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 2fxh_1_B DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAWHSA GTYRTADGRG GAGEGQQRFA DATA SEQUENCE PLNSWPDNAN LDKARRLLWP IKQKYGRAIS WADLLILTGN VALESMGFKT DATA SEQUENCE FGFAGGRADT WEPEDVYWGS EKIWLELSGG PNSRYSGDRQ LENPLAAVQM DATA SEQUENCE GLIYVNPEGP DGNPDPVAAA RDIRDTFARM AMNDEETVAL IAGGHTFGKT DATA SEQUENCE HGAGPASNVG AEPEAAGIEA QGLGWKSAYR TGKGADAITS GLEVTWTTTP DATA SEQUENCE TQWSHNFFEN LFGYEWELTK SPAGAHQWVA KGADAVIPDA FDPSKKHRPT DATA SEQUENCE MLTTDLSLRF DPAYEKISRR FHENPEQFAD AFARAWFKLT HRDMGPRARY DATA SEQUENCE LGPEVPAEVL LWQDPIPAVD HPLIDAADAA ELKAKVLASG LTVSQLVSTA DATA SEQUENCE WAAASTFRGS DKRGGANGAR IRLAPQKDWE ANQPEQLAAV LETLEAIRTA DATA SEQUENCE FNGAQRGGKQ VSLADLIVLA GCAGVEQAAK NAGHAVTVPF APGRADASQE DATA SEQUENCE QTDVESMAVL EPVADGFRNY LKGKYRVPAE VLLVDKAQLL TLSAPEMTVL DATA SEQUENCE LGGLRVLGAN VGQSRHGVFT AREQALTNDF FVNLLDMGTE WKPTAADADV DATA SEQUENCE FEGRDRATGE LKWTGTRVDL VFGSHSQLRA LAEVYGSADA QEKFVRDFVA DATA SEQUENCE VWNKVMNLDR FDLA 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 35 N HA 0.000 nan 4.740 nan 0.000 0.220 35 N C 0.000 175.473 175.510 -0.061 0.000 1.280 35 N CA 0.000 53.019 53.050 -0.051 0.000 0.885 35 N CB 0.000 38.453 38.487 -0.057 0.000 1.341 36 G N 0.532 109.303 108.800 -0.048 0.000 2.398 36 G HA2 0.469 4.432 3.960 0.005 0.000 0.246 36 G HA3 0.469 4.432 3.960 0.005 0.000 0.246 36 G C 0.361 175.209 174.900 -0.088 0.000 1.289 36 G CA 0.588 45.661 45.100 -0.044 0.000 0.869 36 G HN 0.953 nan 8.290 nan 0.000 0.543 37 T N 1.302 115.787 114.554 -0.115 0.000 2.851 37 T HA 0.440 4.793 4.350 0.005 0.000 0.298 37 T C 0.879 175.469 174.700 -0.183 0.000 0.977 37 T CA -0.112 61.823 62.100 -0.275 0.000 1.126 37 T CB 1.038 69.627 68.868 -0.465 0.000 0.916 37 T HN 0.803 nan 8.240 nan 0.000 0.529 38 S N 2.598 118.153 115.700 -0.242 0.000 2.739 38 S HA 0.398 4.871 4.470 0.005 0.000 0.306 38 S C 1.042 175.631 174.600 -0.018 0.000 1.115 38 S CA -0.939 57.225 58.200 -0.060 0.000 0.985 38 S CB 1.036 64.214 63.200 -0.037 0.000 1.133 38 S HN 0.460 nan 8.310 nan 0.000 0.541 39 N N 0.647 119.464 118.700 0.195 0.000 2.223 39 N HA -0.049 4.694 4.740 0.005 0.000 0.185 39 N C 1.617 177.290 175.510 0.271 0.000 1.016 39 N CA 0.965 54.250 53.050 0.392 0.000 0.863 39 N CB -0.624 38.123 38.487 0.434 0.000 0.983 39 N HN 0.634 nan 8.380 nan 0.000 0.429 40 R N 0.940 121.513 120.500 0.123 0.000 2.115 40 R HA -0.030 4.313 4.340 0.005 0.000 0.230 40 R C 1.047 177.323 176.300 -0.040 0.000 1.111 40 R CA 1.114 57.256 56.100 0.071 0.000 0.976 40 R CB -0.019 30.305 30.300 0.040 0.000 0.870 40 R HN 0.155 nan 8.270 nan 0.000 0.445 41 D N -1.113 119.179 120.400 -0.180 0.000 2.117 41 D HA -0.176 4.467 4.640 0.005 0.000 0.198 41 D C 1.590 177.639 176.300 -0.418 0.000 0.982 41 D CA 1.210 55.000 54.000 -0.350 0.000 0.828 41 D CB -0.341 40.117 40.800 -0.571 0.000 0.967 41 D HN 0.338 nan 8.370 nan 0.000 0.464 42 W N -0.318 120.711 121.300 -0.451 0.000 2.418 42 W HA -0.022 4.640 4.660 0.005 0.000 0.292 42 W C 0.640 176.564 176.519 -0.991 0.000 1.213 42 W CA 0.035 56.813 57.345 -0.945 0.000 1.283 42 W CB 0.133 28.475 29.460 -1.864 0.000 1.119 42 W HN -0.071 nan 8.180 nan 0.000 0.542 43 W N 1.144 122.575 121.300 0.219 0.000 2.291 43 W HA 0.240 4.903 4.660 0.005 0.000 0.288 43 W C -2.037 174.526 176.519 0.074 0.000 0.976 43 W CA -1.800 55.619 57.345 0.123 0.000 1.744 43 W CB -0.172 29.346 29.460 0.097 0.000 1.815 43 W HN -0.174 nan 8.180 nan 0.000 0.396 44 P HA -0.073 nan 4.420 nan 0.000 0.233 44 P C 0.628 177.988 177.300 0.100 0.000 1.167 44 P CA 1.131 64.286 63.100 0.092 0.000 0.770 44 P CB 0.502 32.222 31.700 0.033 0.000 0.837 45 N N -0.374 118.400 118.700 0.124 0.000 2.238 45 N HA 0.062 4.805 4.740 0.005 0.000 0.222 45 N C 0.602 176.173 175.510 0.103 0.000 1.133 45 N CA 0.009 53.115 53.050 0.093 0.000 0.854 45 N CB 0.205 38.739 38.487 0.079 0.000 1.041 45 N HN 0.224 nan 8.380 nan 0.000 0.510 46 Q N 0.882 120.770 119.800 0.146 0.000 2.368 46 Q HA 0.253 4.596 4.340 0.005 0.000 0.237 46 Q C -0.573 175.499 176.000 0.120 0.000 0.987 46 Q CA -0.479 55.407 55.803 0.138 0.000 0.896 46 Q CB 0.741 29.584 28.738 0.175 0.000 1.241 46 Q HN 0.142 nan 8.270 nan 0.000 0.485 47 L N 2.851 124.155 121.223 0.136 0.000 2.410 47 L HA 0.223 4.566 4.340 0.005 0.000 0.273 47 L C -0.886 176.036 176.870 0.087 0.000 1.144 47 L CA 0.477 55.351 54.840 0.056 0.000 0.863 47 L CB 0.686 42.716 42.059 -0.048 0.000 1.140 47 L HN 0.634 nan 8.230 nan 0.000 0.463 48 D N 4.261 124.676 120.400 0.024 0.000 2.396 48 D HA 0.185 4.828 4.640 0.005 0.000 0.225 48 D C 0.753 177.034 176.300 -0.031 0.000 1.121 48 D CA -0.013 54.006 54.000 0.033 0.000 0.853 48 D CB 0.631 41.448 40.800 0.029 0.000 1.043 48 D HN 0.602 nan 8.370 nan 0.000 0.500 49 L N 2.479 123.687 121.223 -0.025 0.000 2.492 49 L HA -0.031 4.312 4.340 0.005 0.000 0.223 49 L C 2.249 179.051 176.870 -0.114 0.000 1.132 49 L CA 0.321 55.107 54.840 -0.091 0.000 0.850 49 L CB -0.252 41.785 42.059 -0.036 0.000 0.966 49 L HN 0.384 nan 8.230 nan 0.000 0.454 50 S N 0.971 116.665 115.700 -0.010 0.000 2.419 50 S HA -0.216 4.257 4.470 0.005 0.000 0.233 50 S C 1.950 176.508 174.600 -0.071 0.000 1.016 50 S CA 1.165 59.373 58.200 0.014 0.000 0.974 50 S CB -0.798 62.430 63.200 0.047 0.000 0.786 50 S HN 0.616 nan 8.310 nan 0.000 0.492 51 I N -0.786 119.732 120.570 -0.087 0.000 2.530 51 I HA -0.054 4.119 4.170 0.005 0.000 0.257 51 I C 1.889 177.938 176.117 -0.113 0.000 1.179 51 I CA 1.348 62.600 61.300 -0.080 0.000 1.440 51 I CB -0.435 37.532 38.000 -0.055 0.000 1.087 51 I HN 0.238 nan 8.210 nan 0.000 0.440 52 L N 0.118 121.184 121.223 -0.261 0.000 2.492 52 L HA 0.037 4.380 4.340 0.005 0.000 0.223 52 L C 1.117 177.813 176.870 -0.289 0.000 1.132 52 L CA 0.711 55.356 54.840 -0.324 0.000 0.850 52 L CB -0.578 41.199 42.059 -0.470 0.000 0.966 52 L HN 0.399 nan 8.230 nan 0.000 0.454 53 H N -1.602 117.488 119.070 0.033 0.000 2.567 53 H HA 0.250 4.809 4.556 0.005 0.000 0.267 53 H C 0.244 175.565 175.328 -0.011 0.000 1.148 53 H CA -0.699 55.365 56.048 0.027 0.000 1.031 53 H CB 0.508 30.286 29.762 0.027 0.000 1.691 53 H HN -0.010 nan 8.280 nan 0.000 0.588 54 R N 0.382 120.889 120.500 0.011 0.000 2.637 54 R HA 0.080 4.423 4.340 0.005 0.000 0.269 54 R C 0.046 176.294 176.300 -0.087 0.000 1.089 54 R CA -0.153 55.833 56.100 -0.192 0.000 1.177 54 R CB 0.027 30.068 30.300 -0.432 0.000 1.091 54 R HN 0.653 nan 8.270 nan 0.000 0.540 55 H N -2.294 116.817 119.070 0.068 0.000 2.839 55 H HA -0.165 4.394 4.556 0.005 0.000 0.298 55 H C 0.161 175.553 175.328 0.107 0.000 1.224 55 H CA 0.626 56.730 56.048 0.095 0.000 1.144 55 H CB -1.538 28.275 29.762 0.084 0.000 1.372 55 H HN 0.690 nan 8.280 nan 0.000 0.408 56 S N -0.644 115.136 115.700 0.133 0.000 2.624 56 S HA 0.246 4.719 4.470 0.005 0.000 0.263 56 S C 1.864 176.528 174.600 0.106 0.000 1.287 56 S CA -0.259 58.008 58.200 0.113 0.000 0.990 56 S CB 1.683 64.927 63.200 0.073 0.000 0.950 56 S HN 0.521 nan 8.310 nan 0.000 0.561 57 S N 0.885 116.635 115.700 0.083 0.000 2.442 57 S HA -0.100 4.373 4.470 0.005 0.000 0.236 57 S C 1.745 176.365 174.600 0.033 0.000 1.007 57 S CA 1.013 59.251 58.200 0.064 0.000 0.965 57 S CB -1.051 62.180 63.200 0.051 0.000 0.773 57 S HN 0.661 nan 8.310 nan 0.000 0.504 58 L N 2.099 123.338 121.223 0.028 0.000 2.046 58 L HA -0.074 4.269 4.340 0.005 0.000 0.208 58 L C 2.955 179.822 176.870 -0.005 0.000 1.077 58 L CA 1.516 56.360 54.840 0.006 0.000 0.747 58 L CB -0.821 41.242 42.059 0.006 0.000 0.896 58 L HN 0.569 nan 8.230 nan 0.000 0.432 59 S N -2.481 113.228 115.700 0.015 0.000 2.527 59 S HA -0.031 4.442 4.470 0.005 0.000 0.222 59 S C 0.693 175.282 174.600 -0.018 0.000 0.985 59 S CA -0.231 57.980 58.200 0.017 0.000 0.921 59 S CB -0.242 62.988 63.200 0.049 0.000 0.772 59 S HN 0.264 nan 8.310 nan 0.000 0.529 60 D N 3.142 123.509 120.400 -0.055 0.000 2.295 60 D HA 0.276 4.919 4.640 0.005 0.000 0.248 60 D C -1.495 174.579 176.300 -0.378 0.000 1.154 60 D CA -2.067 51.787 54.000 -0.244 0.000 0.857 60 D CB 1.808 42.597 40.800 -0.019 0.000 1.117 60 D HN 0.084 nan 8.370 nan 0.000 0.468 61 P HA 0.019 nan 4.420 nan 0.000 0.241 61 P C 0.358 177.423 177.300 -0.392 0.000 1.191 61 P CA 0.142 62.941 63.100 -0.501 0.000 0.771 61 P CB 0.300 31.615 31.700 -0.641 0.000 0.929 62 M N 0.179 119.542 119.600 -0.396 0.000 2.291 62 M HA 0.373 4.856 4.480 0.005 0.000 0.324 62 M C 1.224 177.482 176.300 -0.071 0.000 1.148 62 M CA -1.009 54.133 55.300 -0.263 0.000 1.104 62 M CB -0.070 32.357 32.600 -0.289 0.000 1.483 62 M HN -0.194 nan 8.290 nan 0.000 0.467 63 G N 1.125 109.924 108.800 -0.003 0.000 2.664 63 G HA2 0.078 4.041 3.960 0.005 0.000 0.242 63 G HA3 0.078 4.041 3.960 0.005 0.000 0.242 63 G C 0.685 175.659 174.900 0.123 0.000 1.225 63 G CA -0.399 44.738 45.100 0.061 0.000 0.849 63 G HN 0.819 nan 8.290 nan 0.000 0.581 64 K N -0.337 120.117 120.400 0.090 0.000 2.147 64 K HA -0.081 4.242 4.320 0.005 0.000 0.205 64 K C 1.249 177.921 176.600 0.120 0.000 1.049 64 K CA 1.397 57.743 56.287 0.098 0.000 0.936 64 K CB 0.138 32.677 32.500 0.065 0.000 0.722 64 K HN 0.382 nan 8.250 nan 0.000 0.446 65 D N -0.158 120.316 120.400 0.124 0.000 2.340 65 D HA -0.046 4.597 4.640 0.005 0.000 0.220 65 D C 0.028 176.427 176.300 0.165 0.000 1.039 65 D CA 0.063 54.133 54.000 0.116 0.000 0.866 65 D CB -0.142 40.712 40.800 0.090 0.000 0.913 65 D HN 0.011 nan 8.370 nan 0.000 0.523 66 F N 2.412 122.409 119.950 0.079 0.000 2.602 66 F HA 0.066 4.596 4.527 0.005 0.000 0.385 66 F C 0.465 176.345 175.800 0.134 0.000 1.063 66 F CA -0.253 57.812 58.000 0.108 0.000 1.233 66 F CB 0.250 39.327 39.000 0.128 0.000 1.067 66 F HN -0.260 nan 8.300 nan 0.000 0.564 67 N N 6.272 124.633 118.700 -0.565 0.000 2.564 67 N HA 0.010 4.753 4.740 0.005 0.000 0.248 67 N C 0.302 175.379 175.510 -0.721 0.000 0.986 67 N CA -0.423 52.346 53.050 -0.468 0.000 0.921 67 N CB 0.300 38.675 38.487 -0.188 0.000 1.136 67 N HN 0.767 nan 8.380 nan 0.000 0.509 68 Y N 4.549 124.385 120.300 -0.773 0.000 2.181 68 Y HA -0.078 4.474 4.550 0.005 0.000 0.288 68 Y C 1.968 177.798 175.900 -0.117 0.000 1.146 68 Y CA 2.225 60.054 58.100 -0.452 0.000 1.164 68 Y CB -0.257 38.158 38.460 -0.075 0.000 0.982 68 Y HN 0.623 nan 8.280 nan 0.000 0.515 69 A N 0.325 122.992 122.820 -0.256 0.000 1.917 69 A HA -0.292 4.031 4.320 0.005 0.000 0.219 69 A C 2.134 179.623 177.584 -0.159 0.000 1.182 69 A CA 2.155 54.062 52.037 -0.216 0.000 0.633 69 A CB -0.794 18.161 19.000 -0.075 0.000 0.819 69 A HN 0.689 nan 8.150 nan 0.000 0.448 70 Q N -0.890 118.821 119.800 -0.147 0.000 2.119 70 Q HA -0.048 4.295 4.340 0.005 0.000 0.201 70 Q C 2.420 178.374 176.000 -0.077 0.000 0.972 70 Q CA 1.178 56.927 55.803 -0.090 0.000 0.847 70 Q CB -0.351 28.345 28.738 -0.071 0.000 0.903 70 Q HN 0.706 nan 8.270 nan 0.000 0.433 71 A N 0.574 123.333 122.820 -0.103 0.000 1.873 71 A HA -0.182 4.141 4.320 0.005 0.000 0.215 71 A C 1.847 179.407 177.584 -0.040 0.000 1.186 71 A CA 1.004 53.049 52.037 0.015 0.000 0.616 71 A CB -0.771 18.371 19.000 0.237 0.000 0.823 71 A HN 0.432 nan 8.150 nan 0.000 0.442 72 F N 1.056 120.792 119.950 -0.356 0.000 2.126 72 F HA -0.155 4.375 4.527 0.005 0.000 0.299 72 F C 2.168 177.877 175.800 -0.152 0.000 1.096 72 F CA 2.025 59.836 58.000 -0.315 0.000 1.255 72 F CB -0.007 38.649 39.000 -0.573 0.000 0.997 72 F HN 0.221 nan 8.300 nan 0.000 0.479 73 E N 0.417 120.563 120.200 -0.089 0.000 2.338 73 E HA -0.167 4.186 4.350 0.005 0.000 0.197 73 E C 1.657 178.165 176.600 -0.154 0.000 1.007 73 E CA 0.980 57.316 56.400 -0.106 0.000 0.849 73 E CB -0.268 29.424 29.700 -0.013 0.000 0.774 73 E HN 0.534 nan 8.360 nan 0.000 0.506 74 K N 0.368 120.686 120.400 -0.137 0.000 2.374 74 K HA 0.091 4.414 4.320 0.005 0.000 0.196 74 K C 0.539 177.062 176.600 -0.128 0.000 1.023 74 K CA -0.358 55.868 56.287 -0.103 0.000 1.103 74 K CB 0.313 32.788 32.500 -0.042 0.000 0.848 74 K HN -0.061 nan 8.250 nan 0.000 0.528 75 L N 2.218 123.296 121.223 -0.242 0.000 2.453 75 L HA 0.023 4.366 4.340 0.005 0.000 0.272 75 L C -0.010 176.720 176.870 -0.233 0.000 1.182 75 L CA 0.325 55.018 54.840 -0.246 0.000 0.858 75 L CB 0.502 42.284 42.059 -0.463 0.000 1.120 75 L HN -0.013 nan 8.230 nan 0.000 0.474 76 D N 4.109 124.429 120.400 -0.134 0.000 2.470 76 D HA -0.010 4.633 4.640 0.005 0.000 0.226 76 D C 0.982 177.166 176.300 -0.194 0.000 1.196 76 D CA -0.098 53.834 54.000 -0.112 0.000 0.979 76 D CB 0.323 41.119 40.800 -0.007 0.000 1.059 76 D HN 0.614 nan 8.370 nan 0.000 0.515 77 L N 4.242 125.335 121.223 -0.217 0.000 2.083 77 L HA -0.062 4.281 4.340 0.005 0.000 0.209 77 L C 2.092 178.871 176.870 -0.152 0.000 1.083 77 L CA 1.991 56.702 54.840 -0.213 0.000 0.752 77 L CB -0.591 41.381 42.059 -0.145 0.000 0.899 77 L HN 0.376 nan 8.230 nan 0.000 0.433 78 A N -0.454 122.308 122.820 -0.096 0.000 1.908 78 A HA -0.160 4.163 4.320 0.005 0.000 0.218 78 A C 2.462 180.017 177.584 -0.049 0.000 1.181 78 A CA 1.938 53.941 52.037 -0.056 0.000 0.627 78 A CB -1.163 17.815 19.000 -0.036 0.000 0.818 78 A HN 0.566 nan 8.150 nan 0.000 0.445 79 A N -0.595 122.194 122.820 -0.050 0.000 1.902 79 A HA 0.022 4.345 4.320 0.005 0.000 0.217 79 A C 2.220 179.787 177.584 -0.028 0.000 1.181 79 A CA 1.758 53.803 52.037 0.014 0.000 0.623 79 A CB -0.908 18.159 19.000 0.111 0.000 0.818 79 A HN 0.423 nan 8.150 nan 0.000 0.443 80 V N 0.247 119.986 119.914 -0.292 0.000 2.343 80 V HA -0.283 3.840 4.120 0.005 0.000 0.247 80 V C 2.398 178.389 176.094 -0.171 0.000 1.051 80 V CA 2.350 64.384 62.300 -0.443 0.000 1.036 80 V CB -0.740 30.677 31.823 -0.676 0.000 0.654 80 V HN 0.538 nan 8.190 nan 0.000 0.451 81 K N -0.184 120.142 120.400 -0.123 0.000 2.097 81 K HA -0.128 4.195 4.320 0.005 0.000 0.206 81 K C 2.401 179.066 176.600 0.108 0.000 1.049 81 K CA 1.218 57.485 56.287 -0.033 0.000 0.933 81 K CB -0.229 32.270 32.500 -0.002 0.000 0.717 81 K HN 0.414 nan 8.250 nan 0.000 0.442 82 R N 0.870 121.419 120.500 0.082 0.000 2.081 82 R HA -0.121 4.222 4.340 0.005 0.000 0.235 82 R C 1.763 178.125 176.300 0.104 0.000 1.131 82 R CA 1.461 57.621 56.100 0.100 0.000 0.960 82 R CB -0.228 30.099 30.300 0.046 0.000 0.856 82 R HN 0.208 nan 8.270 nan 0.000 0.436 83 D N 0.822 121.269 120.400 0.079 0.000 2.117 83 D HA -0.127 4.516 4.640 0.005 0.000 0.197 83 D C 2.013 178.341 176.300 0.046 0.000 0.987 83 D CA 1.027 55.074 54.000 0.078 0.000 0.829 83 D CB -0.127 40.753 40.800 0.132 0.000 0.961 83 D HN 0.168 nan 8.370 nan 0.000 0.460 84 L N 0.263 121.483 121.223 -0.005 0.000 2.046 84 L HA -0.172 4.171 4.340 0.005 0.000 0.208 84 L C 2.547 179.387 176.870 -0.051 0.000 1.077 84 L CA 1.015 55.805 54.840 -0.082 0.000 0.747 84 L CB -0.471 41.475 42.059 -0.188 0.000 0.896 84 L HN 0.186 nan 8.230 nan 0.000 0.432 85 H N -0.216 118.847 119.070 -0.012 0.000 2.319 85 H HA -0.164 4.395 4.556 0.005 0.000 0.299 85 H C 2.262 177.597 175.328 0.011 0.000 1.092 85 H CA 1.695 57.748 56.048 0.009 0.000 1.302 85 H CB 0.003 29.770 29.762 0.009 0.000 1.373 85 H HN 0.381 nan 8.280 nan 0.000 0.497 86 A N 1.076 123.980 122.820 0.141 0.000 1.902 86 A HA -0.147 4.176 4.320 0.005 0.000 0.217 86 A C 2.513 180.147 177.584 0.083 0.000 1.181 86 A CA 1.372 53.463 52.037 0.089 0.000 0.623 86 A CB -0.781 18.262 19.000 0.073 0.000 0.818 86 A HN 0.316 nan 8.150 nan 0.000 0.443 87 L N -0.810 120.471 121.223 0.095 0.000 2.131 87 L HA -0.160 4.183 4.340 0.005 0.000 0.210 87 L C 2.248 179.257 176.870 0.232 0.000 1.092 87 L CA 1.833 56.765 54.840 0.154 0.000 0.759 87 L CB -0.497 41.639 42.059 0.128 0.000 0.903 87 L HN 0.302 nan 8.230 nan 0.000 0.435 88 M N -0.471 119.209 119.600 0.133 0.000 2.144 88 M HA -0.156 4.327 4.480 0.005 0.000 0.260 88 M C 1.732 177.947 176.300 -0.141 0.000 1.067 88 M CA 2.130 57.448 55.300 0.030 0.000 1.095 88 M CB -1.830 30.618 32.600 -0.253 0.000 1.365 88 M HN 0.618 nan 8.290 nan 0.000 0.406 89 T N -4.088 110.395 114.554 -0.117 0.000 3.182 89 T HA 0.180 4.533 4.350 0.005 0.000 0.277 89 T C 0.260 174.935 174.700 -0.041 0.000 1.013 89 T CA -0.308 61.712 62.100 -0.134 0.000 0.900 89 T CB -0.396 68.406 68.868 -0.108 0.000 1.098 89 T HN 0.089 nan 8.240 nan 0.000 0.543 90 T N 2.562 117.150 114.554 0.056 0.000 3.151 90 T HA 0.414 4.767 4.350 0.005 0.000 0.332 90 T C 0.144 174.931 174.700 0.145 0.000 1.245 90 T CA -0.294 61.859 62.100 0.088 0.000 1.019 90 T CB 0.528 69.465 68.868 0.115 0.000 1.109 90 T HN 0.367 nan 8.240 nan 0.000 0.621 91 S N 3.392 119.096 115.700 0.007 0.000 2.549 91 S HA 0.165 4.638 4.470 0.005 0.000 0.279 91 S C 0.014 174.628 174.600 0.022 0.000 1.321 91 S CA -0.578 57.600 58.200 -0.037 0.000 1.054 91 S CB 0.322 63.423 63.200 -0.166 0.000 0.899 91 S HN 0.434 nan 8.310 nan 0.000 0.497 92 Q N 3.122 122.917 119.800 -0.009 0.000 2.271 92 Q HA 0.250 4.593 4.340 0.005 0.000 0.258 92 Q C 0.157 175.977 176.000 -0.301 0.000 0.936 92 Q CA -0.599 55.051 55.803 -0.254 0.000 0.909 92 Q CB 1.555 29.846 28.738 -0.746 0.000 1.253 92 Q HN 0.679 nan 8.270 nan 0.000 0.440 93 D N 1.620 121.932 120.400 -0.148 0.000 2.218 93 D HA -0.138 4.505 4.640 0.005 0.000 0.204 93 D C 1.564 177.886 176.300 0.037 0.000 0.976 93 D CA 0.885 54.864 54.000 -0.035 0.000 0.853 93 D CB 0.117 40.949 40.800 0.052 0.000 0.939 93 D HN 0.692 nan 8.370 nan 0.000 0.481 94 W N -1.567 119.829 121.300 0.160 0.000 2.800 94 W HA 0.042 4.705 4.660 0.005 0.000 0.249 94 W C 0.307 177.041 176.519 0.359 0.000 1.294 94 W CA -0.184 57.279 57.345 0.198 0.000 1.402 94 W CB -0.482 29.079 29.460 0.168 0.000 1.126 94 W HN -0.029 nan 8.180 nan 0.000 0.652 95 W N 3.164 124.316 121.300 -0.248 0.000 1.896 95 W HA 0.247 4.910 4.660 0.005 0.000 0.302 95 W C -2.908 173.570 176.519 -0.068 0.000 1.016 95 W CA -1.867 55.410 57.345 -0.114 0.000 1.200 95 W CB 0.640 30.041 29.460 -0.100 0.000 1.226 95 W HN -0.370 nan 8.180 nan 0.000 0.308 96 P HA 0.025 nan 4.420 nan 0.000 0.266 96 P C -0.058 177.181 177.300 -0.102 0.000 1.195 96 P CA 0.637 63.664 63.100 -0.122 0.000 0.768 96 P CB 0.816 32.457 31.700 -0.098 0.000 0.838 97 A N 3.133 125.770 122.820 -0.305 0.000 2.451 97 A HA 0.131 4.454 4.320 0.005 0.000 0.266 97 A C 0.078 177.455 177.584 -0.346 0.000 1.119 97 A CA -0.279 51.405 52.037 -0.589 0.000 0.786 97 A CB -0.430 17.835 19.000 -1.225 0.000 1.061 97 A HN 0.443 nan 8.150 nan 0.000 0.503 98 D N 1.902 122.150 120.400 -0.253 0.000 2.488 98 D HA 0.151 4.794 4.640 0.005 0.000 0.238 98 D C 0.458 176.496 176.300 -0.437 0.000 1.138 98 D CA 0.745 54.400 54.000 -0.576 0.000 0.873 98 D CB -0.217 40.460 40.800 -0.205 0.000 1.183 98 D HN 0.509 nan 8.370 nan 0.000 0.458 99 F N 0.368 119.989 119.950 -0.548 0.000 3.079 99 F HA -0.262 4.268 4.527 0.005 0.000 0.285 99 F C 1.611 177.291 175.800 -0.200 0.000 0.819 99 F CA 0.568 58.388 58.000 -0.300 0.000 1.067 99 F CB -2.035 36.879 39.000 -0.142 0.000 1.263 99 F HN 0.640 nan 8.300 nan 0.000 0.458 100 G N -0.739 107.954 108.800 -0.177 0.000 2.168 100 G HA2 -0.328 3.635 3.960 0.005 0.000 0.257 100 G HA3 -0.328 3.635 3.960 0.005 0.000 0.257 100 G C -0.118 174.732 174.900 -0.083 0.000 0.997 100 G CA 0.531 45.551 45.100 -0.134 0.000 0.708 100 G HN 0.975 nan 8.290 nan 0.000 0.520 101 H N -1.681 117.300 119.070 -0.148 0.000 3.017 101 H HA 0.396 4.955 4.556 0.005 0.000 0.340 101 H C -0.062 175.240 175.328 -0.044 0.000 1.014 101 H CA -0.895 55.117 56.048 -0.060 0.000 1.341 101 H CB 0.817 30.613 29.762 0.056 0.000 1.739 101 H HN 0.028 nan 8.280 nan 0.000 0.506 102 Y N 2.833 123.242 120.300 0.181 0.000 2.502 102 Y HA 0.060 4.613 4.550 0.005 0.000 0.295 102 Y C 2.219 178.196 175.900 0.128 0.000 1.193 102 Y CA 0.815 58.931 58.100 0.026 0.000 1.295 102 Y CB 0.042 38.364 38.460 -0.230 0.000 1.059 102 Y HN 0.811 nan 8.280 nan 0.000 0.514 103 G N 0.159 109.333 108.800 0.623 0.000 2.476 103 G HA2 -0.286 3.677 3.960 0.005 0.000 0.218 103 G HA3 -0.286 3.677 3.960 0.005 0.000 0.218 103 G C 2.074 177.097 174.900 0.205 0.000 1.164 103 G CA 1.016 46.363 45.100 0.411 0.000 0.768 103 G HN 0.504 nan 8.290 nan 0.000 0.560 104 G N 0.758 109.679 108.800 0.202 0.000 2.446 104 G HA2 -0.164 3.799 3.960 0.005 0.000 0.217 104 G HA3 -0.164 3.799 3.960 0.005 0.000 0.217 104 G C 1.773 176.814 174.900 0.235 0.000 1.168 104 G CA 1.078 46.318 45.100 0.233 0.000 0.771 104 G HN 0.430 nan 8.290 nan 0.000 0.551 105 L N -0.426 120.913 121.223 0.194 0.000 2.042 105 L HA 0.040 4.383 4.340 0.005 0.000 0.210 105 L C 2.451 179.367 176.870 0.076 0.000 1.076 105 L CA 1.681 56.579 54.840 0.097 0.000 0.749 105 L CB -0.522 41.540 42.059 0.005 0.000 0.893 105 L HN 0.171 nan 8.230 nan 0.000 0.432 106 F N -0.724 119.338 119.950 0.186 0.000 2.325 106 F HA -0.034 4.496 4.527 0.005 0.000 0.299 106 F C 2.296 178.194 175.800 0.162 0.000 1.090 106 F CA 0.817 58.901 58.000 0.141 0.000 1.392 106 F CB -0.662 38.410 39.000 0.119 0.000 1.053 106 F HN 0.040 nan 8.300 nan 0.000 0.521 107 I N -0.330 120.427 120.570 0.312 0.000 2.202 107 I HA -0.286 3.887 4.170 0.005 0.000 0.242 107 I C 2.723 179.100 176.117 0.433 0.000 1.091 107 I CA 1.216 62.675 61.300 0.265 0.000 1.368 107 I CB -0.402 37.608 38.000 0.017 0.000 1.058 107 I HN 0.016 nan 8.210 nan 0.000 0.410 108 R N 1.066 121.777 120.500 0.353 0.000 2.091 108 R HA -0.227 4.116 4.340 0.005 0.000 0.238 108 R C 2.416 178.809 176.300 0.155 0.000 1.136 108 R CA 1.687 57.989 56.100 0.336 0.000 0.959 108 R CB -0.263 30.140 30.300 0.172 0.000 0.856 108 R HN 0.311 nan 8.270 nan 0.000 0.437 109 M N 0.080 119.774 119.600 0.156 0.000 2.080 109 M HA -0.168 4.315 4.480 0.005 0.000 0.260 109 M C 2.113 178.512 176.300 0.165 0.000 1.068 109 M CA 2.228 57.599 55.300 0.118 0.000 1.109 109 M CB -0.191 32.543 32.600 0.223 0.000 1.342 109 M HN 0.317 nan 8.290 nan 0.000 0.405 110 A N 0.530 123.523 122.820 0.288 0.000 1.898 110 A HA -0.220 4.103 4.320 0.005 0.000 0.216 110 A C 2.058 179.781 177.584 0.232 0.000 1.181 110 A CA 1.396 53.592 52.037 0.266 0.000 0.620 110 A CB -1.562 17.694 19.000 0.426 0.000 0.819 110 A HN 0.928 nan 8.150 nan 0.000 0.442 111 W N 0.419 121.898 121.300 0.298 0.000 2.358 111 W HA -0.219 4.444 4.660 0.004 0.000 0.303 111 W C 1.738 178.385 176.519 0.213 0.000 1.208 111 W CA 1.818 59.316 57.345 0.254 0.000 1.274 111 W CB -0.715 29.034 29.460 0.481 0.000 1.138 111 W HN 0.593 nan 8.180 nan 0.000 0.515 112 H N -0.195 118.549 119.070 -0.544 0.000 2.423 112 H HA -0.144 4.415 4.556 0.005 0.000 0.297 112 H C 2.664 177.722 175.328 -0.451 0.000 1.075 112 H CA 1.345 56.991 56.048 -0.669 0.000 1.342 112 H CB -0.086 29.446 29.762 -0.383 0.000 1.395 112 H HN 0.130 nan 8.280 nan 0.000 0.530 113 S N 0.438 116.048 115.700 -0.150 0.000 2.356 113 S HA -0.162 4.311 4.470 0.005 0.000 0.223 113 S C 2.389 176.862 174.600 -0.212 0.000 1.032 113 S CA 1.059 59.158 58.200 -0.170 0.000 1.005 113 S CB -0.192 62.947 63.200 -0.101 0.000 0.867 113 S HN 0.499 nan 8.310 nan 0.000 0.449 114 A N 0.325 123.015 122.820 -0.216 0.000 1.968 114 A HA 0.232 4.555 4.320 0.005 0.000 0.217 114 A C 2.164 179.623 177.584 -0.209 0.000 1.169 114 A CA 1.407 53.316 52.037 -0.213 0.000 0.638 114 A CB -1.159 17.712 19.000 -0.216 0.000 0.812 114 A HN 0.612 nan 8.150 nan 0.000 0.446 115 G N -0.549 107.983 108.800 -0.447 0.000 2.848 115 G HA2 0.025 3.988 3.960 0.005 0.000 0.208 115 G HA3 0.025 3.988 3.960 0.005 0.000 0.208 115 G C 1.342 175.917 174.900 -0.542 0.000 1.152 115 G CA 1.401 46.085 45.100 -0.694 0.000 0.789 115 G HN 0.627 nan 8.290 nan 0.000 0.531 116 T N -2.834 111.545 114.554 -0.292 0.000 3.113 116 T HA 0.069 4.422 4.350 0.005 0.000 0.256 116 T C 0.943 175.739 174.700 0.162 0.000 1.131 116 T CA -0.471 61.587 62.100 -0.069 0.000 1.074 116 T CB -0.279 68.527 68.868 -0.103 0.000 0.944 116 T HN 0.164 nan 8.240 nan 0.000 0.516 117 Y N 3.381 123.676 120.300 -0.009 0.000 2.712 117 Y HA 0.346 4.898 4.550 0.004 0.000 0.333 117 Y C 0.063 176.003 175.900 0.066 0.000 1.225 117 Y CA -0.781 57.331 58.100 0.020 0.000 1.499 117 Y CB 0.313 38.757 38.460 -0.025 0.000 1.288 117 Y HN 0.067 nan 8.280 nan 0.000 0.575 118 R N 3.360 123.517 120.500 -0.571 0.000 2.480 118 R HA 0.238 4.581 4.340 0.005 0.000 0.306 118 R C 0.850 176.645 176.300 -0.842 0.000 0.958 118 R CA -0.442 55.362 56.100 -0.492 0.000 0.861 118 R CB 1.491 31.655 30.300 -0.227 0.000 1.171 118 R HN 0.723 nan 8.270 nan 0.000 0.445 119 T N 1.222 115.443 114.554 -0.554 0.000 2.915 119 T HA -0.100 4.253 4.350 0.005 0.000 0.269 119 T C 1.802 176.380 174.700 -0.204 0.000 1.071 119 T CA 1.778 63.672 62.100 -0.342 0.000 1.132 119 T CB -0.016 68.810 68.868 -0.069 0.000 0.878 119 T HN 0.667 nan 8.240 nan 0.000 0.479 120 A N 2.019 124.733 122.820 -0.177 0.000 1.892 120 A HA -0.153 4.170 4.320 0.005 0.000 0.218 120 A C 1.914 179.414 177.584 -0.139 0.000 1.188 120 A CA 2.381 54.341 52.037 -0.128 0.000 0.631 120 A CB -0.464 18.470 19.000 -0.110 0.000 0.822 120 A HN 0.751 nan 8.150 nan 0.000 0.447 121 D N -4.448 115.848 120.400 -0.173 0.000 2.500 121 D HA 0.307 4.950 4.640 0.005 0.000 0.218 121 D C 1.124 177.330 176.300 -0.156 0.000 1.140 121 D CA 0.993 54.901 54.000 -0.153 0.000 0.830 121 D CB -0.498 40.214 40.800 -0.148 0.000 1.055 121 D HN 0.949 