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 3cih_1_A DATA FIRST_RESID 18 DATA SEQUENCE QTWIWYPGDY EIWLGNQXNN RRTERGAFFP PFWKTDSHYV VVEFSKVLNL DATA SEQUENCE SEPEEVFIAA EGTYNVKLDG KLQFGXPETL LLPAGKHSLN IKVWNQATPP DATA SEQUENCE TIYVKGKTVN SDSSWRVTYE DKEWIDESGK ASDTSATIYX DAGCWNFDGA DATA SEQUENCE TQRPSQFSLX REPQQPVAKT EQPEGGILYD FGKETFGFIT LKNLSGKGKI DATA SEQUENCE DLYYGESPEE AKDKAYCETL DKLLLEPGQI TDLAIRSTSP LHHSDNEYTL DATA SEQUENCE ENSKAFRYVY ITHEPEVQIG EVSXQYEYLP EEYRGNFRCN DEELNCIWEV DATA SEQUENCE GAYTXHLTTR EFFIDGIKRD RWVWSGDAIQ SYLXNYYLFF DSESVKRTIW DATA SEQUENCE LLRGKDPVTS HSNTIXDYTF YWFLSVYDYY XYSGDRHFVN QLYPRXQTXX DATA SEQUENCE DYVLGRTNKN GXVEGXSGDW VFVDWADGYL DKKGELSFEQ VLFCRSLETX DATA SEQUENCE ALCADLVGDK DGQQKYEKLA SALKAKLEPT FWNNQKQAFV HNCVDGRQSD DATA SEQUENCE AVTRYANXFS VFFDYLNADK QQAIKQSVLL NDEILKITTP YXRFYELEAL DATA SEQUENCE CALGEQETVX KEXKAYWGGX LKAGATSFWE KYNPEESGTQ HLAXYGRPYG DATA SEQUENCE KSLCHAWGAS PIYLLGKYYL GVKPTKEGYK EFAVSPVLGG LKWXEGTVPT DATA SEQUENCE PNGDIHVYXD NKTIKVKATE GKGYLTIQSR RQPKANXGTV EKVSEGVWRL DATA SEQUENCE WIDSPEERIV TYRL 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 18 Q HA 0.000 nan 4.340 nan 0.000 0.214 18 Q C 0.000 175.893 176.000 -0.178 0.000 1.003 18 Q CA 0.000 55.664 55.803 -0.232 0.000 1.022 18 Q CB 0.000 28.474 28.738 -0.441 0.000 1.108 19 T N -0.315 114.092 114.554 -0.245 0.000 2.786 19 T HA 0.593 4.942 4.350 -0.002 0.000 0.316 19 T C -1.682 172.985 174.700 -0.056 0.000 1.503 19 T CA -0.386 61.707 62.100 -0.011 0.000 1.019 19 T CB 0.665 69.547 68.868 0.023 0.000 1.415 19 T HN 0.443 nan 8.240 nan 0.000 0.496 20 W N 3.456 124.840 121.300 0.141 0.000 2.216 20 W HA 0.551 5.209 4.660 -0.002 0.000 0.326 20 W C 0.562 176.952 176.519 -0.216 0.000 1.319 20 W CA -0.260 57.121 57.345 0.060 0.000 1.213 20 W CB 0.299 29.867 29.460 0.181 0.000 1.171 20 W HN 0.604 nan 8.180 nan 0.000 0.557 21 I N 1.695 122.203 120.570 -0.103 0.000 2.892 21 I HA 0.892 5.061 4.170 -0.002 0.000 0.306 21 I C -1.086 175.085 176.117 0.090 0.000 1.078 21 I CA -1.242 59.856 61.300 -0.336 0.000 1.032 21 I CB 2.006 39.812 38.000 -0.323 0.000 1.229 21 I HN 0.629 nan 8.210 nan 0.000 0.435 22 W N 2.000 123.517 121.300 0.362 0.000 2.961 22 W HA 0.522 5.181 4.660 -0.002 0.000 0.368 22 W C -1.935 174.827 176.519 0.404 0.000 1.213 22 W CA -1.478 56.178 57.345 0.518 0.000 1.173 22 W CB -0.003 29.645 29.460 0.312 0.000 1.487 22 W HN 0.607 nan 8.180 nan 0.000 0.585 23 Y N 5.210 125.838 120.300 0.548 0.000 2.465 23 Y HA 0.274 4.823 4.550 -0.002 0.000 0.331 23 Y C -1.617 174.515 175.900 0.387 0.000 1.102 23 Y CA -1.784 56.513 58.100 0.327 0.000 1.358 23 Y CB 0.498 39.145 38.460 0.312 0.000 1.213 23 Y HN 0.065 nan 8.280 nan 0.000 0.525 24 P HA -0.019 nan 4.420 nan 0.000 0.261 24 P C 0.718 177.704 177.300 -0.522 0.000 1.173 24 P CA 1.792 64.814 63.100 -0.130 0.000 0.760 24 P CB 0.753 32.369 31.700 -0.140 0.000 0.783 25 G N 3.631 111.902 108.800 -0.881 0.000 2.320 25 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.242 25 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.242 25 G C 0.944 175.735 174.900 -0.182 0.000 1.033 25 G CA 0.540 45.028 45.100 -1.020 0.000 0.620 25 G HN 0.440 nan 8.290 nan 0.000 0.517 26 D N -0.631 119.804 120.400 0.059 0.000 2.144 26 D HA 0.004 4.643 4.640 -0.002 0.000 0.199 26 D C 1.764 178.081 176.300 0.029 0.000 0.984 26 D CA 1.400 55.470 54.000 0.117 0.000 0.834 26 D CB -0.228 40.732 40.800 0.267 0.000 0.955 26 D HN 0.555 nan 8.370 nan 0.000 0.465 27 Y N 1.594 121.692 120.300 -0.336 0.000 2.184 27 Y HA -0.135 4.414 4.550 -0.002 0.000 0.290 27 Y C 1.922 177.764 175.900 -0.096 0.000 1.129 27 Y CA 1.482 59.253 58.100 -0.549 0.000 1.144 27 Y CB -0.123 37.316 38.460 -1.702 0.000 0.995 27 Y HN -0.161 nan 8.280 nan 0.000 0.513 28 E N 0.588 120.759 120.200 -0.048 0.000 2.085 28 E HA -0.207 4.141 4.350 -0.002 0.000 0.194 28 E C 2.224 178.918 176.600 0.156 0.000 0.994 28 E CA 2.004 58.496 56.400 0.155 0.000 0.801 28 E CB -0.435 29.448 29.700 0.305 0.000 0.743 28 E HN 0.575 nan 8.360 nan 0.000 0.453 29 I N -0.670 119.940 120.570 0.066 0.000 2.179 29 I HA -0.229 3.940 4.170 -0.002 0.000 0.242 29 I C 2.203 178.313 176.117 -0.011 0.000 1.088 29 I CA 1.179 62.482 61.300 0.006 0.000 1.357 29 I CB -0.292 37.715 38.000 0.011 0.000 1.051 29 I HN 0.283 nan 8.210 nan 0.000 0.409 30 W N 1.470 122.699 121.300 -0.119 0.000 2.358 30 W HA -0.253 4.405 4.660 -0.002 0.000 0.303 30 W C 2.239 178.666 176.519 -0.154 0.000 1.208 30 W CA 1.304 58.589 57.345 -0.100 0.000 1.274 30 W CB -0.283 29.125 29.460 -0.085 0.000 1.138 30 W HN 0.050 nan 8.180 nan 0.000 0.515 31 L N 1.111 122.216 121.223 -0.196 0.000 2.141 31 L HA 0.127 4.465 4.340 -0.002 0.000 0.209 31 L C 2.390 179.207 176.870 -0.088 0.000 1.094 31 L CA 2.439 57.089 54.840 -0.317 0.000 0.763 31 L CB -1.217 40.709 42.059 -0.223 0.000 0.908 31 L HN 0.102 nan 8.230 nan 0.000 0.437 32 G N -1.025 107.715 108.800 -0.100 0.000 2.403 32 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.216 32 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.216 32 G C 1.381 176.078 174.900 -0.338 0.000 1.154 32 G CA 0.618 45.443 45.100 -0.458 0.000 0.784 32 G HN 0.408 nan 8.290 nan 0.000 0.538 33 N N 0.315 118.818 118.700 -0.329 0.000 2.120 33 N HA -0.039 4.700 4.740 -0.002 0.000 0.188 33 N C 1.528 176.862 175.510 -0.292 0.000 1.024 33 N CA 0.402 53.270 53.050 -0.302 0.000 0.852 33 N CB -0.355 37.958 38.487 -0.291 0.000 1.003 33 N HN 0.524 nan 8.380 nan 0.000 0.424 37 N N 1.501 120.251 118.700 0.083 0.000 2.575 37 N HA 0.079 4.818 4.740 -0.002 0.000 0.192 37 N C 1.074 176.762 175.510 0.297 0.000 1.200 37 N CA 0.369 53.565 53.050 0.243 0.000 0.897 37 N CB 0.056 38.709 38.487 0.276 0.000 0.990 37 N HN 0.307 nan 8.380 nan 0.000 0.449 38 R N 0.042 120.657 120.500 0.190 0.000 2.300 38 R HA 0.120 4.459 4.340 -0.002 0.000 0.199 38 R C 0.750 177.138 176.300 0.147 0.000 0.920 38 R CA -0.227 55.965 56.100 0.154 0.000 1.046 38 R CB 0.408 30.770 30.300 0.104 0.000 0.984 38 R HN 0.136 nan 8.270 nan 0.000 0.493 39 R N 2.001 122.596 120.500 0.159 0.000 2.623 39 R HA 0.001 4.340 4.340 -0.002 0.000 0.271 39 R C -0.613 175.763 176.300 0.126 0.000 1.043 39 R CA 0.761 56.890 56.100 0.047 0.000 1.083 39 R CB 0.598 30.805 30.300 -0.154 0.000 0.974 39 R HN -0.018 nan 8.270 nan 0.000 0.436 40 T N 0.026 114.631 114.554 0.086 0.000 2.896 40 T HA 0.337 4.686 4.350 -0.002 0.000 0.297 40 T C -0.999 173.789 174.700 0.146 0.000 1.108 40 T CA -1.003 61.185 62.100 0.146 0.000 1.004 40 T CB 1.891 70.821 68.868 0.103 0.000 1.159 40 T HN 0.673 nan 8.240 nan 0.000 0.499 41 E N 0.735 121.038 120.200 0.172 0.000 2.255 41 E HA 0.374 4.723 4.350 -0.002 0.000 0.256 41 E C -0.487 176.172 176.600 0.098 0.000 0.887 41 E CA -0.819 55.671 56.400 0.151 0.000 0.782 41 E CB 0.781 30.599 29.700 0.197 0.000 1.214 41 E HN 0.741 nan 8.360 nan 0.000 0.417 42 R N 2.906 123.470 120.500 0.107 0.000 3.225 42 R HA -0.272 4.067 4.340 -0.002 0.000 0.245 42 R C 0.732 177.075 176.300 0.072 0.000 0.928 42 R CA 0.781 56.940 56.100 0.098 0.000 0.632 42 R CB -1.854 28.497 30.300 0.086 0.000 1.038 42 R HN 1.022 nan 8.270 nan 0.000 0.461 43 G N -2.175 106.671 108.800 0.076 0.000 2.179 43 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.260 43 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.260 43 G C 0.110 175.055 174.900 0.074 0.000 0.977 43 G CA 0.126 45.265 45.100 0.066 0.000 0.641 43 G HN 0.916 nan 8.290 nan 0.000 0.533 44 A N -0.024 122.843 122.820 0.077 0.000 2.318 44 A HA 0.737 5.056 4.320 -0.002 0.000 0.324 44 A C -0.073 177.603 177.584 0.154 0.000 1.170 44 A CA -0.500 51.589 52.037 0.086 0.000 0.810 44 A CB 0.815 19.816 19.000 0.002 0.000 1.198 44 A HN 1.531 nan 8.150 nan 0.000 0.484 45 F N 2.659 122.636 119.950 0.045 0.000 2.607 45 F HA 0.317 4.843 4.527 -0.002 0.000 0.374 45 F C -0.614 175.285 175.800 0.165 0.000 1.104 45 F CA -0.092 57.961 58.000 0.088 0.000 1.296 45 F CB -0.023 39.003 39.000 0.044 0.000 1.085 45 F HN 0.433 nan 8.300 nan 0.000 0.584 46 F N 9.226 128.917 119.950 -0.431 0.000 2.824 46 F HA 0.359 4.885 4.527 -0.002 0.000 0.375 46 F C -2.471 173.179 175.800 -0.250 0.000 1.190 46 F CA -2.461 55.313 58.000 -0.376 0.000 1.180 46 F CB 0.921 39.869 39.000 -0.088 0.000 1.477 46 F HN 0.396 nan 8.300 nan 0.000 0.542 47 P HA 0.285 nan 4.420 nan 0.000 0.276 47 P C -2.825 174.166 177.300 -0.516 0.000 1.261 47 P CA -1.604 61.292 63.100 -0.340 0.000 0.800 47 P CB 0.603 32.062 31.700 -0.402 0.000 1.066 48 P HA 0.029 nan 4.420 nan 0.000 0.270 48 P C 0.486 176.987 177.300 -1.331 0.000 1.223 48 P CA 0.150 61.795 63.100 -2.425 0.000 0.785 48 P CB -0.070 29.639 31.700 -3.319 0.000 0.923 49 F N -1.114 118.227 119.950 -1.015 0.000 2.743 49 F HA 0.253 4.778 4.527 -0.002 0.000 0.297 49 F C 0.402 176.033 175.800 -0.281 0.000 1.131 49 F CA -0.886 56.883 58.000 -0.385 0.000 1.426 49 F CB -1.108 37.853 39.000 -0.064 0.000 1.116 49 F HN 0.220 nan 8.300 nan 0.000 0.583 50 W N 2.040 122.908 121.300 -0.721 0.000 2.332 50 W HA 0.441 5.100 4.660 -0.002 0.000 0.351 50 W C 0.339 176.628 176.519 -0.384 0.000 1.195 50 W CA -2.322 54.736 57.345 -0.477 0.000 1.334 50 W CB 0.239 29.316 29.460 -0.638 0.000 1.206 50 W HN -0.152 nan 8.180 nan 0.000 0.637 51 K N 1.246 121.647 120.400 0.002 0.000 2.524 51 K HA 0.041 4.360 4.320 -0.002 0.000 0.279 51 K C -0.504 176.048 176.600 -0.081 0.000 0.993 51 K CA 0.467 56.709 56.287 -0.073 0.000 1.030 51 K CB 0.244 32.703 32.500 -0.069 0.000 0.891 51 K HN 0.623 nan 8.250 nan 0.000 0.488 52 T N 4.743 119.201 114.554 -0.160 0.000 2.767 52 T HA 0.173 4.522 4.350 -0.002 0.000 0.284 52 T C -0.656 173.961 174.700 -0.138 0.000 0.973 52 T CA -0.711 61.285 62.100 -0.172 0.000 0.996 52 T CB 0.926 69.666 68.868 -0.213 0.000 0.927 52 T HN 0.545 nan 8.240 nan 0.000 0.456 53 D N 1.363 121.682 120.400 -0.135 0.000 2.388 53 D HA 0.490 5.129 4.640 -0.002 0.000 0.254 53 D C 0.001 176.212 176.300 -0.147 0.000 1.111 53 D CA -0.221 53.692 54.000 -0.145 0.000 0.993 53 D CB 1.822 42.532 40.800 -0.150 0.000 1.118 53 D HN 0.471 nan 8.370 nan 0.000 0.502 54 S N -0.855 114.732 115.700 -0.188 0.000 2.634 54 S HA 0.310 4.779 4.470 -0.002 0.000 0.296 54 S C -0.462 173.968 174.600 -0.283 0.000 1.104 54 S CA -0.844 57.225 58.200 -0.219 0.000 0.920 54 S CB 1.064 64.106 63.200 -0.264 0.000 1.111 54 S HN 0.503 nan 8.310 nan 0.000 0.493 55 H N 0.836 119.835 119.070 -0.117 0.000 2.546 55 H HA 0.325 4.880 4.556 -0.002 0.000 0.365 55 H C -1.058 174.143 175.328 -0.212 0.000 1.220 55 H CA -0.212 55.727 56.048 -0.181 0.000 1.386 55 H CB -0.128 29.618 29.762 -0.027 0.000 1.510 55 H HN 0.558 nan 8.280 nan 0.000 0.591 56 Y N 0.906 121.225 120.300 0.031 0.000 2.465 56 Y HA 0.005 4.554 4.550 -0.002 0.000 0.331 56 Y C 1.688 177.690 175.900 0.170 0.000 1.102 56 Y CA -0.090 57.972 58.100 -0.063 0.000 1.358 56 Y CB 0.956 39.265 38.460 -0.252 0.000 1.213 56 Y HN 0.544 nan 8.280 nan 0.000 0.525 57 V N 0.980 121.071 119.914 0.295 0.000 3.380 57 V HA 0.103 4.221 4.120 -0.002 0.000 0.268 57 V C 0.203 176.577 176.094 0.467 0.000 1.168 57 V CA 0.280 62.811 62.300 0.385 0.000 1.156 57 V CB -0.715 31.316 31.823 0.348 0.000 0.785 57 V HN 0.381 nan 8.190 nan 0.000 0.487 58 V N 0.196 120.310 119.914 0.334 0.000 2.612 58 V HA 0.655 4.774 4.120 -0.002 0.000 0.301 58 V C -0.649 175.573 176.094 0.213 0.000 1.059 58 V CA -0.401 62.072 62.300 0.288 0.000 0.886 58 V CB 1.817 33.734 31.823 0.157 0.000 1.007 58 V HN 0.105 nan 8.190 nan 0.000 0.426 59 V N 3.262 123.311 119.914 0.225 0.000 2.925 59 V HA 0.543 4.661 4.120 -0.002 0.000 0.311 59 V C -0.593 175.556 176.094 0.091 0.000 1.104 59 V CA -0.653 61.716 62.300 0.115 0.000 0.954 59 V CB 2.434 34.299 31.823 0.070 0.000 1.022 59 V HN 0.920 nan 8.190 nan 0.000 0.427 60 E N 2.404 122.611 120.200 0.011 0.000 2.158 60 E HA 0.530 4.879 4.350 -0.002 0.000 0.271 60 E C -1.813 174.795 176.600 0.014 0.000 0.911 60 E CA -0.449 56.014 56.400 0.106 0.000 0.767 60 E CB 1.237 31.022 29.700 0.141 0.000 1.120 60 E HN 0.496 nan 8.360 nan 0.000 0.405 61 F N 2.111 122.216 119.950 0.258 0.000 2.421 61 F HA 0.347 4.873 4.527 -0.002 0.000 0.337 61 F C 0.537 176.560 175.800 0.371 0.000 1.105 61 F CA -0.313 57.883 58.000 0.325 0.000 1.049 61 F CB 1.831 40.980 39.000 0.248 0.000 1.139 61 F HN 0.354 nan 8.300 nan 0.000 0.479 62 S N 2.037 118.036 115.700 0.498 0.000 2.579 62 S HA 0.832 5.301 4.470 -0.002 0.000 0.272 62 S C -1.439 173.021 174.600 -0.233 0.000 1.141 62 S CA -1.007 57.289 58.200 0.159 0.000 0.843 62 S CB 2.434 65.664 63.200 0.050 0.000 1.122 62 S HN 0.544 nan 8.310 nan 0.000 0.468 63 K N 1.114 121.192 120.400 -0.536 0.000 2.571 63 K HA 0.534 4.853 4.320 -0.002 0.000 0.252 63 K C -1.898 174.423 176.600 -0.464 0.000 0.956 63 K CA -0.462 55.346 56.287 -0.799 0.000 0.822 63 K CB 1.846 33.290 32.500 -1.760 0.000 1.286 63 K HN 0.658 nan 8.250 nan 0.000 0.439 64 V N 5.979 125.690 119.914 -0.339 0.000 2.488 64 V HA 0.413 4.532 4.120 -0.002 0.000 0.277 64 V C -0.103 175.880 176.094 -0.185 0.000 1.046 64 V CA -0.395 61.780 62.300 -0.209 0.000 0.986 64 V CB 0.504 32.226 31.823 -0.168 0.000 0.989 64 V HN 0.612 nan 8.190 nan 0.000 0.475 65 L N 4.417 125.573 121.223 -0.110 0.000 2.342 65 L HA 0.637 4.976 4.340 -0.002 0.000 0.271 65 L C -0.263 176.610 176.870 0.004 0.000 1.008 65 L CA -0.611 54.187 54.840 -0.069 0.000 0.818 65 L CB 1.852 43.871 42.059 -0.067 0.000 1.296 65 L HN 0.545 nan 8.230 nan 0.000 0.427 66 N N 2.561 121.258 118.700 -0.004 0.000 2.648 66 N HA 0.441 5.180 4.740 -0.002 0.000 0.261 66 N C -1.594 173.925 175.510 0.016 0.000 1.138 66 N CA -0.272 52.788 53.050 0.018 0.000 0.804 66 N CB 0.730 39.210 38.487 -0.011 0.000 1.237 66 N HN 0.474 nan 8.380 nan 0.000 0.532 67 L N 1.461 122.709 121.223 0.042 0.000 2.289 67 L HA 0.409 4.748 4.340 -0.002 0.000 0.285 67 L C 1.447 178.331 176.870 0.023 0.000 1.049 67 L CA -0.596 54.254 54.840 0.016 0.000 0.804 67 L CB 1.662 43.716 42.059 -0.008 0.000 1.195 67 L HN 0.541 nan 8.230 nan 0.000 0.428 68 S N 0.689 116.394 115.700 0.009 0.000 2.528 68 S HA 0.045 4.514 4.470 -0.002 0.000 0.219 68 S C 0.262 174.867 174.600 0.009 0.000 0.985 68 S CA -0.099 58.106 58.200 0.009 0.000 0.914 68 S CB -0.247 62.955 63.200 0.003 0.000 0.776 68 S HN 0.790 nan 8.310 nan 0.000 0.526 69 E N -0.213 119.990 120.200 0.005 0.000 2.363 69 E HA 0.519 4.868 4.350 -0.002 0.000 0.281 69 E C -3.537 173.059 176.600 -0.006 0.000 0.953 69 E CA -2.455 53.947 56.400 0.003 0.000 0.778 69 E CB 0.605 30.306 29.700 0.000 0.000 1.220 69 E HN -0.067 nan 8.360 nan 0.000 0.431 70 P HA 0.033 nan 4.420 nan 0.000 0.265 70 P C -1.203 176.084 177.300 -0.021 0.000 1.193 70 P CA 0.299 63.386 63.100 -0.021 0.000 0.765 70 P CB 0.405 32.099 31.700 -0.009 0.000 0.823 71 E N 0.354 120.534 120.200 -0.033 0.000 2.390 71 E HA 0.434 4.782 4.350 -0.002 0.000 0.277 71 E C -1.315 175.275 176.600 -0.017 0.000 0.939 71 E CA -1.078 55.310 56.400 -0.019 0.000 0.769 71 E CB 1.822 31.511 29.700 -0.018 0.000 1.251 71 E HN 0.293 nan 8.360 nan 0.000 0.450 72 E N 2.001 122.202 120.200 0.003 0.000 2.191 72 E HA 0.399 4.748 4.350 -0.002 0.000 0.278 72 E C -0.733 175.888 176.600 0.035 0.000 0.972 72 E CA -1.012 55.399 56.400 0.019 0.000 0.804 72 E CB 1.767 31.487 29.700 0.033 0.000 1.110 72 E HN 0.477 nan 8.360 nan 0.000 0.394 73 V N 1.840 121.778 119.914 0.040 0.000 2.667 73 V HA 0.568 4.687 4.120 -0.002 0.000 0.308 73 V C -0.551 175.602 176.094 0.098 0.000 1.048 73 V CA -1.030 61.303 62.300 0.054 0.000 0.928 73 V CB 1.140 32.976 31.823 0.022 0.000 1.004 73 V HN 0.636 nan 8.190 nan 0.000 0.444 74 F N 4.549 124.481 119.950 -0.030 0.000 2.394 74 F HA 0.792 5.318 4.527 -0.002 0.000 0.340 74 F C -0.363 175.407 175.800 -0.051 0.000 1.105 74 F CA -1.164 56.829 58.000 -0.012 0.000 1.124 74 F CB 0.933 39.943 39.000 0.016 0.000 1.145 74 F HN 0.506 nan 8.300 nan 0.000 0.505 75 I N 5.653 125.698 120.570 -0.876 0.000 2.466 75 I HA 0.645 4.813 4.170 -0.002 0.000 0.289 75 I C -0.722 174.836 176.117 -0.932 0.000 1.026 75 I CA -0.760 60.105 61.300 -0.725 0.000 1.078 75 I CB 1.650 39.411 38.000 -0.397 0.000 1.249 75 I HN 0.784 nan 8.210 nan 0.000 0.429 76 A N 4.886 127.269 122.820 -0.729 0.000 2.454 76 A HA 1.020 5.339 4.320 -0.002 0.000 0.302 76 A C -1.089 176.236 177.584 -0.432 0.000 1.079 76 A CA -0.525 51.228 52.037 -0.474 0.000 0.731 76 A CB 1.969 20.805 19.000 -0.273 0.000 1.299 76 A HN 0.884 nan 8.150 nan 0.000 0.413 77 A N 0.725 123.484 122.820 -0.102 0.000 2.604 77 A HA 0.686 5.005 4.320 -0.002 0.000 0.295 77 A C -1.256 176.436 177.584 0.180 0.000 1.067 77 A CA -0.517 51.520 52.037 0.000 0.000 0.683 77 A CB 1.031 19.767 19.000 -0.440 0.000 1.281 77 A HN 0.711 nan 8.150 nan 0.000 0.407 78 E N 0.696 120.984 120.200 0.147 0.000 2.055 78 E HA 0.520 4.869 4.350 -0.002 0.000 0.274 78 E C 0.228 176.831 176.600 0.005 0.000 0.949 78 E CA 0.389 56.783 56.400 -0.009 0.000 0.775 78 E CB 1.469 31.058 29.700 -0.184 0.000 1.097 78 E HN 1.617 nan 8.360 nan 0.000 0.404 79 G N 2.147 110.961 108.800 0.024 0.000 2.371 79 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.663 79 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.663 79 G C -0.458 174.525 174.900 0.139 0.000 1.311 79 G CA -1.116 43.995 45.100 0.018 0.000 0.985 79 G HN 0.316 nan 8.290 nan 0.000 0.566 80 T N 1.021 115.640 114.554 0.109 0.000 2.897 80 T HA 0.645 4.994 4.350 -0.002 0.000 0.294 80 T C -0.251 174.634 174.700 0.307 0.000 1.004 80 T CA 1.080 63.277 62.100 0.162 0.000 1.106 80 T CB 0.591 69.586 68.868 0.212 0.000 0.949 80 T HN 1.360 nan 8.240 nan 0.000 0.520 81 Y N 0.795 121.160 120.300 0.110 0.000 2.670 81 Y HA 0.725 5.274 4.550 -0.002 0.000 0.334 81 Y C -0.970 174.973 175.900 0.073 0.000 1.185 81 Y CA -1.643 56.525 58.100 0.114 0.000 1.053 81 Y CB 1.131 39.644 38.460 0.089 0.000 1.298 81 Y HN 0.633 nan 8.280 nan 0.000 0.459 82 N N -0.437 118.426 118.700 0.271 0.000 2.509 82 N HA 0.728 5.467 4.740 -0.002 0.000 0.280 82 N C -2.232 173.444 175.510 0.277 0.000 1.306 82 N CA -0.960 52.177 53.050 0.146 0.000 0.782 82 N CB 2.275 40.813 38.487 0.085 0.000 1.493 82 N HN 0.612 nan 8.380 nan 0.000 0.498 83 V N -0.385 119.641 119.914 0.187 0.000 2.577 83 V HA 0.480 4.598 4.120 -0.002 0.000 0.303 83 V C -0.609 175.563 176.094 0.131 0.000 1.042 83 V CA -0.737 61.675 62.300 0.185 0.000 0.872 83 V CB 1.461 33.394 31.823 0.184 0.000 0.998 83 V HN 0.793 nan 8.190 nan 0.000 0.423 84 K N 4.343 124.820 120.400 0.128 0.000 2.376 84 K HA 0.690 5.009 4.320 -0.002 0.000 0.257 84 K C -1.844 174.812 176.600 0.092 0.000 0.939 84 K CA -0.766 55.581 56.287 0.101 0.000 0.809 84 K CB 1.939 34.497 32.500 0.096 0.000 1.121 84 K HN 0.532 nan 8.250 nan 0.000 0.425 85 L N 5.113 126.386 121.223 0.082 0.000 2.319 85 L HA 0.340 4.679 4.340 -0.002 0.000 0.281 85 L C -1.015 175.903 176.870 0.080 0.000 1.005 85 L CA 0.367 55.256 54.840 0.083 0.000 0.828 85 L CB 1.091 43.199 42.059 0.081 0.000 1.227 85 L HN 0.790 nan 8.230 nan 0.000 0.415 86 D N 4.482 124.925 120.400 0.072 0.000 2.689 86 D HA -0.201 4.437 4.640 -0.002 0.000 0.237 86 D C 1.100 177.419 176.300 0.031 0.000 1.148 86 D CA 1.399 55.425 54.000 0.043 0.000 0.656 86 D CB -1.241 39.585 40.800 0.043 0.000 1.050 86 D HN 1.238 nan 8.370 nan 0.000 0.426 87 G N -0.802 108.019 108.800 0.035 0.000 2.179 87 G HA2 -0.385 3.574 3.960 -0.002 0.000 0.260 87 G HA3 -0.385 3.574 3.960 -0.002 0.000 0.260 87 G C 0.370 175.294 174.900 0.039 0.000 0.977 87 G CA 0.744 45.862 45.100 0.030 0.000 0.641 87 G HN 0.563 nan 8.290 nan 0.000 0.533 88 K N 1.102 121.531 120.400 0.049 0.000 2.281 88 K HA 0.665 4.984 4.320 -0.002 0.000 0.272 88 K C 0.530 177.170 176.600 0.065 0.000 1.048 88 K CA -0.882 55.437 56.287 0.054 0.000 0.898 88 K CB 0.343 32.875 32.500 0.054 0.000 1.128 88 K HN 0.189 nan 8.250 nan 0.000 0.460 89 L N 5.217 126.478 121.223 0.064 0.000 2.477 89 L HA 0.056 4.395 4.340 -0.002 0.000 0.272 89 L C 0.694 177.613 176.870 0.080 0.000 1.157 89 L CA -0.130 54.751 54.840 0.068 0.000 0.889 89 L CB 0.545 42.637 42.059 0.056 0.000 1.158 89 L HN 0.569 nan 8.230 nan 0.000 0.473 90 Q N 2.441 122.293 119.800 0.087 0.000 2.396 90 Q HA 0.198 4.537 4.340 -0.002 0.000 0.221 90 Q C -0.427 175.645 176.000 0.120 0.000 1.025 90 Q CA -0.419 55.452 55.803 0.112 0.000 0.946 90 Q CB 0.953 29.757 28.738 0.110 0.000 1.224 90 Q HN 0.380 nan 8.270 nan 0.000 0.539 91 F N 0.548 120.510 119.950 0.021 0.000 2.429 91 F HA 0.387 4.913 4.527 -0.002 0.000 0.348 91 F C 1.077 176.872 175.800 -0.009 0.000 1.109 91 F CA 1.175 59.180 58.000 0.008 0.000 1.232 91 F CB 0.251 39.256 39.000 0.009 0.000 1.157 91 F HN 0.753 nan 8.300 nan 0.000 0.564 95 E N 0.253 120.492 120.200 0.065 0.000 2.452 95 E HA 0.145 4.494 4.350 -0.002 0.000 0.197 95 E C 0.211 176.765 176.600 -0.076 0.000 1.022 95 E CA 0.580 56.949 56.400 -0.052 0.000 0.890 95 E CB 0.659 30.386 29.700 0.045 0.000 0.918 95 E HN 0.682 nan 8.360 nan 0.000 0.496 96 T N -1.189 113.387 114.554 0.036 0.000 2.894 96 T HA 0.601 4.949 4.350 -0.002 0.000 0.309 96 T C -1.228 173.506 174.700 0.056 0.000 1.208 96 T CA -0.973 61.167 62.100 0.067 0.000 1.016 96 T CB 2.053 70.997 68.868 0.127 0.000 1.192 96 T HN -0.022 nan 8.240 nan 0.000 0.491 97 L N 2.052 123.302 121.223 0.045 0.000 2.493 97 L HA 0.764 5.103 4.340 -0.002 0.000 0.265 97 L C -1.748 175.134 176.870 0.021 0.000 0.954 97 L CA -0.952 53.910 54.840 0.038 0.000 0.844 97 L CB 2.045 44.126 42.059 0.037 0.000 1.302 97 L HN 0.913 nan 8.230 nan 0.000 0.405 98 L N 5.346 126.578 121.223 0.014 0.000 2.290 98 L HA 0.543 4.882 4.340 -0.002 0.000 0.284 98 L C -1.262 175.582 176.870 -0.044 0.000 1.078 98 L CA 0.196 55.032 54.840 -0.006 0.000 0.815 98 L CB 0.691 42.752 42.059 0.003 0.000 1.162 98 L HN 0.598 nan 8.230 nan 0.000 0.435 99 L N 7.957 129.129 121.223 -0.084 0.000 2.265 99 L HA 0.505 4.844 4.340 -0.002 0.000 0.289 99 L C -2.065 174.672 176.870 -0.222 0.000 1.033 99 L CA -1.826 52.894 54.840 -0.201 0.000 0.814 99 L CB 1.165 43.103 42.059 -0.201 0.000 1.203 99 L HN 0.511 nan 8.230 nan 0.000 0.423 100 P HA 0.107 nan 4.420 nan 0.000 0.273 100 P C -0.468 176.810 177.300 -0.036 0.000 1.250 100 P CA -0.319 62.737 63.100 -0.072 0.000 0.793 100 P CB 0.647 32.432 31.700 0.141 0.000 1.011 101 A N 0.777 123.650 122.820 0.088 0.000 2.332 101 A HA 0.624 4.943 4.320 -0.002 0.000 0.258 101 A C 0.747 178.481 177.584 0.250 0.000 1.087 101 A CA 0.704 52.807 52.037 0.111 0.000 0.802 101 A CB -0.948 18.087 19.000 0.059 0.000 1.042 101 A HN 0.812 nan 8.150 nan 0.000 0.489 102 G N 0.346 109.249 108.800 0.173 0.000 2.500 102 G HA2 -0.058 3.901 3.960 -0.002 0.000 0.209 102 G HA3 -0.058 3.901 3.960 -0.002 0.000 0.209 102 G C -0.610 174.363 174.900 0.122 0.000 1.283 102 G CA -0.255 44.906 45.100 0.102 0.000 0.960 102 G HN 0.862 nan 8.290 nan 0.000 0.528 103 K N 0.880 121.233 