216 273 G C 1.182 176.049 174.900 -0.054 0.000 1.126 273 G CA 0.325 45.411 45.100 -0.023 0.000 0.778 273 G HN 0.639 nan 8.290 nan 0.000 0.543 274 E N -1.191 118.938 120.200 -0.118 0.000 2.485 274 E HA 0.024 4.374 4.350 0.000 0.000 0.213 274 E C 2.082 178.588 176.600 -0.157 0.000 0.923 274 E CA 0.838 57.095 56.400 -0.238 0.000 1.054 274 E CB 0.676 30.296 29.700 -0.133 0.000 1.077 274 E HN 0.488 nan 8.360 nan 0.000 0.509 275 T N -2.427 112.120 114.554 -0.010 0.000 2.975 275 T HA 0.247 4.597 4.350 0.000 0.000 0.261 275 T C 1.072 175.942 174.700 0.283 0.000 0.984 275 T CA -0.306 61.879 62.100 0.142 0.000 0.911 275 T CB 0.513 69.544 68.868 0.272 0.000 1.127 275 T HN 0.103 nan 8.240 nan 0.000 0.514 276 L N 0.265 121.555 121.223 0.111 0.000 4.950 276 L HA -0.146 4.194 4.340 0.000 0.000 0.413 276 L C 0.342 177.000 176.870 -0.354 0.000 1.020 276 L CA 0.532 55.393 54.840 0.035 0.000 1.239 276 L CB -1.507 40.658 42.059 0.176 0.000 2.004 276 L HN 0.580 nan 8.230 nan 0.000 0.658 277 E N 3.717 123.615 120.200 -0.504 0.000 2.417 277 E HA 0.086 4.436 4.350 0.000 0.000 0.261 277 E C -2.023 174.223 176.600 -0.592 0.000 1.000 277 E CA -1.338 54.398 56.400 -1.106 0.000 0.919 277 E CB 0.759 29.969 29.700 -0.816 0.000 0.955 277 E HN 0.047 nan 8.360 nan 0.000 0.455 278 P HA 0.072 nan 4.420 nan 0.000 0.281 278 P C -0.572 176.589 177.300 -0.232 0.000 1.286 278 P CA -0.275 62.632 63.100 -0.321 0.000 0.772 278 P CB 1.203 32.741 31.700 -0.271 0.000 0.862 279 K N 1.871 122.180 120.400 -0.153 0.000 2.262 279 K HA 0.153 4.473 4.320 0.000 0.000 0.200 279 K C 0.524 177.066 176.600 -0.097 0.000 1.058 279 K CA 0.926 57.152 56.287 -0.102 0.000 0.974 279 K CB 0.150 32.623 32.500 -0.045 0.000 0.910 279 K HN 0.263 nan 8.250 nan 0.000 0.484 280 K N 1.019 121.353 120.400 -0.110 0.000 2.581 280 K HA 0.334 4.654 4.320 0.000 0.000 0.249 280 K C -1.529 174.987 176.600 -0.140 0.000 0.966 280 K CA -0.244 55.977 56.287 -0.110 0.000 0.811 280 K CB 0.990 33.433 32.500 -0.096 0.000 1.223 280 K HN -0.179 nan 8.250 nan 0.000 0.438 281 I N 3.884 124.357 120.570 -0.161 0.000 2.336 281 I HA 0.436 4.606 4.170 0.000 0.000 0.292 281 I C -0.338 175.596 176.117 -0.306 0.000 0.991 281 I CA -0.753 60.417 61.300 -0.217 0.000 1.227 281 I CB 1.380 39.284 38.000 -0.160 0.000 1.366 281 I HN 0.492 nan 8.210 nan 0.000 0.466 282 Q N 3.367 122.836 119.800 -0.552 0.000 2.340 282 Q HA 0.334 4.674 4.340 0.000 0.000 0.268 282 Q C -0.244 175.435 176.000 -0.536 0.000 1.031 282 Q CA -0.490 54.952 55.803 -0.601 0.000 0.804 282 Q CB 2.794 30.997 28.738 -0.891 0.000 1.286 282 Q HN 0.700 nan 8.270 nan 0.000 0.448 283 S N 0.797 116.319 115.700 -0.297 0.000 2.580 283 S HA 0.246 4.716 4.470 0.000 0.000 0.274 283 S C 0.814 175.328 174.600 -0.143 0.000 1.329 283 S CA 0.197 58.275 58.200 -0.203 0.000 1.036 283 S CB 0.487 63.613 63.200 -0.125 0.000 0.919 283 S HN 0.672 nan 8.310 nan 0.000 0.515 284 T N 1.678 116.177 114.554 -0.093 0.000 3.129 284 T HA 0.350 4.700 4.350 0.000 0.000 0.267 284 T C 0.422 175.112 174.700 -0.017 0.000 1.018 284 T CA -0.456 61.632 62.100 -0.019 0.000 0.903 284 T CB -0.157 68.727 68.868 0.026 0.000 1.067 284 T HN 0.590 nan 8.240 nan 0.000 0.549 285 R N 0.895 121.388 120.500 -0.011 0.000 2.570 285 R HA 0.552 4.892 4.340 0.000 0.000 0.277 285 R C 0.834 177.198 176.300 0.106 0.000 1.039 285 R CA 1.028 57.150 56.100 0.036 0.000 1.065 285 R CB 0.442 30.821 30.300 0.131 0.000 0.964 285 R HN 0.592 nan 8.270 nan 0.000 0.428 286 G N 1.524 110.370 108.800 0.076 0.000 2.364 286 G HA2 0.214 4.174 3.960 0.000 0.000 0.286 286 G HA3 0.214 4.174 3.960 0.000 0.000 0.286 286 G C -1.565 173.408 174.900 0.121 0.000 1.241 286 G CA -0.866 44.331 45.100 0.161 0.000 0.887 286 G HN 0.253 nan 8.290 nan 0.000 0.484 287 M N 1.850 121.522 119.600 0.120 0.000 2.423 287 M HA 0.418 4.898 4.480 0.000 0.000 0.335 287 M C 0.806 177.144 176.300 0.062 0.000 1.177 287 M CA -0.703 54.657 55.300 0.100 0.000 1.038 287 M CB 0.682 33.341 32.600 0.099 0.000 1.641 287 M HN 0.803 nan 8.290 nan 0.000 0.455 288 T N -0.275 114.306 114.554 0.046 0.000 2.903 288 T HA 0.085 4.435 4.350 0.000 0.000 0.314 288 T C 0.962 175.681 174.700 0.032 0.000 1.078 288 T CA -0.166 61.955 62.100 0.036 0.000 1.114 288 T CB 0.236 69.098 68.868 -0.011 0.000 0.987 288 T HN 0.693 nan 8.240 nan 0.000 0.548 289 Y N 1.358 121.651 120.300 -0.012 0.000 2.286 289 Y HA 0.031 4.581 4.550 0.000 0.000 0.293 289 Y C 1.786 177.687 175.900 0.001 0.000 1.124 289 Y CA 1.269 59.366 58.100 -0.006 0.000 1.178 289 Y CB -0.669 37.783 38.460 -0.013 0.000 1.010 289 Y HN 0.657 nan 8.280 nan 0.000 0.536 290 D N -0.106 119.456 120.400 -1.397 0.000 2.240 290 D HA -0.092 4.548 4.640 0.000 0.000 0.206 290 D C 1.185 177.248 176.300 -0.395 0.000 0.963 290 D CA 1.301 54.694 54.000 -1.013 0.000 0.863 290 D CB -0.494 39.630 40.800 -1.127 0.000 0.973 290 D HN 0.655 nan 8.370 nan 0.000 0.501 291 E N -0.334 119.697 120.200 -0.283 0.000 2.511 291 E HA 0.092 4.442 4.350 0.000 0.000 0.209 291 E C -0.286 176.266 176.600 -0.079 0.000 0.986 291 E CA -0.218 56.099 56.400 -0.137 0.000 0.974 291 E CB 0.350 29.992 29.700 -0.097 0.000 1.030 291 E HN 0.123 nan 8.360 nan 0.000 0.490 292 Q N 1.523 121.278 119.800 -0.076 0.000 2.447 292 Q HA -0.174 4.166 4.340 0.000 0.000 0.348 292 Q C -0.850 175.158 176.000 0.014 0.000 1.421 292 Q CA 0.669 56.462 55.803 -0.016 0.000 0.978 292 Q CB -1.005 27.727 28.738 -0.010 0.000 1.191 292 Q HN 0.229 nan 8.270 nan 0.000 0.371 293 E N 0.507 120.723 120.200 0.025 0.000 2.256 293 E HA 0.261 4.611 4.350 0.000 0.000 0.267 293 E C -0.714 175.951 176.600 0.108 0.000 0.892 293 E CA -0.997 55.437 56.400 0.057 0.000 0.775 293 E CB 0.973 30.689 29.700 0.027 0.000 1.207 293 E HN 0.244 nan 8.360 nan 0.000 0.420 294 Y N 2.539 122.848 120.300 0.015 0.000 2.511 294 Y HA 0.022 4.572 4.550 0.000 0.000 0.332 294 Y C -0.285 175.646 175.900 0.051 0.000 1.177 294 Y CA 0.567 58.688 58.100 0.034 0.000 1.422 294 Y CB 0.364 38.833 38.460 0.016 0.000 1.271 294 Y HN 0.373 nan 8.280 nan 0.000 0.550 295 H N 8.608 127.239 119.070 -0.731 0.000 2.646 295 H HA 0.294 4.850 4.556 0.000 0.000 0.328 295 H C -2.220 172.587 175.328 -0.868 0.000 0.998 295 H CA -2.531 53.172 56.048 -0.574 0.000 1.225 295 H CB 2.263 31.855 29.762 -0.284 0.000 1.457 295 H HN 0.494 nan 8.280 nan 0.000 0.505 296 P HA 0.003 nan 4.420 nan 0.000 0.241 296 P C -0.175 177.202 177.300 0.128 0.000 1.191 296 P CA 0.613 63.589 63.100 -0.206 0.000 0.771 296 P CB 0.503 32.204 31.700 0.002 0.000 0.929 297 E N -0.703 119.702 120.200 0.342 0.000 3.711 297 E HA 0.292 4.642 4.350 0.000 0.000 0.267 297 E C -3.027 173.642 176.600 0.114 0.000 1.198 297 E CA -1.971 54.620 56.400 0.317 0.000 1.150 297 E CB 0.379 30.352 29.700 0.455 0.000 1.297 297 E HN 0.087 nan 8.360 nan 0.000 0.399 298 P HA 0.184 nan 4.420 nan 0.000 0.280 298 P C -0.411 176.824 177.300 -0.108 0.000 1.300 298 P CA -0.205 62.750 63.100 -0.242 0.000 0.785 298 P CB 0.372 31.943 31.700 -0.215 0.000 0.874 299 R N 1.865 122.289 120.500 -0.127 0.000 2.594 299 R HA 0.319 4.659 4.340 0.000 0.000 0.272 299 R C -0.216 176.088 176.300 0.007 0.000 1.074 299 R CA -0.734 55.330 56.100 -0.061 0.000 1.105 299 R CB 0.546 30.657 30.300 -0.314 0.000 1.008 299 R HN 0.224 nan 8.270 nan 0.000 0.472 300 V N 3.187 123.183 119.914 0.136 0.000 2.406 300 V HA 0.228 4.348 4.120 0.000 0.000 0.272 300 V C 0.680 176.907 176.094 0.221 0.000 1.043 300 V CA 0.097 62.477 62.300 0.132 0.000 0.915 300 V CB 0.784 32.678 31.823 0.118 0.000 0.988 300 V HN 0.990 nan 8.190 nan 0.000 0.466 301 A N 5.193 128.097 122.820 0.140 0.000 3.699 301 A HA 0.881 5.201 4.320 0.000 0.000 0.167 301 A C 0.956 178.559 177.584 0.031 0.000 1.780 301 A CA 0.253 52.382 52.037 0.153 0.000 1.483 301 A CB -0.405 18.663 19.000 0.114 0.000 1.720 301 A HN 1.049 nan 8.150 nan 0.000 0.671 302 A N -0.718 122.081 122.820 -0.034 0.000 2.445 302 A HA 0.526 4.846 4.320 0.000 0.000 0.242 302 A C -0.306 177.249 177.584 -0.047 0.000 1.075 302 A CA 0.269 52.284 52.037 -0.036 0.000 0.777 302 A CB -0.443 18.560 19.000 0.004 0.000 1.013 302 A HN 0.519 nan 8.150 nan 0.000 0.493 303 I N 2.104 122.615 120.570 -0.099 0.000 2.466 303 I HA 0.374 4.544 4.170 0.000 0.000 0.289 303 I C -0.426 175.592 176.117 -0.164 0.000 1.026 303 I CA -0.212 60.982 61.300 -0.176 0.000 1.078 303 I CB 1.473 39.328 38.000 -0.240 0.000 1.249 303 I HN 0.494 nan 8.210 nan 0.000 0.429 304 L N 4.152 125.242 121.223 -0.221 0.000 2.235 304 L HA 0.890 5.230 4.340 0.000 0.000 0.260 304 L C -0.237 176.592 176.870 -0.067 0.000 1.025 304 L CA -1.042 53.705 54.840 -0.155 0.000 0.836 304 L CB 1.912 43.836 42.059 -0.225 0.000 1.395 304 L HN 0.620 nan 8.230 nan 0.000 0.443 305 A N 0.465 123.277 122.820 -0.014 0.000 2.343 305 A HA 0.527 4.848 4.320 0.000 0.000 0.308 305 A C -0.354 177.190 177.584 -0.066 0.000 1.092 305 A CA -0.365 51.672 52.037 0.001 0.000 0.751 305 A CB 1.647 20.663 19.000 0.027 0.000 1.203 305 A HN 0.588 nan 8.150 nan 0.000 0.452 306 S N 0.574 116.203 115.700 -0.117 0.000 2.568 306 S HA 0.110 4.580 4.470 0.000 0.000 0.282 306 S C 0.607 175.174 174.600 -0.054 0.000 1.338 306 S CA 0.105 58.276 58.200 -0.048 0.000 1.045 306 S CB 0.024 63.148 63.200 -0.127 0.000 0.873 306 S HN 0.724 nan 8.310 nan 0.000 0.516 307 H N 2.742 121.805 119.070 -0.012 0.000 2.827 307 H HA 0.127 4.683 4.556 0.000 0.000 0.269 307 H C 0.305 175.585 175.328 -0.080 0.000 1.031 307 H CA 0.272 56.301 56.048 -0.031 0.000 1.202 307 H CB 0.344 30.099 29.762 -0.013 0.000 1.511 307 H HN 0.704 nan 8.280 nan 0.000 0.517 308 Y N 0.832 121.142 120.300 0.016 0.000 2.479 308 Y HA 0.198 4.748 4.550 0.000 0.000 0.283 308 Y C 0.774 176.624 175.900 -0.083 0.000 1.109 308 Y CA 0.479 58.560 58.100 -0.031 0.000 1.239 308 Y CB 0.793 39.214 38.460 -0.065 0.000 1.108 308 Y HN -0.124 nan 8.280 nan 0.000 0.548 309 R N -0.270 120.220 120.500 -0.018 0.000 2.808 309 R HA 0.303 4.643 4.340 0.000 0.000 0.272 309 R C -2.758 173.332 176.300 -0.350 0.000 0.995 309 R CA -2.102 53.900 56.100 -0.162 0.000 0.917 309 R CB 1.318 31.514 30.300 -0.172 0.000 1.217 309 R HN -0.300 nan 8.270 nan 0.000 0.471 310 P HA 0.114 nan 4.420 nan 0.000 0.237 310 P C -1.223 175.104 177.300 -1.623 0.000 1.788 310 P CA 0.254 62.662 63.100 -1.154 0.000 1.061 310 P CB 0.155 31.023 31.700 -1.385 0.000 1.967 311 E N 0.723 120.291 120.200 -1.053 0.000 2.393 311 E HA 0.534 4.884 4.350 0.000 0.000 0.273 311 E C -0.948 175.350 176.600 -0.504 0.000 0.918 311 E CA -0.804 55.129 56.400 -0.777 0.000 0.773 311 E CB 1.346 30.784 29.700 -0.437 0.000 1.275 311 E HN 0.046 nan 8.360 nan 0.000 0.451 312 F N 1.040 120.879 119.950 -0.185 0.000 2.458 312 F HA 0.463 4.990 4.527 0.000 0.000 0.330 312 F C 0.131 175.755 175.800 -0.293 0.000 1.082 312 F CA -0.761 57.126 58.000 -0.189 0.000 0.995 312 F CB 0.934 39.820 39.000 -0.189 0.000 1.170 312 F HN 0.219 nan 8.300 nan 0.000 0.478 313 I N 3.783 124.269 120.570 -0.139 0.000 2.359 313 I HA 0.343 4.513 4.170 0.000 0.000 0.284 313 I C -1.057 174.853 176.117 -0.344 0.000 1.018 313 I CA -0.623 60.475 61.300 -0.338 0.000 1.173 313 I CB 0.998 38.626 38.000 -0.620 0.000 1.326 313 I HN 0.124 nan 8.210 nan 0.000 0.462 314 V N 5.616 125.361 119.914 -0.282 0.000 2.384 314 V HA 0.327 4.447 4.120 0.000 0.000 0.287 314 V C 0.006 176.027 176.094 -0.122 0.000 1.020 314 V CA -0.768 61.379 62.300 -0.255 0.000 0.850 314 V CB 1.548 33.116 31.823 -0.424 0.000 0.987 314 V HN 0.580 nan 8.190 nan 0.000 0.436 315 N N 3.168 121.840 118.700 -0.047 0.000 2.444 315 N HA 0.405 5.145 4.740 0.000 0.000 0.271 315 N C -0.633 174.880 175.510 0.005 0.000 1.069 315 N CA -0.127 52.939 53.050 0.028 0.000 0.965 315 N CB 1.766 40.305 38.487 0.088 0.000 1.092 315 N HN 0.448 nan 8.380 nan 0.000 0.476 316 V N 3.699 123.609 119.914 -0.008 0.000 2.284 316 V HA 0.184 4.304 4.120 0.000 0.000 0.274 316 V C 1.530 177.587 176.094 -0.062 0.000 1.023 316 V CA -0.733 61.553 62.300 -0.024 0.000 0.808 316 V CB 1.166 32.977 31.823 -0.020 0.000 1.035 316 V HN 0.670 nan 8.190 nan 0.000 0.445 317 K N 3.267 123.623 120.400 -0.074 0.000 1.988 317 K HA -0.228 4.092 4.320 0.000 0.000 0.221 317 K C 1.620 178.080 176.600 -0.234 0.000 1.053 317 K CA 2.401 58.618 56.287 -0.116 0.000 0.959 317 K CB 0.176 32.603 32.500 -0.122 0.000 0.728 317 K HN 0.678 nan 8.250 nan 0.000 0.447 318 E N -0.565 119.427 120.200 -0.346 0.000 2.347 318 E HA -0.089 4.261 4.350 0.000 0.000 0.196 318 E C 1.640 178.017 176.600 -0.371 0.000 1.008 318 E CA 1.546 57.649 56.400 -0.495 0.000 0.852 318 E CB 0.111 29.313 29.700 -0.831 0.000 0.783 318 E HN 0.603 nan 8.360 nan 0.000 0.505 319 T N -3.813 110.596 114.554 -0.242 0.000 3.065 319 T HA 0.241 4.591 4.350 0.000 0.000 0.252 319 T C 1.532 176.261 174.700 0.049 0.000 1.099 319 T CA 0.154 62.203 62.100 -0.086 0.000 1.063 319 T CB 0.316 69.145 68.868 -0.066 0.000 0.948 319 T HN 0.187 nan 8.240 nan 0.000 0.506 320 G N 2.033 110.822 108.800 -0.018 0.000 2.256 320 G HA2 -0.173 3.787 3.960 0.000 0.000 0.272 320 G HA3 -0.173 3.787 3.960 0.000 0.000 0.272 320 G C -0.371 174.469 174.900 -0.101 0.000 1.076 320 G CA -0.281 44.790 45.100 -0.048 0.000 0.882 320 G HN 0.535 nan 8.290 nan 0.000 0.497 321 K N -0.244 120.123 120.400 -0.055 0.000 2.324 321 K HA 0.691 5.011 4.320 0.000 0.000 0.253 321 K C 0.112 176.689 176.600 -0.038 0.000 0.932 321 K CA -0.943 55.319 56.287 -0.043 0.000 0.799 321 K CB 2.036 34.533 32.500 -0.005 0.000 1.154 321 K HN 0.243 nan 8.250 nan 0.000 0.425 322 I N 3.902 124.450 120.570 -0.038 0.000 2.378 322 I HA 0.331 4.501 4.170 0.000 0.000 0.291 322 I C -0.299 175.793 176.117 -0.043 0.000 0.992 322 I CA -0.790 60.501 61.300 -0.015 0.000 1.154 322 I CB 0.993 39.016 38.000 0.037 0.000 1.315 322 I HN 0.209 nan 8.210 nan 0.000 0.448 323 L N 7.016 128.194 121.223 -0.075 0.000 2.309 323 L HA 0.546 4.886 4.340 0.000 0.000 0.282 323 L C -0.651 176.137 176.870 -0.138 0.000 1.036 323 L CA -0.695 54.090 54.840 -0.092 0.000 0.806 323 L CB 1.346 43.350 42.059 -0.092 0.000 1.220 323 L HN 0.419 nan 8.230 nan 0.000 0.429 324 L N 4.390 125.542 121.223 -0.120 0.000 2.295 324 L HA 0.444 4.784 4.340 0.000 0.000 0.281 324 L C -0.671 176.113 176.870 -0.143 0.000 1.018 324 L CA -0.588 54.163 54.840 -0.147 0.000 0.841 324 L CB 1.640 43.615 42.059 -0.140 0.000 1.218 324 L HN 0.317 nan 8.230 nan 0.000 0.424 325 V N 2.090 121.911 119.914 -0.155 0.000 2.328 325 V HA 0.176 4.296 4.120 0.000 0.000 0.278 325 V C 0.039 176.003 176.094 -0.217 0.000 1.021 325 V CA -0.619 61.609 62.300 -0.120 0.000 0.838 325 V CB 1.656 33.445 31.823 -0.056 0.000 0.999 325 V HN 0.596 nan 8.190 nan 0.000 0.447 326 D N 4.399 124.643 120.400 -0.260 0.000 2.343 326 D HA 0.061 4.701 4.640 0.000 0.000 0.255 326 D C 0.193 176.244 176.300 -0.414 0.000 1.187 326 D CA -0.196 53.543 54.000 -0.435 0.000 0.875 326 D CB 1.159 41.771 40.800 -0.314 0.000 1.136 326 D HN 0.654 nan 8.370 nan 0.000 0.469 327 Y N 1.050 121.075 120.300 -0.459 0.000 2.532 327 Y HA 0.166 4.716 4.550 0.000 0.000 0.283 327 Y C 1.827 177.462 175.900 -0.441 0.000 1.181 327 Y CA -0.163 57.654 58.100 -0.472 0.000 1.256 327 Y CB -0.727 37.377 38.460 -0.594 0.000 1.112 327 Y HN 0.223 nan 8.280 nan 0.000 0.521 328 T N -3.414 110.898 114.554 -0.404 0.000 2.995 328 T HA -0.032 4.318 4.350 0.000 0.000 0.269 328 T C 0.137 174.873 174.700 0.060 0.000 1.091 328 T CA 1.010 63.001 62.100 -0.182 0.000 1.128 328 T CB -0.011 68.775 68.868 -0.136 0.000 0.891 328 T HN 0.312 nan 8.240 nan 0.000 0.492 329 D N -0.217 120.173 120.400 -0.017 0.000 2.478 329 D HA 0.271 4.911 4.640 0.000 0.000 0.240 329 D C 0.494 176.784 176.300 -0.017 0.000 1.364 329 D CA -0.537 53.475 54.000 0.020 0.000 0.987 329 D CB 1.030 41.837 40.800 0.011 0.000 1.328 329 D HN 0.140 nan 8.370 nan 0.000 0.584 330 L N 1.946 123.167 121.223 -0.003 0.000 2.418 330 L HA 0.082 4.422 4.340 0.000 0.000 0.218 330 L C 1.169 178.023 176.870 -0.026 0.000 1.125 330 L CA 0.443 55.261 54.840 -0.036 0.000 0.835 330 L CB 0.198 42.224 42.059 -0.055 0.000 0.953 330 L HN 0.312 nan 8.230 nan 0.000 0.454 331 D N -0.197 120.198 120.400 -0.009 0.000 2.216 331 D HA -0.018 4.622 4.640 0.000 0.000 0.208 331 D C 0.713 177.003 176.300 -0.017 0.000 0.960 331 D CA 0.778 54.770 54.000 -0.012 0.000 0.861 331 D CB 0.108 40.907 40.800 -0.002 0.000 0.985 331 D HN 0.255 nan 8.370 nan 0.000 0.493 332 N N 1.582 120.273 118.700 -0.014 0.000 3.301 332 N HA 0.112 4.852 4.740 0.000 0.000 0.289 332 N C -0.403 175.089 175.510 -0.029 0.000 1.343 332 N CA -0.232 52.806 53.050 -0.019 0.000 1.136 332 N CB 1.190 39.669 38.487 -0.013 0.000 1.402 332 N HN 0.071 nan 8.380 nan 0.000 0.516 333 L N 1.588 122.791 121.223 -0.033 0.000 2.456 333 L HA 0.120 4.460 4.340 0.000 0.000 0.277 333 L C 0.168 177.012 176.870 -0.043 0.000 1.124 333 L CA 0.122 54.938 54.840 -0.040 0.000 0.880 333 L CB 0.035 42.075 42.059 -0.032 0.000 1.192 333 L HN 0.049 nan 8.230 nan 0.000 0.463 334 K N 3.858 124.220 120.400 -0.062 0.000 2.234 334 K HA 0.539 4.859 4.320 0.000 0.000 0.282 334 K C -0.180 176.376 176.600 -0.073 0.000 1.039 334 K CA -0.323 55.923 56.287 -0.068 0.000 0.928 334 K CB 1.027 33.474 32.500 -0.088 0.000 1.039 334 K HN 0.766 nan 8.250 nan 0.000 0.470 335 T N -1.361 113.160 114.554 -0.055 0.000 2.900 335 T HA 0.392 4.742 4.350 0.000 0.000 0.303 335 T C -0.540 174.130 174.700 -0.050 0.000 1.142 335 T CA -0.864 61.206 62.100 -0.051 0.000 1.007 335 T CB 1.765 70.626 68.868 -0.012 0.000 1.156 335 T HN 0.300 nan 8.240 nan 0.000 0.490 336 T N 1.890 116.409 114.554 -0.058 0.000 2.791 336 T HA 0.463 4.813 4.350 0.000 0.000 0.288 336 T C -0.616 174.060 174.700 -0.040 0.000 0.999 336 T CA -0.636 61.433 62.100 -0.051 0.000 0.952 336 T CB 1.257 70.086 68.868 -0.065 0.000 0.938 336 T HN 0.816 nan 8.240 nan 0.000 0.444 337 E N 4.522 124.708 120.200 -0.024 0.000 2.035 337 E HA 0.331 4.681 4.350 0.000 0.000 0.271 337 E C -0.716 175.875 176.600 -0.016 0.000 0.953 337 E CA -0.494 55.899 56.400 -0.012 0.000 0.777 337 E CB 0.369 30.073 29.700 0.006 0.000 1.104 337 E HN 0.584 nan 8.360 nan 0.000 0.408 338 I N 3.502 124.055 120.570 -0.029 0.000 2.315 338 I HA 0.112 4.282 4.170 0.000 0.000 0.291 338 I C 0.225 176.311 176.117 -0.052 0.000 1.006 338 I CA -0.565 60.711 61.300 -0.040 0.000 1.265 338 I CB 1.664 39.632 38.000 -0.054 0.000 1.387 338 I HN 0.407 nan 8.210 nan 0.000 0.475 339 S N 5.020 120.697 115.700 -0.038 0.000 2.488 339 S HA 0.412 4.882 4.470 0.000 0.000 0.278 339 S C 0.535 174.999 174.600 -0.226 0.000 1.259 339 S CA -0.156 58.014 58.200 -0.048 0.000 1.061 339 S CB 1.038 64.290 63.200 0.086 0.000 0.910 339 S HN 0.803 nan 8.310 nan 0.000 0.491 340 A N 3.596 126.130 122.820 -0.478 0.000 2.290 340 A HA 0.814 5.134 4.320 0.000 0.000 0.204 340 A C -0.263 176.806 177.584 -0.857 0.000 2.001 340 A CA -0.195 51.542 52.037 -0.500 0.000 1.643 340 A CB 0.194 19.019 19.000 -0.292 0.000 1.293 340 A HN 0.588 nan 8.150 nan 0.000 0.474 341 E N -0.023 119.805 120.200 -0.621 0.000 2.352 341 E HA 0.494 4.844 4.350 0.000 0.000 0.280 341 E C -1.077 175.448 176.600 -0.125 0.000 0.930 341 E CA -0.480 55.666 56.400 -0.424 0.000 0.765 341 E CB 1.185 30.791 29.700 -0.157 0.000 1.219 341 E HN 0.445 nan 8.360 nan 0.000 0.434 342 R N 2.185 122.762 120.500 0.128 0.000 2.738 342 R HA 0.322 4.662 4.340 0.000 0.000 0.268 342 R C -0.218 176.185 176.300 0.172 0.000 1.062 342 R CA 0.443 56.587 56.100 0.074 0.000 1.158 342 R CB 0.073 30.394 30.300 0.035 0.000 1.046 342 R HN 0.729 nan 8.270 nan 0.000 0.493 343 F N -1.494 118.464 119.950 0.013 0.000 2.737 343 F HA -0.212 4.315 4.527 0.000 0.000 0.288 343 F C 0.027 175.845 175.800 0.031 0.000 0.708 343 F CA -0.134 57.875 58.000 0.015 0.000 1.483 343 F CB -1.783 37.229 39.000 0.019 0.000 1.745 343 F HN 0.376 nan 8.300 nan 0.000 0.354 344 L N 0.466 121.759 121.223 0.117 0.000 2.525 344 L HA 0.114 4.454 4.340 0.000 0.000 0.278 344 L C 1.265 178.246 176.870 0.185 0.000 1.218 344 L CA 0.783 55.683 54.840 0.099 0.000 0.878 344 L CB 0.447 42.526 42.059 0.032 0.000 1.127 344 L HN 0.324 nan 8.230 nan 0.000 0.492 345 H N 1.112 120.220 119.070 0.064 0.000 5.120 345 H HA 0.208 4.764 4.556 0.000 0.000 0.090 345 H C -0.633 174.744 175.328 0.081 0.000 1.292 345 H CA 0.146 56.247 56.048 0.088 0.000 0.528 345 H CB 0.492 30.313 29.762 0.098 0.000 1.593 345 H HN 0.719 nan 8.280 nan 0.000 0.138 346 D N -0.028 120.336 120.400 -0.060 0.000 2.385 346 D HA 0.557 5.197 4.640 0.000 0.000 0.254 346 D C 0.383 176.694 176.300 0.019 0.000 1.053 346 D CA -0.268 53.687 54.000 -0.076 0.000 0.992 346 D CB 1.804 42.527 40.800 -0.129 0.000 1.145 346 D HN 0.729 nan 8.370 