nan 8.370 nan 0.000 0.512 122 G N 0.799 109.464 108.800 -0.225 0.000 2.184 122 G HA2 -0.350 3.613 3.960 0.005 0.000 0.264 122 G HA3 -0.350 3.613 3.960 0.005 0.000 0.264 122 G C 0.399 175.251 174.900 -0.079 0.000 0.975 122 G CA 0.247 45.258 45.100 -0.147 0.000 0.642 122 G HN 0.448 nan 8.290 nan 0.000 0.536 123 R N 0.282 120.688 120.500 -0.157 0.000 2.649 123 R HA 0.512 4.855 4.340 0.005 0.000 0.270 123 R C 1.319 177.594 176.300 -0.042 0.000 1.105 123 R CA 0.424 56.457 56.100 -0.111 0.000 1.193 123 R CB 0.157 30.336 30.300 -0.202 0.000 1.120 123 R HN 1.404 nan 8.270 nan 0.000 0.561 124 G N -0.501 108.322 108.800 0.039 0.000 2.752 124 G HA2 0.088 4.051 3.960 0.005 0.000 0.234 124 G HA3 0.088 4.051 3.960 0.005 0.000 0.234 124 G C 0.161 175.172 174.900 0.184 0.000 1.367 124 G CA -0.288 44.928 45.100 0.194 0.000 0.879 124 G HN 1.159 nan 8.290 nan 0.000 0.563 125 G N -3.015 105.861 108.800 0.127 0.000 2.592 125 G HA2 0.453 4.416 3.960 0.005 0.000 0.684 125 G HA3 0.453 4.416 3.960 0.005 0.000 0.684 125 G C 0.843 175.689 174.900 -0.089 0.000 1.291 125 G CA 1.075 46.184 45.100 0.015 0.000 0.891 125 G HN 2.462 nan 8.290 nan 0.000 0.544 126 A N -0.512 122.209 122.820 -0.165 0.000 2.178 126 A HA 0.526 4.850 4.320 0.005 0.000 0.211 126 A C 2.531 180.012 177.584 -0.171 0.000 1.157 126 A CA 1.713 53.642 52.037 -0.179 0.000 0.780 126 A CB -0.400 18.463 19.000 -0.227 0.000 0.828 126 A HN 2.291 nan 8.150 nan 0.000 0.476 127 G N -0.181 108.517 108.800 -0.170 0.000 2.509 127 G HA2 -0.097 3.866 3.960 0.005 0.000 0.218 127 G HA3 -0.097 3.866 3.960 0.005 0.000 0.218 127 G C 1.026 175.839 174.900 -0.146 0.000 1.124 127 G CA 0.915 45.911 45.100 -0.173 0.000 0.776 127 G HN 0.642 nan 8.290 nan 0.000 0.547 128 E N -0.919 119.206 120.200 -0.124 0.000 2.630 128 E HA 0.295 4.648 4.350 0.005 0.000 0.218 128 E C 1.347 177.878 176.600 -0.116 0.000 0.977 128 E CA 0.038 56.363 56.400 -0.125 0.000 1.038 128 E CB 0.673 30.307 29.700 -0.110 0.000 1.051 128 E HN 0.253 nan 8.360 nan 0.000 0.487 129 G N 2.364 111.091 108.800 -0.121 0.000 2.283 129 G HA2 -0.332 3.631 3.960 0.005 0.000 0.280 129 G HA3 -0.332 3.631 3.960 0.005 0.000 0.280 129 G C 0.871 175.664 174.900 -0.178 0.000 1.029 129 G CA 0.294 45.310 45.100 -0.141 0.000 0.840 129 G HN 0.211 nan 8.290 nan 0.000 0.505 130 Q N -0.821 118.920 119.800 -0.099 0.000 2.488 130 Q HA -0.037 4.306 4.340 0.005 0.000 0.211 130 Q C 2.326 178.223 176.000 -0.170 0.000 0.967 130 Q CA 1.201 56.990 55.803 -0.022 0.000 0.926 130 Q CB 0.017 28.777 28.738 0.036 0.000 0.992 130 Q HN 0.899 nan 8.270 nan 0.000 0.506 131 Q N 1.207 120.853 119.800 -0.257 0.000 2.297 131 Q HA -0.166 4.177 4.340 0.005 0.000 0.208 131 Q C 1.779 177.558 176.000 -0.368 0.000 0.981 131 Q CA 1.047 56.665 55.803 -0.307 0.000 0.876 131 Q CB 0.124 28.709 28.738 -0.254 0.000 0.921 131 Q HN 0.359 nan 8.270 nan 0.000 0.446 132 R N -1.222 118.953 120.500 -0.541 0.000 2.299 132 R HA 0.080 4.423 4.340 0.005 0.000 0.197 132 R C -0.243 175.626 176.300 -0.717 0.000 0.971 132 R CA 0.010 55.668 56.100 -0.736 0.000 1.030 132 R CB 0.121 29.765 30.300 -1.092 0.000 0.932 132 R HN 0.027 nan 8.270 nan 0.000 0.477 133 F N 0.746 120.559 119.950 -0.229 0.000 2.557 133 F HA 0.591 5.121 4.527 0.005 0.000 0.336 133 F C 0.594 176.299 175.800 -0.157 0.000 1.058 133 F CA -1.558 56.343 58.000 -0.165 0.000 0.988 133 F CB 1.140 40.070 39.000 -0.117 0.000 1.275 133 F HN -0.082 nan 8.300 nan 0.000 0.488 134 A N 1.819 124.710 122.820 0.118 0.000 2.445 134 A HA 0.311 4.634 4.320 0.005 0.000 0.242 134 A C -1.796 175.824 177.584 0.060 0.000 1.075 134 A CA -0.993 51.072 52.037 0.047 0.000 0.777 134 A CB -0.234 18.803 19.000 0.062 0.000 1.013 134 A HN 0.557 nan 8.150 nan 0.000 0.493 135 P HA 0.049 nan 4.420 nan 0.000 0.245 135 P C 1.143 178.285 177.300 -0.264 0.000 1.203 135 P CA 0.412 63.534 63.100 0.035 0.000 0.792 135 P CB 0.120 31.982 31.700 0.271 0.000 0.997 136 L N 0.941 121.826 121.223 -0.563 0.000 2.131 136 L HA -0.155 4.188 4.340 0.005 0.000 0.210 136 L C 2.211 178.813 176.870 -0.447 0.000 1.092 136 L CA 1.688 55.967 54.840 -0.935 0.000 0.759 136 L CB -1.215 40.310 42.059 -0.891 0.000 0.903 136 L HN 0.126 nan 8.230 nan 0.000 0.435 137 N N -1.324 117.218 118.700 -0.263 0.000 2.520 137 N HA -0.140 4.603 4.740 0.005 0.000 0.185 137 N C 1.152 176.637 175.510 -0.042 0.000 1.068 137 N CA 1.130 54.084 53.050 -0.160 0.000 0.911 137 N CB -0.235 38.135 38.487 -0.195 0.000 0.961 137 N HN 0.082 nan 8.380 nan 0.000 0.446 138 S N -1.703 113.962 115.700 -0.058 0.000 2.780 138 S HA 0.174 4.647 4.470 0.005 0.000 0.248 138 S C -0.721 173.885 174.600 0.011 0.000 1.036 138 S CA -0.790 57.363 58.200 -0.079 0.000 1.061 138 S CB 0.074 63.146 63.200 -0.212 0.000 1.037 138 S HN 0.241 nan 8.310 nan 0.000 0.584 139 W N 3.332 124.503 121.300 -0.215 0.000 2.223 139 W HA 0.241 4.904 4.660 0.004 0.000 0.334 139 W C -2.013 174.385 176.519 -0.202 0.000 1.334 139 W CA -1.974 55.144 57.345 -0.379 0.000 1.246 139 W CB -0.229 29.065 29.460 -0.276 0.000 1.184 139 W HN 0.108 nan 8.180 nan 0.000 0.563 140 P HA -0.223 nan 4.420 nan 0.000 0.216 140 P C 1.210 178.438 177.300 -0.120 0.000 1.150 140 P CA 1.823 64.862 63.100 -0.102 0.000 0.843 140 P CB 0.336 31.959 31.700 -0.129 0.000 0.787 141 D N -1.627 118.756 120.400 -0.029 0.000 2.310 141 D HA -0.074 4.569 4.640 0.005 0.000 0.212 141 D C 0.914 177.293 176.300 0.131 0.000 0.965 141 D CA 0.739 54.770 54.000 0.051 0.000 0.879 141 D CB -0.578 40.239 40.800 0.028 0.000 0.921 141 D HN 0.028 nan 8.370 nan 0.000 0.510 142 N N 0.023 118.754 118.700 0.051 0.000 2.276 142 N HA 0.162 4.905 4.740 0.005 0.000 0.212 142 N C -0.345 174.924 175.510 -0.401 0.000 1.127 142 N CA -0.072 52.970 53.050 -0.014 0.000 0.834 142 N CB 0.326 38.849 38.487 0.060 0.000 1.014 142 N HN 0.003 nan 8.380 nan 0.000 0.491 143 A N 1.103 123.410 122.820 -0.855 0.000 2.567 143 A HA 0.066 4.389 4.320 0.005 0.000 0.240 143 A C 0.917 177.947 177.584 -0.924 0.000 1.053 143 A CA 0.089 51.035 52.037 -1.819 0.000 0.755 143 A CB -0.084 18.003 19.000 -1.521 0.000 0.978 143 A HN 0.462 nan 8.150 nan 0.000 0.507 144 N N 0.151 118.378 118.700 -0.788 0.000 2.900 144 N HA -0.183 4.560 4.740 0.005 0.000 0.240 144 N C 0.676 175.984 175.510 -0.335 0.000 0.953 144 N CA 1.505 54.281 53.050 -0.457 0.000 0.950 144 N CB -1.295 36.896 38.487 -0.493 0.000 1.102 144 N HN 0.688 nan 8.380 nan 0.000 0.593 145 L N 1.036 122.122 121.223 -0.228 0.000 2.465 145 L HA -0.092 4.251 4.340 0.005 0.000 0.224 145 L C 2.129 178.953 176.870 -0.075 0.000 1.145 145 L CA 1.209 55.973 54.840 -0.127 0.000 0.834 145 L CB -0.329 41.667 42.059 -0.103 0.000 0.944 145 L HN 0.226 nan 8.230 nan 0.000 0.451 146 D N 0.157 120.541 120.400 -0.027 0.000 2.144 146 D HA -0.216 4.427 4.640 0.005 0.000 0.199 146 D C 1.677 177.934 176.300 -0.072 0.000 0.984 146 D CA 1.049 55.025 54.000 -0.040 0.000 0.834 146 D CB -0.143 40.672 40.800 0.024 0.000 0.955 146 D HN 0.153 nan 8.370 nan 0.000 0.465 147 K N 1.334 121.635 120.400 -0.164 0.000 2.026 147 K HA 0.039 4.362 4.320 0.005 0.000 0.208 147 K C 2.402 179.005 176.600 0.003 0.000 1.048 147 K CA 1.333 57.545 56.287 -0.124 0.000 0.929 147 K CB -1.011 31.055 32.500 -0.724 0.000 0.713 147 K HN 0.283 nan 8.250 nan 0.000 0.439 148 A N 1.955 124.733 122.820 -0.069 0.000 1.883 148 A HA -0.201 4.122 4.320 0.005 0.000 0.217 148 A C 2.274 180.031 177.584 0.289 0.000 1.186 148 A CA 1.690 53.771 52.037 0.074 0.000 0.624 148 A CB -0.452 18.592 19.000 0.073 0.000 0.822 148 A HN 0.289 nan 8.150 nan 0.000 0.444 149 R N -1.432 119.170 120.500 0.169 0.000 2.092 149 R HA -0.092 4.251 4.340 0.005 0.000 0.231 149 R C 2.393 178.874 176.300 0.302 0.000 1.119 149 R CA 1.359 57.574 56.100 0.192 0.000 0.970 149 R CB -0.259 29.978 30.300 -0.105 0.000 0.864 149 R HN 0.411 nan 8.270 nan 0.000 0.440 150 R N 1.456 122.090 120.500 0.223 0.000 2.120 150 R HA -0.042 4.301 4.340 0.005 0.000 0.234 150 R C 1.940 178.525 176.300 0.475 0.000 1.123 150 R CA 1.236 57.511 56.100 0.292 0.000 0.975 150 R CB -0.593 29.783 30.300 0.127 0.000 0.866 150 R HN 0.196 nan 8.270 nan 0.000 0.446 151 L N -0.160 121.345 121.223 0.469 0.000 2.191 151 L HA -0.109 4.234 4.340 0.005 0.000 0.212 151 L C 1.770 178.839 176.870 0.333 0.000 1.103 151 L CA 0.885 55.957 54.840 0.386 0.000 0.769 151 L CB -0.222 41.941 42.059 0.172 0.000 0.908 151 L HN 0.204 nan 8.230 nan 0.000 0.438 152 L N -1.749 119.691 121.223 0.361 0.000 2.558 152 L HA -0.112 4.231 4.340 0.005 0.000 0.225 152 L C 2.181 179.208 176.870 0.262 0.000 1.128 152 L CA 0.163 55.150 54.840 0.246 0.000 0.868 152 L CB -0.375 41.829 42.059 0.242 0.000 1.006 152 L HN 0.486 nan 8.230 nan 0.000 0.454 153 W N 2.999 124.445 121.300 0.243 0.000 2.335 153 W HA -0.172 4.491 4.660 0.005 0.000 0.311 153 W C -0.951 175.607 176.519 0.065 0.000 1.213 153 W CA 1.203 58.662 57.345 0.189 0.000 1.274 153 W CB -1.053 28.552 29.460 0.242 0.000 1.148 153 W HN 0.105 nan 8.180 nan 0.000 0.498 154 P HA -0.198 nan 4.420 nan 0.000 0.216 154 P C 1.684 178.778 177.300 -0.343 0.000 1.150 154 P CA 2.111 64.973 63.100 -0.397 0.000 0.837 154 P CB -0.298 31.327 31.700 -0.126 0.000 0.786 155 I N -0.835 119.630 120.570 -0.176 0.000 2.202 155 I HA -0.248 3.925 4.170 0.005 0.000 0.242 155 I C 2.394 178.441 176.117 -0.118 0.000 1.091 155 I CA 1.352 62.605 61.300 -0.078 0.000 1.368 155 I CB -0.359 37.640 38.000 -0.002 0.000 1.058 155 I HN -0.136 nan 8.210 nan 0.000 0.410 156 K N 1.159 121.395 120.400 -0.274 0.000 2.032 156 K HA -0.279 4.044 4.320 0.005 0.000 0.209 156 K C 2.158 178.558 176.600 -0.332 0.000 1.048 156 K CA 1.763 57.837 56.287 -0.354 0.000 0.927 156 K CB -0.352 31.767 32.500 -0.635 0.000 0.712 156 K HN 0.276 nan 8.250 nan 0.000 0.441 157 Q N 0.311 119.687 119.800 -0.708 0.000 2.096 157 Q HA -0.239 4.104 4.340 0.005 0.000 0.204 157 Q C 2.033 177.790 176.000 -0.404 0.000 0.982 157 Q CA 1.996 57.342 55.803 -0.762 0.000 0.850 157 Q CB -0.140 27.786 28.738 -1.353 0.000 0.901 157 Q HN 0.340 nan 8.270 nan 0.000 0.422 158 K N -0.815 119.341 120.400 -0.407 0.000 2.057 158 K HA -0.177 4.146 4.320 0.005 0.000 0.207 158 K C 1.370 177.682 176.600 -0.480 0.000 1.049 158 K CA 1.555 57.568 56.287 -0.456 0.000 0.931 158 K CB -0.076 32.076 32.500 -0.580 0.000 0.714 158 K HN 0.315 nan 8.250 nan 0.000 0.440 159 Y N -0.225 119.998 120.300 -0.128 0.000 2.497 159 Y HA 0.166 4.720 4.550 0.005 0.000 0.265 159 Y C 1.473 177.357 175.900 -0.026 0.000 1.111 159 Y CA 0.224 58.282 58.100 -0.070 0.000 1.288 159 Y CB 0.581 39.002 38.460 -0.064 0.000 1.082 159 Y HN 0.382 nan 8.280 nan 0.000 0.536 160 G N 1.680 110.518 108.800 0.063 0.000 2.574 160 G HA2 -0.419 3.544 3.960 0.005 0.000 0.286 160 G HA3 -0.419 3.544 3.960 0.005 0.000 0.286 160 G C 1.192 176.186 174.900 0.156 0.000 1.212 160 G CA 0.601 45.750 45.100 0.081 0.000 0.979 160 G HN 0.446 nan 8.290 nan 0.000 0.557 161 R N 0.831 121.439 120.500 0.180 0.000 2.237 161 R HA 0.342 4.685 4.340 0.005 0.000 0.219 161 R C 2.578 179.162 176.300 0.473 0.000 1.080 161 R CA 1.954 58.220 56.100 0.277 0.000 0.995 161 R CB -0.439 29.953 30.300 0.154 0.000 0.875 161 R HN 1.130 nan 8.270 nan 0.000 0.462 162 A N 1.492 124.522 122.820 0.351 0.000 2.121 162 A HA 0.099 4.422 4.320 0.005 0.000 0.218 162 A C 1.193 179.023 177.584 0.410 0.000 1.154 162 A CA 0.553 52.782 52.037 0.319 0.000 0.679 162 A CB -0.042 19.064 19.000 0.177 0.000 0.795 162 A HN 0.440 nan 8.150 nan 0.000 0.458 163 I N 0.677 121.489 120.570 0.403 0.000 2.478 163 I HA 0.275 4.448 4.170 0.005 0.000 0.287 163 I C 0.074 176.361 176.117 0.284 0.000 1.042 163 I CA -0.700 60.860 61.300 0.433 0.000 1.067 163 I CB 1.912 40.040 38.000 0.214 0.000 1.233 163 I HN 0.199 nan 8.210 nan 0.000 0.431 164 S N 4.571 120.423 115.700 0.254 0.000 2.585 164 S HA 0.112 4.585 4.470 0.005 0.000 0.273 164 S C 0.753 175.358 174.600 0.008 0.000 1.339 164 S CA -0.253 57.922 58.200 -0.041 0.000 1.028 164 S CB 0.693 63.657 63.200 -0.392 0.000 0.906 164 S HN 0.815 nan 8.310 nan 0.000 0.528 165 W N 1.523 122.793 121.300 -0.050 0.000 2.321 165 W HA -0.154 4.508 4.660 0.005 0.000 0.306 165 W C 2.792 179.254 176.519 -0.094 0.000 1.217 165 W CA 1.493 58.799 57.345 -0.064 0.000 1.257 165 W CB -0.682 28.696 29.460 -0.137 0.000 1.145 165 W HN 0.945 nan 8.180 nan 0.000 0.509 166 A N 0.175 123.054 122.820 0.097 0.000 1.873 166 A HA -0.281 4.042 4.320 0.005 0.000 0.218 166 A C 1.686 179.273 177.584 0.005 0.000 1.193 166 A CA 2.385 54.414 52.037 -0.013 0.000 0.629 166 A CB -0.999 17.934 19.000 -0.113 0.000 0.826 166 A HN 0.202 nan 8.150 nan 0.000 0.447 167 D N -0.805 119.614 120.400 0.032 0.000 2.117 167 D HA -0.088 4.555 4.640 0.005 0.000 0.198 167 D C 1.837 178.244 176.300 0.179 0.000 0.982 167 D CA 1.107 55.189 54.000 0.137 0.000 0.828 167 D CB -0.357 40.566 40.800 0.205 0.000 0.967 167 D HN 0.321 nan 8.370 nan 0.000 0.464 168 L N 0.640 121.928 121.223 0.108 0.000 2.083 168 L HA -0.083 4.260 4.340 0.005 0.000 0.209 168 L C 2.088 178.980 176.870 0.037 0.000 1.083 168 L CA 1.252 56.111 54.840 0.031 0.000 0.752 168 L CB -0.405 41.623 42.059 -0.052 0.000 0.899 168 L HN 0.022 nan 8.230 nan 0.000 0.433 169 L N -1.247 120.038 121.223 0.104 0.000 2.046 169 L HA -0.222 4.121 4.340 0.005 0.000 0.208 169 L C 2.462 179.380 176.870 0.079 0.000 1.077 169 L CA 0.872 55.769 54.840 0.096 0.000 0.747 169 L CB -0.661 41.454 42.059 0.093 0.000 0.896 169 L HN 0.253 nan 8.230 nan 0.000 0.432 170 I N -0.314 120.308 120.570 0.086 0.000 2.202 170 I HA -0.256 3.917 4.170 0.005 0.000 0.242 170 I C 2.543 178.742 176.117 0.137 0.000 1.091 170 I CA 1.280 62.661 61.300 0.134 0.000 1.368 170 I CB -1.036 37.028 38.000 0.107 0.000 1.058 170 I HN 0.232 nan 8.210 nan 0.000 0.410 171 L N 0.918 122.125 121.223 -0.026 0.000 2.042 171 L HA -0.214 4.129 4.340 0.005 0.000 0.210 171 L C 2.477 179.217 176.870 -0.217 0.000 1.076 171 L CA 2.072 56.667 54.840 -0.409 0.000 0.749 171 L CB -0.979 40.739 42.059 -0.568 0.000 0.893 171 L HN 0.192 nan 8.230 nan 0.000 0.432 172 T N -0.669 113.790 114.554 -0.159 0.000 2.720 172 T HA -0.129 4.224 4.350 0.005 0.000 0.268 172 T C 1.717 176.369 174.700 -0.081 0.000 1.037 172 T CA 1.237 63.206 62.100 -0.219 0.000 1.144 172 T CB -0.953 67.692 68.868 -0.372 0.000 0.864 172 T HN 0.607 nan 8.240 nan 0.000 0.444 173 G N 1.720 110.580 108.800 0.100 0.000 2.421 173 G HA2 -0.269 3.694 3.960 0.005 0.000 0.216 173 G HA3 -0.269 3.694 3.960 0.005 0.000 0.216 173 G C 1.629 176.615 174.900 0.144 0.000 1.171 173 G CA 0.896 46.149 45.100 0.254 0.000 0.775 173 G HN 0.402 nan 8.290 nan 0.000 0.543 174 N N 0.176 118.997 118.700 0.203 0.000 2.104 174 N HA -0.112 4.631 4.740 0.005 0.000 0.190 174 N C 2.227 177.708 175.510 -0.048 0.000 1.024 174 N CA 1.216 54.337 53.050 0.117 0.000 0.853 174 N CB -0.467 38.099 38.487 0.132 0.000 1.008 174 N HN 0.196 nan 8.380 nan 0.000 0.424 175 V N 0.732 120.568 119.914 -0.129 0.000 2.427 175 V HA -0.135 3.988 4.120 0.005 0.000 0.248 175 V C 2.234 178.197 176.094 -0.219 0.000 1.051 175 V CA 1.597 63.743 62.300 -0.257 0.000 1.048 175 V CB -0.968 30.631 31.823 -0.374 0.000 0.666 175 V HN 0.332 nan 8.190 nan 0.000 0.456 176 A N 0.079 122.838 122.820 -0.101 0.000 1.883 176 A HA -0.214 4.109 4.320 0.005 0.000 0.217 176 A C 2.221 179.722 177.584 -0.139 0.000 1.186 176 A CA 2.055 54.087 52.037 -0.007 0.000 0.624 176 A CB -0.620 18.436 19.000 0.093 0.000 0.822 176 A HN 0.487 nan 8.150 nan 0.000 0.444 177 L N -0.848 120.224 121.223 -0.252 0.000 1.989 177 L HA -0.259 4.084 4.340 0.005 0.000 0.211 177 L C 2.678 179.518 176.870 -0.050 0.000 1.071 177 L CA 2.016 56.678 54.840 -0.295 0.000 0.749 177 L CB -0.663 41.190 42.059 -0.343 0.000 0.890 177 L HN 0.477 nan 8.230 nan 0.000 0.431 178 E N -0.688 119.505 120.200 -0.012 0.000 2.058 178 E HA -0.253 4.100 4.350 0.005 0.000 0.194 178 E C 2.327 179.027 176.600 0.166 0.000 0.997 178 E CA 1.523 57.967 56.400 0.074 0.000 0.801 178 E CB -0.192 29.563 29.700 0.092 0.000 0.746 178 E HN 0.302 nan 8.360 nan 0.000 0.450 179 S N 0.234 116.034 115.700 0.166 0.000 2.387 179 S HA -0.165 4.308 4.470 0.005 0.000 0.230 179 S C 1.711 176.452 174.600 0.234 0.000 1.035 179 S CA 1.224 59.598 58.200 0.291 0.000 1.014 179 S CB -0.075 63.301 63.200 0.293 0.000 0.836 179 S HN 0.189 nan 8.310 nan 0.000 0.466 180 M N 0.153 119.832 119.600 0.133 0.000 2.505 180 M HA 0.251 4.734 4.480 0.005 0.000 0.230 180 M C 1.235 177.704 176.300 0.281 0.000 1.153 180 M CA 0.550 55.936 55.300 0.143 0.000 0.997 180 M CB 0.497 33.133 32.600 0.060 0.000 1.606 180 M HN 0.529 nan 8.290 nan 0.000 0.481 181 G N 1.304 110.242 108.800 0.230 0.000 2.144 181 G HA2 -0.263 3.700 3.960 0.005 0.000 0.218 181 G HA3 -0.263 3.700 3.960 0.005 0.000 0.218 181 G C -0.372 174.651 174.900 0.206 0.000 0.988 181 G CA -0.599 44.639 45.100 0.230 0.000 0.659 181 G HN 0.459 nan 8.290 nan 0.000 0.522 182 F N 1.464 121.392 119.950 -0.037 0.000 2.411 182 F HA 0.712 5.242 4.527 0.005 0.000 0.352 182 F C 0.362 176.016 175.800 -0.243 0.000 1.123 182 F CA -1.593 56.227 58.000 -0.301 0.000 1.044 182 F CB 1.368 40.128 39.000 -0.399 0.000 1.135 182 F HN -0.004 nan 8.300 nan 0.000 0.461 183 K N 4.853 124.781 120.400 -0.788 0.000 2.338 183 K HA 0.222 4.545 4.320 0.005 0.000 0.290 183 K C -0.087 176.135 176.600 -0.629 0.000 1.069 183 K CA -0.178 55.783 56.287 -0.543 0.000 0.941 183 K CB 0.238 32.479 32.500 -0.430 0.000 1.023 183 K HN 0.711 nan 8.250 nan 0.000 0.477 184 T N 1.359 115.780 114.554 -0.221 0.000 2.882 184 T HA 0.156 4.509 4.350 0.005 0.000 0.287 184 T C 0.797 175.520 174.700 0.037 0.000 1.014 184 T CA -0.589 61.510 62.100 -0.002 0.000 1.049 184 T CB 0.577 69.539 68.868 0.157 0.000 1.001 184 T HN 0.514 nan 8.240 nan 0.000 0.525 185 F N 1.129 121.064 119.950 -0.025 0.000 2.558 185 F HA 0.408 4.938 4.527 0.005 0.000 0.298 185 F C 1.201 176.886 175.800 -0.190 0.000 1.119 185 F CA 0.980 58.910 58.000 -0.117 0.000 1.451 185 F CB -0.342 38.600 39.000 -0.097 0.000 1.091 185 F HN 1.191 nan 8.300 nan 0.000 0.563 186 G N -0.820 107.996 108.800 0.025 0.000 2.356 186 G HA2 0.319 4.282 3.960 0.005 0.000 0.300 186 G HA3 0.319 4.282 3.960 0.005 0.000 0.300 186 G C -2.187 172.941 174.900 0.379 0.000 1.331 186 G CA -0.574 44.514 45.100 -0.019 0.000 0.905 186 G HN 0.163 nan 8.290 nan 0.000 0.587 187 F N 0.251 120.321 119.950 0.199 0.000 2.635 187 F HA 0.767 5.298 4.527 0.006 0.000 0.314 187 F C -0.562 175.411 175.800 0.289 0.000 1.119 187 F CA -0.051 58.154 58.000 0.343 0.000 1.000 187 F CB 1.701 40.853 39.000 0.254 0.000 1.278 187 F HN 1.329 nan 8.300 nan 0.000 0.446 188 A N 3.529 126.076 122.820 -0.455 0.000 2.342 188 A HA 0.814 5.137 4.320 0.005 0.000 0.323 188 A C -0.176 176.714 177.584 -1.157 0.000 1.125 188 A CA -0.149 51.543 52.037 -0.575 0.000 0.785 188 A CB 0.942 19.637 19.000 -0.508 0.000 1.221 188 A HN 1.256 nan 8.150 nan 0.000 0.463 189 G N -0.416 107.900 108.800 -0.806 0.000 2.535 189 G HA2 0.568 4.531 3.960 0.005 0.000 0.303 189 G HA3 0.568 4.531 3.960 0.005 0.000 0.303 189 G C 0.823 175.276 174.900 -0.746 0.000 1.237 189 G CA -0.168 44.319 45.100 -1.022 0.000 0.986 189 G HN 2.175 nan 8.290 nan 0.000 0.494 190 G N -1.514 106.929 108.800 -0.594 0.000 2.183 190 G HA2 -0.185 3.778 3.960 0.005 0.000 0.168 190 G HA3 -0.185 3.778 3.960 0.005 0.000 0.168 190 G C 0.380 175.279 174.900 -0.002 0.000 1.008 190 G CA -0.325 44.664 45.100 -0.185 0.000 0.677 190 G HN 0.711 nan 8.290 nan 0.000 0.498 191 R N 1.155 121.607 120.500 -0.082 0.000 2.272 191 R HA 0.571 4.914 4.340 0.005 0.000 0.334 191 R C 0.870 177.033 176.300 -0.228 0.000 1.117 191 R CA 0.475 56.491 56.100 -0.140 0.000 0.966 191 R CB 0.829 31.015 30.300 -0.190 0.000 1.049 191 R HN 0.470 nan 8.270 nan 0.000 0.477 192 A N 3.256 125.964 122.820 -0.186 0.000 2.477 192 A HA 0.049 4.372 4.320 0.005 0.000 0.246 192 A C -0.048 177.363 177.584 -0.289 0.000 1.078 192 A CA -0.438 51.401 52.037 -0.330 0.000 0.770 192 A CB 0.272 19.260 19.000 -0.021 0.000 1.011 192 A HN 0.555 nan 8.150 nan 0.000 0.494 193 D N 0.947 121.147 120.400 -0.334 0.000 2.382 193 D HA 0.370 5.013 4.640 0.005 0.000 0.240 193 D C 0.864 176.873 176.300 -0.485 0.000 1.146 193 D CA 0.983 54.750 54.000 -0.389 0.000 0.897 193 D CB 0.948 41.450 40.800 -0.497 0.000 1.197 193 D HN 0.702 nan 8.370 nan 0.000 0.432 194 T N -2.079 112.123 114.554 -0.588 0.000 2.940 194 T HA 0.535 4.888 4.350 0.005 0.000 0.288 194 T C 0.090 174.337 174.700 -0.755 0.000 1.045 194 T CA -0.815 60.979 62.100 -0.509 0.000 1.018 194 T CB 1.197 69.920 68.868 -0.240 0.000 1.151 194 T HN 0.539 nan 8.240 nan 0.000 0.529 195 W N 0.119 121.476 121.300 0.094 0.000 2.534 195 W HA 0.330 4.994 4.660 0.005 0.000 0.339 195 W C 0.497 176.768 176.519 -0.412 0.000 0.961 195 W CA -0.657 56.688 57.345 -0.001 0.000 1.545 195 W CB 0.666 30.169 29.460 0.071 0.000 1.104 195 W HN 0.967 nan 8.180 nan 0.000 0.538 196 E N -0.561 119.345 120.200 -0.490 0.000 2.430 196 E HA 0.407 4.760 4.350 0.005 0.000 0.279 196 E C -2.930 173.320 176.600 -0.583 0.000 1.003 196 E CA -2.609 53.400 56.400 -0.651 0.000 0.801 196 E CB 1.850 31.379 29.700 -0.286 0.000 1.313 196 E HN -0.381 nan 8.360 nan 0.000 0.459 197 P HA 0.009 nan 4.420 nan 0.000 0.265 197 P C -0.664 176.647 177.300 0.017 0.000 1.193 197 P CA 0.191 63.222 63.100 -0.115 0.000 0.765 197 P CB 0.428 32.110 31.700 -0.031 0.000 0.823 198 E N 2.048 122.318 120.200 0.117 0.000 2.373 198 E HA 0.088 4.441 4.350 0.005 0.000 0.263 198 E C -0.207 176.447 176.600 0.090 0.000 1.073 198 E CA 0.107 56.599 56.400 0.153 0.000 0.894 198 E CB 0.433 30.204 29.700 0.118 0.000 1.008 198 E HN 0.399 nan 8.360 nan 0.000 0.420 199 D N 1.894 122.323 120.400 0.049 0.000 2.380 199 D HA 0.213 4.856 4.640 0.005 0.000 0.230 199 D C -0.551 175.703 176.300 -0.076 0.000 1.154 199 D CA -0.103 53.899 54.000 0.003 0.000 0.859 199 D CB 1.044 41.839 40.800 -0.008 0.000 1.045 199 D HN -0.026 nan 8.370 nan 0.000 0.495 200 V N 2.998 122.811 119.914 -0.169 0.000 2.709 200 V HA 0.111 4.234 4.120 0.005 0.000 0.308 200 V C -0.539 175.241 176.094 -0.523 0.000 1.062 200 V CA -1.105 60.897 62.300 -0.496 0.000 0.901 200 V CB 1.961 33.168 31.823 -1.026 0.000 1.003 200 V HN 0.387 nan 8.190 nan 0.000 0.425 201 Y N 3.017 123.026 120.300 -0.486 0.000 2.531 201 Y HA 0.228 4.781 4.550 0.005 0.000 0.347 201 Y C 0.256 175.939 175.900 -0.362 0.000 1.024 201 Y CA -0.515 57.399 58.100 -0.310 0.000 1.306 201 Y CB 0.602 38.947 38.460 -0.193 0.000 1.149 201 Y HN 0.776 nan 8.280 nan 0.000 0.527 202 W N 4.320 125.400 121.300 -0.366 0.000 3.220 202 W HA 0.466 5.129 4.660 0.005 0.000 0.328 202 W C 0.819 177.006 176.519 -0.553 0.000 1.205 202 W CA 0.478 57.653 57.345 -0.282 0.000 1.773 202 W CB 0.421 29.920 29.460 0.065 0.000 1.086 202 W HN 0.975 nan 8.180 nan 0.000 0.622 203 G N -0.521 107.666 108.800 -1.022 0.000 2.355 203 G HA2 -0.056 3.907 3.960 0.005 0.000 0.619 203 G HA3 -0.056 3.907 3.960 0.005 0.000 0.619 203 G C -0.026 174.629 174.900 -0.408 0.000 1.337 203 G CA -0.356 44.314 45.100 -0.716 0.000 0.993 203 G HN -0.217 nan 8.290 nan 0.000 0.599 204 S N -0.208 115.435 115.700 -0.095 0.000 2.559 204 S HA 0.254 4.727 4.470 0.005 0.000 0.226 204 S C 0.574 175.148 174.600 -0.043 0.000 1.000 204 S CA 0.209 58.425 58.200 0.026 0.000 0.948 204 S CB 0.327 63.609 63.200 0.136 0.000 0.870 204 S HN 0.586 nan 8.310 nan 0.000 0.497 205 E N 1.886 122.028 120.200 -0.096 0.000 2.398 205 E HA 0.155 4.508 4.350 0.005 0.000 0.263 205 E C 0.564 177.056 176.600 -0.180 0.000 1.046 205 E CA 0.091 56.423 56.400 -0.114 0.000 0.908 205 E CB 0.439 30.068 29.700 -0.120 0.000 0.963 205 E HN -0.122 nan 8.360 nan 0.000 0.431 206 K N 1.747 122.050 120.400 -0.161 0.000 2.399 206 K HA 0.318 4.641 4.320 0.005 0.000 0.204 206 K C -0.217 176.240 176.600 -0.238 0.000 1.023 206 K CA 0.087 56.255 56.287 -0.199 0.000 1.127 206 K CB 0.238 32.666 32.500 -0.121 0.000 0.856 206 K HN 0.434 nan 8.250 nan 0.000 0.514 207 I N 0.267 120.696 120.570 -0.235 0.000 2.499 207 I HA 0.261 4.434 4.170 0.005 0.000 0.288 207 I C -0.635 175.371 176.117 -0.184 0.000 1.048 207 I CA -1.077 60.121 61.300 -0.169 0.000 1.062 207 I CB 1.386 39.351 38.000 -0.057 0.000 1.238 207 I HN -0.054 nan 8.210 nan 0.000 0.426 208 W N 6.765 128.043 121.300 -0.037 0.000 2.295 208 W HA 0.180 4.843 4.660 0.005 0.000 0.335 208 W C 0.985 177.467 176.519 -0.062 0.000 1.351 208 W CA -0.046 57.260 57.345 -0.064 0.000 1.273 208 W CB 0.192 29.630 29.460 -0.037 0.000 1.214 208 W HN 0.465 nan 8.180 nan 0.000 0.563 209 L N 1.099 122.431 121.223 0.182 0.000 4.179 209 L HA -0.300 4.043 4.340 0.005 0.000 0.418 209 L C 0.735 177.638 176.870 0.054 0.000 1.168 209 L CA 0.269 55.159 54.840 0.083 0.000 0.972 209 L CB -1.762 40.349 42.059 0.087 0.000 2.005 209 L HN 0.555 nan 8.230 nan 0.000 0.935 210 E N 1.222 121.439 120.200 0.029 0.000 2.529 210 E HA 0.174 4.527 4.350 0.005 0.000 0.259 210 E C 0.352 176.976 176.600 0.041 0.000 0.966 210 E CA -0.164 56.250 56.400 0.023 0.000 0.937 210 E CB 0.534 30.231 29.700 -0.005 0.000 0.923 210 E HN 0.257 nan 8.360 nan 0.000 0.468 211 L N 3.096 124.346 121.223 0.044 0.000 