120.400 -0.078 0.000 2.227 103 K HA 0.637 4.956 4.320 -0.002 0.000 0.280 103 K C -0.443 175.983 176.600 -0.290 0.000 1.041 103 K CA -0.275 55.963 56.287 -0.080 0.000 0.905 103 K CB 0.995 33.435 32.500 -0.099 0.000 1.068 103 K HN 0.624 nan 8.250 nan 0.000 0.470 104 H N -1.032 118.006 119.070 -0.053 0.000 2.960 104 H HA 0.355 4.909 4.556 -0.002 0.000 0.338 104 H C -1.214 174.071 175.328 -0.073 0.000 1.261 104 H CA -0.842 55.176 56.048 -0.050 0.000 1.136 104 H CB 2.068 31.807 29.762 -0.039 0.000 1.875 104 H HN 0.433 nan 8.280 nan 0.000 0.550 105 S N 1.183 116.931 115.700 0.080 0.000 2.733 105 S HA 0.413 4.881 4.470 -0.002 0.000 0.294 105 S C -1.707 172.898 174.600 0.008 0.000 1.149 105 S CA -0.611 57.584 58.200 -0.008 0.000 1.034 105 S CB 0.256 63.441 63.200 -0.024 0.000 1.015 105 S HN 0.462 nan 8.310 nan 0.000 0.486 106 L N 5.463 126.661 121.223 -0.042 0.000 2.264 106 L HA 0.672 5.010 4.340 -0.002 0.000 0.289 106 L C -1.168 175.738 176.870 0.061 0.000 1.044 106 L CA 0.086 54.932 54.840 0.010 0.000 0.807 106 L CB 0.737 42.789 42.059 -0.012 0.000 1.192 106 L HN 0.651 nan 8.230 nan 0.000 0.425 107 N N 5.877 124.653 118.700 0.127 0.000 2.399 107 N HA 0.591 5.329 4.740 -0.002 0.000 0.284 107 N C -1.310 174.339 175.510 0.231 0.000 1.025 107 N CA -0.244 52.917 53.050 0.185 0.000 0.885 107 N CB 1.901 40.471 38.487 0.140 0.000 1.339 107 N HN 0.465 nan 8.380 nan 0.000 0.487 108 I N 1.193 121.951 120.570 0.314 0.000 2.420 108 I HA 0.287 4.455 4.170 -0.002 0.000 0.282 108 I C -0.257 176.086 176.117 0.378 0.000 1.019 108 I CA -0.670 60.809 61.300 0.297 0.000 1.130 108 I CB 1.486 39.601 38.000 0.192 0.000 1.262 108 I HN 0.239 nan 8.210 nan 0.000 0.454 109 K N 5.886 126.479 120.400 0.322 0.000 2.234 109 K HA 0.659 4.977 4.320 -0.002 0.000 0.277 109 K C -1.115 175.705 176.600 0.366 0.000 1.038 109 K CA -0.449 56.030 56.287 0.320 0.000 0.888 109 K CB 1.361 33.995 32.500 0.223 0.000 1.091 109 K HN 0.380 nan 8.250 nan 0.000 0.467 110 V N 4.063 124.228 119.914 0.418 0.000 2.628 110 V HA 0.445 4.564 4.120 -0.002 0.000 0.306 110 V C -1.130 175.229 176.094 0.443 0.000 1.045 110 V CA -1.006 61.549 62.300 0.425 0.000 0.905 110 V CB 1.415 33.484 31.823 0.410 0.000 0.997 110 V HN 0.824 nan 8.190 nan 0.000 0.436 111 W N 5.034 126.448 121.300 0.191 0.000 2.538 111 W HA 0.725 5.384 4.660 -0.002 0.000 0.322 111 W C -0.781 175.814 176.519 0.127 0.000 1.028 111 W CA -1.074 56.358 57.345 0.146 0.000 1.228 111 W CB 1.255 30.780 29.460 0.107 0.000 1.356 111 W HN 0.567 nan 8.180 nan 0.000 0.452 112 N N 4.864 123.587 118.700 0.038 0.000 2.629 112 N HA 0.030 4.769 4.740 -0.002 0.000 0.277 112 N C 0.267 175.783 175.510 0.009 0.000 1.188 112 N CA -0.216 52.732 53.050 -0.170 0.000 0.835 112 N CB 1.686 40.123 38.487 -0.084 0.000 1.420 112 N HN 0.589 nan 8.380 nan 0.000 0.542 113 Q N 3.176 122.886 119.800 -0.150 0.000 2.163 113 Q HA 0.310 4.649 4.340 -0.002 0.000 0.198 113 Q C 1.448 177.496 176.000 0.080 0.000 0.954 113 Q CA 1.896 57.721 55.803 0.038 0.000 0.851 113 Q CB 0.068 28.805 28.738 -0.000 0.000 0.928 113 Q HN 0.629 nan 8.270 nan 0.000 0.459 114 A N -0.147 122.662 122.820 -0.018 0.000 1.898 114 A HA 0.043 4.361 4.320 -0.002 0.000 0.216 114 A C 1.263 178.878 177.584 0.053 0.000 1.181 114 A CA 1.576 53.628 52.037 0.025 0.000 0.620 114 A CB -0.589 18.382 19.000 -0.049 0.000 0.819 114 A HN 0.544 nan 8.150 nan 0.000 0.442 115 T N -5.075 109.357 114.554 -0.202 0.000 2.865 115 T HA 0.598 4.946 4.350 -0.002 0.000 0.294 115 T C -3.429 170.713 174.700 -0.930 0.000 1.119 115 T CA -2.297 59.334 62.100 -0.782 0.000 1.007 115 T CB 1.722 70.057 68.868 -0.888 0.000 1.225 115 T HN -0.100 nan 8.240 nan 0.000 0.515 116 P HA 0.275 nan 4.420 nan 0.000 0.264 116 P C -2.548 174.517 177.300 -0.391 0.000 1.193 116 P CA -0.802 61.661 63.100 -1.062 0.000 0.763 116 P CB -0.584 30.708 31.700 -0.681 0.000 0.810 117 P HA 0.087 nan 4.420 nan 0.000 0.264 117 P C -0.310 177.169 177.300 0.299 0.000 1.193 117 P CA 0.690 63.892 63.100 0.169 0.000 0.763 117 P CB 0.425 32.336 31.700 0.352 0.000 0.810 118 T N 3.131 117.796 114.554 0.186 0.000 2.942 118 T HA 0.690 5.039 4.350 -0.002 0.000 0.327 118 T C -1.164 173.553 174.700 0.029 0.000 1.360 118 T CA -0.667 61.542 62.100 0.182 0.000 1.055 118 T CB 0.395 69.441 68.868 0.297 0.000 1.261 118 T HN 0.282 nan 8.240 nan 0.000 0.485 119 I N 1.186 121.559 120.570 -0.328 0.000 3.042 119 I HA 0.826 4.995 4.170 -0.002 0.000 0.310 119 I C -1.941 173.709 176.117 -0.779 0.000 1.117 119 I CA -1.426 59.530 61.300 -0.573 0.000 1.003 119 I CB 2.510 39.973 38.000 -0.896 0.000 1.228 119 I HN 0.729 nan 8.210 nan 0.000 0.443 120 Y N 3.590 123.162 120.300 -1.212 0.000 2.331 120 Y HA 0.727 5.276 4.550 -0.002 0.000 0.326 120 Y C -1.715 173.707 175.900 -0.796 0.000 1.020 120 Y CA -0.609 56.735 58.100 -1.261 0.000 1.136 120 Y CB 1.710 38.992 38.460 -1.963 0.000 1.157 120 Y HN 0.479 nan 8.280 nan 0.000 0.444 121 V N 6.569 125.957 119.914 -0.877 0.000 2.604 121 V HA 0.550 4.669 4.120 -0.002 0.000 0.305 121 V C -0.882 174.901 176.094 -0.519 0.000 1.043 121 V CA -1.042 60.925 62.300 -0.555 0.000 0.888 121 V CB 1.872 33.436 31.823 -0.432 0.000 0.995 121 V HN 0.678 nan 8.190 nan 0.000 0.429 122 K N 2.389 122.649 120.400 -0.234 0.000 2.535 122 K HA 0.756 5.075 4.320 -0.002 0.000 0.250 122 K C -0.418 176.174 176.600 -0.013 0.000 0.948 122 K CA -0.227 55.969 56.287 -0.150 0.000 0.796 122 K CB 2.226 34.668 32.500 -0.095 0.000 1.216 122 K HN 0.950 nan 8.250 nan 0.000 0.432 123 G N 1.892 110.678 108.800 -0.023 0.000 2.782 123 G HA2 0.156 4.115 3.960 -0.002 0.000 0.304 123 G HA3 0.156 4.115 3.960 -0.002 0.000 0.304 123 G C -0.423 174.473 174.900 -0.006 0.000 1.315 123 G CA -0.530 44.571 45.100 0.003 0.000 0.791 123 G HN 0.564 nan 8.290 nan 0.000 0.519 124 K N -1.372 119.026 120.400 -0.003 0.000 2.057 124 K HA -0.046 4.273 4.320 -0.002 0.000 0.206 124 K C 2.145 178.741 176.600 -0.007 0.000 1.050 124 K CA 2.397 58.681 56.287 -0.005 0.000 0.935 124 K CB -0.097 32.401 32.500 -0.004 0.000 0.715 124 K HN 0.538 nan 8.250 nan 0.000 0.439 125 T N -3.055 111.495 114.554 -0.006 0.000 2.954 125 T HA 0.187 4.536 4.350 -0.002 0.000 0.252 125 T C 0.221 174.923 174.700 0.003 0.000 0.983 125 T CA -0.444 61.652 62.100 -0.006 0.000 0.941 125 T CB 0.486 69.348 68.868 -0.011 0.000 1.141 125 T HN -0.121 nan 8.240 nan 0.000 0.500 126 V N 3.758 123.678 119.914 0.010 0.000 2.368 126 V HA 0.500 4.619 4.120 -0.002 0.000 0.266 126 V C -0.615 175.523 176.094 0.073 0.000 1.045 126 V CA -0.747 61.582 62.300 0.049 0.000 0.899 126 V CB 0.310 32.158 31.823 0.041 0.000 1.006 126 V HN 0.472 nan 8.190 nan 0.000 0.470 127 N N 2.310 121.087 118.700 0.130 0.000 2.264 127 N HA 0.296 5.035 4.740 -0.002 0.000 0.288 127 N C -0.488 175.065 175.510 0.072 0.000 1.094 127 N CA -0.516 52.541 53.050 0.012 0.000 0.817 127 N CB 2.424 40.871 38.487 -0.066 0.000 1.604 127 N HN 0.627 nan 8.380 nan 0.000 0.473 128 S N 0.716 116.192 115.700 -0.373 0.000 2.516 128 S HA 0.395 4.864 4.470 -0.002 0.000 0.282 128 S C -0.250 174.086 174.600 -0.439 0.000 1.286 128 S CA -0.176 57.525 58.200 -0.831 0.000 1.066 128 S CB 0.240 62.811 63.200 -1.048 0.000 0.884 128 S HN 0.658 nan 8.310 nan 0.000 0.491 129 D N 0.456 120.691 120.400 -0.275 0.000 2.792 129 D HA 0.237 4.876 4.640 -0.002 0.000 0.335 129 D C 0.540 176.872 176.300 0.054 0.000 1.353 129 D CA -0.253 53.704 54.000 -0.073 0.000 0.839 129 D CB -0.076 40.732 40.800 0.014 0.000 1.396 129 D HN 0.405 nan 8.370 nan 0.000 0.479 130 S N -1.030 114.694 115.700 0.040 0.000 2.537 130 S HA -0.122 4.346 4.470 -0.002 0.000 0.240 130 S C 1.533 176.213 174.600 0.132 0.000 0.981 130 S CA 1.040 59.288 58.200 0.080 0.000 0.948 130 S CB -0.864 62.367 63.200 0.052 0.000 0.759 130 S HN 0.675 nan 8.310 nan 0.000 0.531 131 S N -0.900 114.899 115.700 0.166 0.000 2.562 131 S HA 0.132 4.601 4.470 -0.002 0.000 0.221 131 S C 0.058 174.744 174.600 0.143 0.000 0.975 131 S CA -0.753 57.516 58.200 0.116 0.000 0.918 131 S CB -0.535 62.702 63.200 0.062 0.000 0.772 131 S HN 0.605 nan 8.310 nan 0.000 0.531 132 W N 2.558 123.859 121.300 0.000 0.000 2.237 132 W HA 0.536 5.195 4.660 -0.002 0.000 0.335 132 W C 0.846 177.391 176.519 0.042 0.000 1.230 132 W CA -1.008 56.352 57.345 0.025 0.000 1.253 132 W CB 0.544 30.046 29.460 0.069 0.000 1.129 132 W HN -0.004 nan 8.180 nan 0.000 0.590 133 R N 1.497 122.127 120.500 0.217 0.000 2.532 133 R HA 0.642 4.981 4.340 -0.002 0.000 0.295 133 R C -0.739 175.693 176.300 0.220 0.000 0.968 133 R CA -0.960 55.228 56.100 0.147 0.000 0.916 133 R CB 1.507 31.758 30.300 -0.081 0.000 1.124 133 R HN 0.360 nan 8.270 nan 0.000 0.463 134 V N -1.655 118.369 119.914 0.184 0.000 2.876 134 V HA 0.813 4.932 4.120 -0.002 0.000 0.312 134 V C -0.564 175.632 176.094 0.169 0.000 1.085 134 V CA -0.565 61.782 62.300 0.078 0.000 0.945 134 V CB 2.118 33.875 31.823 -0.111 0.000 1.017 134 V HN 0.789 nan 8.190 nan 0.000 0.428 135 T N 1.917 116.540 114.554 0.115 0.000 2.889 135 T HA 0.599 4.948 4.350 -0.002 0.000 0.315 135 T C -0.763 173.892 174.700 -0.075 0.000 1.291 135 T CA 0.126 62.201 62.100 -0.041 0.000 1.028 135 T CB 1.733 70.426 68.868 -0.291 0.000 1.235 135 T HN 1.247 nan 8.240 nan 0.000 0.491 136 Y N 1.382 121.589 120.300 -0.154 0.000 2.607 136 Y HA 0.710 5.259 4.550 -0.002 0.000 0.266 136 Y C 0.271 176.045 175.900 -0.211 0.000 1.178 136 Y CA -0.688 57.239 58.100 -0.290 0.000 1.226 136 Y CB 0.224 38.230 38.460 -0.756 0.000 1.144 136 Y HN 0.614 nan 8.280 nan 0.000 0.528 137 E N 1.936 121.952 120.200 -0.306 0.000 2.777 137 E HA 0.012 4.361 4.350 -0.002 0.000 0.375 137 E C -0.284 176.200 176.600 -0.194 0.000 1.093 137 E CA 0.072 56.358 56.400 -0.189 0.000 0.755 137 E CB 0.317 29.892 29.700 -0.210 0.000 1.595 137 E HN 0.482 nan 8.360 nan 0.000 0.380 138 D N 3.117 123.456 120.400 -0.100 0.000 2.224 138 D HA -0.168 4.471 4.640 -0.002 0.000 0.205 138 D C 0.147 176.433 176.300 -0.023 0.000 0.965 138 D CA 0.329 54.287 54.000 -0.070 0.000 0.852 138 D CB 0.073 40.886 40.800 0.021 0.000 0.947 138 D HN 0.454 nan 8.370 nan 0.000 0.494 139 K N 0.609 121.021 120.400 0.019 0.000 3.130 139 K HA -0.224 4.094 4.320 -0.002 0.000 0.282 139 K C -0.160 176.544 176.600 0.172 0.000 1.145 139 K CA 0.759 57.105 56.287 0.098 0.000 0.831 139 K CB -1.737 30.811 32.500 0.080 0.000 1.226 139 K HN 0.473 nan 8.250 nan 0.000 0.478 140 E N 1.391 121.656 120.200 0.109 0.000 2.194 140 E HA 0.161 4.510 4.350 -0.002 0.000 0.284 140 E C -0.120 176.566 176.600 0.145 0.000 1.035 140 E CA -0.705 55.728 56.400 0.056 0.000 0.836 140 E CB 0.536 30.247 29.700 0.018 0.000 1.070 140 E HN 0.278 nan 8.360 nan 0.000 0.401 141 W N 4.995 126.297 121.300 0.004 0.000 2.962 141 W HA 0.532 5.191 4.660 -0.002 0.000 0.341 141 W C -1.447 175.075 176.519 0.005 0.000 1.155 141 W CA -1.190 56.157 57.345 0.003 0.000 1.165 141 W CB 0.416 29.875 29.460 -0.002 0.000 1.435 141 W HN 0.144 nan 8.180 nan 0.000 0.546 142 I N 3.136 123.852 120.570 0.243 0.000 2.377 142 I HA 0.131 4.300 4.170 -0.002 0.000 0.293 142 I C 0.255 176.542 176.117 0.283 0.000 0.987 142 I CA -0.809 60.547 61.300 0.093 0.000 1.185 142 I CB 0.792 38.836 38.000 0.074 0.000 1.341 142 I HN 0.408 nan 8.210 nan 0.000 0.455 143 D N 4.403 124.895 120.400 0.154 0.000 2.398 143 D HA 0.042 4.681 4.640 -0.002 0.000 0.247 143 D C 0.968 177.363 176.300 0.159 0.000 1.227 143 D CA -0.426 53.754 54.000 0.299 0.000 0.980 143 D CB 0.594 41.529 40.800 0.225 0.000 1.106 143 D HN 0.675 nan 8.370 nan 0.000 0.493 144 E N -0.864 119.418 120.200 0.136 0.000 2.463 144 E HA -0.196 4.152 4.350 -0.002 0.000 0.201 144 E C 1.091 177.724 176.600 0.056 0.000 1.045 144 E CA 1.049 57.499 56.400 0.083 0.000 0.872 144 E CB -0.263 29.477 29.700 0.066 0.000 0.797 144 E HN 0.390 nan 8.360 nan 0.000 0.538 145 S N -0.573 115.156 115.700 0.049 0.000 2.503 145 S HA 0.292 4.761 4.470 -0.002 0.000 0.217 145 S C 1.619 176.229 174.600 0.018 0.000 0.999 145 S CA 0.282 58.498 58.200 0.028 0.000 0.914 145 S CB 0.468 63.680 63.200 0.020 0.000 0.782 145 S HN 0.576 nan 8.310 nan 0.000 0.520 146 G N 0.960 109.772 108.800 0.019 0.000 2.168 146 G HA2 -0.193 3.765 3.960 -0.002 0.000 0.197 146 G HA3 -0.193 3.765 3.960 -0.002 0.000 0.197 146 G C -0.151 174.736 174.900 -0.022 0.000 0.997 146 G CA -0.040 45.064 45.100 0.007 0.000 0.658 146 G HN 0.672 nan 8.290 nan 0.000 0.513 147 K N 1.106 121.481 120.400 -0.042 0.000 2.276 147 K HA 0.692 5.011 4.320 -0.002 0.000 0.283 147 K C 0.816 177.315 176.600 -0.169 0.000 1.044 147 K CA 0.155 56.388 56.287 -0.089 0.000 0.944 147 K CB 0.724 33.173 32.500 -0.086 0.000 1.012 147 K HN 0.502 nan 8.250 nan 0.000 0.472 148 A N 2.959 125.674 122.820 -0.175 0.000 2.371 148 A HA 0.216 4.535 4.320 -0.002 0.000 0.257 148 A C 0.067 177.411 177.584 -0.400 0.000 1.089 148 A CA -0.317 51.569 52.037 -0.250 0.000 0.794 148 A CB 0.330 19.238 19.000 -0.154 0.000 1.029 148 A HN 0.895 nan 8.150 nan 0.000 0.488 149 S N 0.824 116.137 115.700 -0.644 0.000 2.600 149 S HA 0.260 4.729 4.470 -0.002 0.000 0.265 149 S C -0.160 174.225 174.600 -0.358 0.000 1.325 149 S CA -0.060 57.672 58.200 -0.779 0.000 1.002 149 S CB 0.637 63.008 63.200 -1.383 0.000 0.921 149 S HN 0.719 nan 8.310 nan 0.000 0.554 150 D N 0.295 120.550 120.400 -0.242 0.000 2.352 150 D HA 0.268 4.906 4.640 -0.002 0.000 0.245 150 D C 0.922 177.187 176.300 -0.058 0.000 1.224 150 D CA -0.223 53.712 54.000 -0.110 0.000 0.879 150 D CB 0.511 41.274 40.800 -0.063 0.000 1.057 150 D HN 0.659 nan 8.370 nan 0.000 0.491 151 T N -0.194 114.338 114.554 -0.038 0.000 3.214 151 T HA 0.050 4.399 4.350 -0.002 0.000 0.264 151 T C 1.544 176.265 174.700 0.036 0.000 1.012 151 T CA 0.098 62.199 62.100 0.002 0.000 0.901 151 T CB -0.257 68.620 68.868 0.015 0.000 1.070 151 T HN 0.228 nan 8.240 nan 0.000 0.561 152 S N 0.725 116.442 115.700 0.029 0.000 2.507 152 S HA 0.133 4.601 4.470 -0.002 0.000 0.235 152 S C 2.076 176.706 174.600 0.049 0.000 0.988 152 S CA 0.385 58.614 58.200 0.048 0.000 0.944 152 S CB -0.483 62.732 63.200 0.026 0.000 0.762 152 S HN 0.681 nan 8.310 nan 0.000 0.526 153 A N 0.972 123.807 122.820 0.025 0.000 2.178 153 A HA 0.297 4.616 4.320 -0.002 0.000 0.211 153 A C 1.140 178.706 177.584 -0.030 0.000 1.157 153 A CA 0.215 52.258 52.037 0.010 0.000 0.780 153 A CB -0.716 18.291 19.000 0.012 0.000 0.828 153 A HN 0.452 nan 8.150 nan 0.000 0.476 154 T N 2.339 116.854 114.554 -0.064 0.000 2.934 154 T HA 0.245 4.594 4.350 -0.002 0.000 0.306 154 T C 0.196 174.691 174.700 -0.343 0.000 1.042 154 T CA 0.457 62.413 62.100 -0.240 0.000 1.145 154 T CB 0.215 68.875 68.868 -0.346 0.000 0.982 154 T HN 0.146 nan 8.240 nan 0.000 0.544 155 I N 3.735 124.074 120.570 -0.385 0.000 2.365 155 I HA 0.353 4.522 4.170 -0.002 0.000 0.291 155 I C -0.109 175.736 176.117 -0.454 0.000 1.004 155 I CA -0.478 60.658 61.300 -0.272 0.000 1.311 155 I CB 0.360 38.270 38.000 -0.149 0.000 1.401 155 I HN 0.618 nan 8.210 nan 0.000 0.491 159 A N 1.045 123.954 122.820 0.148 0.000 2.483 159 A HA 0.563 4.882 4.320 -0.002 0.000 0.238 159 A C 0.871 178.458 177.584 0.005 0.000 1.070 159 A CA 0.725 52.820 52.037 0.097 0.000 0.770 159 A CB 0.305 19.412 19.000 0.178 0.000 1.008 159 A HN 0.475 nan 8.150 nan 0.000 0.497 160 G N -0.887 107.826 108.800 -0.145 0.000 2.477 160 G HA2 0.566 4.525 3.960 -0.002 0.000 0.304 160 G HA3 0.566 4.525 3.960 -0.002 0.000 0.304 160 G C -0.088 174.275 174.900 -0.894 0.000 1.175 160 G CA 0.141 45.077 45.100 -0.273 0.000 0.907 160 G HN 2.072 nan 8.290 nan 0.000 0.509 161 C N -1.832 117.075 119.300 -0.657 0.000 3.259 161 C HA 0.825 5.284 4.460 -0.002 0.000 0.344 161 C C -0.532 174.444 174.990 -0.024 0.000 1.401 161 C CA -1.010 57.525 59.018 -0.806 0.000 1.219 161 C CB 0.789 28.287 27.740 -0.404 0.000 1.521 161 C HN 0.880 nan 8.230 nan 0.000 0.455 162 W N 1.399 122.642 121.300 -0.096 0.000 4.463 162 W HA 0.428 5.087 4.660 -0.002 0.000 0.621 162 W C 0.096 176.494 176.519 -0.201 0.000 3.447 162 W CA 0.856 58.167 57.345 -0.057 0.000 1.132 162 W CB -0.204 29.210 29.460 -0.077 0.000 2.139 162 W HN 0.855 nan 8.180 nan 0.000 0.358 163 N N 0.620 119.039 118.700 -0.468 0.000 2.365 163 N HA 0.118 4.857 4.740 -0.002 0.000 0.257 163 N C -1.039 174.192 175.510 -0.466 0.000 1.287 163 N CA -0.269 52.508 53.050 -0.455 0.000 0.882 163 N CB -1.187 36.999 38.487 -0.501 0.000 1.250 163 N HN -0.076 nan 8.380 nan 0.000 0.507 164 F N 1.389 121.334 119.950 -0.010 0.000 2.652 164 F HA 0.300 4.826 4.527 -0.002 0.000 0.352 164 F C 0.590 176.559 175.800 0.283 0.000 1.259 164 F CA -0.780 57.279 58.000 0.098 0.000 1.249 164 F CB 0.332 39.415 39.000 0.138 0.000 1.628 164 F HN -0.029 nan 8.300 nan 0.000 0.654 165 D N 0.747 121.314 120.400 0.278 0.000 2.339 165 D HA 0.074 4.713 4.640 -0.002 0.000 0.217 165 D C 1.333 177.843 176.300 0.350 0.000 1.050 165 D CA 0.272 54.444 54.000 0.287 0.000 0.856 165 D CB 0.457 41.335 40.800 0.130 0.000 0.922 165 D HN 0.468 nan 8.370 nan 0.000 0.518 166 G N -0.070 108.895 108.800 0.275 0.000 2.371 166 G HA2 0.438 4.397 3.960 -0.002 0.000 0.326 166 G HA3 0.438 4.397 3.960 -0.002 0.000 0.326 166 G C 1.014 175.851 174.900 -0.105 0.000 1.127 166 G CA -0.192 44.980 45.100 0.120 0.000 0.885 166 G HN 0.018 nan 8.290 nan 0.000 0.477 167 A N 1.301 123.877 122.820 -0.406 0.000 2.024 167 A HA -0.069 4.250 4.320 -0.002 0.000 0.220 167 A C 2.355 179.894 177.584 -0.075 0.000 1.164 167 A CA 2.503 54.130 52.037 -0.683 0.000 0.643 167 A CB -0.533 18.268 19.000 -0.332 0.000 0.806 167 A HN 0.993 nan 8.150 nan 0.000 0.451 168 T N -3.116 111.430 114.554 -0.013 0.000 3.060 168 T HA 0.116 4.465 4.350 -0.002 0.000 0.249 168 T C 0.856 175.543 174.700 -0.022 0.000 1.079 168 T CA 0.194 62.302 62.100 0.013 0.000 1.013 168 T CB -0.172 68.691 68.868 -0.010 0.000 0.975 168 T HN 0.512 nan 8.240 nan 0.000 0.518 169 Q N 2.284 122.099 119.800 0.026 0.000 3.223 169 Q HA 0.174 4.513 4.340 -0.002 0.000 0.299 169 Q C -0.248 175.467 176.000 -0.474 0.000 1.385 169 Q CA -0.249 55.525 55.803 -0.048 0.000 0.942 169 Q CB 0.046 28.887 28.738 0.172 0.000 1.748 169 Q HN 0.394 nan 8.270 nan 0.000 0.523 170 R N 1.202 121.343 120.500 -0.599 0.000 2.480 170 R HA -0.041 4.298 4.340 -0.002 0.000 0.303 170 R C -1.811 173.886 176.300 -1.004 0.000 0.985 170 R CA -0.997 54.490 56.100 -1.023 0.000 1.051 170 R CB -0.047 29.885 30.300 -0.614 0.000 0.935 170 R HN 0.270 nan 8.270 nan 0.000 0.410 171 P HA -0.227 nan 4.420 nan 0.000 0.217 171 P C 1.284 178.272 177.300 -0.521 0.000 1.151 171 P CA 1.610 63.882 63.100 -1.381 0.000 0.849 171 P CB 0.165 31.150 31.700 -1.193 0.000 0.787 172 S N -1.467 113.967 115.700 -0.444 0.000 2.515 172 S HA -0.118 4.350 4.470 -0.002 0.000 0.231 172 S C 1.595 176.232 174.600 0.060 0.000 0.987 172 S CA 0.678 58.755 58.200 -0.205 0.000 0.936 172 S CB -0.910 62.033 63.200 -0.429 0.000 0.766 172 S HN 0.276 nan 8.310 nan 0.000 0.528 173 Q N -0.019 119.741 119.800 -0.067 0.000 2.319 173 Q HA 0.324 4.663 4.340 -0.002 0.000 0.202 173 Q C -0.296 175.743 176.000 0.064 0.000 0.896 173 Q CA -0.530 55.267 55.803 -0.011 0.000 0.942 173 Q CB 0.065 28.746 28.738 -0.095 0.000 1.083 173 Q HN 0.631 nan 8.270 nan 0.000 0.510 174 F N 2.634 122.593 119.950 0.016 0.000 2.607 174 F HA 0.007 4.533 4.527 -0.002 0.000 0.374 174 F C 0.233 176.094 175.800 0.101 0.000 1.104 174 F CA 0.137 58.208 58.000 0.118 0.000 1.296 174 F CB 0.515 39.718 39.000 0.339 0.000 1.085 174 F HN -0.081 nan 8.300 nan 0.000 0.584 175 S N 5.732 120.876 115.700 -0.926 0.000 2.570 175 S HA 0.662 5.131 4.470 -0.002 0.000 0.270 175 S C -0.888 173.171 174.600 -0.902 0.000 1.149 175 S CA -1.251 56.505 58.200 -0.740 0.000 0.837 175 S CB 1.148 64.150 63.200 -0.331 0.000 1.124 175 S HN 0.734 nan 8.310 nan 0.000 0.465 179 E N 2.593 122.976 120.200 0.305 0.000 2.291 179 E HA 0.387 4.735 4.350 -0.002 0.000 0.276 179 E C -2.788 173.951 176.600 0.230 0.000 0.896 179 E CA -2.060 54.513 56.400 0.288 0.000 0.774 179 E CB 2.649 32.577 29.700 0.380 0.000 1.227 179 E HN 0.143 nan 8.360 nan 0.000 0.413 180 P HA 0.056 nan 4.420 nan 0.000 0.268 180 P C -1.169 176.212 177.300 0.135 0.000 1.205 180 P CA 0.019 63.198 63.100 0.131 0.000 0.771 180 P CB 0.596 32.352 31.700 0.094 0.000 0.858 181 Q N 1.722 121.613 119.800 0.153 0.000 2.377 181 Q HA 0.353 4.691 4.340 -0.002 0.000 0.279 181 Q C -0.851 175.290 176.000 0.234 0.000 1.049 181 Q CA -0.664 55.238 55.803 0.165 0.000 0.825 181 Q CB 2.505 31.340 28.738 0.161 0.000 1.401 181 Q HN 0.418 nan 8.270 nan 0.000 0.404 182 Q N 1.680 121.602 119.800 0.203 0.000 2.306 182 Q HA 0.580 4.919 4.340 -0.002 0.000 0.265 182 Q C -2.148 173.929 176.000 0.128 0.000 1.022 182 Q CA -1.722 54.182 55.803 0.169 0.000 0.853 182 Q CB 1.978 30.761 28.738 0.075 0.000 1.327 182 Q HN 0.375 nan 8.270 nan 0.000 0.449 183 P HA 0.050 nan 4.420 nan 0.000 0.274 183 P C 0.530 177.723 177.300 -0.179 0.000 1.246 183 P CA -0.156 62.624 63.100 -0.533 0.000 0.795 183 P CB 0.788 31.934 31.700 -0.924 0.000 1.006 184 V N -3.174 116.655 119.914 -0.142 0.000 3.621 184 V HA 0.669 4.787 4.120 -0.002 0.000 0.285 184 V C 0.366 176.433 176.094 -0.044 0.000 1.346 184 V CA 0.261 62.527 62.300 -0.056 0.000 1.104 184 V CB -0.724 31.083 31.823 -0.028 0.000 0.913 184 V HN 0.772 nan 8.190 nan 0.000 0.432 185 A N 0.997 123.780 122.820 -0.062 0.000 2.583 185 A HA 0.679 4.998 4.320 -0.002 0.000 0.298 185 A C -0.984 176.584 177.584 -0.027 0.000 1.055 185 A CA -0.615 51.407 52.037 -0.026 0.000 0.714 185 A CB 1.268 20.265 19.000 -0.005 0.000 1.277 185 A HN 0.547 nan 8.150 nan 0.000 0.406 186 K N 0.561 120.934 120.400 -0.046 0.000 2.501 186 K HA 0.837 5.156 4.320 -0.002 0.000 0.252 186 K C -1.450 175.058 176.600 -0.154 0.000 0.934 186 K CA -0.555 55.630 56.287 -0.169 0.000 0.797 186 K CB 2.312 34.708 32.500 -0.172 0.000 1.270 186 K HN 0.460 nan 8.250 nan 0.000 0.431 187 T N 2.118 116.555 114.554 -0.194 0.000 2.928 187 T HA 0.197 4.546 4.350 -0.002 0.000 0.296 187 T C -0.977 173.648 174.700 -0.126 0.000 1.000 187 T CA -0.744 61.284 62.100 -0.120 0.000 0.989 187 T CB 1.399 70.222 68.868 -0.074 0.000 1.005 187 T HN 0.562 nan 8.240 nan 0.000 0.442 188 E N 2.534 122.680 120.200 -0.090 0.000 2.392 188 E HA 0.176 4.525 4.350 -0.002 0.000 0.264 188 E C -0.010 176.564 176.600 -0.043 0.000 1.024 188 E CA -0.555 55.807 56.400 -0.062 0.000 0.903 188 E CB 0.566 30.240 29.700 -0.043 0.000 0.963 188 E HN 0.326 nan 8.360 nan 0.000 0.432 189 Q N 2.840 122.634 119.800 -0.009 0.000 2.235 189 Q HA 0.164 4.503 4.340 -0.002 0.000 0.256 189 Q C -1.593 174.399 176.000 -0.014 0.000 0.951 189 Q CA -2.148 53.644 55.803 -0.019 0.000 0.890 189 Q CB 1.076 29.814 28.738 0.001 0.000 1.279 189 Q HN 0.378 nan 8.270 nan 0.000 0.444 190 P HA -0.197 nan 4.420 nan 0.000 0.216 190 P C 0.598 177.889 177.300 -0.015 0.000 1.150 190 P CA 1.451 64.534 63.100 -0.027 0.000 0.837 190 P