nan 0.000 0.523 347 G N -2.534 106.326 108.800 0.100 0.000 2.349 347 G HA2 0.605 4.565 3.960 0.000 0.000 0.294 347 G HA3 0.605 4.565 3.960 0.000 0.000 0.294 347 G C -1.153 173.920 174.900 0.289 0.000 1.380 347 G CA -0.387 44.765 45.100 0.086 0.000 0.811 347 G HN 0.828 nan 8.290 nan 0.000 0.519 348 G N -1.480 107.496 108.800 0.294 0.000 2.682 348 G HA2 0.659 4.619 3.960 0.000 0.000 0.290 348 G HA3 0.659 4.619 3.960 0.000 0.000 0.290 348 G C -1.045 174.153 174.900 0.497 0.000 1.425 348 G CA -0.900 44.507 45.100 0.513 0.000 0.807 348 G HN 0.683 nan 8.290 nan 0.000 0.482 349 L N 1.412 123.005 121.223 0.617 0.000 2.375 349 L HA 0.299 4.639 4.340 0.000 0.000 0.271 349 L C 0.654 177.740 176.870 0.360 0.000 1.107 349 L CA -1.031 54.041 54.840 0.386 0.000 0.806 349 L CB 1.079 43.289 42.059 0.252 0.000 1.146 349 L HN 0.757 nan 8.230 nan 0.000 0.447 350 D N 1.496 122.058 120.400 0.271 0.000 2.372 350 D HA -0.033 4.607 4.640 0.000 0.000 0.243 350 D C 1.165 177.597 176.300 0.220 0.000 1.297 350 D CA 0.050 54.223 54.000 0.288 0.000 0.958 350 D CB 0.745 41.744 40.800 0.331 0.000 1.114 350 D HN 0.619 nan 8.370 nan 0.000 0.496 351 G N -0.719 108.170 108.800 0.150 0.000 2.450 351 G HA2 -0.280 3.680 3.960 0.000 0.000 0.220 351 G HA3 -0.280 3.680 3.960 0.000 0.000 0.220 351 G C 1.458 176.291 174.900 -0.112 0.000 1.130 351 G CA 1.349 46.444 45.100 -0.009 0.000 0.760 351 G HN 0.605 nan 8.290 nan 0.000 0.557 352 S N -1.260 114.455 115.700 0.025 0.000 2.603 352 S HA 0.067 4.537 4.470 0.000 0.000 0.220 352 S C 0.941 175.604 174.600 0.103 0.000 0.967 352 S CA 0.744 58.961 58.200 0.029 0.000 0.920 352 S CB -0.525 62.760 63.200 0.141 0.000 0.773 352 S HN 0.675 nan 8.310 nan 0.000 0.529 353 H N -0.221 118.869 119.070 0.033 0.000 2.992 353 H HA -0.166 4.390 4.556 0.000 0.000 0.266 353 H C 1.351 176.738 175.328 0.098 0.000 1.200 353 H CA 0.852 56.880 56.048 -0.034 0.000 1.135 353 H CB -0.954 28.648 29.762 -0.266 0.000 1.282 353 H HN 0.575 nan 8.280 nan 0.000 0.351 354 R N 0.099 120.651 120.500 0.087 0.000 2.191 354 R HA 0.092 4.432 4.340 0.000 0.000 0.196 354 R C -0.280 175.723 176.300 -0.495 0.000 0.991 354 R CA 0.373 56.211 56.100 -0.437 0.000 1.075 354 R CB 0.594 30.340 30.300 -0.923 0.000 1.040 354 R HN 0.137 nan 8.270 nan 0.000 0.526 355 Y N 0.257 120.570 120.300 0.021 0.000 2.328 355 Y HA 0.297 4.847 4.550 0.000 0.000 0.337 355 Y C -0.685 175.214 175.900 -0.001 0.000 1.008 355 Y CA -1.301 56.783 58.100 -0.028 0.000 1.129 355 Y CB 1.181 39.656 38.460 0.025 0.000 1.185 355 Y HN -0.060 nan 8.280 nan 0.000 0.476 356 F N 5.227 125.125 119.950 -0.087 0.000 2.411 356 F HA 0.615 5.142 4.527 0.000 0.000 0.350 356 F C -0.879 174.759 175.800 -0.271 0.000 1.114 356 F CA -1.722 56.197 58.000 -0.137 0.000 1.135 356 F CB 0.234 39.164 39.000 -0.116 0.000 1.120 356 F HN 0.328 nan 8.300 nan 0.000 0.495 357 I N 5.808 125.920 120.570 -0.763 0.000 2.389 357 I HA 0.353 4.523 4.170 0.000 0.000 0.288 357 I C -0.270 175.183 176.117 -1.106 0.000 0.999 357 I CA -0.452 60.237 61.300 -1.019 0.000 1.129 357 I CB 1.910 39.092 38.000 -1.364 0.000 1.288 357 I HN 0.595 nan 8.210 nan 0.000 0.444 358 T N 4.531 118.538 114.554 -0.912 0.000 2.916 358 T HA 0.713 5.063 4.350 0.000 0.000 0.305 358 T C -0.910 173.615 174.700 -0.291 0.000 1.119 358 T CA -0.487 61.242 62.100 -0.619 0.000 1.008 358 T CB 1.529 69.883 68.868 -0.857 0.000 1.129 358 T HN 0.617 nan 8.240 nan 0.000 0.480 359 A N 2.656 125.414 122.820 -0.103 0.000 2.354 359 A HA 0.685 5.005 4.320 0.000 0.000 0.281 359 A C 0.688 178.285 177.584 0.021 0.000 1.174 359 A CA -0.175 51.853 52.037 -0.015 0.000 0.828 359 A CB -0.066 18.959 19.000 0.041 0.000 1.099 359 A HN 1.203 nan 8.150 nan 0.000 0.516 360 A N 3.658 126.489 122.820 0.018 0.000 3.016 360 A HA 0.350 4.670 4.320 0.000 0.000 0.303 360 A C 1.160 178.797 177.584 0.087 0.000 1.507 360 A CA -0.232 51.855 52.037 0.082 0.000 1.196 360 A CB -0.803 18.228 19.000 0.052 0.000 1.169 360 A HN 1.010 nan 8.150 nan 0.000 0.544 361 N N 2.342 121.099 118.700 0.095 0.000 2.061 361 N HA -0.236 4.504 4.740 0.000 0.000 0.193 361 N C 1.397 176.865 175.510 -0.070 0.000 1.030 361 N CA 2.262 55.331 53.050 0.033 0.000 0.856 361 N CB -0.543 37.973 38.487 0.049 0.000 1.023 361 N HN 0.454 nan 8.380 nan 0.000 0.424 362 A N -0.283 122.392 122.820 -0.242 0.000 2.121 362 A HA 0.062 4.382 4.320 0.000 0.000 0.218 362 A C 2.048 179.407 177.584 -0.375 0.000 1.154 362 A CA 0.665 52.383 52.037 -0.533 0.000 0.679 362 A CB -0.376 17.777 19.000 -1.412 0.000 0.795 362 A HN 0.368 nan 8.150 nan 0.000 0.458 363 R N -0.726 119.667 120.500 -0.178 0.000 2.393 363 R HA 0.076 4.416 4.340 0.000 0.000 0.244 363 R C -0.298 175.993 176.300 -0.014 0.000 0.920 363 R CA 0.073 56.139 56.100 -0.056 0.000 1.076 363 R CB 0.194 30.528 30.300 0.057 0.000 1.119 363 R HN 0.457 nan 8.270 nan 0.000 0.524 364 N N 1.551 120.247 118.700 -0.008 0.000 2.725 364 N HA -0.165 4.575 4.740 0.000 0.000 0.249 364 N C -0.991 174.547 175.510 0.046 0.000 1.103 364 N CA 1.309 54.383 53.050 0.038 0.000 0.707 364 N CB -0.677 37.829 38.487 0.031 0.000 1.043 364 N HN 0.208 nan 8.380 nan 0.000 0.553 365 K N 0.366 120.783 120.400 0.029 0.000 2.267 365 K HA 0.562 4.882 4.320 0.000 0.000 0.246 365 K C 0.443 177.036 176.600 -0.012 0.000 0.954 365 K CA -0.636 55.657 56.287 0.011 0.000 0.824 365 K CB 1.915 34.411 32.500 -0.005 0.000 1.167 365 K HN 0.025 nan 8.250 nan 0.000 0.431 366 L N 1.734 122.936 121.223 -0.035 0.000 2.296 366 L HA 0.422 4.762 4.340 0.000 0.000 0.286 366 L C -0.400 176.360 176.870 -0.183 0.000 1.023 366 L CA -1.165 53.614 54.840 -0.101 0.000 0.812 366 L CB 1.753 43.770 42.059 -0.069 0.000 1.223 366 L HN 0.130 nan 8.230 nan 0.000 0.421 367 V N 4.239 123.991 119.914 -0.270 0.000 2.483 367 V HA 0.453 4.573 4.120 0.000 0.000 0.295 367 V C -0.101 175.727 176.094 -0.444 0.000 1.035 367 V CA -0.573 61.543 62.300 -0.307 0.000 0.896 367 V CB 2.268 33.930 31.823 -0.268 0.000 0.986 367 V HN 0.419 nan 8.190 nan 0.000 0.447 368 V N 5.925 125.559 119.914 -0.467 0.000 2.487 368 V HA 0.547 4.667 4.120 0.000 0.000 0.298 368 V C -0.564 175.254 176.094 -0.461 0.000 1.028 368 V CA -0.571 61.356 62.300 -0.621 0.000 0.860 368 V CB 1.793 32.973 31.823 -1.071 0.000 0.991 368 V HN 0.553 nan 8.190 nan 0.000 0.427 369 I N 3.218 123.610 120.570 -0.297 0.000 2.474 369 I HA 0.433 4.603 4.170 0.000 0.000 0.294 369 I C -0.342 175.745 176.117 -0.050 0.000 1.005 369 I CA -0.669 60.554 61.300 -0.129 0.000 1.113 369 I CB 1.928 39.938 38.000 0.016 0.000 1.289 369 I HN 0.628 nan 8.210 nan 0.000 0.436 370 D N 3.718 124.091 120.400 -0.045 0.000 2.347 370 D HA 0.125 4.765 4.640 0.000 0.000 0.235 370 D C 1.210 177.397 176.300 -0.188 0.000 1.149 370 D CA -0.126 53.810 54.000 -0.106 0.000 0.850 370 D CB 1.170 41.963 40.800 -0.012 0.000 1.061 370 D HN 0.676 nan 8.370 nan 0.000 0.487 371 T N 1.053 115.450 114.554 -0.262 0.000 3.085 371 T HA -0.088 4.262 4.350 0.000 0.000 0.263 371 T C 1.523 176.099 174.700 -0.206 0.000 1.127 371 T CA 0.785 62.767 62.100 -0.197 0.000 1.103 371 T CB 0.118 68.902 68.868 -0.141 0.000 0.921 371 T HN 0.395 nan 8.240 nan 0.000 0.510 372 K N 0.677 120.877 120.400 -0.333 0.000 2.067 372 K HA 0.034 4.354 4.320 0.000 0.000 0.203 372 K C 2.052 178.576 176.600 -0.127 0.000 1.048 372 K CA 0.739 56.893 56.287 -0.222 0.000 0.954 372 K CB 0.165 32.447 32.500 -0.363 0.000 0.737 372 K HN 0.111 nan 8.250 nan 0.000 0.444 373 E N -0.085 120.035 120.200 -0.133 0.000 2.435 373 E HA 0.035 4.385 4.350 0.000 0.000 0.195 373 E C 0.591 177.148 176.600 -0.071 0.000 1.029 373 E CA 0.819 57.175 56.400 -0.074 0.000 0.865 373 E CB 0.486 30.158 29.700 -0.046 0.000 0.833 373 E HN 0.594 nan 8.360 nan 0.000 0.510 374 G N 2.526 111.272 108.800 -0.090 0.000 2.272 374 G HA2 -0.305 3.655 3.960 0.000 0.000 0.280 374 G HA3 -0.305 3.655 3.960 0.000 0.000 0.280 374 G C -0.030 174.830 174.900 -0.067 0.000 1.067 374 G CA 0.974 46.024 45.100 -0.083 0.000 0.902 374 G HN 0.353 nan 8.290 nan 0.000 0.500 375 K N -1.411 118.950 120.400 -0.065 0.000 2.556 375 K HA 0.754 5.074 4.320 0.000 0.000 0.274 375 K C -0.270 176.285 176.600 -0.074 0.000 0.966 375 K CA -1.482 54.770 56.287 -0.059 0.000 0.865 375 K CB 1.598 34.072 32.500 -0.044 0.000 1.444 375 K HN 0.601 nan 8.250 nan 0.000 0.433 376 L N 2.169 123.341 121.223 -0.084 0.000 2.490 376 L HA 0.065 4.405 4.340 0.000 0.000 0.274 376 L C -0.009 176.781 176.870 -0.134 0.000 1.201 376 L CA 0.552 55.319 54.840 -0.122 0.000 0.869 376 L CB 1.188 43.179 42.059 -0.114 0.000 1.123 376 L HN 0.713 nan 8.230 nan 0.000 0.484 377 V N 4.311 124.094 119.914 -0.218 0.000 3.572 377 V HA 0.610 4.730 4.120 0.000 0.000 0.260 377 V C 0.407 176.335 176.094 -0.278 0.000 1.324 377 V CA 0.662 62.818 62.300 -0.240 0.000 1.068 377 V CB 0.416 32.046 31.823 -0.322 0.000 0.837 377 V HN 1.011 nan 8.190 nan 0.000 0.450 378 A N -0.193 122.429 122.820 -0.330 0.000 2.597 378 A HA 0.769 5.089 4.320 0.000 0.000 0.292 378 A C -1.720 175.735 177.584 -0.215 0.000 1.057 378 A CA -0.328 51.568 52.037 -0.234 0.000 0.674 378 A CB 1.300 20.162 19.000 -0.231 0.000 1.278 378 A HN 0.081 nan 8.150 nan 0.000 0.416 379 I N 1.468 121.961 120.570 -0.128 0.000 2.534 379 I HA 0.428 4.598 4.170 0.000 0.000 0.286 379 I C -1.018 175.065 176.117 -0.057 0.000 1.094 379 I CA -0.337 60.897 61.300 -0.110 0.000 1.055 379 I CB 1.971 39.915 38.000 -0.092 0.000 1.225 379 I HN 0.555 nan 8.210 nan 0.000 0.435 380 E N 4.388 124.560 120.200 -0.047 0.000 2.293 380 E HA 0.273 4.623 4.350 0.000 0.000 0.270 380 E C -1.359 175.242 176.600 0.003 0.000 0.879 380 E CA -0.683 55.710 56.400 -0.011 0.000 0.756 380 E CB 3.001 32.705 29.700 0.007 0.000 1.208 380 E HN 0.467 nan 8.360 nan 0.000 0.428 381 D N 1.312 121.718 120.400 0.011 0.000 2.348 381 D HA 0.018 4.658 4.640 0.000 0.000 0.253 381 D C 1.007 177.328 176.300 0.034 0.000 1.161 381 D CA 0.207 54.220 54.000 0.021 0.000 0.876 381 D CB 1.136 41.944 40.800 0.012 0.000 1.160 381 D HN 0.434 nan 8.370 nan 0.000 0.459 382 T N 0.707 115.304 114.554 0.072 0.000 3.055 382 T HA 0.124 4.474 4.350 0.000 0.000 0.265 382 T C 1.504 176.221 174.700 0.028 0.000 1.111 382 T CA 0.733 62.895 62.100 0.103 0.000 1.118 382 T CB 0.066 69.106 68.868 0.286 0.000 0.909 382 T HN 0.649 nan 8.240 nan 0.000 0.501 383 G N 