2.464 211 L HA 0.097 4.440 4.340 0.005 0.000 0.264 211 L C 0.958 177.866 176.870 0.064 0.000 1.199 211 L CA -0.518 54.354 54.840 0.053 0.000 0.818 211 L CB 0.760 42.843 42.059 0.040 0.000 1.102 211 L HN 0.628 nan 8.230 nan 0.000 0.473 212 S N 0.070 115.817 115.700 0.078 0.000 2.580 212 S HA 0.339 4.812 4.470 0.005 0.000 0.266 212 S C 1.031 175.677 174.600 0.077 0.000 1.354 212 S CA -0.053 58.218 58.200 0.118 0.000 1.008 212 S CB 1.106 64.364 63.200 0.097 0.000 0.898 212 S HN 1.116 nan 8.310 nan 0.000 0.555 213 G N 0.251 109.109 108.800 0.096 0.000 2.159 213 G HA2 -0.083 3.880 3.960 0.005 0.000 0.256 213 G HA3 -0.083 3.880 3.960 0.005 0.000 0.256 213 G C 0.555 175.484 174.900 0.048 0.000 0.977 213 G CA 0.194 45.334 45.100 0.066 0.000 0.652 213 G HN 1.355 nan 8.290 nan 0.000 0.531 214 G N 0.164 108.992 108.800 0.046 0.000 2.553 214 G HA2 0.595 4.559 3.960 0.005 0.000 0.278 214 G HA3 0.595 4.559 3.960 0.005 0.000 0.278 214 G C -0.115 174.801 174.900 0.028 0.000 1.349 214 G CA 0.035 45.153 45.100 0.030 0.000 1.037 214 G HN 0.142 nan 8.290 nan 0.000 0.508 215 P HA -0.047 nan 4.420 nan 0.000 0.222 215 P C 0.415 177.726 177.300 0.019 0.000 1.147 215 P CA 0.885 63.995 63.100 0.016 0.000 0.790 215 P CB 0.314 32.019 31.700 0.007 0.000 0.780 216 N N -0.376 118.334 118.700 0.017 0.000 2.467 216 N HA 0.055 4.798 4.740 0.005 0.000 0.278 216 N C -0.195 175.333 175.510 0.030 0.000 1.306 216 N CA -0.031 53.032 53.050 0.022 0.000 0.905 216 N CB 0.431 38.921 38.487 0.006 0.000 1.236 216 N HN -0.025 nan 8.380 nan 0.000 0.509 217 S N 1.163 116.889 115.700 0.044 0.000 2.537 217 S HA -0.002 4.471 4.470 0.005 0.000 0.286 217 S C 1.575 176.203 174.600 0.047 0.000 1.299 217 S CA -0.312 57.928 58.200 0.067 0.000 1.067 217 S CB 0.618 63.876 63.200 0.095 0.000 0.864 217 S HN 0.468 nan 8.310 nan 0.000 0.494 218 R N 3.571 124.079 120.500 0.014 0.000 2.299 218 R HA 0.085 4.428 4.340 0.005 0.000 0.197 218 R C -0.507 175.629 176.300 -0.274 0.000 0.971 218 R CA 0.452 56.485 56.100 -0.112 0.000 1.030 218 R CB -0.149 30.042 30.300 -0.182 0.000 0.932 218 R HN 0.583 nan 8.270 nan 0.000 0.477 219 Y N 0.927 121.253 120.300 0.043 0.000 2.420 219 Y HA 0.397 4.950 4.550 0.005 0.000 0.334 219 Y C 0.279 176.202 175.900 0.038 0.000 1.094 219 Y CA -0.451 57.674 58.100 0.042 0.000 1.126 219 Y CB 2.127 40.611 38.460 0.040 0.000 1.217 219 Y HN 0.131 nan 8.280 nan 0.000 0.462 220 S N 0.246 116.069 115.700 0.206 0.000 2.638 220 S HA 0.848 5.321 4.470 0.005 0.000 0.274 220 S C 0.010 174.685 174.600 0.126 0.000 1.157 220 S CA -0.448 57.831 58.200 0.133 0.000 0.826 220 S CB 1.460 64.710 63.200 0.083 0.000 1.139 220 S HN 1.476 nan 8.310 nan 0.000 0.474 221 G N 1.523 110.375 108.800 0.086 0.000 2.566 221 G HA2 -0.248 3.715 3.960 0.005 0.000 0.280 221 G HA3 -0.248 3.715 3.960 0.005 0.000 0.280 221 G C -0.301 174.641 174.900 0.070 0.000 1.225 221 G CA 0.588 45.730 45.100 0.070 0.000 0.966 221 G HN 1.197 nan 8.290 nan 0.000 0.560 222 D N 1.182 121.621 120.400 0.066 0.000 2.608 222 D HA 0.359 5.002 4.640 0.005 0.000 0.224 222 D C 1.202 177.549 176.300 0.077 0.000 1.123 222 D CA 0.209 54.242 54.000 0.055 0.000 1.030 222 D CB -0.810 40.017 40.800 0.045 0.000 1.093 222 D HN 0.778 nan 8.370 nan 0.000 0.497 223 R N 1.399 121.950 120.500 0.085 0.000 3.251 223 R HA -0.196 4.147 4.340 0.005 0.000 0.249 223 R C -0.718 175.768 176.300 0.310 0.000 0.949 223 R CA 0.484 56.662 56.100 0.129 0.000 0.645 223 R CB -0.941 29.345 30.300 -0.023 0.000 1.065 223 R HN 0.358 nan 8.270 nan 0.000 0.452 224 Q N 1.197 121.172 119.800 0.291 0.000 2.322 224 Q HA 0.167 4.510 4.340 0.005 0.000 0.256 224 Q C -0.141 175.943 176.000 0.140 0.000 0.960 224 Q CA -0.627 55.298 55.803 0.204 0.000 0.934 224 Q CB 1.365 30.172 28.738 0.115 0.000 1.200 224 Q HN 0.279 nan 8.270 nan 0.000 0.435 225 L N 3.355 124.586 121.223 0.014 0.000 2.367 225 L HA 0.099 4.442 4.340 0.005 0.000 0.275 225 L C 0.417 177.197 176.870 -0.149 0.000 1.129 225 L CA 0.048 54.692 54.840 -0.327 0.000 0.839 225 L CB 0.574 42.485 42.059 -0.246 0.000 1.133 225 L HN 0.540 nan 8.230 nan 0.000 0.453 226 E N 3.142 123.245 120.200 -0.162 0.000 2.376 226 E HA 0.071 4.424 4.350 0.005 0.000 0.266 226 E C -0.659 175.924 176.600 -0.028 0.000 1.009 226 E CA -0.232 56.136 56.400 -0.055 0.000 0.902 226 E CB 0.120 29.810 29.700 -0.017 0.000 0.972 226 E HN 0.681 nan 8.360 nan 0.000 0.439 227 N N 3.623 122.310 118.700 -0.023 0.000 2.508 227 N HA 0.059 4.802 4.740 0.005 0.000 0.264 227 N C -1.714 173.785 175.510 -0.019 0.000 1.216 227 N CA -1.063 51.969 53.050 -0.029 0.000 0.943 227 N CB 0.710 39.163 38.487 -0.055 0.000 1.113 227 N HN 0.558 nan 8.380 nan 0.000 0.447 228 P HA 0.126 nan 4.420 nan 0.000 0.259 228 P C -0.649 176.651 177.300 -0.000 0.000 1.530 228 P CA 0.109 63.194 63.100 -0.026 0.000 1.022 228 P CB 0.299 31.963 31.700 -0.059 0.000 1.514 229 L N 0.266 121.508 121.223 0.032 0.000 2.452 229 L HA 0.433 4.776 4.340 0.005 0.000 0.267 229 L C 1.180 178.074 176.870 0.039 0.000 1.188 229 L CA -0.339 54.524 54.840 0.037 0.000 0.821 229 L CB 0.569 42.633 42.059 0.008 0.000 1.102 229 L HN -0.056 nan 8.230 nan 0.000 0.470 230 A N 1.726 124.600 122.820 0.090 0.000 2.592 230 A HA 0.706 5.029 4.320 0.005 0.000 0.290 230 A C 0.051 177.750 177.584 0.191 0.000 0.998 230 A CA 0.179 52.294 52.037 0.129 0.000 0.983 230 A CB 0.377 19.455 19.000 0.129 0.000 1.240 230 A HN 0.695 nan 8.150 nan 0.000 0.535 231 A N -0.633 122.267 122.820 0.133 0.000 2.498 231 A HA 0.618 4.941 4.320 0.005 0.000 0.298 231 A C 0.769 178.414 177.584 0.103 0.000 1.075 231 A CA 0.214 52.326 52.037 0.125 0.000 0.714 231 A CB 0.861 19.873 19.000 0.021 0.000 1.299 231 A HN 1.171 nan 8.150 nan 0.000 0.407 232 V N -1.766 118.248 119.914 0.166 0.000 3.235 232 V HA 0.234 4.357 4.120 0.005 0.000 0.259 232 V C 0.327 176.548 176.094 0.211 0.000 1.133 232 V CA 1.215 63.679 62.300 0.273 0.000 1.128 232 V CB -1.036 30.968 31.823 0.302 0.000 0.757 232 V HN 0.714 nan 8.190 nan 0.000 0.469 233 Q N -0.098 119.745 119.800 0.071 0.000 2.418 233 Q HA 0.545 4.888 4.340 0.005 0.000 0.282 233 Q C -1.164 174.769 176.000 -0.111 0.000 1.044 233 Q CA -0.979 54.833 55.803 0.014 0.000 0.813 233 Q CB 2.352 31.108 28.738 0.031 0.000 1.428 233 Q HN 0.305 nan 8.270 nan 0.000 0.402 234 M N 1.292 120.817 119.600 -0.126 0.000 2.307 234 M HA 0.331 4.814 4.480 0.005 0.000 0.346 234 M C 0.739 176.879 176.300 -0.267 0.000 1.552 234 M CA 1.640 56.801 55.300 -0.231 0.000 1.116 234 M CB -0.557 31.918 32.600 -0.207 0.000 1.889 234 M HN 0.855 nan 8.290 nan 0.000 0.460 235 G N 3.867 112.178 108.800 -0.814 0.000 2.179 235 G HA2 -0.145 3.818 3.960 0.005 0.000 0.220 235 G HA3 -0.145 3.818 3.960 0.005 0.000 0.220 235 G C -0.264 174.167 174.900 -0.782 0.000 0.990 235 G CA -0.011 44.446 45.100 -1.073 0.000 0.646 235 G HN 0.685 nan 8.290 nan 0.000 0.517 236 L N 1.203 122.065 121.223 -0.602 0.000 2.344 236 L HA 0.492 4.835 4.340 0.005 0.000 0.272 236 L C 1.792 178.479 176.870 -0.306 0.000 1.035 236 L CA -1.427 53.232 54.840 -0.301 0.000 0.807 236 L CB 0.876 42.870 42.059 -0.108 0.000 1.237 236 L HN -0.147 nan 8.230 nan 0.000 0.442 237 I N 0.475 120.900 120.570 -0.242 0.000 2.162 237 I HA -0.181 3.992 4.170 0.005 0.000 0.238 237 I C 1.345 177.166 176.117 -0.494 0.000 1.076 237 I CA 2.130 63.154 61.300 -0.461 0.000 1.353 237 I CB -0.583 36.893 38.000 -0.873 0.000 1.063 237 I HN 0.643 nan 8.210 nan 0.000 0.408 238 Y N -0.492 119.850 120.300 0.069 0.000 3.183 238 Y HA 0.262 4.816 4.550 0.005 0.000 0.200 238 Y C 0.725 176.729 175.900 0.173 0.000 0.912 238 Y CA -0.312 57.870 58.100 0.137 0.000 1.642 238 Y CB 0.032 38.627 38.460 0.224 0.000 1.447 238 Y HN -0.115 nan 8.280 nan 0.000 0.421 239 V N -1.196 118.963 119.914 0.409 0.000 3.155 239 V HA 0.513 4.636 4.120 0.005 0.000 0.313 239 V C -0.807 175.429 176.094 0.237 0.000 1.162 239 V CA -1.189 61.292 62.300 0.302 0.000 1.048 239 V CB 1.748 33.760 31.823 0.315 0.000 1.092 239 V HN 0.297 nan 8.190 nan 0.000 0.447 240 N N 2.675 121.491 118.700 0.193 0.000 2.430 240 N HA 0.376 5.119 4.740 0.005 0.000 0.265 240 N C -1.516 174.107 175.510 0.188 0.000 1.100 240 N CA -1.914 51.235 53.050 0.164 0.000 0.961 240 N CB 1.603 40.169 38.487 0.131 0.000 1.075 240 N HN 0.625 nan 8.380 nan 0.000 0.478 241 P HA -0.062 nan 4.420 nan 0.000 0.226 241 P C 0.228 177.653 177.300 0.208 0.000 1.153 241 P CA 1.115 64.349 63.100 0.222 0.000 0.777 241 P CB 0.500 32.338 31.700 0.230 0.000 0.794 242 E N -0.364 119.949 120.200 0.187 0.000 2.371 242 E HA 0.261 4.614 4.350 0.005 0.000 0.194 242 E C 0.999 177.714 176.600 0.193 0.000 1.012 242 E CA 0.378 56.904 56.400 0.210 0.000 0.860 242 E CB 0.010 29.841 29.700 0.219 0.000 0.811 242 E HN 0.258 nan 8.360 nan 0.000 0.502 243 G N 1.255 110.152 108.800 0.163 0.000 2.355 243 G HA2 -0.098 3.865 3.960 0.005 0.000 0.619 243 G HA3 -0.098 3.865 3.960 0.005 0.000 0.619 243 G C -3.093 171.867 174.900 0.099 0.000 1.337 243 G CA -1.340 43.837 45.100 0.129 0.000 0.993 243 G HN -0.211 nan 8.290 nan 0.000 0.599 244 P HA 0.304 nan 4.420 nan 0.000 0.266 244 P C -0.208 177.104 177.300 0.021 0.000 1.215 244 P CA 0.700 63.820 63.100 0.034 0.000 0.763 244 P CB 0.378 32.075 31.700 -0.005 0.000 0.806 245 D N 3.345 123.760 120.400 0.026 0.000 2.811 245 D HA -0.196 4.447 4.640 0.005 0.000 0.231 245 D C 1.125 177.458 176.300 0.055 0.000 1.157 245 D CA 1.960 55.978 54.000 0.031 0.000 0.716 245 D CB -1.567 39.232 40.800 -0.001 0.000 1.077 245 D HN 0.802 nan 8.370 nan 0.000 0.428 246 G N -0.480 108.369 108.800 0.082 0.000 2.148 246 G HA2 -0.323 3.640 3.960 0.005 0.000 0.254 246 G HA3 -0.323 3.640 3.960 0.005 0.000 0.254 246 G C 0.024 175.004 174.900 0.133 0.000 0.981 246 G CA 0.170 45.345 45.100 0.125 0.000 0.670 246 G HN 0.416 nan 8.290 nan 0.000 0.528 247 N N 1.431 120.167 118.700 0.060 0.000 2.426 247 N HA 0.393 5.136 4.740 0.005 0.000 0.257 247 N C -2.552 172.943 175.510 -0.024 0.000 1.002 247 N CA -1.295 51.749 53.050 -0.009 0.000 0.942 247 N CB 2.038 40.522 38.487 -0.005 0.000 1.112 247 N HN 0.117 nan 8.380 nan 0.000 0.499 248 P HA 0.074 nan 4.420 nan 0.000 0.230 248 P C -0.807 176.584 177.300 0.152 0.000 1.791 248 P CA -0.060 63.043 63.100 0.005 0.000 1.020 248 P CB -0.145 31.421 31.700 -0.222 0.000 1.977 249 D N 2.627 123.088 120.400 0.101 0.000 2.460 249 D HA 0.223 4.866 4.640 0.005 0.000 0.232 249 D C -1.792 174.544 176.300 0.060 0.000 1.079 249 D CA -2.545 51.499 54.000 0.073 0.000 0.864 249 D CB 1.590 42.408 40.800 0.030 0.000 1.048 249 D HN -0.013 nan 8.370 nan 0.000 0.523 250 P HA -0.087 nan 4.420 nan 0.000 0.222 250 P C 1.477 178.808 177.300 0.052 0.000 1.147 250 P CA 0.352 63.458 63.100 0.009 0.000 0.790 250 P CB 0.545 32.190 31.700 -0.091 0.000 0.780 251 V N 0.247 120.182 119.914 0.035 0.000 2.323 251 V HA -0.162 3.961 4.120 0.005 0.000 0.244 251 V C 2.517 178.636 176.094 0.042 0.000 1.041 251 V CA 2.063 64.393 62.300 0.049 0.000 1.025 251 V CB -1.684 30.158 31.823 0.031 0.000 0.656 251 V HN 0.087 nan 8.190 nan 0.000 0.451 252 A N 0.239 123.079 122.820 0.033 0.000 1.933 252 A HA -0.116 4.207 4.320 0.005 0.000 0.218 252 A C 2.427 180.043 177.584 0.054 0.000 1.175 252 A CA 2.038 54.094 52.037 0.032 0.000 0.628 252 A CB -0.789 18.222 19.000 0.018 0.000 0.814 252 A HN 0.561 nan 8.150 nan 0.000 0.444 253 A N -0.065 122.798 122.820 0.072 0.000 1.940 253 A HA 0.104 4.427 4.320 0.005 0.000 0.219 253 A C 2.477 180.135 177.584 0.123 0.000 1.176 253 A CA 2.154 54.251 52.037 0.100 0.000 0.631 253 A CB -0.976 18.089 19.000 0.108 0.000 0.814 253 A HN 1.105 nan 8.150 nan 0.000 0.446 254 A N -0.322 122.573 122.820 0.124 0.000 1.972 254 A HA -0.153 4.170 4.320 0.005 0.000 0.219 254 A C 2.219 179.879 177.584 0.126 0.000 1.169 254 A CA 1.401 53.548 52.037 0.183 0.000 0.635 254 A CB -0.448 18.649 19.000 0.161 0.000 0.810 254 A HN 0.572 nan 8.150 nan 0.000 0.446 255 R N -0.372 120.172 120.500 0.073 0.000 2.081 255 R HA -0.130 4.213 4.340 0.005 0.000 0.235 255 R C 1.488 177.853 176.300 0.109 0.000 1.131 255 R CA 1.557 57.693 56.100 0.060 0.000 0.960 255 R CB -0.421 29.902 30.300 0.038 0.000 0.856 255 R HN 0.443 nan 8.270 nan 0.000 0.436 256 D N 0.565 121.044 120.400 0.131 0.000 2.117 256 D HA -0.069 4.574 4.640 0.005 0.000 0.198 256 D C 1.912 178.348 176.300 0.227 0.000 0.982 256 D CA 0.898 55.006 54.000 0.180 0.000 0.828 256 D CB -0.122 40.783 40.800 0.176 0.000 0.967 256 D HN 0.158 nan 8.370 nan 0.000 0.464 257 I N 0.493 121.196 120.570 0.220 0.000 2.163 257 I HA -0.275 3.898 4.170 0.005 0.000 0.243 257 I C 2.576 178.845 176.117 0.253 0.000 1.085 257 I CA 1.039 62.480 61.300 0.235 0.000 1.347 257 I CB -0.181 37.882 38.000 0.105 0.000 1.044 257 I HN -0.061 nan 8.210 nan 0.000 0.408 258 R N 0.788 121.426 120.500 0.230 0.000 2.081 258 R HA -0.246 4.097 4.340 0.005 0.000 0.235 258 R C 2.085 178.497 176.300 0.186 0.000 1.131 258 R CA 2.267 58.486 56.100 0.199 0.000 0.960 258 R CB -0.271 30.072 30.300 0.072 0.000 0.856 258 R HN 0.303 nan 8.270 nan 0.000 0.436 259 D N -0.597 119.907 120.400 0.172 0.000 2.084 259 D HA -0.139 4.504 4.640 0.005 0.000 0.194 259 D C 1.832 178.238 176.300 0.177 0.000 0.990 259 D CA 2.286 56.382 54.000 0.160 0.000 0.826 259 D CB -0.238 40.662 40.800 0.166 0.000 0.971 259 D HN 0.402 nan 8.370 nan 0.000 0.453 260 T N -2.011 112.675 114.554 0.221 0.000 2.777 260 T HA -0.137 4.216 4.350 0.005 0.000 0.266 260 T C 2.133 176.882 174.700 0.082 0.000 1.040 260 T CA 0.881 63.101 62.100 0.201 0.000 1.141 260 T CB -1.016 68.028 68.868 0.294 0.000 0.868 260 T HN 0.058 nan 8.240 nan 0.000 0.444 261 F N 2.421 122.308 119.950 -0.106 0.000 2.171 261 F HA 0.193 4.723 4.527 0.004 0.000 0.300 261 F C 2.937 178.723 175.800 -0.023 0.000 1.090 261 F CA 0.571 58.461 58.000 -0.183 0.000 1.293 261 F CB -0.924 37.970 39.000 -0.176 0.000 1.013 261 F HN 0.280 nan 8.300 nan 0.000 0.486 262 A N 0.066 123.000 122.820 0.189 0.000 1.933 262 A HA -0.189 4.135 4.320 0.005 0.000 0.218 262 A C 2.223 179.868 177.584 0.101 0.000 1.175 262 A CA 1.432 53.551 52.037 0.137 0.000 0.628 262 A CB -0.619 18.453 19.000 0.121 0.000 0.814 262 A HN 0.330 nan 8.150 nan 0.000 0.444 263 R N -0.920 119.633 120.500 0.087 0.000 2.316 263 R HA 0.121 4.464 4.340 0.005 0.000 0.202 263 R C 0.902 177.225 176.300 0.037 0.000 1.029 263 R CA 0.889 57.021 56.100 0.054 0.000 1.018 263 R CB -0.152 30.185 30.300 0.062 0.000 0.888 263 R HN 0.520 nan 8.270 nan 0.000 0.471 264 M N -0.567 119.077 119.600 0.073 0.000 2.484 264 M HA 0.290 4.773 4.480 0.005 0.000 0.307 264 M C 0.243 176.668 176.300 0.208 0.000 1.149 264 M CA -0.114 55.283 55.300 0.162 0.000 0.972 264 M CB 1.200 33.898 32.600 0.163 0.000 1.400 264 M HN 0.132 nan 8.290 nan 0.000 0.508 265 A N 0.557 123.469 122.820 0.154 0.000 3.031 265 A HA -0.135 4.188 4.320 0.005 0.000 0.244 265 A C -0.025 177.620 177.584 0.101 0.000 1.341 265 A CA 0.771 52.894 52.037 0.143 0.000 0.943 265 A CB -1.517 17.599 19.000 0.193 0.000 1.122 265 A HN 0.475 nan 8.150 nan 0.000 0.760 266 M N 0.870 120.546 119.600 0.128 0.000 2.311 266 M HA 0.401 4.885 4.480 0.005 0.000 0.325 266 M C 0.402 176.802 176.300 0.168 0.000 1.061 266 M CA -0.769 54.622 55.300 0.152 0.000 0.957 266 M CB 1.330 34.079 32.600 0.249 0.000 1.646 266 M HN 0.680 nan 8.290 nan 0.000 0.434 267 N N 1.247 120.032 118.700 0.142 0.000 2.418 267 N HA 0.187 4.930 4.740 0.005 0.000 0.283 267 N C 0.142 175.740 175.510 0.147 0.000 1.267 267 N CA -0.202 52.929 53.050 0.135 0.000 0.975 267 N CB 0.438 38.995 38.487 0.117 0.000 1.167 267 N HN 0.373 nan 8.380 nan 0.000 0.581 268 D N -0.633 119.859 120.400 0.153 0.000 2.104 268 D HA -0.190 4.453 4.640 0.005 0.000 0.194 268 D C 1.379 177.774 176.300 0.159 0.000 0.994 268 D CA 1.420 55.559 54.000 0.232 0.000 0.830 268 D CB -0.245 40.673 40.800 0.197 0.000 0.959 268 D HN 0.823 nan 8.370 nan 0.000 0.452 269 E N 0.507 120.786 120.200 0.131 0.000 2.077 269 E HA -0.194 4.159 4.350 0.005 0.000 0.193 269 E C 1.722 178.464 176.600 0.238 0.000 0.989 269 E CA 0.996 57.493 56.400 0.162 0.000 0.800 269 E CB 0.116 29.920 29.700 0.173 0.000 0.746 269 E HN 0.316 nan 8.360 nan 0.000 0.452 270 E N -0.426 119.884 120.200 0.183 0.000 2.072 270 E HA -0.133 4.220 4.350 0.005 0.000 0.191 270 E C 2.119 178.791 176.600 0.121 0.000 0.985 270 E CA 1.596 58.102 56.400 0.176 0.000 0.801 270 E CB -0.009 29.777 29.700 0.144 0.000 0.750 270 E HN 0.229 nan 8.360 nan 0.000 0.452 271 T N 0.845 115.411 114.554 0.019 0.000 2.708 271 T HA -0.137 4.216 4.350 0.005 0.000 0.266 271 T C 2.126 176.599 174.700 -0.379 0.000 1.037 271 T CA 1.187 63.114 62.100 -0.289 0.000 1.146 271 T CB -0.264 68.334 68.868 -0.450 0.000 0.865 271 T HN -0.029 nan 8.240 nan 0.000 0.435 272 V N 1.788 121.550 119.914 -0.253 0.000 2.287 272 V HA -0.195 3.928 4.120 0.005 0.000 0.248 272 V C 2.898 179.035 176.094 0.071 0.000 1.053 272 V CA 1.770 63.967 62.300 -0.171 0.000 1.027 272 V CB -1.264 30.531 31.823 -0.046 0.000 0.646 272 V HN 0.541 nan 8.190 nan 0.000 0.447 273 A N -0.372 122.632 122.820 0.306 0.000 1.902 273 A HA -0.167 4.156 4.320 0.005 0.000 0.217 273 A C 2.237 179.859 177.584 0.064 0.000 1.181 273 A CA 1.891 54.130 52.037 0.338 0.000 0.623 273 A CB -0.543 18.677 19.000 0.367 0.000 0.818 273 A HN 0.496 nan 8.150 nan 0.000 0.443 274 L N -0.803 120.443 121.223 0.038 0.000 2.056 274 L HA -0.159 4.184 4.340 0.005 0.000 0.207 274 L C 2.503 179.122 176.870 -0.419 0.000 1.078 274 L CA 1.306 56.130 54.840 -0.027 0.000 0.749 274 L CB -0.435 41.669 42.059 0.075 0.000 0.901 274 L HN 0.386 nan 8.230 nan 0.000 0.433 275 I N -0.454 119.791 120.570 -0.542 0.000 2.233 275 I HA -0.213 3.960 4.170 0.005 0.000 0.243 275 I C 2.756 178.210 176.117 -1.106 0.000 1.093 275 I CA 1.072 61.882 61.300 -0.817 0.000 1.380 275 I CB -0.434 37.136 38.000 -0.716 0.000 1.067 275 I HN 0.153 nan 8.210 nan 0.000 0.413 276 A N 0.895 123.096 122.820 -1.031 0.000 1.930 276 A HA -0.083 4.240 4.320 0.005 0.000 0.217 276 A C 2.404 179.329 177.584 -1.098 0.000 1.175 276 A CA 1.806 52.892 52.037 -1.585 0.000 0.627 276 A CB -1.353 16.875 19.000 -1.288 0.000 0.815 276 A HN 0.458 nan 8.150 nan 0.000 0.443 277 G N -0.508 107.752 108.800 -0.899 0.000 2.404 277 G HA2 0.060 4.024 3.960 0.005 0.000 0.215 277 G HA3 0.060 4.024 3.960 0.005 0.000 0.215 277 G C 1.553 175.854 174.900 -0.997 0.000 1.174 277 G CA 1.190 45.385 45.100 -1.508 0.000 0.780 277 G HN 0.674 nan 8.290 nan 0.000 0.537 278 G N -0.190 108.146 108.800 -0.772 0.000 2.440 278 G HA2 -0.183 3.780 3.960 0.005 0.000 0.218 278 G HA3 -0.183 3.780 3.960 0.005 0.000 0.218 278 G C 1.417 176.148 174.900 -0.282 0.000 1.154 278 G CA 0.831 45.743 45.100 -0.313 0.000 0.767 278 G HN 0.657 nan 8.290 nan 0.000 0.552 279 H N -0.257 118.289 119.070 -0.874 0.000 2.536 279 H HA 0.134 4.693 4.556 0.005 0.000 0.276 279 H C 1.936 176.785 175.328 -0.799 0.000 1.019 279 H CA 0.114 55.362 56.048 -1.333 0.000 1.159 279 H CB 0.431 29.006 29.762 -1.978 0.000 1.373 279 H HN 0.236 nan 8.280 nan 0.000 0.584 280 T N 0.352 114.565 114.554 -0.567 0.000 3.035 280 T HA -0.032 4.321 4.350 0.005 0.000 0.268 280 T C 0.065 174.399 174.700 -0.610 0.000 1.109 280 T CA 0.849 62.600 62.100 -0.581 0.000 1.119 280 T CB -0.010 68.348 68.868 -0.851 0.000 0.900 280 T HN 0.093 nan 8.240 nan 0.000 0.503 281 F N 0.107 120.042 119.950 -0.025 0.000 2.522 281 F HA 0.592 5.121 4.527 0.005 0.000 0.324 281 F C 1.194 177.124 175.800 0.216 0.000 1.077 281 F CA -0.609 57.424 58.000 0.055 0.000 0.944 281 F CB 1.372 40.390 39.000 0.030 0.000 1.175 281 F HN 0.213 nan 8.300 nan 0.000 0.468 282 G N 2.298 111.315 108.800 0.363 0.000 2.598 282 G HA2 -0.070 3.893 3.960 0.005 0.000 0.244 282 G HA3 -0.070 3.893 3.960 0.005 0.000 0.244 282 G C -1.087 174.060 174.900 0.412 0.000 1.302 282 G CA -0.021 45.318 45.100 0.398 0.000 0.903 282 G HN 1.056 nan 8.290 nan 0.000 0.575 283 K N -2.015 118.572 120.400 0.310 0.000 2.571 283 K HA 0.748 5.071 4.320 0.005 0.000 0.289 283 K C -0.061 176.386 176.600 -0.255 0.000 1.028 283 K CA -0.208 56.003 56.287 -0.128 0.000 0.895 283 K CB 1.239 33.662 32.500 -0.129 0.000 1.534 283 K HN 1.381 nan 8.250 nan 0.000 0.421 284 T N -1.550 112.698 114.554 -0.510 0.000 2.897 284 T HA 0.464 4.817 4.350 0.005 0.000 0.278 284 T C -0.715 173.575 174.700 -0.683 0.000 0.981 284 T CA -0.434 61.447 62.100 -0.364 0.000 0.973 284 T CB 0.592 69.322 68.868 -0.230 0.000 1.092 284 T HN 0.659 nan 8.240 nan 0.000 0.543 285 H N -1.269 117.785 119.070 -0.026 0.000 2.924 285 H HA 0.606 5.165 4.556 0.005 0.000 0.333 285 H C 0.299 175.603 175.328 -0.040 0.000 0.979 285 H CA -0.599 55.437 56.048 -0.020 0.000 1.326 285 H CB 1.608 31.396 29.762 0.044 0.000 1.600 285 H HN 1.053 nan 8.280 nan 0.000 0.520 286 G N 1.294 110.090 108.800 -0.007 0.000 5.233 286 G HA2 0.378 4.341 3.960 0.005 0.000 0.203 286 G HA3 0.378 4.341 3.960 0.005 0.000 0.203 286 G C 0.856 175.690 174.900 -0.110 0.000 0.734 286 G CA 0.149 45.214 45.100 -0.059 0.000 0.662 286 G HN 0.713 nan 8.290 nan 0.000 0.468 287 A N -0.356 122.410 122.820 -0.090 0.000 2.067 287 A HA 0.589 4.912 4.320 0.005 0.000 0.219 287 A C 1.426 178.791 177.584 -0.364 0.000 1.158 287 A CA 1.556 53.532 52.037 -0.101 0.000 0.661 287 A CB 0.083 19.137 19.000 0.090 0.000 0.801 287 A HN 1.316 nan 8.150 nan 0.000 0.452 288 G N -2.384 106.039 108.800 -0.628 0.000 2.687 288 G HA2 0.514 4.477 3.960 0.005 0.000 0.291 288 G HA3 0.514 4.477 3.960 0.005 0.000 0.291 288 G C -3.487 171.109 174.900 -0.505 0.000 1.420 288 G CA -1.281 43.224 45.100 -0.992 0.000 0.796 288 G HN -0.103 nan 8.290 nan 0.000 0.485 289 P HA 0.241 nan 4.420 nan 0.000 0.265 289 P C 0.797 178.024 177.300 -0.122 0.000 1.193 289 P CA 0.515 63.505 63.100 -0.182 0.000 0.765 289 P CB 1.228 32.858 31.700 -0.116 0.000 0.823 290 A N 3.180 125.955 122.820 -0.075 0.000 2.070 290 A HA -0.163 4.160 4.320 0.005 0.000 0.220 290 A C 2.010 179.597 177.584 0.005 0.000 1.159 290 A CA 1.889 53.909 52.037 -0.029 0.000 0.656 290 A CB -1.431 17.557 19.000 -0.020 0.000 0.800 290 A HN 0.594 nan 8.150 nan 0.000 0.453 291 S N 0.416 116.115 115.700 -0.001 0.000 2.469 291 S HA -0.143 4.330 4.470 0.005 0.000 0.238 291 S C 1.468 176.091 174.600 0.039 0.000 0.998 291 S CA 1.060 59.272 58.200 0.020 0.000 0.957 291 S CB -0.608 62.600 63.200 0.012 0.000 0.764 291 S HN 0.639 nan 8.310 nan 0.000 0.514 292 N N 1.241 119.967 118.700 0.044 0.000 2.396 292 N HA 0.041 4.784 4.740 0.005 0.000 0.180 292 N C -0.016 175.553 175.510 0.098 0.000 1.028 292 N CA 0.501 53.602 53.050 0.085 0.000 0.893 292 N CB -0.081 38.483 38.487 0.127 0.000 0.967 292 N HN 0.317 nan 8.380 nan 0.000 0.440 293 V N 1.086 121.057 119.914 0.096 0.000 2.461 293 V HA 0.370 4.493 4.120 0.005 0.000 0.275 293 V C 1.100 177.270 176.094 0.127 0.000 1.047 293 V CA -0.638 61.744 62.300 0.136 0.000 0.955 293 V CB 1.093 33.010 31.823 0.158 0.000 0.988 293 V HN 0.091 nan 8.190 nan 0.000 0.471 294 G N 2.847 111.717 108.800 0.117 0.000 2.543 294 G HA2 0.599 4.562 3.960 0.005 0.000 0.267 294 G HA3 0.599 4.562 3.960 0.005 0.000 0.267 294 G C 0.133 175.029 174.900 -0.007 0.000 1.406 294 G CA -0.256 44.875 45.100 0.052 0.000 1.048 294 G HN 1.077 nan 8.290 nan 0.000 0.548 295 A N 0.148 122.918 122.820 -0.083 0.000 2.540 295 A HA 0.387 4.710 4.320 0.005 0.000 0.239 295 A C 1.003 178.325 177.584 -0.437 0.000 1.061 295 A CA -0.054 51.873 52.037 -0.182 0.000 0.758 295 A CB -0.087 18.827 19.000 -0.144 0.000 0.991 295 A HN 0.728 nan 8.150 nan 0.000 0.502 296 E N 3.086 122.910 120.200 -0.627 0.000 2.442 296 E HA 0.011 4.364 4.350 0.005 0.000 0.260 296 E C -2.116 173.981 176.600 -0.838 0.000 1.148 296 E CA -0.949 54.731 56.400 -1.199 0.000 0.976 296 E CB -0.406 28.783 29.700 -0.853 0.000 0.967 296 E HN 0.348 nan 8.360 nan 0.000 0.454 297 P HA -0.180 nan 4.420 nan 0.000 0.215 297 P C 1.028 178.130 177.300 -0.330 0.000 1.157 297 P CA 1.461 64.239 63.100 -0.537 0.000 0.874 297 P CB 0.158 31.571 31.700 -0.478 0.000 0.790 298 E N -1.003 119.032 120.200 -0.276 0.000 2.338 298 E HA -0.067 4.286 4.350 0.005 0.000 0.197 298 E C 1.722 178.247 176.600 -0.124 0.000 1.007 298 E CA 1.104 57.413 56.400 -0.151 0.000 0.849 298 E CB -0.444 29.209 29.700 -0.078 0.000 0.774 298 E HN 0.228 nan 8.360 nan 0.000 0.506 299 A N 0.497 123.219 122.820 -0.163 0.000 2.303 299 A HA 0.426 4.749 4.320 0.005 0.000 0.217 299 A C 1.230 178.736 177.584 -0.130 0.000 1.205 299 A CA 0.374 52.340 52.037 -0.118 0.000 0.875 299 A CB 0.220 19.159 19.000 -0.101 0.000 0.910 299 A HN 0.144 nan 8.150 nan 0.000 0.501 300 A N 0.106 122.822 122.820 -0.175 0.000 2.366 300 A HA 0.536 4.859 4.320 0.005 0.000 0.249 300 A C 0.996 178.514 177.584 -0.110 0.000 1.084 300 A CA 0.186 52.131 52.037 -0.153 0.000 0.794 300 A CB -0.371 18.511 19.000 -0.196 0.000 1.034 300 A HN 0.843 nan 8.150 nan 0.000 0.491 301 G N -0.672 108.075 108.800 -0.088 0.000 2.614 301 G HA2 0.316 4.279 3.960 0.005 0.000 0.239 301 G HA3 0.316 4.279 3.960 0.005 0.000 0.239 301 G C 0.897 175.752 174.900 -0.076 0.000 1.240 301 G CA -0.048 45.010 45.100 -0.070 0.000 0.842 301 G HN 0.823 nan 8.290 nan 0.000 0.584 302 I N 