CB 0.337 32.015 31.700 -0.037 0.000 0.786 191 E N 0.550 120.745 120.200 -0.009 0.000 2.416 191 E HA 0.240 4.589 4.350 -0.002 0.000 0.189 191 E C 0.789 177.412 176.600 0.038 0.000 1.091 191 E CA 0.350 56.755 56.400 0.009 0.000 0.889 191 E CB -0.782 28.919 29.700 0.003 0.000 1.015 191 E HN 0.244 nan 8.360 nan 0.000 0.479 192 G N -0.458 108.361 108.800 0.032 0.000 2.629 192 G HA2 0.292 4.250 3.960 -0.002 0.000 0.686 192 G HA3 0.292 4.250 3.960 -0.002 0.000 0.686 192 G C 0.260 175.184 174.900 0.040 0.000 1.232 192 G CA -0.269 44.832 45.100 0.002 0.000 0.803 192 G HN 1.005 nan 8.290 nan 0.000 0.638 193 G N -1.230 107.520 108.800 -0.082 0.000 2.828 193 G HA2 0.295 4.253 3.960 -0.002 0.000 0.463 193 G HA3 0.295 4.253 3.960 -0.002 0.000 0.463 193 G C -0.582 174.315 174.900 -0.005 0.000 1.394 193 G CA 0.309 45.337 45.100 -0.120 0.000 0.862 193 G HN 1.854 nan 8.290 nan 0.000 0.540 194 I N -0.368 120.173 120.570 -0.049 0.000 2.509 194 I HA 0.584 4.752 4.170 -0.002 0.000 0.293 194 I C -0.059 175.961 176.117 -0.162 0.000 1.020 194 I CA -0.783 60.409 61.300 -0.180 0.000 1.088 194 I CB 1.761 39.504 38.000 -0.428 0.000 1.267 194 I HN 0.683 nan 8.210 nan 0.000 0.430 195 L N 7.532 128.659 121.223 -0.160 0.000 2.262 195 L HA 0.507 4.846 4.340 -0.002 0.000 0.288 195 L C -1.427 175.337 176.870 -0.176 0.000 1.035 195 L CA -0.052 54.775 54.840 -0.021 0.000 0.820 195 L CB 0.068 42.121 42.059 -0.010 0.000 1.204 195 L HN 0.351 nan 8.230 nan 0.000 0.424 196 Y N 3.119 123.482 120.300 0.105 0.000 2.320 196 Y HA 0.422 4.970 4.550 -0.002 0.000 0.334 196 Y C 0.125 176.030 175.900 0.008 0.000 1.055 196 Y CA -0.464 57.620 58.100 -0.027 0.000 1.143 196 Y CB 1.111 39.485 38.460 -0.143 0.000 1.193 196 Y HN 0.529 nan 8.280 nan 0.000 0.477 197 D N 2.567 122.983 120.400 0.027 0.000 2.303 197 D HA 0.186 4.825 4.640 -0.002 0.000 0.236 197 D C -0.522 175.649 176.300 -0.216 0.000 1.068 197 D CA -0.439 53.506 54.000 -0.092 0.000 0.830 197 D CB 0.689 41.488 40.800 -0.000 0.000 1.109 197 D HN 0.430 nan 8.370 nan 0.000 0.496 198 F N 1.789 121.709 119.950 -0.050 0.000 2.732 198 F HA 0.244 4.770 4.527 -0.002 0.000 0.303 198 F C 2.087 177.861 175.800 -0.044 0.000 1.110 198 F CA 0.563 58.576 58.000 0.022 0.000 1.355 198 F CB 0.561 39.639 39.000 0.130 0.000 1.081 198 F HN 0.698 nan 8.300 nan 0.000 0.565 199 G N 0.642 109.442 108.800 -0.001 0.000 2.420 199 G HA2 -0.280 3.678 3.960 -0.002 0.000 0.221 199 G HA3 -0.280 3.678 3.960 -0.002 0.000 0.221 199 G C 0.375 175.261 174.900 -0.024 0.000 1.117 199 G CA 0.292 45.382 45.100 -0.017 0.000 0.657 199 G HN 0.458 nan 8.290 nan 0.000 0.512 200 K N 0.010 120.413 120.400 0.006 0.000 2.571 200 K HA 0.670 4.989 4.320 -0.002 0.000 0.289 200 K C -0.794 175.856 176.600 0.085 0.000 1.028 200 K CA -0.707 55.597 56.287 0.028 0.000 0.895 200 K CB 1.377 33.867 32.500 -0.016 0.000 1.534 200 K HN 0.191 nan 8.250 nan 0.000 0.421 201 E N 0.862 121.153 120.200 0.152 0.000 2.465 201 E HA 0.095 4.444 4.350 -0.002 0.000 0.260 201 E C -0.937 175.758 176.600 0.159 0.000 0.980 201 E CA 0.811 57.304 56.400 0.154 0.000 0.927 201 E CB 0.725 30.536 29.700 0.185 0.000 0.934 201 E HN 0.599 nan 8.360 nan 0.000 0.459 202 T N 3.206 117.740 114.554 -0.033 0.000 2.681 202 T HA 0.622 4.971 4.350 -0.002 0.000 0.296 202 T C -2.042 172.515 174.700 -0.238 0.000 1.157 202 T CA -0.650 61.413 62.100 -0.061 0.000 1.025 202 T CB 0.287 69.061 68.868 -0.157 0.000 1.441 202 T HN 0.382 nan 8.240 nan 0.000 0.504 203 F N 0.082 119.858 119.950 -0.289 0.000 2.588 203 F HA 0.688 5.214 4.527 -0.002 0.000 0.314 203 F C -0.083 175.509 175.800 -0.347 0.000 1.134 203 F CA 0.702 58.452 58.000 -0.418 0.000 0.961 203 F CB 1.588 40.425 39.000 -0.271 0.000 1.239 203 F HN 0.966 nan 8.300 nan 0.000 0.448 204 G N 3.225 111.449 108.800 -0.961 0.000 2.392 204 G HA2 0.330 4.289 3.960 -0.002 0.000 0.260 204 G HA3 0.330 4.289 3.960 -0.002 0.000 0.260 204 G C -2.202 172.252 174.900 -0.744 0.000 1.226 204 G CA -0.811 43.890 45.100 -0.664 0.000 0.913 204 G HN 0.478 nan 8.290 nan 0.000 0.483 205 F N 0.536 120.411 119.950 -0.125 0.000 2.495 205 F HA 0.631 5.156 4.527 -0.002 0.000 0.327 205 F C 0.411 176.191 175.800 -0.034 0.000 1.103 205 F CA -1.052 56.889 58.000 -0.097 0.000 0.949 205 F CB 1.893 40.814 39.000 -0.132 0.000 1.142 205 F HN 0.092 nan 8.300 nan 0.000 0.457 206 I N 2.233 122.881 120.570 0.130 0.000 2.529 206 I HA 0.172 4.341 4.170 -0.002 0.000 0.284 206 I C 0.203 176.328 176.117 0.013 0.000 1.082 206 I CA 0.136 61.471 61.300 0.059 0.000 1.406 206 I CB 1.086 39.093 38.000 0.012 0.000 1.405 206 I HN 0.579 nan 8.210 nan 0.000 0.548 207 T N 7.784 122.348 114.554 0.017 0.000 2.792 207 T HA 0.570 4.919 4.350 -0.002 0.000 0.280 207 T C -0.030 174.670 174.700 -0.000 0.000 0.990 207 T CA -0.493 61.600 62.100 -0.012 0.000 0.960 207 T CB 1.232 70.105 68.868 0.007 0.000 0.939 207 T HN 0.255 nan 8.240 nan 0.000 0.439 208 L N 3.801 125.037 121.223 0.021 0.000 2.295 208 L HA 0.484 4.823 4.340 -0.002 0.000 0.281 208 L C 0.277 177.171 176.870 0.040 0.000 1.018 208 L CA -0.774 54.086 54.840 0.033 0.000 0.841 208 L CB 1.013 43.116 42.059 0.073 0.000 1.218 208 L HN 0.357 nan 8.230 nan 0.000 0.424 209 K N 3.414 123.826 120.400 0.021 0.000 2.172 209 K HA 0.299 4.617 4.320 -0.002 0.000 0.276 209 K C -0.314 176.295 176.600 0.016 0.000 1.013 209 K CA -0.734 55.566 56.287 0.022 0.000 0.913 209 K CB 0.804 33.316 32.500 0.021 0.000 1.055 209 K HN 0.485 nan 8.250 nan 0.000 0.461 210 N N 1.991 120.701 118.700 0.016 0.000 2.610 210 N HA -0.191 4.548 4.740 -0.002 0.000 0.271 210 N C -1.164 174.338 175.510 -0.013 0.000 1.146 210 N CA 0.601 53.655 53.050 0.007 0.000 0.711 210 N CB -1.036 37.457 38.487 0.010 0.000 0.883 210 N HN 0.487 nan 8.380 nan 0.000 0.548 211 L N 0.677 121.885 121.223 -0.024 0.000 2.334 211 L HA 0.534 4.873 4.340 -0.002 0.000 0.277 211 L C 0.820 177.647 176.870 -0.072 0.000 1.075 211 L CA -0.284 54.523 54.840 -0.056 0.000 0.804 211 L CB 1.465 43.486 42.059 -0.064 0.000 1.174 211 L HN 0.473 nan 8.230 nan 0.000 0.438 212 S N 0.942 116.588 115.700 -0.089 0.000 2.541 212 S HA 0.934 5.403 4.470 -0.002 0.000 0.271 212 S C -0.274 174.266 174.600 -0.100 0.000 1.133 212 S CA -0.169 57.977 58.200 -0.090 0.000 0.876 212 S CB 2.062 65.224 63.200 -0.064 0.000 1.105 212 S HN 1.230 nan 8.310 nan 0.000 0.470 213 G N 1.525 110.269 108.800 -0.095 0.000 2.512 213 G HA2 0.174 4.133 3.960 -0.002 0.000 0.210 213 G HA3 0.174 4.133 3.960 -0.002 0.000 0.210 213 G C -1.122 173.725 174.900 -0.088 0.000 1.295 213 G CA -0.153 44.897 45.100 -0.083 0.000 0.934 213 G HN 1.583 nan 8.290 nan 0.000 0.554 214 K N -0.862 119.494 120.400 -0.073 0.000 2.555 214 K HA 0.785 5.104 4.320 -0.002 0.000 0.279 214 K C 0.023 176.593 176.600 -0.050 0.000 0.986 214 K CA -0.101 56.146 56.287 -0.067 0.000 0.880 214 K CB 1.798 34.265 32.500 -0.056 0.000 1.474 214 K HN 2.801 nan 8.250 nan 0.000 0.433 215 G N 0.928 109.700 108.800 -0.046 0.000 2.381 215 G HA2 -0.020 3.939 3.960 -0.002 0.000 0.672 215 G HA3 -0.020 3.939 3.960 -0.002 0.000 0.672 215 G C -1.617 173.268 174.900 -0.024 0.000 1.324 215 G CA -1.079 44.006 45.100 -0.025 0.000 0.975 215 G HN 0.569 nan 8.290 nan 0.000 0.593 216 K N -0.677 119.719 120.400 -0.007 0.000 2.258 216 K HA 0.592 4.911 4.320 -0.002 0.000 0.264 216 K C -0.050 176.559 176.600 0.016 0.000 1.007 216 K CA 0.132 56.415 56.287 -0.007 0.000 0.941 216 K CB 0.809 33.307 32.500 -0.003 0.000 0.966 216 K HN 0.407 nan 8.250 nan 0.000 0.480 217 I N 1.985 122.552 120.570 -0.004 0.000 2.512 217 I HA 0.163 4.332 4.170 -0.002 0.000 0.287 217 I C -1.139 174.944 176.117 -0.058 0.000 1.069 217 I CA -0.776 60.529 61.300 0.008 0.000 1.056 217 I CB 2.086 40.087 38.000 0.002 0.000 1.229 217 I HN 0.461 nan 8.210 nan 0.000 0.429 218 D N 7.149 127.488 120.400 -0.102 0.000 2.375 218 D HA 0.495 5.134 4.640 -0.002 0.000 0.247 218 D C -0.732 175.316 176.300 -0.418 0.000 1.061 218 D CA -0.356 53.483 54.000 -0.267 0.000 0.834 218 D CB 2.884 43.542 40.800 -0.236 0.000 1.247 218 D HN 0.126 nan 8.370 nan 0.000 0.489 219 L N 2.216 123.103 121.223 -0.560 0.000 2.329 219 L HA 0.427 4.765 4.340 -0.002 0.000 0.279 219 L C -0.919 175.434 176.870 -0.862 0.000 1.014 219 L CA -0.680 53.797 54.840 -0.605 0.000 0.814 219 L CB 0.855 42.601 42.059 -0.521 0.000 1.257 219 L HN 0.361 nan 8.230 nan 0.000 0.424 220 Y N 2.114 122.195 120.300 -0.363 0.000 2.329 220 Y HA 0.445 4.993 4.550 -0.002 0.000 0.328 220 Y C -0.400 175.367 175.900 -0.222 0.000 0.992 220 Y CA -0.691 57.316 58.100 -0.155 0.000 1.151 220 Y CB 1.415 39.910 38.460 0.058 0.000 1.150 220 Y HN 0.336 nan 8.280 nan 0.000 0.450 221 Y N 1.109 121.499 120.300 0.150 0.000 2.403 221 Y HA 0.815 5.364 4.550 -0.002 0.000 0.323 221 Y C 0.794 176.795 175.900 0.167 0.000 1.226 221 Y CA -0.937 57.237 58.100 0.125 0.000 1.235 221 Y CB 1.930 40.448 38.460 0.096 0.000 1.248 221 Y HN 0.685 nan 8.280 nan 0.000 0.489 222 G N 0.375 109.407 108.800 0.387 0.000 2.703 222 G HA2 0.352 4.311 3.960 -0.002 0.000 0.294 222 G HA3 0.352 4.311 3.960 -0.002 0.000 0.294 222 G C -0.806 174.305 174.900 0.352 0.000 1.451 222 G CA -0.748 44.510 45.100 0.263 0.000 0.869 222 G HN 0.654 nan 8.290 nan 0.000 0.516 223 E N -0.561 119.787 120.200 0.246 0.000 2.474 223 E HA 0.167 4.516 4.350 -0.002 0.000 0.195 223 E C 0.777 177.551 176.600 0.289 0.000 1.039 223 E CA 0.443 56.998 56.400 0.258 0.000 0.881 223 E CB 0.583 30.374 29.700 0.152 0.000 0.970 223 E HN 0.489 nan 8.360 nan 0.000 0.486 224 S N -0.591 115.231 115.700 0.204 0.000 2.564 224 S HA 0.297 4.766 4.470 -0.002 0.000 0.274 224 S C -2.321 172.116 174.600 -0.271 0.000 1.124 224 S CA -1.402 56.825 58.200 0.044 0.000 0.869 224 S CB 2.262 65.445 63.200 -0.029 0.000 1.105 224 S HN -0.264 nan 8.310 nan 0.000 0.472 225 P HA -0.076 nan 4.420 nan 0.000 0.218 225 P C 0.797 177.840 177.300 -0.429 0.000 1.149 225 P CA 1.256 63.867 63.100 -0.816 0.000 0.817 225 P CB 0.086 31.274 31.700 -0.853 0.000 0.785 226 E N 0.389 120.392 120.200 -0.327 0.000 2.077 226 E HA -0.192 4.157 4.350 -0.002 0.000 0.193 226 E C 2.221 178.483 176.600 -0.562 0.000 0.989 226 E CA 1.225 57.461 56.400 -0.274 0.000 0.800 226 E CB -0.593 29.070 29.700 -0.062 0.000 0.746 226 E HN 0.459 nan 8.360 nan 0.000 0.452 227 E N 0.307 120.031 120.200 -0.793 0.000 2.047 227 E HA -0.159 4.189 4.350 -0.002 0.000 0.191 227 E C 2.031 178.364 176.600 -0.446 0.000 0.987 227 E CA 0.967 56.678 56.400 -1.148 0.000 0.799 227 E CB -0.128 29.154 29.700 -0.698 0.000 0.752 227 E HN 0.234 nan 8.360 nan 0.000 0.449 228 A N 1.280 123.972 122.820 -0.213 0.000 1.940 228 A HA -0.170 4.149 4.320 -0.002 0.000 0.219 228 A C 2.068 179.597 177.584 -0.091 0.000 1.176 228 A CA 1.448 53.475 52.037 -0.017 0.000 0.631 228 A CB -0.334 18.718 19.000 0.086 0.000 0.814 228 A HN 0.065 nan 8.150 nan 0.000 0.446 229 K N 0.227 120.445 120.400 -0.302 0.000 2.296 229 K HA -0.029 4.290 4.320 -0.002 0.000 0.200 229 K C 0.067 176.472 176.600 -0.325 0.000 1.048 229 K CA 0.315 56.304 56.287 -0.498 0.000 0.966 229 K CB -0.231 31.973 32.500 -0.493 0.000 0.754 229 K HN 0.405 nan 8.250 nan 0.000 0.466 230 D N 1.818 122.095 120.400 -0.205 0.000 2.470 230 D HA 0.035 4.674 4.640 -0.002 0.000 0.226 230 D C 0.472 176.735 176.300 -0.062 0.000 1.196 230 D CA 0.083 54.054 54.000 -0.048 0.000 0.979 230 D CB 0.409 41.310 40.800 0.169 0.000 1.059 230 D HN -0.006 nan 8.370 nan 0.000 0.515 231 K N 1.393 121.653 120.400 -0.234 0.000 2.211 231 K HA -0.135 4.184 4.320 -0.002 0.000 0.204 231 K C 1.638 178.166 176.600 -0.119 0.000 1.047 231 K CA 1.099 57.123 56.287 -0.439 0.000 0.935 231 K CB 0.232 32.329 32.500 -0.672 0.000 0.728 231 K HN 0.284 nan 8.250 nan 0.000 0.452 232 A N -0.239 122.513 122.820 -0.115 0.000 2.081 232 A HA -0.004 4.315 4.320 -0.002 0.000 0.214 232 A C 1.021 178.324 177.584 -0.468 0.000 1.158 232 A CA 0.691 52.555 52.037 -0.288 0.000 0.724 232 A CB -0.016 18.737 19.000 -0.412 0.000 0.826 232 A HN 0.274 nan 8.150 nan 0.000 0.463 233 Y N -0.856 119.532 120.300 0.148 0.000 2.527 233 Y HA 0.154 4.702 4.550 -0.002 0.000 0.247 233 Y C 1.282 177.371 175.900 0.315 0.000 1.138 233 Y CA -1.116 57.105 58.100 0.202 0.000 1.228 233 Y CB -0.574 37.990 38.460 0.173 0.000 1.252 233 Y HN 0.412 nan 8.280 nan 0.000 0.531 234 C N 0.905 120.421 119.300 0.361 0.000 2.657 234 C HA 0.091 4.550 4.460 -0.002 0.000 0.420 234 C C 1.794 176.951 174.990 0.278 0.000 1.323 234 C CA -0.573 58.620 59.018 0.291 0.000 1.894 234 C CB 0.899 28.759 27.740 0.201 0.000 2.681 234 C HN 0.463 nan 8.230 nan 0.000 0.613 235 E N 1.564 121.920 120.200 0.260 0.000 2.077 235 E HA -0.073 4.276 4.350 -0.002 0.000 0.193 235 E C 1.232 177.938 176.600 0.175 0.000 0.989 235 E CA 1.926 58.447 56.400 0.202 0.000 0.800 235 E CB -0.250 29.552 29.700 0.171 0.000 0.746 235 E HN 0.997 nan 8.360 nan 0.000 0.452 236 T N -1.039 113.637 114.554 0.203 0.000 2.906 236 T HA 0.623 4.972 4.350 -0.002 0.000 0.295 236 T C -0.252 174.646 174.700 0.330 0.000 1.075 236 T CA -1.024 61.192 62.100 0.194 0.000 1.005 236 T CB 2.019 70.936 68.868 0.082 0.000 1.136 236 T HN 0.028 nan 8.240 nan 0.000 0.498 237 L N -1.975 119.418 121.223 0.283 0.000 3.041 237 L HA 0.934 5.273 4.340 -0.002 0.000 0.278 237 L C -2.005 174.960 176.870 0.158 0.000 1.051 237 L CA -0.845 54.133 54.840 0.229 0.000 0.957 237 L CB 0.942 43.014 42.059 0.022 0.000 1.538 237 L HN 0.683 nan 8.230 nan 0.000 0.393 238 D N -0.330 120.065 120.400 -0.009 0.000 2.602 238 D HA 0.566 5.205 4.640 -0.002 0.000 0.236 238 D C -1.468 174.760 176.300 -0.120 0.000 1.209 238 D CA -0.470 53.528 54.000 -0.002 0.000 0.831 238 D CB 2.843 43.699 40.800 0.093 0.000 1.478 238 D HN 0.598 nan 8.370 nan 0.000 0.438 239 K N 1.462 121.827 120.400 -0.059 0.000 2.578 239 K HA 0.526 4.844 4.320 -0.002 0.000 0.250 239 K C -0.839 175.743 176.600 -0.030 0.000 0.955 239 K CA -0.494 55.750 56.287 -0.071 0.000 0.825 239 K CB 2.077 34.542 32.500 -0.058 0.000 1.151 239 K HN 0.225 nan 8.250 nan 0.000 0.432 240 L N 2.620 123.823 121.223 -0.034 0.000 2.319 240 L HA 0.605 4.944 4.340 -0.002 0.000 0.267 240 L C -0.932 175.907 176.870 -0.052 0.000 1.011 240 L CA -1.425 53.396 54.840 -0.032 0.000 0.818 240 L CB 1.336 43.385 42.059 -0.015 0.000 1.316 240 L HN 0.369 nan 8.230 nan 0.000 0.432 241 L N 2.795 123.974 121.223 -0.074 0.000 2.345 241 L HA 0.479 4.818 4.340 -0.002 0.000 0.274 241 L C -0.921 175.885 176.870 -0.107 0.000 0.999 241 L CA -0.391 54.405 54.840 -0.073 0.000 0.849 241 L CB 1.407 43.430 42.059 -0.059 0.000 1.220 241 L HN 0.433 nan 8.230 nan 0.000 0.422 242 L N 4.682 125.843 121.223 -0.104 0.000 2.331 242 L HA 0.514 4.853 4.340 -0.002 0.000 0.278 242 L C -0.357 176.450 176.870 -0.106 0.000 1.106 242 L CA 0.728 55.492 54.840 -0.126 0.000 0.824 242 L CB 0.602 42.590 42.059 -0.120 0.000 1.142 242 L HN 0.739 nan 8.230 nan 0.000 0.443 243 E N 4.832 124.963 120.200 -0.116 0.000 2.416 243 E HA 0.458 4.806 4.350 -0.002 0.000 0.273 243 E C -2.580 173.952 176.600 -0.114 0.000 0.935 243 E CA -2.206 54.137 56.400 -0.095 0.000 0.784 243 E CB 1.652 31.305 29.700 -0.078 0.000 1.301 243 E HN 0.417 nan 8.360 nan 0.000 0.454 244 P HA 0.038 nan 4.420 nan 0.000 0.265 244 P C 0.395 177.606 177.300 -0.147 0.000 1.222 244 P CA 1.090 64.097 63.100 -0.154 0.000 0.767 244 P CB 0.320 31.964 31.700 -0.094 0.000 0.801 245 G N 2.566 111.215 108.800 -0.252 0.000 2.205 245 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.261 245 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.261 245 G C -0.119 174.757 174.900 -0.040 0.000 0.980 245 G CA 0.426 45.480 45.100 -0.077 0.000 0.632 245 G HN 0.705 nan 8.290 nan 0.000 0.533 246 Q N -1.345 118.398 119.800 -0.095 0.000 2.633 246 Q HA 0.792 5.131 4.340 -0.002 0.000 0.289 246 Q C -1.254 174.639 176.000 -0.178 0.000 0.940 246 Q CA -1.127 54.607 55.803 -0.116 0.000 0.785 246 Q CB 1.855 30.547 28.738 -0.077 0.000 1.467 246 Q HN 0.721 nan 8.270 nan 0.000 0.401 247 I N 0.418 120.829 120.570 -0.264 0.000 2.865 247 I HA 0.663 4.831 4.170 -0.002 0.000 0.302 247 I C -1.476 174.449 176.117 -0.320 0.000 1.140 247 I CA -0.607 60.482 61.300 -0.352 0.000 1.021 247 I CB 2.807 40.440 38.000 -0.612 0.000 1.233 247 I HN 0.840 nan 8.210 nan 0.000 0.427 248 T N 3.951 118.367 114.554 -0.229 0.000 2.881 248 T HA 0.225 4.573 4.350 -0.002 0.000 0.290 248 T C -1.177 173.482 174.700 -0.069 0.000 1.000 248 T CA -0.373 61.650 62.100 -0.128 0.000 0.978 248 T CB 1.285 70.106 68.868 -0.079 0.000 0.997 248 T HN 0.500 nan 8.240 nan 0.000 0.443 249 D N 3.139 123.541 120.400 0.003 0.000 2.336 249 D HA 0.165 4.804 4.640 -0.002 0.000 0.249 249 D C 1.119 177.430 176.300 0.019 0.000 1.213 249 D CA -0.288 53.743 54.000 0.051 0.000 0.870 249 D CB 0.797 41.661 40.800 0.107 0.000 1.076 249 D HN 0.448 nan 8.370 nan 0.000 0.483 250 L N 3.426 124.652 121.223 0.006 0.000 2.141 250 L HA -0.116 4.223 4.340 -0.002 0.000 0.209 250 L C 2.496 179.371 176.870 0.008 0.000 1.094 250 L CA 0.926 55.765 54.840 -0.001 0.000 0.763 250 L CB -0.305 41.748 42.059 -0.009 0.000 0.908 250 L HN 0.427 nan 8.230 nan 0.000 0.437 251 A N 1.093 123.924 122.820 0.018 0.000 1.902 251 A HA -0.152 4.167 4.320 -0.002 0.000 0.217 251 A C 2.060 179.659 177.584 0.024 0.000 1.181 251 A CA 1.881 53.933 52.037 0.026 0.000 0.623 251 A CB -0.538 18.485 19.000 0.039 0.000 0.818 251 A HN 0.585 nan 8.150 nan 0.000 0.443 252 I N -6.331 114.252 120.570 0.022 0.000 4.018 252 I HA 0.333 4.502 4.170 -0.002 0.000 0.337 252 I C 0.354 176.471 176.117 0.000 0.000 1.327 252 I CA -0.302 61.003 61.300 0.009 0.000 1.100 252 I CB 0.133 38.140 38.000 0.012 0.000 1.025 252 I HN 0.116 nan 8.210 nan 0.000 0.396 253 R N 1.649 122.151 120.500 0.003 0.000 3.205 253 R HA -0.149 4.190 4.340 -0.002 0.000 0.249 253 R C -0.187 176.110 176.300 -0.004 0.000 0.937 253 R CA 0.708 56.806 56.100 -0.004 0.000 0.641 253 R CB -1.868 28.426 30.300 -0.010 0.000 1.114 253 R HN 0.546 nan 8.270 nan 0.000 0.451 254 S N 0.341 116.044 115.700 0.006 0.000 2.640 254 S HA 0.359 4.828 4.470 -0.002 0.000 0.320 254 S C -0.141 174.462 174.600 0.006 0.000 1.097 254 S CA -0.457 57.749 58.200 0.011 0.000 1.092 254 S CB 1.424 64.641 63.200 0.028 0.000 0.988 254 S HN 0.231 nan 8.310 nan 0.000 0.470 255 T N 4.318 118.865 114.554 -0.013 0.000 2.771 255 T HA 0.467 4.816 4.350 -0.002 0.000 0.291 255 T C -0.250 174.433 174.700 -0.028 0.000 0.954 255 T CA -0.336 61.741 62.100 -0.039 0.000 1.045 255 T CB 1.162 70.005 68.868 -0.043 0.000 0.917 255 T HN 0.507 nan 8.240 nan 0.000 0.484 256 S N 4.688 120.355 115.700 -0.055 0.000 2.537 256 S HA 0.619 5.088 4.470 -0.002 0.000 0.301 256 S C -2.389 172.174 174.600 -0.062 0.000 1.092 256 S CA -1.327 56.863 58.200 -0.017 0.000 1.048 256 S CB 1.519 64.779 63.200 0.101 0.000 1.053 256 S HN 0.547 nan 8.310 nan 0.000 0.501 257 P HA 0.411 nan 4.420 nan 0.000 0.278 257 P C -1.308 175.960 177.300 -0.053 0.000 1.238 257 P CA -0.420 62.663 63.100 -0.028 0.000 0.794 257 P CB 0.727 32.429 31.700 0.004 0.000 0.955 258 L N 2.332 123.539 121.223 -0.028 0.000 2.381 258 L HA 0.417 4.755 4.340 -0.002 0.000 0.268 258 L C 0.579 177.520 176.870 0.119 0.000 0.997 258 L CA -0.889 53.931 54.840 -0.033 0.000 0.818 258 L CB 1.820 43.836 42.059 -0.071 0.000 1.310 258 L HN 0.472 nan 8.230 nan 0.000 0.416 259 H N 1.228 120.337 119.070 0.064 0.000 2.610 259 H HA 0.090 4.645 4.556 -0.002 0.000 0.336 259 H C 0.098 175.510 175.328 0.139 0.000 1.087 259 H CA -0.612 55.507 56.048 0.118 0.000 1.405 259 H CB 1.582 31.386 29.762 0.069 0.000 1.460 259 H HN 0.545 nan 8.280 nan 0.000 0.538 260 H N 1.037 120.169 119.070 0.103 0.000 2.421 260 H HA -0.109 4.446 4.556 -0.002 0.000 0.298 260 H C 1.372 176.722 175.328 0.037 0.000 1.087 260 H CA 1.132 57.206 56.048 0.043 0.000 1.330 260 H CB 0.246 30.017 29.762 0.014 0.000 1.388 260 H HN 0.397 nan 8.280 nan 0.000 0.526 261 S N 0.012 115.813 115.700 0.168 0.000 2.215 261 S HA -0.027 4.441 4.470 -0.002 0.000 0.153 261 S C 0.275 174.928 174.600 0.089 0.000 1.352 261 S CA 0.125 58.382 58.200 0.095 0.000 2.310 261 S CB -0.094 63.139 63.200 0.055 0.000 0.348 261 S HN 0.327 nan 8.310 nan 0.000 0.354 262 D N 2.876 123.331 120.400 0.092 0.000 2.411 262 D HA 0.249 4.888 4.640 -0.002 0.000 0.225 262 D C -0.310 176.054 176.300 0.106 0.000 1.156 262 D CA -0.030 54.018 54.000 0.080 0.000 0.874 262 D CB -0.093 40.746 40.800 0.065 0.000 1.034 262 D HN 0.499 nan 8.370 nan 0.000 0.502 263 N N 0.920 119.664 118.700 0.074 0.000 2.502 263 N HA 0.526 5.264 4.740 -0.002 0.000 0.280 263 N C -0.551 174.975 175.510 0.028 0.000 1.223 263 N CA -0.800 52.279 53.050 0.047 0.000 0.966 263 N CB 2.390 40.894 38.487 0.029 0.000 1.203 263 N HN 0.236 nan 8.380 nan 0.000 0.565 264 E N -0.357 119.854 120.200 0.018 0.000 2.388 264 E HA 0.150 4.498 4.350 -0.002 0.000 0.289 264 E C -2.291 174.359 176.600 0.085 0.000 0.944 264 E CA -0.634 55.788 56.400 0.037 0.000 0.792 264 E CB 1.585 31.292 29.700 0.012 0.000 1.239 264 E HN 0.658 nan 8.360 nan 0.000 0.412 265 Y N 2.737 123.007 120.300 -0.049 0.000 2.338 265 Y HA 0.454 5.003 4.550 -0.002 0.000 0.333 265 Y C -1.330 174.550 175.900 -0.034 0.000 0.968 265 Y CA -0.386 57.684 58.100 -0.051 0.000 1.123 265 Y CB 2.126 40.557 38.460 -0.050 0.000 1.165 265 Y HN 0.406 nan 8.280 nan 0.000 0.452 266 T N 7.636 121.858 114.554 -0.554 0.000 2.771 266 T HA 0.364 4.713 4.350 -0.002 0.000 0.281 266 T C -0.529 173.704 174.700 -0.777 0.000 0.982 266 T CA -0.545 61.266 62.100 -0.483 0.000 0.978 266 T CB 0.549 69.243 68.868 -0.289 0.000 0.930 266 T HN 0.456 nan 8.240 nan 0.000 0.447 267 L N 3.417 124.333 121.223 -0.511 0.000 2.543 267 L HA 0.049 4.388 4.340 -0.002 0.000 0.285 267 L C 1.819 178.616 176.870 -0.122 0.000 1.236 267 L CA 0.757 55.408 54.840 -0.315 0.000 0.871 267 L CB 0.149 42.195 42.059 -0.022 0.000 1.121 267 L HN 0.732 nan 8.230 nan 0.000 0.501 268 E N 1.106 121.270 120.200 -0.060 0.000 2.208 268 E HA -0.051 4.298 4.350 -0.002 0.000 0.193 268 E C -0.131 176.581 176.600 0.185 0.000 0.988 268 E CA 0.616 57.016 56.400 -0.000 0.000 0.828 268 E CB 0.077 29.786 29.700 0.015 0.000 0.763 268 E HN 0.546 nan 8.360 nan 0.000 0.478 269 N N 1.104 119.925 118.700 0.201 0.000 2.361 269 N HA 0.121 4.860 4.740 -0.002 0.000 0.302 269 N C -0.585 174.859 175.510 -0.110 0.000 1.074 269 N CA -0.211 52.924 53.050 0.142 0.000 0.850 269 N CB 1.919 40.428 38.487 0.036 0.000 1.228 269 N HN -0.035 nan 8.380 nan 0.000 0.491 270 S N 1.179 116.573 115.700 -0.510 0.000 2.592 270 S HA 0.483 4.952 4.470 -0.002 0.000 0.271 270 S C -0.184 173.891 174.600 -0.876 0.000 1.326 270 S CA -0.368 57.101 58.200 -1.220 0.000 1.024 270 S CB 1.354 63.684 63.200 -1.449 0.000 0.921 270 S HN 0.317 nan 8.310 nan 0.000 0.527 271 K N 0.249 120.003 120.400 -1.077 0.000 2.527 271 K HA 0.644 4.963 4.320 -0.002 0.000 0.260 271 K C -0.915 175.258 176.600 -0.711 