0.346 109.141 108.800 -0.009 0.000 2.179 383 G HA2 -0.046 3.914 3.960 0.000 0.000 0.260 383 G HA3 -0.046 3.914 3.960 0.000 0.000 0.260 383 G C 0.387 175.196 174.900 -0.152 0.000 0.977 383 G CA -0.009 45.055 45.100 -0.061 0.000 0.641 383 G HN 1.089 nan 8.290 nan 0.000 0.533 384 G N -1.463 107.182 108.800 -0.258 0.000 2.820 384 G HA2 0.631 4.591 3.960 0.000 0.000 0.291 384 G HA3 0.631 4.591 3.960 0.000 0.000 0.291 384 G C -0.700 174.043 174.900 -0.263 0.000 1.323 384 G CA -0.443 44.298 45.100 -0.597 0.000 1.055 384 G HN 0.229 nan 8.290 nan 0.000 0.520 385 Q N 0.594 120.276 119.800 -0.197 0.000 2.333 385 Q HA 0.421 4.761 4.340 0.000 0.000 0.265 385 Q C -0.571 175.524 176.000 0.158 0.000 0.989 385 Q CA -0.307 55.499 55.803 0.006 0.000 0.842 385 Q CB 1.288 30.006 28.738 -0.032 0.000 1.262 385 Q HN 0.713 nan 8.270 nan 0.000 0.451 386 T N 2.474 117.108 114.554 0.134 0.000 3.318 386 T HA -0.094 4.256 4.350 0.000 0.000 0.428 386 T C -2.438 172.332 174.700 0.117 0.000 0.768 386 T CA -0.213 61.943 62.100 0.092 0.000 2.218 386 T CB -1.118 67.768 68.868 0.029 0.000 1.689 386 T HN 0.442 nan 8.240 nan 0.000 0.671 387 P HA 0.109 nan 4.420 nan 0.000 0.268 387 P C -0.254 177.012 177.300 -0.056 0.000 1.204 387 P CA 0.253 63.193 63.100 -0.266 0.000 0.768 387 P CB 0.532 32.089 31.700 -0.239 0.000 0.842 388 H N 5.772 124.731 119.070 -0.186 0.000 2.651 388 H HA 0.219 4.775 4.556 0.000 0.000 0.252 388 H C -2.177 173.076 175.328 -0.124 0.000 1.365 388 H CA -1.930 54.060 56.048 -0.097 0.000 1.539 388 H CB 1.499 31.187 29.762 -0.123 0.000 1.621 388 H HN 0.203 nan 8.280 nan 0.000 0.526 389 P HA 0.077 nan 4.420 nan 0.000 0.227 389 P C 1.026 178.350 177.300 0.040 0.000 1.161 389 P CA 1.561 64.627 63.100 -0.057 0.000 0.788 389 P CB 1.158 32.922 31.700 0.106 0.000 0.822 390 G N 1.568 110.335 108.800 -0.055 0.000 2.536 390 G HA2 -0.336 3.624 3.960 0.000 0.000 0.280 390 G HA3 -0.336 3.624 3.960 0.000 0.000 0.280 390 G C 0.859 175.860 174.900 0.169 0.000 1.152 390 G CA 0.321 45.598 45.100 0.295 0.000 0.970 390 G HN 0.281 nan 8.290 nan 0.000 0.549 391 R N 1.595 122.152 120.500 0.096 0.000 2.334 391 R HA 0.456 4.796 4.340 0.000 0.000 0.216 391 R C 1.396 177.782 176.300 0.144 0.000 0.905 391 R CA 1.168 57.223 56.100 -0.076 0.000 1.064 391 R CB 0.029 29.878 30.300 -0.751 0.000 1.046 391 R HN 2.058 nan 8.270 nan 0.000 0.508 392 G N 0.493 109.345 108.800 0.087 0.000 2.725 392 G HA2 -0.078 3.882 3.960 0.000 0.000 0.220 392 G HA3 -0.078 3.882 3.960 0.000 0.000 0.220 392 G C -0.979 173.854 174.900 -0.111 0.000 1.357 392 G CA -0.508 44.427 45.100 -0.274 0.000 0.866 392 G HN 0.368 nan 8.290 nan 0.000 0.548 393 A N 0.263 122.872 122.820 -0.352 0.000 2.385 393 A HA 0.722 5.042 4.320 0.000 0.000 0.290 393 A C -0.286 177.390 177.584 0.154 0.000 1.094 393 A CA -0.523 51.565 52.037 0.085 0.000 0.729 393 A CB 0.958 20.075 19.000 0.195 0.000 1.194 393 A HN 0.804 nan 8.150 nan 0.000 0.442 394 N N 2.063 120.949 118.700 0.309 0.000 2.438 394 N HA 0.767 5.507 4.740 0.000 0.000 0.282 394 N C -0.871 174.822 175.510 0.304 0.000 1.037 394 N CA 0.258 53.467 53.050 0.265 0.000 0.942 394 N CB 1.537 40.175 38.487 0.251 0.000 1.136 394 N HN 0.668 nan 8.380 nan 0.000 0.481 395 F N -2.090 117.934 119.950 0.123 0.000 2.779 395 F HA 0.520 5.047 4.527 0.000 0.000 0.316 395 F C -1.329 174.526 175.800 0.093 0.000 1.164 395 F CA -1.224 56.831 58.000 0.093 0.000 0.924 395 F CB 0.657 39.722 39.000 0.108 0.000 1.348 395 F HN -0.014 nan 8.300 nan 0.000 0.467 396 V N 2.285 122.368 119.914 0.283 0.000 2.348 396 V HA 0.223 4.343 4.120 0.000 0.000 0.270 396 V C 0.016 176.297 176.094 0.311 0.000 1.037 396 V CA -0.437 61.956 62.300 0.156 0.000 0.872 396 V CB 0.377 32.268 31.823 0.112 0.000 1.002 396 V HN 0.866 nan 8.190 nan 0.000 0.464 397 H N 7.703 126.847 119.070 0.123 0.000 2.732 397 H HA 0.167 4.723 4.556 0.000 0.000 0.351 397 H C -1.811 173.578 175.328 0.102 0.000 1.090 397 H CA -1.489 54.703 56.048 0.241 0.000 1.431 397 H CB 2.152 32.047 29.762 0.223 0.000 1.447 397 H HN 0.344 nan 8.280 nan 0.000 0.582 398 P HA -0.161 nan 4.420 nan 0.000 0.216 398 P C 1.309 178.544 177.300 -0.108 0.000 1.153 398 P CA 2.525 65.509 63.100 -0.194 0.000 0.858 398 P CB 0.207 31.748 31.700 -0.264 0.000 0.789 399 T N -5.737 108.753 114.554 -0.107 0.000 3.018 399 T HA 0.102 4.452 4.350 0.000 0.000 0.246 399 T C 1.395 176.110 174.700 0.025 0.000 1.026 399 T CA 0.155 62.219 62.100 -0.061 0.000 1.081 399 T CB -0.839 67.889 68.868 -0.234 0.000 0.970 399 T HN -0.164 nan 8.240 nan 0.000 0.475 400 F N 2.590 122.787 119.950 0.410 0.000 2.569 400 F HA 0.521 5.048 4.527 0.000 0.000 0.295 400 F C 1.946 177.601 175.800 -0.242 0.000 1.115 400 F CA 0.042 58.043 58.000 0.001 0.000 1.450 400 F CB -0.539 38.304 39.000 -0.262 0.000 1.107 400 F HN 0.626 nan 8.300 nan 0.000 0.563 401 G N -0.252 108.513 108.800 -0.059 0.000 2.548 401 G HA2 -0.168 3.792 3.960 0.000 0.000 0.208 401 G HA3 -0.168 3.792 3.960 0.000 0.000 0.208 401 G C -2.861 171.873 174.900 -0.278 0.000 1.308 401 G CA -1.336 43.479 45.100 -0.475 0.000 0.924 401 G HN -0.076 nan 8.290 nan 0.000 0.540 402 P HA 0.399 nan 4.420 nan 0.000 0.262 402 P C 0.207 177.363 177.300 -0.241 0.000 1.199 402 P CA 0.546 63.530 63.100 -0.193 0.000 0.763 402 P CB 0.875 32.502 31.700 -0.122 0.000 0.790 403 V N 1.157 120.897 119.914 -0.290 0.000 3.102 403 V HA 0.732 4.852 4.120 0.000 0.000 0.312 403 V C -1.563 174.443 176.094 -0.147 0.000 1.135 403 V CA -1.282 60.849 62.300 -0.282 0.000 1.022 403 V CB 2.426 33.999 31.823 -0.416 0.000 1.056 403 V HN 0.566 nan 8.190 nan 0.000 0.436 404 W N 1.866 123.062 121.300 -0.174 0.000 2.702 404 W HA 0.860 5.520 4.660 0.000 0.000 0.331 404 W C -0.380 176.145 176.519 0.010 0.000 1.049 404 W CA -0.196 57.136 57.345 -0.022 0.000 1.230 404 W CB 1.813 31.321 29.460 0.080 0.000 1.408 404 W HN 1.036 nan 8.180 nan 0.000 0.492 405 A N 3.379 125.987 122.820 -0.352 0.000 2.354 405 A HA 0.821 5.141 4.320 0.000 0.000 0.321 405 A C -0.953 176.150 177.584 -0.801 0.000 1.125 405 A CA -0.565 51.274 52.037 -0.330 0.000 0.799 405 A CB 1.914 20.924 19.000 0.016 0.000 1.293 405 A HN 0.532 nan 8.150 nan 0.000 0.452 406 T N -0.180 114.097 114.554 -0.462 0.000 2.933 406 T HA 0.621 4.971 4.350 0.000 0.000 0.305 406 T C 0.046 174.599 174.700 -0.245 0.000 1.092 406 T CA 0.188 62.038 62.100 -0.417 0.000 1.008 406 T CB 1.064 69.732 68.868 -0.333 0.000 1.102 406 T HN 1.492 nan 8.240 nan 0.000 0.469 407 S N 2.905 118.495 115.700 -0.183 0.000 2.718 407 S HA 0.775 5.245 4.470 0.000 0.000 0.292 407 S C -0.802 173.676 174.600 -0.203 0.000 1.125 407 S CA -0.479 57.674 58.200 -0.078 0.000 1.013 407 S CB 0.718 63.923 63.200 0.009 0.000 1.192 407 S HN 0.839 nan 8.310 nan 0.000 0.535 408 H N -1.167 117.886 119.070 -0.028 0.000 2.851 408 H HA 0.485 5.041 4.556 0.000 0.000 0.372 408 H C 0.340 175.651 175.328 -0.027 0.000 1.158 408 H CA -0.699 55.339 56.048 -0.017 0.000 1.159 408 H CB 1.561 31.303 29.762 -0.032 0.000 1.757 408 H HN 0.500 nan 8.280 nan 0.000 0.546 409 M N 0.667 120.317 119.600 0.084 0.000 2.334 409 M HA 0.086 4.566 4.480 0.000 0.000 0.266 409 M C 1.844 178.156 176.300 0.020 0.000 1.082 409 M CA 1.400 56.705 55.300 0.009 0.000 1.141 409 M CB 0.268 32.848 32.600 -0.033 0.000 1.380 409 M HN 0.827 nan 8.290 nan 0.000 0.440 410 G N 0.545 109.371 108.800 0.044 0.000 2.985 410 G HA2 0.047 4.007 3.960 0.000 0.000 0.209 410 G HA3 0.047 4.007 3.960 0.000 0.000 0.209 410 G C -0.291 174.607 174.900 -0.005 0.000 1.165 410 G CA 0.185 45.292 45.100 0.012 0.000 0.776 410 G HN 0.543 nan 8.290 nan 0.000 0.541 411 D N -1.943 118.459 120.400 0.003 0.000 2.713 411 D HA 0.137 4.777 4.640 0.000 0.000 0.306 411 D C -0.186 176.104 176.300 -0.018 0.000 1.299 411 D CA -0.443 53.537 54.000 -0.034 0.000 0.823 411 D CB 0.092 40.839 40.800 -0.088 0.000 1.353 411 D HN -0.047 nan 8.370 nan 0.000 0.447 412 D N -0.925 119.457 120.400 -0.030 0.000 2.340 412 D HA 0.076 4.716 4.640 0.000 0.000 0.220 412 D C 0.291 176.575 176.300 -0.027 0.000 1.039 412 D CA -0.005 53.985 54.000 -0.016 0.000 0.866 412 D CB -0.435 40.361 40.800 -0.007 0.000 0.913 412 D HN 0.409 nan 8.370 nan 0.000 0.523 413 S N -0.443 115.209 115.700 -0.080 0.000 2.592 413 S HA 0.434 4.904 4.470 0.000 0.000 0.271 413 S C -0.016 174.549 174.600 -0.059 0.000 1.326 413 S CA -0.801 57.317 58.200 -0.136 0.000 1.024 413 S CB 1.661 64.705 63.200 -0.260 0.000 0.921 413 S HN -0.024 nan 8.310 nan 0.000 0.527 414 V N 1.906 121.638 119.914 -0.304 0.000 2.448 414 V HA 0.773 4.893 4.120 0.000 0.000 0.295 414 V C 0.298 176.109 176.094 -0.471 0.000 1.025 414 V CA -0.444 61.611 62.300 -0.407 0.000 0.859 414 V CB 1.126 32.493 31.823 -0.761 0.000 0.988 414 V HN 1.235 nan 8.190 nan 0.000 0.431 415 A N 5.741 128.455 122.820 -0.178 0.000 2.355 415 A HA 0.948 5.268 4.320 0.000 0.000 0.324 415 A C -1.060 176.480 177.584 -0.073 0.000 1.117 415 A CA -0.634 51.336 52.037 -0.111 0.000 0.785 415 A CB 1.226 20.264 19.000 0.063 0.000 1.254 415 A HN 0.771 nan 8.150 nan 0.000 0.453 416 L N 2.393 123.586 121.223 -0.050 0.000 2.341 416 L HA 0.583 4.923 4.340 0.000 0.000 0.278 416 L C -0.676 176.167 176.870 -0.046 0.000 1.005 416 L CA -0.325 54.501 54.840 -0.024 0.000 0.818 416 L CB 1.654 43.696 42.059 -0.029 0.000 1.259 416 L HN 0.707 nan 8.230 nan 0.000 0.418 417 I N 1.297 121.895 120.570 0.046 0.000 2.474 417 I HA 0.537 4.707 4.170 0.000 0.000 0.294 417 I C 0.447 176.520 176.117 -0.072 0.000 1.005 417 I CA -0.401 60.917 61.300 0.030 0.000 1.113 417 I CB 1.958 40.069 38.000 0.185 0.000 1.289 417 I HN 0.658 nan 8.210 nan 0.000 0.436 418 G N 3.117 111.787 108.800 -0.216 0.000 2.364 418 G HA2 0.314 4.274 3.960 0.000 0.000 0.267 418 G HA3 0.314 4.274 3.960 0.000 0.000 0.267 418 G C 0.447 174.963 174.900 -0.639 0.000 1.233 418 G CA -0.012 44.866 45.100 -0.370 0.000 0.885 418 G HN 0.723 nan 8.290 nan 0.000 0.490 419 T N -0.842 113.370 114.554 -0.571 0.000 3.266 419 T HA 0.224 4.574 4.350 0.000 0.000 0.278 419 T C -0.114 174.210 174.700 -0.626 0.000 1.010 419 T CA -0.438 61.191 62.100 -0.786 0.000 0.909 419 T CB 0.475 69.264 68.868 -0.132 0.000 1.122 419 T HN 0.375 nan 8.240 nan 0.000 0.536 420 D N 1.637 121.701 120.400 -0.560 0.000 2.404 420 D HA 0.377 5.017 4.640 0.000 0.000 0.267 420 D C -2.141 173.995 176.300 -0.273 0.000 1.194 420 D CA -2.432 51.414 54.000 -0.255 0.000 0.910 420 D CB 2.027 42.818 40.800 -0.014 0.000 1.090 420 D HN -0.004 nan 8.370 nan 0.000 0.511 421 P HA -0.036 nan 4.420 nan 0.000 0.225 421 P C 1.037 178.298 177.300 -0.065 0.000 1.156 421 P CA 0.591 63.558 63.100 -0.221 0.000 0.787 421 P CB 0.663 32.284 31.700 -0.132 0.000 0.802 422 E N 0.219 120.413 120.200 -0.010 0.000 2.033 422 E HA -0.030 4.320 4.350 0.000 0.000 0.189 422 E C 2.081 178.666 176.600 -0.026 0.000 0.979 422 E CA 1.741 58.147 56.400 0.009 0.000 0.802 422 E CB -1.182 28.544 29.700 0.044 0.000 0.763 422 E HN 0.134 nan 8.360 nan 0.000 0.449 423 G N -1.784 106.996 108.800 -0.032 0.000 2.796 423 G HA2 -0.024 3.936 3.960 0.000 0.000 0.210 423 G HA3 -0.024 3.936 3.960 0.000 0.000 0.210 423 G C 0.346 175.061 174.900 -0.308 0.000 1.146 423 G CA -0.032 44.987 45.100 -0.135 0.000 0.779 423 G HN 0.259 nan 8.290 nan 0.000 0.535 424 H N 0.330 119.349 119.070 -0.084 0.000 2.616 424 H HA 0.159 4.715 4.556 0.000 0.000 0.229 424 H C -1.714 173.531 175.328 -0.138 0.000 1.418 424 H CA -1.043 54.951 56.048 -0.091 0.000 1.248 424 H CB 1.826 31.533 29.762 -0.093 0.000 1.822 424 H HN 0.215 nan 8.280 nan 0.000 0.522 425 P HA -0.156 nan 4.420 nan 0.000 0.218 425 P C 1.186 178.443 177.300 -0.072 0.000 1.149 425 P CA 1.210 64.264 63.100 -0.077 0.000 0.817 425 P CB 0.566 32.236 31.700 -0.049 0.000 0.785 426 D N -0.927 119.451 120.400 -0.037 0.000 2.269 426 D HA -0.091 4.550 4.640 0.000 0.000 0.208 426 D C 1.420 177.690 176.300 -0.049 0.000 0.963 426 D CA 0.767 54.750 54.000 -0.027 0.000 0.864 426 D CB -0.278 40.522 40.800 -0.000 0.000 0.936 426 D HN -0.065 nan 8.370 nan 0.000 0.505 427 N N -0.097 118.564 118.700 -0.066 0.000 2.325 427 N HA 0.188 4.928 4.740 0.000 0.000 0.182 427 N C -0.196 175.159 175.510 -0.257 0.000 1.088 427 N CA 0.145 53.114 53.050 -0.134 0.000 0.879 427 N CB 0.269 38.693 38.487 -0.104 0.000 0.983 427 N HN 0.091 nan 8.380 nan 0.000 0.471 428 A N 0.211 122.829 122.820 -0.336 0.000 2.524 428 A HA 0.173 4.493 4.320 0.000 0.000 0.250 428 A C -0.120 177.142 177.584 -0.536 0.000 1.078 428 A CA -0.159 51.452 52.037 -0.711 0.000 0.761 428 A CB -0.671 17.810 19.000 -0.864 0.000 1.012 428 A HN 0.518 nan 8.150 nan 0.000 0.500 429 W N 0.060 121.258 121.300 -0.169 0.000 4.435 429 W HA -0.204 4.456 4.660 0.000 0.000 0.351 429 W C 0.293 176.735 176.519 -0.128 0.000 1.319 429 W CA 0.731 57.978 57.345 -0.163 0.000 0.791 429 W CB -1.392 27.963 29.460 -0.175 0.000 2.419 429 W HN 0.616 nan 8.180 nan 0.000 1.406 430 K N 0.357 120.747 120.400 -0.015 0.000 2.259 430 K HA 0.501 4.821 4.320 0.000 0.000 0.249 430 K C 0.203 176.750 176.600 -0.089 0.000 0.942 430 K CA -0.855 55.403 56.287 -0.049 0.000 0.816 430 K CB 0.821 33.263 32.500 -0.096 0.000 1.155 430 K HN -0.146 nan 8.250 nan 0.000 0.428 431 I N 5.499 126.024 120.570 -0.074 0.000 2.421 431 I HA 0.024 4.194 4.170 0.000 0.000 0.291 431 I C 0.897 176.896 176.117 -0.197 0.000 1.089 431 I CA 0.407 61.650 61.300 -0.094 0.000 1.354 431 I CB -0.123 37.851 38.000 -0.044 0.000 1.413 431 I HN 0.622 nan 8.210 nan 0.000 0.513 432 L N 3.771 124.785 121.223 -0.348 0.000 2.249 432 L HA 0.157 4.497 4.340 0.000 0.000 0.207 432 L C 0.483 177.073 176.870 -0.467 0.000 1.090 432 L CA 0.768 55.207 54.840 -0.668 0.000 0.802 432 L CB -0.060 41.173 42.059 -1.375 0.000 0.947 432 L HN 0.549 nan 8.230 nan 0.000 0.453 433 D N -1.513 118.759 120.400 -0.215 0.000 2.602 433 D HA 0.416 5.056 4.640 0.000 0.000 0.236 433 D C -1.408 174.907 176.300 0.025 0.000 1.209 433 D CA -0.235 53.792 54.000 0.045 0.000 0.831 433 D CB 2.357 43.331 40.800 0.291 0.000 1.478 433 D HN -0.234 nan 8.370 nan 0.000 0.438 434 S N 1.431 117.178 115.700 0.078 0.000 2.689 434 S HA 0.695 5.165 4.470 0.000 0.000 0.274 434 S C -1.728 172.877 174.600 0.009 0.000 1.176 434 S CA -0.713 57.426 58.200 -0.102 0.000 1.014 434 S CB -0.257 62.899 63.200 -0.073 0.000 1.071 434 S HN 0.347 nan 8.310 nan 0.000 0.478 435 F N 2.390 122.335 119.950 -0.008 0.000 2.645 435 F HA 0.875 5.402 4.527 0.000 0.000 0.310 435 F C -3.006 172.808 175.800 0.024 0.000 1.102 435 F CA -2.373 55.638 58.000 0.019 0.000 0.952 435 F CB 0.742 39.759 39.000 0.027 0.000 1.326 435 F HN 0.263 nan 8.300 nan 0.000 0.456 436 P HA 0.513 nan 4.420 nan 0.000 0.281 436 P C -0.937 176.544 177.300 0.303 0.000 1.249 436 P CA 0.019 63.233 63.100 0.190 0.000 0.810 436 P CB 1.930 33.725 31.700 0.159 0.000 1.008 437 A N 2.265 125.132 122.820 0.079 0.000 3.934 437 A HA 0.410 4.730 4.320 0.000 0.000 0.163 437 A C 1.694 178.979 177.584 -0.499 0.000 1.103 437 A CA -0.390 51.535 52.037 -0.188 0.000 1.170 437 A CB -0.713 18.315 19.000 0.047 0.000 1.564 437 A HN 0.443 nan 8.150 nan 0.000 0.705 438 L N -0.545 120.429 121.223 -0.414 0.000 2.056 438 L HA 0.231 4.571 4.340 0.000 0.000 0.207 438 L C 1.306 178.127 176.870 -0.082 0.000 1.078 438 L CA 1.347 56.047 54.840 -0.234 0.000 0.749 438 L CB -0.383 41.597 42.059 -0.132 0.000 0.901 438 L HN 0.929 nan 8.230 nan 0.000 0.433 439 G N -2.300 106.465 108.800 -0.057 0.000 2.315 439 G HA2 0.332 4.292 3.960 0.000 0.000 0.294 439 G HA3 0.332 4.292 3.960 0.000 0.000 0.294 439 G C -0.653 174.239 174.900 -0.013 0.000 1.300 439 G CA -0.475 44.613 45.100 -0.021 0.000 0.843 439 G HN 0.189 nan 8.290 nan 0.000 0.527 440 G N -1.638 107.157 108.800 -0.008 0.000 2.712 440 G HA2 0.539 4.498 3.960 0.000 0.000 0.258 440 G HA3 0.539 4.498 3.960 0.000 0.000 0.258 440 G C 1.382 176.280 174.900 -0.004 0.000 1.241 440 G CA 1.338 46.437 45.100 -0.003 0.000 0.923 440 G HN 2.420 nan 8.290 nan 0.000 0.548 441 G N -1.781 107.016 108.800 -0.006 0.000 2.143 441 G HA2 -0.177 3.783 3.960 0.000 0.000 0.248 441 G HA3 -0.177 3.783 3.960 0.000 0.000 0.248 441 G C 0.564 175.451 174.900 -0.021 0.000 0.991 441 G CA 0.733 45.823 45.100 -0.016 0.000 0.689 441 G HN 1.245 nan 8.290 nan 0.000 0.522 442 S N -0.922 114.771 115.700 -0.013 0.000 2.565 442 S HA 0.675 5.145 4.470 0.000 0.000 0.274 442 S C 1.496 176.041 174.600 -0.091 0.000 1.309 442 S CA -0.192 58.002 58.200 -0.009 0.000 1.043 442 S CB 0.967 64.182 63.200 0.025 0.000 0.939 442 S HN 0.374 nan 8.310 nan 0.000 0.504 443 L N 2.941 124.088 121.223 -0.127 0.000 2.624 443 L HA 0.467 4.807 4.340 0.000 0.000 0.222 443 L C -0.810 175.753 176.870 -0.512 0.000 1.046 443 L CA 0.202 54.767 54.840 -0.458 0.000 0.872 443 L CB 0.291 42.017 42.059 -0.555 0.000 1.190 443 L HN 0.514 nan 8.230 nan 0.000 0.487 444 F N -0.326 119.738 119.950 0.189 0.000 2.578 444 F HA 0.518 5.045 4.527 0.000 0.000 0.311 444 F C -0.510 175.400 175.800 0.185 0.000 1.094 444 F CA -0.730 57.387 58.000 0.194 0.000 0.923 444 F CB 2.288 41.400 39.000 0.186 0.000 1.230 444 F HN -0.313 nan 8.300 nan 0.000 0.450 445 I N 2.887 123.667 120.570 0.350 0.000 2.509 445 I HA 0.652 4.822 4.170 0.000 0.000 0.293 445 I C -1.351 174.950 176.117 0.308 0.000 1.020 445 I CA -0.613 60.856 61.300 0.281 0.000 1.088 445 I CB 1.619 39.700 38.000 0.135 0.000 1.267 445 I HN 0.566 nan 8.210 nan 0.000 0.430 446 K N 3.716 124.352 120.400 0.394 0.000 2.527 446 K HA 0.724 5.044 4.320 0.000 0.000 0.260 446 K C -1.159 175.797 176.600 0.592 0.000 0.937 446 K CA -0.436 56.118 56.287 0.445 0.000 0.826 446 K CB 2.247 34.989 32.500 0.404 0.000 1.359 446 K HN 0.649 nan 8.250 nan 0.000 0.434 447 T N 0.275 115.148 114.554 0.531 0.000 2.665 447 T HA 0.458 4.808 4.350 0.000 0.000 0.303 447 T C -2.215 172.501 174.700 0.026 0.000 1.334 447 T CA -0.465 61.892 62.100 0.429 0.000 1.011 447 T CB 0.688 69.740 68.868 0.308 0.000 1.573 447 T HN 0.576 nan 8.240 nan 0.000 0.492 448 H N 0.076 118.932 119.070 -0.356 0.000 3.046 448 H HA 0.368 4.924 4.556 0.000 0.000 0.361 448 H C -2.429 172.779 175.328 -0.201 0.000 1.235 448 H CA -1.406 54.355 56.048 -0.478 0.000 1.146 448 H CB 2.342 31.351 29.762 -1.254 0.000 1.859 448 H HN 0.338 nan 8.280 nan 0.000 0.548 449 P HA -0.082 nan 4.420 nan 0.000 0.219 449 P C 0.695 178.069 177.300 0.123 0.000 1.146 449 P CA 1.013 64.074 63.100 -0.064 0.000 0.808 449 P CB 0.403 32.006 31.700 -0.162 0.000 0.779 450 N N -1.317 117.605 118.700 0.370 0.000 2.461 450 N HA 0.029 4.769 4.740 0.000 0.000 0.188 450 N C 0.307 175.890 175.510 0.121 0.000 1.134 450 N CA 0.459 53.623 53.050 0.189 0.000 0.878 450 N CB -0.081 38.492 38.487 0.143 0.000 0.972 450 N HN 0.074 nan 8.380 nan 0.000 0.456 451 S N -0.310 115.459 115.700 0.115 0.000 2.600 451 S HA 0.261 4.731 4.470 0.000 0.000 0.300 451 S C 0.445 175.042 174.600 -0.006 0.000 1.087 451 S CA -0.670 57.597 58.200 0.111 0.000 0.965 451 S CB 1.308 64.690 63.200 0.304 0.000 1.089 451 S HN 0.259 nan 8.310 nan 0.000 0.496 452 Q N 1.275 120.938 119.800 -0.229 0.000 2.247 452 Q HA 0.247 4.587 4.340 0.000 0.000 0.204 452 Q C -1.048 174.690 176.000 -0.438 0.000 0.872 452 Q CA -0.110 55.471 55.803 -0.369 0.000 0.951 452 Q CB -0.023 28.422 28.738 -0.489 0.000 1.099 452 Q HN 0.601 nan 8.270 nan 0.000 0.501 453 Y N 0.765 121.130 120.300 0.108 0.000 2.420 453 Y HA 0.493 5.043 4.550 0.000 0.000 0.334 453 Y C -0.650 175.294 175.900 0.072 0.000 1.094 453 Y CA -1.887 56.230 58.100 0.027 0.000 1.126 453 Y CB 1.540 39.974 38.460 -0.045 0.000 1.217 453 Y HN 0.038 nan 8.280 nan 0.000 0.462 454 L N 3.987 125.300 121.223 0.149 0.000 2.294 454 L HA 0.505 4.845 4.340 0.000 0.000 0.283 454 L C -1.756 175.257 176.870 0.238 0.000 1.015 454 L CA -0.784 54.174 54.840 0.197 0.000 0.831 454 L CB -0.135 41.964 42.059 0.067 0.000 1.217 454 L HN 0.429 nan 8.230 nan 0.000 0.420 455 Y N 4.064 124.598 120.300 0.390 0.000 2.323 455 Y HA 0.637 5.187 4.550 0.000 0.000 0.331 455 Y C -0.049 176.062 175.900 0.351 0.000 1.092 455 Y CA -0.715 57.619 58.100 0.391 0.000 1.150 455 Y CB 1.637 40.407 38.460 0.516 0.000 1.200 455 Y HN 0.268 nan 8.280 nan 0.000 0.472 456 V N 3.794 123.952 119.914 0.408 0.000 2.524 456 V HA 0.247 4.367 4.120 0.000 0.000 0.297 456 V C -0.677 175.545 176.094 0.214 0.000 1.035 456 V CA -1.120 61.359 62.300 0.299 0.000 0.867 456 V CB 1.407 33.375 31.823 0.242 0.000 1.004 456 V HN 0.819 nan 8.190 nan 0.000 0.426 457 D N 4.045 124.589 120.400 0.240 0.000 2.447 457 D HA 0.698 5.338 4.640 0.000 0.000 0.265 457 D C 0.366 176.721 176.300 0.091 0.000 1.250 457 D CA -0.317 53.781 54.000 0.164 0.000 1.046 457 D CB 1.532 42.485 40.800 0.254 0.000 