0.213 120.745 120.570 -0.064 0.000 2.286 302 I HA -0.151 4.022 4.170 0.005 0.000 0.248 302 I C 2.799 178.875 176.117 -0.069 0.000 1.115 302 I CA 1.613 62.874 61.300 -0.065 0.000 1.392 302 I CB 0.014 37.983 38.000 -0.051 0.000 1.065 302 I HN 0.762 nan 8.210 nan 0.000 0.418 303 E N 1.398 121.561 120.200 -0.061 0.000 2.333 303 E HA -0.194 4.159 4.350 0.005 0.000 0.198 303 E C 1.763 178.318 176.600 -0.075 0.000 1.007 303 E CA 1.204 57.568 56.400 -0.060 0.000 0.845 303 E CB -0.365 29.308 29.700 -0.045 0.000 0.766 303 E HN 0.526 nan 8.360 nan 0.000 0.507 304 A N 0.883 123.651 122.820 -0.087 0.000 2.168 304 A HA -0.092 4.231 4.320 0.005 0.000 0.215 304 A C 0.862 178.366 177.584 -0.133 0.000 1.152 304 A CA 0.497 52.471 52.037 -0.105 0.000 0.716 304 A CB -0.170 18.762 19.000 -0.114 0.000 0.794 304 A HN 0.178 nan 8.150 nan 0.000 0.465 305 Q N -2.239 117.484 119.800 -0.128 0.000 2.452 305 Q HA -0.252 4.091 4.340 0.005 0.000 0.318 305 Q C 0.925 176.822 176.000 -0.172 0.000 1.386 305 Q CA 1.249 56.966 55.803 -0.143 0.000 0.872 305 Q CB -2.331 26.319 28.738 -0.147 0.000 1.151 305 Q HN 1.739 nan 8.270 nan 0.000 0.417 306 G N -1.612 107.087 108.800 -0.169 0.000 2.175 306 G HA2 -0.294 3.669 3.960 0.005 0.000 0.244 306 G HA3 -0.294 3.669 3.960 0.005 0.000 0.244 306 G C 0.215 174.992 174.900 -0.204 0.000 0.982 306 G CA 0.325 45.311 45.100 -0.189 0.000 0.641 306 G HN 0.322 nan 8.290 nan 0.000 0.527 307 L N -0.135 120.972 121.223 -0.194 0.000 2.365 307 L HA 0.846 5.189 4.340 0.005 0.000 0.267 307 L C 0.998 177.739 176.870 -0.215 0.000 1.033 307 L CA -0.376 54.355 54.840 -0.181 0.000 0.802 307 L CB 1.678 43.643 42.059 -0.156 0.000 1.267 307 L HN 0.330 nan 8.230 nan 0.000 0.457 308 G N -2.410 106.266 108.800 -0.207 0.000 2.749 308 G HA2 0.391 4.354 3.960 0.005 0.000 0.300 308 G HA3 0.391 4.354 3.960 0.005 0.000 0.300 308 G C -1.516 173.353 174.900 -0.052 0.000 1.352 308 G CA -0.471 44.422 45.100 -0.345 0.000 0.789 308 G HN 0.688 nan 8.290 nan 0.000 0.509 309 W N -0.078 121.173 121.300 -0.082 0.000 5.121 309 W HA -0.164 4.498 4.660 0.005 0.000 0.372 309 W C 0.690 177.203 176.519 -0.010 0.000 1.394 309 W CA 0.765 58.077 57.345 -0.055 0.000 0.885 309 W CB -1.126 28.287 29.460 -0.079 0.000 2.520 309 W HN 0.622 nan 8.180 nan 0.000 1.455 310 K N 1.623 122.106 120.400 0.139 0.000 2.447 310 K HA 0.229 4.552 4.320 0.005 0.000 0.281 310 K C 0.552 177.241 176.600 0.148 0.000 1.031 310 K CA 0.427 56.793 56.287 0.131 0.000 1.019 310 K CB 0.725 33.264 32.500 0.066 0.000 0.918 310 K HN -0.021 nan 8.250 nan 0.000 0.476 311 S N 2.927 118.733 115.700 0.176 0.000 2.475 311 S HA 0.476 4.949 4.470 0.005 0.000 0.298 311 S C 0.364 175.048 174.600 0.140 0.000 1.119 311 S CA -0.485 57.818 58.200 0.170 0.000 1.085 311 S CB 1.544 64.871 63.200 0.210 0.000 1.028 311 S HN 0.684 nan 8.310 nan 0.000 0.489 312 A N 4.112 127.010 122.820 0.129 0.000 2.251 312 A HA 0.220 4.543 4.320 0.005 0.000 0.209 312 A C 0.111 177.767 177.584 0.120 0.000 1.187 312 A CA -0.025 52.071 52.037 0.099 0.000 0.823 312 A CB -0.365 18.683 19.000 0.080 0.000 0.846 312 A HN 0.834 nan 8.150 nan 0.000 0.486 313 Y N 2.216 122.532 120.300 0.026 0.000 2.539 313 Y HA 0.382 4.935 4.550 0.005 0.000 0.352 313 Y C 0.980 176.877 175.900 -0.005 0.000 1.004 313 Y CA -0.607 57.498 58.100 0.009 0.000 1.278 313 Y CB -0.421 38.045 38.460 0.010 0.000 1.136 313 Y HN 0.554 nan 8.280 nan 0.000 0.528 314 R N 0.499 120.713 120.500 -0.477 0.000 3.923 314 R HA -0.327 4.016 4.340 0.005 0.000 0.400 314 R C 1.550 177.729 176.300 -0.203 0.000 0.241 314 R CA 2.300 58.142 56.100 -0.429 0.000 1.284 314 R CB -1.719 28.167 30.300 -0.691 0.000 1.006 314 R HN 0.740 nan 8.270 nan 0.000 0.559 315 T N -0.765 113.681 114.554 -0.181 0.000 3.085 315 T HA 0.170 4.523 4.350 0.005 0.000 0.263 315 T C 1.410 176.088 174.700 -0.037 0.000 1.127 315 T CA 1.443 63.480 62.100 -0.105 0.000 1.103 315 T CB 0.179 68.964 68.868 -0.139 0.000 0.921 315 T HN 1.310 nan 8.240 nan 0.000 0.510 316 G N 1.843 110.639 108.800 -0.007 0.000 2.143 316 G HA2 -0.248 3.715 3.960 0.005 0.000 0.249 316 G HA3 -0.248 3.715 3.960 0.005 0.000 0.249 316 G C -0.071 174.900 174.900 0.118 0.000 0.981 316 G CA 0.573 45.733 45.100 0.101 0.000 0.665 316 G HN 1.050 nan 8.290 nan 0.000 0.528 317 K N -2.290 118.062 120.400 -0.080 0.000 2.617 317 K HA 0.635 4.958 4.320 0.005 0.000 0.293 317 K C 1.055 177.327 176.600 -0.548 0.000 1.034 317 K CA -0.085 55.967 56.287 -0.392 0.000 0.884 317 K CB 0.995 33.359 32.500 -0.227 0.000 1.541 317 K HN 1.757 nan 8.250 nan 0.000 0.409 318 G N 0.825 109.132 108.800 -0.821 0.000 2.596 318 G HA2 -0.440 3.523 3.960 0.005 0.000 0.304 318 G HA3 -0.440 3.523 3.960 0.005 0.000 0.304 318 G C 1.070 175.508 174.900 -0.770 0.000 1.189 318 G CA 1.675 46.248 45.100 -0.880 0.000 0.986 318 G HN 1.363 nan 8.290 nan 0.000 0.548 319 A N -0.752 121.389 122.820 -1.132 0.000 2.076 319 A HA 0.112 4.435 4.320 0.005 0.000 0.220 319 A C 1.760 179.237 177.584 -0.180 0.000 1.160 319 A CA 2.490 54.227 52.037 -0.500 0.000 0.653 319 A CB -0.283 18.448 19.000 -0.447 0.000 0.801 319 A HN 0.592 nan 8.150 nan 0.000 0.455 320 D N -0.343 119.945 120.400 -0.187 0.000 2.363 320 D HA 0.342 4.985 4.640 0.005 0.000 0.214 320 D C 0.668 177.022 176.300 0.090 0.000 1.093 320 D CA 0.545 54.559 54.000 0.024 0.000 0.837 320 D CB -0.011 40.758 40.800 -0.051 0.000 0.948 320 D HN 0.415 nan 8.370 nan 0.000 0.507 321 A N 0.922 123.726 122.820 -0.027 0.000 2.531 321 A HA 0.313 4.636 4.320 0.005 0.000 0.236 321 A C 0.215 177.885 177.584 0.143 0.000 1.062 321 A CA 0.360 52.409 52.037 0.021 0.000 0.760 321 A CB 0.104 19.007 19.000 -0.162 0.000 0.995 321 A HN 0.192 nan 8.150 nan 0.000 0.501 322 I N 2.309 122.980 120.570 0.168 0.000 2.500 322 I HA 0.297 4.470 4.170 0.005 0.000 0.286 322 I C 0.446 176.623 176.117 0.099 0.000 1.063 322 I CA -0.232 61.134 61.300 0.111 0.000 1.062 322 I CB 2.272 40.300 38.000 0.048 0.000 1.223 322 I HN 0.770 nan 8.210 nan 0.000 0.435 323 T N 1.236 115.839 114.554 0.082 0.000 3.447 323 T HA -0.014 4.339 4.350 0.005 0.000 0.218 323 T C 1.552 176.216 174.700 -0.059 0.000 0.972 323 T CA 0.853 62.940 62.100 -0.023 0.000 1.264 323 T CB 0.069 68.965 68.868 0.046 0.000 1.284 323 T HN 0.621 nan 8.240 nan 0.000 0.361 324 S N 0.426 116.135 115.700 0.015 0.000 2.478 324 S HA 0.384 4.857 4.470 0.005 0.000 0.222 324 S C 1.914 176.511 174.600 -0.003 0.000 1.008 324 S CA 0.927 59.132 58.200 0.009 0.000 0.928 324 S CB 0.010 63.247 63.200 0.061 0.000 0.781 324 S HN 0.990 nan 8.310 nan 0.000 0.518 325 G N 0.707 109.501 108.800 -0.010 0.000 2.195 325 G HA2 -0.214 3.749 3.960 0.005 0.000 0.246 325 G HA3 -0.214 3.749 3.960 0.005 0.000 0.246 325 G C -0.090 174.778 174.900 -0.053 0.000 0.984 325 G CA 0.244 45.321 45.100 -0.040 0.000 0.633 325 G HN 0.512 nan 8.290 nan 0.000 0.525 326 L N 0.120 121.320 121.223 -0.039 0.000 2.379 326 L HA 0.739 5.082 4.340 0.005 0.000 0.269 326 L C 0.417 177.216 176.870 -0.119 0.000 1.084 326 L CA -0.698 54.103 54.840 -0.065 0.000 0.802 326 L CB 1.540 43.581 42.059 -0.031 0.000 1.175 326 L HN 0.106 nan 8.230 nan 0.000 0.448 327 E N 1.705 121.810 120.200 -0.160 0.000 2.873 327 E HA 0.434 4.787 4.350 0.005 0.000 0.232 327 E C -1.739 174.690 176.600 -0.286 0.000 1.123 327 E CA -0.172 56.094 56.400 -0.222 0.000 0.809 327 E CB 0.989 30.577 29.700 -0.187 0.000 1.366 327 E HN 0.219 nan 8.360 nan 0.000 0.400 328 V N 2.821 122.489 119.914 -0.409 0.000 2.577 328 V HA 0.568 4.691 4.120 0.005 0.000 0.303 328 V C -0.431 175.175 176.094 -0.813 0.000 1.042 328 V CA -0.685 61.274 62.300 -0.568 0.000 0.872 328 V CB 2.327 33.769 31.823 -0.634 0.000 0.998 328 V HN 0.544 nan 8.190 nan 0.000 0.423 329 T N 4.432 118.616 114.554 -0.616 0.000 2.809 329 T HA 0.316 4.669 4.350 0.005 0.000 0.284 329 T C 0.398 174.905 174.700 -0.322 0.000 0.992 329 T CA -0.409 61.413 62.100 -0.463 0.000 0.957 329 T CB 1.062 69.857 68.868 -0.120 0.000 0.942 329 T HN 0.722 nan 8.240 nan 0.000 0.439 330 W N 2.468 123.754 121.300 -0.022 0.000 2.523 330 W HA 0.056 4.719 4.660 0.006 0.000 0.278 330 W C 1.357 177.860 176.519 -0.025 0.000 1.236 330 W CA 0.331 57.667 57.345 -0.015 0.000 1.306 330 W CB -0.234 29.268 29.460 0.070 0.000 1.101 330 W HN 0.598 nan 8.180 nan 0.000 0.577 331 T N -3.455 111.206 114.554 0.179 0.000 2.916 331 T HA 0.277 4.630 4.350 0.005 0.000 0.292 331 T C 0.999 175.696 174.700 -0.005 0.000 1.064 331 T CA 0.037 62.173 62.100 0.060 0.000 1.011 331 T CB 2.217 71.074 68.868 -0.019 0.000 1.152 331 T HN -0.053 nan 8.240 nan 0.000 0.510 332 T N -1.664 112.883 114.554 -0.012 0.000 3.072 332 T HA 0.104 4.457 4.350 0.005 0.000 0.266 332 T C 0.988 175.645 174.700 -0.073 0.000 1.127 332 T CA 0.897 62.984 62.100 -0.022 0.000 1.107 332 T CB -0.801 68.067 68.868 0.000 0.000 0.910 332 T HN 1.083 nan 8.240 nan 0.000 0.513 333 T N -1.314 113.168 114.554 -0.120 0.000 3.428 333 T HA 0.479 4.833 4.350 0.005 0.000 0.301 333 T C -2.646 171.920 174.700 -0.224 0.000 1.323 333 T CA -1.359 60.646 62.100 -0.159 0.000 1.647 333 T CB 1.454 70.254 68.868 -0.112 0.000 0.871 333 T HN -0.102 nan 8.240 nan 0.000 0.627 334 P HA -0.036 nan 4.420 nan 0.000 0.225 334 P C 1.367 178.533 177.300 -0.223 0.000 1.148 334 P CA 1.004 63.868 63.100 -0.393 0.000 0.779 334 P CB -0.021 31.115 31.700 -0.940 0.000 0.780 335 T N -5.485 108.932 114.554 -0.229 0.000 3.176 335 T HA 0.272 4.625 4.350 0.005 0.000 0.263 335 T C 0.289 174.979 174.700 -0.016 0.000 1.021 335 T CA -0.314 61.700 62.100 -0.142 0.000 0.905 335 T CB -0.337 68.405 68.868 -0.210 0.000 1.057 335 T HN 0.054 nan 8.240 nan 0.000 0.558 336 Q N 0.509 120.349 119.800 0.068 0.000 2.289 336 Q HA 0.284 4.627 4.340 0.005 0.000 0.270 336 Q C -1.234 174.850 176.000 0.140 0.000 1.038 336 Q CA -0.916 54.973 55.803 0.143 0.000 0.812 336 Q CB 1.941 30.705 28.738 0.044 0.000 1.300 336 Q HN 0.530 nan 8.270 nan 0.000 0.427 337 W N 3.558 124.945 121.300 0.145 0.000 2.409 337 W HA 0.099 4.762 4.660 0.005 0.000 0.338 337 W C -0.537 175.917 176.519 -0.107 0.000 1.273 337 W CA 1.365 58.713 57.345 0.005 0.000 1.299 337 W CB 0.593 30.208 29.460 0.258 0.000 1.192 337 W HN 0.774 nan 8.180 nan 0.000 0.565 338 S N 3.490 118.584 115.700 -1.010 0.000 2.672 338 S HA 0.343 4.816 4.470 0.005 0.000 0.271 338 S C -0.805 173.241 174.600 -0.922 0.000 1.171 338 S CA -0.897 56.795 58.200 -0.848 0.000 0.817 338 S CB 1.727 64.662 63.200 -0.442 0.000 1.150 338 S HN 0.613 nan 8.310 nan 0.000 0.478 339 H N 0.178 119.042 119.070 -0.344 0.000 2.486 339 H HA 0.423 4.982 4.556 0.005 0.000 0.284 339 H C 1.376 176.705 175.328 0.002 0.000 1.103 339 H CA -0.303 55.680 56.048 -0.108 0.000 1.089 339 H CB 0.030 29.821 29.762 0.048 0.000 1.603 339 H HN 0.632 nan 8.280 nan 0.000 0.557 340 N N 0.554 119.244 118.700 -0.016 0.000 2.409 340 N HA -0.124 4.619 4.740 0.005 0.000 0.179 340 N C 1.419 176.951 175.510 0.037 0.000 1.032 340 N CA 0.193 53.259 53.050 0.027 0.000 0.898 340 N CB 0.131 38.602 38.487 -0.027 0.000 0.971 340 N HN 0.252 nan 8.380 nan 0.000 0.441 341 F N 1.078 120.923 119.950 -0.175 0.000 2.046 341 F HA -0.155 4.375 4.527 0.005 0.000 0.297 341 F C 1.629 177.270 175.800 -0.265 0.000 1.123 341 F CA 1.720 59.545 58.000 -0.292 0.000 1.199 341 F CB -0.568 38.075 39.000 -0.596 0.000 0.972 341 F HN -0.034 nan 8.300 nan 0.000 0.474 342 F N 0.558 120.554 119.950 0.076 0.000 2.234 342 F HA -0.124 4.406 4.527 0.005 0.000 0.299 342 F C 2.322 178.017 175.800 -0.176 0.000 1.087 342 F CA 1.123 59.082 58.000 -0.068 0.000 1.340 342 F CB -0.511 38.540 39.000 0.085 0.000 1.031 342 F HN 0.035 nan 8.300 nan 0.000 0.500 343 E N 0.355 120.657 120.200 0.170 0.000 2.058 343 E HA -0.213 4.140 4.350 0.005 0.000 0.194 343 E C 1.825 178.451 176.600 0.044 0.000 0.997 343 E CA 1.372 57.862 56.400 0.149 0.000 0.801 343 E CB -0.199 29.616 29.700 0.192 0.000 0.746 343 E HN 0.360 nan 8.360 nan 0.000 0.450 344 N N 0.752 119.494 118.700 0.069 0.000 2.135 344 N HA -0.125 4.618 4.740 0.005 0.000 0.186 344 N C 1.880 177.575 175.510 0.309 0.000 1.027 344 N CA 0.541 53.744 53.050 0.255 0.000 0.849 344 N CB -0.452 38.204 38.487 0.282 0.000 1.002 344 N HN 0.053 nan 8.380 nan 0.000 0.425 345 L N 0.131 121.312 121.223 -0.069 0.000 2.013 345 L HA -0.101 4.242 4.340 0.005 0.000 0.212 345 L C 1.678 178.469 176.870 -0.131 0.000 1.073 345 L CA 1.702 56.404 54.840 -0.229 0.000 0.753 345 L CB -0.571 41.064 42.059 -0.706 0.000 0.890 345 L HN 0.086 nan 8.230 nan 0.000 0.432 346 F N -1.562 118.355 119.950 -0.055 0.000 2.619 346 F HA 0.166 4.696 4.527 0.005 0.000 0.293 346 F C 2.249 177.986 175.800 -0.105 0.000 1.119 346 F CA 0.486 58.414 58.000 -0.119 0.000 1.445 346 F CB -0.419 38.403 39.000 -0.297 0.000 1.119 346 F HN 0.148 nan 8.300 nan 0.000 0.573 347 G N -1.254 107.541 108.800 -0.010 0.000 2.623 347 G HA2 -0.022 3.941 3.960 0.005 0.000 0.214 347 G HA3 -0.022 3.941 3.960 0.005 0.000 0.214 347 G C -0.128 174.452 174.900 -0.533 0.000 1.138 347 G CA 0.345 45.276 45.100 -0.282 0.000 0.794 347 G HN 0.246 nan 8.290 nan 0.000 0.535 348 Y N -0.587 119.622 120.300 -0.152 0.000 2.602 348 Y HA 0.547 5.100 4.550 0.005 0.000 0.342 348 Y C -0.110 175.506 175.900 -0.473 0.000 1.029 348 Y CA -1.350 56.505 58.100 -0.407 0.000 1.080 348 Y CB 1.546 39.518 38.460 -0.813 0.000 1.284 348 Y HN -0.184 nan 8.280 nan 0.000 0.485 349 E N 0.650 120.701 120.200 -0.249 0.000 2.248 349 E HA 0.206 4.559 4.350 0.005 0.000 0.272 349 E C -1.605 174.757 176.600 -0.395 0.000 1.008 349 E CA -0.565 55.727 56.400 -0.181 0.000 0.856 349 E CB 1.253 30.953 29.700 -0.001 0.000 1.120 349 E HN 0.537 nan 8.360 nan 0.000 0.397 350 W N 0.599 122.005 121.300 0.177 0.000 2.666 350 W HA 0.367 5.030 4.660 0.005 0.000 0.334 350 W C 0.272 177.009 176.519 0.364 0.000 1.051 350 W CA -0.638 56.847 57.345 0.234 0.000 1.224 350 W CB 1.385 30.939 29.460 0.157 0.000 1.405 350 W HN 0.361 nan 8.180 nan 0.000 0.513 351 E N 2.270 122.819 120.200 0.582 0.000 2.187 351 E HA 0.388 4.741 4.350 0.005 0.000 0.268 351 E C -1.367 175.345 176.600 0.186 0.000 0.896 351 E CA -1.111 55.496 56.400 0.345 0.000 0.766 351 E CB 1.394 31.182 29.700 0.148 0.000 1.142 351 E HN 0.414 nan 8.360 nan 0.000 0.408 352 L N 4.040 125.126 121.223 -0.228 0.000 2.410 352 L HA 0.337 4.680 4.340 0.005 0.000 0.273 352 L C -0.179 176.476 176.870 -0.359 0.000 1.152 352 L CA 1.043 55.407 54.840 -0.794 0.000 0.855 352 L CB 1.081 42.562 42.059 -0.963 0.000 1.129 352 L HN 0.664 nan 8.230 nan 0.000 0.463 353 T N 4.045 118.403 114.554 -0.327 0.000 2.618 353 T HA 0.560 4.913 4.350 0.005 0.000 0.286 353 T C -1.176 173.438 174.700 -0.143 0.000 1.027 353 T CA -0.695 61.307 62.100 -0.162 0.000 1.063 353 T CB 1.054 69.870 68.868 -0.087 0.000 1.440 353 T HN 0.617 nan 8.240 nan 0.000 0.505 354 K N 1.046 121.382 120.400 -0.107 0.000 2.426 354 K HA 0.583 4.906 4.320 0.005 0.000 0.251 354 K C -0.400 176.137 176.600 -0.104 0.000 0.941 354 K CA -0.806 55.411 56.287 -0.116 0.000 0.808 354 K CB 2.020 34.444 32.500 -0.127 0.000 1.265 354 K HN 0.762 nan 8.250 nan 0.000 0.432 355 S N 0.882 116.516 115.700 -0.111 0.000 2.608 355 S HA 0.194 4.667 4.470 0.005 0.000 0.261 355 S C -1.819 172.715 174.600 -0.110 0.000 1.314 355 S CA -0.870 57.265 58.200 -0.108 0.000 0.992 355 S CB 0.577 63.711 63.200 -0.109 0.000 0.935 355 S HN 0.343 nan 8.310 nan 0.000 0.564 356 P HA 0.070 nan 4.420 nan 0.000 0.223 356 P C 0.952 178.163 177.300 -0.148 0.000 1.144 356 P CA 1.362 64.389 63.100 -0.121 0.000 0.783 356 P CB -0.206 31.417 31.700 -0.128 0.000 0.771 357 A N -1.068 121.664 122.820 -0.147 0.000 2.218 357 A HA 0.462 4.785 4.320 0.005 0.000 0.209 357 A C 1.625 179.136 177.584 -0.122 0.000 1.168 357 A CA 0.765 52.717 52.037 -0.141 0.000 0.804 357 A CB -0.962 17.963 19.000 -0.125 0.000 0.834 357 A HN 0.235 nan 8.150 nan 0.000 0.482 358 G N -2.049 106.673 108.800 -0.129 0.000 2.134 358 G HA2 0.158 4.122 3.960 0.005 0.000 0.209 358 G HA3 0.158 4.122 3.960 0.005 0.000 0.209 358 G C 0.292 175.067 174.900 -0.208 0.000 0.993 358 G CA 0.180 45.190 45.100 -0.150 0.000 0.669 358 G HN 1.482 nan 8.290 nan 0.000 0.519 359 A N 0.621 123.334 122.820 -0.179 0.000 2.316 359 A HA 0.677 5.000 4.320 0.005 0.000 0.284 359 A C 0.443 177.907 177.584 -0.201 0.000 1.115 359 A CA -0.526 51.397 52.037 -0.189 0.000 0.812 359 A CB 0.301 19.250 19.000 -0.086 0.000 1.064 359 A HN 0.429 nan 8.150 nan 0.000 0.489 360 H N 1.656 120.682 119.070 -0.073 0.000 2.848 360 H HA 0.273 4.832 4.556 0.005 0.000 0.317 360 H C 0.350 175.608 175.328 -0.116 0.000 1.046 360 H CA 0.838 56.806 56.048 -0.133 0.000 1.470 360 H CB 0.500 30.190 29.762 -0.120 0.000 1.483 360 H HN 0.786 nan 8.280 nan 0.000 0.548 361 Q N 1.835 121.583 119.800 -0.087 0.000 2.814 361 Q HA 0.460 4.803 4.340 0.005 0.000 0.322 361 Q C -1.594 174.270 176.000 -0.226 0.000 0.888 361 Q CA -1.105 54.678 55.803 -0.033 0.000 0.768 361 Q CB 1.823 30.568 28.738 0.012 0.000 1.443 361 Q HN 0.404 nan 8.270 nan 0.000 0.497 362 W N 0.180 121.497 121.300 0.027 0.000 2.844 362 W HA 0.749 5.412 4.660 0.005 0.000 0.340 362 W C -1.111 175.539 176.519 0.218 0.000 1.093 362 W CA -0.739 56.676 57.345 0.116 0.000 1.212 362 W CB 2.179 31.688 29.460 0.081 0.000 1.422 362 W HN 0.509 nan 8.180 nan 0.000 0.515 363 V N 2.037 122.274 119.914 0.538 0.000 2.876 363 V HA 0.849 4.972 4.120 0.005 0.000 0.312 363 V C -0.710 175.517 176.094 0.222 0.000 1.085 363 V CA -1.174 61.343 62.300 0.362 0.000 0.945 363 V CB 1.734 33.628 31.823 0.119 0.000 1.017 363 V HN 0.705 nan 8.190 nan 0.000 0.428 364 A N 5.286 127.988 122.820 -0.196 0.000 2.404 364 A HA 0.454 4.777 4.320 0.005 0.000 0.273 364 A C 0.183 177.513 177.584 -0.423 0.000 1.144 364 A CA -0.185 51.357 52.037 -0.825 0.000 0.806 364 A CB -0.157 18.027 19.000 -1.359 0.000 1.080 364 A HN 0.826 nan 8.150 nan 0.000 0.509 365 K N 1.625 121.838 120.400 -0.311 0.000 2.416 365 K HA 0.338 4.661 4.320 0.005 0.000 0.283 365 K C 1.172 177.711 176.600 -0.101 0.000 1.037 365 K CA 0.980 57.187 56.287 -0.133 0.000 0.995 365 K CB 0.432 32.892 32.500 -0.068 0.000 0.938 365 K HN 1.343 nan 8.250 nan 0.000 0.475 366 G N 1.596 110.354 108.800 -0.069 0.000 2.155 366 G HA2 -0.323 3.640 3.960 0.005 0.000 0.257 366 G HA3 -0.323 3.640 3.960 0.005 0.000 0.257 366 G C 0.193 175.078 174.900 -0.025 0.000 0.983 366 G CA 0.289 45.370 45.100 -0.032 0.000 0.676 366 G HN 0.802 nan 8.290 nan 0.000 0.528 367 A N -0.293 122.467 122.820 -0.099 0.000 2.322 367 A HA 0.600 4.923 4.320 0.005 0.000 0.269 367 A C 0.384 177.930 177.584 -0.063 0.000 1.094 367 A CA -0.109 51.863 52.037 -0.108 0.000 0.807 367 A CB 0.520 19.232 19.000 -0.479 0.000 1.047 367 A HN 0.246 nan 8.150 nan 0.000 0.487 368 D N 0.523 120.917 120.400 -0.010 0.000 2.358 368 D HA 0.398 5.041 4.640 0.005 0.000 0.244 368 D C 0.380 176.661 176.300 -0.031 0.000 1.163 368 D CA 0.548 54.541 54.000 -0.012 0.000 0.945 368 D CB 1.006 41.816 40.800 0.015 0.000 1.152 368 D HN 0.599 nan 8.370 nan 0.000 0.451 369 A N 1.151 123.953 122.820 -0.030 0.000 2.797 369 A HA 0.272 4.595 4.320 0.005 0.000 0.296 369 A C 1.089 178.658 177.584 -0.025 0.000 1.580 369 A CA -0.419 51.596 52.037 -0.037 0.000 1.277 369 A CB -0.704 18.258 19.000 -0.063 0.000 1.101 369 A HN 0.392 nan 8.150 nan 0.000 0.562 370 V N 0.490 120.402 119.914 -0.004 0.000 3.661 370 V HA 0.326 4.449 4.120 0.005 0.000 0.271 370 V C 0.389 176.499 176.094 0.026 0.000 1.315 370 V CA -0.011 62.298 62.300 0.015 0.000 1.072 370 V CB -0.403 31.444 31.823 0.040 0.000 0.830 370 V HN 0.519 nan 8.190 nan 0.000 0.443 371 I N 4.003 124.600 120.570 0.044 0.000 2.342 371 I HA 0.462 4.635 4.170 0.005 0.000 0.291 371 I C -2.354 173.835 176.117 0.120 0.000 1.010 371 I CA -2.474 58.874 61.300 0.080 0.000 1.308 371 I CB 1.024 39.086 38.000 0.103 0.000 1.400 371 I HN 0.149 nan 8.210 nan 0.000 0.488 372 P HA 0.138 nan 4.420 nan 0.000 0.274 372 P C -0.637 176.865 177.300 0.337 0.000 1.231 372 P CA -0.298 62.910 63.100 0.179 0.000 0.790 372 P CB 1.010 32.813 31.700 0.172 0.000 0.951 373 D N 0.473 121.010 120.400 0.229 0.000 2.341 373 D HA 0.305 4.948 4.640 0.005 0.000 0.245 373 D C 1.274 177.544 176.300 -0.050 0.000 1.106 373 D CA -0.306 53.815 54.000 0.201 0.000 0.905 373 D CB 0.746 41.632 40.800 0.144 0.000 1.202 373 D HN 0.285 nan 8.370 nan 0.000 0.426 374 A N 2.392 124.939 122.820 -0.455 0.000 2.119 374 A HA 0.018 4.341 4.320 0.005 0.000 0.217 374 A C 1.085 177.942 177.584 -1.211 0.000 1.153 374 A CA 0.919 52.127 52.037 -1.381 0.000 0.692 374 A CB -0.340 17.827 19.000 -1.388 0.000 0.799 374 A HN 0.648 nan 8.150 nan 0.000 0.458 375 F N -1.908 117.895 119.950 -0.245 0.000 2.815 375 F HA 0.237 4.767 4.527 0.005 0.000 0.328 375 F C 0.090 175.840 175.800 -0.084 0.000 0.982 375 F CA -0.464 57.442 58.000 -0.157 0.000 1.154 375 F CB 0.747 39.651 39.000 -0.160 0.000 0.980 375 F HN 0.040 nan 8.300 nan 0.000 0.603 376 D N 2.287 122.743 120.400 0.094 0.000 2.414 376 D HA 0.262 4.905 4.640 0.005 0.000 0.232 376 D C -2.017 174.297 176.300 0.022 0.000 1.070 376 D CA -2.509 51.524 54.000 0.055 0.000 0.839 376 D CB 1.880 42.711 40.800 0.051 0.000 1.079 376 D HN -0.088 nan 8.370 nan 0.000 0.521 377 P HA -0.084 nan 4.420 nan 0.000 0.230 377 P C 0.978 178.274 177.300 -0.007 0.000 1.158 377 P CA 0.578 63.682 63.100 0.007 0.000 0.769 377 P CB 0.140 31.845 31.700 0.008 0.000 0.807 378 S N -1.957 113.736 115.700 -0.012 0.000 2.558 378 S HA 0.093 4.566 4.470 0.005 0.000 0.217 378 S C 0.803 175.373 174.600 -0.050 0.000 0.975 378 S CA -0.075 58.110 58.200 -0.024 0.000 0.912 378 S CB -0.465 62.724 63.200 -0.018 0.000 0.776 378 S HN 0.082 nan 8.310 nan 0.000 0.526 379 K N 1.342 121.702 120.400 -0.067 0.000 2.182 379 K HA 0.514 4.837 4.320 0.005 0.000 0.262 379 K C -0.561 175.890 176.600 -0.249 0.000 0.957 379 K CA -0.669 55.524 56.287 -0.156 0.000 0.842 379 K CB 1.137 33.557 32.500 -0.133 0.000 1.099 379 K HN 0.036 nan 8.250 nan 0.000 0.438 380 K N 1.867 122.052 120.400 -0.358 0.000 2.400 380 K HA 0.478 4.801 4.320 0.005 0.000 0.246 380 K C -0.630 175.621 176.600 -0.582 0.000 0.995 380 K CA -0.852 55.221 56.287 -0.357 0.000 0.840 380 K CB 1.901 34.314 32.500 -0.144 0.000 1.293 380 K HN 0.602 nan 8.250 nan 0.000 0.445 381 H N 0.613 119.678 119.070 -0.008 0.000 2.865 381 H HA 0.371 4.930 4.556 0.005 0.000 0.372 381 H C -0.084 175.219 175.328 -0.042 0.000 1.173 381 H CA -0.788 55.245 56.048 -0.025 0.000 1.147 381 H CB 1.771 31.517 29.762 -0.026 0.000 1.805 381 H HN 0.251 nan 8.280 nan 0.000 0.553 382 R N 1.265 121.809 120.500 0.073 0.000 2.641 382 R HA 0.200 4.543 4.340 0.005 0.000 0.269 382 R C -2.303 173.979 176.300 -0.029 0.000 1.074 382 R CA -1.533 54.547 56.100 -0.033 0.000 1.133 382 R CB -0.060 30.196 30.300 -0.073 0.000 1.029 382 R HN 0.290 nan 8.270 nan 0.000 0.488 383 P HA -0.024 nan 4.420 nan 0.000 0.266 383 P C -0.656 176.728 177.300 0.139 0.000 1.195 383 P CA 0.376 63.466 63.100 -0.017 0.000 0.768 383 P CB 0.704 32.323 31.700 -0.134 0.000 0.838 384 T N -0.147 114.498 114.554 0.151 0.000 2.883 384 T HA 0.838 5.191 4.350 0.005 0.000 0.296 384 T C -0.645 174.020 174.700 -0.059 0.000 1.117 384 T CA -0.847 61.335 62.100 0.137 0.000 1.006 384 T CB 1.235 70.078 68.868 -0.043 0.000 1.191 384 T HN 0.120 nan 8.240 nan 0.000 0.508 385 M N 1.418 120.942 119.600 -0.127 0.000 2.569 385 M HA 0.461 4.944 4.480 0.005 0.000 0.279 385 M C -1.226 175.097 176.300 0.039 0.000 1.253 385 M CA -0.691 54.492 55.300 -0.195 0.000 0.867 385 M CB 2.298 34.436 32.600 -0.770 0.000 1.727 385 M HN 0.683 nan 8.290 nan 0.000 0.467 386 L N 0.582 121.898 121.223 0.155 0.000 2.439 386 L HA 0.368 4.711 4.340 0.005 0.000 0.261 386 L C 1.526 178.494 176.870 0.164 0.000 1.153 386 L CA -0.294 54.689 54.840 0.238 0.000 0.808 386 L CB 0.512 42.744 42.059 0.288 0.000 1.126 386 L HN 0.778 nan 8.230 nan 0.000 0.460 387 T N -0.596 114.146 114.554 0.314 0.000 2.685 387 T HA -0.213 4.140 4.350 0.005 0.000 0.268 387 T C 1.770 176.496 174.700 0.043 0.000 1.034 387 T CA 2.270 64.488 62.100 0.197 0.000 1.149 387 T CB -0.302 68.781 68.868 0.358 0.000 0.860 387 T HN 0.936 nan 8.240 nan 0.000 0.449 388 T N 0.321 114.946 114.554 0.118 0.000 2.951 388 T HA -0.078 4.275 4.350 0.005 0.000 0.268 388 T C 1.485 176.204 174.700 0.033 0.000 1.073 388 T CA 0.955 63.112 62.100 0.095 0.000 1.134 388 T CB -0.254 68.711 68.868 0.161 0.000 0.884 388 T HN 0.268 nan 8.240 nan 0.000 0.479 389 D N 1.833 122.267 120.400 0.057 0.000 2.097 389 D HA 0.015 4.658 4.640 0.005 0.000 0.197 389 D C 2.182 178.392 176.300 -0.151 0.000 0.984 389 D CA 0.839 54.857 54.000 0.031 0.000 0.826 389 D CB -0.283 40.591 40.800 0.123 0.000 0.973 389 D HN 0.365 nan 8.370 nan 0.000 0.460 390 L N 1.066 122.123 121.223 -0.276 0.000 2.191 390 L HA -0.134 4.209 4.340 0.005 0.000 0.212 390 L C 2.431 179.258 176.870 -0.072 0.000 1.103 390 L CA 0.597 55.257 54.840 -0.299 0.000 0.769 390 L CB -0.456 41.312 42.059 -0.484 0.000 0.908 390 L HN -0.059 nan 8.230 nan 0.000 0.438 391 S N 0.492 116.176 115.700 -0.028 0.000 2.407 391 S HA -0.181 4.292 4.470 0.005 0.000 0.235 391 S C 1.913 176.563 174.600 0.083 0.000 1.036 391 S CA 1.263 59.508 