0.000 0.937 271 K CA -0.551 55.285 56.287 -0.753 0.000 0.826 271 K CB 2.311 34.261 32.500 -0.917 0.000 1.359 271 K HN 0.830 nan 8.250 nan 0.000 0.434 272 A N 2.297 124.960 122.820 -0.263 0.000 2.310 272 A HA 0.888 5.207 4.320 -0.002 0.000 0.299 272 A C -0.707 176.912 177.584 0.058 0.000 1.147 272 A CA -0.220 51.777 52.037 -0.067 0.000 0.818 272 A CB -0.161 18.950 19.000 0.186 0.000 1.096 272 A HN 0.653 nan 8.150 nan 0.000 0.495 273 F N -0.996 118.988 119.950 0.057 0.000 2.919 273 F HA 0.548 5.074 4.527 -0.002 0.000 0.330 273 F C -0.184 175.693 175.800 0.128 0.000 1.136 273 F CA -0.700 57.382 58.000 0.137 0.000 0.901 273 F CB 0.907 40.048 39.000 0.235 0.000 1.321 273 F HN 0.604 nan 8.300 nan 0.000 0.449 274 R N -0.301 120.474 120.500 0.460 0.000 2.320 274 R HA 0.404 4.743 4.340 -0.002 0.000 0.193 274 R C -0.994 175.465 176.300 0.265 0.000 0.885 274 R CA 0.222 56.467 56.100 0.241 0.000 1.085 274 R CB 0.388 30.695 30.300 0.012 0.000 1.253 274 R HN 0.665 nan 8.270 nan 0.000 0.636 275 Y N 0.347 120.933 120.300 0.478 0.000 2.409 275 Y HA 0.531 5.080 4.550 -0.002 0.000 0.339 275 Y C -0.702 175.373 175.900 0.292 0.000 1.033 275 Y CA -0.933 57.383 58.100 0.360 0.000 1.094 275 Y CB 2.463 41.039 38.460 0.193 0.000 1.210 275 Y HN -0.287 nan 8.280 nan 0.000 0.456 276 V N 3.303 123.451 119.914 0.391 0.000 2.569 276 V HA 0.188 4.307 4.120 -0.002 0.000 0.301 276 V C -1.505 174.758 176.094 0.281 0.000 1.044 276 V CA -1.077 61.304 62.300 0.134 0.000 0.874 276 V CB 1.422 33.184 31.823 -0.102 0.000 1.002 276 V HN 0.585 nan 8.190 nan 0.000 0.424 277 Y N 6.281 126.618 120.300 0.061 0.000 2.353 277 Y HA 0.741 5.290 4.550 -0.002 0.000 0.340 277 Y C -0.502 175.471 175.900 0.120 0.000 0.972 277 Y CA -1.358 56.795 58.100 0.088 0.000 1.157 277 Y CB 1.027 39.522 38.460 0.059 0.000 1.157 277 Y HN 0.563 nan 8.280 nan 0.000 0.495 278 I N 6.482 127.001 120.570 -0.087 0.000 2.509 278 I HA 0.477 4.646 4.170 -0.002 0.000 0.293 278 I C -0.225 175.716 176.117 -0.293 0.000 1.020 278 I CA -0.661 60.551 61.300 -0.147 0.000 1.088 278 I CB 2.267 40.331 38.000 0.107 0.000 1.267 278 I HN 0.685 nan 8.210 nan 0.000 0.430 279 T N 1.096 115.485 114.554 -0.275 0.000 2.864 279 T HA 0.857 5.206 4.350 -0.002 0.000 0.289 279 T C -0.924 173.701 174.700 -0.125 0.000 1.082 279 T CA -0.764 61.162 62.100 -0.290 0.000 1.009 279 T CB 2.149 70.850 68.868 -0.279 0.000 1.234 279 T HN 0.832 nan 8.240 nan 0.000 0.526 280 H N -2.535 116.500 119.070 -0.059 0.000 3.024 280 H HA 0.598 5.153 4.556 -0.002 0.000 0.324 280 H C -1.176 174.135 175.328 -0.029 0.000 1.347 280 H CA -0.993 55.030 56.048 -0.042 0.000 1.182 280 H CB 0.238 29.979 29.762 -0.036 0.000 1.889 280 H HN 0.706 nan 8.280 nan 0.000 0.528 281 E N 1.217 121.527 120.200 0.184 0.000 2.409 281 E HA 0.084 4.433 4.350 -0.002 0.000 0.257 281 E C -1.534 175.180 176.600 0.190 0.000 1.150 281 E CA -1.583 54.888 56.400 0.118 0.000 0.942 281 E CB 0.369 30.104 29.700 0.058 0.000 0.979 281 E HN 0.511 nan 8.360 nan 0.000 0.447 282 P HA -0.218 nan 4.420 nan 0.000 0.216 282 P C 0.133 177.477 177.300 0.074 0.000 1.157 282 P CA 1.537 64.688 63.100 0.086 0.000 0.880 282 P CB 0.164 31.888 31.700 0.040 0.000 0.791 283 E N -1.152 119.070 120.200 0.037 0.000 2.463 283 E HA 0.069 4.418 4.350 -0.002 0.000 0.191 283 E C -0.065 176.510 176.600 -0.042 0.000 1.083 283 E CA -0.164 56.235 56.400 -0.001 0.000 0.872 283 E CB 0.022 29.717 29.700 -0.010 0.000 0.966 283 E HN 0.093 nan 8.360 nan 0.000 0.491 284 V N 1.263 121.137 119.914 -0.066 0.000 2.617 284 V HA 0.205 4.324 4.120 -0.002 0.000 0.298 284 V C -0.208 175.660 176.094 -0.377 0.000 1.048 284 V CA -0.471 61.697 62.300 -0.219 0.000 0.964 284 V CB 1.667 33.331 31.823 -0.265 0.000 1.004 284 V HN 0.100 nan 8.190 nan 0.000 0.466 285 Q N 3.917 123.529 119.800 -0.312 0.000 2.269 285 Q HA 0.581 4.920 4.340 -0.002 0.000 0.263 285 Q C -1.389 174.496 176.000 -0.192 0.000 0.983 285 Q CA -0.252 55.406 55.803 -0.242 0.000 0.777 285 Q CB 2.600 31.271 28.738 -0.111 0.000 1.273 285 Q HN 0.638 nan 8.270 nan 0.000 0.440 286 I N 1.823 122.294 120.570 -0.165 0.000 2.330 286 I HA 0.286 4.455 4.170 -0.002 0.000 0.289 286 I C 1.182 177.296 176.117 -0.004 0.000 1.001 286 I CA -0.379 60.881 61.300 -0.067 0.000 1.193 286 I CB 1.435 39.421 38.000 -0.024 0.000 1.345 286 I HN 0.889 nan 8.210 nan 0.000 0.461 287 G N 5.311 114.109 108.800 -0.004 0.000 2.524 287 G HA2 -0.130 3.829 3.960 -0.002 0.000 0.215 287 G HA3 -0.130 3.829 3.960 -0.002 0.000 0.215 287 G C 0.432 175.349 174.900 0.029 0.000 1.239 287 G CA 0.576 45.685 45.100 0.014 0.000 0.798 287 G HN 0.639 nan 8.290 nan 0.000 0.557 288 E N -1.257 118.955 120.200 0.020 0.000 2.340 288 E HA 0.505 4.854 4.350 -0.002 0.000 0.273 288 E C -1.810 174.775 176.600 -0.025 0.000 0.891 288 E CA -0.663 55.746 56.400 0.015 0.000 0.757 288 E CB 2.612 32.324 29.700 0.019 0.000 1.231 288 E HN -0.019 nan 8.360 nan 0.000 0.439 289 V N 3.156 123.015 119.914 -0.092 0.000 2.444 289 V HA 0.487 4.606 4.120 -0.002 0.000 0.294 289 V C -0.308 175.707 176.094 -0.133 0.000 1.022 289 V CA -0.333 61.838 62.300 -0.216 0.000 0.850 289 V CB 1.098 32.517 31.823 -0.673 0.000 0.992 289 V HN 0.763 nan 8.190 nan 0.000 0.426 293 Y N 2.194 122.572 120.300 0.129 0.000 2.496 293 Y HA 0.212 4.761 4.550 -0.002 0.000 0.334 293 Y C 0.131 176.192 175.900 0.268 0.000 1.080 293 Y CA 0.449 58.627 58.100 0.130 0.000 1.355 293 Y CB 0.653 39.174 38.460 0.101 0.000 1.193 293 Y HN 0.527 nan 8.280 nan 0.000 0.523 294 E N 6.808 126.865 120.200 -0.238 0.000 2.191 294 E HA 0.383 4.731 4.350 -0.002 0.000 0.278 294 E C -1.758 174.590 176.600 -0.419 0.000 0.972 294 E CA -0.705 55.598 56.400 -0.162 0.000 0.804 294 E CB 0.973 30.740 29.700 0.110 0.000 1.110 294 E HN 0.683 nan 8.360 nan 0.000 0.394 295 Y N 1.263 121.319 120.300 -0.406 0.000 2.624 295 Y HA 0.458 5.006 4.550 -0.002 0.000 0.334 295 Y C -2.036 173.796 175.900 -0.113 0.000 1.155 295 Y CA -1.436 56.448 58.100 -0.359 0.000 1.046 295 Y CB 0.654 38.838 38.460 -0.460 0.000 1.316 295 Y HN 0.380 nan 8.280 nan 0.000 0.457 296 L N 4.125 125.360 121.223 0.020 0.000 2.264 296 L HA 0.683 5.022 4.340 -0.002 0.000 0.289 296 L C -2.748 174.259 176.870 0.228 0.000 1.044 296 L CA -2.399 52.457 54.840 0.026 0.000 0.807 296 L CB 0.970 43.047 42.059 0.029 0.000 1.192 296 L HN 0.451 nan 8.230 nan 0.000 0.425 297 P HA 0.092 nan 4.420 nan 0.000 0.261 297 P C -1.198 176.177 177.300 0.125 0.000 1.183 297 P CA 0.461 63.721 63.100 0.267 0.000 0.761 297 P CB 0.396 32.187 31.700 0.151 0.000 0.785 298 E N 1.994 122.255 120.200 0.101 0.000 2.356 298 E HA 0.237 4.586 4.350 -0.002 0.000 0.275 298 E C -0.903 175.733 176.600 0.060 0.000 0.904 298 E CA -0.663 55.632 56.400 -0.174 0.000 0.757 298 E CB 2.338 31.437 29.700 -1.002 0.000 1.232 298 E HN 0.394 nan 8.360 nan 0.000 0.442 299 E N 2.089 122.357 120.200 0.113 0.000 2.134 299 E HA 0.199 4.548 4.350 -0.002 0.000 0.278 299 E C -0.851 175.964 176.600 0.358 0.000 0.959 299 E CA -0.473 56.087 56.400 0.266 0.000 0.783 299 E CB 0.613 30.442 29.700 0.215 0.000 1.095 299 E HN 0.434 nan 8.360 nan 0.000 0.399 300 Y N 4.497 124.991 120.300 0.324 0.000 2.518 300 Y HA 0.061 4.610 4.550 -0.002 0.000 0.337 300 Y C 1.443 177.517 175.900 0.290 0.000 1.261 300 Y CA -0.108 58.221 58.100 0.380 0.000 1.856 300 Y CB 0.106 38.783 38.460 0.363 0.000 1.798 300 Y HN 0.463 nan 8.280 nan 0.000 0.440 301 R N 1.390 122.091 120.500 0.334 0.000 2.148 301 R HA -0.008 4.330 4.340 -0.002 0.000 0.223 301 R C 1.284 177.712 176.300 0.214 0.000 1.088 301 R CA 0.624 56.864 56.100 0.235 0.000 0.985 301 R CB 0.041 30.449 30.300 0.181 0.000 0.880 301 R HN 0.594 nan 8.270 nan 0.000 0.451 302 G N 0.358 109.322 108.800 0.273 0.000 2.451 302 G HA2 0.285 4.244 3.960 -0.002 0.000 0.303 302 G HA3 0.285 4.244 3.960 -0.002 0.000 0.303 302 G C -0.963 174.179 174.900 0.404 0.000 1.166 302 G CA -0.439 44.846 45.100 0.309 0.000 0.884 302 G HN 0.182 nan 8.290 nan 0.000 0.514 303 N N -0.725 118.119 118.700 0.241 0.000 2.636 303 N HA 0.490 5.229 4.740 -0.002 0.000 0.261 303 N C -2.382 172.923 175.510 -0.342 0.000 1.195 303 N CA -0.592 52.390 53.050 -0.113 0.000 0.902 303 N CB 2.426 40.905 38.487 -0.013 0.000 1.627 303 N HN 0.392 nan 8.380 nan 0.000 0.491 304 F N 2.334 121.591 119.950 -1.154 0.000 2.650 304 F HA 0.574 5.100 4.527 -0.002 0.000 0.310 304 F C -1.517 173.838 175.800 -0.743 0.000 1.112 304 F CA -0.456 57.000 58.000 -0.906 0.000 0.986 304 F CB 1.270 39.620 39.000 -1.083 0.000 1.285 304 F HN 0.629 nan 8.300 nan 0.000 0.440 305 R N 4.176 123.881 120.500 -1.325 0.000 2.644 305 R HA 0.704 5.043 4.340 -0.002 0.000 0.257 305 R C -1.911 173.699 176.300 -1.151 0.000 1.082 305 R CA -0.551 55.013 56.100 -0.893 0.000 0.927 305 R CB 0.904 30.966 30.300 -0.397 0.000 1.258 305 R HN 1.048 nan 8.270 nan 0.000 0.459 306 C N 0.117 118.800 119.300 -1.029 0.000 3.301 306 C HA 0.543 5.002 4.460 -0.002 0.000 0.367 306 C C 1.529 175.659 174.990 -1.434 0.000 1.980 306 C CA -0.219 57.969 59.018 -1.384 0.000 1.349 306 C CB 1.185 28.451 27.740 -0.790 0.000 2.412 306 C HN 1.008 nan 8.230 nan 0.000 0.451 307 N N 0.803 118.690 118.700 -1.355 0.000 2.216 307 N HA -0.111 4.628 4.740 -0.002 0.000 0.183 307 N C 0.089 175.488 175.510 -0.185 0.000 1.017 307 N CA 1.001 53.754 53.050 -0.494 0.000 0.861 307 N CB -0.651 37.732 38.487 -0.173 0.000 0.986 307 N HN 0.819 nan 8.380 nan 0.000 0.428 308 D N 1.599 121.870 120.400 -0.215 0.000 2.348 308 D HA -0.021 4.617 4.640 -0.002 0.000 0.259 308 D C 0.579 176.843 176.300 -0.060 0.000 1.296 308 D CA 0.050 53.998 54.000 -0.087 0.000 0.931 308 D CB 1.000 41.760 40.800 -0.066 0.000 1.067 308 D HN 0.118 nan 8.370 nan 0.000 0.503 309 E N 3.192 123.385 120.200 -0.011 0.000 2.268 309 E HA -0.177 4.172 4.350 -0.002 0.000 0.195 309 E C 1.503 178.127 176.600 0.041 0.000 0.995 309 E CA 0.945 57.355 56.400 0.016 0.000 0.836 309 E CB 0.078 29.800 29.700 0.037 0.000 0.763 309 E HN 0.691 nan 8.360 nan 0.000 0.491 310 E N -0.611 119.615 120.200 0.043 0.000 2.072 310 E HA -0.163 4.186 4.350 -0.002 0.000 0.190 310 E C 1.923 178.576 176.600 0.088 0.000 0.982 310 E CA 0.857 57.297 56.400 0.067 0.000 0.803 310 E CB -0.140 29.597 29.700 0.062 0.000 0.755 310 E HN 0.305 nan 8.360 nan 0.000 0.453 311 L N 1.572 122.833 121.223 0.063 0.000 2.093 311 L HA -0.133 4.206 4.340 -0.002 0.000 0.208 311 L C 1.686 178.650 176.870 0.156 0.000 1.085 311 L CA 1.600 56.487 54.840 0.078 0.000 0.755 311 L CB -0.484 41.596 42.059 0.035 0.000 0.904 311 L HN 0.112 nan 8.230 nan 0.000 0.435 312 N N -1.407 117.362 118.700 0.115 0.000 2.104 312 N HA -0.219 4.520 4.740 -0.002 0.000 0.190 312 N C 1.963 177.602 175.510 0.215 0.000 1.024 312 N CA 1.658 54.791 53.050 0.137 0.000 0.853 312 N CB -0.890 37.617 38.487 0.033 0.000 1.008 312 N HN 0.431 nan 8.380 nan 0.000 0.424 313 C N 0.064 119.465 119.300 0.168 0.000 2.450 313 C HA 0.176 4.635 4.460 -0.002 0.000 0.279 313 C C 2.527 177.658 174.990 0.236 0.000 1.335 313 C CA -0.105 59.015 59.018 0.170 0.000 1.749 313 C CB -1.084 26.726 27.740 0.117 0.000 1.963 313 C HN 0.389 nan 8.230 nan 0.000 0.501 314 I N -0.834 119.900 120.570 0.273 0.000 2.179 314 I HA -0.229 3.940 4.170 -0.002 0.000 0.242 314 I C 2.418 178.755 176.117 0.366 0.000 1.088 314 I CA 1.861 63.392 61.300 0.385 0.000 1.357 314 I CB -0.471 37.653 38.000 0.207 0.000 1.051 314 I HN 0.530 nan 8.210 nan 0.000 0.409 315 W N 2.067 123.440 121.300 0.123 0.000 2.358 315 W HA -0.200 4.459 4.660 -0.002 0.000 0.303 315 W C 2.555 179.177 176.519 0.173 0.000 1.208 315 W CA 1.436 58.844 57.345 0.107 0.000 1.274 315 W CB 0.070 29.609 29.460 0.132 0.000 1.138 315 W HN 0.010 nan 8.180 nan 0.000 0.515 316 E N -0.201 120.292 120.200 0.489 0.000 2.051 316 E HA -0.191 4.158 4.350 -0.002 0.000 0.192 316 E C 2.202 178.915 176.600 0.189 0.000 0.991 316 E CA 1.691 58.306 56.400 0.358 0.000 0.799 316 E CB -1.071 28.795 29.700 0.278 0.000 0.748 316 E HN 0.237 nan 8.360 nan 0.000 0.449 317 V N 0.979 120.974 119.914 0.135 0.000 2.490 317 V HA -0.171 3.948 4.120 -0.002 0.000 0.250 317 V C 2.369 178.485 176.094 0.038 0.000 1.061 317 V CA 1.869 64.154 62.300 -0.025 0.000 1.064 317 V CB -0.981 30.605 31.823 -0.395 0.000 0.670 317 V HN 0.321 nan 8.190 nan 0.000 0.461 318 G N -0.323 108.617 108.800 0.233 0.000 2.402 318 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.216 318 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.216 318 G C 1.772 176.674 174.900 0.004 0.000 1.162 318 G CA 0.956 46.199 45.100 0.238 0.000 0.777 318 G HN 0.591 nan 8.290 nan 0.000 0.539 319 A N -0.125 122.599 122.820 -0.159 0.000 1.933 319 A HA -0.042 4.276 4.320 -0.002 0.000 0.218 319 A C 2.237 179.984 177.584 0.273 0.000 1.175 319 A CA 1.717 53.686 52.037 -0.113 0.000 0.628 319 A CB -0.641 18.268 19.000 -0.151 0.000 0.814 319 A HN 0.449 nan 8.150 nan 0.000 0.444 320 Y N 1.626 122.035 120.300 0.183 0.000 2.242 320 Y HA -0.026 4.523 4.550 -0.002 0.000 0.291 320 Y C 1.452 177.481 175.900 0.214 0.000 1.137 320 Y CA 1.171 59.414 58.100 0.239 0.000 1.181 320 Y CB -0.908 37.623 38.460 0.117 0.000 0.989 320 Y HN 0.227 nan 8.280 nan 0.000 0.527 324 L N 1.425 122.655 121.223 0.013 0.000 2.131 324 L HA -0.075 4.264 4.340 -0.002 0.000 0.210 324 L C 2.031 178.804 176.870 -0.162 0.000 1.092 324 L CA 2.060 56.796 54.840 -0.173 0.000 0.759 324 L CB -0.281 41.601 42.059 -0.295 0.000 0.903 324 L HN 0.451 nan 8.230 nan 0.000 0.435 325 T N -5.361 109.174 114.554 -0.032 0.000 3.188 325 T HA 0.051 4.400 4.350 -0.002 0.000 0.250 325 T C 0.649 175.395 174.700 0.077 0.000 1.077 325 T CA -0.097 61.992 62.100 -0.018 0.000 0.967 325 T CB -0.210 68.667 68.868 0.016 0.000 1.006 325 T HN -0.003 nan 8.240 nan 0.000 0.552 326 T N 3.225 117.824 114.554 0.076 0.000 3.149 326 T HA 0.421 4.770 4.350 -0.002 0.000 0.373 326 T C 0.410 175.036 174.700 -0.123 0.000 1.364 326 T CA -0.863 61.218 62.100 -0.032 0.000 1.110 326 T CB 0.866 69.765 68.868 0.052 0.000 1.127 326 T HN 0.345 nan 8.240 nan 0.000 0.576 327 R N 1.680 122.088 120.500 -0.153 0.000 2.449 327 R HA 0.413 4.752 4.340 -0.002 0.000 0.130 327 R C 1.103 177.345 176.300 -0.096 0.000 1.404 327 R CA -0.638 55.387 56.100 -0.125 0.000 1.271 327 R CB -0.001 30.209 30.300 -0.149 0.000 1.431 327 R HN 0.209 nan 8.270 nan 0.000 0.477 328 E N 0.051 120.247 120.200 -0.006 0.000 2.204 328 E HA -0.016 4.333 4.350 -0.002 0.000 0.195 328 E C -0.333 175.924 176.600 -0.572 0.000 0.990 328 E CA 1.409 57.764 56.400 -0.074 0.000 0.821 328 E CB 0.021 29.786 29.700 0.108 0.000 0.750 328 E HN 0.133 nan 8.360 nan 0.000 0.477 329 F N -2.482 117.406 119.950 -0.104 0.000 2.715 329 F HA 0.387 4.913 4.527 -0.002 0.000 0.318 329 F C -0.737 174.966 175.800 -0.162 0.000 1.141 329 F CA -1.302 56.618 58.000 -0.133 0.000 0.950 329 F CB 0.923 39.922 39.000 -0.001 0.000 1.374 329 F HN -0.330 nan 8.300 nan 0.000 0.477 330 F N 3.130 123.236 119.950 0.259 0.000 2.438 330 F HA 0.506 5.032 4.527 -0.002 0.000 0.356 330 F C 0.495 176.356 175.800 0.101 0.000 1.099 330 F CA -0.643 57.440 58.000 0.137 0.000 1.185 330 F CB 0.457 39.532 39.000 0.126 0.000 1.115 330 F HN 0.176 nan 8.300 nan 0.000 0.526 331 I N -0.232 120.457 120.570 0.198 0.000 3.133 331 I HA 0.490 4.659 4.170 -0.002 0.000 0.311 331 I C 0.663 176.761 176.117 -0.033 0.000 1.072 331 I CA -0.932 60.428 61.300 0.100 0.000 1.015 331 I CB 1.629 39.657 38.000 0.046 0.000 1.233 331 I HN 0.492 nan 8.210 nan 0.000 0.473 332 D N 1.747 122.084 120.400 -0.104 0.000 2.091 332 D HA 0.107 4.746 4.640 -0.002 0.000 0.199 332 D C 0.683 176.484 176.300 -0.832 0.000 0.980 332 D CA 1.044 54.736 54.000 -0.513 0.000 0.831 332 D CB -0.264 40.234 40.800 -0.504 0.000 0.987 332 D HN 0.793 nan 8.370 nan 0.000 0.460 333 G N -0.334 108.183 108.800 -0.472 0.000 2.704 333 G HA2 0.451 4.409 3.960 -0.002 0.000 0.293 333 G HA3 0.451 4.409 3.960 -0.002 0.000 0.293 333 G C 0.669 175.505 174.900 -0.107 0.000 1.421 333 G CA -0.289 44.668 45.100 -0.239 0.000 0.870 333 G HN 0.194 nan 8.290 nan 0.000 0.492 334 I N -1.153 119.385 120.570 -0.053 0.000 2.584 334 I HA 0.224 4.393 4.170 -0.002 0.000 0.255 334 I C 2.079 178.241 176.117 0.074 0.000 1.145 334 I CA 0.748 62.019 61.300 -0.047 0.000 1.462 334 I CB 0.070 38.024 38.000 -0.076 0.000 1.102 334 I HN 0.491 nan 8.210 nan 0.000 0.433 335 K N 1.663 122.106 120.400 0.072 0.000 1.995 335 K HA 0.032 4.351 4.320 -0.002 0.000 0.207 335 K C 1.178 177.778 176.600 -0.000 0.000 1.041 335 K CA 0.430 56.757 56.287 0.066 0.000 0.942 335 K CB 0.221 32.775 32.500 0.091 0.000 0.731 335 K HN 0.133 nan 8.250 nan 0.000 0.439 336 R N 0.422 120.911 120.500 -0.019 0.000 2.460 336 R HA 0.075 4.414 4.340 -0.002 0.000 0.303 336 R C -0.799 175.359 176.300 -0.236 0.000 0.968 336 R CA 0.350 56.378 56.100 -0.121 0.000 0.889 336 R CB 1.161 31.417 30.300 -0.074 0.000 1.123 336 R HN 0.406 nan 8.270 nan 0.000 0.455 337 D N 1.342 121.425 120.400 -0.529 0.000 3.927 337 D HA -0.290 4.349 4.640 -0.002 0.000 0.204 337 D C -0.455 175.366 176.300 -0.799 0.000 1.093 337 D CA 2.568 55.996 54.000 -0.952 0.000 2.340 337 D CB -0.680 39.879 40.800 -0.401 0.000 1.185 337 D HN 0.878 nan 8.370 nan 0.000 0.443 338 R N -0.772 119.550 120.500 -0.297 0.000 3.225 338 R HA -0.218 4.121 4.340 -0.002 0.000 0.245 338 R C -1.104 175.224 176.300 0.046 0.000 0.928 338 R CA 1.296 57.326 56.100 -0.117 0.000 0.632 338 R CB -2.514 27.736 30.300 -0.083 0.000 1.038 338 R HN 0.412 nan 8.270 nan 0.000 0.461 339 W N -0.290 121.053 121.300 0.072 0.000 2.850 339 W HA 0.565 5.224 4.660 -0.002 0.000 0.349 339 W C 0.026 176.619 176.519 0.123 0.000 1.133 339 W CA -1.600 55.772 57.345 0.045 0.000 1.117 339 W CB 0.886 30.341 29.460 -0.008 0.000 1.442 339 W HN -0.074 nan 8.180 nan 0.000 0.575 340 V N 1.940 122.008 119.914 0.257 0.000 2.385 340 V HA 0.172 4.291 4.120 -0.002 0.000 0.269 340 V C -0.968 175.173 176.094 0.079 0.000 1.043 340 V CA -0.300 62.089 62.300 0.149 0.000 0.906 340 V CB -0.149 31.669 31.823 -0.009 0.000 0.995 340 V HN 0.377 nan 8.190 nan 0.000 0.467 341 W N 2.441 123.743 121.300 0.005 0.000 2.632 341 W HA 0.440 5.099 4.660 -0.002 0.000 0.328 341 W C 1.543 177.963 176.519 -0.165 0.000 1.044 341 W CA -0.297 57.017 57.345 -0.052 0.000 1.225 341 W CB 2.022 31.511 29.460 0.048 0.000 1.396 341 W HN 0.516 nan 8.180 nan 0.000 0.499 342 S N 1.985 117.703 115.700 0.029 0.000 2.359 342 S HA -0.148 4.321 4.470 -0.002 0.000 0.224 342 S C 2.009 176.340 174.600 -0.448 0.000 1.035 342 S CA 2.283 60.394 58.200 -0.148 0.000 1.018 342 S CB -0.634 62.551 63.200 -0.025 0.000 0.876 342 S HN 0.751 nan 8.310 nan 0.000 0.448 343 G N 0.619 108.715 108.800 -1.174 0.000 2.418 343 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.217 343 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.217 343 G C 1.027 175.713 174.900 -0.356 0.000 1.158 343 G CA 1.285 45.809 45.100 -0.960 0.000 0.771 343 G HN 0.599 nan 8.290 nan 0.000 0.545 344 D N 0.970 121.238 120.400 -0.220 0.000 2.103 344 D HA 0.101 4.740 4.640 -0.002 0.000 0.199 344 D C 2.770 178.921 176.300 -0.248 0.000 0.978 344 D CA 1.166 55.103 54.000 -0.105 0.000 0.829 344 D CB -0.463 40.220 40.800 -0.196 0.000 0.981 344 D HN 0.302 nan 8.370 nan 0.000 0.464 345 A N 0.932 123.566 122.820 -0.310 0.000 1.883 345 A HA -0.192 4.127 4.320 -0.002 0.000 0.217 345 A C 2.232 179.114 177.584 -1.169 0.000 1.186 345 A CA 1.138 52.819 52.037 -0.595 0.000 0.624 345 A CB -0.987 17.786 19.000 -0.378 0.000 0.822 345 A HN 0.319 nan 8.150 nan 0.000 0.444 346 I N -0.643 119.459 120.570 -0.780 0.000 2.264 346 I HA -0.327 3.841 4.170 -0.002 0.000 0.248 346 I C 2.519 178.311 176.117 -0.540 0.000 1.111 346 I CA 1.771 62.705 61.300 -0.610 0.000 1.382 346 I CB -0.184 37.709 38.000 -0.179 0.000 1.060 346 I HN 0.465 nan 8.210 nan 0.000 0.418 347 Q N -0.266 119.206 119.800 -0.547 0.000 2.123 347 Q HA -0.127 4.212 4.340 -0.002 0.000 0.199 347 Q C 2.321 178.060 176.000 -0.433 0.000 0.966 347 Q CA 1.616 57.067 55.803 -0.586 0.000 0.845 347 Q CB 0.024 28.345 28.738 -0.696 0.000 0.907 347 Q HN 0.475 nan 8.270 nan 0.000 0.439 348 S N 0.331 115.717 115.700 -0.524 0.000 2.368 348 S HA -0.156 4.312 4.470 -0.002 0.000 0.225 348 S C 1.689 175.808 174.600 -0.801 0.000 1.030 348 S CA 1.168 59.006 58.200 -0.604 0.000 0.999 348 S CB -0.317 62.457 63.200 -0.710 0.000 0.844 348 S HN 0.371 nan 8.310 nan 0.000 0.459 349 Y N 1.673 121.456 120.300 -0.862 0.000 2.128 349 Y HA 0.034 4.583 4.550 -0.002 0.000 0.284 349 Y C 1.452 176.632 175.900 -1.200 0.000 1.154 349 Y CA -0.315 57.185 58.100 -1.001 0.000 1.149 349 Y CB -1.434 36.680 38.460 -0.575 0.000 0.976 349 Y HN 0.174 nan 8.280 nan 0.000 0.505 353 Y N 0.741 120.998 120.300 -0.072 0.000 2.497 353 Y HA 0.135 4.684 4.550 -0.002 0.000 0.292 353 Y C 0.798 176.611 175.900 -0.145 0.000 1.137 353 Y CA 0.835 58.877 58.100 -0.096 0.000 1.285 353 Y CB -0.447 37.680 38.460 -0.556 0.000 0.991 353 Y HN 0.236 nan 8.280 nan 0.000 0.556 354 Y N -1.983 118.462 120.300 0.242 0.000 2.636 354 Y HA 0.283 4.832 4.550 -0.002 0.000 0.260 354 Y C 1.115 177.100 175.900 0.142 0.000 1.177 354 Y CA -0.308 57.914 58.100 0.202 0.000 1.209 354 Y CB 0.458 39.014 38.460 0.161 0.000 1.166 354 Y HN 0.068 nan 8.280 nan 0.000 0.531 355 L N -2.488 118.793 121.223 0.097 0.000 2.923 355 L HA 0.269 4.608 4.340 -0.002 0.000 0.161 355 L C 0.662 177.458 176.870 -0.124 0.000 1.202 355 L CA 0.834 55.594 54.840 -0.134 0.000 0.920 355 L CB -0.500 41.171 42.059 -0.646 0.000 1.773 355 L HN -0.086 nan 8.230 nan 0.000 0.532 356 F N -0.937 119.051 119.950 0.065 0.000 2.505 356 F HA 0.302 4.828 4.527 -0.002 0.000 0.289 356 F C 0.764 176.702 175.800 0.230 0.000 1.101 356 F CA -0.183 57.847 58.000 0.051 0.000 1.446 356 F CB -0.393 38.580 39.000 -0.046 0.000 1.123 356 F HN -0.009 nan 8.300 nan 0.000 0.564 357 F N 2.066 122.161 119.950 0.242 0.000 2.983 357 F HA -0.276 4.249 4.527 -0.002 0.000 0.288 357 F C 0.046 176.001 175.800 0.258 0.000 0.980 357 F CA -0.202 57.947 58.000 0.249 0.000 0.965 357 F CB -1.161 37.947 39.000 0.181 0.000 0.967 357 F HN 0.011 nan 8.300 nan 0.000 0.800 358 D N 0.687 121.231 120.400 0.240 0.000 2.522 358 D HA 0.285 4.924 4.640 -0.002 0.000 0.218 358 D C 1.071 177.413 176.300 0.071 0.000 1.149 358 D CA 0.600 54.701 54.000 0.168 0.000 0.981 358 D CB 0.731 41.621 40.800 0.149 0.000 1.041 358 D HN 0.259 nan 8.370 nan 0.000 0.518 359 S N 2.248 117.965 115.700 0.028 0.000 2.399 359 S HA -0.132 4.337 4.470 -0.002 0.000 0.231 359 S C 1.656 176.190 174.600 -0.111 0.000 1.022 359 S CA 0.638 58.850 58.200 0.020 0.000 0.983 359 S CB 0.126 63.413 63.200 0.145 0.000 0.803 359 S HN 0.519 nan 8.310 nan 0.000 0.480 360 E N 1.434 121.587 120.200 -0.078 0.000 2.077 360 E HA -0.038 4.310 4.350 -0.002 0.000 0.193 360 E C 2.250 178.653 176.600 -0.327 0.000 0.989 360 E CA 0.809 57.087 56.400 -0.203 0.000 0.800 