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 2dv1_1_B DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAWHSA GTYRTADGRG GAGEGQQRFA DATA SEQUENCE PLNSWPENAN 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 0.000 175.481 175.510 -0.049 0.000 1.280 35 N CA 0.000 53.025 53.050 -0.042 0.000 0.885 35 N CB 0.000 38.469 38.487 -0.030 0.000 1.341 36 G N 0.892 109.668 108.800 -0.041 0.000 2.372 36 G HA2 0.494 4.457 3.960 0.004 0.000 0.283 36 G HA3 0.494 4.457 3.960 0.004 0.000 0.283 36 G C -0.026 174.829 174.900 -0.074 0.000 1.177 36 G CA 0.763 45.842 45.100 -0.035 0.000 0.842 36 G HN 0.807 nan 8.290 nan 0.000 0.503 37 T N 1.446 115.940 114.554 -0.100 0.000 2.834 37 T HA 0.380 4.733 4.350 0.004 0.000 0.298 37 T C 0.980 175.587 174.700 -0.154 0.000 0.966 37 T CA -0.014 61.935 62.100 -0.252 0.000 1.141 37 T CB 0.809 69.422 68.868 -0.425 0.000 0.905 37 T HN 0.781 nan 8.240 nan 0.000 0.535 38 S N 2.892 118.468 115.700 -0.208 0.000 2.747 38 S HA 0.363 4.835 4.470 0.004 0.000 0.300 38 S C 1.143 175.744 174.600 0.001 0.000 1.121 38 S CA -0.975 57.200 58.200 -0.042 0.000 0.995 38 S CB 0.973 64.157 63.200 -0.026 0.000 1.113 38 S HN 0.495 nan 8.310 nan 0.000 0.547 39 N N 0.676 119.492 118.700 0.193 0.000 2.223 39 N HA -0.071 4.671 4.740 0.004 0.000 0.185 39 N C 1.617 177.276 175.510 0.248 0.000 1.016 39 N CA 0.878 54.148 53.050 0.366 0.000 0.863 39 N CB -0.631 38.105 38.487 0.416 0.000 0.983 39 N HN 0.590 nan 8.380 nan 0.000 0.429 40 R N 1.133 121.698 120.500 0.109 0.000 2.091 40 R HA -0.073 4.270 4.340 0.004 0.000 0.238 40 R C 1.233 177.502 176.300 -0.051 0.000 1.136 40 R CA 1.352 57.483 56.100 0.052 0.000 0.959 40 R CB -0.167 30.145 30.300 0.018 0.000 0.856 40 R HN 0.193 nan 8.270 nan 0.000 0.437 41 D N -1.274 119.009 120.400 -0.197 0.000 2.097 41 D HA -0.177 4.465 4.640 0.004 0.000 0.197 41 D C 1.774 177.807 176.300 -0.445 0.000 0.984 41 D CA 1.241 55.016 54.000 -0.375 0.000 0.826 41 D CB -0.422 40.014 40.800 -0.607 0.000 0.973 41 D HN 0.331 nan 8.370 nan 0.000 0.460 42 W N -0.237 120.790 121.300 -0.454 0.000 2.381 42 W HA -0.053 4.609 4.660 0.004 0.000 0.301 42 W C 0.636 176.549 176.519 -1.010 0.000 1.205 42 W CA 0.131 56.903 57.345 -0.956 0.000 1.285 42 W CB 0.065 28.432 29.460 -1.821 0.000 1.133 42 W HN -0.055 nan 8.180 nan 0.000 0.521 43 W N 1.052 122.480 121.300 0.214 0.000 2.423 43 W HA 0.233 4.896 4.660 0.004 0.000 0.286 43 W C -1.978 174.583 176.519 0.069 0.000 1.001 43 W CA -1.808 55.608 57.345 0.118 0.000 1.643 43 W CB -0.150 29.364 29.460 0.091 0.000 1.593 43 W HN -0.173 nan 8.180 nan 0.000 0.403 44 P HA -0.102 nan 4.420 nan 0.000 0.225 44 P C 0.829 178.188 177.300 0.099 0.000 1.156 44 P CA 1.225 64.378 63.100 0.088 0.000 0.787 44 P CB 0.526 32.244 31.700 0.029 0.000 0.802 45 N N -0.599 118.174 118.700 0.123 0.000 2.353 45 N HA 0.008 4.750 4.740 0.004 0.000 0.185 45 N C 0.985 176.554 175.510 0.099 0.000 1.098 45 N CA 0.241 53.346 53.050 0.092 0.000 0.872 45 N CB -0.155 38.381 38.487 0.082 0.000 0.970 45 N HN 0.244 nan 8.380 nan 0.000 0.467 46 Q N 0.874 120.761 119.800 0.146 0.000 2.454 46 Q HA 0.180 4.522 4.340 0.004 0.000 0.247 46 Q C -0.543 175.533 176.000 0.128 0.000 1.028 46 Q CA -0.348 55.532 55.803 0.128 0.000 0.910 46 Q CB 0.531 29.344 28.738 0.126 0.000 1.276 46 Q HN 0.075 nan 8.270 nan 0.000 0.489 47 L N 2.539 123.856 121.223 0.157 0.000 2.380 47 L HA 0.202 4.545 4.340 0.004 0.000 0.273 47 L C -0.805 176.129 176.870 0.106 0.000 1.138 47 L CA 0.545 55.430 54.840 0.075 0.000 0.832 47 L CB 0.834 42.867 42.059 -0.044 0.000 1.124 47 L HN 0.664 nan 8.230 nan 0.000 0.454 48 D N 4.056 124.474 120.400 0.029 0.000 2.467 48 D HA 0.180 4.822 4.640 0.004 0.000 0.220 48 D C 0.804 177.090 176.300 -0.024 0.000 1.103 48 D CA -0.046 53.976 54.000 0.036 0.000 0.886 48 D CB 0.462 41.280 40.800 0.029 0.000 1.025 48 D HN 0.563 nan 8.370 nan 0.000 0.514 49 L N 2.279 123.491 121.223 -0.018 0.000 2.478 49 L HA -0.055 4.288 4.340 0.004 0.000 0.223 49 L C 2.260 179.083 176.870 -0.078 0.000 1.140 49 L CA 0.448 55.246 54.840 -0.069 0.000 0.842 49 L CB -0.349 41.706 42.059 -0.006 0.000 0.953 49 L HN 0.364 nan 8.230 nan 0.000 0.452 50 S N 0.983 116.689 115.700 0.009 0.000 2.419 50 S HA -0.213 4.260 4.470 0.004 0.000 0.233 50 S C 1.951 176.509 174.600 -0.069 0.000 1.016 50 S CA 1.148 59.364 58.200 0.026 0.000 0.974 50 S CB -0.808 62.422 63.200 0.049 0.000 0.786 50 S HN 0.622 nan 8.310 nan 0.000 0.492 51 I N -0.706 119.810 120.570 -0.089 0.000 2.530 51 I HA -0.060 4.112 4.170 0.004 0.000 0.257 51 I C 1.894 177.926 176.117 -0.141 0.000 1.179 51 I CA 1.364 62.605 61.300 -0.098 0.000 1.440 51 I CB -0.464 37.494 38.000 -0.069 0.000 1.087 51 I HN 0.230 nan 8.210 nan 0.000 0.440 52 L N 0.082 121.136 121.223 -0.281 0.000 2.492 52 L HA 0.038 4.380 4.340 0.004 0.000 0.223 52 L C 0.987 177.618 176.870 -0.399 0.000 1.132 52 L CA 0.690 55.304 54.840 -0.377 0.000 0.850 52 L CB -0.596 41.153 42.059 -0.517 0.000 0.966 52 L HN 0.399 nan 8.230 nan 0.000 0.454 53 H N -1.421 117.659 119.070 0.017 0.000 2.510 53 H HA 0.258 4.816 4.556 0.004 0.000 0.266 53 H C 0.174 175.488 175.328 -0.022 0.000 1.146 53 H CA -0.662 55.396 56.048 0.017 0.000 0.993 53 H CB 0.451 30.226 29.762 0.023 0.000 1.727 53 H HN -0.017 nan 8.280 nan 0.000 0.590 54 R N 0.195 120.681 120.500 -0.023 0.000 2.637 54 R HA 0.117 4.459 4.340 0.004 0.000 0.269 54 R C 0.092 176.337 176.300 -0.091 0.000 1.089 54 R CA -0.242 55.728 56.100 -0.217 0.000 1.177 54 R CB 0.061 30.034 30.300 -0.545 0.000 1.091 54 R HN 0.677 nan 8.270 nan 0.000 0.540 55 H N -2.194 116.918 119.070 0.070 0.000 2.839 55 H HA -0.165 4.393 4.556 0.004 0.000 0.298 55 H C 0.162 175.555 175.328 0.110 0.000 1.224 55 H CA 0.545 56.652 56.048 0.098 0.000 1.144 55 H CB -1.440 28.375 29.762 0.087 0.000 1.372 55 H HN 0.692 nan 8.280 nan 0.000 0.408 56 S N -0.481 115.308 115.700 0.149 0.000 2.624 56 S HA 0.221 4.694 4.470 0.004 0.000 0.263 56 S C 1.854 176.523 174.600 0.114 0.000 1.287 56 S CA -0.242 58.031 58.200 0.122 0.000 0.990 56 S CB 1.697 64.947 63.200 0.083 0.000 0.950 56 S HN 0.504 nan 8.310 nan 0.000 0.561 57 S N 0.976 116.729 115.700 0.088 0.000 2.442 57 S HA -0.094 4.379 4.470 0.004 0.000 0.236 57 S C 1.759 176.380 174.600 0.036 0.000 1.007 57 S CA 0.946 59.186 58.200 0.067 0.000 0.965 57 S CB -1.033 62.200 63.200 0.055 0.000 0.773 57 S HN 0.664 nan 8.310 nan 0.000 0.504 58 L N 2.083 123.325 121.223 0.032 0.000 2.017 58 L HA -0.082 4.260 4.340 0.004 0.000 0.208 58 L C 3.017 179.888 176.870 0.001 0.000 1.073 58 L CA 1.616 56.462 54.840 0.011 0.000 0.745 58 L CB -0.926 41.141 42.059 0.013 0.000 0.894 58 L HN 0.584 nan 8.230 nan 0.000 0.432 59 S N -2.246 113.470 115.700 0.026 0.000 2.562 59 S HA -0.051 4.422 4.470 0.004 0.000 0.221 59 S C 0.681 175.275 174.600 -0.011 0.000 0.975 59 S CA -0.175 58.042 58.200 0.029 0.000 0.918 59 S CB -0.307 62.934 63.200 0.069 0.000 0.772 59 S HN 0.280 nan 8.310 nan 0.000 0.531 60 D N 3.037 123.407 120.400 -0.050 0.000 2.295 60 D HA 0.280 4.922 4.640 0.004 0.000 0.248 60 D C -1.397 174.670 176.300 -0.388 0.000 1.154 60 D CA -2.206 51.642 54.000 -0.252 0.000 0.857 60 D CB 1.754 42.535 40.800 -0.031 0.000 1.117 60 D HN 0.063 nan 8.370 nan 0.000 0.468 61 P HA -0.013 nan 4.420 nan 0.000 0.231 61 P C 0.483 177.549 177.300 -0.389 0.000 1.168 61 P CA 0.258 63.055 63.100 -0.506 0.000 0.779 61 P CB 0.253 31.556 31.700 -0.661 0.000 0.844 62 M N 0.295 119.646 119.600 -0.415 0.000 2.241 62 M HA 0.320 4.803 4.480 0.004 0.000 