58.200 0.075 0.000 1.013 391 S CB -0.313 62.942 63.200 0.093 0.000 0.820 391 S HN 0.390 nan 8.310 nan 0.000 0.476 392 L N 0.477 121.664 121.223 -0.060 0.000 2.275 392 L HA 0.008 4.351 4.340 0.005 0.000 0.215 392 L C 2.580 179.394 176.870 -0.093 0.000 1.119 392 L CA 0.967 55.761 54.840 -0.077 0.000 0.790 392 L CB -0.353 41.653 42.059 -0.087 0.000 0.919 392 L HN 0.264 nan 8.230 nan 0.000 0.443 393 R N -0.255 120.069 120.500 -0.294 0.000 2.146 393 R HA 0.013 4.356 4.340 0.005 0.000 0.206 393 R C 1.819 177.819 176.300 -0.500 0.000 1.049 393 R CA 0.718 56.494 56.100 -0.540 0.000 1.029 393 R CB 0.080 29.762 30.300 -1.030 0.000 0.949 393 R HN 0.168 nan 8.270 nan 0.000 0.471 394 F N 0.640 120.565 119.950 -0.041 0.000 2.731 394 F HA 0.188 4.718 4.527 0.005 0.000 0.298 394 F C 0.609 176.405 175.800 -0.007 0.000 1.106 394 F CA -0.400 57.583 58.000 -0.029 0.000 1.329 394 F CB 0.389 39.341 39.000 -0.079 0.000 1.100 394 F HN -0.015 nan 8.300 nan 0.000 0.592 395 D N 1.852 122.334 120.400 0.137 0.000 2.317 395 D HA 0.056 4.699 4.640 0.005 0.000 0.252 395 D C -1.948 174.355 176.300 0.005 0.000 1.174 395 D CA -1.652 52.377 54.000 0.048 0.000 0.866 395 D CB 1.770 42.572 40.800 0.003 0.000 1.127 395 D HN -0.023 nan 8.370 nan 0.000 0.467 396 P HA -0.169 nan 4.420 nan 0.000 0.215 396 P C 0.980 178.250 177.300 -0.051 0.000 1.157 396 P CA 1.708 64.794 63.100 -0.023 0.000 0.874 396 P CB 0.177 31.861 31.700 -0.027 0.000 0.790 397 A N -1.837 120.915 122.820 -0.114 0.000 1.898 397 A HA -0.189 4.134 4.320 0.005 0.000 0.216 397 A C 2.200 179.753 177.584 -0.052 0.000 1.181 397 A CA 1.290 53.254 52.037 -0.122 0.000 0.620 397 A CB -1.838 17.046 19.000 -0.193 0.000 0.819 397 A HN 0.204 nan 8.150 nan 0.000 0.442 398 Y N -0.578 119.683 120.300 -0.065 0.000 2.224 398 Y HA -0.193 4.360 4.550 0.005 0.000 0.289 398 Y C 2.680 178.526 175.900 -0.091 0.000 1.146 398 Y CA 0.895 58.944 58.100 -0.086 0.000 1.182 398 Y CB 0.028 38.441 38.460 -0.077 0.000 0.983 398 Y HN 0.362 nan 8.280 nan 0.000 0.524 399 E N 1.440 121.698 120.200 0.096 0.000 2.118 399 E HA -0.227 4.126 4.350 0.005 0.000 0.195 399 E C 1.679 178.281 176.600 0.003 0.000 0.992 399 E CA 1.359 57.800 56.400 0.069 0.000 0.804 399 E CB -0.031 29.694 29.700 0.041 0.000 0.741 399 E HN 0.497 nan 8.360 nan 0.000 0.458 400 K N -0.078 120.294 120.400 -0.046 0.000 2.097 400 K HA -0.076 4.247 4.320 0.005 0.000 0.205 400 K C 2.349 178.837 176.600 -0.187 0.000 1.050 400 K CA 1.250 57.474 56.287 -0.105 0.000 0.938 400 K CB -0.065 32.383 32.500 -0.086 0.000 0.718 400 K HN 0.184 nan 8.250 nan 0.000 0.442 401 I N 0.608 121.050 120.570 -0.215 0.000 2.233 401 I HA -0.239 3.934 4.170 0.005 0.000 0.243 401 I C 2.217 177.933 176.117 -0.669 0.000 1.093 401 I CA 0.962 61.986 61.300 -0.461 0.000 1.380 401 I CB -0.256 37.508 38.000 -0.392 0.000 1.067 401 I HN 0.014 nan 8.210 nan 0.000 0.413 402 S N 0.444 115.903 115.700 -0.401 0.000 2.374 402 S HA -0.255 4.218 4.470 0.005 0.000 0.227 402 S C 2.113 176.432 174.600 -0.468 0.000 1.037 402 S CA 1.497 59.408 58.200 -0.481 0.000 1.024 402 S CB -0.420 62.768 63.200 -0.019 0.000 0.861 402 S HN 0.358 nan 8.310 nan 0.000 0.456 403 R N 0.992 121.325 120.500 -0.278 0.000 2.075 403 R HA -0.014 4.329 4.340 0.005 0.000 0.232 403 R C 2.533 178.664 176.300 -0.281 0.000 1.126 403 R CA 1.272 57.136 56.100 -0.394 0.000 0.963 403 R CB -0.179 29.882 30.300 -0.397 0.000 0.858 403 R HN 0.286 nan 8.270 nan 0.000 0.435 404 R N -0.330 120.000 120.500 -0.283 0.000 2.091 404 R HA -0.125 4.218 4.340 0.005 0.000 0.238 404 R C 2.097 178.368 176.300 -0.048 0.000 1.136 404 R CA 1.804 57.791 56.100 -0.188 0.000 0.959 404 R CB -0.317 29.845 30.300 -0.230 0.000 0.856 404 R HN 0.274 nan 8.270 nan 0.000 0.437 405 F N -1.226 118.566 119.950 -0.263 0.000 2.186 405 F HA -0.192 4.338 4.527 0.005 0.000 0.299 405 F C 2.473 178.121 175.800 -0.254 0.000 1.090 405 F CA 0.620 58.459 58.000 -0.269 0.000 1.307 405 F CB -0.210 38.453 39.000 -0.562 0.000 1.019 405 F HN 0.279 nan 8.300 nan 0.000 0.489 406 H N 0.854 119.733 119.070 -0.318 0.000 2.321 406 H HA -0.143 4.416 4.556 0.005 0.000 0.300 406 H C 1.809 177.090 175.328 -0.078 0.000 1.087 406 H CA 2.053 58.014 56.048 -0.145 0.000 1.319 406 H CB -0.196 29.455 29.762 -0.186 0.000 1.379 406 H HN 0.250 nan 8.280 nan 0.000 0.501 407 E N -0.616 119.482 120.200 -0.170 0.000 2.285 407 E HA 0.007 4.360 4.350 0.005 0.000 0.194 407 E C -0.071 176.469 176.600 -0.100 0.000 0.997 407 E CA 0.430 56.709 56.400 -0.202 0.000 0.845 407 E CB 0.320 29.922 29.700 -0.163 0.000 0.782 407 E HN 0.438 nan 8.360 nan 0.000 0.491 408 N N 0.926 119.615 118.700 -0.017 0.000 2.791 408 N HA 0.113 4.856 4.740 0.005 0.000 0.265 408 N C -2.363 173.204 175.510 0.095 0.000 1.580 408 N CA -0.962 52.112 53.050 0.040 0.000 0.809 408 N CB 1.420 39.956 38.487 0.081 0.000 1.178 408 N HN -0.016 nan 8.380 nan 0.000 0.499 409 P HA -0.162 nan 4.420 nan 0.000 0.220 409 P C 1.511 178.886 177.300 0.125 0.000 1.148 409 P CA 1.185 64.277 63.100 -0.012 0.000 0.803 409 P CB 0.386 31.707 31.700 -0.632 0.000 0.782 410 E N 0.895 121.156 120.200 0.102 0.000 2.153 410 E HA -0.224 4.129 4.350 0.005 0.000 0.194 410 E C 1.761 178.443 176.600 0.136 0.000 0.988 410 E CA 1.289 57.766 56.400 0.128 0.000 0.811 410 E CB -1.044 28.713 29.700 0.095 0.000 0.746 410 E HN 0.347 nan 8.360 nan 0.000 0.466 411 Q N -0.495 119.404 119.800 0.165 0.000 2.119 411 Q HA -0.088 4.255 4.340 0.005 0.000 0.201 411 Q C 2.027 178.102 176.000 0.126 0.000 0.972 411 Q CA 1.404 57.328 55.803 0.202 0.000 0.847 411 Q CB -0.306 28.612 28.738 0.300 0.000 0.903 411 Q HN 0.282 nan 8.270 nan 0.000 0.433 412 F N 1.383 121.222 119.950 -0.185 0.000 2.075 412 F HA -0.163 4.366 4.527 0.005 0.000 0.297 412 F C 2.120 177.877 175.800 -0.072 0.000 1.113 412 F CA 1.367 58.992 58.000 -0.624 0.000 1.218 412 F CB -0.850 37.981 39.000 -0.281 0.000 0.984 412 F HN -0.004 nan 8.300 nan 0.000 0.472 413 A N -0.128 122.703 122.820 0.019 0.000 1.892 413 A HA -0.287 4.036 4.320 0.005 0.000 0.218 413 A C 2.005 179.619 177.584 0.051 0.000 1.188 413 A CA 2.245 54.326 52.037 0.073 0.000 0.631 413 A CB -1.373 17.718 19.000 0.153 0.000 0.822 413 A HN 0.513 nan 8.150 nan 0.000 0.447 414 D N -0.695 119.729 120.400 0.040 0.000 2.117 414 D HA 0.034 4.677 4.640 0.005 0.000 0.198 414 D C 2.065 178.400 176.300 0.058 0.000 0.982 414 D CA 1.521 55.545 54.000 0.040 0.000 0.828 414 D CB -0.224 40.613 40.800 0.062 0.000 0.967 414 D HN 0.332 nan 8.370 nan 0.000 0.464 415 A N -0.233 122.633 122.820 0.077 0.000 1.902 415 A HA -0.133 4.190 4.320 0.005 0.000 0.217 415 A C 2.305 179.999 177.584 0.183 0.000 1.181 415 A CA 1.271 53.386 52.037 0.129 0.000 0.623 415 A CB -1.289 17.805 19.000 0.157 0.000 0.818 415 A HN 0.485 nan 8.150 nan 0.000 0.443 416 F N 0.580 120.517 119.950 -0.021 0.000 2.113 416 F HA -0.059 4.471 4.527 0.005 0.000 0.297 416 F C 2.580 178.465 175.800 0.140 0.000 1.103 416 F CA 1.102 59.099 58.000 -0.005 0.000 1.248 416 F CB -0.109 38.745 39.000 -0.244 0.000 0.999 416 F HN 0.294 nan 8.300 nan 0.000 0.475 417 A N 0.965 123.859 122.820 0.123 0.000 1.883 417 A HA -0.236 4.087 4.320 0.005 0.000 0.217 417 A C 2.183 179.796 177.584 0.049 0.000 1.186 417 A CA 1.942 54.041 52.037 0.103 0.000 0.624 417 A CB -0.801 18.230 19.000 0.052 0.000 0.822 417 A HN 0.473 nan 8.150 nan 0.000 0.444 418 R N -0.745 119.691 120.500 -0.106 0.000 2.075 418 R HA -0.022 4.321 4.340 0.005 0.000 0.232 418 R C 2.468 178.772 176.300 0.005 0.000 1.126 418 R CA 1.176 57.106 56.100 -0.282 0.000 0.963 418 R CB -0.427 29.691 30.300 -0.302 0.000 0.858 418 R HN 0.512 nan 8.270 nan 0.000 0.435 419 A N 0.816 123.685 122.820 0.083 0.000 1.969 419 A HA -0.173 4.150 4.320 0.005 0.000 0.218 419 A C 1.857 179.516 177.584 0.124 0.000 1.169 419 A CA 0.758 52.860 52.037 0.108 0.000 0.635 419 A CB -0.825 18.294 19.000 0.198 0.000 0.810 419 A HN 0.603 nan 8.150 nan 0.000 0.445 420 W N -0.385 120.886 121.300 -0.048 0.000 2.358 420 W HA -0.223 4.440 4.660 0.005 0.000 0.303 420 W C 1.808 178.372 176.519 0.074 0.000 1.208 420 W CA 1.743 59.052 57.345 -0.059 0.000 1.274 420 W CB -0.419 28.850 29.460 -0.319 0.000 1.138 420 W HN 0.409 nan 8.180 nan 0.000 0.515 421 F N 2.056 122.054 119.950 0.080 0.000 2.102 421 F HA -0.180 4.349 4.527 0.004 0.000 0.298 421 F C 2.632 178.431 175.800 -0.001 0.000 1.105 421 F CA 2.714 60.770 58.000 0.093 0.000 1.239 421 F CB -0.833 38.297 39.000 0.218 0.000 0.991 421 F HN -0.230 nan 8.300 nan 0.000 0.474 422 K N 0.279 120.560 120.400 -0.197 0.000 2.009 422 K HA -0.241 4.082 4.320 0.005 0.000 0.210 422 K C 2.204 178.368 176.600 -0.727 0.000 1.049 422 K CA 1.846 57.641 56.287 -0.820 0.000 0.929 422 K CB -0.726 31.246 32.500 -0.880 0.000 0.714 422 K HN 0.350 nan 8.250 nan 0.000 0.440 423 L N 1.373 122.331 121.223 -0.442 0.000 2.021 423 L HA -0.229 4.114 4.340 0.005 0.000 0.215 423 L C 2.184 178.781 176.870 -0.455 0.000 1.074 423 L CA 2.833 57.463 54.840 -0.350 0.000 0.760 423 L CB -1.067 40.871 42.059 -0.202 0.000 0.889 423 L HN 0.518 nan 8.230 nan 0.000 0.433 424 T N -5.356 108.876 114.554 -0.537 0.000 3.100 424 T HA 0.018 4.371 4.350 0.005 0.000 0.253 424 T C 1.050 175.337 174.700 -0.688 0.000 1.118 424 T CA 0.958 62.714 62.100 -0.574 0.000 1.058 424 T CB -0.480 68.000 68.868 -0.646 0.000 0.953 424 T HN 0.556 nan 8.240 nan 0.000 0.515 425 H N 0.250 118.932 119.070 -0.646 0.000 3.058 425 H HA 0.355 4.914 4.556 0.005 0.000 0.266 425 H C 2.139 177.245 175.328 -0.369 0.000 1.135 425 H CA -0.365 55.342 56.048 -0.569 0.000 1.174 425 H CB 0.265 29.552 29.762 -0.792 0.000 1.581 425 H HN 0.350 nan 8.280 nan 0.000 0.553 426 R N 0.858 121.073 120.500 -0.475 0.000 2.159 426 R HA -0.100 4.243 4.340 0.005 0.000 0.237 426 R C 0.214 176.303 176.300 -0.351 0.000 1.131 426 R CA 1.813 57.612 56.100 -0.502 0.000 0.982 426 R CB -0.227 29.599 30.300 -0.791 0.000 0.868 426 R HN 0.287 nan 8.270 nan 0.000 0.453 427 D N -0.009 120.146 120.400 -0.408 0.000 2.368 427 D HA 0.015 4.658 4.640 0.005 0.000 0.218 427 D C 1.405 177.625 176.300 -0.134 0.000 1.112 427 D CA -0.010 53.844 54.000 -0.244 0.000 0.834 427 D CB 0.060 40.719 40.800 -0.235 0.000 0.953 427 D HN 0.252 nan 8.370 nan 0.000 0.505 428 M N 0.271 119.811 119.600 -0.100 0.000 2.558 428 M HA 0.193 4.676 4.480 0.005 0.000 0.255 428 M C 0.981 177.264 176.300 -0.029 0.000 1.113 428 M CA 0.757 56.008 55.300 -0.082 0.000 1.097 428 M CB 0.156 32.679 32.600 -0.129 0.000 1.426 428 M HN 0.300 nan 8.290 nan 0.000 0.488 429 G N 0.922 109.732 108.800 0.017 0.000 2.584 429 G HA2 -0.188 3.775 3.960 0.005 0.000 0.229 429 G HA3 -0.188 3.775 3.960 0.005 0.000 0.229 429 G C -2.821 172.065 174.900 -0.023 0.000 1.320 429 G CA -1.197 43.880 45.100 -0.038 0.000 0.891 429 G HN 0.169 nan 8.290 nan 0.000 0.573 430 P HA 0.255 nan 4.420 nan 0.000 0.267 430 P C 1.054 178.180 177.300 -0.290 0.000 1.200 430 P CA -0.035 62.993 63.100 -0.121 0.000 0.772 430 P CB 0.313 32.028 31.700 0.025 0.000 0.855 431 R N 2.534 122.744 120.500 -0.482 0.000 2.170 431 R HA -0.200 4.143 4.340 0.005 0.000 0.242 431 R C 1.961 178.006 176.300 -0.423 0.000 1.145 431 R CA 1.637 57.230 56.100 -0.845 0.000 0.984 431 R CB -0.853 29.068 30.300 -0.631 0.000 0.869 431 R HN 0.534 nan 8.270 nan 0.000 0.455 432 A N 1.279 123.981 122.820 -0.197 0.000 2.032 432 A HA -0.192 4.131 4.320 0.005 0.000 0.221 432 A C 1.907 179.476 177.584 -0.025 0.000 1.165 432 A CA 1.277 53.275 52.037 -0.064 0.000 0.645 432 A CB -0.325 18.692 19.000 0.029 0.000 0.807 432 A HN 0.277 nan 8.150 nan 0.000 0.453 433 R N -1.916 118.547 120.500 -0.061 0.000 2.275 433 R HA 0.038 4.381 4.340 0.005 0.000 0.199 433 R C -0.464 175.909 176.300 0.122 0.000 0.989 433 R CA -0.042 56.042 56.100 -0.026 0.000 1.016 433 R CB -0.066 30.122 30.300 -0.187 0.000 0.918 433 R HN 0.491 nan 8.270 nan 0.000 0.473 434 Y N 1.473 121.718 120.300 -0.092 0.000 2.402 434 Y HA 0.191 4.745 4.550 0.006 0.000 0.333 434 Y C 0.583 176.448 175.900 -0.057 0.000 1.076 434 Y CA -0.657 57.398 58.100 -0.076 0.000 1.299 434 Y CB 0.210 38.655 38.460 -0.025 0.000 1.197 434 Y HN -0.124 nan 8.280 nan 0.000 0.517 435 L N 2.269 123.515 121.223 0.038 0.000 2.333 435 L HA 0.889 5.232 4.340 0.005 0.000 0.269 435 L C 0.564 177.574 176.870 0.233 0.000 1.010 435 L CA -0.895 54.002 54.840 0.095 0.000 0.818 435 L CB 1.918 43.997 42.059 0.033 0.000 1.306 435 L HN 0.800 nan 8.230 nan 0.000 0.430 436 G N 1.703 110.684 108.800 0.302 0.000 2.655 436 G HA2 -0.108 3.855 3.960 0.005 0.000 0.680 436 G HA3 -0.108 3.855 3.960 0.005 0.000 0.680 436 G C -2.480 172.520 174.900 0.168 0.000 1.302 436 G CA -0.337 44.949 45.100 0.311 0.000 0.872 436 G HN 0.531 nan 8.290 nan 0.000 0.540 437 P HA 0.194 nan 4.420 nan 0.000 0.255 437 P C 0.590 177.934 177.300 0.072 0.000 1.248 437 P CA 0.809 63.951 63.100 0.071 0.000 0.807 437 P CB 0.367 32.089 31.700 0.037 0.000 1.150 438 E N -0.254 120.025 120.200 0.132 0.000 2.499 438 E HA 0.144 4.497 4.350 0.005 0.000 0.199 438 E C -0.169 176.475 176.600 0.072 0.000 1.016 438 E CA -0.247 56.221 56.400 0.113 0.000 0.933 438 E CB 0.861 30.692 29.700 0.219 0.000 1.050 438 E HN 0.023 nan 8.360 nan 0.000 0.462 439 V N 3.778 123.732 119.914 0.067 0.000 2.521 439 V HA 0.066 4.189 4.120 0.005 0.000 0.286 439 V C -2.004 174.045 176.094 -0.075 0.000 1.034 439 V CA -1.281 61.054 62.300 0.059 0.000 1.045 439 V CB 0.124 32.031 31.823 0.141 0.000 0.974 439 V HN 0.086 nan 8.190 nan 0.000 0.480 440 P HA 0.206 nan 4.420 nan 0.000 0.271 440 P C 0.482 177.650 177.300 -0.221 0.000 1.216 440 P CA -0.148 62.711 63.100 -0.401 0.000 0.771 440 P CB 0.987 32.230 31.700 -0.763 0.000 0.864 441 A N 2.816 125.513 122.820 -0.206 0.000 2.015 441 A HA -0.135 4.188 4.320 0.005 0.000 0.219 441 A C 1.065 178.582 177.584 -0.111 0.000 1.163 441 A CA 0.713 52.672 52.037 -0.130 0.000 0.646 441 A CB -0.791 18.142 19.000 -0.112 0.000 0.806 441 A HN 0.654 nan 8.150 nan 0.000 0.448 442 E N 0.650 120.777 120.200 -0.122 0.000 2.417 442 E HA 0.269 4.622 4.350 0.005 0.000 0.261 442 E C -1.047 175.533 176.600 -0.034 0.000 1.000 442 E CA -0.320 56.056 56.400 -0.039 0.000 0.919 442 E CB 0.490 30.228 29.700 0.064 0.000 0.955 442 E HN 0.141 nan 8.360 nan 0.000 0.455 443 V N 6.723 126.603 119.914 -0.055 0.000 2.461 443 V HA 0.214 4.337 4.120 0.005 0.000 0.275 443 V C 0.223 176.250 176.094 -0.111 0.000 1.047 443 V CA -0.300 61.937 62.300 -0.106 0.000 0.955 443 V CB 0.783 32.541 31.823 -0.107 0.000 0.988 443 V HN 0.566 nan 8.190 nan 0.000 0.471 444 L N 4.582 125.667 121.223 -0.230 0.000 2.334 444 L HA 0.399 4.742 4.340 0.005 0.000 0.276 444 L C 0.907 177.572 176.870 -0.340 0.000 1.014 444 L CA -0.683 53.989 54.840 -0.281 0.000 0.815 444 L CB 1.603 43.391 42.059 -0.452 0.000 1.268 444 L HN 0.464 nan 8.230 nan 0.000 0.428 445 L N 3.271 124.413 121.223 -0.134 0.000 2.079 445 L HA -0.177 4.166 4.340 0.005 0.000 0.210 445 L C 2.104 178.968 176.870 -0.010 0.000 1.081 445 L CA 1.926 56.743 54.840 -0.037 0.000 0.752 445 L CB -0.561 41.535 42.059 0.063 0.000 0.896 445 L HN 0.792 nan 8.230 nan 0.000 0.433 446 W N -1.065 120.276 121.300 0.068 0.000 2.611 446 W HA -0.128 4.535 4.660 0.004 0.000 0.251 446 W C 1.296 177.852 176.519 0.060 0.000 1.265 446 W CA 0.320 57.706 57.345 0.067 0.000 1.295 446 W CB -1.134 28.368 29.460 0.070 0.000 1.129 446 W HN 0.343 nan 8.180 nan 0.000 0.630 447 Q N 0.957 120.503 119.800 -0.423 0.000 2.415 447 Q HA -0.049 4.294 4.340 0.005 0.000 0.206 447 Q C -0.286 175.643 176.000 -0.119 0.000 0.946 447 Q CA 0.430 56.023 55.803 -0.350 0.000 0.951 447 Q CB -0.360 28.012 28.738 -0.609 0.000 1.026 447 Q HN 0.057 nan 8.270 nan 0.000 0.510 448 D N 1.204 121.578 120.400 -0.043 0.000 2.697 448 D HA -0.132 4.511 4.640 0.005 0.000 0.235 448 D C -2.406 173.868 176.300 -0.044 0.000 1.167 448 D CA 0.502 54.498 54.000 -0.007 0.000 0.656 448 D CB -0.772 40.052 40.800 0.040 0.000 1.025 448 D HN 0.309 nan 8.370 nan 0.000 0.419 449 P HA 0.133 nan 4.420 nan 0.000 0.268 449 P C 0.402 177.668 177.300 -0.057 0.000 1.208 449 P CA 0.040 63.083 63.100 -0.095 0.000 0.777 449 P CB 0.866 32.500 31.700 -0.109 0.000 0.875 450 I N 3.275 123.810 120.570 -0.058 0.000 2.436 450 I HA 0.278 4.451 4.170 0.005 0.000 0.289 450 I C -2.025 174.068 176.117 -0.040 0.000 1.010 450 I CA -2.604 58.674 61.300 -0.037 0.000 1.098 450 I CB 1.738 39.723 38.000 -0.025 0.000 1.266 450 I HN 0.180 nan 8.210 nan 0.000 0.434 451 P HA 0.119 nan 4.420 nan 0.000 0.267 451 P C -0.496 176.788 177.300 -0.027 0.000 1.200 451 P CA -0.302 62.785 63.100 -0.023 0.000 0.772 451 P CB 0.504 32.202 31.700 -0.004 0.000 0.855 452 A N 2.539 125.340 122.820 -0.033 0.000 2.445 452 A HA 0.249 4.572 4.320 0.005 0.000 0.242 452 A C 0.060 177.618 177.584 -0.044 0.000 1.075 452 A CA -0.379 51.632 52.037 -0.043 0.000 0.777 452 A CB -0.004 18.970 19.000 -0.045 0.000 1.013 452 A HN 0.401 nan 8.150 nan 0.000 0.493 453 V N 2.851 122.716 119.914 -0.082 0.000 2.530 453 V HA 0.195 4.318 4.120 0.005 0.000 0.282 453 V C 0.330 176.325 176.094 -0.166 0.000 1.048 453 V CA 0.565 62.767 62.300 -0.162 0.000 0.997 453 V CB 1.114 32.788 31.823 -0.247 0.000 0.987 453 V HN 1.019 nan 8.190 nan 0.000 0.477 454 D N 2.471 122.787 120.400 -0.140 0.000 2.599 454 D HA 0.140 4.783 4.640 0.005 0.000 0.249 454 D C -0.006 176.296 176.300 0.003 0.000 1.313 454 D CA -0.245 53.725 54.000 -0.050 0.000 0.815 454 D CB 0.026 40.837 40.800 0.019 0.000 1.077 454 D HN 0.780 nan 8.370 nan 0.000 0.492 455 H N -2.713 116.362 119.070 0.008 0.000 2.946 455 H HA 0.740 5.299 4.556 0.005 0.000 0.365 455 H C -3.017 172.323 175.328 0.019 0.000 1.197 455 H CA -2.059 53.998 56.048 0.015 0.000 1.131 455 H CB -0.048 29.727 29.762 0.023 0.000 1.849 455 H HN -0.342 nan 8.280 nan 0.000 0.555 456 P HA 0.028 nan 4.420 nan 0.000 0.265 456 P C -0.314 177.113 177.300 0.211 0.000 1.193 456 P CA 0.074 63.245 63.100 0.117 0.000 0.765 456 P CB 0.527 32.296 31.700 0.115 0.000 0.823 457 L N 3.475 124.759 121.223 0.102 0.000 2.418 457 L HA 0.332 4.675 4.340 0.005 0.000 0.265 457 L C 1.177 178.143 176.870 0.159 0.000 1.143 457 L CA -1.037 53.884 54.840 0.135 0.000 0.809 457 L CB 0.147 42.234 42.059 0.047 0.000 1.124 457 L HN 0.377 nan 8.230 nan 0.000 0.456 458 I N -1.108 119.574 120.570 0.186 0.000 2.813 458 I HA 0.101 4.274 4.170 0.005 0.000 0.287 458 I C -0.101 176.100 176.117 0.140 0.000 1.196 458 I CA -0.525 60.884 61.300 0.181 0.000 1.421 458 I CB 0.299 38.381 38.000 0.137 0.000 1.365 458 I HN 0.596 nan 8.210 nan 0.000 0.591 459 D N 4.084 124.561 120.400 0.129 0.000 2.588 459 D HA 0.528 5.171 4.640 0.005 0.000 0.268 459 D C 0.863 177.223 176.300 0.100 0.000 1.176 459 D CA -0.321 53.739 54.000 0.099 0.000 1.080 459 D CB 0.932 41.780 40.800 0.080 0.000 1.186 459 D HN 0.588 nan 8.370 nan 0.000 0.619 460 A N -0.433 122.436 122.820 0.081 0.000 1.969 460 A HA 0.133 4.456 4.320 0.005 0.000 0.218 460 A C 2.114 179.736 177.584 0.062 0.000 1.169 460 A CA 2.082 54.164 52.037 0.075 0.000 0.635 460 A CB -1.351 17.685 19.000 0.060 0.000 0.810 460 A HN 0.640 nan 8.150 nan 0.000 0.445 461 A N 0.215 123.074 122.820 0.064 0.000 1.902 461 A HA -0.168 4.155 4.320 0.005 0.000 0.217 461 A C 1.760 179.390 177.584 0.077 0.000 1.181 461 A CA 1.782 53.857 52.037 0.063 0.000 0.623 461 A CB -0.500 18.538 19.000 0.063 0.000 0.818 461 A HN 0.460 nan 8.150 nan 0.000 0.443 462 D N 0.205 120.669 120.400 0.107 0.000 2.117 462 D HA -0.049 4.594 4.640 0.005 0.000 0.198 462 D C 2.235 178.527 176.300 -0.014 0.000 0.982 462 D CA 1.482 55.563 54.000 0.136 0.000 0.828 462 D CB -0.480 40.448 40.800 0.214 0.000 0.967 462 D HN 0.421 nan 8.370 nan 0.000 0.464 463 A N 1.200 124.012 122.820 -0.014 0.000 1.933 463 A HA -0.071 4.252 4.320 0.005 0.000 0.218 463 A C 2.328 179.860 177.584 -0.087 0.000 1.175 463 A CA 2.223 54.208 52.037 -0.088 0.000 0.628 463 A CB -0.638 18.364 19.000 0.004 0.000 0.814 463 A HN 0.244 nan 8.150 nan 0.000 0.444 464 A N -0.406 122.400 122.820 -0.024 0.000 1.898 464 A HA -0.162 4.161 4.320 0.005 0.000 0.216 464 A C 2.047 179.620 177.584 -0.019 0.000 1.181 464 A CA 1.749 53.776 52.037 -0.016 0.000 0.620 464 A CB -0.531 18.475 19.000 0.011 0.000 0.819 464 A HN 0.682 nan 8.150 nan 0.000 0.442 465 E N -0.081 120.121 120.200 0.003 0.000 2.051 465 E HA -0.184 4.169 4.350 0.005 0.000 0.192 465 E C 1.942 178.530 176.600 -0.020 0.000 0.991 465 E CA 1.278 57.693 56.400 0.026 0.000 0.799 465 E CB -0.233 29.531 29.700 0.107 0.000 0.748 465 E HN 0.604 nan 8.360 nan 0.000 0.449 466 L N 0.605 121.765 121.223 -0.106 0.000 2.046 466 L HA -0.184 4.159 4.340 0.005 0.000 0.208 466 L C 2.664 179.454 176.870 -0.134 0.000 1.077 466 L CA 1.321 56.052 54.840 -0.180 0.000 0.747 466 L CB -0.279 41.563 42.059 -0.361 0.000 0.896 466 L HN 0.070 nan 8.230 nan 0.000 0.432 467 K N -0.116 120.207 120.400 -0.128 0.000 2.097 467 K HA -0.139 4.184 4.320 0.005 0.000 0.206 467 K C 2.235 178.799 176.600 -0.059 0.000 1.049 467 K CA 1.307 57.533 56.287 -0.101 0.000 0.933 467 K CB -0.242 32.202 32.500 -0.094 0.000 0.717 467 K HN 0.294 nan 8.250 nan 0.000 0.442 468 A N 1.845 124.640 122.820 -0.041 0.000 1.902 468 A HA -0.192 4.131 4.320 0.005 0.000 0.217 468 A C 1.918 179.491 177.584 -0.017 0.000 1.181 468 A CA 1.521 53.546 52.037 -0.021 0.000 0.623 468 A CB -0.268 18.728 19.000 -0.007 0.000 0.818 468 A HN 0.179 nan 8.150 nan 0.000 0.443 469 K N -0.518 119.872 120.400 -0.018 0.000 2.057 469 K HA -0.054 4.269 4.320 0.005 0.000 0.207 469 K C 1.862 178.451 176.600 -0.019 0.000 1.049 469 K CA 1.305 57.586 56.287 -0.009 0.000 0.931 469 K CB -0.333 32.170 32.500 0.004 0.000 0.714 469 K HN 0.280 nan 8.250 nan 0.000 0.440 470 V N 1.749 121.640 119.914 -0.037 0.000 2.287 470 V HA -0.252 3.871 4.120 0.005 0.000 0.248 470 V C 2.139 178.218 176.094 -0.024 0.000 1.053 470 V CA 1.700 63.978 62.300 -0.036 0.000 1.027 470 V CB -0.364 31.425 31.823 -0.056 0.000 0.646 470 V HN 0.293 nan 8.190 nan 0.000 0.447 471 L N -0.070 121.138 121.223 -0.026 0.000 2.201 471 L HA -0.069 4.274 4.340 0.005 0.000 0.212 471 L C 2.484 179.347 176.870 -0.012 0.000 1.105 471 L CA 1.247 56.076 54.840 -0.019 0.000 0.775 471 L CB -0.634 41.412 42.059 -0.021 0.000 0.913 471 L HN 0.359 nan 8.230 nan 0.000 0.440 472 A N -0.285 122.529 122.820 -0.009 0.000 2.167 472 A HA -0.089 4.234 4.320 0.005 0.000 0.214 472 A C 2.415 179.998 177.584 -0.002 0.000 1.151 472 A CA 1.120 53.154 52.037 -0.004 0.000 0.735 472 A CB -0.354 18.645 19.000 -0.001 0.000 0.802 472 A HN 0.477 nan 8.150 nan 0.000 0.467 473 S N -1.729 113.968 115.700 -0.004 0.000 2.453 473 S HA 0.292 4.765 4.470 0.005 0.000 0.231 473 S C 1.578 176.178 174.600 -0.001 0.000 1.005 473 S CA 1.266 59.465 58.200 -0.002 0.000 0.949 473 S CB -0.335 62.863 63.200 -0.003 0.000 0.774 473 S HN 1.799 nan 8.310 nan 0.000 0.510 474 G N 0.608 109.407 108.800 -0.002 0.000 2.176 474 G HA2 -0.206 3.757 3.960 0.005 0.000 0.232 474 G HA3 -0.206 3.757 3.960 0.005 0.000 0.232 474 G C -0.023 174.876 174.900 -0.001 0.000 0.986 474 G CA 0.022 45.121 45.100 -0.001 0.000 0.643 474 G HN 0.525 nan 8.290 nan 0.000 0.522 475 L N 2.215 123.437 121.223 -0.002 0.000 2.485 475 L HA 0.402 4.745 4.340 0.005 0.000 0.275 475 L C 1.640 178.508 176.870 -0.003 0.000 1.207 475 L CA 0.718 55.558 54.840 0.000 0.000 0.855 475 L CB 0.556 42.615 42.059 0.001 0.000 1.114 475 L HN 0.458 nan 8.230 nan 0.000 0.485 476 T N -0.699 113.855 114.554 -0.000 0.000 2.902 476 T HA 0.261 4.614 4.350 0.005 0.000 0.280 476 T C 1.279 175.972 174.700 -0.012 0.000 0.992 476 T CA -0.977 61.120 62.100 -0.006 0.000 1.015 476 T CB 1.590 70.456 68.868 -0.003 0.000 1.044 476 T HN 0.241 nan 8.240 nan 0.000 0.520 477 V N 1.585 121.484 119.914 -0.025 0.000 2.282 477 V HA -0.208 3.915 4.120 0.005 0.000 0.249 477 V C 3.049 179.123 176.094 -0.034 0.000 1.057 477 V CA 2.607 64.881 62.300 -0.043 0.000 1.032 477 V CB -1.218 30.567 31.823 -0.063 0.000 0.645 477 V HN 1.117 nan 8.190 nan 0.000 0.447 478 S N -1.141 114.545 115.700 -0.024 0.000 2.370 478 S HA -0.307 4.166 4.470 0.005 0.000 0.226 478 S C 2.037 176.651 174.600 0.023 0.000 1.033 478 S CA 2.193 60.388 58.200 -0.008 0.000 1.011 478 S CB -0.266 62.929 63.200 -0.008 0.000 0.852 478 S HN 0.709 nan 8.310 nan 0.000 0.457 479 Q N 0.110 119.924 119.800 0.023 0.000 2.084 479 Q HA -0.034 4.309 4.340 0.005 0.000 0.202 479 Q C 2.345 178.381 176.000 0.060 0.000 0.978 479 Q CA 1.746 57.573 55.803 0.039 0.000 0.844 479 Q CB -0.278 28.476 28.738 0.027 0.000 0.898 479 Q HN 0.541 nan 8.270 nan 0.000 0.426 480 L N -0.434 120.817 121.223 0.047 0.000 2.027 480 L HA -0.159 4.184 4.340 0.005 0.000 0.206 480 L C 2.344 179.295 176.870 0.135 0.000 1.074 480 L CA 0.682 55.562 54.840 0.067 0.000 0.745 480 L CB -0.429 41.647 42.059 0.028 0.000 0.898 480 L HN 0.085 nan 8.230 nan 0.000 0.433 481 V N -0.813 119.159 119.914 0.097 0.000 2.295 481 V HA -0.262 3.861 4.120 0.005 0.000 0.246 481 V C 2.584 178.880 176.094 0.338 0.000 1.049 481 V CA 2.050 64.454 62.300 0.173 0.000 1.024 481 V CB -0.399 31.402 31.823 -0.036 0.000 0.648 481 V HN 0.374 nan 8.190 nan 0.000 0.447 482 S N -0.155 115.674 