360 E CB -0.472 29.134 29.700 -0.157 0.000 0.746 360 E HN 0.381 nan 8.360 nan 0.000 0.452 361 S N 0.551 116.096 115.700 -0.258 0.000 2.383 361 S HA -0.085 4.383 4.470 -0.002 0.000 0.227 361 S C 2.242 176.785 174.600 -0.096 0.000 1.026 361 S CA 0.738 58.743 58.200 -0.325 0.000 0.981 361 S CB -0.081 62.805 63.200 -0.523 0.000 0.818 361 S HN 0.044 nan 8.310 nan 0.000 0.472 362 V N 1.911 121.784 119.914 -0.069 0.000 2.295 362 V HA -0.191 3.928 4.120 -0.002 0.000 0.246 362 V C 2.281 177.987 176.094 -0.648 0.000 1.049 362 V CA 1.634 63.693 62.300 -0.402 0.000 1.024 362 V CB -0.495 30.921 31.823 -0.679 0.000 0.648 362 V HN 0.421 nan 8.190 nan 0.000 0.447 363 K N -0.338 119.609 120.400 -0.756 0.000 2.057 363 K HA -0.131 4.188 4.320 -0.002 0.000 0.207 363 K C 2.413 178.975 176.600 -0.064 0.000 1.049 363 K CA 1.283 57.105 56.287 -0.776 0.000 0.931 363 K CB -0.237 31.772 32.500 -0.819 0.000 0.714 363 K HN 0.375 nan 8.250 nan 0.000 0.440 364 R N 0.141 120.649 120.500 0.013 0.000 2.081 364 R HA -0.094 4.245 4.340 -0.002 0.000 0.235 364 R C 2.305 178.935 176.300 0.550 0.000 1.131 364 R CA 1.738 57.997 56.100 0.265 0.000 0.960 364 R CB -0.471 29.698 30.300 -0.217 0.000 0.856 364 R HN 0.206 nan 8.270 nan 0.000 0.436 365 T N 1.317 116.145 114.554 0.457 0.000 2.821 365 T HA -0.042 4.307 4.350 -0.002 0.000 0.267 365 T C 1.924 176.879 174.700 0.425 0.000 1.046 365 T CA 0.957 63.383 62.100 0.544 0.000 1.139 365 T CB -0.082 69.195 68.868 0.681 0.000 0.871 365 T HN 0.153 nan 8.240 nan 0.000 0.454 366 I N -0.719 120.038 120.570 0.311 0.000 2.226 366 I HA -0.159 4.010 4.170 -0.002 0.000 0.245 366 I C 2.269 178.681 176.117 0.491 0.000 1.100 366 I CA 1.376 62.888 61.300 0.353 0.000 1.374 366 I CB -0.301 37.754 38.000 0.092 0.000 1.057 366 I HN 0.340 nan 8.210 nan 0.000 0.413 367 W N 0.471 122.007 121.300 0.393 0.000 2.335 367 W HA -0.257 4.402 4.660 -0.002 0.000 0.311 367 W C 2.503 179.136 176.519 0.190 0.000 1.213 367 W CA 0.443 57.988 57.345 0.333 0.000 1.274 367 W CB -0.427 29.229 29.460 0.327 0.000 1.148 367 W HN 0.110 nan 8.180 nan 0.000 0.498 368 L N 0.329 121.780 121.223 0.380 0.000 1.989 368 L HA -0.199 4.140 4.340 -0.002 0.000 0.211 368 L C 2.163 179.013 176.870 -0.034 0.000 1.071 368 L CA 1.882 56.758 54.840 0.060 0.000 0.749 368 L CB -1.161 40.740 42.059 -0.263 0.000 0.890 368 L HN 0.025 nan 8.230 nan 0.000 0.431 369 L N -0.812 120.420 121.223 0.015 0.000 2.079 369 L HA -0.225 4.114 4.340 -0.002 0.000 0.210 369 L C 2.735 179.389 176.870 -0.359 0.000 1.081 369 L CA 1.346 56.098 54.840 -0.147 0.000 0.752 369 L CB -0.479 41.604 42.059 0.039 0.000 0.896 369 L HN 0.314 nan 8.230 nan 0.000 0.433 370 R N 0.558 120.883 120.500 -0.290 0.000 2.115 370 R HA 0.028 4.366 4.340 -0.002 0.000 0.226 370 R C 1.071 177.159 176.300 -0.353 0.000 1.100 370 R CA 0.894 56.639 56.100 -0.592 0.000 0.980 370 R CB -0.624 29.466 30.300 -0.350 0.000 0.875 370 R HN 0.359 nan 8.270 nan 0.000 0.445 371 G N 0.074 108.781 108.800 -0.156 0.000 2.601 371 G HA2 -0.339 3.620 3.960 -0.002 0.000 0.252 371 G HA3 -0.339 3.620 3.960 -0.002 0.000 0.252 371 G C -0.802 174.047 174.900 -0.085 0.000 1.294 371 G CA 0.331 45.351 45.100 -0.133 0.000 0.912 371 G HN 0.468 nan 8.290 nan 0.000 0.574 372 K N -0.123 120.205 120.400 -0.121 0.000 2.313 372 K HA 0.598 4.916 4.320 -0.002 0.000 0.235 372 K C -0.458 176.077 176.600 -0.107 0.000 1.035 372 K CA -0.641 55.586 56.287 -0.100 0.000 0.868 372 K CB 1.043 33.437 32.500 -0.177 0.000 1.232 372 K HN 0.510 nan 8.250 nan 0.000 0.459 373 D N 1.498 121.864 120.400 -0.058 0.000 2.312 373 D HA 0.263 4.902 4.640 -0.002 0.000 0.248 373 D C -2.037 174.224 176.300 -0.064 0.000 1.086 373 D CA -1.034 52.935 54.000 -0.053 0.000 0.948 373 D CB 0.717 41.524 40.800 0.011 0.000 1.162 373 D HN 0.340 nan 8.370 nan 0.000 0.446 374 P HA 0.148 nan 4.420 nan 0.000 0.276 374 P C -0.572 176.644 177.300 -0.139 0.000 1.244 374 P CA -0.477 62.580 63.100 -0.072 0.000 0.801 374 P CB 0.854 32.524 31.700 -0.049 0.000 1.006 375 V N 2.297 122.104 119.914 -0.179 0.000 2.455 375 V HA 0.107 4.225 4.120 -0.002 0.000 0.273 375 V C 1.674 177.521 176.094 -0.412 0.000 1.045 375 V CA 0.645 62.734 62.300 -0.352 0.000 0.976 375 V CB 0.362 31.925 31.823 -0.434 0.000 0.993 375 V HN 0.863 nan 8.190 nan 0.000 0.475 376 T N -0.383 113.924 114.554 -0.411 0.000 3.044 376 T HA 0.319 4.668 4.350 -0.002 0.000 0.260 376 T C 0.427 174.918 174.700 -0.348 0.000 1.019 376 T CA 0.392 62.316 62.100 -0.292 0.000 0.921 376 T CB 0.201 68.976 68.868 -0.154 0.000 1.053 376 T HN 0.881 nan 8.240 nan 0.000 0.533 377 S N -0.128 115.200 115.700 -0.620 0.000 2.656 377 S HA 0.345 4.814 4.470 -0.002 0.000 0.265 377 S C -1.251 173.030 174.600 -0.532 0.000 1.110 377 S CA -1.093 56.836 58.200 -0.451 0.000 0.821 377 S CB 0.553 63.686 63.200 -0.113 0.000 1.099 377 S HN 0.221 nan 8.310 nan 0.000 0.471 378 H N 1.195 120.210 119.070 -0.091 0.000 2.730 378 H HA 0.340 4.895 4.556 -0.002 0.000 0.376 378 H C 0.537 175.710 175.328 -0.259 0.000 1.299 378 H CA 0.571 56.549 56.048 -0.117 0.000 1.447 378 H CB 0.403 30.134 29.762 -0.052 0.000 1.493 378 H HN 0.722 nan 8.280 nan 0.000 0.619 379 S N 1.225 116.831 115.700 -0.156 0.000 2.546 379 S HA -0.080 4.389 4.470 -0.002 0.000 0.290 379 S C 0.734 175.126 174.600 -0.347 0.000 1.262 379 S CA 0.191 58.193 58.200 -0.331 0.000 1.083 379 S CB -0.447 62.609 63.200 -0.241 0.000 0.859 379 S HN 0.671 nan 8.310 nan 0.000 0.495 380 N N 0.989 119.227 118.700 -0.769 0.000 2.753 380 N HA -0.268 4.471 4.740 -0.002 0.000 0.251 380 N C 0.634 176.045 175.510 -0.164 0.000 1.097 380 N CA 0.755 53.212 53.050 -0.988 0.000 0.786 380 N CB -1.873 36.118 38.487 -0.827 0.000 1.137 380 N HN 1.031 nan 8.380 nan 0.000 0.566 381 T N -5.081 109.443 114.554 -0.050 0.000 7.578 381 T HA -0.293 4.055 4.350 -0.002 0.000 0.299 381 T C 0.238 175.074 174.700 0.226 0.000 2.097 381 T CA 1.495 63.717 62.100 0.204 0.000 3.248 381 T CB -2.136 67.002 68.868 0.451 0.000 2.014 381 T HN 0.538 nan 8.240 nan 0.000 1.198 385 Y N 2.355 122.526 120.300 -0.216 0.000 2.373 385 Y HA 0.077 4.626 4.550 -0.002 0.000 0.293 385 Y C 2.599 178.477 175.900 -0.036 0.000 1.129 385 Y CA 1.114 59.241 58.100 0.046 0.000 1.226 385 Y CB -0.600 37.884 38.460 0.040 0.000 1.000 385 Y HN 0.023 nan 8.280 nan 0.000 0.549 386 T N 0.115 114.602 114.554 -0.112 0.000 2.821 386 T HA -0.131 4.218 4.350 -0.002 0.000 0.267 386 T C 1.579 176.354 174.700 0.125 0.000 1.046 386 T CA 1.310 63.348 62.100 -0.103 0.000 1.139 386 T CB -0.404 68.389 68.868 -0.125 0.000 0.871 386 T HN 0.101 nan 8.240 nan 0.000 0.454 387 F N 0.301 120.363 119.950 0.187 0.000 2.186 387 F HA 0.078 4.604 4.527 -0.002 0.000 0.299 387 F C 2.059 178.011 175.800 0.254 0.000 1.090 387 F CA -0.096 58.063 58.000 0.265 0.000 1.307 387 F CB -1.355 37.641 39.000 -0.007 0.000 1.019 387 F HN 0.174 nan 8.300 nan 0.000 0.489 388 Y N -1.545 118.999 120.300 0.406 0.000 2.128 388 Y HA -0.279 4.270 4.550 -0.001 0.000 0.284 388 Y C 2.377 178.447 175.900 0.283 0.000 1.154 388 Y CA 0.954 59.234 58.100 0.301 0.000 1.149 388 Y CB -1.495 37.056 38.460 0.151 0.000 0.976 388 Y HN 0.177 nan 8.280 nan 0.000 0.505 389 W N -0.035 121.393 121.300 0.212 0.000 2.318 389 W HA -0.291 4.367 4.660 -0.003 0.000 0.313 389 W C 1.866 178.455 176.519 0.117 0.000 1.221 389 W CA 2.003 59.394 57.345 0.076 0.000 1.266 389 W CB -0.880 28.494 29.460 -0.144 0.000 1.150 389 W HN 0.009 nan 8.180 nan 0.000 0.496 390 F N 0.024 120.137 119.950 0.273 0.000 2.069 390 F HA -0.228 4.298 4.527 -0.001 0.000 0.298 390 F C 2.195 178.012 175.800 0.028 0.000 1.113 390 F CA 1.485 59.513 58.000 0.047 0.000 1.214 390 F CB -1.539 37.595 39.000 0.223 0.000 0.978 390 F HN -0.201 nan 8.300 nan 0.000 0.474 391 L N 0.040 121.492 121.223 0.383 0.000 2.079 391 L HA -0.215 4.124 4.340 -0.002 0.000 0.210 391 L C 2.701 179.766 176.870 0.325 0.000 1.081 391 L CA 2.025 57.071 54.840 0.343 0.000 0.752 391 L CB -1.627 40.683 42.059 0.418 0.000 0.896 391 L HN 0.281 nan 8.230 nan 0.000 0.433 392 S N -1.503 114.364 115.700 0.279 0.000 2.419 392 S HA -0.137 4.332 4.470 -0.002 0.000 0.233 392 S C 1.989 176.733 174.600 0.240 0.000 1.016 392 S CA 1.250 59.639 58.200 0.314 0.000 0.974 392 S CB -0.770 62.666 63.200 0.392 0.000 0.786 392 S HN 0.179 nan 8.310 nan 0.000 0.492 393 V N 0.352 120.316 119.914 0.083 0.000 2.307 393 V HA -0.092 4.027 4.120 -0.002 0.000 0.245 393 V C 2.283 178.554 176.094 0.296 0.000 1.045 393 V CA 1.922 64.294 62.300 0.120 0.000 1.024 393 V CB -1.041 30.711 31.823 -0.117 0.000 0.651 393 V HN 0.613 nan 8.190 nan 0.000 0.449 394 Y N 1.103 121.501 120.300 0.163 0.000 2.314 394 Y HA -0.160 4.389 4.550 -0.001 0.000 0.293 394 Y C 2.281 178.339 175.900 0.263 0.000 1.129 394 Y CA 1.436 59.656 58.100 0.200 0.000 1.201 394 Y CB -0.267 38.273 38.460 0.134 0.000 0.999 394 Y HN 0.312 nan 8.280 nan 0.000 0.541 395 D N -1.052 119.524 120.400 0.294 0.000 2.117 395 D HA -0.235 4.404 4.640 -0.002 0.000 0.197 395 D C 1.884 178.329 176.300 0.242 0.000 0.987 395 D CA 1.493 55.677 54.000 0.306 0.000 0.829 395 D CB -0.660 40.405 40.800 0.441 0.000 0.961 395 D HN 0.461 nan 8.370 nan 0.000 0.460 396 Y N 0.472 120.857 120.300 0.142 0.000 2.224 396 Y HA -0.164 4.385 4.550 -0.002 0.000 0.289 396 Y C 0.890 176.775 175.900 -0.025 0.000 1.146 396 Y CA 0.686 58.809 58.100 0.037 0.000 1.182 396 Y CB -0.621 37.836 38.460 -0.005 0.000 0.983 396 Y HN -0.050 nan 8.280 nan 0.000 0.524 400 S N -0.628 114.840 115.700 -0.387 0.000 2.497 400 S HA 0.407 4.876 4.470 -0.002 0.000 0.218 400 S C 1.806 176.235 174.600 -0.286 0.000 1.023 400 S CA 0.827 58.849 58.200 -0.296 0.000 0.913 400 S CB 0.809 63.616 63.200 -0.655 0.000 0.800 400 S HN 1.001 nan 8.310 nan 0.000 0.505 401 G N 1.749 110.255 108.800 -0.489 0.000 2.155 401 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.257 401 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.257 401 G C -0.114 174.701 174.900 -0.141 0.000 0.983 401 G CA 0.326 45.157 45.100 -0.447 0.000 0.676 401 G HN 0.604 nan 8.290 nan 0.000 0.528 402 D N 0.203 120.534 120.400 -0.115 0.000 2.545 402 D HA 0.208 4.846 4.640 -0.002 0.000 0.227 402 D C 1.649 178.162 176.300 0.356 0.000 1.150 402 D CA -0.319 53.759 54.000 0.130 0.000 1.046 402 D CB -0.035 40.827 40.800 0.103 0.000 1.098 402 D HN 0.506 nan 8.370 nan 0.000 0.502 403 R N 1.685 122.407 120.500 0.371 0.000 2.092 403 R HA -0.200 4.139 4.340 -0.002 0.000 0.231 403 R C 1.716 178.162 176.300 0.244 0.000 1.119 403 R CA 1.089 57.370 56.100 0.302 0.000 0.970 403 R CB -0.113 30.340 30.300 0.255 0.000 0.864 403 R HN 0.449 nan 8.270 nan 0.000 0.440 404 H N -0.355 118.837 119.070 0.204 0.000 2.353 404 H HA -0.218 4.337 4.556 -0.002 0.000 0.298 404 H C 1.629 177.110 175.328 0.255 0.000 1.103 404 H CA 2.277 58.445 56.048 0.200 0.000 1.293 404 H CB -0.421 29.463 29.762 0.203 0.000 1.372 404 H HN 0.263 nan 8.280 nan 0.000 0.501 405 F N 0.312 120.337 119.950 0.125 0.000 2.102 405 F HA -0.180 4.346 4.527 -0.001 0.000 0.298 405 F C 2.296 178.092 175.800 -0.007 0.000 1.105 405 F CA 1.556 59.598 58.000 0.071 0.000 1.239 405 F CB -0.835 38.307 39.000 0.236 0.000 0.991 405 F HN 0.081 nan 8.300 nan 0.000 0.474 406 V N 1.175 121.065 119.914 -0.039 0.000 2.332 406 V HA -0.355 3.764 4.120 -0.002 0.000 0.248 406 V C 2.285 178.294 176.094 -0.142 0.000 1.055 406 V CA 2.168 64.368 62.300 -0.167 0.000 1.038 406 V CB -0.949 30.833 31.823 -0.068 0.000 0.651 406 V HN 0.396 nan 8.190 nan 0.000 0.450 407 N N 0.074 118.719 118.700 -0.092 0.000 2.104 407 N HA -0.190 4.549 4.740 -0.002 0.000 0.190 407 N C 1.920 177.415 175.510 -0.025 0.000 1.024 407 N CA 1.429 54.450 53.050 -0.048 0.000 0.853 407 N CB -0.284 38.189 38.487 -0.024 0.000 1.008 407 N HN 0.610 nan 8.380 nan 0.000 0.424 408 Q N -0.013 119.713 119.800 -0.122 0.000 2.172 408 Q HA -0.031 4.307 4.340 -0.002 0.000 0.200 408 Q C 1.905 177.937 176.000 0.054 0.000 0.964 408 Q CA 0.650 56.457 55.803 0.006 0.000 0.855 408 Q CB -0.039 28.748 28.738 0.081 0.000 0.918 408 Q HN 0.225 nan 8.270 nan 0.000 0.444 409 L N -0.491 120.565 121.223 -0.280 0.000 2.270 409 L HA -0.064 4.274 4.340 -0.002 0.000 0.210 409 L C 2.036 178.900 176.870 -0.010 0.000 1.104 409 L CA 0.901 55.540 54.840 -0.335 0.000 0.804 409 L CB -0.408 41.135 42.059 -0.860 0.000 0.937 409 L HN 0.088 nan 8.230 nan 0.000 0.450 410 Y N 1.502 121.757 120.300 -0.076 0.000 2.096 410 Y HA -0.284 4.265 4.550 -0.003 0.000 0.278 410 Y C -0.535 175.440 175.900 0.124 0.000 1.192 410 Y CA 2.581 60.700 58.100 0.031 0.000 1.143 410 Y CB -1.705 36.766 38.460 0.019 0.000 0.963 410 Y HN 0.250 nan 8.280 nan 0.000 0.505 411 P HA -0.155 nan 4.420 nan 0.000 0.215 411 P C 0.404 177.739 177.300 0.059 0.000 1.153 411 P CA 1.662 64.808 63.100 0.077 0.000 0.853 411 P CB -0.009 31.802 31.700 0.185 0.000 0.788 419 Y N 3.030 123.377 120.300 0.078 0.000 2.145 419 Y HA -0.168 4.381 4.550 -0.001 0.000 0.286 419 Y C 2.057 177.974 175.900 0.027 0.000 1.145 419 Y CA 1.937 60.045 58.100 0.014 0.000 1.148 419 Y CB -0.343 38.087 38.460 -0.051 0.000 0.981 419 Y HN -0.123 nan 8.280 nan 0.000 0.507 420 V N 0.611 120.578 119.914 0.088 0.000 2.261 420 V HA -0.327 3.791 4.120 -0.002 0.000 0.246 420 V C 2.494 178.579 176.094 -0.015 0.000 1.047 420 V CA 2.110 64.427 62.300 0.029 0.000 1.015 420 V CB -0.900 31.109 31.823 0.310 0.000 0.642 420 V HN 0.445 nan 8.190 nan 0.000 0.446 421 L N 0.652 121.942 121.223 0.112 0.000 2.265 421 L HA -0.075 4.263 4.340 -0.002 0.000 0.215 421 L C 2.274 179.168 176.870 0.039 0.000 1.117 421 L CA 1.346 56.261 54.840 0.125 0.000 0.782 421 L CB -0.772 41.394 42.059 0.178 0.000 0.914 421 L HN 0.500 nan 8.230 nan 0.000 0.441 422 G N -0.604 108.183 108.800 -0.022 0.000 2.985 422 G HA2 -0.029 3.930 3.960 -0.002 0.000 0.209 422 G HA3 -0.029 3.930 3.960 -0.002 0.000 0.209 422 G C 1.294 176.135 174.900 -0.098 0.000 1.165 422 G CA -0.243 44.830 45.100 -0.045 0.000 0.776 422 G HN 0.319 nan 8.290 nan 0.000 0.541 423 R N 0.491 120.909 120.500 -0.137 0.000 2.629 423 R HA 0.164 4.503 4.340 -0.002 0.000 0.386 423 R C 0.321 176.566 176.300 -0.091 0.000 1.071 423 R CA -0.021 55.989 56.100 -0.149 0.000 1.104 423 R CB 0.566 30.703 30.300 -0.272 0.000 1.370 423 R HN 0.299 nan 8.270 nan 0.000 0.574 424 T N -0.805 113.722 114.554 -0.046 0.000 2.874 424 T HA 0.245 4.594 4.350 -0.002 0.000 0.281 424 T C 0.475 175.180 174.700 0.009 0.000 0.994 424 T CA -0.905 61.190 62.100 -0.009 0.000 1.015 424 T CB 1.337 70.249 68.868 0.073 0.000 1.028 424 T HN 0.122 nan 8.240 nan 0.000 0.523 425 N N 0.310 119.026 118.700 0.025 0.000 2.593 425 N HA 0.211 4.949 4.740 -0.002 0.000 0.304 425 N C 1.129 176.656 175.510 0.029 0.000 1.296 425 N CA -0.915 52.149 53.050 0.024 0.000 0.950 425 N CB 0.351 38.854 38.487 0.026 0.000 1.127 425 N HN 0.820 nan 8.380 nan 0.000 0.587 426 K N -0.881 119.533 120.400 0.022 0.000 2.211 426 K HA -0.103 4.216 4.320 -0.002 0.000 0.204 426 K C 0.365 176.977 176.600 0.019 0.000 1.047 426 K CA 1.727 58.024 56.287 0.017 0.000 0.935 426 K CB -0.603 31.903 32.500 0.011 0.000 0.728 426 K HN 0.536 nan 8.250 nan 0.000 0.452 427 N N 0.644 119.359 118.700 0.025 0.000 2.336 427 N HA 0.115 4.853 4.740 -0.002 0.000 0.189 427 N C 0.158 175.697 175.510 0.049 0.000 1.113 427 N CA 0.135 53.200 53.050 0.024 0.000 0.858 427 N CB 0.878 39.373 38.487 0.014 0.000 0.970 427 N HN 0.466 nan 8.380 nan 0.000 0.471 431 E N 2.368 122.568 120.200 -0.001 0.000 2.238 431 E HA 0.688 5.036 4.350 -0.002 0.000 0.267 431 E C 0.551 177.166 176.600 0.025 0.000 0.887 431 E CA -0.491 55.922 56.400 0.023 0.000 0.769 431 E CB 2.536 32.256 29.700 0.033 0.000 1.187 431 E HN 1.185 nan 8.360 nan 0.000 0.416 435 G N 3.627 112.482 108.800 0.091 0.000 2.241 435 G HA2 -0.177 3.781 3.960 -0.002 0.000 0.244 435 G HA3 -0.177 3.781 3.960 -0.002 0.000 0.244 435 G C -0.338 174.667 174.900 0.175 0.000 0.998 435 G CA 0.319 45.488 45.100 0.116 0.000 0.621 435 G HN 0.722 nan 8.290 nan 0.000 0.519 436 D N -0.505 120.010 120.400 0.191 0.000 2.339 436 D HA 0.438 5.077 4.640 -0.002 0.000 0.245 436 D C -0.232 176.251 176.300 0.304 0.000 1.115 436 D CA 0.053 54.213 54.000 0.266 0.000 0.917 436 D CB 0.850 41.795 40.800 0.242 0.000 1.192 436 D HN 0.227 nan 8.370 nan 0.000 0.428 437 W N 2.945 124.304 121.300 0.099 0.000 2.362 437 W HA 0.375 5.034 4.660 -0.003 0.000 0.316 437 W C -1.575 174.970 176.519 0.043 0.000 1.024 437 W CA -1.134 56.258 57.345 0.079 0.000 1.270 437 W CB 0.546 30.064 29.460 0.097 0.000 1.273 437 W HN -0.058 nan 8.180 nan 0.000 0.424 438 V N 9.363 129.533 119.914 0.426 0.000 2.304 438 V HA 0.017 4.136 4.120 -0.002 0.000 0.262 438 V C 0.715 176.965 176.094 0.261 0.000 1.061 438 V CA -0.179 62.234 62.300 0.189 0.000 0.872 438 V CB -0.059 31.849 31.823 0.140 0.000 1.077 438 V HN 0.572 nan 8.190 nan 0.000 0.480 439 F N 5.288 125.116 119.950 -0.202 0.000 2.092 439 F HA 0.075 4.601 4.527 -0.002 0.000 0.286 439 F C 1.894 177.607 175.800 -0.146 0.000 1.116 439 F CA 2.048 59.868 58.000 -0.299 0.000 1.185 439 F CB 0.184 38.654 39.000 -0.882 0.000 1.034 439 F HN 0.276 nan 8.300 nan 0.000 0.479 440 V N -1.298 118.417 119.914 -0.332 0.000 0.609 440 V HA -0.395 3.724 4.120 -0.002 0.000 0.092 440 V C -0.159 175.366 176.094 -0.949 0.000 1.683 440 V CA 1.939 63.948 62.300 -0.486 0.000 3.346 440 V CB -1.713 29.761 31.823 -0.582 0.000 0.626 440 V HN 0.652 nan 8.190 nan 0.000 0.642 441 D N -3.221 116.370 120.400 -1.348 0.000 2.710 441 D HA 0.336 4.974 4.640 -0.002 0.000 0.276 441 D C -1.971 173.890 176.300 -0.732 0.000 1.267 441 D CA -0.347 53.033 54.000 -1.033 0.000 0.772 441 D CB 0.709 41.256 40.800 -0.423 0.000 1.299 441 D HN 0.286 nan 8.370 nan 0.000 0.421 442 W N 1.683 122.954 121.300 -0.049 0.000 2.226 442 W HA 0.580 5.239 4.660 -0.001 0.000 0.379 442 W C 0.499 177.085 176.519 0.112 0.000 0.923 442 W CA -0.682 56.760 57.345 0.162 0.000 1.524 442 W CB 0.991 30.633 29.460 0.304 0.000 1.552 442 W HN 0.428 nan 8.180 nan 0.000 0.337 443 A N 2.539 125.534 122.820 0.293 0.000 2.842 443 A HA 0.165 4.484 4.320 -0.002 0.000 0.298 443 A C 0.718 178.474 177.584 0.286 0.000 1.293 443 A CA -0.235 51.958 52.037 0.260 0.000 0.959 443 A CB -0.272 18.860 19.000 0.220 0.000 1.119 443 A HN 0.613 nan 8.150 nan 0.000 0.564 444 D N -1.173 119.377 120.400 0.250 0.000 3.039 444 D HA -0.245 4.393 4.640 -0.002 0.000 0.222 444 D C 1.078 177.367 176.300 -0.019 0.000 1.179 444 D CA 2.106 56.186 54.000 0.134 0.000 0.880 444 D CB -1.442 39.457 40.800 0.164 0.000 1.115 444 D HN 1.512 nan 8.370 nan 0.000 0.416 445 G N -1.138 107.691 108.800 0.049 0.000 2.141 445 G HA2 -0.396 3.563 3.960 -0.002 0.000 0.231 445 G HA3 -0.396 3.563 3.960 -0.002 0.000 0.231 445 G C 0.557 175.386 174.900 -0.119 0.000 0.984 445 G CA 0.361 45.435 45.100 -0.044 0.000 0.660 445 G HN 0.425 nan 8.290 nan 0.000 0.525 446 Y N 0.118 120.440 120.300 0.036 0.000 2.523 446 Y HA 0.427 4.976 4.550 -0.002 0.000 0.279 446 Y C 1.795 177.668 175.900 -0.046 0.000 1.139 446 Y CA 0.292 58.391 58.100 -0.002 0.000 1.296 446 Y CB 0.358 38.812 38.460 -0.009 0.000 1.045 446 Y HN 0.278 nan 8.280 nan 0.000 0.538 447 L N 1.077 122.357 121.223 0.095 0.000 2.265 447 L HA 0.187 4.525 4.340 -0.002 0.000 0.288 447 L C -0.212 176.698 176.870 0.066 0.000 1.058 447 L CA -0.677 54.155 54.840 -0.014 0.000 0.809 447 L CB 0.567 42.633 42.059 0.013 0.000 1.179 447 L HN -0.037 nan 8.230 nan 0.000 0.429 448 D N 3.536 123.984 120.400 0.080 0.000 2.390 448 D HA 0.047 4.686 4.640 -0.002 0.000 0.249 448 D C 0.403 176.865 176.300 0.271 0.000 1.144 448 D CA 0.013 54.120 54.000 0.178 0.000 0.880 448 D CB 1.119 42.036 40.800 0.195 0.000 1.182 448 D HN 0.277 nan 8.370 nan 0.000 0.451 449 K N 2.615 123.120 120.400 0.175 0.000 2.358 449 K HA 0.137 4.456 4.320 -0.002 0.000 0.200 449 K C 0.276 176.945 176.600 0.115 0.000 1.030 449 K CA -0.049 56.328 56.287 0.151 0.000 1.097 449 K CB 0.384 32.972 32.500 0.147 0.000 0.862 449 K HN 0.386 nan 8.250 nan 0.000 0.534 450 K N 0.541 121.008 120.400 0.112 0.000 2.090 450 K HA 0.390 4.709 4.320 -0.002 0.000 0.250 450 K C 0.739 177.391 176.600 0.086 0.000 1.004 450 K CA 0.259 56.599 56.287 0.089 0.000 0.919 450 K CB 0.736 33.285 32.500 0.082 0.000 1.045 450 K HN 0.143 nan 8.250 nan 0.000 0.471 451 G N 1.280 110.125 108.800 0.074 0.000 2.562 451 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.250 451 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.250 451 G C -1.070 173.880 174.900 0.082 0.000 1.269 451 G CA -0.458 44.689 45.100 0.078 0.000 0.919 451 G HN 0.642 nan 8.290 nan 0.000 0.574 452 E N 0.169 120.442 120.200 0.121 0.000 2.035 452 E HA 0.501 4.850 4.350 -0.002 0.000 0.271 452 E C -0.363 176.330 176.600 0.154 0.000 0.953 452 E CA -0.646 55.855 56.400 0.168 0.000 0.777 452 E CB 1.179 31.039 29.700 0.266 0.000 1.104 452 E HN 0.361 nan 8.360 nan 0.000 0.408 453 L N 2.560 123.765 121.223 -0.030 0.000 2.367 453 L HA 0.003 4.342 4.340 -0.002 0.000 0.275 453 L C 1.624 178.208 176.870 -0.478 0.000 1.129 453 L CA 0.542 55.240 54.840 -0.237 0.000 0.839 453 L CB 1.173 43.099 42.059 -0.221 0.000 1.133 453 L HN 0.578 nan 8.230 nan 0.000 0.453 454 S N 3.243 118.422 115.700 -0.868 0.000 2.382 454 S HA -0.256 4.213 4.470 -0.002 0.000 0.228 454 S C 1.847 176.036 174.600 -0.685 0.000 1.027 454 S CA 1.014 58.321 58.200 -1.489 0.000 0.991 454 S CB -0.758 61.724 63.200 -1.198 0.000 0.823 454 S HN 0.587 nan 8.310 nan 0.000 0.469 455 F N 3.333 122.972 119.950 -0.518 0.000 2.095 455 F HA -0.053 4.474 4.527 -0.001 0.000 0.298 455 F C 2.391 177.991 175.800 -0.332 0.000 1.104 455 F CA 1.787 59.558 58.000 -0.382 0.000 1.232 455 F CB -0.507 38.307 39.000 -0.310 0.000 0.987 455 F HN 0.115 nan 8.300 nan 0.000 0.475 456 E N -0.008 119.929 120.200 -0.439 0.000 2.150 456 E HA -0.186 4.163 4.350 -0.002 0.000 0.193 456 E C 2.079 178.516 176.600 -0.272 0.000 0.985 456 E CA 1.045 57.224 56.400 -0.368 0.000 0.814 456 E CB -0.436 29.189 29.700 -0.124 0.000 0.752 456 E HN 0.559 nan 8.360 nan 0.000 0.466 457 Q N 0.370 120.032 119.800 -0.231 0.000 2.172 457 Q HA -0.030 4.309 4.340 -0.002 0.000 0.200 457 Q C 2.481 178.392 176.000 -0.149 0.000 0.964 457 Q CA 0.548 56.299 55.803 -0.087 0.000 0.855 457 Q CB -0.625 28.113 28.738 -0.001 0.000 0.918 457 Q HN 0.165 nan 8.270 nan 0.000 0.444 458 V N 1.351 121.133 119.914 -0.220 0.000 2.295 458 V HA -0.220 3.899 4.120 -0.002 0.000 0.246 458 V C 2.408 178.507 176.094 0.009 0.000 1.049 458 V CA 1.375 63.661 62.300 -0.024 0.000 1.024 458 V CB -0.591 31.196 31.823 -0.059 0.000 0.648 458 V HN 0.241 nan 8.190 nan 0.000 0.447 459 L N -1.266 119.781 121.223 -0.292 0.000 2.056 459 L HA -0.165 4.173 4.340 -0.002 0.000 0.207 459 L C 2.423 178.993 176.870 -0.501 0.000 1.078 459 L CA 1.620 56.289 54.840 -0.286 0.000 0.749 459 L CB -0.603 41.161 42.059 -0.491 0.000 0.901 459 L HN 0.379 