0.335 62 M C 1.305 177.557 176.300 -0.080 0.000 1.122 62 M CA -0.882 54.258 55.300 -0.267 0.000 1.164 62 M CB -0.441 31.999 32.600 -0.267 0.000 1.459 62 M HN -0.178 nan 8.290 nan 0.000 0.461 63 G N 1.389 110.183 108.800 -0.011 0.000 2.664 63 G HA2 0.140 4.102 3.960 0.004 0.000 0.242 63 G HA3 0.140 4.102 3.960 0.004 0.000 0.242 63 G C 0.557 175.531 174.900 0.124 0.000 1.225 63 G CA -0.423 44.711 45.100 0.056 0.000 0.849 63 G HN 0.758 nan 8.290 nan 0.000 0.581 64 K N -0.308 120.149 120.400 0.095 0.000 2.217 64 K HA 0.012 4.334 4.320 0.004 0.000 0.202 64 K C 1.044 177.718 176.600 0.123 0.000 1.051 64 K CA 1.180 57.528 56.287 0.101 0.000 0.952 64 K CB 0.312 32.852 32.500 0.068 0.000 0.736 64 K HN 0.342 nan 8.250 nan 0.000 0.453 65 D N -0.252 120.224 120.400 0.126 0.000 2.388 65 D HA 0.005 4.647 4.640 0.004 0.000 0.221 65 D C -0.532 175.865 176.300 0.162 0.000 1.133 65 D CA -0.255 53.814 54.000 0.115 0.000 0.831 65 D CB -0.142 40.706 40.800 0.081 0.000 0.962 65 D HN 0.023 nan 8.370 nan 0.000 0.502 66 F N 2.585 122.582 119.950 0.078 0.000 2.578 66 F HA 0.093 4.623 4.527 0.004 0.000 0.381 66 F C 0.447 176.326 175.800 0.131 0.000 1.069 66 F CA -0.272 57.792 58.000 0.106 0.000 1.231 66 F CB 0.376 39.451 39.000 0.125 0.000 1.086 66 F HN -0.239 nan 8.300 nan 0.000 0.564 67 N N 6.244 124.580 118.700 -0.607 0.000 2.564 67 N HA 0.009 4.751 4.740 0.004 0.000 0.248 67 N C 0.350 175.392 175.510 -0.780 0.000 0.986 67 N CA -0.410 52.341 53.050 -0.497 0.000 0.921 67 N CB 0.277 38.643 38.487 -0.203 0.000 1.136 67 N HN 0.780 nan 8.380 nan 0.000 0.509 68 Y N 4.537 124.347 120.300 -0.818 0.000 2.181 68 Y HA -0.125 4.428 4.550 0.004 0.000 0.288 68 Y C 1.964 177.798 175.900 -0.111 0.000 1.146 68 Y CA 2.262 60.101 58.100 -0.435 0.000 1.164 68 Y CB -0.261 38.184 38.460 -0.025 0.000 0.982 68 Y HN 0.622 nan 8.280 nan 0.000 0.515 69 A N 0.294 122.948 122.820 -0.277 0.000 1.917 69 A HA -0.310 4.013 4.320 0.004 0.000 0.219 69 A C 2.152 179.635 177.584 -0.169 0.000 1.182 69 A CA 2.191 54.092 52.037 -0.227 0.000 0.633 69 A CB -0.864 18.085 19.000 -0.085 0.000 0.819 69 A HN 0.683 nan 8.150 nan 0.000 0.448 70 Q N -0.946 118.760 119.800 -0.157 0.000 2.124 70 Q HA -0.089 4.253 4.340 0.004 0.000 0.202 70 Q C 2.411 178.362 176.000 -0.082 0.000 0.977 70 Q CA 1.331 57.075 55.803 -0.098 0.000 0.850 70 Q CB -0.353 28.337 28.738 -0.081 0.000 0.901 70 Q HN 0.719 nan 8.270 nan 0.000 0.429 71 A N 0.295 123.048 122.820 -0.111 0.000 1.872 71 A HA -0.163 4.159 4.320 0.004 0.000 0.214 71 A C 1.824 179.382 177.584 -0.043 0.000 1.187 71 A CA 0.905 52.947 52.037 0.008 0.000 0.614 71 A CB -0.735 18.391 19.000 0.210 0.000 0.826 71 A HN 0.453 nan 8.150 nan 0.000 0.442 72 F N 0.908 120.638 119.950 -0.367 0.000 2.171 72 F HA -0.127 4.402 4.527 0.004 0.000 0.300 72 F C 2.124 177.834 175.800 -0.150 0.000 1.090 72 F CA 1.885 59.695 58.000 -0.317 0.000 1.293 72 F CB 0.068 38.719 39.000 -0.583 0.000 1.013 72 F HN 0.198 nan 8.300 nan 0.000 0.486 73 E N 0.422 120.575 120.200 -0.079 0.000 2.338 73 E HA -0.151 4.202 4.350 0.004 0.000 0.197 73 E C 1.767 178.280 176.600 -0.144 0.000 1.007 73 E CA 0.885 57.230 56.400 -0.093 0.000 0.849 73 E CB -0.156 29.540 29.700 -0.007 0.000 0.774 73 E HN 0.491 nan 8.360 nan 0.000 0.506 74 K N 0.175 120.498 120.400 -0.129 0.000 2.393 74 K HA 0.064 4.386 4.320 0.004 0.000 0.193 74 K C 0.633 177.159 176.600 -0.123 0.000 1.026 74 K CA -0.305 55.924 56.287 -0.096 0.000 1.064 74 K CB 0.266 32.742 32.500 -0.039 0.000 0.833 74 K HN -0.061 nan 8.250 nan 0.000 0.521 75 L N 2.145 123.233 121.223 -0.225 0.000 2.490 75 L HA -0.017 4.326 4.340 0.004 0.000 0.274 75 L C -0.103 176.635 176.870 -0.221 0.000 1.201 75 L CA 0.432 55.134 54.840 -0.230 0.000 0.869 75 L CB 0.436 42.228 42.059 -0.444 0.000 1.123 75 L HN 0.018 nan 8.230 nan 0.000 0.484 76 D N 4.046 124.372 120.400 -0.123 0.000 2.483 76 D HA 0.010 4.652 4.640 0.004 0.000 0.220 76 D C 0.929 177.119 176.300 -0.184 0.000 1.173 76 D CA -0.167 53.770 54.000 -0.105 0.000 0.964 76 D CB 0.354 41.149 40.800 -0.007 0.000 1.046 76 D HN 0.605 nan 8.370 nan 0.000 0.517 77 L N 4.309 125.406 121.223 -0.211 0.000 2.083 77 L HA -0.031 4.312 4.340 0.004 0.000 0.209 77 L C 2.042 178.818 176.870 -0.157 0.000 1.083 77 L CA 1.958 56.669 54.840 -0.215 0.000 0.752 77 L CB -0.566 41.404 42.059 -0.148 0.000 0.899 77 L HN 0.382 nan 8.230 nan 0.000 0.433 78 A N -0.409 122.350 122.820 -0.101 0.000 1.902 78 A HA -0.131 4.192 4.320 0.004 0.000 0.217 78 A C 2.473 180.024 177.584 -0.055 0.000 1.181 78 A CA 1.854 53.854 52.037 -0.061 0.000 0.623 78 A CB -1.156 17.820 19.000 -0.039 0.000 0.818 78 A HN 0.563 nan 8.150 nan 0.000 0.443 79 A N -0.473 122.316 122.820 -0.053 0.000 1.902 79 A HA -0.015 4.308 4.320 0.004 0.000 0.217 79 A C 2.231 179.786 177.584 -0.048 0.000 1.181 79 A CA 1.862 53.902 52.037 0.006 0.000 0.623 79 A CB -1.023 18.040 19.000 0.104 0.000 0.818 79 A HN 0.445 nan 8.150 nan 0.000 0.443 80 V N 0.315 120.042 119.914 -0.311 0.000 2.287 80 V HA -0.315 3.808 4.120 0.004 0.000 0.248 80 V C 2.422 178.401 176.094 -0.192 0.000 1.053 80 V CA 2.428 64.442 62.300 -0.475 0.000 1.027 80 V CB -0.807 30.604 31.823 -0.686 0.000 0.646 80 V HN 0.549 nan 8.190 nan 0.000 0.447 81 K N -0.158 120.159 120.400 -0.138 0.000 2.097 81 K HA -0.155 4.168 4.320 0.004 0.000 0.206 81 K C 2.396 179.053 176.600 0.095 0.000 1.049 81 K CA 1.386 57.647 56.287 -0.044 0.000 0.933 81 K CB -0.263 32.231 32.500 -0.011 0.000 0.717 81 K HN 0.427 nan 8.250 nan 0.000 0.442 82 R N 0.865 121.409 120.500 0.072 0.000 2.081 82 R HA -0.124 4.219 4.340 0.004 0.000 0.235 82 R C 1.779 178.137 176.300 0.097 0.000 1.131 82 R CA 1.469 57.626 56.100 0.094 0.000 0.960 82 R CB -0.243 30.081 30.300 0.041 0.000 0.856 82 R HN 0.210 nan 8.270 nan 0.000 0.436 83 D N 0.805 121.246 120.400 0.069 0.000 2.144 83 D HA -0.123 4.520 4.640 0.004 0.000 0.199 83 D C 1.989 178.310 176.300 0.036 0.000 0.984 83 D CA 0.997 55.038 54.000 0.069 0.000 0.834 83 D CB -0.110 40.761 40.800 0.118 0.000 0.955 83 D HN 0.171 nan 8.370 nan 0.000 0.465 84 L N 0.200 121.412 121.223 -0.019 0.000 2.056 84 L HA -0.164 4.178 4.340 0.004 0.000 0.207 84 L C 2.532 179.358 176.870 -0.074 0.000 1.078 84 L CA 0.984 55.764 54.840 -0.100 0.000 0.749 84 L CB -0.437 41.501 42.059 -0.202 0.000 0.901 84 L HN 0.184 nan 8.230 nan 0.000 0.433 85 H N -0.205 118.851 119.070 -0.022 0.000 2.319 85 H HA -0.176 4.382 4.556 0.004 0.000 0.297 85 H C 2.248 177.579 175.328 0.006 0.000 1.097 85 H CA 1.747 57.796 56.048 0.001 0.000 1.285 85 H CB -0.006 29.758 29.762 0.002 0.000 1.368 85 H HN 0.381 nan 8.280 nan 0.000 0.495 86 A N 1.006 123.907 122.820 0.135 0.000 1.902 86 A HA -0.137 4.186 4.320 0.004 0.000 0.217 86 A C 2.517 180.148 177.584 0.079 0.000 1.181 86 A CA 1.280 53.368 52.037 0.086 0.000 0.623 86 A CB -0.768 18.275 19.000 0.071 0.000 0.818 86 A HN 0.305 nan 8.150 nan 0.000 0.443 87 L N -0.703 120.573 121.223 0.089 0.000 2.079 87 L HA -0.178 4.164 4.340 0.004 0.000 0.210 87 L C 2.286 179.290 176.870 0.224 0.000 1.081 87 L CA 1.866 56.795 54.840 0.149 0.000 0.752 87 L CB -0.520 41.615 42.059 0.128 0.000 0.896 87 L HN 0.310 nan 8.230 nan 0.000 0.433 88 M N -0.525 119.151 119.600 0.126 0.000 2.108 88 M HA -0.177 4.306 4.480 0.004 0.000 0.257 88 M C 1.750 177.964 176.300 -0.144 0.000 1.071 88 M CA 2.209 57.519 55.300 0.018 0.000 1.093 88 M CB -1.930 30.500 32.600 -0.283 0.000 1.345 88 M HN 0.610 nan 8.290 nan 0.000 0.403 89 T N -3.949 110.534 114.554 -0.120 0.000 3.215 