115.700 0.215 0.000 2.368 482 S HA -0.209 4.264 4.470 0.005 0.000 0.225 482 S C 2.079 176.840 174.600 0.268 0.000 1.030 482 S CA 2.002 60.347 58.200 0.242 0.000 0.999 482 S CB -0.490 62.796 63.200 0.143 0.000 0.844 482 S HN 0.697 nan 8.310 nan 0.000 0.459 483 T N 2.467 117.137 114.554 0.193 0.000 2.708 483 T HA -0.043 4.310 4.350 0.005 0.000 0.266 483 T C 2.168 176.963 174.700 0.159 0.000 1.037 483 T CA 1.281 63.469 62.100 0.146 0.000 1.146 483 T CB -0.543 68.383 68.868 0.097 0.000 0.865 483 T HN 0.469 nan 8.240 nan 0.000 0.435 484 A N 1.247 124.205 122.820 0.231 0.000 1.902 484 A HA -0.092 4.231 4.320 0.005 0.000 0.217 484 A C 2.151 179.804 177.584 0.115 0.000 1.181 484 A CA 1.224 53.378 52.037 0.195 0.000 0.623 484 A CB -1.087 18.136 19.000 0.372 0.000 0.818 484 A HN 0.756 nan 8.150 nan 0.000 0.443 485 W N 0.855 122.227 121.300 0.119 0.000 2.335 485 W HA -0.212 4.451 4.660 0.004 0.000 0.311 485 W C 2.252 178.781 176.519 0.016 0.000 1.213 485 W CA 2.068 59.430 57.345 0.028 0.000 1.274 485 W CB -0.333 29.234 29.460 0.179 0.000 1.148 485 W HN 0.424 nan 8.180 nan 0.000 0.498 486 A N 1.086 123.950 122.820 0.073 0.000 1.908 486 A HA -0.138 4.185 4.320 0.005 0.000 0.218 486 A C 2.169 179.696 177.584 -0.094 0.000 1.181 486 A CA 2.900 54.935 52.037 -0.002 0.000 0.627 486 A CB -1.340 17.723 19.000 0.105 0.000 0.818 486 A HN 0.358 nan 8.150 nan 0.000 0.445 487 A N -0.473 122.297 122.820 -0.083 0.000 1.873 487 A HA 0.226 4.549 4.320 0.005 0.000 0.215 487 A C 2.478 179.964 177.584 -0.164 0.000 1.186 487 A CA 2.085 54.065 52.037 -0.096 0.000 0.616 487 A CB -0.918 18.044 19.000 -0.063 0.000 0.823 487 A HN 1.054 nan 8.150 nan 0.000 0.442 488 A N -0.123 122.531 122.820 -0.276 0.000 1.975 488 A HA 0.074 4.397 4.320 0.005 0.000 0.215 488 A C 2.264 179.597 177.584 -0.418 0.000 1.170 488 A CA 1.678 53.509 52.037 -0.343 0.000 0.656 488 A CB -0.664 18.067 19.000 -0.448 0.000 0.821 488 A HN 0.954 nan 8.150 nan 0.000 0.449 489 S N -0.006 115.293 115.700 -0.669 0.000 2.603 489 S HA -0.062 4.411 4.470 0.005 0.000 0.220 489 S C 1.530 175.941 174.600 -0.314 0.000 0.967 489 S CA 1.164 58.899 58.200 -0.776 0.000 0.920 489 S CB -1.063 61.156 63.200 -1.636 0.000 0.773 489 S HN 0.680 nan 8.310 nan 0.000 0.529 490 T N -1.336 113.131 114.554 -0.145 0.000 3.072 490 T HA 0.111 4.464 4.350 0.005 0.000 0.266 490 T C 0.347 175.064 174.700 0.028 0.000 1.127 490 T CA -0.251 61.853 62.100 0.007 0.000 1.107 490 T CB -0.874 68.056 68.868 0.103 0.000 0.910 490 T HN 0.383 nan 8.240 nan 0.000 0.513 491 F N 4.331 124.214 119.950 -0.112 0.000 2.572 491 F HA 0.287 4.816 4.527 0.004 0.000 0.370 491 F C 0.743 176.516 175.800 -0.044 0.000 1.103 491 F CA -0.848 57.111 58.000 -0.068 0.000 1.286 491 F CB 0.547 39.481 39.000 -0.109 0.000 1.105 491 F HN 0.207 nan 8.300 nan 0.000 0.583 492 R N 4.163 124.159 120.500 -0.839 0.000 2.574 492 R HA 0.485 4.828 4.340 0.005 0.000 0.288 492 R C 0.251 176.052 176.300 -0.832 0.000 1.004 492 R CA -0.484 55.287 56.100 -0.549 0.000 0.895 492 R CB 1.171 31.314 30.300 -0.261 0.000 1.191 492 R HN 0.746 nan 8.270 nan 0.000 0.444 493 G N 1.141 109.750 108.800 -0.318 0.000 2.598 493 G HA2 -0.223 3.740 3.960 0.005 0.000 0.215 493 G HA3 -0.223 3.740 3.960 0.005 0.000 0.215 493 G C 1.184 176.046 174.900 -0.062 0.000 1.131 493 G CA 0.653 45.725 45.100 -0.046 0.000 0.785 493 G HN 0.749 nan 8.290 nan 0.000 0.539 494 S N 1.630 117.272 115.700 -0.098 0.000 2.353 494 S HA -0.167 4.306 4.470 0.005 0.000 0.222 494 S C 1.638 176.222 174.600 -0.026 0.000 1.035 494 S CA 1.770 59.937 58.200 -0.054 0.000 1.025 494 S CB -0.183 62.979 63.200 -0.064 0.000 0.902 494 S HN 0.486 nan 8.310 nan 0.000 0.440 495 D N -0.370 120.004 120.400 -0.044 0.000 2.503 495 D HA 0.189 4.832 4.640 0.005 0.000 0.218 495 D C 0.066 176.326 176.300 -0.068 0.000 1.183 495 D CA -0.263 53.739 54.000 0.002 0.000 0.827 495 D CB -0.544 40.362 40.800 0.177 0.000 1.034 495 D HN 0.442 nan 8.370 nan 0.000 0.510 496 K N 0.184 120.472 120.400 -0.186 0.000 3.069 496 K HA -0.220 4.103 4.320 0.005 0.000 0.267 496 K C -0.148 176.388 176.600 -0.106 0.000 1.082 496 K CA 0.582 56.764 56.287 -0.175 0.000 0.782 496 K CB -1.206 31.317 32.500 0.038 0.000 1.230 496 K HN 0.334 nan 8.250 nan 0.000 0.488 497 R N 0.183 120.572 120.500 -0.185 0.000 2.549 497 R HA 0.555 4.898 4.340 0.005 0.000 0.267 497 R C 0.952 177.206 176.300 -0.077 0.000 1.045 497 R CA 0.137 56.209 56.100 -0.046 0.000 1.115 497 R CB 1.180 31.488 30.300 0.013 0.000 1.121 497 R HN 0.323 nan 8.270 nan 0.000 0.543 498 G N -0.375 108.464 108.800 0.065 0.000 2.698 498 G HA2 0.203 4.166 3.960 0.005 0.000 0.225 498 G HA3 0.203 4.166 3.960 0.005 0.000 0.225 498 G C -0.029 175.005 174.900 0.224 0.000 1.345 498 G CA -0.423 44.740 45.100 0.105 0.000 0.871 498 G HN 1.152 nan 8.290 nan 0.000 0.540 499 G N -2.742 106.152 108.800 0.156 0.000 2.592 499 G HA2 0.477 4.440 3.960 0.005 0.000 0.684 499 G HA3 0.477 4.440 3.960 0.005 0.000 0.684 499 G C 0.934 175.825 174.900 -0.014 0.000 1.291 499 G CA 1.000 46.146 45.100 0.077 0.000 0.891 499 G HN 2.449 nan 8.290 nan 0.000 0.544 500 A N -0.255 122.517 122.820 -0.080 0.000 2.123 500 A HA 0.294 4.617 4.320 0.005 0.000 0.214 500 A C 1.286 178.842 177.584 -0.046 0.000 1.152 500 A CA 1.561 53.552 52.037 -0.077 0.000 0.728 500 A CB -0.304 18.631 19.000 -0.108 0.000 0.814 500 A HN 1.143 nan 8.150 nan 0.000 0.464 501 N N -0.136 118.540 118.700 -0.040 0.000 2.454 501 N HA 0.318 5.061 4.740 0.005 0.000 0.254 501 N C 1.134 176.639 175.510 -0.009 0.000 1.228 501 N CA 1.550 54.586 53.050 -0.024 0.000 0.900 501 N CB 0.590 39.063 38.487 -0.022 0.000 1.089 501 N HN 0.591 nan 8.380 nan 0.000 0.449 502 G N 2.111 110.906 108.800 -0.008 0.000 2.213 502 G HA2 -0.153 3.810 3.960 0.005 0.000 0.236 502 G HA3 -0.153 3.810 3.960 0.005 0.000 0.236 502 G C 0.460 175.351 174.900 -0.016 0.000 0.991 502 G CA 0.431 45.525 45.100 -0.009 0.000 0.629 502 G HN 1.654 nan 8.290 nan 0.000 0.517 503 A N -0.693 122.115 122.820 -0.019 0.000 2.704 503 A HA -0.271 4.052 4.320 0.005 0.000 0.299 503 A C 1.535 179.092 177.584 -0.045 0.000 1.507 503 A CA 2.283 54.304 52.037 -0.027 0.000 0.776 503 A CB -1.640 17.351 19.000 -0.016 0.000 1.027 503 A HN 1.009 nan 8.150 nan 0.000 0.475 504 R N -0.820 119.646 120.500 -0.056 0.000 2.316 504 R HA 0.108 4.451 4.340 0.005 0.000 0.202 504 R C 1.901 178.117 176.300 -0.139 0.000 1.029 504 R CA 1.072 57.120 56.100 -0.085 0.000 1.018 504 R CB -0.201 30.054 30.300 -0.075 0.000 0.888 504 R HN 0.828 nan 8.270 nan 0.000 0.471 505 I N 1.928 122.425 120.570 -0.122 0.000 2.614 505 I HA -0.251 3.922 4.170 0.005 0.000 0.258 505 I C 2.254 178.293 176.117 -0.130 0.000 1.189 505 I CA 1.149 62.361 61.300 -0.147 0.000 1.462 505 I CB 0.021 37.968 38.000 -0.088 0.000 1.092 505 I HN 0.118 nan 8.210 nan 0.000 0.442 506 R N 0.251 120.694 120.500 -0.094 0.000 2.297 506 R HA 0.136 4.479 4.340 0.005 0.000 0.197 506 R C 0.260 176.509 176.300 -0.084 0.000 0.943 506 R CA 0.085 56.141 56.100 -0.074 0.000 1.038 506 R CB -0.151 30.121 30.300 -0.047 0.000 0.957 506 R HN 0.279 nan 8.270 nan 0.000 0.484 507 L N 0.792 121.948 121.223 -0.111 0.000 2.331 507 L HA 0.579 4.923 4.340 0.005 0.000 0.268 507 L C 0.178 176.958 176.870 -0.150 0.000 1.015 507 L CA -1.461 53.317 54.840 -0.104 0.000 0.807 507 L CB 1.388 43.395 42.059 -0.087 0.000 1.293 507 L HN 0.009 nan 8.230 nan 0.000 0.451 508 A N 1.624 124.377 122.820 -0.112 0.000 2.498 508 A HA 0.311 4.634 4.320 0.005 0.000 0.239 508 A C -1.772 175.725 177.584 -0.145 0.000 1.068 508 A CA -0.726 51.238 52.037 -0.122 0.000 0.766 508 A CB -0.211 18.758 19.000 -0.052 0.000 1.003 508 A HN 0.616 nan 8.150 nan 0.000 0.497 509 P HA 0.013 nan 4.420 nan 0.000 0.257 509 P C 0.761 177.585 177.300 -0.793 0.000 1.241 509 P CA 0.412 63.353 63.100 -0.265 0.000 0.816 509 P CB 0.380 32.081 31.700 0.002 0.000 1.150 510 Q N 1.369 120.549 119.800 -1.034 0.000 2.135 510 Q HA -0.175 4.169 4.340 0.005 0.000 0.204 510 Q C 2.128 177.703 176.000 -0.707 0.000 0.981 510 Q CA 1.804 56.729 55.803 -1.464 0.000 0.856 510 Q CB -0.451 27.722 28.738 -0.941 0.000 0.902 510 Q HN 0.463 nan 8.270 nan 0.000 0.425 511 K N 0.214 120.375 120.400 -0.399 0.000 2.362 511 K HA -0.125 4.198 4.320 0.005 0.000 0.200 511 K C 0.586 177.119 176.600 -0.113 0.000 1.046 511 K CA 1.519 57.690 56.287 -0.194 0.000 0.952 511 K CB 0.222 32.643 32.500 -0.131 0.000 0.753 511 K HN 0.092 nan 8.250 nan 0.000 0.466 512 D N -0.250 120.071 120.400 -0.131 0.000 2.369 512 D HA 0.003 4.646 4.640 0.005 0.000 0.211 512 D C -0.236 176.158 176.300 0.157 0.000 1.077 512 D CA -0.024 53.981 54.000 0.008 0.000 0.842 512 D CB 0.106 40.920 40.800 0.022 0.000 0.947 512 D HN 0.168 nan 8.370 nan 0.000 0.509 513 W N 2.412 123.721 121.300 0.015 0.000 2.216 513 W HA 0.102 4.770 4.660 0.012 0.000 0.326 513 W C 1.818 178.336 176.519 -0.002 0.000 1.319 513 W CA -0.990 56.365 57.345 0.016 0.000 1.213 513 W CB 0.390 29.853 29.460 0.005 0.000 1.171 513 W HN 0.073 nan 8.180 nan 0.000 0.557 514 E N 2.533 122.871 120.200 0.230 0.000 2.085 514 E HA -0.231 4.122 4.350 0.005 0.000 0.194 514 E C 2.020 178.592 176.600 -0.047 0.000 0.994 514 E CA 2.019 58.493 56.400 0.125 0.000 0.801 514 E CB 0.084 29.902 29.700 0.196 0.000 0.743 514 E HN 0.481 nan 8.360 nan 0.000 0.453 515 A N 0.877 123.540 122.820 -0.261 0.000 2.024 515 A HA -0.172 4.151 4.320 0.005 0.000 0.220 515 A C 1.697 179.187 177.584 -0.157 0.000 1.164 515 A CA 1.524 53.191 52.037 -0.615 0.000 0.643 515 A CB -0.397 18.209 19.000 -0.658 0.000 0.806 515 A HN 0.263 nan 8.150 nan 0.000 0.451 516 N N -0.188 118.536 118.700 0.039 0.000 2.398 516 N HA 0.046 4.789 4.740 0.005 0.000 0.188 516 N C -0.488 175.055 175.510 0.056 0.000 1.122 516 N CA 0.354 53.456 53.050 0.085 0.000 0.866 516 N CB -0.106 38.459 38.487 0.130 0.000 0.970 516 N HN 0.559 nan 8.380 nan 0.000 0.462 517 Q N -0.985 118.839 119.800 0.040 0.000 2.457 517 Q HA -0.151 4.192 4.340 0.005 0.000 0.333 517 Q C -1.835 174.191 176.000 0.044 0.000 1.448 517 Q CA -0.215 55.613 55.803 0.042 0.000 0.891 517 Q CB -1.174 27.588 28.738 0.041 0.000 1.142 517 Q HN 0.260 nan 8.270 nan 0.000 0.375 518 P HA -0.270 nan 4.420 nan 0.000 0.217 518 P C 1.141 178.456 177.300 0.026 0.000 1.158 518 P CA 1.509 64.630 63.100 0.034 0.000 0.887 518 P CB 0.147 31.872 31.700 0.043 0.000 0.792 519 E N -0.443 119.775 120.200 0.031 0.000 2.047 519 E HA -0.182 4.171 4.350 0.005 0.000 0.191 519 E C 2.137 178.751 176.600 0.024 0.000 0.987 519 E CA 1.192 57.608 56.400 0.025 0.000 0.799 519 E CB -0.719 28.998 29.700 0.028 0.000 0.752 519 E HN 0.462 nan 8.360 nan 0.000 0.449 520 Q N 0.464 120.280 119.800 0.028 0.000 2.050 520 Q HA -0.130 4.213 4.340 0.005 0.000 0.202 520 Q C 2.346 178.362 176.000 0.027 0.000 0.980 520 Q CA 0.920 56.739 55.803 0.028 0.000 0.840 520 Q CB -0.246 28.512 28.738 0.034 0.000 0.898 520 Q HN 0.102 nan 8.270 nan 0.000 0.424 521 L N 0.915 122.155 121.223 0.028 0.000 2.013 521 L HA -0.239 4.104 4.340 0.005 0.000 0.212 521 L C 2.180 179.057 176.870 0.012 0.000 1.073 521 L CA 2.301 57.154 54.840 0.022 0.000 0.753 521 L CB -0.879 41.190 42.059 0.016 0.000 0.890 521 L HN 0.182 nan 8.230 nan 0.000 0.432 522 A N -0.792 122.033 122.820 0.009 0.000 1.908 522 A HA -0.122 4.201 4.320 0.005 0.000 0.218 522 A C 2.433 180.021 177.584 0.006 0.000 1.181 522 A CA 1.987 54.027 52.037 0.004 0.000 0.627 522 A CB -1.162 17.841 19.000 0.005 0.000 0.818 522 A HN 0.612 nan 8.150 nan 0.000 0.445 523 A N -0.632 122.195 122.820 0.011 0.000 1.898 523 A HA 0.049 4.372 4.320 0.005 0.000 0.216 523 A C 2.224 179.814 177.584 0.010 0.000 1.181 523 A CA 1.667 53.711 52.037 0.011 0.000 0.620 523 A CB -0.892 18.116 19.000 0.013 0.000 0.819 523 A HN 0.382 nan 8.150 nan 0.000 0.442 524 V N 0.337 120.260 119.914 0.014 0.000 2.295 524 V HA -0.263 3.860 4.120 0.005 0.000 0.246 524 V C 2.554 178.654 176.094 0.009 0.000 1.049 524 V CA 1.983 64.291 62.300 0.014 0.000 1.024 524 V CB -0.836 31.002 31.823 0.024 0.000 0.648 524 V HN 0.565 nan 8.190 nan 0.000 0.447 525 L N -0.138 121.089 121.223 0.006 0.000 2.131 525 L HA -0.194 4.149 4.340 0.005 0.000 0.210 525 L C 2.580 179.450 176.870 -0.000 0.000 1.092 525 L CA 1.906 56.746 54.840 0.000 0.000 0.759 525 L CB -0.581 41.474 42.059 -0.005 0.000 0.903 525 L HN 0.459 nan 8.230 nan 0.000 0.435 526 E N -0.024 120.177 120.200 0.002 0.000 2.077 526 E HA -0.198 4.155 4.350 0.005 0.000 0.193 526 E C 1.967 178.569 176.600 0.003 0.000 0.989 526 E CA 1.803 58.204 56.400 0.002 0.000 0.800 526 E CB 0.113 29.815 29.700 0.003 0.000 0.746 526 E HN 0.345 nan 8.360 nan 0.000 0.452 527 T N 1.296 115.852 114.554 0.003 0.000 2.737 527 T HA -0.093 4.260 4.350 0.005 0.000 0.265 527 T C 1.861 176.561 174.700 0.000 0.000 1.038 527 T CA 1.136 63.237 62.100 0.003 0.000 1.144 527 T CB -0.158 68.712 68.868 0.003 0.000 0.866 527 T HN 0.152 nan 8.240 nan 0.000 0.434 528 L N 0.668 121.890 121.223 -0.003 0.000 2.083 528 L HA -0.090 4.253 4.340 0.005 0.000 0.209 528 L C 2.677 179.544 176.870 -0.006 0.000 1.083 528 L CA 1.401 56.236 54.840 -0.009 0.000 0.752 528 L CB -0.604 41.447 42.059 -0.012 0.000 0.899 528 L HN 0.333 nan 8.230 nan 0.000 0.433 529 E N 0.267 120.466 120.200 -0.001 0.000 2.110 529 E HA -0.211 4.142 4.350 0.005 0.000 0.193 529 E C 2.304 178.910 176.600 0.010 0.000 0.988 529 E CA 1.148 57.550 56.400 0.003 0.000 0.804 529 E CB -0.162 29.539 29.700 0.001 0.000 0.745 529 E HN 0.505 nan 8.360 nan 0.000 0.458 530 A N 1.012 123.838 122.820 0.010 0.000 1.930 530 A HA -0.142 4.181 4.320 0.005 0.000 0.217 530 A C 2.153 179.751 177.584 0.024 0.000 1.175 530 A CA 0.912 52.957 52.037 0.015 0.000 0.627 530 A CB -0.464 18.542 19.000 0.011 0.000 0.815 530 A HN 0.134 nan 8.150 nan 0.000 0.443 531 I N -1.133 119.448 120.570 0.020 0.000 2.226 531 I HA -0.238 3.935 4.170 0.005 0.000 0.245 531 I C 2.755 178.908 176.117 0.060 0.000 1.100 531 I CA 1.457 62.775 61.300 0.029 0.000 1.374 531 I CB -0.290 37.709 38.000 -0.001 0.000 1.057 531 I HN 0.351 nan 8.210 nan 0.000 0.413 532 R N 0.379 120.903 120.500 0.039 0.000 2.075 532 R HA -0.150 4.193 4.340 0.005 0.000 0.232 532 R C 2.305 178.665 176.300 0.101 0.000 1.126 532 R CA 2.015 58.153 56.100 0.064 0.000 0.963 532 R CB -0.279 30.035 30.300 0.024 0.000 0.858 532 R HN 0.261 nan 8.270 nan 0.000 0.435 533 T N 0.686 115.275 114.554 0.059 0.000 2.684 533 T HA -0.146 4.207 4.350 0.005 0.000 0.267 533 T C 1.780 176.510 174.700 0.050 0.000 1.036 533 T CA 1.527 63.653 62.100 0.043 0.000 1.148 533 T CB -0.287 68.594 68.868 0.023 0.000 0.863 533 T HN 0.449 nan 8.240 nan 0.000 0.436 534 A N 0.788 123.645 122.820 0.061 0.000 1.902 534 A HA -0.016 4.307 4.320 0.005 0.000 0.217 534 A C 2.032 179.657 177.584 0.069 0.000 1.181 534 A CA 1.393 53.461 52.037 0.052 0.000 0.623 534 A CB -0.953 18.078 19.000 0.052 0.000 0.818 534 A HN 0.500 nan 8.150 nan 0.000 0.443 535 F N 1.469 121.409 119.950 -0.018 0.000 2.075 535 F HA -0.202 4.327 4.527 0.004 0.000 0.297 535 F C 2.026 177.813 175.800 -0.022 0.000 1.113 535 F CA 2.142 60.132 58.000 -0.018 0.000 1.218 535 F CB -0.258 38.731 39.000 -0.018 0.000 0.984 535 F HN 0.202 nan 8.300 nan 0.000 0.472 536 N N 0.596 119.355 118.700 0.099 0.000 2.223 536 N HA -0.117 4.626 4.740 0.005 0.000 0.185 536 N C 2.030 177.476 175.510 -0.108 0.000 1.016 536 N CA 1.343 54.382 53.050 -0.018 0.000 0.863 536 N CB -1.195 37.321 38.487 0.048 0.000 0.983 536 N HN 0.486 nan 8.380 nan 0.000 0.429 537 G N -0.103 108.653 108.800 -0.074 0.000 2.484 537 G HA2 -0.038 3.926 3.960 0.005 0.000 0.218 537 G HA3 -0.038 3.926 3.960 0.005 0.000 0.218 537 G C 1.376 176.213 174.900 -0.105 0.000 1.130 537 G CA 0.789 45.846 45.100 -0.071 0.000 0.784 537 G HN 0.427 nan 8.290 nan 0.000 0.543 538 A N -0.700 122.021 122.820 -0.166 0.000 2.218 538 A HA 0.290 4.613 4.320 0.005 0.000 0.209 538 A C 1.346 178.794 177.584 -0.227 0.000 1.168 538 A CA 0.219 52.146 52.037 -0.184 0.000 0.804 538 A CB 0.046 18.928 19.000 -0.196 0.000 0.834 538 A HN 0.295 nan 8.150 nan 0.000 0.482 539 Q N 0.600 120.237 119.800 -0.273 0.000 2.312 539 Q HA 0.404 4.747 4.340 0.005 0.000 0.236 539 Q C -0.270 175.652 176.000 -0.130 0.000 0.965 539 Q CA 0.020 55.676 55.803 -0.244 0.000 0.894 539 Q CB 0.736 29.311 28.738 -0.271 0.000 1.225 539 Q HN 0.304 nan 8.270 nan 0.000 0.478 540 R N -0.844 119.600 120.500 -0.094 0.000 2.873 540 R HA 0.538 4.881 4.340 0.005 0.000 0.264 540 R C 0.526 176.808 176.300 -0.030 0.000 1.026 540 R CA -0.261 55.807 56.100 -0.053 0.000 1.002 540 R CB 1.059 31.334 30.300 -0.042 0.000 1.174 540 R HN 0.879 nan 8.270 nan 0.000 0.488 541 G N -0.161 108.630 108.800 -0.015 0.000 2.179 541 G HA2 -0.257 3.706 3.960 0.005 0.000 0.257 541 G HA3 -0.257 3.706 3.960 0.005 0.000 0.257 541 G C 0.831 175.741 174.900 0.017 0.000 1.010 541 G CA 0.976 46.077 45.100 0.002 0.000 0.736 541 G HN 1.235 nan 8.290 nan 0.000 0.513 542 G N -0.861 107.944 108.800 0.007 0.000 2.205 542 G HA2 -0.303 3.660 3.960 0.005 0.000 0.261 542 G HA3 -0.303 3.660 3.960 0.005 0.000 0.261 542 G C 0.478 175.400 174.900 0.036 0.000 0.980 542 G CA 1.361 46.475 45.100 0.024 0.000 0.632 542 G HN 1.492 nan 8.290 nan 0.000 0.533 543 K N 1.226 121.650 120.400 0.041 0.000 2.448 543 K HA 0.373 4.696 4.320 0.005 0.000 0.278 543 K C 0.646 177.245 176.600 -0.003 0.000 1.009 543 K CA 0.789 57.124 56.287 0.081 0.000 0.995 543 K CB 0.041 32.594 32.500 0.089 0.000 0.917 543 K HN 0.711 nan 8.250 nan 0.000 0.481 544 Q N 1.024 120.794 119.800 -0.050 0.000 2.590 544 Q HA 0.480 4.823 4.340 0.005 0.000 0.295 544 Q C -1.741 174.282 176.000 0.038 0.000 0.973 544 Q CA -1.190 54.583 55.803 -0.049 0.000 0.768 544 Q CB 1.700 30.292 28.738 -0.242 0.000 1.479 544 Q HN 0.325 nan 8.270 nan 0.000 0.419 545 V N 1.372 121.358 119.914 0.120 0.000 2.513 545 V HA 0.580 4.703 4.120 0.005 0.000 0.299 545 V C -0.358 175.762 176.094 0.043 0.000 1.035 545 V CA -0.103 62.244 62.300 0.079 0.000 0.889 545 V CB 1.940 33.722 31.823 -0.068 0.000 0.988 545 V HN 0.953 nan 8.190 nan 0.000 0.440 546 S N 5.629 121.377 115.700 0.080 0.000 2.603 546 S HA 0.220 4.693 4.470 0.005 0.000 0.268 546 S C 0.809 175.429 174.600 0.033 0.000 1.317 546 S CA -0.251 57.986 58.200 0.061 0.000 1.012 546 S CB 1.293 64.547 63.200 0.090 0.000 0.926 546 S HN 0.813 nan 8.310 nan 0.000 0.539 547 L N 1.949 123.183 121.223 0.019 0.000 2.141 547 L HA 0.117 4.460 4.340 0.005 0.000 0.209 547 L C 2.568 179.445 176.870 0.013 0.000 1.094 547 L CA 2.037 56.880 54.840 0.007 0.000 0.763 547 L CB -1.460 40.599 42.059 0.000 0.000 0.908 547 L HN 0.967 nan 8.230 nan 0.000 0.437 548 A N -0.757 122.076 122.820 0.022 0.000 1.883 548 A HA -0.244 4.079 4.320 0.005 0.000 0.217 548 A C 2.047 179.666 177.584 0.057 0.000 1.186 548 A CA 2.043 54.094 52.037 0.024 0.000 0.624 548 A CB -0.792 18.219 19.000 0.018 0.000 0.822 548 A HN 0.471 nan 8.150 nan 0.000 0.444 549 D N -0.618 119.839 120.400 0.095 0.000 2.097 549 D HA -0.113 4.530 4.640 0.005 0.000 0.195 549 D C 1.867 178.232 176.300 0.110 0.000 0.989 549 D CA 1.214 55.341 54.000 0.211 0.000 0.827 549 D CB -0.435 40.529 40.800 0.272 0.000 0.966 549 D HN 0.286 nan 8.370 nan 0.000 0.456 550 L N 0.807 122.030 121.223 0.000 0.000 2.042 550 L HA -0.113 4.230 4.340 0.005 0.000 0.210 550 L C 2.173 179.007 176.870 -0.060 0.000 1.076 550 L CA 1.147 55.934 54.840 -0.089 0.000 0.749 550 L CB -0.698 41.309 42.059 -0.086 0.000 0.893 550 L HN 0.009 nan 8.230 nan 0.000 0.432 551 I N -1.506 119.059 120.570 -0.009 0.000 2.208 551 I HA -0.245 3.928 4.170 0.005 0.000 0.245 551 I C 2.158 178.300 176.117 0.043 0.000 1.097 551 I CA 1.573 62.882 61.300 0.014 0.000 1.363 551 I CB -0.242 37.767 38.000 0.016 0.000 1.051 551 I HN 0.068 nan 8.210 nan 0.000 0.413 552 V N 0.217 120.170 119.914 0.064 0.000 2.379 552 V HA -0.201 3.922 4.120 0.005 0.000 0.245 552 V C 2.372 178.523 176.094 0.094 0.000 1.044 552 V CA 1.708 64.082 62.300 0.123 0.000 1.036 552 V CB -0.658 31.284 31.823 0.198 0.000 0.664 552 V HN 0.508 nan 8.190 nan 0.000 0.453 553 L N 0.968 122.095 121.223 -0.160 0.000 2.046 553 L HA -0.055 4.288 4.340 0.005 0.000 0.208 553 L C 2.480 179.227 176.870 -0.204 0.000 1.077 553 L CA 2.330 56.866 54.840 -0.506 0.000 0.747 553 L CB -0.963 40.533 42.059 -0.937 0.000 0.896 553 L HN 0.224 nan 8.230 nan 0.000 0.432 554 A N -0.516 122.234 122.820 -0.117 0.000 1.908 554 A HA -0.135 4.188 4.320 0.005 0.000 0.218 554 A C 2.347 179.952 177.584 0.036 0.000 1.181 554 A CA 1.708 53.719 52.037 -0.044 0.000 0.627 554 A CB -1.619 17.366 19.000 -0.026 0.000 0.818 554 A HN 0.540 nan 8.150 nan 0.000 0.445 555 G N -0.906 107.977 108.800 0.138 0.000 2.418 555 G HA2 -0.267 3.696 3.960 0.005 0.000 0.217 555 G HA3 -0.267 3.696 3.960 0.005 0.000 0.217 555 G C 1.589 176.630 174.900 0.235 0.000 1.158 555 G CA 1.304 46.583 45.100 0.299 0.000 0.771 555 G HN 0.537 nan 8.290 nan 0.000 0.545 556 C N 1.015 120.475 119.300 0.267 0.000 2.413 556 C HA 0.102 4.565 4.460 0.005 0.000 0.276 556 C C 3.549 178.545 174.990 0.011 0.000 1.236 556 C CA 0.872 59.993 59.018 0.172 0.000 1.735 556 C CB -1.065 26.780 27.740 0.176 0.000 2.031 556 C HN 0.576 nan 8.230 nan 0.000 0.474 557 A N 0.897 123.705 122.820 -0.021 0.000 1.908 557 A HA 0.015 4.338 4.320 0.005 0.000 0.218 557 A C 2.412 179.964 177.584 -0.054 0.000 1.181 557 A CA 2.204 54.215 52.037 -0.045 0.000 0.627 557 A CB -1.284 17.681 19.000 -0.057 0.000 0.818 557 A HN 0.570 nan 8.150 nan 0.000 0.445 558 G N -0.597 108.169 108.800 -0.055 0.000 2.440 558 G HA2 -0.133 3.830 3.960 0.005 0.000 0.218 558 G HA3 -0.133 3.830 3.960 0.005 0.000 0.218 558 G C 1.516 176.325 174.900 -0.152 0.000 1.154 558 G CA 1.296 46.344 45.100 -0.086 0.000 0.767 558 G HN 0.336 nan 8.290 nan 0.000 0.552 559 V N 0.764 120.539 119.914 -0.230 0.000 2.295 559 V HA -0.177 3.946 4.120 0.005 0.000 0.246 559 V C 2.676 178.676 176.094 -0.157 0.000 1.049 559 V CA 2.218 64.343 62.300 -0.292 0.000 1.024 559 V CB -0.581 30.950 31.823 -0.486 0.000 0.648 559 V HN 0.474 nan 8.190 nan 0.000 0.447 560 E N -0.196 119.945 120.200 -0.098 0.000 2.070 560 E HA -0.343 4.010 4.350 0.005 0.000 0.197 560 E C 2.270 178.844 176.600 -0.042 0.000 1.004 560 E CA 1.725 58.096 56.400 -0.049 0.000 0.805 560 E CB -0.184 29.500 29.700 -0.027 0.000 0.744 560 E HN 0.521 nan 8.360 nan 0.000 0.451 561 Q N 0.751 120.520 119.800 -0.052 0.000 2.084 561 Q HA -0.115 4.228 4.340 0.005 0.000 0.202 561 Q C 1.929 177.902 176.000 -0.045 0.000 0.978 561 Q CA 1.819 57.598 55.803 -0.040 0.000 0.844 561 Q CB -0.338 28.375 28.738 -0.041 0.000 0.898 561 Q HN 0.253 nan 8.270 nan 0.000 0.426 562 A N 0.184 122.957 122.820 -0.078 0.000 1.933 562 A HA -0.044 4.279 4.320 0.005 0.000 0.218 562 A C 2.271 179.823 177.584 -0.054 0.000 1.175 562 A CA 1.832 53.816 52.037 -0.087 0.000 0.628 562 A CB -1.103 17.803 19.000 -0.158 0.000 0.814 562 A HN 0.514 nan 8.150 nan 0.000 0.444 563 A N -0.302 122.488 122.820 -0.049 0.000 1.898 563 A HA -0.143 4.180 4.320 0.005 0.000 0.216 563 A C 2.134 179.766 177.584 0.081 0.000 1.181 563 A CA 1.886 53.930 52.037 0.013 0.000 0.620 563 A CB -0.433 18.565 19.000 -0.003 0.000 0.819 563 A HN 0.539 nan 8.150 nan 0.000 0.442 564 K N -0.256 120.167 120.400 0.038 0.000 2.057 564 K HA -0.199 4.124 4.320 0.005 0.000 0.207 564 K C 1.558 178.176 176.600 0.030 0.000 1.049 564 K CA 1.578 57.886 56.287 0.035 0.000 0.931 564 K CB -0.236 32.272 32.500 0.012 0.000 0.714 564 K HN 0.404 nan 8.250 nan 0.000 0.440 565 N N 0.627 119.337 118.700 0.018 0.000 2.272 565 N HA -0.161 4.582 4.740 0.005 0.000 0.185 565 N C 1.252 176.781 175.510 0.033 0.000 1.014 565 N CA 1.363 54.421 53.050 0.014 0.000 0.870 565 N CB -0.207 38.279 38.487 -0.002 0.000 0.975 565 N HN 0.289 nan 8.380 nan 0.000 0.433 566 A N -0.588 122.275 122.820 0.071 0.000 2.275 566 A HA 0.467 4.790 4.320 0.005 0.000 0.212 566 A C 1.386 179.032 177.584 0.103 0.000 1.201 566 A CA 0.602 52.714 52.037 0.125 0.000 0.843 566 A CB -0.209 18.916 19.000 0.209 0.000 0.873 566 A HN 0.284 nan 8.150 nan 0.000 0.492 567 G N -0.729 108.093 108.800 0.037 0.000 2.136 567 G HA2 -0.199 3.764 3.960 0.005 0.000 0.242 567 G HA3 -0.199 3.764 3.960 0.005 0.000 0.242 567 G C -0.073 174.722 174.900 -0.175 0.000 0.989 567 G CA 0.251 45.309 45.100 -0.070 0.000 0.682 567 G HN 0.703 nan 8.290 nan 0.000 0.522 568 H N -0.236 118.843 119.070 0.014 0.000 2.472 568 H HA 0.630 5.189 4.556 0.005 0.000 0.338 568 H C 0.265 175.599 175.328 0.010 0.000 1.133 568 H CA 0.074 56.133 56.048 0.018 0.000 1.216 568 H CB 1.976 31.754 29.762 0.026 0.000 1.497 568 H HN 0.465 nan 8.280 nan 0.000 0.500 569 A N 3.551 126.445 122.820 0.124 0.000 2.341 569 A HA 0.469 4.792 4.320 0.005 0.000 0.326 569 A C -0.435 177.195 177.584 0.076 0.000 1.402 569 A CA -0.468 51.614 52.037 0.074 0.000 0.957 569 A CB -0.150 18.877 19.000 0.044 0.000 1.151 569 A HN 0.363 nan 8.150 nan 0.000 0.533 570 V N 2.014 121.963 119.914 0.060 0.000 2.638 570 V HA 0.552 4.675 4.120 0.005 0.000 0.306 570 V C 0.135 176.248 176.094 0.031 0.000 1.052 570 V CA -0.395 61.932 62.300 0.044 0.000 0.885 570 V CB 2.159 34.000 31.823 0.030 