nan 8.230 nan 0.000 0.433 460 F N 0.298 119.620 119.950 -1.046 0.000 2.102 460 F HA -0.284 4.241 4.527 -0.003 0.000 0.298 460 F C 2.639 178.083 175.800 -0.592 0.000 1.105 460 F CA 1.357 58.568 58.000 -1.315 0.000 1.239 460 F CB -1.011 37.425 39.000 -0.939 0.000 0.991 460 F HN 0.128 nan 8.300 nan 0.000 0.474 461 C N 0.934 119.954 119.300 -0.467 0.000 2.413 461 C HA -0.166 4.293 4.460 -0.002 0.000 0.276 461 C C 2.985 177.811 174.990 -0.274 0.000 1.248 461 C CA 1.570 60.326 59.018 -0.436 0.000 1.742 461 C CB -1.297 26.279 27.740 -0.273 0.000 2.017 461 C HN 0.550 nan 8.230 nan 0.000 0.481 462 R N 1.151 121.562 120.500 -0.148 0.000 2.115 462 R HA -0.030 4.309 4.340 -0.002 0.000 0.230 462 R C 2.291 178.453 176.300 -0.230 0.000 1.111 462 R CA 2.203 58.172 56.100 -0.218 0.000 0.976 462 R CB -0.609 29.411 30.300 -0.467 0.000 0.870 462 R HN 0.588 nan 8.270 nan 0.000 0.445 463 S N 0.347 115.909 115.700 -0.231 0.000 2.368 463 S HA -0.064 4.405 4.470 -0.002 0.000 0.225 463 S C 1.779 176.148 174.600 -0.385 0.000 1.030 463 S CA 1.283 59.359 58.200 -0.207 0.000 0.999 463 S CB -0.230 62.917 63.200 -0.089 0.000 0.844 463 S HN 0.268 nan 8.310 nan 0.000 0.459 464 L N 1.234 122.208 121.223 -0.415 0.000 2.093 464 L HA -0.083 4.256 4.340 -0.002 0.000 0.208 464 L C 2.530 179.224 176.870 -0.292 0.000 1.085 464 L CA 1.150 55.757 54.840 -0.388 0.000 0.755 464 L CB -0.523 41.283 42.059 -0.421 0.000 0.904 464 L HN 0.335 nan 8.230 nan 0.000 0.435 465 E N -0.672 119.372 120.200 -0.260 0.000 2.106 465 E HA -0.076 4.273 4.350 -0.002 0.000 0.192 465 E C 0.906 177.351 176.600 -0.259 0.000 0.984 465 E CA 0.700 56.975 56.400 -0.209 0.000 0.806 465 E CB -0.050 29.552 29.700 -0.164 0.000 0.750 465 E HN 0.405 nan 8.360 nan 0.000 0.458 469 L N 0.439 121.548 121.223 -0.189 0.000 2.141 469 L HA -0.190 4.148 4.340 -0.002 0.000 0.209 469 L C 2.409 179.174 176.870 -0.175 0.000 1.094 469 L CA 1.692 56.381 54.840 -0.253 0.000 0.763 469 L CB -0.397 41.294 42.059 -0.613 0.000 0.908 469 L HN 0.650 nan 8.230 nan 0.000 0.437 470 C N -0.779 118.446 119.300 -0.126 0.000 2.475 470 C HA 0.042 4.501 4.460 -0.002 0.000 0.279 470 C C 3.101 178.016 174.990 -0.125 0.000 1.322 470 C CA 0.388 59.372 59.018 -0.056 0.000 1.734 470 C CB -0.850 26.938 27.740 0.079 0.000 2.005 470 C HN 0.593 nan 8.230 nan 0.000 0.495 471 A N 0.897 123.709 122.820 -0.013 0.000 1.902 471 A HA -0.258 4.061 4.320 -0.002 0.000 0.217 471 A C 1.821 179.314 177.584 -0.152 0.000 1.181 471 A CA 2.421 54.409 52.037 -0.083 0.000 0.623 471 A CB -0.734 18.431 19.000 0.275 0.000 0.818 471 A HN 0.591 nan 8.150 nan 0.000 0.443 472 D N -0.720 119.631 120.400 -0.082 0.000 2.097 472 D HA -0.147 4.492 4.640 -0.002 0.000 0.195 472 D C 1.751 177.989 176.300 -0.104 0.000 0.989 472 D CA 1.292 55.248 54.000 -0.074 0.000 0.827 472 D CB -0.210 40.561 40.800 -0.048 0.000 0.966 472 D HN 0.218 nan 8.370 nan 0.000 0.456 473 L N 0.325 121.465 121.223 -0.139 0.000 2.046 473 L HA -0.079 4.260 4.340 -0.002 0.000 0.208 473 L C 2.299 179.065 176.870 -0.174 0.000 1.077 473 L CA 1.721 56.464 54.840 -0.163 0.000 0.747 473 L CB -0.548 41.348 42.059 -0.272 0.000 0.896 473 L HN 0.258 nan 8.230 nan 0.000 0.432 474 V N -3.219 116.535 119.914 -0.266 0.000 3.541 474 V HA 0.417 4.536 4.120 -0.002 0.000 0.267 474 V C 1.526 177.498 176.094 -0.203 0.000 1.213 474 V CA 0.564 62.698 62.300 -0.276 0.000 1.149 474 V CB -0.637 30.882 31.823 -0.507 0.000 0.822 474 V HN 0.615 nan 8.190 nan 0.000 0.462 475 G N 0.918 109.616 108.800 -0.171 0.000 2.141 475 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.231 475 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.231 475 G C -0.093 174.758 174.900 -0.082 0.000 0.984 475 G CA 0.259 45.300 45.100 -0.097 0.000 0.660 475 G HN 0.791 nan 8.290 nan 0.000 0.525 476 D N 0.552 120.878 120.400 -0.123 0.000 2.453 476 D HA 0.443 5.082 4.640 -0.002 0.000 0.223 476 D C 1.733 178.034 176.300 0.002 0.000 1.183 476 D CA -0.539 53.443 54.000 -0.030 0.000 0.933 476 D CB 0.436 41.250 40.800 0.024 0.000 1.038 476 D HN 0.110 nan 8.370 nan 0.000 0.513 477 K N 2.341 122.739 120.400 -0.004 0.000 2.103 477 K HA -0.070 4.249 4.320 -0.002 0.000 0.204 477 K C 1.049 177.642 176.600 -0.012 0.000 1.052 477 K CA 0.635 56.917 56.287 -0.007 0.000 0.945 477 K CB -0.010 32.483 32.500 -0.011 0.000 0.722 477 K HN 0.416 nan 8.250 nan 0.000 0.443 478 D N 0.694 121.088 120.400 -0.010 0.000 2.117 478 D HA -0.106 4.533 4.640 -0.002 0.000 0.197 478 D C 1.985 178.235 176.300 -0.084 0.000 0.987 478 D CA 1.566 55.545 54.000 -0.035 0.000 0.829 478 D CB -0.339 40.449 40.800 -0.020 0.000 0.961 478 D HN 0.359 nan 8.370 nan 0.000 0.460 479 G N 0.505 109.274 108.800 -0.052 0.000 2.404 479 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.215 479 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.215 479 G C 1.468 176.251 174.900 -0.195 0.000 1.174 479 G CA 0.725 45.723 45.100 -0.169 0.000 0.780 479 G HN 0.290 nan 8.290 nan 0.000 0.537 480 Q N -0.280 119.543 119.800 0.039 0.000 2.112 480 Q HA -0.239 4.099 4.340 -0.002 0.000 0.206 480 Q C 2.541 178.542 176.000 0.003 0.000 0.987 480 Q CA 1.981 57.837 55.803 0.087 0.000 0.858 480 Q CB -0.217 28.547 28.738 0.043 0.000 0.905 480 Q HN 0.693 nan 8.270 nan 0.000 0.420 481 Q N 0.288 120.057 119.800 -0.051 0.000 2.084 481 Q HA -0.216 4.123 4.340 -0.002 0.000 0.202 481 Q C 2.087 178.027 176.000 -0.100 0.000 0.978 481 Q CA 1.647 57.413 55.803 -0.062 0.000 0.844 481 Q CB -0.059 28.645 28.738 -0.058 0.000 0.898 481 Q HN 0.223 nan 8.270 nan 0.000 0.426 482 K N -0.589 119.695 120.400 -0.193 0.000 2.032 482 K HA -0.206 4.112 4.320 -0.002 0.000 0.209 482 K C 1.821 178.294 176.600 -0.211 0.000 1.048 482 K CA 1.660 57.794 56.287 -0.255 0.000 0.927 482 K CB -0.214 32.029 32.500 -0.427 0.000 0.712 482 K HN 0.249 nan 8.250 nan 0.000 0.441 483 Y N 1.441 121.716 120.300 -0.042 0.000 2.242 483 Y HA -0.098 4.452 4.550 -0.000 0.000 0.291 483 Y C 2.148 177.982 175.900 -0.109 0.000 1.137 483 Y CA 1.195 59.246 58.100 -0.082 0.000 1.181 483 Y CB -0.410 38.004 38.460 -0.077 0.000 0.989 483 Y HN 0.234 nan 8.280 nan 0.000 0.527 484 E N 0.212 120.439 120.200 0.046 0.000 2.077 484 E HA -0.210 4.139 4.350 -0.002 0.000 0.193 484 E C 2.195 178.766 176.600 -0.048 0.000 0.989 484 E CA 1.079 57.469 56.400 -0.017 0.000 0.800 484 E CB -0.128 29.560 29.700 -0.021 0.000 0.746 484 E HN 0.334 nan 8.360 nan 0.000 0.452 485 K N 1.187 121.557 120.400 -0.049 0.000 2.026 485 K HA -0.168 4.151 4.320 -0.002 0.000 0.208 485 K C 2.196 178.755 176.600 -0.069 0.000 1.048 485 K CA 1.069 57.322 56.287 -0.058 0.000 0.929 485 K CB -0.130 32.336 32.500 -0.056 0.000 0.713 485 K HN 0.096 nan 8.250 nan 0.000 0.439 486 L N 0.506 121.689 121.223 -0.066 0.000 2.046 486 L HA -0.164 4.175 4.340 -0.002 0.000 0.208 486 L C 2.667 179.437 176.870 -0.167 0.000 1.077 486 L CA 1.280 56.066 54.840 -0.090 0.000 0.747 486 L CB -0.476 41.549 42.059 -0.057 0.000 0.896 486 L HN 0.273 nan 8.230 nan 0.000 0.432 487 A N -1.023 121.695 122.820 -0.171 0.000 1.898 487 A HA -0.223 4.095 4.320 -0.002 0.000 0.216 487 A C 2.541 180.004 177.584 -0.202 0.000 1.181 487 A CA 1.959 53.855 52.037 -0.234 0.000 0.620 487 A CB -0.712 18.170 19.000 -0.195 0.000 0.819 487 A HN 0.362 nan 8.150 nan 0.000 0.442 488 S N -0.367 115.248 115.700 -0.143 0.000 2.368 488 S HA -0.036 4.433 4.470 -0.002 0.000 0.225 488 S C 2.154 176.683 174.600 -0.120 0.000 1.030 488 S CA 1.598 59.724 58.200 -0.124 0.000 0.999 488 S CB -0.458 62.690 63.200 -0.087 0.000 0.844 488 S HN 0.794 nan 8.310 nan 0.000 0.459 489 A N 1.293 124.048 122.820 -0.108 0.000 1.898 489 A HA 0.055 4.374 4.320 -0.002 0.000 0.216 489 A C 2.153 179.677 177.584 -0.100 0.000 1.181 489 A CA 1.571 53.555 52.037 -0.088 0.000 0.620 489 A CB -0.895 18.065 19.000 -0.067 0.000 0.819 489 A HN 0.571 nan 8.150 nan 0.000 0.442 490 L N 0.010 121.148 121.223 -0.141 0.000 2.046 490 L HA -0.105 4.233 4.340 -0.002 0.000 0.208 490 L C 2.241 179.018 176.870 -0.156 0.000 1.077 490 L CA 2.609 57.361 54.840 -0.147 0.000 0.747 490 L CB -0.631 41.276 42.059 -0.253 0.000 0.896 490 L HN 0.443 nan 8.230 nan 0.000 0.432 491 K N -0.584 119.684 120.400 -0.221 0.000 2.032 491 K HA -0.177 4.141 4.320 -0.002 0.000 0.209 491 K C 1.929 178.431 176.600 -0.163 0.000 1.048 491 K CA 1.472 57.594 56.287 -0.275 0.000 0.927 491 K CB -0.308 31.988 32.500 -0.341 0.000 0.712 491 K HN 0.461 nan 8.250 nan 0.000 0.441 492 A N 0.866 123.616 122.820 -0.117 0.000 2.125 492 A HA -0.125 4.194 4.320 -0.002 0.000 0.219 492 A C 1.546 179.108 177.584 -0.037 0.000 1.156 492 A CA 1.318 53.313 52.037 -0.069 0.000 0.671 492 A CB -0.183 18.780 19.000 -0.062 0.000 0.794 492 A HN 0.318 nan 8.150 nan 0.000 0.459 493 K N -0.553 119.824 120.400 -0.038 0.000 2.379 493 K HA 0.269 4.588 4.320 -0.002 0.000 0.194 493 K C 1.417 178.033 176.600 0.027 0.000 1.031 493 K CA 0.005 56.281 56.287 -0.018 0.000 1.037 493 K CB -0.066 32.417 32.500 -0.029 0.000 0.824 493 K HN 0.420 nan 8.250 nan 0.000 0.516 494 L N 1.265 122.526 121.223 0.064 0.000 1.970 494 L HA -0.244 4.095 4.340 -0.002 0.000 0.212 494 L C 2.183 179.270 176.870 0.361 0.000 1.071 494 L CA 1.695 56.646 54.840 0.186 0.000 0.751 494 L CB -0.386 41.707 42.059 0.056 0.000 0.889 494 L HN 0.249 nan 8.230 nan 0.000 0.432 495 E N -0.401 120.016 120.200 0.362 0.000 2.046 495 E HA -0.166 4.182 4.350 -0.002 0.000 0.190 495 E C -0.507 176.282 176.600 0.314 0.000 0.982 495 E CA 0.952 57.636 56.400 0.474 0.000 0.800 495 E CB -0.815 29.011 29.700 0.210 0.000 0.756 495 E HN 0.429 nan 8.360 nan 0.000 0.449 496 P HA -0.100 nan 4.420 nan 0.000 0.221 496 P C 0.949 178.260 177.300 0.018 0.000 1.145 496 P CA 1.357 64.502 63.100 0.074 0.000 0.795 496 P CB 0.139 31.851 31.700 0.021 0.000 0.775 497 T N -2.186 112.333 114.554 -0.058 0.000 3.004 497 T HA 0.108 4.457 4.350 -0.002 0.000 0.243 497 T C 1.004 175.466 174.700 -0.397 0.000 1.020 497 T CA 0.961 62.847 62.100 -0.356 0.000 1.145 497 T CB -0.434 67.982 68.868 -0.754 0.000 0.876 497 T HN -0.013 nan 8.240 nan 0.000 0.449 498 F N -0.516 119.568 119.950 0.224 0.000 2.678 498 F HA 0.356 4.882 4.527 -0.001 0.000 0.291 498 F C 0.780 176.887 175.800 0.511 0.000 1.123 498 F CA -1.424 56.756 58.000 0.300 0.000 1.395 498 F CB 0.133 39.225 39.000 0.154 0.000 1.121 498 F HN 0.200 nan 8.300 nan 0.000 0.592 499 W N 3.384 125.003 121.300 0.533 0.000 2.216 499 W HA 0.164 4.822 4.660 -0.003 0.000 0.326 499 W C -0.549 176.042 176.519 0.120 0.000 1.319 499 W CA 0.132 57.620 57.345 0.239 0.000 1.213 499 W CB 0.540 30.037 29.460 0.061 0.000 1.171 499 W HN -0.112 nan 8.180 nan 0.000 0.557 500 N N 4.725 122.991 118.700 -0.723 0.000 2.448 500 N HA 0.056 4.795 4.740 -0.002 0.000 0.279 500 N C 0.498 175.644 175.510 -0.608 0.000 1.025 500 N CA -0.230 52.558 53.050 -0.437 0.000 0.898 500 N CB 0.833 39.152 38.487 -0.279 0.000 1.303 500 N HN 0.441 nan 8.380 nan 0.000 0.495 501 N N 2.488 121.104 118.700 -0.140 0.000 2.120 501 N HA -0.156 4.583 4.740 -0.002 0.000 0.188 501 N C 0.983 176.469 175.510 -0.040 0.000 1.024 501 N CA 1.592 54.675 53.050 0.056 0.000 0.852 501 N CB 0.150 38.721 38.487 0.140 0.000 1.003 501 N HN 0.614 nan 8.380 nan 0.000 0.424 502 Q N 1.002 120.762 119.800 -0.066 0.000 2.050 502 Q HA 0.010 4.349 4.340 -0.002 0.000 0.202 502 Q C 1.576 177.516 176.000 -0.101 0.000 0.980 502 Q CA 1.355 57.122 55.803 -0.060 0.000 0.840 502 Q CB -0.101 28.610 28.738 -0.045 0.000 0.898 502 Q HN 0.349 nan 8.270 nan 0.000 0.424 503 K N 0.010 120.306 120.400 -0.173 0.000 2.426 503 K HA 0.044 4.363 4.320 -0.002 0.000 0.193 503 K C -0.204 176.227 176.600 -0.283 0.000 1.028 503 K CA 0.009 56.179 56.287 -0.195 0.000 1.047 503 K CB 0.485 32.872 32.500 -0.189 0.000 0.821 503 K HN 0.037 nan 8.250 nan 0.000 0.513 504 Q N -1.047 118.524 119.800 -0.382 0.000 2.451 504 Q HA -0.223 4.116 4.340 -0.002 0.000 0.305 504 Q C -0.729 174.811 176.000 -0.766 0.000 1.345 504 Q CA 1.130 56.685 55.803 -0.413 0.000 0.854 504 Q CB -1.713 26.986 28.738 -0.065 0.000 1.162 504 Q HN 0.481 nan 8.270 nan 0.000 0.440 505 A N -0.943 121.090 122.820 -1.312 0.000 2.511 505 A HA 0.746 5.065 4.320 -0.002 0.000 0.293 505 A C -1.445 175.668 177.584 -0.786 0.000 1.098 505 A CA -0.819 50.661 52.037 -0.928 0.000 0.643 505 A CB 0.714 19.510 19.000 -0.341 0.000 1.302 505 A HN 0.037 nan 8.150 nan 0.000 0.446 506 F N 1.204 121.062 119.950 -0.153 0.000 2.411 506 F HA 0.451 4.977 4.527 -0.002 0.000 0.350 506 F C 1.075 176.890 175.800 0.024 0.000 1.114 506 F CA -0.358 57.672 58.000 0.049 0.000 1.135 506 F CB 1.399 40.498 39.000 0.164 0.000 1.120 506 F HN 0.578 nan 8.300 nan 0.000 0.495 507 V N 1.452 121.538 119.914 0.287 0.000 3.237 507 V HA 0.067 4.186 4.120 -0.002 0.000 0.305 507 V C 1.416 177.651 176.094 0.234 0.000 1.096 507 V CA -0.278 62.148 62.300 0.211 0.000 1.130 507 V CB 0.593 32.535 31.823 0.198 0.000 1.048 507 V HN 0.879 nan 8.190 nan 0.000 0.484 508 H N 2.482 121.624 119.070 0.120 0.000 2.293 508 H HA 0.023 4.578 4.556 -0.002 0.000 0.300 508 H C 0.838 176.224 175.328 0.097 0.000 1.082 508 H CA 2.205 58.311 56.048 0.097 0.000 1.308 508 H CB 0.104 29.920 29.762 0.091 0.000 1.375 508 H HN 1.028 nan 8.280 nan 0.000 0.495 509 N N -1.604 117.168 118.700 0.120 0.000 3.116 509 N HA 0.163 4.902 4.740 -0.002 0.000 0.244 509 N C -1.816 173.852 175.510 0.263 0.000 1.485 509 N CA -0.525 52.603 53.050 0.131 0.000 0.884 509 N CB 0.762 39.250 38.487 0.001 0.000 1.415 509 N HN 0.144 nan 8.380 nan 0.000 0.524 510 C N 0.304 119.775 119.300 0.284 0.000 2.455 510 C HA 0.775 5.234 4.460 -0.002 0.000 0.320 510 C C -0.557 174.500 174.990 0.111 0.000 1.226 510 C CA -0.432 58.680 59.018 0.155 0.000 1.569 510 C CB 0.994 28.758 27.740 0.040 0.000 2.200 510 C HN 0.457 nan 8.230 nan 0.000 0.491 511 V N 3.707 123.667 119.914 0.077 0.000 2.443 511 V HA 0.408 4.527 4.120 -0.002 0.000 0.293 511 V C -0.427 175.691 176.094 0.039 0.000 1.021 511 V CA -0.269 62.068 62.300 0.062 0.000 0.848 511 V CB 1.509 33.373 31.823 0.067 0.000 0.998 511 V HN 1.024 nan 8.190 nan 0.000 0.424 512 D N 4.127 124.545 120.400 0.030 0.000 2.772 512 D HA -0.197 4.442 4.640 -0.002 0.000 0.233 512 D C 1.315 177.619 176.300 0.006 0.000 1.143 512 D CA 1.595 55.606 54.000 0.018 0.000 0.700 512 D CB -1.011 39.801 40.800 0.020 0.000 1.076 512 D HN 1.471 nan 8.370 nan 0.000 0.430 513 G N -0.595 108.202 108.800 -0.005 0.000 2.162 513 G HA2 -0.366 3.592 3.960 -0.002 0.000 0.260 513 G HA3 -0.366 3.592 3.960 -0.002 0.000 0.260 513 G C 0.199 175.087 174.900 -0.021 0.000 0.976 513 G CA 0.338 45.421 45.100 -0.029 0.000 0.655 513 G HN 0.337 nan 8.290 nan 0.000 0.533 514 R N 0.760 121.263 120.500 0.005 0.000 2.294 514 R HA 0.428 4.767 4.340 -0.002 0.000 0.319 514 R C 0.538 176.861 176.300 0.038 0.000 0.984 514 R CA -0.507 55.604 56.100 0.018 0.000 0.861 514 R CB 0.788 31.104 30.300 0.027 0.000 1.104 514 R HN 0.564 nan 8.270 nan 0.000 0.451 515 Q N 1.078 120.902 119.800 0.039 0.000 2.352 515 Q HA 0.132 4.471 4.340 -0.002 0.000 0.260 515 Q C 0.200 176.251 176.000 0.085 0.000 0.976 515 Q CA 0.038 55.886 55.803 0.076 0.000 0.881 515 Q CB 0.945 29.724 28.738 0.068 0.000 1.235 515 Q HN 0.659 nan 8.270 nan 0.000 0.419 516 S N 1.022 116.795 115.700 0.121 0.000 2.617 516 S HA 0.103 4.572 4.470 -0.002 0.000 0.269 516 S C 0.236 174.889 174.600 0.087 0.000 1.292 516 S CA -0.795 57.474 58.200 0.115 0.000 1.010 516 S CB 0.996 64.298 63.200 0.170 0.000 0.944 516 S HN 0.519 nan 8.310 nan 0.000 0.536 517 D N 1.168 121.606 120.400 0.063 0.000 2.183 517 D HA 0.078 4.717 4.640 -0.002 0.000 0.203 517 D C 1.040 177.362 176.300 0.036 0.000 0.969 517 D CA 1.057 55.079 54.000 0.037 0.000 0.842 517 D CB -0.570 40.245 40.800 0.024 0.000 0.957 517 D HN 0.787 nan 8.370 nan 0.000 0.484 518 A N 0.920 123.774 122.820 0.056 0.000 2.477 518 A HA 0.301 4.620 4.320 -0.002 0.000 0.246 518 A C -0.002 177.632 177.584 0.084 0.000 1.078 518 A CA -0.016 52.048 52.037 0.045 0.000 0.770 518 A CB 0.649 19.662 19.000 0.021 0.000 1.011 518 A HN -0.021 nan 8.150 nan 0.000 0.494 519 V N 3.344 123.281 119.914 0.039 0.000 2.443 519 V HA 0.507 4.626 4.120 -0.002 0.000 0.293 519 V C 0.362 176.475 176.094 0.031 0.000 1.021 519 V CA -0.044 62.289 62.300 0.054 0.000 0.848 519 V CB 1.701 33.519 31.823 -0.009 0.000 0.998 519 V HN 1.143 nan 8.190 nan 0.000 0.424 520 T N 1.560 116.176 114.554 0.103 0.000 2.945 520 T HA 0.475 4.824 4.350 -0.002 0.000 0.286 520 T C 0.993 175.670 174.700 -0.039 0.000 1.025 520 T CA -0.864 61.260 62.100 0.039 0.000 1.039 520 T CB 1.674 70.687 68.868 0.242 0.000 1.068 520 T HN 0.689 nan 8.240 nan 0.000 0.497 521 R N -0.228 120.110 120.500 -0.270 0.000 2.236 521 R HA 0.007 4.346 4.340 -0.002 0.000 0.208 521 R C 1.104 177.280 176.300 -0.206 0.000 1.036 521 R CA 0.599 56.545 56.100 -0.256 0.000 1.001 521 R CB -0.929 29.185 30.300 -0.310 0.000 0.896 521 R HN 0.668 nan 8.270 nan 0.000 0.464 522 Y N 2.364 122.627 120.300 -0.063 0.000 2.030 522 Y HA -0.240 4.308 4.550 -0.002 0.000 0.274 522 Y C 2.973 178.908 175.900 0.058 0.000 1.153 522 Y CA 1.618 59.624 58.100 -0.157 0.000 1.115 522 Y CB -0.879 37.202 38.460 -0.632 0.000 0.969 522 Y HN 0.162 nan 8.280 nan 0.000 0.488 523 A N 0.260 123.228 122.820 0.248 0.000 1.972 523 A HA -0.130 4.189 4.320 -0.002 0.000 0.219 523 A C 1.385 179.123 177.584 0.257 0.000 1.169 523 A CA 0.922 53.082 52.037 0.204 0.000 0.635 523 A CB -0.817 18.181 19.000 -0.003 0.000 0.810 523 A HN 0.410 nan 8.150 nan 0.000 0.446 527 S N 0.399 115.944 115.700 -0.260 0.000 2.442 527 S HA -0.100 4.369 4.470 -0.002 0.000 0.236 527 S C 1.940 176.496 174.600 -0.073 0.000 1.007 527 S CA 1.346 59.538 58.200 -0.014 0.000 0.965 527 S CB -0.184 63.250 63.200 0.391 0.000 0.773 527 S HN 0.170 nan 8.310 nan 0.000 0.504 528 V N 1.742 121.531 119.914 -0.207 0.000 2.255 528 V HA -0.125 3.993 4.120 -0.002 0.000 0.243 528 V C 1.882 177.950 176.094 -0.044 0.000 1.038 528 V CA 1.795 64.038 62.300 -0.096 0.000 1.008 528 V CB -0.780 31.004 31.823 -0.065 0.000 0.645 528 V HN 0.718 nan 8.190 nan 0.000 0.449 529 F N -2.496 117.453 119.950 -0.001 0.000 2.811 529 F HA 0.253 4.779 4.527 -0.002 0.000 0.301 529 F C 1.711 177.651 175.800 0.234 0.000 1.151 529 F CA 0.241 58.293 58.000 0.087 0.000 1.412 529 F CB -0.737 38.313 39.000 0.084 0.000 1.113 529 F HN 0.033 nan 8.300 nan 0.000 0.579 530 F N 1.087 120.954 119.950 -0.138 0.000 2.754 530 F HA 0.174 4.699 4.527 -0.002 0.000 0.297 530 F C 0.635 176.297 175.800 -0.231 0.000 1.122 530 F CA -0.344 57.494 58.000 -0.269 0.000 1.400 530 F CB -0.600 37.927 39.000 -0.789 0.000 1.117 530 F HN 0.033 nan 8.300 nan 0.000 0.587 531 D N -0.478 119.989 120.400 0.112 0.000 2.746 531 D HA -0.240 4.399 4.640 -0.002 0.000 0.236 531 D C 0.468 176.950 176.300 0.303 0.000 1.129 531 D CA 0.401 54.502 54.000 0.167 0.000 0.691 531 D CB -1.394 39.507 40.800 0.169 0.000 1.077 531 D HN 0.231 nan 8.370 nan 0.000 0.432 532 Y N -0.592 119.808 120.300 0.166 0.000 2.482 532 Y HA 0.294 4.843 4.550 -0.001 0.000 0.270 532 Y C 1.415 177.392 175.900 0.127 0.000 1.152 532 Y CA 0.325 58.516 58.100 0.151 0.000 1.292 532 Y CB 0.477 39.057 38.460 0.199 0.000 1.070 532 Y HN 0.146 nan 8.280 nan 0.000 0.528 533 L N 0.934 122.303 121.223 0.243 0.000 2.342 533 L HA 0.321 4.660 4.340 -0.002 0.000 0.271 533 L C -0.067 176.821 176.870 0.030 0.000 1.008 533 L CA -1.286 53.606 54.840 0.088 0.000 0.818 533 L CB 1.516 43.605 42.059 0.051 0.000 1.296 533 L HN 0.042 nan 8.230 nan 0.000 0.427 534 N N 1.264 119.938 118.700 -0.044 0.000 2.381 534 N HA 0.201 4.940 4.740 -0.002 0.000 0.254 534 N C 0.807 176.295 175.510 -0.036 0.000 1.264 534 N CA 0.060 53.087 53.050 -0.037 0.000 0.942 534 N CB 0.581 39.027 38.487 -0.068 0.000 1.190 534 N HN 0.668 nan 8.380 nan 0.000 0.495 535 A N 0.286 123.093 122.820 -0.022 0.000 1.927 535 A HA -0.284 4.035 4.320 -0.002 0.000 0.220 535 A C 1.419 178.988 177.584 -0.025 0.000 1.185 535 A CA 2.246 54.274 52.037 -0.015 0.000 0.639 535 A CB -1.202 17.790 19.000 -0.013 0.000 0.820 535 A HN 0.836 nan 8.150 nan 0.000 0.451 536 D N -0.740 119.634 120.400 -0.043 0.000 2.117 536 D HA -0.094 4.544 4.640 -0.002 0.000 0.197 536 D C 1.996 178.268 176.300 -0.045 0.000 0.987 536 D CA 1.510 55.484 54.000 -0.042 0.000 0.829 536 D CB -0.120 40.647 40.800 -0.054 0.000 0.961 536 D HN 0.488 nan 8.370 nan 0.000 0.460 537 K N 0.126 120.460 120.400 -0.109 0.000 2.217 537 K HA -0.032 4.287 4.320 -0.002 0.000 0.202 537 K C 2.115 178.711 176.600 -0.006 0.000 1.051 537 K CA 0.575 56.781 56.287 -0.134 0.000 0.952 537 K CB 0.056 32.265 32.500 -0.485 0.000 0.736 537 K HN 0.217 nan 8.250 nan 0.000 0.453 538 Q N 0.293 120.086 119.800 -0.012 0.000 2.124 538 Q HA -0.155 4.183 4.340 -0.002 0.000 0.202 538 Q C 2.063 178.081 176.000 0.029 0.000 0.977 538 Q CA 1.047 56.863 55.803 0.023 0.000 0.850 538 Q CB 0.123 28.872 28.738 0.019 0.000 0.901 538 Q HN 0.256 nan 8.270 nan 0.000 0.429 539 Q N -0.198 119.614 119.800 0.019 0.000 2.172 539 Q HA -0.058 4.281 4.340 -0.002 0.000 0.200 539 Q C 2.003 178.023 176.000 0.034 0.000 0.964 539 Q CA 1.235 57.049 55.803 0.018 0.000 0.855 539 Q CB -0.228 28.516 28.738 0.009 0.000 0.918 539 Q HN 0.351 nan 8.270 nan 0.000 0.444 540 A N 1.103 123.961 122.820 0.063 0.000 1.877 540 A HA -0.153 4.166 4.320 -0.002 0.000 0.216 540 A C 2.004 179.636 177.584 0.080 0.000 1.186 540 A CA 1.107 53.201 52.037 0.096 0.000 0.620 540 A CB -0.450 18.670 19.000 0.200 0.000 0.822 540 A HN 0.244 nan 8.150 nan 0.000 0.443 541 I N 0.270 120.900 120.570 0.101 0.000 2.286 541 I HA -0.217 3.952 4.170 -0.002 0.000 0.248 541 I C 2.319 178.448 176.117 0.019 0.000 1.115 541 I CA 1.755 63.091 61.300 0.060 0.000 1.392 541 I CB -1.142 36.909 38.000 0.085 0.000 1.065 541 I HN 0.464 nan 8.210 nan 0.000 0.418 542 K N 0.472 120.882 120.400 0.017 0.000 2.032 542 K HA -0.227 4.092 4.320 -0.002 0.000 0.209 542 K C 2.063 178.658 176.600 -0.009 0.000 1.048 542 K CA 1.463 57.749 56.287 -0.001 0.000 0.927 542 K CB 0.148 32.648 32.500 -0.001 0.000 0.712 542 K HN 0.269 nan 8.250 nan 0.000 0.441 543 Q N -0.040 119.758 119.800 -0.003 0.000 2.096 543 Q HA -0.058 4.281 4.340 -0.002 0.000 0.197 543 Q C 2.192 178.179 176.000 -0.021 0.000 0.964 543 Q CA 1.705 57.501 55.803 -0.010 0.000 0.838 543 Q CB -0.096 28.640 28.738 -0.003 0.000 0.906 543 Q HN 0.448 nan 8.270 nan 0.000 0.444 544 S N -0.929 114.758 115.700 -0.022 0.000 2.527 544 S HA 0.055 4.523 4.470 -0.002 0.000 0.222 544 S C 1.661 176.228 174.600 -0.055 0.000 0.985 544 S CA 0.624 58.798 58.200 -0.044 0.000 0.921 544 S CB 0.255 63.417 63.200 -0.063 0.000 0.772 544 S HN 0.079 nan 8.310 nan 0.000 0.529 545 V N 0.413 120.300 119.914 -0.045 0.000 3.442 545 V HA 0.266 4.384 4.120 -0.002 0.000 0.205 545 V C 2.147 178.205 176.094 -0.060 0.000 1.320 545 V CA 0.205 62.472 62.300 -0.055 0.000 1.306 545 V CB -0.718 31.080 31.823 -0.042 0.000 1.267 545 V HN 0.306 nan 8.190 nan 0.000 0.538 546 L N 0.346 121.541 121.223 -0.047 0.000 2.079 546 L HA -0.102 4.237 4.340 -0.002 0.000 0.210 546 L C 1.767 178.606 176.870 -0.052 0.000 1.081 546 L CA 1.735 56.544 54.840 -0.052 0.000 0.752 546 L CB -0.345 41.692 42.059 -0.037 0.000 0.896 546 L HN 0.323 nan 8.230 nan 0.000 0.433 547 L N -0.654 120.544 121.223 -0.042 0.000 2.965 547 L HA 0.195 4.534 4.340 -0.002 0.000 0.254 547 L C 0.197 177.044 176.870 -0.040 0.000 1.220 547 L CA -0.260 54.557 54.840 -0.038 0.000 1.023 547 L CB -0.090 41.953 42.059 -0.027 0.000 1.355 547 L HN 0.120 nan 8.230 nan 0.000 0.545 548 N N 0.689 119.359 118.700 -0.049 0.000 2.546 548 N HA 0.081 4.820 4.740 -0.002 0.000 0.238 548 N C 0.318 175.791 175.510 -0.061 0.000 0.984 548 N CA -0.214 52.806 53.050 -0.051 0.000 0.935 548 N CB 0.914 39.370 38.487 -0.053 0.000 1.122 548 N HN 0.011 nan 8.380 nan 0.000 0.510 549 D N 1.849 122.216 120.400 -0.055 0.000 2.392 549 D HA -0.107 4.531 4.640 -0.002 0.000 0.228 549 D C 0.667 176.926 176.300 -0.069 0.000 1.003 549 D CA 0.574 54.537 54.000 -0.062 0.000 0.917 549 D CB 0.522 41.292 40.800 -0.050 0.000 0.890 549 D HN 0.631 nan 8.370 nan 0.000 0.532 550 E N -0.079 120.081 120.200 -0.066 0.000 2.230 550 E HA -0.000 4.348 4.350 -0.002 0.000 0.192 550 E C 0.491 177.040 176.600 -0.086 0.000 0.987 550 E CA 0.230 56.589 56.400 -0.069 0.000 0.841 550 E CB 0.365 30.031 29.700 -0.058 0.000 0.783 550 E HN 0.068 nan 8.360 nan 0.000 0.481 551 I N 2.169 122.684 120.570 -0.091 0.000 2.416 551 I HA 0.055 4.224 4.170 -0.002 0.000 0.288 551 I C 0.267 176.304 176.117 -0.133 0.000 1.051 551 I CA -1.040 60.197 61.300 -0.106 0.000 1.375 551 I CB 0.192 38.130 38.000 -0.103 0.000 1.407 551 I HN 0.096 nan 8.210 nan 0.000 0.516 552 L N 8.253 129.385 121.223 -0.152 0.000 2.769 552 L HA -0.163 4.176 4.340 -0.002 0.000 0.293 552 L C 0.564 177.333 176.870 -0.169 0.000 1.224 552 L CA 0.994 55.727 54.840 -0.179 0.000 0.906 552 L CB -0.134 41.819 42.059 -0.176 0.000 1.193 552 L HN 0.451 nan 8.230 nan 0.000 0.488 553 K N 5.904 126.215 120.400 -0.148 0.000 2.102 553 K HA 0.422 4.741 4.320 -0.002 0.000 0.244 553 K C -0.249 176.281 176.600 -0.117 0.000 1.021 553 K CA -0.451 55.755 56.287 -0.135 0.000 0.913 553 K CB 0.673 33.109 32.500 -0.106 0.000 1.062 553 K HN 0.606 nan 8.250 nan 0.000 0.485 554 I N 0.921 121.412 120.570 -0.132 0.000 2.412 554 I HA 0.106 4.274 4.170 -0.002 0.000 0.296 554 I C 0.934 177.016 176.117 -0.058 0.000 0.987 554 I CA -0.288 60.958 61.300 -0.091 0.000 1.180 554 I CB 1.653 39.563 38.000 -0.150 0.000 1.340 554 I HN 0.657 nan 8.210 nan 0.000 0.455 555 T N -0.656 113.928 114.554 0.049 0.000 3.228 555 T HA 0.177 4.526 4.350 -0.002 0.000 0.278 555 T C 0.215 175.056 174.700 0.235 0.000 1.014 555 T CA -0.402 61.774 62.100 0.126 0.000 0.904 555 T CB -0.354 68.592 68.868 0.129 0.000 1.110 555 T HN 0.661 nan 8.240 nan 0.000 0.541 556 T N -1.354 113.306 114.554 0.176 0.000 2.876 556 T HA 0.558 4.907 4.350 -0.002 0.000 0.289 556 T C -2.555 172.205 174.700 0.100 0.000 1.014 556 T CA -1.948 60.288 62.100 0.227 0.000 0.986 556 T CB 2.303 71.296 68.868 0.208 0.000 1.021 556 T HN -0.314 nan 8.240 nan 0.000 0.458 557 P HA -0.043 nan 4.420 nan 0.000 0.218 557 P C 0.584 177.944 177.300 0.099 0.000 1.149 557 P CA 0.433 63.660 63.100 0.210 0.000 0.817 557 P CB -0.222 31.725 31.700 0.413 0.000 0.785 561 F N 1.517 121.384 119.950 -0.139 0.000 2.065 561 F HA -0.273 4.253 4.527 -0.002 0.000 0.298 561 F C 1.856 177.469 175.800 -0.311 0.000 1.112 561 F CA 1.921 59.758 58.000 -0.272 0.000 1.212 561 F CB -0.062 38.615 39.000 -0.539 0.000 0.975 561 F HN -0.053 nan 8.300 nan 0.000 0.476 562 Y N 0.373 120.812 120.300 0.232 0.000 2.286 562 Y HA -0.096 4.453 4.550 -0.001 0.000 0.293 562 Y C 2.497 178.423 175.900 0.043 0.000 1.124 562 Y CA 1.263 59.389 58.100 0.045 0.000 1.178 562 Y CB -1.121 37.294 38.460 -0.075 0.000 1.010 562 Y HN 0.251 nan 8.280 nan 0.000 0.536 563 E N 0.694 120.978 120.200 0.140 0.000 2.031 563 E HA -0.187 4.162 4.350 -0.002 0.000 0.193 563 E C 1.917 178.515 176.600 -0.003 0.000 0.994 563 E CA 1.427 57.849 56.400 0.036 0.000 0.800 563 E CB -0.311 29.359 29.700 -0.050 0.000 0.752 563 E HN 0.446 nan 8.360 nan 0.000 0.447 564 L N 0.628 121.828 121.223 -0.037 0.000 2.141 564 L HA -0.130 4.209 4.340 -0.002 0.000 0.209 564 L C 2.723 179.485 176.870 -0.180 0.000 1.094 564 L CA 1.328 56.115 54.840 -0.088 0.000 0.763 564 L CB -0.502 41.510 42.059 -0.079 0.000 0.908 564 L HN 0.304 nan 8.230 nan 0.000 0.437 565 E N 0.910 120.992 120.200 -0.197 0.000 2.072 565 E HA -0.226 4.123 4.350 -0.002 0.000 0.191 565 E C 2.254 178.691 176.600 -0.273 0.000 0.985 565 E CA 1.190 57.361 56.400 -0.382 0.000 0.801 565 E CB 0.028 29.554 29.700 -0.290 0.000 0.750 565 E HN 0.414 nan 8.360 nan 0.000 0.452 566 A N 1.211 124.060 122.820 0.048 0.000 1.877 566 A HA -0.162 4.157 4.320 -0.002 0.000 0.216 566 A C 2.237 179.794 177.584 -0.045 0.000 1.186 566 A CA 1.356 53.470 52.037 0.128 0.000 0.620 566 A CB -0.777 18.288 19.000 0.109 0.000 0.822 566 A HN 0.349 nan 8.150 nan 0.000 0.443 567 L N -0.853 120.318 121.223 -0.087 0.000 2.083 567 L HA -0.255 4.084 4.340 -0.002 0.000 0.209 567 L C 2.691 179.459 176.870 -0.169 0.000 1.083 567 L CA 1.273 56.051 54.840 -0.102 0.000 0.752 567 L CB -0.571 41.439 42.059 -0.082 0.000 0.899 567 L HN 0.508 nan 8.230 nan 0.000 0.433 568 C N -0.583 118.530 119.300 -0.311 0.000 2.440 568 C HA -0.093 4.365 4.460 -0.002 0.000 0.278 568 C C 3.095 177.874 174.990 -0.352 0.000 1.295 568 C CA 0.588 59.346 59.018 -0.434 0.000 1.738 568 C CB -1.021 26.216 27.740 -0.838 0.000 1.987 568 C HN 0.612 nan 8.230 nan 0.000 0.492 569 A N 0.145 122.769 122.820 -0.327 0.000 1.972 569 A HA -0.039 4.280 4.320 -0.002 0.000 0.219 569 A C 1.830 179.397 177.584 -0.028 0.000 1.169 569 A CA 1.255 53.244 52.037 -0.079 0.000 0.635 569 A CB -0.484 18.543 19.000 0.045 0.000 0.810 569 A HN 0.651 nan 8.150 nan 0.000 0.446 570 L N -0.793 120.397 121.223 -0.054 0.000 2.629 570 L HA 0.222 4.561 4.340 -0.002 0.000 0.230 570 L C 1.460 178.302 176.870 -0.046 0.000 1.151 570 L CA 0.350 55.171 54.840 -0.032 0.000 0.924 570 L CB -0.351 41.693 42.059 -0.026 0.000 1.137 570 L HN 0.548 nan 8.230 nan 0.000 0.457 571 G N 0.456 109.212 108.800 -0.072 0.000 2.198 571 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.260 571 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.260 571 G C 0.356 175.204 174.900 -0.087 0.000 1.025 571 G CA -0.022 45.029 45.100 -0.081 0.000 0.769 571 G HN 0.417 nan 8.290 nan 0.000 0.507 572 E N -0.206 119.938 120.200 -0.093 0.000 2.354 572 E HA 0.209 4.558 4.350 -0.002 0.000 0.252 572 E C 1.719 178.272 176.600 -0.078 0.000 1.330 572 E CA -0.203 56.156 56.400 -0.069 0.000 1.658 572 E CB 0.306 29.975 29.700 -0.051 0.000 1.460 572 E HN 0.588 nan 8.360 nan 0.000 0.435 573 Q N 0.383 120.102 119.800 -0.136 0.000 2.234 573 Q HA -0.168 4.171 4.340 -0.002 0.000 0.206 573 Q C 1.560 177.579 176.000 0.031 0.000 0.980 573 Q CA 1.272 56.973 55.803 -0.171 0.000 0.869 573 Q CB 0.114 28.547 28.738 -0.508 0.000 0.912 573 Q HN 0.422 nan 8.270 nan 0.000 0.436 574 E N -1.001 119.207 120.200 0.014 0.000 2.072 574 E HA -0.115 4.234 4.350 -0.002 0.000 0.190 574 E C 1.789 178.420 176.600 0.052 0.000 0.982 574 E CA 1.434 57.865 56.400 0.052 0.000 0.803 574 E CB 0.050 29.768 29.700 0.030 0.000 0.755 574 E HN 0.312 nan 8.360 nan 0.000 0.453 575 T N 1.277 115.848 114.554 0.028 0.000 2.821 575 T HA -0.055 4.294 4.350 -0.002 0.000 0.267 575 T C 1.242 175.964 174.700 0.037 0.000 1.046 575 T CA 0.348 62.462 62.100 0.023 0.000 1.139 575 T CB -0.015 68.854 68.868 0.002 0.000 0.871 575 T HN -0.102 nan 8.240 nan 0.000 0.454 582 A N 0.839 123.755 122.820 0.159 0.000 1.873 582 A HA -0.145 4.174 4.320 -0.002 0.000 0.215 582 A C 1.887 179.575 177.584 0.173 0.000 1.186 582 A CA 1.597 53.721 52.037 0.144 0.000 0.616 582 A CB -0.599 18.476 19.000 0.126 0.000 0.823 582 A HN 0.382 nan 8.150 nan 0.000 0.442 583 Y N -1.170 119.169 120.300 0.065 0.000 2.130 583 Y HA -0.163 4.386 4.550 -0.002 0.000 0.287 583 Y C 2.388 178.157 175.900 -0.218 0.000 1.124 583 Y CA 1.555 59.613 58.100 -0.069 0.000 1.118 583 Y CB -0.299 37.981 38.460 -0.299 0.000 0.994 583 Y HN 0.443 nan 8.280 nan 0.000 0.497 584 W N -0.288 120.971 121.300 -0.069 0.000 2.453 584 W HA -0.010 4.649 4.660 -0.002 0.000 0.289 584 W C 2.435 178.853 176.519 -0.168 0.000 1.215 584 W CA 1.255 58.412 57.345 -0.313 0.000 1.297 584 W CB -1.035 28.167 29.460 -0.429 0.000 1.113 584 W HN 0.279 nan 8.180 nan 0.000 0.551 585 G N 0.375 109.257 108.800 0.136 0.000 2.471 585 G HA2 -0.032 3.927 3.960 -0.002 0.000 0.219 585 G HA3 -0.032 3.927 3.960 -0.002 0.000 0.219 585 G C 1.010 175.900 174.900 -0.016 0.000 1.125 585 G CA 0.727 45.881 45.100 0.089 0.000 0.775 585 G HN 0.216 nan 8.290 nan 0.000 0.548 589 K N 1.531 121.913 120.400 -0.030 0.000 2.519 589 K HA 0.041 4.360 4.320 -0.002 0.000 0.196 589 K C 1.391 178.009 176.600 0.031 0.000 1.041 589 K CA 1.138 57.432 56.287 0.012 0.000 0.954 589 K CB 0.054 32.568 32.500 0.023 0.000 0.774 589 K HN 0.384 nan 8.250 nan 0.000 0.480 590 A N 0.072 122.893 122.820 0.001 0.000 2.348 590 A HA 0.305 4.624 4.320 -0.002 0.000 0.224 590 A C 1.182 178.870 177.584 0.173 0.000 1.227 590 A CA 0.507 52.599 52.037 0.092 0.000 0.885 590 A CB 0.222 19.255 19.000 0.054 0.000 0.933 590 A HN 0.324 nan 8.150 nan 0.000 0.506 591 G N -1.682 107.194 108.800 0.128 0.000 2.144 591 G HA2 0.156 4.115 3.960 -0.002 0.000 0.218 591 G HA3 0.156 4.115 3.960 -0.002 0.000 0.218 591 G C 0.336 175.357 174.900 0.202 0.000 0.988 591 G CA 0.072 45.269 45.100 0.161 0.000 0.659 591 G HN 1.513 nan 8.290 nan 0.000 0.522 592 A N 0.434 123.359 122.820 0.175 0.000 2.401 592 A HA 0.722 5.041 4.320 -0.002 0.000 0.259 592 A C 1.334 178.941 177.584 0.038 0.000 1.103 592 A CA 1.230 53.383 52.037 0.193 0.000 0.789 592 A CB 0.424 19.405 19.000 -0.032 0.000 1.035 592 A HN 1.471 nan 8.150 nan 0.000 0.491 593 T N -1.525 113.076 114.554 0.079 0.000 3.084 593 T HA 0.438 4.787 4.350 -0.002 0.000 0.270 593 T C 0.178 174.898 174.700 0.035 0.000 1.008 593 T CA 0.418 62.534 62.100 0.026 0.000 0.900 593 T CB -0.710 68.203 68.868 0.075 0.000 1.084 593 T HN 1.511 nan 8.240 nan 0.000 0.538 594 S N 0.274 115.956 115.700 -0.029 0.000 2.543 594 S HA 0.685 5.154 4.470 -0.002 0.000 0.274 594 S C -1.325 173.248 174.600 -0.046 0.000 1.149 594 S CA -1.033 57.139 58.200 -0.046 0.000 0.866 594 S CB 0.539 63.815 63.200 0.128 0.000 1.111 594 S HN 0.055 nan 8.310 nan 0.000 0.457 595 F N 2.160 122.229 119.950 0.199 0.000 2.399 595 F HA 0.550 5.076 4.527 -0.002 0.000 0.342 595 F C 0.682 176.690 175.800 0.346 0.000 1.106 595 F CA -0.588 57.483 58.000 0.118 0.000 1.196 595 F CB 0.408 39.532 39.000 0.207 0.000 1.163 595 F HN 0.597 nan 8.300 nan 0.000 0.547 596 W N 1.508 123.010 121.300 0.337 0.000 2.089 596 W HA 0.229 4.887 4.660 -0.002 0.000 0.362 596 W C 1.489 178.208 176.519 0.334 0.000 1.362 596 W CA -0.882 56.612 57.345 0.247 0.000 1.460 596 W CB -0.140 29.402 29.460 0.137 0.000 1.204 596 W HN 0.669 nan 8.180 nan 0.000 0.657 597 E N 0.124 120.583 120.200 0.431 0.000 2.158 597 E HA -0.097 4.252 4.350 -0.002 0.000 0.191 597 E C 0.116 177.091 176.600 0.625 0.000 0.982 597 E CA 1.083 57.623 56.400 0.233 0.000 0.823 597 E CB 0.271 29.659 29.700 -0.519 0.000 0.766 597 E HN 0.326 nan 8.360 nan 0.000 0.468 598 K N -0.873 119.816 120.400 0.482 0.000 2.562 598 K HA 0.220 4.539 4.320 -0.002 0.000 0.267 598 K C -2.285 174.634 176.600 0.532 0.000 0.938 598 K CA -0.864 55.696 56.287 0.454 0.000 0.840 598 K CB 1.547 34.219 32.500 0.286 0.000 1.390 598 K HN 0.003 nan 8.250 nan 0.000 0.428 599 Y N 2.891 123.358 120.300 0.279 0.000 2.323 599 Y HA 0.393 4.942 4.550 -0.002 0.000 0.322 599 Y C -1.931 174.069 175.900 0.166 0.000 1.133 599 Y CA -1.045 57.165 58.100 0.183 0.000 1.093 599 Y CB 1.529 39.852 38.460 -0.228 0.000 1.203 599 Y HN 0.671 nan 8.280 nan 0.000 0.427 600 N N 8.557 127.128 118.700 -0.214 0.000 2.564 600 N HA 0.370 5.109 4.740 -0.002 0.000 0.248 600 N C -2.286 172.948 175.510 -0.460 0.000 0.986 600 N CA -2.491 50.406 53.050 -0.255 0.000 0.921 600 N CB 2.058 40.523 38.487 -0.036 0.000 1.136 600 N HN 0.417 nan 8.380 nan 0.000 0.509 601 P HA -0.089 nan 4.420 nan 0.000 0.234 601 P C 0.374 177.620 177.300 -0.090 0.000 1.162 601 P CA 0.850 63.697 63.100 -0.422 0.000 0.759 601 P CB 0.652 32.184 31.700 -0.280 0.000 0.813 602 E N 0.268 120.421 120.200 -0.079 0.000 2.250 602 E HA 0.021 4.370 4.350 -0.002 0.000 0.192 602 E C 0.792 177.376 176.600 -0.026 0.000 0.986 602 E CA 0.433 56.814 56.400 -0.032 0.000 0.849 602 E CB 0.061 29.741 29.700 -0.034 0.000 0.797 602 E HN 0.537 nan 8.360 nan 0.000 0.482 603 E N 0.873 121.045 120.200 -0.046 0.000 2.369 603 E HA 0.262 4.611 4.350 -0.002 0.000 0.255 603 E C 0.044 176.512 176.600 -0.220 0.000 1.172 603 E CA -0.134 56.168 56.400 -0.163 0.000 0.932 603 E CB 0.935 30.480 29.700 -0.257 0.000 1.040 603 E HN -0.013 nan 8.360 nan 0.000 0.454 604 S N -0.854 114.641 115.700 -0.340 0.000 2.570 604 S HA 0.657 5.126 4.470 -0.002 0.000 0.270 604 S C 0.324 174.831 174.600 -0.155 0.000 1.149 604 S CA -0.492 57.616 58.200 -0.153 0.000 0.837 604 S CB 1.528 64.731 63.200 0.005 0.000 1.124 604 S HN 0.918 nan 8.310 nan 0.000 0.465 605 G N 2.000 110.837 108.800 0.062 0.000 2.596 605 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.295 605 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.295 605 G C 1.072 175.996 174.900 0.040 0.000 1.240 605 G CA 1.626 46.770 45.100 0.073 0.000 0.985 605 G HN 2.330 nan 8.290 nan 0.000 0.555 606 T N -1.417 113.139 114.554 0.003 0.000 2.996 606 T HA -0.080 4.269 4.350 -0.002 0.000 0.271 606 T C 2.101 176.761 174.700 -0.068 0.000 1.126 606 T CA 2.215 64.311 62.100 -0.007 0.000 1.103 606 T CB -0.235 68.626 68.868 -0.012 0.000 0.870 606 T HN 0.703 nan 8.240 nan 0.000 0.528 607 Q N -0.062 119.655 119.800 -0.137 0.000 2.226 607 Q HA -0.131 4.208 4.340 -0.002 0.000 0.204 607 Q C 2.038 177.949 176.000 -0.149 0.000 0.975 607 Q CA 1.286 56.980 55.803 -0.181 0.000 0.866 607 Q CB -0.242 28.352 28.738 -0.241 0.000 0.915 607 Q HN 0.731 nan 8.270 nan 0.000 0.440 608 H N -0.115 118.951 119.070 -0.005 0.000 2.545 608 H HA -0.011 4.543 4.556 -0.002 0.000 0.282 608 H C 1.713 176.908 175.328 -0.221 0.000 1.020 608 H CA 0.825 56.854 56.048 -0.032 0.000 1.243 608 H CB 0.223 30.004 29.762 0.031 0.000 1.377 608 H HN 0.258 nan 8.280 nan 0.000 0.581 609 L N -0.590 120.595 121.223 -0.063 0.000 2.477 609 L HA 0.253 4.592 4.340 -0.002 0.000 0.220 609 L C 1.473 178.295 176.870 -0.080 0.000 1.106 609 L CA -0.038 54.752 54.840 -0.083 0.000 0.851 609 L CB 0.104 42.198 42.059 0.058 0.000 0.994 609 L HN 0.047 nan 8.230 nan 0.000 0.462 613 G N 1.133 109.905 108.800 -0.046 0.000 2.155 613 G HA2 -0.292 3.666 3.960 -0.002 0.000 0.257 613 G HA3 -0.292 3.666 3.960 -0.002 0.000 0.257 613 G C 0.145 175.009 174.900 -0.060 0.000 0.983 613 G CA 0.223 45.291 45.100 -0.052 0.000 0.676 613 G HN 0.291 nan 8.290 nan 0.000 0.528 614 R N -0.202 120.265 120.500 -0.054 0.000 2.670 614 R HA 0.393 4.732 4.340 -0.002 0.000 0.289 614 R C -1.324 174.851 176.300 -0.209 0.000 0.965 614 R CA -1.558 54.491 56.100 -0.084 0.000 0.899 614 R CB 2.155 32.475 30.300 0.033 0.000 1.173 614 R HN 0.031 nan 8.270 nan 0.000 0.456 615 P HA -0.167 nan 4.420 nan 0.000 0.217 615 P C -0.094 176.721 177.300 -0.808 0.000 1.148 615 P CA 1.673 64.338 63.100 -0.724 0.000 0.828 615 P CB 0.208 31.263 31.700 -1.075 0.000 0.783 616 Y N -1.588 118.711 120.300 -0.002 0.000 2.698 616 Y HA 0.488 5.037 4.550 -0.002 0.000 0.261 616 Y C 2.124 178.041 175.900 0.028 0.000 1.104 616 Y CA -0.451 57.652 58.100 0.006 0.000 1.145 616 Y CB -0.329 38.155 38.460 0.041 0.000 1.191 616 Y HN -0.126 nan 8.280 nan 0.000 0.564 617 G N 0.250 109.098 108.800 0.081 0.000 2.484 617 G HA2 -0.157 3.801 3.960 -0.002 0.000 0.218 617 G HA3 -0.157 3.801 3.960 -0.002 0.000 0.218 617 G C 0.785 175.775 174.900 0.149 0.000 1.130 617 G CA -0.041 45.145 45.100 0.143 0.000 0.784 617 G HN 0.204 nan 8.290 nan 0.000 0.543 618 K N 1.259 121.682 120.400 0.038 0.000 2.326 618 K HA 0.259 4.577 4.320 -0.002 0.000 0.275 618 K C -0.091 176.505 176.600 -0.007 0.000 1.018 618 K CA -0.254 56.023 56.287 -0.017 0.000 0.962 618 K CB 0.537 32.979 32.500 -0.095 0.000 0.953 618 K HN 0.073 nan 8.250 nan 0.000 0.475 619 S N 4.387 120.077 115.700 -0.018 0.000 2.513 619 S HA 0.204 4.672 4.470 -0.002 0.000 0.276 619 S C 0.741 175.374 174.600 0.054 0.000 1.254 619 S CA -0.729 57.498 58.200 0.045 0.000 1.053 619 S CB 0.378 63.659 63.200 0.136 0.000 0.958 619 S HN 0.649 nan 8.310 nan 0.000 0.491 620 L N 3.951 125.209 121.223 0.058 0.000 2.653 620 L HA 0.346 4.685 4.340 -0.002 0.000 0.231 620 L C 0.374 177.458 176.870 0.357 0.000 1.153 620 L CA -0.231 54.651 54.840 0.071 0.000 0.933 620 L CB 0.488 42.474 42.059 -0.122 0.000 1.175 620 L HN 0.703 nan 8.230 nan 0.000 0.473 621 C N 0.040 119.517 119.300 0.296 0.000 3.362 621 C HA 0.393 4.852 4.460 -0.002 0.000 0.276 621 C C -0.499 174.655 174.990 0.272 0.000 1.102 621 C CA -0.469 58.708 59.018 0.265 0.000 1.361 621 C CB -0.669 27.155 27.740 0.140 0.000 1.822 621 C HN 0.324 nan 8.230 nan 0.000 0.538 622 H N 1.817 120.993 119.070 0.177 0.000 2.466 622 H HA 0.576 5.131 4.556 -0.002 0.000 0.338 622 H C 0.991 176.400 175.328 0.136 0.000 1.091 622 H CA 0.692 56.775 56.048 0.058 0.000 1.207 622 H CB 2.232 31.980 29.762 -0.024 0.000 1.466 622 H HN 0.644 nan 8.280 nan 0.000 0.493 623 A N 3.884 126.697 122.820 -0.013 0.000 1.927 623 A HA -0.240 4.079 4.320 -0.002 0.000 0.220 623 A C 1.524 179.267 177.584 0.266 0.000 1.185 623 A CA 1.947 54.038 52.037 0.089 0.000 0.639 623 A CB -0.882 18.115 19.000 -0.006 0.000 0.820 623 A HN 0.928 nan 8.150 nan 0.000 0.451 624 W N 0.459 121.847 121.300 0.146 0.000 3.096 624 W HA 0.375 5.034 4.660 -0.002 0.000 0.241 624 W C 1.178 177.902 176.519 0.341 0.000 1.316 624 W CA -0.503 56.964 57.345 0.203 0.000 1.520 624 W CB -1.440 28.136 29.460 0.192 0.000 1.128 624 W HN 0.138 nan 8.180 nan 0.000 0.707 625 G N 0.296 109.544 108.800 0.746 0.000 2.939 625 G HA2 0.227 4.186 3.960 -0.002 0.000 0.210 625 G HA3 0.227 4.186 3.960 -0.002 0.000 0.210 625 G C 1.209 176.475 174.900 0.611 0.000 1.160 625 G CA 0.251 45.771 45.100 0.699 0.000 0.770 625 G HN 0.364 nan 8.290 nan 0.000 0.543 626 A N 0.579 123.669 122.820 0.449 0.000 2.411 626 A HA 0.483 4.802 4.320 -0.002 0.000 0.251 626 A C 2.114 179.706 177.584 0.013 0.000 1.317 626 A CA 0.772 52.956 52.037 0.245 0.000 0.904 626 A CB -0.285 18.832 19.000 0.196 0.000 0.993 626 A HN 0.153 nan 8.150 nan 0.000 0.504 627 S N 1.732 117.487 115.700 0.091 0.000 2.393 627 S HA -0.195 4.274 4.470 -0.002 0.000 0.234 627 S C -0.379 173.962 174.600 -0.431 0.000 1.064 627 S CA 2.278 60.449 58.200 -0.049 0.000 1.088 627 S CB -1.340 61.905 63.200 0.074 0.000 0.939 627 S HN 0.538 nan 8.310 nan 0.000 0.448 628 P HA -0.114 nan 4.420 nan 0.000 0.217 628 P C 1.314 178.340 177.300 -0.457 0.000 1.148 628 P CA 0.893 63.565 63.100 -0.712 0.000 0.834 628 P CB -0.211 30.983 31.700 -0.842 0.000 0.783 629 I N -1.972 118.366 120.570 -0.387 0.000 2.194 629 I HA -0.270 3.899 4.170 -0.002 0.000 0.246 629 I C 2.266 178.274 176.117 -0.182 0.000 1.093 629 I CA 1.927 63.039 61.300 -0.313 0.000 1.355 629 I CB -1.468 36.331 38.000 -0.334 0.000 1.046 629 I HN 0.058 nan 8.210 nan 0.000 0.413 630 Y N 1.376 121.464 120.300 -0.354 0.000 2.206 630 Y HA -0.082 4.467 4.550 -0.002 0.000 0.292 630 Y C 2.501 178.059 175.900 -0.570 0.000 1.123 630 Y CA 1.301 59.126 58.100 -0.460 0.000 1.142 630 Y CB -0.360 37.857 38.460 -0.404 0.000 1.006 630 Y HN -0.038 nan 8.280 nan 0.000 0.518 631 L N -0.327 120.574 121.223 -0.537 0.000 2.012 631 L HA -0.258 4.080 4.340 -0.002 0.000 0.210 631 L C 2.420 179.095 176.870 -0.326 0.000 1.073 631 L CA 1.493 56.084 54.840 -0.415 0.000 0.748 631 L CB -0.713 41.125 42.059 -0.369 0.000 0.891 631 L HN 0.296 nan 8.230 nan 0.000 0.431 632 L N -0.718 120.208 121.223 -0.495 0.000 2.056 632 L HA -0.098 4.241 4.340 -0.002 0.000 0.207 632 L C 2.694 179.295 176.870 -0.448 0.000 1.078 632 L CA 1.338 55.812 54.840 -0.609 0.000 0.749 632 L CB -1.099 40.300 42.059 -1.099 0.000 0.901 632 L HN 0.294 nan 8.230 nan 0.000 0.433 633 G N -0.127 108.376 108.800 -0.494 0.000 2.421 633 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.216 633 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.216 633 G C 1.711 176.267 174.900 -0.573 0.000 1.171 633 G CA 0.875 45.719 45.100 -0.425 0.000 0.775 633 G HN 0.280 nan 8.290 nan 0.000 0.543 634 K N -1.217 118.555 120.400 -1.046 0.000 2.211 634 K HA 0.111 4.429 4.320 -0.002 0.000 0.201 634 K C 1.616 177.710 176.600 -0.843 0.000 1.052 634 K CA 0.451 56.170 56.287 -0.947 0.000 0.973 634 K CB 0.020 31.670 32.500 -1.416 0.000 0.766 634 K HN 0.403 nan 8.250 nan 0.000 0.466 635 Y N -1.818 118.293 120.300 -0.315 0.000 2.430 635 Y HA 0.151 4.700 4.550 -0.002 0.000 0.248 635 Y C 0.894 176.625 175.900 -0.282 0.000 1.108 635 Y CA -0.147 57.808 58.100 -0.241 0.000 1.264 635 Y CB 0.487 38.792 38.460 -0.257 0.000 1.172 635 Y HN 0.002 nan 8.280 nan 0.000 0.520 636 Y N -1.351 118.876 120.300 -0.122 0.000 2.447 636 Y HA 0.129 4.678 4.550 -0.002 0.000 0.286 636 Y C 1.930 177.810 175.900 -0.033 0.000 1.153 636 Y CA 0.305 58.362 58.100 -0.073 0.000 1.241 636 Y CB -0.480 37.911 38.460 -0.115 0.000 1.284 636 Y HN -0.150 nan 8.280 nan 0.000 0.520 637 L N -0.493 120.803 121.223 0.122 0.000 2.275 637 L HA 0.018 4.357 4.340 -0.002 0.000 0.215 637 L C 1.362 178.241 176.870 0.015 0.000 1.119 637 L CA 1.137 56.037 54.840 0.100 0.000 0.790 637 L CB -0.940 41.193 42.059 0.124 0.000 0.919 637 L HN 0.566 nan 8.230 nan 0.000 0.443 638 G N 0.875 109.648 108.800 -0.045 0.000 2.295 638 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.287 638 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.287 638 G C -0.074 174.804 174.900 -0.037 0.000 1.055 638 G CA 0.251 45.303 45.100 -0.078 0.000 0.922 638 G HN 0.159 nan 8.290 nan 0.000 0.503 639 V N 0.175 120.093 119.914 0.006 0.000 2.547 639 V HA 0.896 5.014 4.120 -0.002 0.000 0.299 639 V C 0.324 176.549 176.094 0.219 0.000 1.040 639 V CA 0.165 62.530 62.300 0.108 0.000 0.913 639 V CB 1.944 33.837 31.823 0.116 0.000 0.992 639 V HN 0.862 nan 8.190 nan 0.000 0.449 640 K N 4.036 124.560 120.400 0.208 0.000 2.598 640 K HA 0.536 4.854 4.320 -0.002 0.000 0.271 640 K C -3.396 173.138 176.600 -0.110 0.000 0.947 640 K CA -1.493 54.849 56.287 0.091 0.000 0.854 640 K CB 2.603 35.111 32.500 0.014 0.000 1.401 640 K HN 0.379 nan 8.250 nan 0.000 0.415 641 P HA 0.080 nan 4.420 nan 0.000 0.278 641 P C -0.001 177.048 177.300 -0.418 0.000 1.238 641 