89 T HA 0.183 4.535 4.350 0.004 0.000 0.271 89 T C 0.251 174.923 174.700 -0.046 0.000 1.012 89 T CA -0.305 61.715 62.100 -0.133 0.000 0.899 89 T CB -0.417 68.391 68.868 -0.099 0.000 1.089 89 T HN 0.095 nan 8.240 nan 0.000 0.552 90 T N 2.570 117.152 114.554 0.048 0.000 3.145 90 T HA 0.419 4.772 4.350 0.004 0.000 0.348 90 T C 0.113 174.892 174.700 0.131 0.000 1.299 90 T CA -0.319 61.829 62.100 0.081 0.000 1.037 90 T CB 0.604 69.540 68.868 0.112 0.000 1.122 90 T HN 0.376 nan 8.240 nan 0.000 0.600 91 S N 3.571 119.270 115.700 -0.002 0.000 2.531 91 S HA 0.171 4.643 4.470 0.004 0.000 0.279 91 S C 0.041 174.653 174.600 0.020 0.000 1.305 91 S CA -0.608 57.566 58.200 -0.043 0.000 1.058 91 S CB 0.323 63.422 63.200 -0.167 0.000 0.899 91 S HN 0.439 nan 8.310 nan 0.000 0.493 92 Q N 3.090 122.885 119.800 -0.008 0.000 2.241 92 Q HA 0.248 4.590 4.340 0.004 0.000 0.254 92 Q C 0.251 176.077 176.000 -0.291 0.000 0.917 92 Q CA -0.610 55.044 55.803 -0.247 0.000 0.919 92 Q CB 1.463 29.766 28.738 -0.725 0.000 1.237 92 Q HN 0.689 nan 8.270 nan 0.000 0.434 93 D N 1.518 121.835 120.400 -0.137 0.000 2.219 93 D HA -0.132 4.510 4.640 0.004 0.000 0.205 93 D C 1.570 177.892 176.300 0.037 0.000 0.970 93 D CA 0.869 54.853 54.000 -0.027 0.000 0.851 93 D CB 0.131 40.968 40.800 0.061 0.000 0.943 93 D HN 0.692 nan 8.370 nan 0.000 0.488 94 W N -1.534 119.863 121.300 0.162 0.000 2.800 94 W HA 0.054 4.717 4.660 0.004 0.000 0.249 94 W C 0.359 177.097 176.519 0.365 0.000 1.294 94 W CA -0.196 57.271 57.345 0.203 0.000 1.402 94 W CB -0.491 29.073 29.460 0.173 0.000 1.126 94 W HN -0.039 nan 8.180 nan 0.000 0.652 95 W N 3.057 124.210 121.300 -0.246 0.000 1.896 95 W HA 0.238 4.900 4.660 0.004 0.000 0.302 95 W C -2.915 173.563 176.519 -0.068 0.000 1.016 95 W CA -1.821 55.450 57.345 -0.122 0.000 1.200 95 W CB 0.631 30.023 29.460 -0.113 0.000 1.226 95 W HN -0.367 nan 8.180 nan 0.000 0.308 96 P HA 0.026 nan 4.420 nan 0.000 0.265 96 P C -0.009 177.238 177.300 -0.087 0.000 1.193 96 P CA 0.650 63.681 63.100 -0.115 0.000 0.765 96 P CB 0.795 32.446 31.700 -0.083 0.000 0.823 97 A N 3.363 126.010 122.820 -0.289 0.000 2.491 97 A HA 0.111 4.433 4.320 0.004 0.000 0.261 97 A C 0.145 177.518 177.584 -0.351 0.000 1.101 97 A CA -0.202 51.504 52.037 -0.552 0.000 0.772 97 A CB -0.450 17.854 19.000 -1.161 0.000 1.043 97 A HN 0.441 nan 8.150 nan 0.000 0.501 98 D N 1.835 122.083 120.400 -0.253 0.000 2.488 98 D HA 0.173 4.815 4.640 0.004 0.000 0.238 98 D C 0.520 176.527 176.300 -0.489 0.000 1.138 98 D CA 0.640 54.278 54.000 -0.603 0.000 0.873 98 D CB -0.183 40.473 40.800 -0.240 0.000 1.183 98 D HN 0.508 nan 8.370 nan 0.000 0.458 99 F N 0.310 119.937 119.950 -0.540 0.000 3.079 99 F HA -0.264 4.266 4.527 0.004 0.000 0.285 99 F C 1.602 177.281 175.800 -0.202 0.000 0.819 99 F CA 0.558 58.380 58.000 -0.297 0.000 1.067 99 F CB -2.054 36.864 39.000 -0.136 0.000 1.263 99 F HN 0.635 nan 8.300 nan 0.000 0.458 100 G N -0.793 107.897 108.800 -0.184 0.000 2.166 100 G HA2 -0.327 3.635 3.960 0.004 0.000 0.260 100 G HA3 -0.327 3.635 3.960 0.004 0.000 0.260 100 G C -0.123 174.732 174.900 -0.077 0.000 0.986 100 G CA 0.499 45.519 45.100 -0.133 0.000 0.683 100 G HN 0.989 nan 8.290 nan 0.000 0.527 101 H N -1.674 117.310 119.070 -0.143 0.000 3.017 101 H HA 0.387 4.946 4.556 0.004 0.000 0.340 101 H C -0.080 175.232 175.328 -0.026 0.000 1.014 101 H CA -0.890 55.128 56.048 -0.050 0.000 1.341 101 H CB 0.771 30.571 29.762 0.064 0.000 1.739 101 H HN 0.027 nan 8.280 nan 0.000 0.506 102 Y N 2.897 123.307 120.300 0.182 0.000 2.553 102 Y HA 0.058 4.610 4.550 0.004 0.000 0.303 102 Y C 2.198 178.206 175.900 0.180 0.000 1.194 102 Y CA 0.830 58.964 58.100 0.058 0.000 1.305 102 Y CB 0.004 38.349 38.460 -0.190 0.000 1.045 102 Y HN 0.805 nan 8.280 nan 0.000 0.514 103 G N 0.117 109.312 108.800 0.659 0.000 2.446 103 G HA2 -0.275 3.687 3.960 0.004 0.000 0.217 103 G HA3 -0.275 3.687 3.960 0.004 0.000 0.217 103 G C 2.076 177.120 174.900 0.240 0.000 1.168 103 G CA 0.977 46.343 45.100 0.445 0.000 0.771 103 G HN 0.503 nan 8.290 nan 0.000 0.551 104 G N 0.732 109.674 108.800 0.236 0.000 2.440 104 G HA2 -0.160 3.803 3.960 0.004 0.000 0.218 104 G HA3 -0.160 3.803 3.960 0.004 0.000 0.218 104 G C 1.768 176.820 174.900 0.252 0.000 1.154 104 G CA 1.085 46.341 45.100 0.259 0.000 0.767 104 G HN 0.426 nan 8.290 nan 0.000 0.552 105 L N -0.445 120.902 121.223 0.206 0.000 2.042 105 L HA 0.082 4.424 4.340 0.004 0.000 0.210 105 L C 2.429 179.350 176.870 0.085 0.000 1.076 105 L CA 1.593 56.495 54.840 0.104 0.000 0.749 105 L CB -0.558 41.496 42.059 -0.008 0.000 0.893 105 L HN 0.164 nan 8.230 nan 0.000 0.432 106 F N -0.602 119.460 119.950 0.187 0.000 2.259 106 F HA -0.050 4.479 4.527 0.004 0.000 0.298 106 F C 2.318 178.218 175.800 0.167 0.000 1.088 106 F CA 0.937 59.023 58.000 0.143 0.000 1.358 106 F CB -0.650 38.424 39.000 0.123 0.000 1.040 106 F HN 0.038 nan 8.300 nan 0.000 0.505 107 I N -0.392 120.371 120.570 0.322 0.000 2.202 107 I HA -0.290 3.883 4.170 0.004 0.000 0.242 107 I C 2.702 179.079 176.117 0.432 0.000 1.091 107 I CA 1.213 62.683 61.300 0.284 0.000 1.368 107 I CB -0.412 37.619 38.000 0.052 0.000 1.058 107 I HN 0.012 nan 8.210 nan 0.000 0.410 108 R N 1.041 121.748 120.500 0.346 0.000 2.091 108 R HA -0.236 4.107 4.340 0.004 0.000 0.238 108 R C 2.425 178.806 176.300 0.135 0.000 1.136 108 R CA 1.755 58.041 56.100 0.311 0.000 0.959 108 R CB -0.272 30.118 30.300 0.150 0.000 0.856 108 R HN 0.307 nan 8.270 nan 0.000 0.437 109 M N 0.084 119.766 119.600 0.136 0.000 2.065 109 M HA -0.196 4.286 4.480 0.004 0.000 0.259 109 M C 2.145 178.538 176.300 0.156 0.000 1.069 109 M CA 2.312 57.675 55.300 0.104 0.000 1.110 109 M CB -0.226 32.499 32.600 0.208 0.000 1.328 109 M HN 0.323 nan 8.290 nan 0.000 0.405 110 A N 0.510 123.500 122.820 0.283 0.000 1.898 110 A HA -0.236 4.086 4.320 0.004 0.000 0.216 110 A C 2.071 179.796 177.584 0.234 0.000 1.181 110 A CA 1.510 53.704 52.037 0.262 0.000 0.620 110 A CB -1.643 17.608 19.000 0.418 0.000 0.819 110 A HN 0.934 nan 8.150 nan 0.000 0.442 111 W N 0.447 121.922 121.300 0.292 0.000 2.335 111 W HA -0.241 4.421 4.660 0.003 0.000 0.311 111 W C 1.830 178.485 176.519 0.226 0.000 1.213 111 W CA 1.889 59.390 57.345 0.260 0.000 1.274 111 W CB -0.709 29.030 29.460 0.465 0.000 1.148 111 W HN 0.604 nan 8.180 nan 0.000 0.498 112 H N -0.235 118.533 119.070 -0.504 0.000 2.423 112 H HA -0.151 4.407 4.556 0.004 0.000 0.297 112 H C 2.686 177.740 175.328 -0.456 0.000 1.075 112 H CA 1.268 56.916 56.048 -0.667 0.000 1.342 112 H CB -0.152 29.374 29.762 -0.393 0.000 1.395 112 H HN 0.127 nan 8.280 nan 0.000 0.530 113 S N 0.505 116.115 115.700 -0.149 0.000 2.365 113 S HA -0.205 4.268 4.470 0.004 0.000 0.225 113 S C 2.364 176.835 174.600 -0.214 0.000 1.039 113 S CA 1.202 59.299 58.200 -0.171 0.000 1.033 113 S CB -0.210 62.928 63.200 -0.103 0.000 0.887 113 S HN 0.510 nan 8.310 nan 0.000 0.447 114 A N 0.180 122.872 122.820 -0.213 0.000 2.016 114 A HA 0.290 4.613 4.320 0.004 0.000 0.217 114 A C 2.175 179.641 177.584 -0.197 0.000 1.162 114 A CA 1.272 53.187 52.037 -0.202 0.000 0.662 114 A CB -1.090 17.790 19.000 -0.200 0.000 0.812 114 A HN 0.612 nan 8.150 nan 0.000 0.450 115 G N -0.349 108.178 108.800 -0.455 0.000 2.679 115 G HA2 -0.031 3.932 3.960 0.004 0.000 0.212 115 G HA3 -0.031 3.932 3.960 0.004 0.000 0.212 115 G C 1.406 175.958 174.900 -0.580 0.000 1.137 115 G CA 1.501 46.150 45.100 -0.751 0.000 0.787 115 G HN 0.630 nan 8.290 nan 0.000 0.534 116 T N -2.820 111.547 