1.095 457 D HN 0.700 nan 8.370 nan 0.000 0.555 458 A N -1.103 121.754 122.820 0.062 0.000 2.758 458 A HA 0.281 4.601 4.320 0.000 0.000 0.223 458 A C 1.153 178.756 177.584 0.032 0.000 0.877 458 A CA -0.276 51.777 52.037 0.027 0.000 1.152 458 A CB -0.727 18.269 19.000 -0.006 0.000 1.239 458 A HN 0.437 nan 8.150 nan 0.000 0.470 459 T N 0.880 115.478 114.554 0.074 0.000 2.653 459 T HA -0.227 4.123 4.350 0.000 0.000 0.267 459 T C 1.462 176.193 174.700 0.050 0.000 1.037 459 T CA 2.095 64.255 62.100 0.101 0.000 1.159 459 T CB -0.334 68.644 68.868 0.185 0.000 0.859 459 T HN 0.479 nan 8.240 nan 0.000 0.449 460 L N 0.634 121.872 121.223 0.025 0.000 2.592 460 L HA 0.196 4.536 4.340 0.000 0.000 0.227 460 L C 1.119 177.981 176.870 -0.014 0.000 1.127 460 L CA -0.328 54.512 54.840 -0.000 0.000 0.884 460 L CB -0.429 41.626 42.059 -0.007 0.000 1.065 460 L HN 0.261 nan 8.230 nan 0.000 0.457 461 N N 1.743 120.436 118.700 -0.011 0.000 2.454 461 N HA 0.002 4.742 4.740 0.000 0.000 0.254 461 N C -1.600 173.896 175.510 -0.022 0.000 1.228 461 N CA -0.948 52.092 53.050 -0.016 0.000 0.900 461 N CB 1.690 40.168 38.487 -0.014 0.000 1.089 461 N HN -0.121 nan 8.380 nan 0.000 0.449 462 P HA -0.065 nan 4.420 nan 0.000 0.217 462 P C -0.484 176.801 177.300 -0.026 0.000 1.150 462 P CA 1.250 64.336 63.100 -0.024 0.000 0.832 462 P CB 0.169 31.858 31.700 -0.019 0.000 0.787 463 E N -0.489 119.697 120.200 -0.023 0.000 2.223 463 E HA 0.289 4.639 4.350 0.000 0.000 0.282 463 E C 0.983 177.564 176.600 -0.031 0.000 1.046 463 E CA -0.274 56.111 56.400 -0.025 0.000 0.857 463 E CB 0.815 30.504 29.700 -0.019 0.000 1.055 463 E HN 0.017 nan 8.360 nan 0.000 0.409 464 A N 3.630 126.428 122.820 -0.036 0.000 2.015 464 A HA -0.213 4.107 4.320 0.000 0.000 0.219 464 A C 1.982 179.538 177.584 -0.046 0.000 1.163 464 A CA 1.335 53.346 52.037 -0.043 0.000 0.646 464 A CB -0.197 18.777 19.000 -0.044 0.000 0.806 464 A HN 0.634 nan 8.150 nan 0.000 0.448 465 E N 0.014 120.189 120.200 -0.041 0.000 2.160 465 E HA -0.164 4.186 4.350 0.000 0.000 0.195 465 E C 1.639 178.209 176.600 -0.051 0.000 0.991 465 E CA 1.394 57.766 56.400 -0.047 0.000 0.810 465 E CB -0.114 29.564 29.700 -0.036 0.000 0.742 465 E HN 0.527 nan 8.360 nan 0.000 0.466 466 I N 0.106 120.653 120.570 -0.039 0.000 2.364 466 I HA -0.122 4.048 4.170 0.000 0.000 0.241 466 I C 2.398 178.489 176.117 -0.043 0.000 1.082 466 I CA 1.394 62.672 61.300 -0.036 0.000 1.401 466 I CB -1.645 36.341 38.000 -0.023 0.000 1.126 466 I HN 0.215 nan 8.210 nan 0.000 0.429 467 S N 1.037 116.716 115.700 -0.035 0.000 2.442 467 S HA -0.080 4.390 4.470 0.000 0.000 0.236 467 S C 1.864 176.445 174.600 -0.032 0.000 1.007 467 S CA 1.179 59.364 58.200 -0.025 0.000 0.965 467 S CB -0.971 62.214 63.200 -0.025 0.000 0.773 467 S HN 0.458 nan 8.310 nan 0.000 0.504 468 G N -0.083 108.683 108.800 -0.057 0.000 3.141 468 G HA2 0.459 4.419 3.960 0.000 0.000 0.218 468 G HA3 0.459 4.419 3.960 0.000 0.000 0.218 468 G C 0.159 174.978 174.900 -0.136 0.000 1.170 468 G CA -0.137 44.917 45.100 -0.077 0.000 0.769 468 G HN 0.495 nan 8.290 nan 0.000 0.546 469 S N -1.633 113.984 115.700 -0.140 0.000 2.751 469 S HA 0.758 5.228 4.470 0.000 0.000 0.310 469 S C -1.038 173.440 174.600 -0.204 0.000 1.128 469 S CA -0.515 57.562 58.200 -0.206 0.000 0.931 469 S CB 2.497 65.595 63.200 -0.169 0.000 1.177 469 S HN -0.053 nan 8.310 nan 0.000 0.530 470 V N 0.885 120.651 119.914 -0.246 0.000 2.760 470 V HA 0.742 4.862 4.120 0.000 0.000 0.309 470 V C -0.348 175.685 176.094 -0.101 0.000 1.077 470 V CA -0.782 61.399 62.300 -0.199 0.000 0.910 470 V CB 1.696 33.270 31.823 -0.415 0.000 1.008 470 V HN 1.024 nan 8.190 nan 0.000 0.424 471 A N 3.884 126.673 122.820 -0.052 0.000 2.304 471 A HA 0.875 5.195 4.320 0.000 0.000 0.301 471 A C -0.764 176.798 177.584 -0.037 0.000 1.132 471 A CA -0.440 51.557 52.037 -0.067 0.000 0.819 471 A CB 1.197 19.975 19.000 -0.370 0.000 1.094 471 A HN 0.897 nan 8.150 nan 0.000 0.492 472 V N 2.159 121.995 119.914 -0.130 0.000 2.567 472 V HA 0.404 4.524 4.120 0.000 0.000 0.298 472 V C -1.286 174.707 176.094 -0.168 0.000 1.047 472 V CA -0.249 61.925 62.300 -0.210 0.000 0.880 472 V CB 0.920 32.483 31.823 -0.434 0.000 1.009 472 V HN 0.728 nan 8.190 nan 0.000 0.429 473 F N 1.838 121.811 119.950 0.040 0.000 2.425 473 F HA 0.517 5.044 4.527 0.000 0.000 0.331 473 F C 0.491 176.360 175.800 0.114 0.000 1.085 473 F CA -0.662 57.387 58.000 0.083 0.000 1.028 473 F CB 1.295 40.340 39.000 0.076 0.000 1.177 473 F HN 0.446 nan 8.300 nan 0.000 0.487 474 D N 2.900 123.478 120.400 0.295 0.000 2.365 474 D HA 0.200 4.840 4.640 0.000 0.000 0.237 474 D C 1.135 177.467 176.300 0.054 0.000 1.190 474 D CA 0.208 54.353 54.000 0.242 0.000 0.867 474 D CB 0.565 41.497 40.800 0.220 0.000 1.050 474 D HN 0.497 nan 8.370 nan 0.000 0.491 475 I N 3.334 123.864 120.570 -0.066 0.000 2.163 475 I HA -0.298 3.872 4.170 0.000 0.000 0.243 475 I C 2.195 178.253 176.117 -0.099 0.000 1.085 475 I CA 1.094 62.308 61.300 -0.143 0.000 1.347 475 I CB -0.020 37.816 38.000 -0.272 0.000 1.044 475 I HN 0.362 nan 8.210 nan 0.000 0.408 476 K N 0.611 120.950 120.400 -0.102 0.000 2.280 476 K HA -0.105 4.215 4.320 0.000 0.000 0.202 476 K C 1.905 178.456 176.600 -0.082 0.000 1.047 476 K CA 1.258 57.492 56.287 -0.089 0.000 0.942 476 K CB -0.155 32.296 32.500 -0.082 0.000 0.739 476 K HN 0.353 nan 8.250 nan 0.000 0.457 477 A N 0.508 123.294 122.820 -0.056 0.000 2.218 477 A HA 0.104 4.424 4.320 0.000 0.000 0.209 477 A C 0.702 178.245 177.584 -0.068 0.000 1.168 477 A CA -0.015 51.997 52.037 -0.042 0.000 0.804 477 A CB -0.177 18.824 19.000 0.002 0.000 0.834 477 A HN 0.139 nan 8.150 nan 0.000 0.482 478 M N 0.752 120.283 119.600 -0.115 0.000 2.238 478 M HA 0.086 4.566 4.480 0.000 0.000 0.350 478 M C 1.538 177.716 176.300 -0.204 0.000 1.321 478 M CA 0.755 55.972 55.300 -0.137 0.000 1.097 478 M CB 0.853 33.370 32.600 -0.139 0.000 1.713 478 M HN 0.511 nan 8.290 nan 0.000 0.455 479 T N -1.576 112.939 114.554 -0.065 0.000 3.138 479 T HA 0.349 4.699 4.350 0.000 0.000 0.245 479 T C 0.999 175.682 174.700 -0.029 0.000 0.982 479 T CA 0.530 62.589 62.100 -0.068 0.000 1.134 479 T CB 0.132 68.978 68.868 -0.037 0.000 1.032 479 T HN 0.988 nan 8.240 nan 0.000 0.442 480 G N 2.898 111.733 108.800 0.057 0.000 2.756 480 G HA2 -0.017 3.943 3.960 0.000 0.000 0.272 480 G HA3 -0.017 3.943 3.960 0.000 0.000 0.272 480 G C -0.142 174.799 174.900 0.069 0.000 1.128 480 G CA 0.289 45.440 45.100 0.084 0.000 1.145 480 G HN 0.834 nan 8.290 nan 0.000 0.545 481 D N -1.506 118.942 120.400 0.079 0.000 2.514 481 D HA 0.425 5.065 4.640 0.000 0.000 0.225 481 D C 1.719 178.066 176.300 0.078 0.000 1.159 481 D CA 1.040 55.079 54.000 0.064 0.000 0.823 481 D CB -0.039 40.782 40.800 0.035 0.000 1.097 481 D HN 1.628 nan 8.370 nan 0.000 0.519 482 G N 0.795 109.655 108.800 0.099 0.000 2.481 482 G HA2 -0.213 3.747 3.960 0.000 0.000 0.200 482 G HA3 -0.213 3.747 3.960 0.000 0.000 0.200 482 G C 0.358 175.314 174.900 0.094 0.000 1.012 482 G CA 0.043 45.202 45.100 0.098 0.000 0.676 482 G HN 0.843 nan 8.290 nan 0.000 0.488 483 S N 2.172 117.916 115.700 0.074 0.000 2.544 483 S HA 0.386 4.856 4.470 0.000 0.000 0.290 483 S C -0.204 174.442 174.600 0.076 0.000 1.276 483 S CA 0.223 58.463 58.200 0.066 0.000 1.075 483 S CB 0.807 64.034 63.200 0.045 0.000 0.849 483 S HN 0.321 nan 8.310 nan 0.000 0.494 484 D N 5.157 125.619 120.400 0.103 0.000 2.434 484 D HA 0.209 4.849 4.640 0.000 0.000 0.252 484 D C -2.072 174.287 176.300 0.099 0.000 1.185 484 D CA -1.070 53.014 54.000 0.140 0.000 0.886 484 D CB -0.113 40.813 40.800 0.211 0.000 1.148 484 D HN 0.412 nan 8.370 nan 0.000 0.483 485 P HA -0.021 nan 4.420 nan 0.000 0.262 485 P C 0.308 177.787 177.300 0.298 0.000 1.182 485 P CA 0.051 63.172 63.100 0.034 0.000 0.761 485 P CB 0.404 31.940 31.700 -0.274 0.000 0.795 486 E N 3.494 123.788 120.200 0.158 0.000 2.374 486 E HA 0.437 4.787 4.350 0.000 0.000 0.260 486 E C -0.708 175.839 176.600 -0.089 0.000 1.101 486 E CA -0.622 55.800 56.400 0.037 0.000 0.907 486 E CB 0.457 30.103 29.700 -0.090 0.000 1.014 486 E HN 0.397 nan 8.360 nan 0.000 0.427 487 F N -1.157 118.528 119.950 -0.441 0.000 2.603 487 F HA 0.579 5.106 4.527 0.000 0.000 0.317 487 F C -0.770 174.781 175.800 -0.415 0.000 1.066 487 F CA -1.522 56.019 58.000 -0.766 0.000 0.941 487 F CB 1.537 39.638 39.000 -1.498 0.000 1.291 487 F HN 0.399 nan 8.300 nan 0.000 0.472 488 K N 1.068 121.302 120.400 -0.278 0.000 2.159 488 K HA 0.499 4.819 4.320 0.000 0.000 0.266 488 K C -1.085 175.456 176.600 -0.097 0.000 0.975 488 K CA -0.457 55.679 56.287 -0.252 0.000 0.865 488 K CB 1.514 33.886 32.500 -0.213 0.000 1.087 488 K HN 0.863 nan 8.250 nan 0.000 0.446 489 T N 5.301 119.785 114.554 -0.117 0.000 2.738 489 T HA 0.281 4.631 4.350 0.000 0.000 0.298 489 T C -0.118 174.480 174.700 -0.170 0.000 0.962 489 T CA -0.548 61.523 62.100 -0.049 0.000 0.972 489 T CB 0.111 68.969 68.868 -0.016 0.000 0.928 489 T HN 0.401 nan 8.240 nan 0.000 0.474 490 L N 6.345 127.421 121.223 -0.244 0.000 2.292 490 L HA 0.363 4.703 4.340 0.000 0.000 0.284 490 L C -1.679 174.801 176.870 -0.650 0.000 1.065 490 L CA -2.244 52.307 54.840 -0.482 0.000 0.806 490 L CB 1.035 42.815 42.059 -0.466 0.000 1.175 490 L HN 0.357 nan 8.230 nan 0.000 0.431 491 P HA 0.095 nan 4.420 nan 0.000 0.212 491 P C 1.050 177.786 177.300 -0.941 0.000 1.816 491 P CA -0.331 62.310 63.100 -0.765 0.000 0.944 491 P CB 0.120 31.456 31.700 -0.608 0.000 1.896 492 I N 1.227 121.348 120.570 -0.747 0.000 2.091 492 I HA -0.312 3.858 4.170 0.000 0.000 0.240 492 I C 2.364 178.350 176.117 -0.217 0.000 1.046 492 I CA 2.036 63.067 61.300 -0.449 0.000 1.306 492 I CB -2.129 35.659 38.000 -0.353 0.000 1.018 492 I HN 0.139 nan 8.210 nan 0.000 0.404 493 A N 0.159 122.870 122.820 -0.182 0.000 1.883 493 A HA -0.262 4.058 4.320 0.000 0.000 0.217 493 A C 2.395 179.938 177.584 -0.068 0.000 1.186 493 A CA 1.973 53.958 52.037 -0.087 0.000 0.624 493 A CB -0.856 18.098 19.000 -0.076 0.000 0.822 493 A HN 0.569 nan 8.150 nan 0.000 0.444 494 E N -1.128 119.001 120.200 -0.119 0.000 2.097 494 E HA -0.247 4.103 4.350 0.000 0.000 0.196 494 E C 1.745 178.394 176.600 0.082 0.000 1.000 494 E CA 1.628 57.999 56.400 -0.048 0.000 0.804 494 E CB -0.227 29.420 29.700 -0.090 0.000 0.740 494 E