P CA -0.241 62.351 63.100 -0.847 0.000 0.794 641 P CB 1.456 32.176 31.700 -1.633 0.000 0.955 642 T N -1.476 112.933 114.554 -0.240 0.000 3.003 642 T HA 0.285 4.634 4.350 -0.002 0.000 0.261 642 T C 0.446 175.070 174.700 -0.126 0.000 1.003 642 T CA 0.039 62.062 62.100 -0.127 0.000 0.917 642 T CB 0.227 69.074 68.868 -0.034 0.000 1.084 642 T HN 0.309 nan 8.240 nan 0.000 0.522 643 K N 2.352 122.635 120.400 -0.195 0.000 2.525 643 K HA 0.265 4.583 4.320 -0.002 0.000 0.254 643 K C -0.684 175.741 176.600 -0.292 0.000 0.934 643 K CA -0.744 55.441 56.287 -0.170 0.000 0.802 643 K CB 2.365 34.805 32.500 -0.101 0.000 1.295 643 K HN 0.301 nan 8.250 nan 0.000 0.433 644 E N 1.300 121.284 120.200 -0.360 0.000 2.696 644 E HA -0.163 4.186 4.350 -0.002 0.000 0.270 644 E C 0.510 176.854 176.600 -0.428 0.000 0.958 644 E CA 1.508 57.545 56.400 -0.605 0.000 0.964 644 E CB 0.025 29.143 29.700 -0.970 0.000 0.948 644 E HN 0.780 nan 8.360 nan 0.000 0.472 645 G N 3.300 111.837 108.800 -0.437 0.000 2.233 645 G HA2 -0.375 3.584 3.960 -0.002 0.000 0.270 645 G HA3 -0.375 3.584 3.960 -0.002 0.000 0.270 645 G C 0.248 175.151 174.900 0.005 0.000 1.011 645 G CA 0.585 45.579 45.100 -0.176 0.000 0.762 645 G HN 0.699 nan 8.290 nan 0.000 0.511 646 Y N -2.399 117.791 120.300 -0.183 0.000 4.490 646 Y HA -0.257 4.292 4.550 -0.002 0.000 0.233 646 Y C 1.988 177.847 175.900 -0.069 0.000 1.101 646 Y CA 1.372 59.408 58.100 -0.105 0.000 2.010 646 Y CB -1.500 36.910 38.460 -0.084 0.000 1.622 646 Y HN 0.451 nan 8.280 nan 0.000 0.675 647 K N 0.940 121.329 120.400 -0.018 0.000 2.152 647 K HA -0.151 4.168 4.320 -0.002 0.000 0.206 647 K C 0.570 177.139 176.600 -0.052 0.000 1.048 647 K CA 1.936 58.207 56.287 -0.027 0.000 0.933 647 K CB 0.173 32.639 32.500 -0.057 0.000 0.721 647 K HN 0.628 nan 8.250 nan 0.000 0.447 648 E N -0.962 119.186 120.200 -0.087 0.000 2.331 648 E HA 0.260 4.609 4.350 -0.002 0.000 0.275 648 E C -1.240 175.273 176.600 -0.145 0.000 0.895 648 E CA -0.764 55.514 56.400 -0.204 0.000 0.753 648 E CB 1.007 30.622 29.700 -0.141 0.000 1.216 648 E HN -0.037 nan 8.360 nan 0.000 0.434 649 F N 1.395 121.301 119.950 -0.073 0.000 2.740 649 F HA 0.963 5.489 4.527 -0.002 0.000 0.357 649 F C -1.262 174.517 175.800 -0.035 0.000 1.141 649 F CA -1.222 56.761 58.000 -0.028 0.000 1.044 649 F CB 1.011 40.072 39.000 0.101 0.000 1.430 649 F HN 0.402 nan 8.300 nan 0.000 0.518 650 A N 0.618 123.722 122.820 0.473 0.000 2.459 650 A HA 0.706 5.024 4.320 -0.002 0.000 0.296 650 A C -2.116 175.636 177.584 0.281 0.000 1.039 650 A CA -0.683 51.553 52.037 0.332 0.000 0.698 650 A CB 1.392 20.497 19.000 0.175 0.000 1.261 650 A HN 0.871 nan 8.150 nan 0.000 0.405 651 V N 1.956 122.014 119.914 0.240 0.000 2.376 651 V HA 0.563 4.681 4.120 -0.002 0.000 0.287 651 V C -0.029 176.111 176.094 0.076 0.000 1.015 651 V CA -0.357 62.003 62.300 0.100 0.000 0.834 651 V CB 1.477 33.318 31.823 0.030 0.000 1.001 651 V HN 0.827 nan 8.190 nan 0.000 0.428 652 S N 6.352 122.072 115.700 0.034 0.000 2.112 652 S HA 0.338 4.806 4.470 -0.002 0.000 0.151 652 S C -2.431 172.151 174.600 -0.030 0.000 1.723 652 S CA -0.832 57.374 58.200 0.010 0.000 1.263 652 S CB 0.903 64.116 63.200 0.021 0.000 1.194 652 S HN 0.667 nan 8.310 nan 0.000 0.419 653 P HA 0.236 nan 4.420 nan 0.000 0.268 653 P C -0.792 176.456 177.300 -0.087 0.000 1.204 653 P CA -0.116 62.952 63.100 -0.054 0.000 0.768 653 P CB 0.962 32.633 31.700 -0.048 0.000 0.842 654 V N 4.592 124.447 119.914 -0.099 0.000 2.668 654 V HA 0.136 4.255 4.120 -0.002 0.000 0.304 654 V C 1.466 177.508 176.094 -0.087 0.000 1.071 654 V CA -0.476 61.743 62.300 -0.136 0.000 0.894 654 V CB 1.757 33.435 31.823 -0.240 0.000 1.008 654 V HN 0.450 nan 8.190 nan 0.000 0.425 655 L N 3.084 124.303 121.223 -0.008 0.000 2.131 655 L HA 0.218 4.557 4.340 -0.002 0.000 0.206 655 L C 1.876 178.832 176.870 0.143 0.000 1.087 655 L CA 1.308 56.200 54.840 0.085 0.000 0.767 655 L CB -0.230 41.870 42.059 0.069 0.000 0.917 655 L HN 1.096 nan 8.230 nan 0.000 0.441 656 G N 0.079 108.908 108.800 0.049 0.000 2.366 656 G HA2 -0.144 3.814 3.960 -0.002 0.000 0.299 656 G HA3 -0.144 3.814 3.960 -0.002 0.000 0.299 656 G C 0.939 175.916 174.900 0.128 0.000 1.020 656 G CA 0.522 45.673 45.100 0.086 0.000 1.026 656 G HN 0.732 nan 8.290 nan 0.000 0.512 657 G N -1.733 107.117 108.800 0.083 0.000 2.279 657 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.223 657 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.223 657 G C 0.637 175.568 174.900 0.052 0.000 1.015 657 G CA 0.197 45.337 45.100 0.066 0.000 0.621 657 G HN 1.265 nan 8.290 nan 0.000 0.506 658 L N 0.310 121.566 121.223 0.054 0.000 2.467 658 L HA 0.424 4.763 4.340 -0.002 0.000 0.270 658 L C 1.747 178.623 176.870 0.011 0.000 1.205 658 L CA -0.156 54.681 54.840 -0.005 0.000 0.828 658 L CB 0.726 42.766 42.059 -0.032 0.000 1.101 658 L HN 0.036 nan 8.230 nan 0.000 0.479 659 K N 1.593 121.992 120.400 -0.002 0.000 2.128 659 K HA 0.071 4.390 4.320 -0.002 0.000 0.202 659 K C -0.207 176.509 176.600 0.194 0.000 1.050 659 K CA 0.810 57.169 56.287 0.119 0.000 0.966 659 K CB 0.263 32.898 32.500 0.224 0.000 0.759 659 K HN 0.626 nan 8.250 nan 0.000 0.454 663 G N 0.904 109.716 108.800 0.020 0.000 2.550 663 G HA2 0.601 4.559 3.960 -0.002 0.000 0.293 663 G HA3 0.601 4.559 3.960 -0.002 0.000 0.293 663 G C -1.385 173.573 174.900 0.097 0.000 1.402 663 G CA -0.374 44.750 45.100 0.040 0.000 0.784 663 G HN 0.348 nan 8.290 nan 0.000 0.482 664 T N -0.343 114.266 114.554 0.092 0.000 2.893 664 T HA 0.625 4.974 4.350 -0.002 0.000 0.293 664 T C -1.004 173.710 174.700 0.024 0.000 1.027 664 T CA -0.410 61.710 62.100 0.033 0.000 0.988 664 T CB 1.982 70.912 68.868 0.102 0.000 1.043 664 T HN 0.572 nan 8.240 nan 0.000 0.461 665 V N 5.481 125.329 119.914 -0.110 0.000 2.443 665 V HA 0.439 4.558 4.120 -0.002 0.000 0.293 665 V C -2.172 173.737 176.094 -0.308 0.000 1.021 665 V CA -2.015 60.231 62.300 -0.090 0.000 0.848 665 V CB 1.814 33.617 31.823 -0.033 0.000 0.998 665 V HN 0.700 nan 8.190 nan 0.000 0.424 666 P HA 0.325 nan 4.420 nan 0.000 0.274 666 P C -0.427 176.301 177.300 -0.953 0.000 1.237 666 P CA 0.143 62.947 63.100 -0.494 0.000 0.793 666 P CB 1.368 32.891 31.700 -0.295 0.000 0.977 667 T N -2.989 110.930 114.554 -1.058 0.000 2.865 667 T HA 0.446 4.795 4.350 -0.002 0.000 0.294 667 T C -2.312 171.881 174.700 -0.846 0.000 1.119 667 T CA -2.162 59.279 62.100 -1.098 0.000 1.007 667 T CB 1.084 69.440 68.868 -0.854 0.000 1.225 667 T HN -0.006 nan 8.240 nan 0.000 0.515 668 P HA -0.113 nan 4.420 nan 0.000 0.216 668 P C 0.145 177.425 177.300 -0.032 0.000 1.167 668 P CA 1.655 64.781 63.100 0.043 0.000 0.914 668 P CB -0.175 31.607 31.700 0.138 0.000 0.793 669 N N -1.817 116.838 118.700 -0.075 0.000 2.610 669 N HA 0.488 5.226 4.740 -0.002 0.000 0.307 669 N C 0.024 175.478 175.510 -0.094 0.000 1.813 669 N CA -0.164 52.854 53.050 -0.052 0.000 0.901 669 N CB 1.246 39.727 38.487 -0.009 0.000 1.354 669 N HN 0.140 nan 8.380 nan 0.000 0.491 670 G N -0.396 108.297 108.800 -0.178 0.000 2.427 670 G HA2 0.379 4.338 3.960 -0.002 0.000 0.306 670 G HA3 0.379 4.338 3.960 -0.002 0.000 0.306 670 G C -2.251 172.466 174.900 -0.304 0.000 1.280 670 G CA -0.594 44.391 45.100 -0.192 0.000 0.837 670 G HN 0.057 nan 8.290 nan 0.000 0.482 671 D N -0.813 119.383 120.400 -0.340 0.000 2.609 671 D HA 0.436 5.075 4.640 -0.002 0.000 0.239 671 D C -1.208 174.723 176.300 -0.615 0.000 1.229 671 D CA -0.309 53.395 54.000 -0.494 0.000 0.808 671 D CB 2.720 43.242 40.800 -0.464 0.000 1.448 671 D HN 0.346 nan 8.370 nan 0.000 0.433 672 I N 1.798 121.962 120.570 -0.677 0.000 2.448 672 I HA 0.120 4.288 4.170 -0.002 0.000 0.281 672 I C -0.565 175.249 176.117 -0.506 0.000 1.027 672 I CA -0.581 60.367 61.300 -0.586 0.000 1.111 672 I CB 1.241 38.897 38.000 -0.575 0.000 1.236 672 I HN 0.132 nan 8.210 nan 0.000 0.452 673 H N 5.771 124.764 119.070 -0.129 0.000 2.527 673 H HA 0.526 5.081 4.556 -0.002 0.000 0.321 673 H C -0.566 174.742 175.328 -0.033 0.000 1.087 673 H CA -0.524 55.489 56.048 -0.057 0.000 1.337 673 H CB 2.217 31.955 29.762 -0.040 0.000 1.440 673 H HN 0.183 nan 8.280 nan 0.000 0.490 674 V N 4.438 124.417 119.914 0.109 0.000 2.709 674 V HA 0.202 4.321 4.120 -0.002 0.000 0.308 674 V C -0.848 175.339 176.094 0.154 0.000 1.062 674 V CA -0.850 61.506 62.300 0.093 0.000 0.901 674 V CB 1.900 33.746 31.823 0.038 0.000 1.003 674 V HN 0.703 nan 8.190 nan 0.000 0.425 678 N N -0.394 118.349 118.700 0.071 0.000 2.609 678 N HA -0.054 4.685 4.740 -0.002 0.000 0.190 678 N C 0.684 176.033 175.510 -0.268 0.000 1.157 678 N CA 1.168 54.214 53.050 -0.006 0.000 0.918 678 N CB 0.092 38.575 38.487 -0.007 0.000 0.978 678 N HN 0.581 nan 8.380 nan 0.000 0.448 679 K N -2.204 118.058 120.400 -0.231 0.000 2.608 679 K HA 0.154 4.473 4.320 -0.002 0.000 0.214 679 K C -0.326 176.198 176.600 -0.126 0.000 1.469 679 K CA -0.179 55.855 56.287 -0.421 0.000 1.012 679 K CB 0.635 33.004 32.500 -0.219 0.000 1.211 679 K HN -0.234 nan 8.250 nan 0.000 0.627 680 T N 1.601 116.241 114.554 0.143 0.000 2.909 680 T HA 0.587 4.936 4.350 -0.002 0.000 0.299 680 T C -1.011 173.855 174.700 0.276 0.000 1.073 680 T CA -0.578 61.671 62.100 0.249 0.000 0.999 680 T CB 1.977 70.985 68.868 0.233 0.000 1.098 680 T HN 0.130 nan 8.240 nan 0.000 0.477 681 I N 2.223 122.935 120.570 0.237 0.000 2.533 681 I HA 0.456 4.625 4.170 -0.002 0.000 0.290 681 I C -0.546 175.674 176.117 0.171 0.000 1.056 681 I CA -0.878 60.507 61.300 0.141 0.000 1.057 681 I CB 2.094 40.121 38.000 0.044 0.000 1.240 681 I HN 0.294 nan 8.210 nan 0.000 0.423 682 K N 5.546 126.072 120.400 0.210 0.000 2.378 682 K HA 0.800 5.119 4.320 -0.002 0.000 0.252 682 K C -1.449 175.226 176.600 0.125 0.000 0.931 682 K CA -0.835 55.557 56.287 0.176 0.000 0.794 682 K CB 3.281 35.908 32.500 0.211 0.000 1.181 682 K HN 0.244 nan 8.250 nan 0.000 0.425 683 V N 2.529 122.489 119.914 0.076 0.000 2.686 683 V HA 0.350 4.468 4.120 -0.002 0.000 0.306 683 V C -0.898 175.209 176.094 0.023 0.000 1.065 683 V CA -0.855 61.466 62.300 0.035 0.000 0.894 683 V CB 2.052 33.877 31.823 0.002 0.000 1.004 683 V HN 0.681 nan 8.190 nan 0.000 0.424 684 K N 3.390 123.804 120.400 0.024 0.000 2.616 684 K HA 0.761 5.079 4.320 -0.002 0.000 0.241 684 K C -0.678 175.900 176.600 -0.037 0.000 0.961 684 K CA -0.395 55.915 56.287 0.039 0.000 0.942 684 K CB 1.514 34.084 32.500 0.116 0.000 1.153 684 K HN 0.857 nan 8.250 nan 0.000 0.452 685 A N 2.855 125.610 122.820 -0.109 0.000 2.280 685 A HA 0.212 4.531 4.320 -0.002 0.000 0.320 685 A C 0.790 178.322 177.584 -0.088 0.000 1.366 685 A CA -0.557 51.347 52.037 -0.221 0.000 0.938 685 A CB 0.377 19.150 19.000 -0.378 0.000 1.157 685 A HN 0.796 nan 8.150 nan 0.000 0.536 686 T N -0.770 113.721 114.554 -0.105 0.000 3.148 686 T HA 0.171 4.520 4.350 -0.002 0.000 0.253 686 T C 0.282 174.953 174.700 -0.049 0.000 1.134 686 T CA 0.766 62.836 62.100 -0.050 0.000 1.051 686 T CB -0.345 68.503 68.868 -0.034 0.000 0.959 686 T HN 0.743 nan 8.240 nan 0.000 0.525 687 E N -0.373 119.796 120.200 -0.050 0.000 2.335 687 E HA 0.498 4.847 4.350 -0.002 0.000 0.280 687 E C 0.141 176.807 176.600 0.109 0.000 0.918 687 E CA -0.241 56.155 56.400 -0.007 0.000 0.765 687 E CB 1.177 30.837 29.700 -0.067 0.000 1.218 687 E HN 0.388 nan 8.360 nan 0.000 0.425 688 G N 2.767 111.619 108.800 0.087 0.000 2.796 688 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.226 688 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.226 688 G C -0.899 173.976 174.900 -0.042 0.000 1.381 688 G CA 0.074 45.213 45.100 0.064 0.000 0.867 688 G HN 0.598 nan 8.290 nan 0.000 0.552 689 K N -0.684 119.431 120.400 -0.476 0.000 2.439 689 K HA 0.847 5.165 4.320 -0.002 0.000 0.260 689 K C 0.251 175.681 176.600 -1.950 0.000 1.032 689 K CA -0.392 55.310 56.287 -0.976 0.000 0.882 689 K CB 2.176 34.293 32.500 -0.638 0.000 1.420 689 K HN 1.918 nan 8.250 nan 0.000 0.455 690 G N -0.130 107.316 108.800 -2.256 0.000 2.315 690 G HA2 0.247 4.205 3.960 -0.002 0.000 0.294 690 G HA3 0.247 4.205 3.960 -0.002 0.000 0.294 690 G C -2.303 171.947 174.900 -1.084 0.000 1.300 690 G CA -0.783 43.253 45.100 -1.773 0.000 0.843 690 G HN 0.279 nan 8.290 nan 0.000 0.527 691 Y N -0.505 119.663 120.300 -0.221 0.000 2.360 691 Y HA 0.659 5.207 4.550 -0.002 0.000 0.337 691 Y C 0.220 176.189 175.900 0.115 0.000 1.039 691 Y CA -0.878 57.256 58.100 0.056 0.000 1.109 691 Y CB 2.005 40.569 38.460 0.175 0.000 1.201 691 Y HN 0.514 nan 8.280 nan 0.000 0.458 692 L N 3.651 125.059 121.223 0.309 0.000 2.265 692 L HA 0.559 4.897 4.340 -0.002 0.000 0.289 692 L C -0.390 176.581 176.870 0.169 0.000 1.033 692 L CA -0.159 54.799 54.840 0.197 0.000 0.814 692 L CB 0.788 42.934 42.059 0.145 0.000 1.203 692 L HN 0.570 nan 8.230 nan 0.000 0.423 693 T N 6.740 121.362 114.554 0.113 0.000 2.767 693 T HA 0.635 4.984 4.350 -0.002 0.000 0.284 693 T C -0.237 174.483 174.700 0.033 0.000 0.973 693 T CA 0.032 62.177 62.100 0.074 0.000 0.996 693 T CB 0.556 69.452 68.868 0.046 0.000 0.927 693 T HN 0.407 nan 8.240 nan 0.000 0.456 694 I N 3.073 123.682 120.570 0.064 0.000 2.433 694 I HA 0.295 4.463 4.170 -0.002 0.000 0.292 694 I C 0.256 176.423 176.117 0.082 0.000 1.001 694 I CA -0.508 60.789 61.300 -0.005 0.000 1.119 694 I CB 1.807 39.805 38.000 -0.003 0.000 1.289 694 I HN 0.461 nan 8.210 nan 0.000 0.438 695 Q N 4.098 123.890 119.800 -0.013 0.000 2.331 695 Q HA 0.638 4.977 4.340 -0.002 0.000 0.257 695 Q C -0.603 175.506 176.000 0.181 0.000 0.957 695 Q CA -0.283 55.575 55.803 0.093 0.000 0.923 695 Q CB 1.648 30.405 28.738 0.032 0.000 1.212 695 Q HN 0.675 nan 8.270 nan 0.000 0.443 696 S N 1.259 117.178 115.700 0.365 0.000 2.579 696 S HA 0.350 4.819 4.470 -0.002 0.000 0.272 696 S C 0.167 175.017 174.600 0.416 0.000 1.141 696 S CA -0.650 57.762 58.200 0.353 0.000 0.843 696 S CB 1.719 65.034 63.200 0.191 0.000 1.122 696 S HN 0.781 nan 8.310 nan 0.000 0.468 697 R N 1.090 121.735 120.500 0.242 0.000 2.055 697 R HA 0.092 4.431 4.340 -0.002 0.000 0.228 697 R C 0.726 177.188 176.300 0.270 0.000 1.143 697 R CA 1.030 57.264 56.100 0.224 0.000 0.945 697 R CB -0.071 30.299 30.300 0.117 0.000 0.841 697 R HN 0.725 nan 8.270 nan 0.000 0.429 698 R N 0.246 120.771 120.500 0.041 0.000 2.856 698 R HA 0.236 4.575 4.340 -0.002 0.000 0.258 698 R C -0.845 175.021 176.300 -0.723 0.000 1.066 698 R CA -0.822 55.217 56.100 -0.102 0.000 1.045 698 R CB 0.506 30.772 30.300 -0.056 0.000 1.178 698 R HN 0.015 nan 8.270 nan 0.000 0.499 699 Q N 1.297 120.596 119.800 -0.835 0.000 2.283 699 Q HA 0.078 4.417 4.340 -0.002 0.000 0.301 699 Q C -1.985 173.567 176.000 -0.747 0.000 1.063 699 Q CA -0.993 54.059 55.803 -1.253 0.000 0.952 699 Q CB 0.507 28.936 28.738 -0.514 0.000 1.166 699 Q HN 0.368 nan 8.270 nan 0.000 0.381 700 P HA 0.183 nan 4.420 nan 0.000 0.276 700 P C -1.398 175.792 177.300 -0.183 0.000 1.261 700 P CA -0.285 62.637 63.100 -0.296 0.000 0.800 700 P CB 0.736 32.334 31.700 -0.171 0.000 1.066 701 K N 0.589 120.943 120.400 -0.077 0.000 2.207 701 K HA 0.785 5.104 4.320 -0.002 0.000 0.255 701 K C -0.873 175.729 176.600 0.004 0.000 0.941 701 K CA -0.782 55.482 56.287 -0.038 0.000 0.825 701 K CB 2.078 34.561 32.500 -0.029 0.000 1.119 701 K HN 0.415 nan 8.250 nan 0.000 0.430 702 A N 2.153 124.984 122.820 0.018 0.000 2.374 702 A HA 0.395 4.714 4.320 -0.002 0.000 0.317 702 A C -0.446 177.161 177.584 0.038 0.000 1.094 702 A CA -0.972 51.090 52.037 0.041 0.000 0.765 702 A CB 0.563 19.600 19.000 0.061 0.000 1.268 702 A HN 0.999 nan 8.150 nan 0.000 0.438 706 T N 0.512 115.146 114.554 0.134 0.000 2.794 706 T HA 0.525 4.874 4.350 -0.002 0.000 0.280 706 T C -0.000 174.795 174.700 0.159 0.000 0.987 706 T CA -0.325 61.850 62.100 0.125 0.000 0.993 706 T CB 1.736 70.671 68.868 0.112 0.000 0.939 706 T HN 0.505 nan 8.240 nan 0.000 0.449 707 V N 3.839 123.839 119.914 0.142 0.000 2.427 707 V HA 0.238 4.357 4.120 -0.002 0.000 0.268 707 V C 0.544 176.794 176.094 0.260 0.000 1.046 707 V CA -0.328 62.083 62.300 0.184 0.000 0.970 707 V CB 0.611 32.490 31.823 0.093 0.000 1.001 707 V HN 0.840 nan 8.190 nan 0.000 0.476 708 E N 4.579 124.948 120.200 0.283 0.000 2.191 708 E HA 0.356 4.704 4.350 -0.002 0.000 0.278 708 E C -0.341 176.385 176.600 0.211 0.000 0.972 708 E CA -0.889 55.646 56.400 0.225 0.000 0.804 708 E CB 1.207 30.978 29.700 0.118 0.000 1.110 708 E HN 0.595 nan 8.360 nan 0.000 0.394 709 K N 3.959 124.386 120.400 0.045 0.000 2.285 709 K HA 0.127 4.446 4.320 -0.002 0.000 0.286 709 K C 0.399 176.788 176.600 -0.352 0.000 1.072 709 K CA -0.354 55.662 56.287 -0.453 0.000 0.913 709 K CB 0.852 33.102 32.500 -0.416 0.000 1.067 709 K HN 0.407 nan 8.250 nan 0.000 0.479 710 V N 2.551 122.226 119.914 -0.398 0.000 2.302 710 V HA -0.112 4.006 4.120 -0.002 0.000 0.243 710 V C 0.837 176.770 176.094 -0.268 0.000 1.036 710 V CA 1.629 63.766 62.300 -0.271 0.000 1.020 710 V CB -0.250 31.438 31.823 -0.226 0.000 0.657 710 V HN 0.989 nan 8.190 nan 0.000 0.453 711 S N -1.466 114.024 115.700 -0.350 0.000 2.873 711 S HA 0.395 4.864 4.470 -0.002 0.000 0.303 711 S C -0.849 173.536 174.600 -0.358 0.000 1.222 711 S CA -0.608 57.425 58.200 -0.279 0.000 0.923 711 S CB 1.591 64.683 63.200 -0.180 0.000 1.286 711 S HN 0.143 nan 8.310 nan 0.000 0.571 712 E N 1.029 121.092 120.200 -0.229 0.000 2.383 712 E HA 0.431 4.780 4.350 -0.002 0.000 0.257 712 E C 1.264 177.752 176.600 -0.186 0.000 1.079 712 E CA 1.484 57.769 56.400 -0.193 0.000 0.934 712 E CB -0.526 29.116 29.700 -0.097 0.000 0.978 712 E HN 1.647 nan 8.360 nan 0.000 0.462 713 G N 2.923 111.576 108.800 -0.245 0.000 2.148 713 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.254 713 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.254 713 G C -0.132 174.747 174.900 -0.036 0.000 0.981 713 G CA 0.265 45.349 45.100 -0.027 0.000 0.670 713 G HN 0.549 nan 8.290 nan 0.000 0.528 714 V N 0.478 120.181 119.914 -0.351 0.000 2.531 714 V HA 0.760 4.879 4.120 -0.002 0.000 0.301 714 V C -0.075 175.801 176.094 -0.364 0.000 1.034 714 V CA -1.078 61.114 62.300 -0.180 0.000 0.865 714 V CB 1.688 33.420 31.823 -0.151 0.000 0.995 714 V HN 0.284 nan 8.190 nan 0.000 0.424 715 W N 3.762 125.050 121.300 -0.020 0.000 2.820 715 W HA 0.751 5.410 4.660 -0.002 0.000 0.350 715 W C -0.198 176.307 176.519 -0.023 0.000 1.116 715 W CA -0.784 56.552 57.345 -0.015 0.000 1.146 715 W CB 2.801 32.268 29.460 0.012 0.000 1.433 715 W HN 0.639 nan 8.180 nan 0.000 0.561 716 R N 1.068 121.693 120.500 0.209 0.000 2.771 716 R HA 0.848 5.187 4.340 -0.002 0.000 0.274 716 R C -2.030 174.416 176.300 0.244 0.000 0.987 716 R CA -0.994 55.183 56.100 0.127 0.000 0.908 716 R CB 2.140 32.351 30.300 -0.148 0.000 1.213 716 R HN 0.279 nan 8.270 nan 0.000 0.468 717 L N 1.677 123.101 121.223 0.336 0.000 2.470 717 L HA 0.440 4.778 4.340 -0.002 0.000 0.268 717 L C -1.641 175.517 176.870 0.480 0.000 0.964 717 L CA -0.589 54.468 54.840 0.360 0.000 0.839 717 L CB 2.104 44.298 42.059 0.225 0.000 1.276 717 L HN 0.842 nan 8.230 nan 0.000 0.403 718 W N 7.931 129.386 121.300 0.258 0.000 2.358 718 W HA 0.430 5.089 4.660 -0.002 0.000 0.307 718 W C -1.201 175.322 176.519 0.006 0.000 1.203 718 W CA -0.637 56.719 57.345 0.018 0.000 1.279 718 W CB 0.918 30.322 29.460 -0.095 0.000 1.264 718 W HN 0.445 nan 8.180 nan 0.000 0.474 719 I N 7.314 127.561 120.570 -0.538 0.000 2.331 719 I HA 0.052 4.221 4.170 -0.002 0.000 0.292 719 I C 0.530 176.263 176.117 -0.641 0.000 0.998 719 I CA 0.046 61.141 61.300 -0.341 0.000 1.267 719 I CB 1.421 39.386 38.000 -0.059 0.000 1.386 719 I HN 0.386 nan 8.210 nan 0.000 0.476 720 D N 3.668 123.898 120.400 -0.283 0.000 2.673 720 D HA 0.128 4.767 4.640 -0.002 0.000 0.278 720 D C -0.339 175.939 176.300 -0.036 0.000 1.393 720 D CA -0.176 53.720 54.000 -0.173 0.000 0.805 720 D CB 0.400 41.266 40.800 0.109 0.000 1.110 720 D HN 0.466 nan 8.370 nan 0.000 0.476 721 S N -1.086 114.600 115.700 -0.024 0.000 2.595 721 S HA 0.462 4.931 4.470 -0.002 0.000 0.270 721 S C -2.668 171.940 174.600 0.014 0.000 1.145 721 S CA -0.884 57.321 58.200 0.008 0.000 0.825 721 S CB 1.814 65.026 63.200 0.019 0.000 1.107 721 S HN -0.179 nan 8.310 nan 0.000 0.461 722 P HA 0.059 nan 4.420 nan 0.000 0.239 722 P C -0.247 177.062 177.300 0.015 0.000 1.184 722 P CA 0.397 63.505 63.100 0.013 0.000 0.760 722 P CB -0.236 31.470 31.700 0.011 0.000 0.884 723 E N 1.542 121.751 120.200 0.015 0.000 2.366 723 E HA 0.031 4.380 4.350 -0.002 0.000 0.266 723 E C 0.326 176.936 176.600 0.018 0.000 1.015 723 E CA -0.173 56.236 56.400 0.015 0.000 0.906 723 E CB 0.531 30.242 29.700 0.018 0.000 0.979 723 E HN 0.250 nan 8.360 nan 0.000 0.443 724 E N 3.439 123.648 120.200 0.015 0.000 2.415 724 E HA -0.071 4.278 4.350 -0.002 0.000 0.263 724 E C -0.517 176.100 176.600 0.027 0.000 0.995 724 E CA -0.243 56.169 56.400 0.020 0.000 0.915 724 E CB 0.501 30.207 29.700 0.009 0.000 0.951 724 E HN 0.208 nan 8.360 nan 0.000 0.449 725 R N 4.092 124.615 120.500 0.037 0.000 2.532 725 R HA 0.543 4.881 4.340 -0.002 0.000 0.295 725 R C -0.356 175.979 176.300 0.058 0.000 0.968 725 R CA -0.776 55.352 56.100 0.047 0.000 0.916 725 R CB 0.773 31.106 30.300 0.054 0.000 1.124 725 R HN 0.516 nan 8.270 nan 0.000 0.463 726 I N 2.086 122.691 120.570 0.059 0.000 2.478 726 I HA 0.362 4.530 4.170 -0.002 0.000 0.287 726 I C -0.344 175.817 176.117 0.074 0.000 1.042 726 I CA -1.158 60.185 61.300 0.072 0.000 1.067 726 I CB 2.238 40.271 38.000 0.056 0.000 1.233 726 I HN 0.290 nan 8.210 nan 0.000 0.431 727 V N 2.175 122.146 119.914 0.095 0.000 2.789 727 V HA 0.826 4.945 4.120 -0.002 0.000 0.311 727 V C -0.207 175.970 176.094 0.138 0.000 1.073 727 V CA -0.394 61.962 62.300 0.094 0.000 0.921 727 V CB 1.826 33.700 31.823 0.085 0.000 1.009 727 V HN 0.795 nan 8.190 nan 0.000 0.426 728 T N 2.573 117.190 114.554 0.106 0.000 2.823 728 T HA 0.848 5.197 4.350 -0.002 0.000 0.279 728 T C -0.703 174.069 174.700 0.121 0.000 0.998 728 T CA -0.302 61.859 62.100 0.103 0.000 0.994 728 T CB 1.391 70.270 68.868 0.017 0.000 0.960 728 T HN 1.593 nan 8.240 nan 0.000 0.448 729 Y N 0.439 120.714 120.300 -0.041 0.000 2.818 729 Y HA 0.823 5.372 4.550 -0.002 0.000 0.322 729 Y C -0.798 175.077 175.900 -0.041 0.000 1.323 729 Y CA -1.687 56.373 58.100 -0.067 0.000 1.090 729 Y CB 1.757 40.190 38.460 -0.046 0.000 1.328 729 Y HN 0.863 nan 8.280 nan 0.000 0.482 730 R N 2.563 122.932 120.500 -0.218 0.000 2.867 730 R HA 0.342 4.681 4.340 -0.002 0.000 0.288 730 R C -1.949 174.371 176.300 0.033 0.000 1.360 730 R CA -0.461 55.485 56.100 -0.257 0.000 1.042 730 R CB 1.293 31.495 30.300 -0.163 0.000 1.287 730 R HN 0.985 nan 8.270 nan 0.000 0.404 731 L N 0.000 121.300 121.223 0.129 0.000 2.949 731 L HA 0.000 4.339 4.340 -0.002 0.000 0.249 731 L CA 0.000 54.959 54.840 0.198 0.000 0.813 731 L CB 0.000 42.198 42.059 0.232 0.000 0.961 731 L HN 0.000 nan 8.230 nan 0.000 0.502