114.554 -0.313 0.000 3.113 116 T HA 0.066 4.419 4.350 0.004 0.000 0.256 116 T C 0.939 175.734 174.700 0.158 0.000 1.131 116 T CA -0.454 61.596 62.100 -0.083 0.000 1.074 116 T CB -0.295 68.502 68.868 -0.119 0.000 0.944 116 T HN 0.167 nan 8.240 nan 0.000 0.516 117 Y N 3.459 123.755 120.300 -0.007 0.000 2.620 117 Y HA 0.349 4.901 4.550 0.003 0.000 0.330 117 Y C 0.048 175.988 175.900 0.068 0.000 1.186 117 Y CA -0.861 57.253 58.100 0.024 0.000 1.467 117 Y CB 0.298 38.748 38.460 -0.016 0.000 1.262 117 Y HN 0.069 nan 8.280 nan 0.000 0.550 118 R N 3.405 123.586 120.500 -0.532 0.000 2.494 118 R HA 0.243 4.585 4.340 0.004 0.000 0.305 118 R C 0.887 176.674 176.300 -0.855 0.000 0.959 118 R CA -0.427 55.378 56.100 -0.492 0.000 0.864 118 R CB 1.434 31.598 30.300 -0.228 0.000 1.159 118 R HN 0.718 nan 8.270 nan 0.000 0.446 119 T N 1.113 115.328 114.554 -0.565 0.000 2.951 119 T HA -0.078 4.275 4.350 0.004 0.000 0.268 119 T C 1.770 176.344 174.700 -0.210 0.000 1.073 119 T CA 1.697 63.585 62.100 -0.353 0.000 1.134 119 T CB -0.010 68.814 68.868 -0.074 0.000 0.884 119 T HN 0.658 nan 8.240 nan 0.000 0.479 120 A N 1.948 124.658 122.820 -0.183 0.000 1.883 120 A HA -0.125 4.197 4.320 0.004 0.000 0.217 120 A C 1.906 179.406 177.584 -0.141 0.000 1.186 120 A CA 2.296 54.256 52.037 -0.128 0.000 0.624 120 A CB -0.442 18.496 19.000 -0.104 0.000 0.822 120 A HN 0.754 nan 8.150 nan 0.000 0.444 121 D N -4.411 115.883 120.400 -0.176 0.000 2.500 121 D HA 0.310 4.953 4.640 0.004 0.000 0.218 121 D C 1.114 177.320 176.300 -0.157 0.000 1.140 121 D CA 0.952 54.859 54.000 -0.154 0.000 0.830 121 D CB -0.481 40.231 40.800 -0.147 0.000 1.055 121 D HN 0.910 nan 8.370 nan 0.000 0.512 122 G N 0.727 109.391 108.800 -0.226 0.000 2.184 122 G HA2 -0.343 3.619 3.960 0.004 0.000 0.264 122 G HA3 -0.343 3.619 3.960 0.004 0.000 0.264 122 G C 0.331 175.191 174.900 -0.068 0.000 0.975 122 G CA 0.158 45.171 45.100 -0.144 0.000 0.642 122 G HN 0.440 nan 8.290 nan 0.000 0.536 123 R N 0.233 120.643 120.500 -0.151 0.000 2.637 123 R HA 0.528 4.870 4.340 0.004 0.000 0.269 123 R C 1.209 177.487 176.300 -0.038 0.000 1.089 123 R CA 0.499 56.533 56.100 -0.110 0.000 1.177 123 R CB 0.429 30.604 30.300 -0.208 0.000 1.091 123 R HN 1.434 nan 8.270 nan 0.000 0.540 124 G N -0.349 108.477 108.800 0.043 0.000 2.750 124 G HA2 0.130 4.093 3.960 0.004 0.000 0.228 124 G HA3 0.130 4.093 3.960 0.004 0.000 0.228 124 G C 0.105 175.112 174.900 0.178 0.000 1.367 124 G CA -0.366 44.852 45.100 0.197 0.000 0.871 124 G HN 1.161 nan 8.290 nan 0.000 0.560 125 G N -2.808 106.065 108.800 0.122 0.000 2.655 125 G HA2 0.448 4.410 3.960 0.004 0.000 0.680 125 G HA3 0.448 4.410 3.960 0.004 0.000 0.680 125 G C 0.919 175.763 174.900 -0.093 0.000 1.302 125 G CA 1.061 46.167 45.100 0.011 0.000 0.872 125 G HN 2.475 nan 8.290 nan 0.000 0.540 126 A N -0.453 122.264 122.820 -0.170 0.000 2.178 126 A HA 0.500 4.823 4.320 0.004 0.000 0.211 126 A C 2.592 180.070 177.584 -0.176 0.000 1.157 126 A CA 1.778 53.706 52.037 -0.183 0.000 0.780 126 A CB -0.473 18.391 19.000 -0.227 0.000 0.828 126 A HN 2.323 nan 8.150 nan 0.000 0.476 127 G N -0.159 108.535 108.800 -0.177 0.000 2.498 127 G HA2 -0.117 3.845 3.960 0.004 0.000 0.219 127 G HA3 -0.117 3.845 3.960 0.004 0.000 0.219 127 G C 1.044 175.856 174.900 -0.147 0.000 1.119 127 G CA 0.967 45.961 45.100 -0.177 0.000 0.766 127 G HN 0.660 nan 8.290 nan 0.000 0.552 128 E N -1.058 119.066 120.200 -0.126 0.000 2.630 128 E HA 0.302 4.654 4.350 0.004 0.000 0.218 128 E C 1.382 177.907 176.600 -0.126 0.000 0.977 128 E CA 0.071 56.393 56.400 -0.131 0.000 1.038 128 E CB 0.689 30.321 29.700 -0.114 0.000 1.051 128 E HN 0.260 nan 8.360 nan 0.000 0.487 129 G N 2.283 111.006 108.800 -0.128 0.000 2.198 129 G HA2 -0.327 3.636 3.960 0.004 0.000 0.260 129 G HA3 -0.327 3.636 3.960 0.004 0.000 0.260 129 G C 0.888 175.672 174.900 -0.193 0.000 1.025 129 G CA 0.258 45.267 45.100 -0.151 0.000 0.769 129 G HN 0.194 nan 8.290 nan 0.000 0.507 130 Q N -0.730 119.004 119.800 -0.110 0.000 2.500 130 Q HA -0.037 4.305 4.340 0.004 0.000 0.213 130 Q C 2.305 178.197 176.000 -0.180 0.000 0.974 130 Q CA 1.260 57.044 55.803 -0.032 0.000 0.918 130 Q CB 0.018 28.770 28.738 0.024 0.000 0.980 130 Q HN 0.899 nan 8.270 nan 0.000 0.505 131 Q N 1.153 120.793 119.800 -0.267 0.000 2.291 131 Q HA -0.147 4.195 4.340 0.004 0.000 0.206 131 Q C 1.737 177.514 176.000 -0.372 0.000 0.976 131 Q CA 0.856 56.472 55.803 -0.312 0.000 0.875 131 Q CB 0.139 28.723 28.738 -0.257 0.000 0.927 131 Q HN 0.351 nan 8.270 nan 0.000 0.450 132 R N -1.193 118.980 120.500 -0.544 0.000 2.313 132 R HA 0.088 4.430 4.340 0.004 0.000 0.199 132 R C -0.308 175.545 176.300 -0.744 0.000 0.958 132 R CA 0.001 55.650 56.100 -0.753 0.000 1.047 132 R CB 0.139 29.772 30.300 -1.111 0.000 0.955 132 R HN 0.020 nan 8.270 nan 0.000 0.481 133 F N 0.475 120.287 119.950 -0.231 0.000 2.594 133 F HA 0.611 5.140 4.527 0.004 0.000 0.335 133 F C 0.501 176.208 175.800 -0.154 0.000 1.058 133 F CA -1.605 56.295 58.000 -0.165 0.000 0.981 133 F CB 1.157 40.087 39.000 -0.117 0.000 1.289 133 F HN -0.092 nan 8.300 nan 0.000 0.490 134 A N 1.560 124.456 122.820 0.125 0.000 2.407 134 A HA 0.356 4.679 4.320 0.004 0.000 0.248 134 A C -1.850 175.769 177.584 0.058 0.000 1.082 134 A CA -1.018 51.049 52.037 0.050 0.000 0.785 134 A CB -0.201 18.839 19.000 0.067 0.000 1.020 134 A HN 0.550 nan 8.150 nan 0.000 0.489 135 P HA 0.068 nan 4.420 nan 0.000 0.245 135 P C 1.152 178.307 177.300 -0.243 0.000 1.203 135 P CA 0.363 63.487 63.100 0.041 0.000 0.792 135 P CB 0.136 32.003 31.700 0.278 0.000 0.997 136 L N 1.030 121.913 121.223 -0.567 0.000 2.131 136 L HA -0.170 4.172 4.340 0.004 0.000 0.210 136 L C 2.298 178.900 176.870 -0.447 0.000 1.092 136 L CA 1.780 56.056 54.840 -0.939 0.000 0.759 136 L CB -1.244 40.273 42.059 -0.902 0.000 0.903 136 L HN 0.116 nan 8.230 nan 0.000 0.435 137 N N -1.134 117.408 118.700 -0.263 0.000 2.430 137 N HA -0.166 4.576 4.740 0.004 0.000 0.186 137 N C 1.211 176.711 175.510 -0.017 0.000 1.032 137 N CA 1.440 54.398 53.050 -0.154 0.000 0.893 137 N CB -0.381 37.995 38.487 -0.185 0.000 0.957 137 N HN 0.109 nan 8.380 nan 0.000 0.442 138 S N -1.813 113.867 115.700 -0.033 0.000 2.701 138 S HA 0.169 4.642 4.470 0.004 0.000 0.242 138 S C -0.704 173.919 174.600 0.039 0.000 1.025 138 S CA -0.798 57.391 58.200 -0.018 0.000 1.016 138 S CB 0.053 63.161 63.200 -0.154 0.000 0.977 138 S HN 0.252 nan 8.310 nan 0.000 0.546 139 W N 3.303 124.461 121.300 -0.236 0.000 2.223 139 W HA 0.242 4.905 4.660 0.004 0.000 0.334 139 W C -2.012 174.326 176.519 -0.302 0.000 1.334 139 W CA -2.001 55.065 57.345 -0.465 0.000 1.246 139 W CB -0.200 29.066 29.460 -0.323 0.000 1.184 139 W HN 0.115 nan 8.180 nan 0.000 0.563 140 P HA -0.253 nan 4.420 nan 0.000 0.216 140 P C 1.189 178.389 177.300 -0.166 0.000 1.150 140 P CA 1.924 64.921 63.100 -0.173 0.000 0.843 140 P CB 0.210 31.793 31.700 -0.195 0.000 0.787 141 E N -1.291 118.865 120.200 -0.073 0.000 2.482 141 E HA -0.067 4.285 4.350 0.004 0.000 0.196 141 E C 0.591 177.247 176.600 0.094 0.000 1.047 141 E CA 0.185 56.589 56.400 0.007 0.000 0.869 141 E CB -0.294 29.409 29.700 0.004 0.000 0.836 141 E HN 0.145 nan 8.360 nan 0.000 0.520 142 N N 0.436 119.146 118.700 0.017 0.000 2.276 142 N HA 0.097 4.840 4.740 0.004 0.000 0.212 142 N C -0.598 174.647 175.510 -0.442 0.000 1.127 142 N CA 0.070 53.094 53.050 -0.042 0.000 0.834 142 N CB 0.647 39.153 38.487 0.030 0.000 1.014 142 N HN 0.054 nan 8.380 nan 0.000 0.491 143 