HN 0.797 nan 8.360 nan 0.000 0.454 495 W N 0.212 121.471 121.300 -0.069 0.000 2.392 495 W HA -0.007 4.653 4.660 0.000 0.000 0.279 495 W C 2.398 178.859 176.519 -0.096 0.000 1.225 495 W CA 0.803 58.097 57.345 -0.083 0.000 1.233 495 W CB -1.119 28.286 29.460 -0.091 0.000 1.122 495 W HN 0.194 nan 8.180 nan 0.000 0.561 496 A N 0.107 123.002 122.820 0.127 0.000 1.933 496 A HA 0.153 4.473 4.320 0.000 0.000 0.218 496 A C 1.904 179.494 177.584 0.011 0.000 1.175 496 A CA 2.328 54.386 52.037 0.035 0.000 0.628 496 A CB -1.095 17.917 19.000 0.021 0.000 0.814 496 A HN 0.700 nan 8.150 nan 0.000 0.444 497 G N -1.450 107.364 108.800 0.024 0.000 2.248 497 G HA2 -0.169 3.791 3.960 0.000 0.000 0.252 497 G HA3 -0.169 3.791 3.960 0.000 0.000 0.252 497 G C -0.141 174.755 174.900 -0.006 0.000 1.085 497 G CA 0.277 45.381 45.100 0.007 0.000 0.845 497 G HN 0.509 nan 8.290 nan 0.000 0.494 498 I N -0.572 119.995 120.570 -0.004 0.000 2.603 498 I HA 0.619 4.789 4.170 0.000 0.000 0.300 498 I C 1.183 177.293 176.117 -0.012 0.000 1.017 498 I CA -0.547 60.748 61.300 -0.008 0.000 1.098 498 I CB 2.232 40.229 38.000 -0.005 0.000 1.279 498 I HN 0.084 nan 8.210 nan 0.000 0.437 499 T N 0.602 115.148 114.554 -0.013 0.000 3.115 499 T HA 0.062 4.412 4.350 0.000 0.000 0.256 499 T C 0.402 175.092 174.700 -0.018 0.000 0.970 499 T CA -0.269 61.821 62.100 -0.016 0.000 1.010 499 T CB 0.096 68.956 68.868 -0.015 0.000 1.151 499 T HN 0.726 nan 8.240 nan 0.000 0.479 500 E N 1.660 121.851 120.200 -0.015 0.000 2.409 500 E HA 0.421 4.771 4.350 0.000 0.000 0.257 500 E C 1.131 177.719 176.600 -0.021 0.000 1.150 500 E CA 0.024 56.414 56.400 -0.016 0.000 0.942 500 E CB 0.102 29.795 29.700 -0.011 0.000 0.979 500 E HN 0.326 nan 8.360 nan 0.000 0.447 501 G N 1.495 110.281 108.800 -0.024 0.000 2.574 501 G HA2 -0.391 3.569 3.960 0.000 0.000 0.286 501 G HA3 -0.391 3.569 3.960 0.000 0.000 0.286 501 G C -0.109 174.762 174.900 -0.048 0.000 1.212 501 G CA 0.642 45.721 45.100 -0.034 0.000 0.979 501 G HN 0.724 nan 8.290 nan 0.000 0.557 502 Q N 0.905 120.663 119.800 -0.071 0.000 3.662 502 Q HA 0.359 4.699 4.340 0.000 0.000 0.237 502 Q C -2.626 173.305 176.000 -0.115 0.000 0.895 502 Q CA -1.313 54.437 55.803 -0.089 0.000 0.767 502 Q CB 1.631 30.307 28.738 -0.104 0.000 1.469 502 Q HN 0.595 nan 8.270 nan 0.000 0.424 503 P HA 0.009 nan 4.420 nan 0.000 0.264 503 P C -0.816 176.451 177.300 -0.054 0.000 1.193 503 P CA 0.280 63.349 63.100 -0.051 0.000 0.763 503 P CB 0.709 32.400 31.700 -0.015 0.000 0.810 504 R N 1.611 122.091 120.500 -0.033 0.000 2.670 504 R HA 0.567 4.907 4.340 0.000 0.000 0.289 504 R C -0.746 175.641 176.300 0.145 0.000 0.965 504 R CA -1.207 54.901 56.100 0.013 0.000 0.899 504 R CB 2.129 32.395 30.300 -0.057 0.000 1.173 504 R HN 0.230 nan 8.270 nan 0.000 0.456 505 V N 3.070 123.057 119.914 0.122 0.000 2.439 505 V HA 0.423 4.543 4.120 0.000 0.000 0.282 505 V C -0.369 175.873 176.094 0.248 0.000 1.039 505 V CA -0.476 61.920 62.300 0.160 0.000 0.913 505 V CB 1.663 33.510 31.823 0.040 0.000 0.983 505 V HN 0.475 nan 8.190 nan 0.000 0.460 506 V N 5.250 125.352 119.914 0.314 0.000 2.888 506 V HA 0.547 4.667 4.120 0.000 0.000 0.309 506 V C -0.462 175.817 176.094 0.308 0.000 1.114 506 V CA -0.374 62.142 62.300 0.360 0.000 0.940 506 V CB 1.783 33.837 31.823 0.384 0.000 1.021 506 V HN 1.060 nan 8.190 nan 0.000 0.426 507 Q N 2.896 122.909 119.800 0.356 0.000 2.821 507 Q HA -0.144 4.196 4.340 0.000 0.000 0.138 507 Q C -0.041 175.905 176.000 -0.090 0.000 1.496 507 Q CA 0.832 56.648 55.803 0.022 0.000 0.514 507 Q CB -0.751 27.622 28.738 -0.607 0.000 0.674 507 Q HN 1.372 nan 8.270 nan 0.000 0.317 508 G N 3.118 111.843 108.800 -0.124 0.000 2.467 508 G HA2 0.390 4.350 3.960 0.000 0.000 0.257 508 G HA3 0.390 4.350 3.960 0.000 0.000 0.257 508 G C -0.665 173.985 174.900 -0.416 0.000 1.227 508 G CA 0.070 44.704 45.100 -0.777 0.000 0.835 508 G HN 0.555 nan 8.290 nan 0.000 0.556 509 E N 0.689 120.631 120.200 -0.429 0.000 2.291 509 E HA 0.497 4.847 4.350 0.000 0.000 0.276 509 E C -1.394 175.159 176.600 -0.079 0.000 0.896 509 E CA -0.690 55.619 56.400 -0.151 0.000 0.774 509 E CB 0.922 30.529 29.700 -0.156 0.000 1.227 509 E HN 0.240 nan 8.360 nan 0.000 0.413 510 F N 2.966 122.901 119.950 -0.025 0.000 2.370 510 F HA 0.351 4.878 4.527 0.000 0.000 0.324 510 F C 1.304 177.103 175.800 -0.002 0.000 1.116 510 F CA -0.355 57.661 58.000 0.027 0.000 1.123 510 F CB 0.684 39.721 39.000 0.063 0.000 1.238 510 F HN 0.531 nan 8.300 nan 0.000 0.536 511 N N 1.251 120.127 118.700 0.293 0.000 2.322 511 N HA 0.044 4.784 4.740 0.000 0.000 0.270 511 N C 0.651 176.212 175.510 0.084 0.000 1.286 511 N CA -0.437 52.728 53.050 0.192 0.000 0.948 511 N CB 0.161 38.825 38.487 0.294 0.000 1.164 511 N HN 0.660 nan 8.380 nan 0.000 0.551 512 K N -1.060 119.360 120.400 0.033 0.000 2.148 512 K HA -0.098 4.222 4.320 0.000 0.000 0.204 512 K C 0.106 176.678 176.600 -0.046 0.000 1.050 512 K CA 1.292 57.574 56.287 -0.009 0.000 0.942 512 K CB -0.035 32.401 32.500 -0.106 0.000 0.724 512 K HN 0.457 nan 8.250 nan 0.000 0.446 513 D N -0.667 119.708 120.400 -0.042 0.000 2.333 513 D HA 0.025 4.665 4.640 0.000 0.000 0.208 513 D C 0.948 177.145 176.300 -0.173 0.000 0.984 513 D CA 1.076 55.041 54.000 -0.058 0.000 0.873 513 D CB 0.514 41.307 40.800 -0.012 0.000 0.935 513 D HN 0.489 nan 8.370 nan 0.000 0.521 514 G N 1.218 109.834 108.800 -0.306 0.000 2.137 514 G HA2 -0.302 3.658 3.960 0.000 0.000 0.237 514 G HA3 -0.302 3.658 3.960 0.000 0.000 0.237 514 G C 1.079 175.980 174.900 0.002 0.000 1.002 514 G CA 1.033 45.738 45.100 -0.657 0.000 0.702 514 G HN 0.421 nan 8.290 nan 0.000 0.515 515 T N -3.320 111.312 114.554 0.130 0.000 3.014 515 T HA 0.469 4.819 4.350 0.000 0.000 0.250 515 T C 0.544 175.388 174.700 0.240 0.000 1.060 515 T CA 0.965 63.178 62.100 0.188 0.000 1.040 515 T CB 0.787 69.731 68.868 0.127 0.000 0.971 515 T HN 0.489 nan 8.240 nan 0.000 0.497 516 E N 0.222 120.575 120.200 0.255 0.000 2.314 516 E HA 0.625 4.975 4.350 0.000 0.000 0.272 516 E C -1.957 174.665 176.600 0.035 0.000 0.884 516 E CA -0.913 55.605 56.400 0.196 0.000 0.753 516 E CB 3.297 33.172 29.700 0.292 0.000 1.213 516 E HN 0.071 nan 8.360 nan 0.000 0.432 517 V N 3.305 123.092 119.914 -0.211 0.000 2.448 517 V HA 0.497 4.617 4.120 0.000 0.000 0.295 517 V C -1.570 174.385 176.094 -0.231 0.000 1.025 517 V CA -0.485 61.451 62.300 -0.606 0.000 0.859 517 V CB 0.578 31.545 31.823 -1.427 0.000 0.988 517 V HN 0.582 nan 8.190 nan 0.000 0.431 518 W N 5.801 126.753 121.300 -0.580 0.000 2.496 518 W HA 0.729 5.389 4.660 0.000 0.000 0.327 518 W C -0.633 175.484 176.519 -0.670 0.000 1.086 518 W CA -1.146 55.931 57.345 -0.446 0.000 1.222 518 W CB 0.960 30.202 29.460 -0.363 0.000 1.304 518 W HN 0.381 nan 8.180 nan 0.000 0.547 519 F N 0.950 120.951 119.950 0.085 0.000 2.565 519 F HA 0.439 4.966 4.527 0.000 0.000 0.313 519 F C 0.342 176.169 175.800 0.045 0.000 1.091 519 F CA -1.068 56.959 58.000 0.044 0.000 0.915 519 F CB 1.709 40.724 39.000 0.026 0.000 1.208 519 F HN -0.021 nan 8.300 nan 0.000 0.453 520 S N 1.524 117.358 115.700 0.222 0.000 2.499 520 S HA 0.492 4.962 4.470 0.000 0.000 0.279 520 S C -0.485 174.237 174.600 0.203 0.000 1.219 520 S CA -0.711 57.586 58.200 0.162 0.000 1.062 520 S CB 1.402 64.659 63.200 0.096 0.000 0.978 520 S HN 0.330 nan 8.310 nan 0.000 0.489 521 V N 4.501 124.515 119.914 0.166 0.000 2.270 521 V HA 0.175 4.295 4.120 0.000 0.000 0.263 521 V C -0.588 175.646 176.094 0.233 0.000 1.066 521 V CA -0.663 61.732 62.300 0.160 0.000 0.857 521 V CB -0.262 31.614 31.823 0.088 0.000 1.099 521 V HN 0.883 nan 8.190 nan 0.000 0.476 522 W N 6.577 127.905 121.300 0.047 0.000 2.358 522 W HA 0.496 5.156 4.660 -0.000 0.000 0.307 522 W C -0.213 176.328 176.519 0.038 0.000 1.203 522 W CA -0.644 56.730 57.345 0.048 0.000 1.279 522 W CB 0.531 30.029 29.460 0.065 0.000 1.264 522 W HN 0.456 nan 8.180 nan 0.000 0.474 523 N N 2.584 121.413 118.700 0.215 0.000 2.545 523 N HA 0.590 5.330 4.740 0.000 0.000 0.289 523 N C -0.108 175.426 175.510 0.040 0.000 1.279 523 N CA -0.390 52.667 53.050 0.012 0.000 0.824 523 N CB 1.770 40.282 38.487 0.043 0.000 1.395 523 N HN 0.523 nan 8.380 nan 0.000 0.526 524 G N 0.359 109.147 108.800 -0.020 0.000 2.630 524 G HA2 0.001 3.961 3.960 0.000 0.000 0.236 524 G HA3 0.001 3.961 3.960 0.000 0.000 0.236 524 G C 0.959 175.907 174.900 0.080 0.000 1.248 524 G CA -0.069 45.043 45.100 0.020 0.000 0.844 524 G HN 0.741 nan 8.290 nan 0.000 0.588 525 K N -0.331 120.127 120.400 0.097 0.000 2.113 525 K HA -0.151 4.169 4.320 0.000 0.000 0.208 525 K C 0.876 177.514 176.600 0.063 0.000 1.047 525 K CA 1.893 58.237 56.287 0.095 0.000 0.928 525 K CB 0.037 32.590 32.500 0.088 0.000 0.716 525 K HN 0.413 nan 8.250 nan 0.000 0.446 526 D N 0.404 120.829 120.400 0.042 0.000 2.342 526 D HA 0.067 4.707 4.640 0.000 0.000 0.221 526 D C -0.166 176.147 176.300 0.023 0.000 1.101 526 D CA 0.307 54.324 54.000 0.027 0.000 0.837 526 D CB 0.495 41.303 40.800 0.015 0.000 0.938 526 D HN 0.345 nan 8.370 nan 0.000 0.508 527 Q N -0.023 119.795 119.800 0.030 0.000 2.418 527 Q HA 0.334 4.674 4.340 0.000 0.000 0.276 527 Q C -0.264 175.756 176.000 0.032 0.000 1.081 527 Q CA -0.822 54.995 55.803 0.022 0.000 0.864 527 Q CB 2.051 30.796 28.738 0.011 0.000 1.384 527 Q HN -0.044 nan 8.270 nan 0.000 0.467 528 E N 0.410 120.624 120.200 0.023 0.000 2.259 528 E HA 0.232 4.582 4.350 0.000 0.000 0.281 528 E C -0.975 175.649 176.600 0.039 0.000 1.037 528 E CA 0.010 56.426 56.400 0.026 0.000 0.854 528 E CB 0.741 30.447 29.700 0.011 0.000 1.051 528 E HN 0.411 nan 8.360 nan 0.000 0.409 529 S N 1.593 117.326 115.700 0.055 0.000 2.786 529 S HA 0.939 5.409 4.470 0.000 0.000 0.307 529 S C -0.980 173.649 174.600 0.047 0.000 1.121 529 S CA -0.310 57.935 58.200 0.076 0.000 0.975 529 S CB 1.791 65.065 63.200 0.123 0.000 1.220 529 S HN 0.730 nan 8.310 nan 0.000 0.550 530 A N 0.260 123.112 122.820 0.053 0.000 2.566 530 A HA 0.697 5.017 4.320 0.000 0.000 0.290 530 A C -2.289 175.305 177.584 0.017 0.000 1.071 530 A CA -0.740 51.305 52.037 0.013 0.000 0.658 530 A CB 0.575 19.566 19.000 -0.014 0.000 1.285 530 A HN 0.596 nan 8.150 nan 0.000 0.427 531 L N 0.629 121.827 121.223 -0.042 0.000 2.356 531 L HA 0.648 4.988 4.340 0.000 0.000 0.277 531 L C -0.838 