0.000 0.999 570 V HN 0.829 nan 8.190 nan 0.000 0.424 571 T N 4.444 119.019 114.554 0.034 0.000 2.797 571 T HA 0.628 4.981 4.350 0.005 0.000 0.279 571 T C -0.779 173.949 174.700 0.048 0.000 0.991 571 T CA -0.304 61.817 62.100 0.036 0.000 0.979 571 T CB 1.172 70.062 68.868 0.037 0.000 0.943 571 T HN 0.375 nan 8.240 nan 0.000 0.444 572 V N 8.818 128.768 119.914 0.060 0.000 2.407 572 V HA 0.404 4.527 4.120 0.005 0.000 0.278 572 V C -1.854 174.317 176.094 0.129 0.000 1.037 572 V CA -1.759 60.599 62.300 0.098 0.000 0.900 572 V CB 1.122 33.015 31.823 0.117 0.000 0.983 572 V HN 0.810 nan 8.190 nan 0.000 0.459 573 P HA 0.215 nan 4.420 nan 0.000 0.269 573 P C -1.019 176.403 177.300 0.202 0.000 1.209 573 P CA 0.052 63.222 63.100 0.117 0.000 0.776 573 P CB 0.332 32.065 31.700 0.056 0.000 0.876 574 F N 1.273 121.227 119.950 0.006 0.000 2.574 574 F HA 0.617 5.146 4.527 0.004 0.000 0.313 574 F C -1.508 174.277 175.800 -0.024 0.000 1.130 574 F CA -0.921 57.075 58.000 -0.006 0.000 0.936 574 F CB 1.595 40.597 39.000 0.004 0.000 1.219 574 F HN 0.399 nan 8.300 nan 0.000 0.445 575 A N 7.923 130.162 122.820 -0.968 0.000 2.285 575 A HA 0.752 5.075 4.320 0.005 0.000 0.310 575 A C -2.824 174.083 177.584 -1.128 0.000 1.266 575 A CA -1.643 49.924 52.037 -0.784 0.000 0.832 575 A CB 0.385 19.125 19.000 -0.433 0.000 1.163 575 A HN 0.487 nan 8.150 nan 0.000 0.499 576 P HA 0.497 nan 4.420 nan 0.000 0.277 576 P C 0.747 177.918 177.300 -0.214 0.000 1.271 576 P CA 0.889 63.761 63.100 -0.380 0.000 0.795 576 P CB 1.026 32.725 31.700 -0.001 0.000 1.101 577 G N -1.063 107.685 108.800 -0.087 0.000 2.227 577 G HA2 -0.139 3.825 3.960 0.005 0.000 0.168 577 G HA3 -0.139 3.825 3.960 0.005 0.000 0.168 577 G C 0.169 175.033 174.900 -0.059 0.000 1.006 577 G CA -0.541 44.511 45.100 -0.079 0.000 0.684 577 G HN 0.520 nan 8.290 nan 0.000 0.489 578 R N 0.682 121.158 120.500 -0.040 0.000 2.594 578 R HA 0.621 4.964 4.340 0.005 0.000 0.272 578 R C 0.496 176.808 176.300 0.020 0.000 1.074 578 R CA 0.711 56.800 56.100 -0.019 0.000 1.105 578 R CB 0.894 31.187 30.300 -0.011 0.000 1.008 578 R HN 0.515 nan 8.270 nan 0.000 0.472 579 A N 1.629 124.458 122.820 0.014 0.000 2.386 579 A HA 0.390 4.713 4.320 0.005 0.000 0.308 579 A C -1.207 176.391 177.584 0.023 0.000 1.128 579 A CA -0.928 51.131 52.037 0.035 0.000 0.789 579 A CB 1.231 20.244 19.000 0.022 0.000 1.325 579 A HN 0.600 nan 8.150 nan 0.000 0.437 580 D N 1.379 121.796 120.400 0.028 0.000 2.274 580 D HA 0.514 5.157 4.640 0.005 0.000 0.239 580 D C 0.208 176.510 176.300 0.004 0.000 1.104 580 D CA 0.380 54.387 54.000 0.012 0.000 0.840 580 D CB 1.607 42.415 40.800 0.014 0.000 1.100 580 D HN 0.699 nan 8.370 nan 0.000 0.477 581 A N 2.081 124.898 122.820 -0.006 0.000 2.322 581 A HA 0.524 4.847 4.320 0.005 0.000 0.269 581 A C 0.665 178.242 177.584 -0.012 0.000 1.094 581 A CA -0.523 51.508 52.037 -0.011 0.000 0.807 581 A CB 0.464 19.455 19.000 -0.015 0.000 1.047 581 A HN 0.522 nan 8.150 nan 0.000 0.487 582 S N 0.414 116.107 115.700 -0.011 0.000 2.693 582 S HA 0.295 4.768 4.470 0.005 0.000 0.276 582 S C 0.845 175.437 174.600 -0.012 0.000 1.192 582 S CA -0.054 58.140 58.200 -0.010 0.000 0.994 582 S CB 1.130 64.326 63.200 -0.006 0.000 1.012 582 S HN 0.722 nan 8.310 nan 0.000 0.550 583 Q N 0.634 120.427 119.800 -0.012 0.000 2.135 583 Q HA -0.151 4.192 4.340 0.005 0.000 0.204 583 Q C 1.537 177.536 176.000 -0.002 0.000 0.981 583 Q CA 2.166 57.962 55.803 -0.011 0.000 0.856 583 Q CB -0.555 28.177 28.738 -0.011 0.000 0.902 583 Q HN 0.869 nan 8.270 nan 0.000 0.425 584 E N -0.214 119.987 120.200 0.001 0.000 2.268 584 E HA -0.123 4.230 4.350 0.005 0.000 0.195 584 E C 1.236 177.841 176.600 0.007 0.000 0.995 584 E CA 0.858 57.262 56.400 0.008 0.000 0.836 584 E CB 0.037 29.741 29.700 0.007 0.000 0.763 584 E HN 0.492 nan 8.360 nan 0.000 0.491 585 Q N -0.215 119.585 119.800 -0.001 0.000 2.322 585 Q HA 0.110 4.453 4.340 0.005 0.000 0.203 585 Q C -0.409 175.591 176.000 0.001 0.000 0.923 585 Q CA 0.416 56.216 55.803 -0.006 0.000 0.949 585 Q CB 0.639 29.368 28.738 -0.016 0.000 1.039 585 Q HN -0.015 nan 8.270 nan 0.000 0.496 586 T N 0.843 115.402 114.554 0.009 0.000 3.009 586 T HA 0.054 4.407 4.350 0.005 0.000 0.346 586 T C -1.047 173.672 174.700 0.032 0.000 1.092 586 T CA -0.757 61.352 62.100 0.015 0.000 1.080 586 T CB 0.969 69.833 68.868 -0.007 0.000 1.037 586 T HN 0.008 nan 8.240 nan 0.000 0.487 587 D N 3.116 123.551 120.400 0.057 0.000 2.349 587 D HA 0.044 4.687 4.640 0.005 0.000 0.266 587 D C 1.233 177.581 176.300 0.080 0.000 1.293 587 D CA -0.084 53.962 54.000 0.078 0.000 0.926 587 D CB 1.015 41.881 40.800 0.111 0.000 1.090 587 D HN 0.187 nan 8.370 nan 0.000 0.502 588 V N 4.383 124.338 119.914 0.068 0.000 2.515 588 V HA -0.223 3.900 4.120 0.005 0.000 0.250 588 V C 2.003 178.161 176.094 0.107 0.000 1.058 588 V CA 1.581 63.925 62.300 0.072 0.000 1.064 588 V CB -0.319 31.537 31.823 0.055 0.000 0.675 588 V HN 0.485 nan 8.190 nan 0.000 0.461 589 E N -0.082 120.180 120.200 0.104 0.000 2.072 589 E HA -0.158 4.195 4.350 0.005 0.000 0.191 589 E C 2.440 179.115 176.600 0.125 0.000 0.985 589 E CA 1.455 57.922 56.400 0.111 0.000 0.801 589 E CB -0.512 29.247 29.700 0.098 0.000 0.750 589 E HN 0.483 nan 8.360 nan 0.000 0.452 590 S N -0.318 115.460 115.700 0.130 0.000 2.402 590 S HA -0.135 4.338 4.470 0.005 0.000 0.229 590 S C 1.837 176.529 174.600 0.153 0.000 1.021 590 S CA 1.055 59.340 58.200 0.142 0.000 0.974 590 S CB -0.115 63.180 63.200 0.158 0.000 0.800 590 S HN 0.153 nan 8.310 nan 0.000 0.484 591 M N 1.700 121.398 119.600 0.164 0.000 2.394 591 M HA 0.288 4.771 4.480 0.005 0.000 0.264 591 M C 1.870 178.371 176.300 0.335 0.000 1.073 591 M CA 1.070 56.502 55.300 0.219 0.000 1.111 591 M CB -0.868 31.830 32.600 0.165 0.000 1.401 591 M HN 0.344 nan 8.290 nan 0.000 0.448 592 A N -0.379 122.603 122.820 0.269 0.000 1.948 592 A HA -0.164 4.159 4.320 0.005 0.000 0.220 592 A C 2.072 179.714 177.584 0.098 0.000 1.177 592 A CA 2.220 54.401 52.037 0.241 0.000 0.636 592 A CB -1.635 17.462 19.000 0.161 0.000 0.815 592 A HN 0.628 nan 8.150 nan 0.000 0.449 593 V N -2.485 117.477 119.914 0.081 0.000 2.970 593 V HA -0.030 4.093 4.120 0.005 0.000 0.260 593 V C 1.858 177.932 176.094 -0.034 0.000 1.100 593 V CA 1.598 63.901 62.300 0.004 0.000 1.122 593 V CB -0.823 31.007 31.823 0.010 0.000 0.721 593 V HN 0.461 nan 8.190 nan 0.000 0.483 594 L N 0.355 121.596 121.223 0.030 0.000 2.554 594 L HA 0.228 4.571 4.340 0.005 0.000 0.226 594 L C 1.361 178.052 176.870 -0.297 0.000 1.137 594 L CA 0.302 55.144 54.840 0.002 0.000 0.863 594 L CB -0.300 41.879 42.059 0.200 0.000 0.985 594 L HN 0.454 nan 8.230 nan 0.000 0.451 595 E N 3.601 123.402 120.200 -0.666 0.000 2.415 595 E HA 0.027 4.380 4.350 0.005 0.000 0.260 595 E C -2.063 174.144 176.600 -0.655 0.000 1.016 595 E CA -1.620 53.907 56.400 -1.456 0.000 0.924 595 E CB 0.698 29.573 29.700 -1.375 0.000 0.961 595 E HN -0.021 nan 8.360 nan 0.000 0.459 596 P HA -0.005 nan 4.420 nan 0.000 0.284 596 P C 0.588 177.904 177.300 0.026 0.000 1.343 596 P CA -0.123 62.900 63.100 -0.128 0.000 0.826 596 P CB 1.095 32.797 31.700 0.003 0.000 0.956 597 V N 1.234 121.156 119.914 0.014 0.000 3.052 597 V HA 0.373 4.496 4.120 0.005 0.000 0.254 597 V C 0.784 176.978 176.094 0.167 0.000 1.100 597 V CA 0.772 63.152 62.300 0.133 0.000 1.112 597 V CB -0.738 31.104 31.823 0.032 0.000 0.738 597 V HN 0.479 nan 8.190 nan 0.000 0.469 598 A N 0.590 123.474 122.820 0.106 0.000 2.343 598 A HA 0.726 5.049 4.320 0.005 0.000 0.308 598 A C -1.337 176.375 177.584 0.213 0.000 1.092 598 A CA -0.215 51.902 52.037 0.134 0.000 0.751 598 A CB 1.450 20.467 19.000 0.029 0.000 1.203 598 A HN 0.303 nan 8.150 nan 0.000 0.452 599 D N 2.243 122.832 120.400 0.316 0.000 2.336 599 D HA 0.382 5.025 4.640 0.005 0.000 0.248 599 D C 1.174 177.627 176.300 0.255 0.000 1.326 599 D CA 0.352 54.555 54.000 0.339 0.000 0.973 599 D CB 1.003 42.063 40.800 0.433 0.000 1.255 599 D HN 0.500 nan 8.370 nan 0.000 0.558 600 G N 1.492 110.340 108.800 0.079 0.000 2.470 600 G HA2 -0.237 3.726 3.960 0.005 0.000 0.220 600 G HA3 -0.237 3.726 3.960 0.005 0.000 0.220 600 G C 1.172 175.980 174.900 -0.153 0.000 1.121 600 G CA 0.395 45.443 45.100 -0.086 0.000 0.766 600 G HN 0.498 nan 8.290 nan 0.000 0.553 601 F N 0.100 120.093 119.950 0.071 0.000 2.502 601 F HA 0.166 4.695 4.527 0.004 0.000 0.298 601 F C 2.523 178.203 175.800 -0.199 0.000 1.111 601 F CA 0.667 58.590 58.000 -0.129 0.000 1.445 601 F CB 0.257 39.130 39.000 -0.212 0.000 1.081 601 F HN 0.004 nan 8.300 nan 0.000 0.558 602 R N -0.308 120.276 120.500 0.140 0.000 2.577 602 R HA 0.105 4.448 4.340 0.005 0.000 0.344 602 R C -0.003 176.380 176.300 0.139 0.000 1.037 602 R CA -0.222 55.941 56.100 0.106 0.000 1.102 602 R CB -0.079 30.337 30.300 0.193 0.000 1.313 602 R HN -0.060 nan 8.270 nan 0.000 0.561 603 N N 1.233 119.996 118.700 0.104 0.000 2.714 603 N HA -0.279 4.464 4.740 0.005 0.000 0.252 603 N C -1.583 174.051 175.510 0.207 0.000 1.014 603 N CA 0.954 54.074 53.050 0.116 0.000 0.735 603 N CB -0.927 37.616 38.487 0.093 0.000 0.924 603 N HN 0.375 nan 8.380 nan 0.000 0.540 604 Y N 0.067 120.421 120.300 0.089 0.000 2.341 604 Y HA 0.651 5.204 4.550 0.006 0.000 0.338 604 Y C -0.690 175.274 175.900 0.107 0.000 0.965 604 Y CA -0.850 57.312 58.100 0.103 0.000 1.108 604 Y CB 0.987 39.521 38.460 0.122 0.000 1.180 604 Y HN 0.116 nan 8.280 nan 0.000 0.458 605 L N 7.366 128.267 121.223 -0.537 0.000 2.409 605 L HA 0.423 4.766 4.340 0.005 0.000 0.272 605 L C 0.746 177.169 176.870 -0.744 0.000 0.980 605 L CA -0.653 53.905 54.840 -0.470 0.000 0.826 605 L CB 2.191 44.147 42.059 -0.173 0.000 1.268 605 L HN 0.690 nan 8.230 nan 0.000 0.407 606 K N 1.660 121.725 120.400 -0.557 0.000 2.155 606 K HA 0.117 4.440 4.320 0.005 0.000 0.203 606 K C 0.654 177.114 176.600 -0.233 0.000 1.052 606 K CA 1.045 57.140 56.287 -0.320 0.000 0.948 606 K CB 0.376 32.903 32.500 0.044 0.000 0.728 606 K HN 0.841 nan 8.250 nan 0.000 0.448 607 G N -0.230 108.316 108.800 -0.423 0.000 2.870 607 G HA2 0.372 4.335 3.960 0.005 0.000 0.299 607 G HA3 0.372 4.335 3.960 0.005 0.000 0.299 607 G C -1.652 172.720 174.900 -0.879 0.000 1.324 607 G CA -0.754 44.010 45.100 -0.559 0.000 0.808 607 G HN -0.080 nan 8.290 nan 0.000 0.535 608 K N 0.387 120.391 120.400 -0.660 0.000 2.253 608 K HA 0.575 4.898 4.320 0.005 0.000 0.277 608 K C -1.346 174.941 176.600 -0.522 0.000 1.053 608 K CA -0.112 55.879 56.287 -0.493 0.000 0.892 608 K CB 0.804 33.163 32.500 -0.236 0.000 1.102 608 K HN 0.453 nan 8.250 nan 0.000 0.469 609 Y N 0.475 120.743 120.300 -0.054 0.000 2.567 609 Y HA 0.368 4.921 4.550 0.004 0.000 0.333 609 Y C 1.437 177.307 175.900 -0.050 0.000 1.106 609 Y CA -1.061 57.006 58.100 -0.055 0.000 1.157 609 Y CB 1.677 40.097 38.460 -0.067 0.000 1.277 609 Y HN 0.386 nan 8.280 nan 0.000 0.490 610 R N 0.087 120.666 120.500 0.131 0.000 2.240 610 R HA 0.105 4.448 4.340 0.005 0.000 0.203 610 R C -0.499 175.811 176.300 0.017 0.000 1.011 610 R CA 0.248 56.375 56.100 0.045 0.000 1.007 610 R CB 0.126 30.439 30.300 0.021 0.000 0.911 610 R HN 0.265 nan 8.270 nan 0.000 0.468 611 V N 3.605 123.529 119.914 0.016 0.000 2.465 611 V HA 0.178 4.301 4.120 0.005 0.000 0.279 611 V C -2.066 174.032 176.094 0.007 0.000 1.045 611 V CA -2.067 60.213 62.300 -0.034 0.000 0.938 611 V CB 1.293 33.051 31.823 -0.108 0.000 0.986 611 V HN 0.025 nan 8.190 nan 0.000 0.467 612 P HA 0.125 nan 4.420 nan 0.000 0.269 612 P C 0.617 177.917 177.300 -0.001 0.000 1.209 612 P CA -0.052 63.052 63.100 0.007 0.000 0.776 612 P CB 0.752 32.452 31.700 -0.000 0.000 0.876 613 A N 3.457 126.285 122.820 0.015 0.000 1.978 613 A HA -0.212 4.111 4.320 0.005 0.000 0.220 613 A C 1.861 179.426 177.584 -0.032 0.000 1.170 613 A CA 1.613 53.656 52.037 0.010 0.000 0.636 613 A CB -0.910 18.104 19.000 0.023 0.000 0.810 613 A HN 0.693 nan 8.150 nan 0.000 0.448 614 E N 0.289 120.458 120.200 -0.052 0.000 2.152 614 E HA -0.095 4.258 4.350 0.005 0.000 0.192 614 E C 1.811 178.344 176.600 -0.112 0.000 0.983 614 E CA 1.491 57.828 56.400 -0.104 0.000 0.818 614 E CB -0.875 28.744 29.700 -0.135 0.000 0.758 614 E HN 0.344 nan 8.360 nan 0.000 0.467 615 V N 1.901 121.764 119.914 -0.084 0.000 2.427 615 V HA -0.210 3.913 4.120 0.005 0.000 0.248 615 V C 2.639 178.680 176.094 -0.088 0.000 1.051 615 V CA 1.384 63.631 62.300 -0.088 0.000 1.048 615 V CB -0.546 31.228 31.823 -0.081 0.000 0.666 615 V HN 0.198 nan 8.190 nan 0.000 0.456 616 L N -0.712 120.464 121.223 -0.077 0.000 2.217 616 L HA -0.121 4.222 4.340 0.005 0.000 0.211 616 L C 2.390 179.230 176.870 -0.051 0.000 1.107 616 L CA 0.888 55.684 54.840 -0.072 0.000 0.783 616 L CB -0.528 41.492 42.059 -0.065 0.000 0.919 616 L HN 0.348 nan 8.230 nan 0.000 0.442 617 L N -0.382 120.797 121.223 -0.074 0.000 2.027 617 L HA -0.137 4.206 4.340 0.005 0.000 0.206 617 L C 2.358 179.192 176.870 -0.060 0.000 1.074 617 L CA 1.660 56.433 54.840 -0.112 0.000 0.745 617 L CB -0.344 41.604 42.059 -0.185 0.000 0.898 617 L HN -0.105 nan 8.230 nan 0.000 0.433 618 V N 0.108 119.977 119.914 -0.075 0.000 2.407 618 V HA -0.287 3.836 4.120 0.005 0.000 0.248 618 V C 2.308 178.395 176.094 -0.011 0.000 1.055 618 V CA 1.850 64.121 62.300 -0.048 0.000 1.049 618 V CB -0.815 30.947 31.823 -0.102 0.000 0.662 618 V HN 0.618 nan 8.190 nan 0.000 0.455 619 D N 0.357 120.740 120.400 -0.029 0.000 2.104 619 D HA -0.256 4.387 4.640 0.005 0.000 0.194 619 D C 2.120 178.437 176.300 0.028 0.000 0.994 619 D CA 1.665 55.650 54.000 -0.024 0.000 0.830 619 D CB -0.105 40.658 40.800 -0.062 0.000 0.959 619 D HN 0.259 nan 8.370 nan 0.000 0.452 620 K N 0.328 120.774 120.400 0.077 0.000 2.057 620 K HA 0.016 4.339 4.320 0.005 0.000 0.207 620 K C 1.883 178.638 176.600 0.258 0.000 1.049 620 K CA 1.539 57.930 56.287 0.174 0.000 0.931 620 K CB -0.804 31.855 32.500 0.265 0.000 0.714 620 K HN 0.154 nan 8.250 nan 0.000 0.440 621 A N 0.815 123.820 122.820 0.308 0.000 1.908 621 A HA -0.233 4.090 4.320 0.005 0.000 0.218 621 A C 2.241 179.923 177.584 0.164 0.000 1.181 621 A CA 1.808 54.036 52.037 0.318 0.000 0.627 621 A CB -0.734 18.441 19.000 0.292 0.000 0.818 621 A HN 0.488 nan 8.150 nan 0.000 0.445 622 Q N -0.114 119.745 119.800 0.097 0.000 2.061 622 Q HA -0.145 4.198 4.340 0.005 0.000 0.204 622 Q C 2.105 178.146 176.000 0.068 0.000 0.984 622 Q CA 1.735 57.574 55.803 0.059 0.000 0.846 622 Q CB -0.340 28.409 28.738 0.018 0.000 0.902 622 Q HN 0.723 nan 8.270 nan 0.000 0.421 623 L N 0.307 121.565 121.223 0.058 0.000 2.131 623 L HA -0.170 4.173 4.340 0.005 0.000 0.210 623 L C 2.320 179.248 176.870 0.097 0.000 1.092 623 L CA 0.680 55.543 54.840 0.039 0.000 0.759 623 L CB -0.321 41.740 42.059 0.004 0.000 0.903 623 L HN 0.191 nan 8.230 nan 0.000 0.435 624 L N -0.218 121.079 121.223 0.123 0.000 2.610 624 L HA -0.032 4.311 4.340 0.005 0.000 0.232 624 L C 1.254 178.196 176.870 0.121 0.000 1.149 624 L CA 0.747 55.667 54.840 0.133 0.000 0.872 624 L CB -0.696 41.392 42.059 0.049 0.000 0.992 624 L HN 0.569 nan 8.230 nan 0.000 0.447 625 T N -3.204 111.426 114.554 0.126 0.000 4.458 625 T HA -0.235 4.118 4.350 0.005 0.000 0.317 625 T C 0.008 174.759 174.700 0.084 0.000 0.916 625 T CA 0.488 62.652 62.100 0.108 0.000 2.068 625 T CB -2.644 66.295 68.868 0.119 0.000 1.908 625 T HN 0.196 nan 8.240 nan 0.000 0.934 626 L N 2.006 123.285 121.223 0.093 0.000 2.350 626 L HA 0.631 4.974 4.340 0.005 0.000 0.275 626 L C 1.368 178.311 176.870 0.121 0.000 1.099 626 L CA -0.462 54.440 54.840 0.103 0.000 0.808 626 L CB 1.373 43.512 42.059 0.133 0.000 1.149 626 L HN 0.569 nan 8.230 nan 0.000 0.442 627 S N 1.503 117.296 115.700 0.155 0.000 2.655 627 S HA 0.378 4.851 4.470 0.005 0.000 0.265 627 S C 1.067 175.819 174.600 0.254 0.000 1.240 627 S CA -0.158 58.185 58.200 0.238 0.000 0.986 627 S CB 1.484 64.859 63.200 0.293 0.000 0.985 627 S HN 0.686 nan 8.310 nan 0.000 0.562 628 A N 0.911 123.974 122.820 0.405 0.000 1.902 628 A HA 0.103 4.426 4.320 0.005 0.000 0.217 628 A C -0.400 177.370 177.584 0.311 0.000 1.181 628 A CA 1.375 53.600 52.037 0.314 0.000 0.623 628 A CB -2.156 17.052 19.000 0.347 0.000 0.818 628 A HN 0.721 nan 8.150 nan 0.000 0.443 629 P HA -0.146 nan 4.420 nan 0.000 0.215 629 P C 1.151 178.592 177.300 0.236 0.000 1.153 629 P CA 1.469 64.737 63.100 0.280 0.000 0.853 629 P CB -0.066 31.768 31.700 0.224 0.000 0.788 630 E N -0.888 119.425 120.200 0.189 0.000 2.051 630 E HA -0.192 4.161 4.350 0.005 0.000 0.192 630 E C 2.015 178.708 176.600 0.154 0.000 0.991 630 E CA 1.075 57.548 56.400 0.122 0.000 0.799 630 E CB -0.560 29.195 29.700 0.092 0.000 0.748 630 E HN 0.217 nan 8.360 nan 0.000 0.449 631 M N 0.769 120.520 119.600 0.251 0.000 2.080 631 M HA -0.192 4.291 4.480 0.005 0.000 0.260 631 M C 2.036 178.554 176.300 0.364 0.000 1.068 631 M CA 1.700 57.242 55.300 0.404 0.000 1.109 631 M CB -0.179 32.669 32.600 0.413 0.000 1.342 631 M HN 0.010 nan 8.290 nan 0.000 0.405 632 T N 0.927 115.678 114.554 0.329 0.000 2.652 632 T HA -0.144 4.209 4.350 0.005 0.000 0.267 632 T C 1.756 176.544 174.700 0.145 0.000 1.039 632 T CA 2.194 64.448 62.100 0.257 0.000 1.153 632 T CB -0.806 68.307 68.868 0.408 0.000 0.863 632 T HN 0.535 nan 8.240 nan 0.000 0.428 633 V N 0.597 120.527 119.914 0.026 0.000 2.427 633 V HA -0.038 4.085 4.120 0.005 0.000 0.248 633 V C 2.398 178.609 176.094 0.195 0.000 1.051 633 V CA 1.211 63.481 62.300 -0.050 0.000 1.048 633 V CB -1.241 30.353 31.823 -0.382 0.000 0.666 633 V HN 0.275 nan 8.190 nan 0.000 0.456 634 L N 0.095 121.391 121.223 0.122 0.000 2.017 634 L HA -0.050 4.293 4.340 0.005 0.000 0.208 634 L C 2.355 179.332 176.870 0.178 0.000 1.073 634 L CA 2.184 57.103 54.840 0.133 0.000 0.745 634 L CB -0.610 41.436 42.059 -0.022 0.000 0.894 634 L HN 0.367 nan 8.230 nan 0.000 0.432 635 L N -0.900 120.386 121.223 0.106 0.000 2.017 635 L HA -0.059 4.284 4.340 0.005 0.000 0.208 635 L C 2.332 178.874 176.870 -0.547 0.000 1.073 635 L CA 1.734 56.476 54.840 -0.163 0.000 0.745 635 L CB -0.987 40.859 42.059 -0.355 0.000 0.894 635 L HN 0.379 nan 8.230 nan 0.000 0.432 636 G N -1.026 107.401 108.800 -0.621 0.000 2.442 636 G HA2 -0.250 3.713 3.960 0.005 0.000 0.219 636 G HA3 -0.250 3.713 3.960 0.005 0.000 0.219 636 G C 1.431 176.097 174.900 -0.390 0.000 1.141 636 G CA 0.668 45.205 45.100 -0.938 0.000 0.763 636 G HN 0.572 nan 8.290 nan 0.000 0.554 637 G N 0.638 109.452 108.800 0.024 0.000 2.394 637 G HA2 -0.060 3.903 3.960 0.005 0.000 0.215 637 G HA3 -0.060 3.903 3.960 0.005 0.000 0.215 637 G C 1.804 176.524 174.900 -0.300 0.000 1.165 637 G CA 0.552 45.553 45.100 -0.164 0.000 0.784 637 G HN 0.409 nan 8.290 nan 0.000 0.535 638 L N -0.037 121.109 121.223 -0.129 0.000 2.083 638 L HA -0.047 4.296 4.340 0.005 0.000 0.209 638 L C 3.179 179.911 176.870 -0.230 0.000 1.083 638 L CA 0.641 55.382 54.840 -0.166 0.000 0.752 638 L CB -0.288 41.647 42.059 -0.206 0.000 0.899 638 L HN 0.058 nan 8.230 nan 0.000 0.433 639 R N 0.076 120.386 120.500 -0.317 0.000 2.083 639 R HA -0.149 4.194 4.340 0.005 0.000 0.237 639 R C 2.198 178.363 176.300 -0.226 0.000 1.137 639 R CA 1.880 57.793 56.100 -0.311 0.000 0.951 639 R CB -1.062 28.950 30.300 -0.480 0.000 0.851 639 R HN 0.464 nan 8.270 nan 0.000 0.434 640 V N -1.678 118.098 119.914 -0.231 0.000 3.041 640 V HA 0.022 4.145 4.120 0.005 0.000 0.260 640 V C 1.954 177.959 176.094 -0.149 0.000 1.105 640 V CA 1.103 63.303 62.300 -0.167 0.000 1.125 640 V CB -0.478 31.248 31.823 -0.162 0.000 0.730 640 V HN 0.099 nan 8.190 nan 0.000 0.479 641 L N 1.281 122.394 121.223 -0.183 0.000 2.558 641 L HA 0.473 4.816 4.340 0.005 0.000 0.225 641 L C 1.778 178.584 176.870 -0.107 0.000 1.128 641 L CA 0.782 55.522 54.840 -0.167 0.000 0.868 641 L CB -0.329 41.590 42.059 -0.234 0.000 1.006 641 L HN 0.620 nan 8.230 nan 0.000 0.454 642 G N -0.075 108.669 108.800 -0.093 0.000 2.165 642 G HA2 -0.254 3.709 3.960 0.005 0.000 0.226 642 G HA3 -0.254 3.709 3.960 0.005 0.000 0.226 642 G C 0.733 175.611 174.900 -0.036 0.000 1.035 642 G CA 0.188 45.256 45.100 -0.054 0.000 0.744 642 G HN 0.375 nan 8.290 nan 0.000 0.501 643 A N -0.570 122.216 122.820 -0.057 0.000 2.208 643 A HA 0.316 4.639 4.320 0.005 0.000 0.209 643 A C 1.189 178.768 177.584 -0.008 0.000 1.161 643 A CA 0.610 52.630 52.037 -0.029 0.000 0.782 643 A CB -0.105 18.841 19.000 -0.091 0.000 0.816 643 A HN 0.453 nan 8.150 nan 0.000 0.477 644 N N 0.356 119.046 118.700 -0.017 0.000 2.458 644 N HA 0.193 4.936 4.740 0.005 0.000 0.258 644 N C -0.122 175.421 175.510 0.055 0.000 1.219 644 N CA 0.126 53.189 53.050 0.020 0.000 0.902 644 N CB 0.721 39.214 38.487 0.009 0.000 1.076 644 N HN 0.029 nan 8.380 nan 0.000 0.455 645 V N 1.485 121.456 119.914 0.095 0.000 2.673 645 V HA 0.174 4.297 4.120 0.005 0.000 0.303 645 V C 1.538 177.687 176.094 0.092 0.000 1.046 645 V CA 0.998 63.354 62.300 0.093 0.000 1.126 645 V CB 0.400 32.292 31.823 0.115 0.000 0.934 645 V HN 0.974 nan 8.190 nan 0.000 0.487 646 G N 3.692 112.534 108.800 0.070 0.000 2.153 646 G HA2 -0.323 3.640 3.960 0.005 0.000 0.252 646 G HA3 -0.323 3.640 3.960 0.005 0.000 0.252 646 G C 0.319 175.239 174.900 0.033 0.000 0.994 646 G CA 0.434 45.569 45.100 0.058 0.000 0.698 646 G HN 1.051 nan 8.290 nan 0.000 0.521 647 Q N -1.186 118.631 119.800 0.028 0.000 2.435 647 Q HA -0.176 4.167 4.340 0.005 0.000 0.286 647 Q C 0.950 176.945 176.000 -0.009 0.000 1.229 647 Q CA 1.357 57.166 55.803 0.011 0.000 0.884 647 Q CB -1.989 26.756 28.738 0.012 0.000 1.245 647 Q HN 1.428 nan 8.270 nan 0.000 0.488 648 S N -0.503 115.187 115.700 -0.017 0.000 2.558 648 S HA 0.074 4.547 4.470 0.005 0.000 0.291 648 S C 1.024 175.575 174.600 -0.082 0.000 1.306 648 S CA -0.242 57.905 58.200 -0.087 0.000 1.056 648 S CB 0.592 63.750 63.200 -0.071 0.000 0.836 648 S HN 0.296 nan 8.310 nan 0.000 0.504 649 R N 2.188 122.610 120.500 -0.129 0.000 2.317 649 R HA 0.156 4.499 4.340 0.005 0.000 0.208 649 R C -0.011 176.335 176.300 0.077 0.000 0.914 649 R CA 0.206 56.303 56.100 -0.006 0.000 1.060 649 R CB -0.995 29.336 30.300 0.052 0.000 1.015 649 R HN 0.727 nan 8.270 nan 0.000 0.498 650 H N -0.361 118.768 119.070 0.097 0.000 3.004 650 H HA 0.180 4.739 4.556 0.005 0.000 0.316 650 H C 1.252 176.540 175.328 -0.067 0.000 1.014 650 H CA 0.516 56.625 56.048 0.102 0.000 1.454 650 H CB 0.551 30.380 29.762 0.111 0.000 1.472 650 H HN 0.365 nan 8.280 nan 0.000 0.571 651 G N 2.503 111.231 108.800 -0.120 0.000 2.189 651 G HA2 -0.321 3.642 3.960 0.005 0.000 0.267 651 G HA3 -0.321 3.642 3.960 0.005 0.000 0.267 651 G C 0.421 174.752 174.900 -0.948 0.000 0.975 651 G CA 0.361 44.928 45.100 -0.888 0.000 0.644 651 G HN 0.532 nan 8.290 nan 0.000 0.537 652 V N 1.843 121.527 119.914 -0.384 0.000 2.071 652 V HA 0.310 4.433 4.120 0.005 0.000 0.254 652 V C 0.694 176.733 176.094 -0.091 0.000 1.456 652 V CA -0.058 62.130 62.300 -0.187 0.000 1.383 652 V CB -0.843 30.965 31.823 -0.026 0.000 1.433 652 V HN 0.339 nan 8.190 nan 0.000 0.499 653 F N 2.003 121.750 119.950 -0.338 0.000 2.659 653 F HA 0.384 4.914 4.527 0.006 0.000 0.360 653 F C 0.915 176.329 175.800 -0.643 0.000 1.218 653 F CA -0.146 57.226 58.000 -1.046 0.000 1.317 653 F CB 0.299 38.585 39.000 -1.190 0.000 1.697 653 F HN 0.389 nan 8.300 nan 0.000 0.637 654 T N -0.272 114.267 114.554 -0.024 0.000 2.885 654 T HA 0.546 4.899 4.350 0.005 0.000 0.322 654 T C 0.019 174.878 174.700 0.265 0.000 1.387 654 T CA -0.203 61.969 62.100 0.119 0.000 1.041 654 T CB 1.682 70.561 68.868 0.019 0.000 1.287 654 T HN 0.231 nan 8.240 nan 0.000 0.491 655 A N 2.911 125.863 122.820 0.219 0.000 2.348 655 A HA 0.337 4.660 4.320 0.005 0.000 0.224 655 A C 0.912 178.550 177.584 0.090 0.000 1.227 655 A CA -0.184 51.949 52.037 0.159 0.000 0.885 655 A CB -0.051 19.029 19.000 0.134 0.000 0.933 655 A HN 0.673 nan 8.150 nan 0.000 0.506 656 R N 0.528 121.069 120.500 0.069 0.000 2.738 656 R HA 0.372 4.715 4.340 0.005 0.000 0.280 656 R C -0.612 175.697 176.300 0.015 0.000 1.456 656 R CA -0.410 55.712 56.100 0.036 0.000 1.612 656 R CB -0.003 30.315 30.300 0.030 0.000 1.286 656 R HN 0.352 nan 8.270 nan 0.000 0.660 657 E N 1.866 122.077 120.200 0.018 0.000 2.437 657 E HA -0.109 4.244 4.350 0.005 0.000 0.263 657 E C -0.234 176.352 176.600 -0.023 0.000 1.030 657 E CA 0.546 56.942 56.400 -0.007 0.000 0.934 657 E CB 0.473 30.176 29.700 0.005 0.000 0.943 657 E HN 0.476 nan 8.360 nan 0.000 0.444 658 Q N -1.461 118.309 119.800 -0.050 0.000 2.460 658 Q HA -0.257 4.086 4.340 0.005 0.000 0.248 658 Q C -1.088 174.876 176.000 -0.060 0.000 0.847 658 Q CA 0.602 56.368 55.803 -0.062 0.000 1.214 658 Q CB -1.741 26.972 28.738 -0.042 0.000 1.523 658 Q HN 0.466 nan 8.270 nan 0.000 0.602 659 A N 0.772 123.560 122.820 -0.053 0.000 2.318 659 A HA 0.636 4.959 4.320 0.005 0.000 0.324 659 A C -0.472 177.075 177.584 -0.061 0.000 1.170 659 A CA -0.614 51.401 52.037 -0.037 0.000 0.810 659 A CB 1.046 20.044 19.000 -0.002 0.000 1.198 659 A HN 0.185 nan 8.150 nan 0.000 0.484 660 L N 3.927 125.111 121.223 -0.066 0.000 2.385 660 L HA 0.466 4.809 4.340 0.005 0.000 0.285 660 L C 0.565 177.468 176.870 0.054 0.000 1.125 660 L CA 0.876 55.667 54.840 -0.082 0.000 0.890 660 L CB -0.398 41.553 42.059 -0.180 0.000 1.251 660 L HN 0.849 nan 8.230 nan 0.000 0.445 661 T N 0.182 114.753 114.554 0.029 0.000 2.887 661 T HA 0.397 4.750 4.350 0.005 0.000 0.292 661 T C 0.531 174.957 174.700 -0.456 0.000 1.087 661 T CA -0.535 61.541 62.100 -0.039 0.000 1.009 661 T CB 1.190 70.043 68.868 -0.025 0.000 1.203 661 T HN 0.472 nan 8.240 nan 0.000 0.518 662 N N -0.095 118.283 118.700 -0.536 0.000 2.362 662 N HA 0.047 4.791 4.740 0.005 0.000 0.211 662 N C 0.239 175.626 175.510 -0.204 0.000 1.170 662 N CA -0.112 52.545 53.050 -0.654 0.000 0.828 662 N CB -0.348 37.940 38.487 -0.332 0.000 1.034 662 N HN 0.536 nan 8.380 nan 0.000 0.475 663 D N 0.588 120.879 120.400 -0.182 0.000 2.182 663 D HA -0.171 4.472 4.640 0.005 0.000 0.201 663 D C 1.217 177.433 176.300 -0.140 0.000 0.986 663 D CA 0.690 54.630 54.000 -0.100 0.000 0.847 663 D CB -0.320 40.441 40.800 -0.065 0.000 0.942 663 D HN 0.373 nan 8.370 nan 0.000 0.467 664 F N 0.366 120.076 119.950 -0.398 0.000 2.095 664 F HA -0.229 4.301 4.527 0.005 0.000 0.298 664 F C 1.903 177.442 175.800 -0.434 0.000 1.104 664 F CA 1.464 59.166 58.000 -0.498 0.000 1.232 664 F CB -0.400 38.088 39.000 -0.853 0.000 0.987 664 F HN -0.114 nan 8.300 nan 0.000 0.475 665 F N -0.469 119.468 119.950 -0.021 0.000 2.128 665 F HA -0.128 4.403 4.527 0.005 0.000 0.295 665 F C 2.348 178.090 175.800 -0.098 0.000 1.100 665 F CA 1.231 59.204 58.000 -0.044 0.000 1.260 665 F CB -1.190 37.853 39.000 0.071 0.000 1.009 665 F HN -0.239 nan 8.300 nan 0.000 0.476 666 V N 0.520 120.484 119.914 0.084 0.000 2.287 666 V HA -0.296 3.827 4.120 0.005 0.000 0.248 666 V C 2.119 178.194 176.094 -0.031 0.000 1.053 666 V CA 2.028 64.350 62.300 0.036 0.000 1.027 666 V CB -0.610 31.234 31.823 0.036 0.000 0.646 666 V HN 0.366 nan 8.190 nan 0.000 0.447 667 N N -0.145 118.481 118.700 -0.123 0.000 2.171 667 N HA -0.085 4.658 4.740 0.005 0.000 0.184 667 N C 1.736 177.055 175.510 -0.319 0.000 1.021 667 N CA 1.153 54.087 53.050 -0.192 0.000 0.854 667 N CB -0.381 37.889 38.487 -0.362 0.000 0.994 667 N HN 0.386 nan 8.380 nan 0.000 0.426 668 L N 1.326 122.274 121.223 -0.458 0.000 2.042 668 L HA -0.062 4.281 4.340 0.005 0.000 0.210 668 L C 1.668 178.433 176.870 -0.175 0.000 1.076 668 L CA 1.518 56.083 54.840 -0.459 0.000 0.749 668 L CB -0.438 41.282 42.059 -0.565 0.000 0.893 668 L HN 0.105 nan 8.230 nan 0.000 0.432 669 L N -0.597 120.578 121.223 -0.080 0.000 2.591 669 L HA 0.086 4.429 4.340 0.005 0.000 0.228 669 L C 0.258 177.144 176.870 0.026 0.000 1.133 669 L CA -0.253 54.586 54.840 -0.001 0.000 0.880 669 L CB -0.594 41.488 42.059 0.038 0.000 1.033 669 L HN 0.185 nan 8.230 nan 0.000 0.450 670 D N 0.898 121.317 120.400 0.031 0.000 2.346 670 D HA -0.042 4.601 4.640 0.005 0.000 0.260 670 D C 0.898 177.239 176.300 0.067 0.000 1.252 670 D CA 0.038 54.068 54.000 0.050 0.000 0.895 670 D CB 1.229 42.067 40.800 0.064 0.000 1.097 670 D HN -0.074 nan 8.370 nan 0.000 0.489 671 M N 3.413 123.042 119.600 0.047 0.000 2.630 671 M HA 0.148 4.631 4.480 0.005 0.000 0.254 671 M C 1.729 178.044 176.300 0.025 0.000 1.092 671 M CA 0.690 56.017 55.300 0.045 0.000 1.087 671 M CB -0.217 32.400 32.600 0.029 0.000 1.453 671 M HN 0.416 nan 8.290 nan 0.000 0.509 672 G N -0.807 108.002 108.800 0.014 0.000 2.625 672 G HA2 -0.049 3.914 3.960 0.005 0.000 0.214 672 G HA3 -0.049 3.914 3.960 0.005 0.000 0.214 672 G C 0.338 175.209 174.900 -0.048 0.000 1.132 672 G CA 0.558 45.649 45.100 -0.014 0.000 0.782 672 G HN 0.456 nan 8.290 nan 0.000 0.538 673 T N 0.140 114.670 114.554 -0.041 0.000 2.797 673 T HA 0.465 4.818 4.350 0.005 0.000 0.279 673 T C -0.737 173.856 174.700 -0.177 0.000 0.991 673 T CA -0.472 61.530 62.100 -0.163 0.000 0.979 673 T CB 2.518 71.284 68.868 -0.169 0.000 0.943 673 T HN 0.248 nan 8.240 nan 0.000 0.444 674 E N 2.224 122.257 120.200 -0.277 0.000 2.179 674 E HA 0.395 4.748 4.350 0.005 0.000 0.275 674 E C -1.366 175.047 176.600 -0.313 0.000 0.945 674 E CA -0.839 55.467 56.400 -0.156 0.000 0.792 674 E CB 1.072 30.726 29.700 -0.077 0.000 1.125 674 E HN 0.552 nan 8.360 nan 0.000 0.397 675 W N 3.370 124.683 121.300 0.022 0.000 2.573 675 W HA 0.468 5.131 4.660 0.005 0.000 0.326 675 W C -0.305 176.283 176.519 0.115 0.000 1.049 675 W CA -0.616 56.767 57.345 0.065 0.000 1.220 675 W CB 1.533 31.000 29.460 0.013 0.000 1.373 675 W HN 0.267 nan 8.180 nan 0.000 0.507 676 K N 3.459 124.084 120.400 0.376 0.000 2.502 676 K HA 0.410 4.733 4.320 0.005 0.000 0.257 676 K C -2.663 174.136 176.600 0.332 0.000 0.938 676 K CA -1.964 54.510 56.287 0.311 0.000 0.819 676 K CB 2.591 35.178 32.500 0.144 0.000 1.333 676 K HN 0.045 nan 8.250 nan 0.000 0.434 677 P HA -0.018 nan 4.420 nan 0.000 0.275 677 P C -0.324 176.905 177.300 -0.118 0.000 1.228 677 P CA -0.212 62.760 63.100 -0.212 0.000 0.786 677 P CB 0.420 31.941 31.700 -0.298 0.000 0.927 678 T N -1.270 113.182 114.554 -0.171 0.000 2.898 678 T HA 0.331 4.684 4.350 0.005 0.000 0.301 678 T C 1.503 176.156 174.700 -0.078 0.000 1.049 678 T CA -0.046 62.005 62.100 -0.082 0.000 1.095 678 T CB 0.541 69.371 68.868 -0.064 0.000 0.976 678 T HN 0.413 nan 8.240 nan 0.000 0.539 679 A N 2.058 124.853 122.820 -0.042 0.000 1.898 679 A HA 0.240 4.563 4.320 0.005 0.000 0.216 679 A C 2.655 180.217 177.584 -0.038 0.000 1.181 679 A CA 1.505 53.522 52.037 -0.034 0.000 0.620 679 A CB -1.469 17.520 19.000 -0.019 0.000 0.819 679 A HN 1.241 nan 8.150 nan 0.000 0.442 680 A N -1.246 121.554 122.820 -0.033 0.000 1.908 680 A HA -0.026 4.297 4.320 0.005 0.000 0.218 680 A C 0.934 178.491 177.584 -0.045 0.000 1.181 680 A CA 1.792 53.811 52.037 -0.029 0.000 0.627 680 A CB -0.134 18.857 19.000 -0.014 0.000 0.818 680 A HN 0.439 nan 8.150 nan 0.000 0.445 681 D N -2.873 117.483 120.400 -0.073 0.000 2.478 681 D HA 0.528 5.171 4.640 0.005 0.000 0.240 681 D C 0.401 176.591 176.300 -0.183 0.000 1.364 681 D CA 0.247 54.186 54.000 -0.102 0.000 0.987 681 D CB 1.273 42.023 40.800 -0.083 0.000 1.328 681 D HN 0.077 nan 8.370 nan 0.000 0.584 682 A N 3.119 125.834 122.820 -0.174 0.000 2.178 682 A HA -0.103 4.220 4.320 0.005 0.000 0.218 682 A C 1.154 178.499 177.584 -0.399 0.000 1.157 682 A CA 1.067 52.958 52.037 -0.243 0.000 0.689 682 A CB 0.079 19.004 19.000 -0.124 0.000 0.787 682 A HN 0.496 nan 8.150 nan 0.000 0.465 683 D N -0.973 119.246 120.400 -0.302 0.000 2.369 683 D HA 0.211 4.854 4.640 0.005 0.000 0.211 683 D C -0.150 175.982 176.300 -0.279 0.000 1.077 683 D CA 0.286 54.149 54.000 -0.228 0.000 0.842 683 D CB 0.612 41.369 40.800 -0.071 0.000 0.947 683 D HN 0.167 nan 8.370 nan 0.000 0.509 684 V N 1.115 120.773 119.914 -0.427 0.000 2.581 684 V HA 0.422 4.545 4.120 0.005 0.000 0.303 684 V C -0.537 175.279 176.094 -0.464 0.000 1.041 684 V CA -0.676 61.432 62.300 -0.319 0.000 0.907 684 V CB 1.660 33.353 31.823 -0.216 0.000 0.994 684 V HN -0.156 nan 8.190 nan 0.000 0.442 685 F N 1.453 121.452 119.950 0.082 0.000 2.551 685 F HA 0.572 5.102 4.527 0.005 0.000 0.316 685 F C 0.288 176.288 175.800 0.333 0.000 1.089 685 F CA -0.744 57.389 58.000 0.223 0.000 0.915 685 F CB 1.842 41.016 39.000 0.289 0.000 1.186 685 F HN 0.390 nan 8.300 nan 0.000 0.456 686 E N 0.737 121.188 120.200 0.418 0.000 2.171 686 E HA 0.550 4.903 4.350 0.005 0.000 0.271 686 E C -0.372 176.203 176.600 -0.043 0.000 0.916 686 E CA -0.779 55.743 56.400 0.204 0.000 0.774 686 E CB 2.018 31.765 29.700 0.078 0.000 1.128 686 E HN 0.800 nan 8.360 nan 0.000 0.403 687 G N 3.165 111.638 108.800 -0.545 0.000 2.384 687 G HA2 0.411 4.374 3.960 0.005 0.000 0.316 687 G HA3 0.411 4.374 3.960 0.005 0.000 0.316 687 G C -0.394 174.088 174.900 -0.696 0.000 1.160 687 G CA -0.495 43.772 45.100 -1.388 0.000 0.936 687 G HN 0.329 nan 8.290 nan 0.000 0.455 688 R N 1.842 122.031 120.500 -0.519 0.000 2.664 688 R HA 0.250 4.593 4.340 0.005 0.000 0.286 688 R C -0.659 175.471 176.300 -0.284 0.000 0.967 688 R CA -0.943 54.962 56.100 -0.325 0.000 0.933 688 R CB 2.009 32.185 30.300 -0.207 0.000 1.146 688 R HN 0.547 nan 8.270 nan 0.000 0.468 689 D N 2.014 122.275 120.400 -0.232 0.000 2.520 689 D HA -0.073 4.570 4.640 0.005 0.000 0.243 689 D C 0.739 176.963 176.300 -0.127 0.000 1.160 689 D CA 0.574 54.473 54.000 -0.169 0.000 0.877 689 D CB 0.788 41.499 40.800 -0.148 0.000 1.150 689 D HN 0.428 nan 8.370 nan 0.000 0.494 690 R N 2.851 123.289 120.500 -0.103 0.000 2.105 690 R HA -0.183 4.160 4.340 0.005 0.000 0.239 690 R C 1.960 178.225 176.300 -0.059 0.000 1.135 690 R CA 1.703 57.759 56.100 -0.073 0.000 0.967 690 R CB -0.041 30.228 30.300 -0.051 0.000 0.861 690 R HN 0.530 nan 8.270 nan 0.000 0.442 691 A N -0.089 122.696 122.820 -0.058 0.000 1.874 691 A HA -0.110 4.213 4.320 0.005 0.000 0.214 691 A C 2.140 179.693 177.584 -0.051 0.000 1.189 691 A CA 1.763 53.771 52.037 -0.048 0.000 0.615 691 A CB -0.378 18.596 19.000 -0.044 0.000 0.830 691 A HN 0.472 nan 8.150 nan 0.000 0.443 692 T N -5.720 108.796 114.554 -0.064 0.000 3.015 692 T HA 0.418 4.771 4.350 0.005 0.000 0.250 692 T C 1.472 176.131 174.700 -0.068 0.000 1.057 692 T CA 1.180 63.242 62.100 -0.063 0.000 1.066 692 T CB 0.352 69.178 68.868 -0.070 0.000 0.959 692 T HN 1.714 nan 8.240 nan 0.000 0.488 693 G N 1.471 110.222 108.800 -0.082 0.000 2.176 693 G HA2 -0.267 3.696 3.960 0.005 0.000 0.253 693 G HA3 -0.267 3.696 3.960 0.005 0.000 0.253 693 G C -0.141 174.698 174.900 -0.103 0.000 0.979 693 G CA 0.262 45.310 45.100 -0.086 0.000 0.641 693 G HN 0.898 nan 8.290 nan 0.000 0.530 694 E N 0.298 120.429 120.200 -0.116 0.000 2.384 694 E HA 0.353 4.706 4.350 0.005 0.000 0.266 694 E C 0.442 176.937 176.600 -0.176 0.000 1.012 694 E CA -0.803 55.519 56.400 -0.131 0.000 0.901 694 E CB 0.323 29.942 29.700 -0.135 0.000 0.967 694 E HN 0.326 nan 8.360 nan 0.000 0.435 695 L N 5.216 126.341 121.223 -0.163 0.000 2.410 695 L HA 0.066 4.409 4.340 0.005 0.000 0.273 695 L C 0.419 177.119 176.870 -0.284 0.000 1.144 695 L CA 0.867 55.593 54.840 -0.191 0.000 0.863 695 L CB 0.600 42.589 42.059 -0.116 0.000 1.140 695 L HN 0.638 nan 8.230 nan 0.000 0.463 696 K N 3.426 123.575 120.400 -0.417 0.000 2.306 696 K HA 0.236 4.559 4.320 0.005 0.000 0.200 696 K C -0.834 175.279 176.600 -0.812 0.000 1.083 696 K CA 0.566 56.394 56.287 -0.766 0.000 0.959 696 K CB 0.361 32.272 32.500 -0.982 0.000 0.994 696 K HN 0.588 nan 8.250 nan 0.000 0.492 697 W N 0.220 121.452 121.300 -0.114 0.000 3.074 697 W HA 0.276 4.939 4.660 0.005 0.000 0.332 697 W C -0.810 175.825 176.519 0.194 0.000 1.253 697 W CA -1.078 56.322 57.345 0.091 0.000 1.180 697 W CB 1.103 30.625 29.460 0.103 0.000 1.445 697 W HN -0.224 nan 8.180 nan 0.000 0.573 698 T N -0.640 114.337 114.554 0.706 0.000 2.887 698 T HA 0.926 5.279 4.350 0.005 0.000 0.288 698 T C -0.449 174.737 174.700 0.810 0.000 1.021 698 T CA -0.654 61.852 62.100 0.678 0.000 1.000 698 T CB 1.941 71.151 68.868 0.571 0.000 1.034 698 T HN 0.911 nan 8.240 nan 0.000 0.467 699 G N 0.659 109.843 108.800 0.641 0.000 2.690 699 G HA2 0.670 4.633 3.960 0.005 0.000 0.291 699 G HA3 0.670 4.633 3.960 0.005 0.000 0.291 699 G C -0.383 174.646 174.900 0.215 0.000 1.403 699 G CA -0.406 44.946 45.100 0.421 0.000 0.864 699 G HN 1.077 nan 8.290 nan 0.000 0.480 700 T N -2.083 112.543 114.554 0.119 0.000 2.884 700 T HA 0.387 4.740 4.350 0.005 0.000 0.277 700 T C 1.384 176.190 174.700 0.177 0.000 0.976 700 T CA -0.572 61.604 62.100 0.128 0.000 0.956 700 T CB 1.705 70.602 68.868 0.047 0.000 1.113 700 T HN 0.435 nan 8.240 nan 0.000 0.554 701 R N -0.418 120.203 120.500 0.201 0.000 2.096 701 R HA -0.038 4.305 4.340 0.005 0.000 0.235 701 R C 2.310 178.604 176.300 -0.010 0.000 1.127 701 R CA 1.136 57.283 56.100 0.078 0.000 0.968 701 R CB -0.928 29.439 30.300 0.110 0.000 0.861 701 R HN 0.479 nan 8.270 nan 0.000 0.440 702 V N 1.634 121.563 119.914 0.025 0.000 2.407 702 V HA -0.232 3.891 4.120 0.005 0.000 0.248 702 V C 1.618 177.803 176.094 0.151 0.000 1.055 702 V CA 1.844 64.164 62.300 0.032 0.000 1.049 702 V CB -0.399 31.430 31.823 0.009 0.000 0.662 702 V HN 0.292 nan 8.190 nan 0.000 0.455 703 D N 0.227 120.705 120.400 0.129 0.000 2.084 703 D HA -0.108 4.535 4.640 0.005 0.000 0.194 703 D C 2.087 178.509 176.300 0.203 0.000 0.990 703 D CA 1.233 55.369 54.000 0.226 0.000 0.826 703 D CB -0.201 40.673 40.800 0.123 0.000 0.971 703 D HN 0.313 nan 8.370 nan 0.000 0.453 704 L N 0.893 122.069 121.223 -0.078 0.000 2.395 704 L HA -0.017 4.326 4.340 0.005 0.000 0.218 704 L C 2.472 179.216 176.870 -0.210 0.000 1.130 704 L CA 0.173 54.827 54.840 -0.309 0.000 0.826 704 L CB -0.187 41.481 42.059 -0.651 0.000 0.941 704 L HN -0.067 nan 8.230 nan 0.000 0.451 705 V N -0.037 119.788 119.914 -0.149 0.000 2.594 705 V HA -0.277 3.846 4.120 0.005 0.000 0.253 705 V C 2.160 178.117 176.094 -0.228 0.000 1.069 705 V CA 1.743 63.907 62.300 -0.227 0.000 1.082 705 V CB -0.377 31.254 31.823 -0.320 0.000 0.680 705 V HN 0.269 nan 8.190 nan 0.000 0.469 706 F N 0.838 120.793 119.950 0.008 0.000 2.451 706 F HA 0.116 4.646 4.527 0.005 0.000 0.299 706 F C 2.168 177.997 175.800 0.048 0.000 1.101 706 F CA 1.177 59.234 58.000 0.094 0.000 1.436 706 F CB -0.498 38.650 39.000 0.247 0.000 1.074 706 F HN 0.304 nan 8.300 nan 0.000 0.553 707 G N -2.144 106.692 108.800 0.060 0.000 3.126 707 G HA2 0.037 4.000 3.960 0.005 0.000 0.224 707 G HA3 0.037 4.000 3.960 0.005 0.000 0.224 707 G C 1.395 176.246 174.900 -0.082 0.000 1.142 707 G CA 0.740 45.816 45.100 -0.041 0.000 0.759 707 G HN 0.336 nan 8.290 nan 0.000 0.550 708 S N -0.974 114.674 115.700 -0.087 0.000 2.891 708 S HA 0.121 4.594 4.470 0.005 0.000 0.247 708 S C 0.745 175.296 174.600 -0.081 0.000 1.063 708 S CA -0.360 57.775 58.200 -0.108 0.000 0.857 708 S CB -0.298 62.812 63.200 -0.151 0.000 0.800 708 S HN 0.324 nan 8.310 nan 0.000 0.540 709 H N 2.715 121.697 119.070 -0.147 0.000 2.964 709 H HA 0.156 4.716 4.556 0.005 0.000 0.328 709 H C 1.498 176.769 175.328 -0.096 0.000 1.030 709 H CA 1.004 56.970 56.048 -0.136 0.000 1.445 709 H CB 1.302 30.967 29.762 -0.162 0.000 1.449 709 H HN 0.527 nan 8.280 nan 0.000 0.581 710 S N 2.872 118.350 115.700 -0.370 0.000 2.402 710 S HA -0.197 4.276 4.470 0.005 0.000 0.229 710 S C 1.864 176.453 174.600 -0.018 0.000 1.021 710 S CA 1.192 59.284 58.200 -0.180 0.000 0.974 710 S CB -0.053 63.004 63.200 -0.239 0.000 0.800 710 S HN 0.778 nan 8.310 nan 0.000 0.484 711 Q N 0.755 120.620 119.800 0.108 0.000 2.096 711 Q HA 0.117 4.460 4.340 0.005 0.000 0.197 711 Q C 2.203 178.344 176.000 0.234 0.000 0.964 711 Q CA 1.028 56.962 55.803 0.219 0.000 0.838 711 Q CB -0.211 28.712 28.738 0.308 0.000 0.906 711 Q HN 0.594 nan 8.270 nan 0.000 0.444 712 L N 0.137 121.537 121.223 0.295 0.000 2.083 712 L HA -0.170 4.173 4.340 0.005 0.000 0.209 712 L C 2.717 179.734 176.870 0.245 0.000 1.083 712 L CA 1.239 56.194 54.840 0.191 0.000 0.752 712 L CB -0.456 41.569 42.059 -0.056 0.000 0.899 712 L HN 0.230 nan 8.230 nan 0.000 0.433 713 R N 0.404 121.011 120.500 0.178 0.000 2.120 713 R HA -0.158 4.185 4.340 0.005 0.000 0.234 713 R C 2.334 178.710 176.300 0.125 0.000 1.123 713 R CA 1.266 57.457 56.100 0.151 0.000 0.975 713 R CB -0.170 30.172 30.300 0.070 0.000 0.866 713 R HN 0.338 nan 8.270 nan 0.000 0.446 714 A N 0.947 123.826 122.820 0.098 0.000 1.933 714 A HA -0.130 4.193 4.320 0.005 0.000 0.218 714 A C 2.118 179.739 177.584 0.061 0.000 1.175 714 A CA 1.186 53.260 52.037 0.060 0.000 0.628 714 A CB -0.429 18.598 19.000 0.044 0.000 0.814 714 A HN 0.331 nan 8.150 nan 0.000 0.444 715 L N -0.983 120.312 121.223 0.120 0.000 2.072 715 L HA -0.129 4.214 4.340 0.005 0.000 0.205 715 L C 3.090 180.038 176.870 0.131 0.000 1.079 715 L CA 0.976 55.894 54.840 0.129 0.000 0.752 715 L CB -0.669 41.536 42.059 0.244 0.000 0.906 715 L HN 0.404 nan 8.230 nan 0.000 0.436 716 A N 0.146 123.109 122.820 0.239 0.000 1.940 716 A HA -0.238 4.085 4.320 0.005 0.000 0.219 716 A C 2.160 179.811 177.584 0.111 0.000 1.176 716 A CA 1.774 53.970 52.037 0.264 0.000 0.631 716 A CB -0.470 18.826 19.000 0.494 0.000 0.814 716 A HN 0.464 nan 8.150 nan 0.000 0.446 717 E N -0.451 119.795 120.200 0.077 0.000 2.085 717 E HA -0.137 4.216 4.350 0.005 0.000 0.194 717 E C 1.978 178.546 176.600 -0.052 0.000 0.994 717 E CA 1.299 57.714 56.400 0.025 0.000 0.801 717 E CB -0.295 29.416 29.700 0.018 0.000 0.743 717 E HN 0.421 nan 8.360 nan 0.000 0.453 718 V N 0.389 120.215 119.914 -0.146 0.000 2.287 718 V HA -0.280 3.843 4.120 0.005 0.000 0.248 718 V C 1.796 177.685 176.094 -0.343 0.000 1.053 718 V CA 1.876 63.999 62.300 -0.294 0.000 1.027 718 V CB -0.593 30.945 31.823 -0.474 0.000 0.646 718 V HN 0.337 nan 8.190 nan 0.000 0.447 719 Y N 0.434 120.610 120.300 -0.206 0.000 2.516 719 Y HA 0.120 4.674 4.550 0.006 0.000 0.291 719 Y C 2.306 178.107 175.900 -0.165 0.000 1.131 719 Y CA 0.664 58.590 58.100 -0.290 0.000 1.281 719 Y CB -0.209 37.768 38.460 -0.806 0.000 1.013 719 Y HN 0.326 nan 8.280 nan 0.000 0.554 720 G N -0.958 107.874 108.800 0.053 0.000 3.189 720 G HA2 0.060 4.023 3.960 0.005 0.000 0.225 720 G HA3 0.060 4.023 3.960 0.005 0.000 0.225 720 G C 0.205 175.146 174.900 0.068 0.000 1.159 720 G CA -0.168 45.012 45.100 0.133 0.000 0.763 720 G HN 0.059 nan 8.290 nan 0.000 0.549 721 S N -0.233 115.486 115.700 0.032 0.000 2.617 721 S HA 0.473 4.947 4.470 0.005 0.000 0.269 721 S C 1.658 176.280 174.600 0.037 0.000 1.292 721 S CA 0.009 58.222 58.200 0.021 0.000 1.010 721 S CB 1.674 64.869 63.200 -0.008 0.000 0.944 721 S HN 0.324 nan 8.310 nan 0.000 0.536 722 A N 1.443 124.282 122.820 0.032 0.000 2.019 722 A HA -0.123 4.200 4.320 0.005 0.000 0.219 722 A C 1.491 179.102 177.584 0.045 0.000 1.164 722 A CA 1.629 53.689 52.037 0.038 0.000 0.644 722 A CB -0.520 18.498 19.000 0.029 0.000 0.805 722 A HN 0.853 nan 8.150 nan 0.000 0.449 723 D N -1.090 119.332 120.400 0.038 0.000 2.328 723 D HA 0.348 4.991 4.640 0.005 0.000 0.221 723 D C 0.871 177.207 176.300 0.060 0.000 1.072 723 D CA 0.732 54.758 54.000 0.042 0.000 0.850 723 D CB -0.044 40.770 40.800 0.023 0.000 0.922 723 D HN 0.280 nan 8.370 nan 0.000 0.516 724 A N -0.017 122.850 122.820 0.078 0.000 2.431 724 A HA 0.114 4.437 4.320 0.005 0.000 0.239 724 A C 1.878 179.581 177.584 0.199 0.000 1.230 724 A CA 0.092 52.197 52.037 0.114 0.000 0.928 724 A CB 0.048 19.100 19.000 0.087 0.000 1.006 724 A HN 0.135 nan 8.150 nan 0.000 0.520 725 Q N 0.729 120.639 119.800 0.183 0.000 2.079 725 Q HA -0.149 4.194 4.340 0.005 0.000 0.200 725 Q C 1.655 177.796 176.000 0.234 0.000 0.974 725 Q CA 2.099 58.041 55.803 0.232 0.000 0.840 725 Q CB -0.159 28.718 28.738 0.231 0.000 0.898 725 Q HN 0.536 nan 8.270 nan 0.000 0.430 726 E N 0.464 120.791 120.200 0.211 0.000 2.072 726 E HA -0.186 4.167 4.350 0.005 0.000 0.191 726 E C 1.812 178.481 176.600 0.115 0.000 0.985 726 E CA 1.185 57.679 56.400 0.157 0.000 0.801 726 E CB -0.163 29.638 29.700 0.168 0.000 0.750 726 E HN 0.462 nan 8.360 nan 0.000 0.452 727 K N 0.177 120.666 120.400 0.149 0.000 2.032 727 K HA -0.193 4.130 4.320 0.005 0.000 0.209 727 K C 2.181 178.912 176.600 0.218 0.000 1.048 727 K CA 1.372 57.756 56.287 0.161 0.000 0.927 727 K CB -0.361 32.229 32.500 0.151 0.000 0.712 727 K HN 0.027 nan 8.250 nan 0.000 0.441 728 F N 1.285 121.345 119.950 0.183 0.000 2.069 728 F HA -0.221 4.309 4.527 0.005 0.000 0.298 728 F C 1.805 177.634 175.800 0.048 0.000 1.113 728 F CA 1.528 59.609 58.000 0.136 0.000 1.214 728 F CB -0.559 38.512 39.000 0.119 0.000 0.978 728 F HN -0.174 nan 8.300 nan 0.000 0.474 729 V N 1.358 121.158 119.914 -0.189 0.000 2.287 729 V HA -0.290 3.833 4.120 0.005 0.000 0.248 729 V C 2.671 178.644 176.094 -0.201 0.000 1.053 729 V CA 2.150 64.263 62.300 -0.313 0.000 1.027 729 V CB -0.672 30.949 31.823 -0.338 0.000 0.646 729 V HN 0.296 nan 8.190 nan 0.000 0.447 730 R N -0.013 120.427 120.500 -0.099 0.000 2.073 730 R HA -0.091 4.252 4.340 0.005 0.000 0.229 730 R C 1.966 178.236 176.300 -0.050 0.000 1.120 730 R CA 1.387 57.462 56.100 -0.041 0.000 0.967 730 R CB -0.931 29.372 30.300 0.005 0.000 0.862 730 R HN 0.504 nan 8.270 nan 0.000 0.436 731 D N 0.306 120.672 120.400 -0.056 0.000 2.144 731 D HA -0.143 4.500 4.640 0.005 0.000 0.199 731 D C 1.618 177.824 176.300 -0.157 0.000 0.984 731 D CA 0.757 54.722 54.000 -0.058 0.000 0.834 731 D CB -0.319 40.505 40.800 0.040 0.000 0.955 731 D HN 0.103 nan 8.370 nan 0.000 0.465 732 F N 1.141 120.848 119.950 -0.405 0.000 2.113 732 F HA -0.193 4.336 4.527 0.004 0.000 0.297 732 F C 2.172 177.879 175.800 -0.154 0.000 1.103 732 F CA 0.994 58.758 58.000 -0.393 0.000 1.248 732 F CB -0.232 38.350 39.000 -0.697 0.000 0.999 732 F HN -0.215 nan 8.300 nan 0.000 0.475 733 V N 0.669 120.554 119.914 -0.049 0.000 2.332 733 V HA -0.334 3.789 4.120 0.005 0.000 0.248 733 V C 2.732 178.808 176.094 -0.029 0.000 1.055 733 V CA 1.787 64.086 62.300 -0.002 0.000 1.038 733 V CB -1.607 30.235 31.823 0.033 0.000 0.651 733 V HN 0.505 nan 8.190 nan 0.000 0.450 734 A N -0.510 122.272 122.820 -0.063 0.000 1.877 734 A HA -0.191 4.132 4.320 0.005 0.000 0.216 734 A C 2.477 180.004 177.584 -0.095 0.000 1.186 734 A CA 2.193 54.196 52.037 -0.056 0.000 0.620 734 A CB -0.783 18.192 19.000 -0.041 0.000 0.822 734 A HN 0.362 nan 8.150 nan 0.000 0.443 735 V N -0.663 119.155 119.914 -0.161 0.000 2.453 735 V HA -0.173 3.950 4.120 0.005 0.000 0.247 735 V C 2.041 178.013 176.094 -0.202 0.000 1.048 735 V CA 1.878 64.070 62.300 -0.181 0.000 1.049 735 V CB -0.498 31.208 31.823 -0.194 0.000 0.672 735 V HN 0.785 nan 8.190 nan 0.000 0.457 736 W N 1.183 122.185 121.300 -0.497 0.000 2.317 736 W HA -0.333 4.329 4.660 0.003 0.000 0.318 736 W C 2.280 178.685 176.519 -0.190 0.000 1.227 736 W CA 2.445 59.556 57.345 -0.389 0.000 1.269 736 W CB -0.685 28.499 29.460 -0.459 0.000 1.155 736 W HN 0.500 nan 8.180 nan 0.000 0.484 737 N N 0.951 119.622 118.700 -0.048 0.000 2.104 737 N HA -0.266 4.477 4.740 0.005 0.000 0.190 737 N C 1.914 177.299 175.510 -0.208 0.000 1.024 737 N CA 2.530 55.516 53.050 -0.108 0.000 0.853 737 N CB -0.692 37.789 38.487 -0.010 0.000 1.008 737 N HN 0.213 nan 8.380 nan 0.000 0.424 738 K N -0.116 120.169 120.400 -0.192 0.000 2.009 738 K HA -0.106 4.217 4.320 0.005 0.000 0.210 738 K C 1.696 178.117 176.600 -0.297 0.000 1.049 738 K CA 1.538 57.698 56.287 -0.212 0.000 0.929 738 K CB -0.258 32.148 32.500 -0.157 0.000 0.714 738 K HN 0.044 nan 8.250 nan 0.000 0.440 739 V N 1.484 121.201 119.914 -0.329 0.000 2.407 739 V HA -0.255 3.868 4.120 0.005 0.000 0.248 739 V C 2.451 178.259 176.094 -0.476 0.000 1.055 739 V CA 1.520 63.584 62.300 -0.395 0.000 1.049 739 V CB -0.371 31.231 31.823 -0.367 0.000 0.662 739 V HN 0.434 nan 8.190 nan 0.000 0.455 740 M N 0.069 119.356 119.600 -0.522 0.000 2.279 740 M HA -0.066 4.417 4.480 0.005 0.000 0.264 740 M C 1.310 177.396 176.300 -0.357 0.000 1.062 740 M CA 1.328 56.356 55.300 -0.452 0.000 1.099 740 M CB -1.146 31.208 32.600 -0.410 0.000 1.394 740 M HN 0.375 nan 8.290 nan 0.000 0.426 741 N N 0.024 118.503 118.700 -0.368 0.000 2.214 741 N HA 0.205 4.949 4.740 0.005 0.000 0.214 741 N C 1.503 176.707 175.510 -0.510 0.000 1.132 741 N CA 0.078 52.902 53.050 -0.375 0.000 0.856 741 N CB 0.219 38.520 38.487 -0.309 0.000 1.020 741 N HN 0.328 nan 8.380 nan 0.000 0.509 742 L N 0.626 121.473 121.223 -0.626 0.000 2.131 742 L HA -0.164 4.179 4.340 0.005 0.000 0.210 742 L C 1.251 177.349 176.870 -1.287 0.000 1.092 742 L CA 1.274 55.512 54.840 -1.004 0.000 0.759 742 L CB -0.134 41.146 42.059 -1.299 0.000 0.903 742 L HN 0.125 nan 8.230 nan 0.000 0.435 743 D N -1.608 118.282 120.400 -0.849 0.000 2.342 743 D HA -0.061 4.582 4.640 0.005 0.000 0.221 743 D C 0.796 176.782 176.300 -0.523 0.000 1.101 743 D CA -0.086 53.609 54.000 -0.508 0.000 0.837 743 D CB -0.024 40.774 40.800 -0.002 0.000 0.938 743 D HN 0.003 nan 8.370 nan 0.000 0.508 744 R N 0.874 120.994 120.500 -0.633 0.000 4.680 744 R HA 0.180 4.523 4.340 0.005 0.000 0.222 744 R C 0.130 176.192 176.300 -0.397 0.000 1.803 744 R CA -0.341 55.518 56.100 -0.402 0.000 1.560 744 R CB -1.303 28.797 30.300 -0.333 0.000 1.412 744 R HN 0.258 nan 8.270 nan 0.000 0.815 745 F N 0.821 120.725 119.950 -0.077 0.000 2.502 745 F HA -0.136 4.394 4.527 0.004 0.000 0.298 745 F C 2.075 177.842 175.800 -0.055 0.000 1.111 745 F CA 0.797 58.766 58.000 -0.050 0.000 1.445 745 F CB 0.057 39.047 39.000 -0.017 0.000 1.081 745 F HN 0.268 nan 8.300 nan 0.000 0.558 746 D N 0.850 121.287 120.400 0.063 0.000 2.309 746 D HA -0.177 4.466 4.640 0.005 0.000 0.212 746 D C 1.445 177.724 176.300 -0.035 0.000 0.968 746 D CA 1.167 55.168 54.000 0.001 0.000 0.882 746 D CB -0.404 40.378 40.800 -0.030 0.000 0.918 746 D HN 0.359 nan 8.370 nan 0.000 0.503 747 L N -0.205 120.979 121.223 -0.065 0.000 2.693 747 L HA 0.397 4.740 4.340 0.005 0.000 0.235 747 L C 1.281 178.114 176.870 -0.061 0.000 1.127 747 L CA -0.457 54.335 54.840 -0.081 0.000 0.914 747 L CB 0.316 42.298 42.059 -0.128 0.000 1.193 747 L HN -0.039 nan 8.230 nan 0.000 0.502 748 A N 0.000 122.806 122.820 -0.024 0.000 2.254 748 A HA 0.000 4.323 4.320 0.005 0.000 0.244 748 A CA 0.000 52.040 52.037 0.005 0.000 0.836 748 A CB 0.000 19.055 19.000 0.092 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486