A N 0.991 123.287 122.820 -0.873 0.000 2.540 143 A HA 0.112 4.435 4.320 0.004 0.000 0.239 143 A C 0.949 177.985 177.584 -0.913 0.000 1.061 143 A CA 0.042 50.991 52.037 -1.813 0.000 0.758 143 A CB -0.011 18.016 19.000 -1.621 0.000 0.991 143 A HN 0.461 nan 8.150 nan 0.000 0.502 144 N N 0.012 118.261 118.700 -0.752 0.000 2.900 144 N HA -0.187 4.555 4.740 0.004 0.000 0.240 144 N C 0.742 176.044 175.510 -0.346 0.000 0.953 144 N CA 1.558 54.327 53.050 -0.468 0.000 0.950 144 N CB -1.328 36.871 38.487 -0.480 0.000 1.102 144 N HN 0.671 nan 8.380 nan 0.000 0.593 145 L N 1.263 122.338 121.223 -0.246 0.000 2.376 145 L HA -0.114 4.228 4.340 0.004 0.000 0.219 145 L C 2.194 179.011 176.870 -0.088 0.000 1.133 145 L CA 1.412 56.167 54.840 -0.142 0.000 0.816 145 L CB -0.392 41.593 42.059 -0.122 0.000 0.933 145 L HN 0.244 nan 8.230 nan 0.000 0.449 146 D N 0.335 120.711 120.400 -0.039 0.000 2.158 146 D HA -0.239 4.403 4.640 0.004 0.000 0.197 146 D C 1.666 177.922 176.300 -0.073 0.000 0.995 146 D CA 1.240 55.214 54.000 -0.044 0.000 0.846 146 D CB -0.218 40.594 40.800 0.020 0.000 0.941 146 D HN 0.195 nan 8.370 nan 0.000 0.456 147 K N 1.213 121.517 120.400 -0.159 0.000 2.057 147 K HA 0.045 4.367 4.320 0.004 0.000 0.206 147 K C 2.416 179.021 176.600 0.008 0.000 1.050 147 K CA 1.274 57.496 56.287 -0.108 0.000 0.935 147 K CB -0.906 31.185 32.500 -0.681 0.000 0.715 147 K HN 0.298 nan 8.250 nan 0.000 0.439 148 A N 1.974 124.750 122.820 -0.073 0.000 1.877 148 A HA -0.180 4.142 4.320 0.004 0.000 0.216 148 A C 2.283 180.029 177.584 0.270 0.000 1.186 148 A CA 1.512 53.576 52.037 0.046 0.000 0.620 148 A CB -0.425 18.600 19.000 0.042 0.000 0.822 148 A HN 0.266 nan 8.150 nan 0.000 0.443 149 R N -1.356 119.242 120.500 0.164 0.000 2.092 149 R HA -0.105 4.238 4.340 0.004 0.000 0.231 149 R C 2.407 178.886 176.300 0.298 0.000 1.119 149 R CA 1.418 57.634 56.100 0.192 0.000 0.970 149 R CB -0.259 29.986 30.300 -0.091 0.000 0.864 149 R HN 0.409 nan 8.270 nan 0.000 0.440 150 R N 1.445 122.077 120.500 0.221 0.000 2.096 150 R HA -0.042 4.301 4.340 0.004 0.000 0.235 150 R C 1.949 178.534 176.300 0.475 0.000 1.127 150 R CA 1.252 57.525 56.100 0.288 0.000 0.968 150 R CB -0.626 29.743 30.300 0.116 0.000 0.861 150 R HN 0.192 nan 8.270 nan 0.000 0.440 151 L N -0.113 121.391 121.223 0.468 0.000 2.265 151 L HA -0.102 4.240 4.340 0.004 0.000 0.215 151 L C 1.773 178.848 176.870 0.341 0.000 1.117 151 L CA 0.875 55.947 54.840 0.387 0.000 0.782 151 L CB -0.213 41.934 42.059 0.148 0.000 0.914 151 L HN 0.199 nan 8.230 nan 0.000 0.441 152 L N -1.821 119.625 121.223 0.372 0.000 2.558 152 L HA -0.103 4.239 4.340 0.004 0.000 0.225 152 L C 2.169 179.193 176.870 0.257 0.000 1.128 152 L CA 0.132 55.124 54.840 0.253 0.000 0.868 152 L CB -0.360 41.853 42.059 0.256 0.000 1.006 152 L HN 0.490 nan 8.230 nan 0.000 0.454 153 W N 3.085 124.529 121.300 0.239 0.000 2.335 153 W HA -0.174 4.488 4.660 0.004 0.000 0.311 153 W C -0.939 175.621 176.519 0.069 0.000 1.213 153 W CA 1.171 58.630 57.345 0.190 0.000 1.274 153 W CB -1.062 28.546 29.460 0.245 0.000 1.148 153 W HN 0.098 nan 8.180 nan 0.000 0.498 154 P HA -0.212 nan 4.420 nan 0.000 0.216 154 P C 1.673 178.771 177.300 -0.336 0.000 1.150 154 P CA 2.169 65.034 63.100 -0.390 0.000 0.837 154 P CB -0.311 31.318 31.700 -0.118 0.000 0.786 155 I N -0.978 119.492 120.570 -0.165 0.000 2.233 155 I HA -0.224 3.948 4.170 0.004 0.000 0.243 155 I C 2.394 178.451 176.117 -0.101 0.000 1.093 155 I CA 1.278 62.542 61.300 -0.060 0.000 1.380 155 I CB -0.327 37.676 38.000 0.006 0.000 1.067 155 I HN -0.146 nan 8.210 nan 0.000 0.413 156 K N 1.156 121.402 120.400 -0.256 0.000 2.063 156 K HA -0.279 4.043 4.320 0.004 0.000 0.208 156 K C 2.142 178.551 176.600 -0.319 0.000 1.048 156 K CA 1.744 57.829 56.287 -0.335 0.000 0.928 156 K CB -0.322 31.812 32.500 -0.610 0.000 0.713 156 K HN 0.270 nan 8.250 nan 0.000 0.442 157 Q N 0.381 119.763 119.800 -0.696 0.000 2.061 157 Q HA -0.242 4.101 4.340 0.004 0.000 0.204 157 Q C 2.058 177.817 176.000 -0.402 0.000 0.984 157 Q CA 2.061 57.399 55.803 -0.775 0.000 0.846 157 Q CB -0.167 27.754 28.738 -1.361 0.000 0.902 157 Q HN 0.340 nan 8.270 nan 0.000 0.421 158 K N -0.804 119.352 120.400 -0.405 0.000 2.057 158 K HA -0.185 4.138 4.320 0.004 0.000 0.207 158 K C 1.435 177.727 176.600 -0.514 0.000 1.049 158 K CA 1.588 57.600 56.287 -0.458 0.000 0.931 158 K CB -0.086 32.074 32.500 -0.567 0.000 0.714 158 K HN 0.323 nan 8.250 nan 0.000 0.440 159 Y N -0.158 120.066 120.300 -0.126 0.000 2.510 159 Y HA 0.158 4.710 4.550 0.004 0.000 0.273 159 Y C 1.559 177.445 175.900 -0.023 0.000 1.119 159 Y CA 0.282 58.342 58.100 -0.067 0.000 1.286 159 Y CB 0.342 38.765 38.460 -0.062 0.000 1.061 159 Y HN 0.370 nan 8.280 nan 0.000 0.542 160 G N 1.744 110.580 108.800 0.059 0.000 2.611 160 G HA2 -0.432 3.530 3.960 0.004 0.000 0.301 160 G HA3 -0.432 3.530 3.960 0.004 0.000 0.301 160 G C 1.254 176.248 174.900 0.155 0.000 1.233 160 G CA 0.753 45.900 45.100 0.079 0.000 0.993 160 G HN 0.462 nan 8.290 nan 0.000 0.553 161 R N 1.151 121.758 120.500 0.180 0.000 2.280 161 R HA 0.390 4.732 4.340 0.004 0.000 0.207 161 R C 2.491 179.074 176.300 0.472 0.000 1.043 161 R CA 1.800 58.066 56.100 0.277 0.000 1.006 161 R CB -0.373 30.014 30.300 0.144 0.000 0.885 161 R HN 1.056 nan 8.270 nan 0.000 0.467 162 A N 1.395 124.428 122.820 0.355 0.000 2.119 162 A HA 0.129 4.451 4.320 0.004 0.000 0.217 162 A C 1.130 178.969 177.584 0.426 0.000 1.153 162 A CA 0.472 52.709 52.037 0.333 0.000 0.692 162 A CB 0.000 19.114 19.000 0.189 0.000 0.799 162 A HN 0.435 nan 8.150 nan 0.000 0.458 163 I N 0.581 121.403 120.570 0.420 0.000 2.512 163 I HA 0.282 4.454 4.170 0.004 0.000 0.287 163 I C 0.010 176.286 176.117 0.265 0.000 1.069 163 I CA -0.681 60.885 61.300 0.444 0.000 1.056 163 I CB 2.001 40.129 38.000 0.213 0.000 1.229 163 I HN 0.190 nan 8.210 nan 0.000 0.429 164 S N 4.453 120.272 115.700 0.198 0.000 2.603 164 S HA 0.164 4.636 4.470 0.004 0.000 0.268 164 S C 0.693 175.280 174.600 -0.021 0.000 1.317 164 S CA -0.307 57.841 58.200 -0.087 0.000 1.012 164 S CB 0.778 63.708 63.200 -0.450 0.000 0.926 164 S HN 0.805 nan 8.310 nan 0.000 0.539 165 W N 1.340 122.598 121.300 -0.070 0.000 2.338 165 W HA -0.125 4.537 4.660 0.004 0.000 0.304 165 W C 2.802 179.261 176.519 -0.100 0.000 1.212 165 W CA 1.475 58.775 57.345 -0.075 0.000 1.264 165 W CB -0.703 28.669 29.460 -0.146 0.000 1.142 165 W HN 0.939 nan 8.180 nan 0.000 0.512 166 A N 0.226 123.098 122.820 0.088 0.000 1.892 166 A HA -0.276 4.046 4.320 0.004 0.000 0.218 166 A C 1.689 179.274 177.584 0.002 0.000 1.188 166 A CA 2.382 54.407 52.037 -0.020 0.000 0.631 166 A CB -0.973 17.956 19.000 -0.118 0.000 0.822 166 A HN 0.201 nan 8.150 nan 0.000 0.447 167 D N -0.792 119.625 120.400 0.029 0.000 2.117 167 D HA -0.083 4.560 4.640 0.004 0.000 0.198 167 D C 1.843 178.249 176.300 0.177 0.000 0.982 167 D CA 1.060 55.144 54.000 0.141 0.000 0.828 167 D CB -0.380 40.551 40.800 0.219 0.000 0.967 167 D HN 0.314 nan 8.370 nan 0.000 0.464 168 L N 0.758 122.042 121.223 0.102 0.000 2.083 168 L HA -0.104 4.239 4.340 0.004 0.000 0.209 168 L C 2.126 179.018 176.870 0.037 0.000 1.083 168 L CA 1.316 56.171 54.840 0.025 0.000 0.752 168 L CB -0.482 41.541 42.059 -0.059 0.000 0.899 168 L HN 0.023 nan 8.230 nan 0.000 0.433 169 L N -1.262 120.024 121.223 0.105 0.000 2.046 169 L HA -0.229 4.114 4.340 0.004 0.000 0.208 169 L C 2.437 179.358 176.870 0.085 0.000 1.077 169 L CA 0.836 55.737 54.840 0.101 0.000 0.747 169 L