175.934 176.870 -0.163 0.000 0.996 531 L CA -1.063 53.735 54.840 -0.070 0.000 0.822 531 L CB 1.797 43.797 42.059 -0.098 0.000 1.256 531 L HN 0.415 nan 8.230 nan 0.000 0.413 532 V N 3.893 123.761 119.914 -0.076 0.000 2.394 532 V HA 0.339 4.459 4.120 0.000 0.000 0.282 532 V C 0.103 176.101 176.094 -0.159 0.000 1.031 532 V CA -0.597 61.660 62.300 -0.070 0.000 0.881 532 V CB 2.015 33.909 31.823 0.120 0.000 0.982 532 V HN 0.444 nan 8.190 nan 0.000 0.451 533 V N 6.126 125.829 119.914 -0.351 0.000 2.370 533 V HA 0.407 4.527 4.120 0.000 0.000 0.279 533 V C 0.039 176.064 176.094 -0.115 0.000 1.029 533 V CA -0.535 61.514 62.300 -0.418 0.000 0.870 533 V CB 1.587 32.945 31.823 -0.775 0.000 0.984 533 V HN 0.584 nan 8.190 nan 0.000 0.451 534 V N 3.660 123.604 119.914 0.050 0.000 2.472 534 V HA 0.279 4.399 4.120 0.000 0.000 0.290 534 V C -0.017 176.139 176.094 0.104 0.000 1.037 534 V CA -0.567 61.825 62.300 0.154 0.000 0.908 534 V CB 1.927 33.963 31.823 0.354 0.000 0.985 534 V HN 1.005 nan 8.190 nan 0.000 0.454 535 D N 2.556 123.012 120.400 0.094 0.000 2.339 535 D HA 0.074 4.714 4.640 0.000 0.000 0.256 535 D C 0.927 177.348 176.300 0.201 0.000 1.214 535 D CA -0.004 54.068 54.000 0.119 0.000 0.877 535 D CB 1.119 41.963 40.800 0.072 0.000 1.111 535 D HN 0.688 nan 8.370 nan 0.000 0.478 536 D N 3.158 123.710 120.400 0.254 0.000 2.117 536 D HA -0.198 4.442 4.640 0.000 0.000 0.197 536 D C 1.363 177.918 176.300 0.424 0.000 0.987 536 D CA 1.492 55.738 54.000 0.410 0.000 0.829 536 D CB 0.330 41.424 40.800 0.490 0.000 0.961 536 D HN 0.314 nan 8.370 nan 0.000 0.460 537 K N -0.882 119.702 120.400 0.306 0.000 2.057 537 K HA -0.062 4.258 4.320 0.000 0.000 0.207 537 K C 2.117 178.867 176.600 0.249 0.000 1.049 537 K CA 1.787 58.242 56.287 0.280 0.000 0.931 537 K CB -0.243 32.365 32.500 0.180 0.000 0.714 537 K HN 0.337 nan 8.250 nan 0.000 0.440 538 T N -1.962 112.693 114.554 0.169 0.000 3.040 538 T HA 0.213 4.563 4.350 0.000 0.000 0.250 538 T C 0.667 175.413 174.700 0.076 0.000 1.058 538 T CA -0.275 61.889 62.100 0.106 0.000 0.988 538 T CB -0.164 68.740 68.868 0.060 0.000 0.993 538 T HN 0.161 nan 8.240 nan 0.000 0.519 539 L N 0.557 121.844 121.223 0.107 0.000 3.717 539 L HA -0.175 4.165 4.340 0.000 0.000 0.414 539 L C -0.292 176.686 176.870 0.180 0.000 1.228 539 L CA 0.477 55.386 54.840 0.115 0.000 0.918 539 L CB -1.904 40.112 42.059 -0.072 0.000 1.865 539 L HN 0.530 nan 8.230 nan 0.000 0.922 540 E N -0.168 120.084 120.200 0.088 0.000 2.299 540 E HA 0.532 4.882 4.350 0.000 0.000 0.265 540 E C -0.407 175.995 176.600 -0.330 0.000 0.911 540 E CA -1.293 55.042 56.400 -0.109 0.000 0.789 540 E CB 2.406 32.028 29.700 -0.129 0.000 1.246 540 E HN 0.095 nan 8.360 nan 0.000 0.427 541 L N 2.550 123.186 121.223 -0.978 0.000 2.559 541 L HA -0.031 4.309 4.340 0.000 0.000 0.274 541 L C 0.788 177.403 176.870 -0.425 0.000 1.205 541 L CA 0.835 55.130 54.840 -0.908 0.000 0.907 541 L CB 0.440 41.697 42.059 -1.336 0.000 1.153 541 L HN 0.489 nan 8.230 nan 0.000 0.490 542 K N 3.377 123.615 120.400 -0.270 0.000 2.240 542 K HA 0.161 4.481 4.320 0.000 0.000 0.202 542 K C -0.445 176.028 176.600 -0.211 0.000 1.053 542 K CA 0.824 57.002 56.287 -0.181 0.000 0.973 542 K CB 0.064 32.503 32.500 -0.102 0.000 0.924 542 K HN 0.838 nan 8.250 nan 0.000 0.477 543 H N -1.685 117.097 119.070 -0.481 0.000 3.094 543 H HA 0.466 5.021 4.556 0.000 0.000 0.335 543 H C -2.020 172.984 175.328 -0.540 0.000 1.254 543 H CA -0.748 54.946 56.048 -0.592 0.000 1.240 543 H CB 1.481 30.588 29.762 -1.091 0.000 1.936 543 H HN -0.161 nan 8.280 nan 0.000 0.536 544 V N 5.955 125.366 119.914 -0.838 0.000 2.378 544 V HA 0.344 4.464 4.120 0.000 0.000 0.288 544 V C -0.048 175.761 176.094 -0.475 0.000 1.016 544 V CA -0.514 61.491 62.300 -0.492 0.000 0.840 544 V CB 1.215 32.842 31.823 -0.327 0.000 0.994 544 V HN 0.568 nan 8.190 nan 0.000 0.431 545 I N 5.685 126.097 120.570 -0.263 0.000 2.297 545 I HA 0.430 4.600 4.170 0.000 0.000 0.291 545 I C 0.054 176.118 176.117 -0.088 0.000 1.033 545 I CA -0.241 60.981 61.300 -0.129 0.000 1.253 545 I CB 0.768 38.683 38.000 -0.143 0.000 1.396 545 I HN 0.496 nan 8.210 nan 0.000 0.476 546 K N 5.238 125.599 120.400 -0.064 0.000 2.316 546 K HA 0.596 4.916 4.320 0.000 0.000 0.251 546 K C -1.175 175.418 176.600 -0.012 0.000 0.934 546 K CA -0.857 55.408 56.287 -0.036 0.000 0.802 546 K CB 2.428 34.899 32.500 -0.048 0.000 1.171 546 K HN 0.453 nan 8.250 nan 0.000 0.426 547 D N 1.098 121.499 120.400 0.002 0.000 2.706 547 D HA 0.003 4.643 4.640 0.000 0.000 0.227 547 D C 0.034 176.344 176.300 0.017 0.000 1.233 547 D CA -0.283 53.723 54.000 0.011 0.000 0.768 547 D CB 1.840 42.651 40.800 0.017 0.000 1.490 547 D HN 0.609 nan 8.370 nan 0.000 0.458 548 E N 1.169 121.378 120.200 0.016 0.000 2.070 548 E HA -0.202 4.148 4.350 0.000 0.000 0.197 548 E C 1.430 178.046 176.600 0.026 0.000 1.004 548 E CA 1.360 57.771 56.400 0.019 0.000 0.805 548 E CB 0.249 29.958 29.700 0.016 0.000 0.744 548 E HN 0.314 nan 8.360 nan 0.000 0.451 549 R N -0.084 120.432 120.500 0.028 0.000 2.316 549 R HA -0.037 4.303 4.340 0.000 0.000 0.202 549 R C 0.680 177.005 176.300 0.042 0.000 1.029 549 R CA 0.006 56.126 56.100 0.034 0.000 1.018 549 R CB -0.092 30.227 30.300 0.032 0.000 0.888 549 R HN 0.066 nan 8.270 nan 0.000 0.471 550 L N 1.909 123.157 121.223 0.042 0.000 2.391 550 L HA 0.110 4.450 4.340 0.000 0.000 0.249 550 L C -0.704 176.204 176.870 0.064 0.000 1.308 550 L CA 0.033 54.904 54.840 0.051 0.000 1.209 550 L CB 0.459 42.545 42.059 0.045 0.000 1.401 550 L HN -0.202 nan 8.230 nan 0.000 0.416 551 V N 2.514 122.470 119.914 0.069 0.000 2.461 551 V HA 0.186 4.306 4.120 0.000 0.000 0.275 551 V C 0.936 177.096 176.094 0.110 0.000 1.047 551 V CA -0.013 62.340 62.300 0.089 0.000 0.955 551 V CB 0.696 32.567 31.823 0.080 0.000 0.988 551 V HN 0.848 nan 8.190 nan 0.000 0.471 552 T N 4.268 118.925 114.554 0.172 0.000 3.361 552 T HA -0.122 4.228 4.350 0.000 0.000 0.417 552 T C -1.707 173.021 174.700 0.046 0.000 0.769 552 T CA -0.070 62.183 62.100 0.254 0.000 2.085 552 T CB -1.658 67.400 68.868 0.317 0.000 1.689 552 T HN 0.595 nan 8.240 nan 0.000 0.639 553 P HA 0.253 nan 4.420 nan 0.000 0.276 553 P C 0.947 178.134 177.300 -0.188 0.000 1.243 553 P CA 0.032 63.111 63.100 -0.035 0.000 0.768 553 P CB 1.590 33.314 31.700 0.039 0.000 0.856 554 T N 0.793 115.179 114.554 -0.280 0.000 3.216 554 T HA 0.336 4.686 4.350 0.000 0.000 0.167 554 T C 1.021 175.554 174.700 -0.278 0.000 0.905 554 T CA 0.150 62.004 62.100 -0.411 0.000 1.042 554 T CB -0.844 67.587 68.868 -0.728 0.000 1.787 554 T HN 0.322 nan 8.240 nan 0.000 0.355 555 G N 2.232 110.861 108.800 -0.286 0.000 2.365 555 G HA2 0.485 4.445 3.960 0.000 0.000 0.249 555 G HA3 0.485 4.445 3.960 0.000 0.000 0.249 555 G C -0.918 173.732 174.900 -0.417 0.000 1.288 555 G CA -0.398 44.477 45.100 -0.376 0.000 0.887 555 G HN 0.606 nan 8.290 nan 0.000 0.524 556 K N 1.186 121.150 120.400 -0.727 0.000 2.376 556 K HA 0.453 4.773 4.320 0.000 0.000 0.257 556 K C -1.496 174.591 176.600 -0.855 0.000 0.939 556 K CA -0.450 55.561 56.287 -0.459 0.000 0.809 556 K CB 2.124 34.544 32.500 -0.133 0.000 1.121 556 K HN 0.369 nan 8.250 nan 0.000 0.425 557 F N 1.728 121.643 119.950 -0.058 0.000 2.499 557 F HA 0.237 4.764 4.527 0.000 0.000 0.333 557 F C 0.381 175.978 175.800 -0.339 0.000 1.138 557 F CA -0.983 56.923 58.000 -0.157 0.000 0.945 557 F CB 1.373 40.321 39.000 -0.088 0.000 1.181 557 F HN 0.448 nan 8.300 nan 0.000 0.435 558 N N 2.687 121.108 118.700 -0.464 0.000 2.475 558 N HA 0.076 4.816 4.740 0.000 0.000 0.267 558 N C 0.989 176.363 175.510 -0.227 0.000 1.169 558 N CA -0.019 52.576 53.050 -0.759 0.000 0.947 558 N CB 1.466 39.384 38.487 -0.949 0.000 1.061 558 N HN 0.474 nan 8.380 nan 0.000 0.466 559 V N 4.688 124.516 119.914 -0.144 0.000 2.252 559 V HA -0.292 3.828 4.120 0.000 0.000 0.249 559 V C 1.803 177.928 176.094 0.053 0.000 1.056 559 V CA 1.833 64.137 62.300 0.007 0.000 1.022 559 V CB -1.077 30.781 31.823 0.057 0.000 0.641 559 V HN 0.756 nan 8.190 nan 0.000 0.445 560 Y N 1.535 121.819 120.300 -0.026 0.000 2.145 560 Y HA -0.214 4.336 4.550 0.000 0.000 0.286 560 Y C 2.548 178.476 175.900 0.048 0.000 1.145 560 Y CA 2.076 60.190 58.100 0.022 0.000 1.148 560 Y CB -0.263 38.213 38.460 0.027 0.000 0.981 560 Y HN 0.301 nan 8.280 nan 0.000 0.507 561 N N -0.865 117.944 118.700 0.182 0.000 2.381 561 N HA -0.118 4.622 4.740 0.000 0.000 0.182 561 N C 1.576 177.158 175.510 0.120 0.000 1.025 561 N CA 1.685 54.833 53.050 0.164 0.000 0.888 561 N CB -0.412 38.202 38.487 0.210 0.000 0.965 561 N HN 0.405 nan 8.380 nan 0.000 0.438 562 T N 1.571 116.175 114.554 0.083 0.000 2.894 562 T HA 0.007 4.357 4.350 0.000 0.000 0.258 562 T C 2.025 176.750 174.700 0.040 0.000 1.043 562 T CA 0.706 62.864 62.100 0.097 0.000 1.141 562 T CB -0.057 68.857 68.868 0.077 0.000 0.873 562 T HN 0.357 nan 8.240 nan 0.000 0.449 563 M N 2.132 121.718 119.600 -0.023 0.000 2.213 563 M HA -0.039 4.441 4.480 0.000 0.000 0.263 563 M C 2.018 178.275 176.300 -0.072 0.000 1.062 563 M CA 1.965 57.234 55.300 -0.052 0.000 1.105 563 M CB -0.953 31.602 32.600 -0.076 0.000 1.385 563 M HN 0.238 nan 8.290 nan 0.000 0.417 564 T N -3.896 110.577 114.554 -0.135 0.000 3.069 564 T HA 0.157 4.507 4.350 0.000 0.000 0.252 564 T C -0.074 174.667 174.700 0.069 0.000 1.053 564 T CA 0.041 62.099 62.100 -0.071 0.000 0.964 564 T CB -0.265 68.435 68.868 -0.280 0.000 1.005 564 T HN 0.497 nan 8.240 nan 0.000 0.532 565 D N 1.452 121.901 120.400 0.082 0.000 2.746 565 D HA -0.107 4.533 4.640 0.000 0.000 0.241 565 D C -0.785 175.468 176.300 -0.078 0.000 1.140 565 D CA 0.901 54.958 54.000 0.096 0.000 0.707 565 D CB -1.914 38.836 40.800 -0.084 0.000 1.034 565 D HN 0.451 nan 8.370 nan 0.000 0.423 566 T N 1.292 115.852 114.554 0.010 0.000 2.781 566 T HA 0.537 4.887 4.350 0.000 0.000 0.305 566 T C -0.002 174.719 174.700 0.035 0.000 1.001 566 T CA -0.496 61.557 62.100 -0.077 0.000 0.950 566 T CB 0.465 69.333 68.868 -0.001 0.000 0.955 566 T HN 0.290 nan 8.240 nan 0.000 0.471 567 Y N 0.000 120.364 120.300 0.107 0.000 2.660 567 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 567 Y CA 0.000 58.184 58.100 0.141 0.000 1.940 567 Y CB 0.000 38.585 38.460 0.208 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758