CB -0.648 41.467 42.059 0.095 0.000 0.896 169 L HN 0.270 nan 8.230 nan 0.000 0.432 170 I N -0.446 120.178 120.570 0.091 0.000 2.233 170 I HA -0.235 3.937 4.170 0.004 0.000 0.243 170 I C 2.501 178.710 176.117 0.153 0.000 1.093 170 I CA 1.201 62.587 61.300 0.143 0.000 1.380 170 I CB -1.052 37.019 38.000 0.117 0.000 1.067 170 I HN 0.217 nan 8.210 nan 0.000 0.413 171 L N 0.918 122.135 121.223 -0.010 0.000 2.042 171 L HA -0.217 4.126 4.340 0.004 0.000 0.210 171 L C 2.479 179.226 176.870 -0.206 0.000 1.076 171 L CA 2.073 56.681 54.840 -0.387 0.000 0.749 171 L CB -0.982 40.744 42.059 -0.554 0.000 0.893 171 L HN 0.195 nan 8.230 nan 0.000 0.432 172 T N -0.623 113.837 114.554 -0.156 0.000 2.720 172 T HA -0.142 4.210 4.350 0.004 0.000 0.268 172 T C 1.722 176.370 174.700 -0.088 0.000 1.037 172 T CA 1.296 63.259 62.100 -0.228 0.000 1.144 172 T CB -0.996 67.646 68.868 -0.377 0.000 0.864 172 T HN 0.611 nan 8.240 nan 0.000 0.444 173 G N 1.744 110.607 108.800 0.104 0.000 2.446 173 G HA2 -0.291 3.672 3.960 0.004 0.000 0.217 173 G HA3 -0.291 3.672 3.960 0.004 0.000 0.217 173 G C 1.641 176.630 174.900 0.149 0.000 1.168 173 G CA 1.026 46.287 45.100 0.268 0.000 0.771 173 G HN 0.404 nan 8.290 nan 0.000 0.551 174 N N 0.179 119.001 118.700 0.203 0.000 2.069 174 N HA -0.107 4.636 4.740 0.004 0.000 0.191 174 N C 2.276 177.758 175.510 -0.047 0.000 1.031 174 N CA 1.246 54.369 53.050 0.121 0.000 0.852 174 N CB -0.560 38.018 38.487 0.151 0.000 1.018 174 N HN 0.186 nan 8.380 nan 0.000 0.423 175 V N 0.916 120.753 119.914 -0.129 0.000 2.407 175 V HA -0.183 3.940 4.120 0.004 0.000 0.248 175 V C 2.255 178.216 176.094 -0.221 0.000 1.055 175 V CA 1.711 63.857 62.300 -0.258 0.000 1.049 175 V CB -1.031 30.562 31.823 -0.384 0.000 0.662 175 V HN 0.341 nan 8.190 nan 0.000 0.455 176 A N -0.048 122.705 122.820 -0.111 0.000 1.883 176 A HA -0.197 4.125 4.320 0.004 0.000 0.217 176 A C 2.229 179.732 177.584 -0.135 0.000 1.186 176 A CA 1.977 54.007 52.037 -0.012 0.000 0.624 176 A CB -0.595 18.460 19.000 0.091 0.000 0.822 176 A HN 0.487 nan 8.150 nan 0.000 0.444 177 L N -0.769 120.304 121.223 -0.250 0.000 2.012 177 L HA -0.260 4.083 4.340 0.004 0.000 0.210 177 L C 2.687 179.523 176.870 -0.058 0.000 1.073 177 L CA 2.019 56.678 54.840 -0.302 0.000 0.748 177 L CB -0.608 41.241 42.059 -0.350 0.000 0.891 177 L HN 0.483 nan 8.230 nan 0.000 0.431 178 E N -0.834 119.355 120.200 -0.019 0.000 2.051 178 E HA -0.232 4.120 4.350 0.004 0.000 0.192 178 E C 2.327 179.025 176.600 0.163 0.000 0.991 178 E CA 1.404 57.844 56.400 0.067 0.000 0.799 178 E CB -0.158 29.591 29.700 0.081 0.000 0.748 178 E HN 0.304 nan 8.360 nan 0.000 0.449 179 S N 0.411 116.213 115.700 0.170 0.000 2.374 179 S HA -0.161 4.311 4.470 0.004 0.000 0.227 179 S C 1.737 176.477 174.600 0.234 0.000 1.037 179 S CA 1.212 59.586 58.200 0.290 0.000 1.024 179 S CB -0.074 63.294 63.200 0.281 0.000 0.861 179 S HN 0.184 nan 8.310 nan 0.000 0.456 180 M N 0.285 119.964 119.600 0.133 0.000 2.505 180 M HA 0.233 4.715 4.480 0.004 0.000 0.230 180 M C 1.245 177.714 176.300 0.280 0.000 1.153 180 M CA 0.564 55.946 55.300 0.137 0.000 0.997 180 M CB 0.356 32.979 32.600 0.038 0.000 1.606 180 M HN 0.554 nan 8.290 nan 0.000 0.481 181 G N 1.221 110.158 108.800 0.228 0.000 2.144 181 G HA2 -0.267 3.695 3.960 0.004 0.000 0.218 181 G HA3 -0.267 3.695 3.960 0.004 0.000 0.218 181 G C -0.357 174.663 174.900 0.200 0.000 0.988 181 G CA -0.577 44.662 45.100 0.232 0.000 0.659 181 G HN 0.462 nan 8.290 nan 0.000 0.522 182 F N 1.816 121.734 119.950 -0.053 0.000 2.427 182 F HA 0.657 5.187 4.527 0.004 0.000 0.346 182 F C 0.381 176.024 175.800 -0.262 0.000 1.120 182 F CA -1.258 56.543 58.000 -0.332 0.000 1.033 182 F CB 1.205 39.937 39.000 -0.447 0.000 1.126 182 F HN -0.031 nan 8.300 nan 0.000 0.462 183 K N 5.668 125.539 120.400 -0.880 0.000 2.285 183 K HA 0.220 4.542 4.320 0.004 0.000 0.286 183 K C -0.182 176.009 176.600 -0.681 0.000 1.072 183 K CA -0.269 55.670 56.287 -0.579 0.000 0.913 183 K CB 0.521 32.753 32.500 -0.447 0.000 1.067 183 K HN 0.834 nan 8.250 nan 0.000 0.479 184 T N 1.004 115.401 114.554 -0.262 0.000 2.849 184 T HA 0.129 4.481 4.350 0.004 0.000 0.284 184 T C 0.851 175.563 174.700 0.019 0.000 1.004 184 T CA -0.606 61.471 62.100 -0.038 0.000 1.021 184 T CB 0.559 69.510 68.868 0.138 0.000 1.013 184 T HN 0.507 nan 8.240 nan 0.000 0.527 185 F N 0.977 120.908 119.950 -0.033 0.000 2.558 185 F HA 0.410 4.939 4.527 0.004 0.000 0.298 185 F C 1.254 176.933 175.800 -0.201 0.000 1.119 185 F CA 0.948 58.873 58.000 -0.124 0.000 1.451 185 F CB -0.394 38.545 39.000 -0.102 0.000 1.091 185 F HN 1.216 nan 8.300 nan 0.000 0.563 186 G N -0.661 108.146 108.800 0.012 0.000 2.369 186 G HA2 0.285 4.247 3.960 0.004 0.000 0.293 186 G HA3 0.285 4.247 3.960 0.004 0.000 0.293 186 G C -2.076 173.040 174.900 0.360 0.000 1.301 186 G CA -0.523 44.563 45.100 -0.022 0.000 0.913 186 G HN 0.231 nan 8.290 nan 0.000 0.540 187 F N 0.126 120.193 119.950 0.195 0.000 2.639 187 F HA 0.746 5.275 4.527 0.005 0.000 0.320 187 F C -0.616 175.362 175.800 0.298 0.000 1.128 187 F CA 0.061 58.270 58.000 0.347 0.000 1.037 187 F CB 1.447 40.602 39.000 0.260 0.000 1.288 187 F HN 1.454 nan 8.300 nan 0.000 0.463 188 A N 3.595 126.142 122.820 -0.454 0.000 2.342 188 A HA 0.816 5.139 4.320 0.004 0.000 0.323 188 A C -0.120 176.771 177.584 -1.154 0.000 1.125 188 A CA -0.173 51.525 52.037 -0.565 0.000 0.785 188 A CB 0.975 19.697 19.000 -0.463 0.000 1.221 188 A HN 1.296 nan 8.150 nan 0.000 0.463 189 G N -0.408 107.924 108.800 -0.780 0.000 2.557 189 G HA2 0.553 4.516 3.960 0.004 0.000 0.292 189 G HA3 0.553 4.516 3.960 0.004 0.000 0.292 189 G C 0.869 175.327 174.900 -0.736 0.000 1.237 189 G CA -0.075 44.413 45.100 -1.020 0.000 0.978 189 G HN 2.182 nan 8.290 nan 0.000 0.498 190 G N -1.540 106.903 108.800 -0.595 0.000 2.227 190 G HA2 -0.188 3.775 3.960 0.004 0.000 0.168 190 G HA3 -0.188 3.775 3.960 0.004 0.000 0.168 190 G C 0.433 175.329 174.900 -0.006 0.000 1.006 190 G CA -0.295 44.686 45.100 -0.199 0.000 0.684 190 G HN 0.711 nan 8.290 nan 0.000 0.489 191 R N 1.280 121.734 120.500 -0.077 0.000 2.351 191 R HA 0.562 4.904 4.340 0.004 0.000 0.321 191 R C 0.896 177.077 176.300 -0.199 0.000 1.182 191 R CA 0.496 56.516 56.100 -0.132 0.000 1.011 191 R CB 0.728 30.917 30.300 -0.185 0.000 1.048 191 R HN 0.472 nan 8.270 nan 0.000 0.490 192 A N 3.149 125.883 122.820 -0.144 0.000 2.462 192 A HA 0.052 4.374 4.320 0.004 0.000 0.243 192 A C -0.045 177.373 177.584 -0.277 0.000 1.076 192 A CA -0.441 51.432 52.037 -0.273 0.000 0.773 192 A CB 0.307 19.313 19.000 0.010 0.000 1.010 192 A HN 0.543 nan 8.150 nan 0.000 0.493 193 D N 0.786 120.987 120.400 -0.332 0.000 2.382 193 D HA 0.392 5.034 4.640 0.004 0.000 0.240 193 D C 0.864 176.850 176.300 -0.523 0.000 1.146 193 D CA 0.927 54.681 54.000 -0.411 0.000 0.897 193 D CB 0.982 41.469 40.800 -0.521 0.000 1.197 193 D HN 0.702 nan 8.370 nan 0.000 0.432 194 T N -2.140 112.033 114.554 -0.633 0.000 2.927 194 T HA 0.538 4.890 4.350 0.004 0.000 0.286 194 T C 0.087 174.304 174.700 -0.804 0.000 1.040 194 T CA -0.796 60.957 62.100 -0.578 0.000 1.010 194 T CB 1.203 69.878 68.868 -0.323 0.000 1.177 194 T HN 0.542 nan 8.240 nan 0.000 0.546 195 W N 0.083 121.417 121.300 0.057 0.000 2.324 195 W HA 0.330 4.992 4.660 0.004 0.000 0.316 195 W C 0.474 176.746 176.519 -0.411 0.000 0.927 195 W CA -0.644 56.695 57.345 -0.009 0.000 1.438 195 W CB 0.676 30.175 29.460 0.066 0.000 1.085 195 W HN 0.971 nan 8.180 nan 0.000 0.532 196 E N -0.573 119.361 120.200 -0.443 0.000 2.430 196 E HA 0.420 4.772 4.350 0.004 0.000 0.279 196 E C -2.918 173.381 176.600 -0.502 0.000 1.003 196 E CA -2.581 53.461 56.400 -0.597 0.000 0.801 196 E CB 1.790 31.356 29.700 -0.223 0.000 1.313 196 E HN -0.381 nan 8.360 nan 0.000 0.459 197 P HA -0.027 nan 4.420 nan 0.000 0.265 197 P C -0.668 176.653 177.300 0.036 0.000 1.193 197 P CA 0.165 63.213 63.100 -0.086 0.000 0.765 197 P CB 0.497 32.187 31.700 -0.015 0.000 0.823 198 E N 2.376 122.650 120.200 0.123 0.000 2.383 198 E HA 0.016 4.368 4.350 0.004 0.000 0.264 198 E C -0.542 176.106 176.600 0.079 0.000 1.050 198 E CA -0.358 56.132 56.400 0.149 0.000 0.896 198 E CB 0.368 30.140 29.700 0.120 0.000 0.982 198 E HN 0.374 nan 8.360 nan 0.000 0.424 199 D N 3.744 124.163 120.400 0.032 0.000 2.393 199 D HA 0.192 4.835 4.640 0.004 0.000 0.232 199 D C -0.898 175.344 176.300 -0.096 0.000 1.192 199 D CA -0.028 53.961 54.000 -0.018 0.000 0.882 199 D CB 1.134 41.916 40.800 -0.029 0.000 1.038 199 D HN 0.064 nan 8.370 nan 0.000 0.499 200 V N 3.058 122.857 119.914 -0.192 0.000 2.709 200 V HA 0.106 4.228 4.120 0.004 0.000 0.308 200 V C -0.594 175.190 176.094 -0.517 0.000 1.062 200 V CA -1.111 60.882 62.300 -0.511 0.000 0.901 200 V CB 2.007 33.172 31.823 -1.096 0.000 1.003 200 V HN 0.367 nan 8.190 nan 0.000 0.425 201 Y N 3.021 123.032 120.300 -0.482 0.000 2.531 201 Y HA 0.258 4.810 4.550 0.004 0.000 0.347 201 Y C 0.211 175.918 175.900 -0.321 0.000 1.024 201 Y CA -0.706 57.216 58.100 -0.296 0.000 1.306 201 Y CB 0.632 38.980 38.460 -0.188 0.000 1.149 201 Y HN 0.774 nan 8.280 nan 0.000 0.527 202 W N 4.324 125.400 121.300 -0.372 0.000 3.220 202 W HA 0.479 5.141 4.660 0.004 0.000 0.328 202 W C 0.808 176.995 176.519 -0.553 0.000 1.205 202 W CA 0.476 57.650 57.345 -0.285 0.000 1.773 202 W CB 0.430 29.933 29.460 0.070 0.000 1.086 202 W HN 0.976 nan 8.180 nan 0.000 0.622 203 G N -0.549 107.653 108.800 -0.997 0.000 2.347 203 G HA2 -0.049 3.913 3.960 0.004 0.000 0.477 203 G HA3 -0.049 3.913 3.960 0.004 0.000 0.477 203 G C 0.009 174.691 174.900 -0.363 0.000 1.349 203 G CA -0.334 44.339 45.100 -0.711 0.000 1.000 203 G HN -0.212 nan 8.290 nan 0.000 0.605 204 S N -0.260 115.405 115.700 -0.058 0.000 2.539 204 S HA 0.242 4.715 4.470 0.004 0.000 0.221 204 S C 0.584 175.167 174.600 -0.029 0.000 0.987 204 S CA 0.245 58.477 58.200 0.054 0.000 0.929 204 S CB 0.328 63.617 63.200 0.149 0.000 0.832 204 S HN 0.606 nan 8.310 nan 0.000 0.492 205 E N 1.991 122.142 120.200 -0.081 0.000 2.415 205 E HA 0.115 4.467 4.350 0.004 0.000 0.262 205 E C 0.634 177.128 176.600 -0.176 0.000 1.038 205 E CA 0.229 56.564 56.400 -0.108 0.000 0.921 205 E CB 0.412 30.042 29.700 -0.116 0.000 0.950 205 E HN -0.095 nan 8.360 nan 0.000 0.438 206 K N 1.729 122.033 120.400 -0.159 0.000 2.387 206 K HA 0.303 4.626 4.320 0.004 0.000 0.203 206 K C -0.213 176.247 176.600 -0.232 0.000 1.030 206 K CA 0.057 56.226 56.287 -0.196 0.000 1.099 206 K CB 0.344 32.773 32.500 -0.117 0.000 0.863 206 K HN 0.433 nan 8.250 nan 0.000 0.529 207 I N 0.375 120.810 120.570 -0.225 0.000 2.447 207 I HA 0.257 4.429 4.170 0.004 0.000 0.287 207 I C -0.555 175.455 176.117 -0.179 0.000 1.023 207 I CA -1.045 60.154 61.300 -0.168 0.000 1.083 207 I CB 1.316 39.282 38.000 -0.055 0.000 1.245 207 I HN -0.050 nan 8.210 nan 0.000 0.434 208 W N 6.939 128.215 121.300 -0.040 0.000 2.343 208 W HA 0.129 4.791 4.660 0.004 0.000 0.337 208 W C 1.000 177.478 176.519 -0.068 0.000 1.320 208 W CA -0.045 57.258 57.345 -0.071 0.000 1.290 208 W CB 0.158 29.592 29.460 -0.043 0.000 1.206 208 W HN 0.470 nan 8.180 nan 0.000 0.565 209 L N 0.749 122.083 121.223 0.186 0.000 4.232 209 L HA -0.288 4.054 4.340 0.004 0.000 0.415 209 L C 0.760 177.662 176.870 0.054 0.000 1.168 209 L CA 0.301 55.192 54.840 0.085 0.000 0.966 209 L CB -1.692 40.418 42.059 0.085 0.000 2.052 209 L HN 0.579 nan 8.230 nan 0.000 0.887 210 E N 1.348 121.567 120.200 0.031 0.000 2.415 210 E HA 0.248 4.600 4.350 0.004 0.000 0.263 210 E C 0.357 176.980 176.600 0.039 0.000 0.995 210 E CA -0.275 56.139 56.400 0.025 0.000 0.915 210 E CB 0.601 30.300 29.700 -0.003 0.000 0.951 210 E HN 0.253 nan 8.360 nan 0.000 0.449 211 L N 2.781 124.029 121.223 0.042 0.000 2.472 211 L HA 0.089 4.431 4.340 0.004 0.000 0.260 211 L C 0.942 177.847 176.870 0.059 0.000 1.209 211 L CA -0.482 54.387 54.840 0.048 0.000 0.817 211 L CB 0.632 42.712 42.059 0.036 0.000 1.106 211 L HN 0.621 nan 8.230 nan 0.000 0.479 212 S N -0.320 115.419 115.700 0.065 0.000 2.584 212 S HA 0.420 4.893 4.470 0.004 0.000 0.270 212 S C 0.936 175.578 174.600 0.069 0.000 1.346 212 S CA -0.048 58.215 58.200 0.104 0.000 1.018 212 S CB 1.249 64.490 63.200 0.068 0.000 0.899 212 S HN 1.093 nan 8.310 nan 0.000 0.542 213 G N 0.438 109.290 108.800 0.087 0.000 2.175 213 G HA2 -0.075 3.887 3.960 0.004 0.000 0.244 213 G HA3 -0.075 3.887 3.960 0.004 0.000 0.244 213 G C 0.553 175.480 174.900 0.045 0.000 0.982 213 G CA 0.074 45.210 45.100 0.060 0.000 0.641 213 G HN 1.353 nan 8.290 nan 0.000 0.527 214 G N 0.351 109.177 108.800 0.044 0.000 2.611 214 G HA2 0.561 4.523 3.960 0.004 0.000 0.273 214 G HA3 0.561 4.523 3.960 0.004 0.000 0.273 214 G C -0.109 174.807 174.900 0.028 0.000 1.305 214 G CA 0.074 45.192 45.100 0.029 0.000 1.010 214 G HN 0.159 nan 8.290 nan 0.000 0.509 215 P HA -0.037 nan 4.420 nan 0.000 0.225 215 P C 0.357 177.669 177.300 0.020 0.000 1.148 215 P CA 0.837 63.946 63.100 0.016 0.000 0.779 215 P CB 0.342 32.046 31.700 0.007 0.000 0.780 216 N N -0.406 118.306 118.700 0.020 0.000 2.480 216 N HA 0.050 4.792 4.740 0.004 0.000 0.281 216 N C -0.199 175.333 175.510 0.036 0.000 1.381 216 N CA -0.038 53.027 53.050 0.026 0.000 0.903 216 N CB 0.479 38.972 38.487 0.010 0.000 1.274 216 N HN -0.027 nan 8.380 nan 0.000 0.505 217 S N 1.154 116.883 115.700 0.049 0.000 2.537 217 S HA 0.004 4.476 4.470 0.004 0.000 0.286 217 S C 1.540 176.176 174.600 0.060 0.000 1.299 217 S CA -0.313 57.931 58.200 0.073 0.000 1.067 217 S CB 0.612 63.870 63.200 0.096 0.000 0.864 217 S HN 0.457 nan 8.310 nan 0.000 0.494 218 R N 3.456 123.978 120.500 0.036 0.000 2.313 218 R HA 0.116 4.459 4.340 0.004 0.000 0.199 218 R C -0.553 175.616 176.300 -0.220 0.000 0.958 218 R CA 0.371 56.422 56.100 -0.081 0.000 1.047 218 R CB -0.153 30.055 30.300 -0.154 0.000 0.955 218 R HN 0.578 nan 8.270 nan 0.000 0.481 219 Y N 0.683 121.010 120.300 0.043 0.000 2.468 219 Y HA 0.420 4.972 4.550 0.004 0.000 0.342 219 Y C 0.208 176.132 175.900 0.039 0.000 1.021 219 Y CA -0.401 57.725 58.100 0.043 0.000 1.079 219 Y CB 2.277 40.762 38.460 0.041 0.000 1.226 219 Y HN 0.168 nan 8.280 nan 0.000 0.460 220 S N 0.353 116.179 115.700 0.210 0.000 2.656 220 S HA 0.838 5.310 4.470 0.004 0.000 0.273 220 S C -0.035 174.640 174.600 0.125 0.000 1.168 220 S CA -0.437 57.845 58.200 0.136 0.000 0.817 220 S CB 1.284 64.536 63.200 0.087 0.000 1.146 220 S HN 1.552 nan 8.310 nan 0.000 0.475 221 G N 1.420 110.271 108.800 0.086 0.000 2.574 221 G HA2 -0.240 3.722 3.960 0.004 0.000 0.282 221 G HA3 -0.240 3.722 3.960 0.004 0.000 0.282 221 G C -0.295 174.649 174.900 0.073 0.000 1.257 221 G CA 0.619 45.762 45.100 0.070 0.000 0.956 221 G HN 1.296 nan 8.290 nan 0.000 0.560 222 D N 1.126 121.567 120.400 0.067 0.000 2.600 222 D HA 0.323 4.966 4.640 0.004 0.000 0.226 222 D C 1.251 177.602 176.300 0.084 0.000 1.119 222 D CA 0.322 54.357 54.000 0.059 0.000 1.051 222 D CB -0.820 40.009 40.800 0.048 0.000 1.106 222 D HN 0.729 nan 8.370 nan 0.000 0.491 223 R N 1.599 122.158 120.500 0.097 0.000 3.251 223 R HA -0.188 4.154 4.340 0.004 0.000 0.249 223 R C -0.719 175.779 176.300 0.329 0.000 0.949 223 R CA 0.419 56.609 56.100 0.149 0.000 0.645 223 R CB -0.746 29.543 30.300 -0.019 0.000 1.065 223 R HN 0.450 nan 8.270 nan 0.000 0.452 224 Q N 1.289 121.272 119.800 0.304 0.000 2.322 224 Q HA 0.167 4.509 4.340 0.004 0.000 0.256 224 Q C -0.142 175.929 176.000 0.120 0.000 0.960 224 Q CA -0.615 55.309 55.803 0.202 0.000 0.934 224 Q CB 1.445 30.252 28.738 0.115 0.000 1.200 224 Q HN 0.251 nan 8.270 nan 0.000 0.435 225 L N 3.353 124.563 121.223 -0.023 0.000 2.331 225 L HA 0.120 4.463 4.340 0.004 0.000 0.278 225 L C 0.313 177.085 176.870 -0.163 0.000 1.106 225 L CA -0.012 54.606 54.840 -0.371 0.000 0.824 225 L CB 0.590 42.449 42.059 -0.334 0.000 1.142 225 L HN 0.528 nan 8.230 nan 0.000 0.443 226 E N 3.008 123.108 120.200 -0.166 0.000 2.415 226 E HA 0.066 4.418 4.350 0.004 0.000 0.263 226 E C -0.663 175.923 176.600 -0.023 0.000 0.995 226 E CA -0.121 56.249 56.400 -0.051 0.000 0.915 226 E CB 0.044 29.740 29.700 -0.007 0.000 0.951 226 E HN 0.664 nan 8.360 nan 0.000 0.449 227 N N 3.545 122.238 118.700 -0.011 0.000 2.518 227 N HA 0.075 4.818 4.740 0.004 0.000 0.266 227 N C -1.757 173.754 175.510 0.001 0.000 1.196 227 N CA -1.136 51.905 53.050 -0.015 0.000 0.947 227 N CB 0.735 39.203 38.487 -0.031 0.000 1.098 227 N HN 0.555 nan 8.380 nan 0.000 0.450 228 P HA 0.138 nan 4.420 nan 0.000 0.259 228 P C -0.722 176.574 177.300 -0.007 0.000 1.530 228 P CA 0.096 63.183 63.100 -0.022 0.000 1.022 228 P CB 0.283 31.949 31.700 -0.055 0.000 1.514 229 L N 0.358 121.593 121.223 0.019 0.000 2.417 229 L HA 0.454 4.796 4.340 0.004 0.000 0.268 229 L C 1.137 178.022 176.870 0.025 0.000 1.158 229 L CA -0.383 54.468 54.840 0.018 0.000 0.819 229 L CB 0.784 42.834 42.059 -0.015 0.000 1.112 229 L HN -0.037 nan 8.230 nan 0.000 0.458 230 A N 2.079 124.945 122.820 0.076 0.000 2.605 230 A HA 0.694 5.016 4.320 0.004 0.000 0.292 230 A C 0.094 177.787 177.584 0.182 0.000 1.055 230 A CA 0.113 52.222 52.037 0.120 0.000 0.969 230 A CB 0.383 19.457 19.000 0.123 0.000 1.236 230 A HN 0.693 nan 8.150 nan 0.000 0.534 231 A N -0.628 122.265 122.820 0.121 0.000 2.498 231 A HA 0.624 4.946 4.320 0.004 0.000 0.298 231 A C 0.827 178.470 177.584 0.099 0.000 1.075 231 A CA 0.205 52.312 52.037 0.116 0.000 0.714 231 A CB 0.909 19.916 19.000 0.012 0.000 1.299 231 A HN 1.154 nan 8.150 nan 0.000 0.407 232 V N -1.734 118.282 119.914 0.170 0.000 3.235 232 V HA 0.215 4.338 4.120 0.004 0.000 0.259 232 V C 0.368 176.599 176.094 0.228 0.000 1.133 232 V CA 1.230 63.707 62.300 0.295 0.000 1.128 232 V CB -0.994 31.021 31.823 0.319 0.000 0.757 232 V HN 0.722 nan 8.190 nan 0.000 0.469 233 Q N -0.212 119.635 119.800 0.079 0.000 2.418 233 Q HA 0.560 4.902 4.340 0.004 0.000 0.282 233 Q C -1.144 174.793 176.000 -0.105 0.000 1.044 233 Q CA -1.036 54.779 55.803 0.019 0.000 0.813 233 Q CB 2.355 31.111 28.738 0.030 0.000 1.428 233 Q HN 0.301 nan 8.270 nan 0.000 0.402 234 M N 1.315 120.845 119.600 -0.117 0.000 2.307 234 M HA 0.302 4.784 4.480 0.004 0.000 0.346 234 M C 0.723 176.878 176.300 -0.241 0.000 1.552 234 M CA 1.593 56.764 55.300 -0.215 0.000 1.116 234 M CB -0.646 31.837 32.600 -0.195 0.000 1.889 234 M HN 0.853 nan 8.290 nan 0.000 0.460 235 G N 3.810 112.140 108.800 -0.785 0.000 2.179 235 G HA2 -0.154 3.808 3.960 0.004 0.000 0.220 235 G HA3 -0.154 3.808 3.960 0.004 0.000 0.220 235 G C -0.224 174.211 174.900 -0.776 0.000 0.990 235 G CA 0.014 44.453 45.100 -1.101 0.000 0.646 235 G HN 0.674 nan 8.290 nan 0.000 0.517 236 L N 1.005 121.883 121.223 -0.575 0.000 2.375 236 L HA 0.492 4.834 4.340 0.004 0.000 0.268 236 L C 1.807 178.493 176.870 -0.307 0.000 1.058 236 L CA -1.424 53.240 54.840 -0.294 0.000 0.803 236 L CB 0.769 42.765 42.059 -0.106 0.000 1.212 236 L HN -0.147 nan 8.230 nan 0.000 0.451 237 I N 0.140 120.551 120.570 -0.265 0.000 2.206 237 I HA -0.159 4.013 4.170 0.004 0.000 0.239 237 I C 1.359 177.161 176.117 -0.524 0.000 1.078 237 I CA 2.050 63.049 61.300 -0.502 0.000 1.367 237 I CB -0.630 36.826 38.000 -0.906 0.000 1.078 237 I HN 0.635 nan 8.210 nan 0.000 0.413 238 Y N -0.380 119.972 120.300 0.086 0.000 3.183 238 Y HA 0.274 4.826 4.550 0.004 0.000 0.200 238 Y C 0.769 176.779 175.900 0.183 0.000 0.912 238 Y CA -0.272 57.919 58.100 0.151 0.000 1.642 238 Y CB 0.036 38.640 38.460 0.241 0.000 1.447 238 Y HN -0.103 nan 8.280 nan 0.000 0.421 239 V N -1.242 118.918 119.914 0.410 0.000 3.155 239 V HA 0.525 4.647 4.120 0.004 0.000 0.313 239 V C -0.868 175.366 176.094 0.232 0.000 1.162 239 V CA -1.164 61.316 62.300 0.300 0.000 1.048 239 V CB 1.766 33.774 31.823 0.309 0.000 1.092 239 V HN 0.281 nan 8.190 nan 0.000 0.447 240 N N 2.356 121.169 118.700 0.188 0.000 2.422 240 N HA 0.412 5.154 4.740 0.004 0.000 0.264 240 N C -1.609 174.010 175.510 0.182 0.000 1.063 240 N CA -1.995 51.150 53.050 0.158 0.000 0.959 240 N CB 1.665 40.227 38.487 0.125 0.000 1.087 240 N HN 0.601 nan 8.380 nan 0.000 0.483 241 P HA -0.059 nan 4.420 nan 0.000 0.226 241 P C 0.279 177.701 177.300 0.203 0.000 1.153 241 P CA 1.101 64.330 63.100 0.215 0.000 0.777 241 P CB 0.510 32.343 31.700 0.221 0.000 0.794 242 E N -0.329 119.979 120.200 0.182 0.000 2.371 242 E HA 0.240 4.592 4.350 0.004 0.000 0.194 242 E C 0.970 177.680 176.600 0.185 0.000 1.012 242 E CA 0.403 56.924 56.400 0.201 0.000 0.860 242 E CB -0.027 29.796 29.700 0.205 0.000 0.811 242 E HN 0.247 nan 8.360 nan 0.000 0.502 243 G N 1.339 110.233 108.800 0.157 0.000 2.381 243 G HA2 -0.098 3.865 3.960 0.004 0.000 0.672 243 G HA3 -0.098 3.865 3.960 0.004 0.000 0.672 243 G C -3.108 171.849 174.900 0.094 0.000 1.324 243 G CA -1.330 43.844 45.100 0.123 0.000 0.975 243 G HN -0.211 nan 8.290 nan 0.000 0.593 244 P HA 0.295 nan 4.420 nan 0.000 0.267 244 P C -0.130 177.178 177.300 0.014 0.000 1.209 244 P CA 0.648 63.764 63.100 0.027 0.000 0.763 244 P CB 0.371 32.065 31.700 -0.010 0.000 0.816 245 D N 3.204 123.613 120.400 0.015 0.000 2.792 245 D HA -0.207 4.436 4.640 0.004 0.000 0.231 245 D C 1.156 177.485 176.300 0.049 0.000 1.160 245 D CA 2.010 56.024 54.000 0.023 0.000 0.697 245 D CB -1.571 39.224 40.800 -0.008 0.000 1.070 245 D HN 0.811 nan 8.370 nan 0.000 0.426 246 G N -0.617 108.227 108.800 0.075 0.000 2.159 246 G HA2 -0.322 3.640 3.960 0.004 0.000 0.256 246 G HA3 -0.322 3.640 3.960 0.004 0.000 0.256 246 G C 0.036 175.003 174.900 0.111 0.000 0.977 246 G CA 0.145 45.315 45.100 0.117 0.000 0.652 246 G HN 0.410 nan 8.290 nan 0.000 0.531 247 N N 1.555 120.283 118.700 0.045 0.000 2.426 247 N HA 0.402 5.145 4.740 0.004 0.000 0.257 247 N C -2.541 172.953 175.510 -0.026 0.000 1.002 247 N CA -1.289 51.751 53.050 -0.018 0.000 0.942 247 N CB 1.977 40.459 38.487 -0.009 0.000 1.112 247 N HN 0.136 nan 8.380 nan 0.000 0.499 248 P HA 0.089 nan 4.420 nan 0.000 0.225 248 P C -0.846 176.547 177.300 0.155 0.000 1.813 248 P CA -0.111 62.998 63.100 0.015 0.000 1.013 248 P CB -0.113 31.474 31.700 -0.188 0.000 1.961 249 D N 2.797 123.257 120.400 0.100 0.000 2.460 249 D HA 0.233 4.876 4.640 0.004 0.000 0.232 249 D C -1.784 174.550 176.300 0.056 0.000 1.079 249 D CA -2.589 51.452 54.000 0.069 0.000 0.864 249 D CB 1.554 42.372 40.800 0.030 0.000 1.048 249 D HN -0.028 nan 8.370 nan 0.000 0.523 250 P HA -0.117 nan 4.420 nan 0.000 0.220 250 P C 1.508 178.840 177.300 0.054 0.000 1.148 250 P CA 0.463 63.565 63.100 0.004 0.000 0.803 250 P CB 0.501 32.143 31.700 -0.097 0.000 0.782 251 V N 0.183 120.120 119.914 0.039 0.000 2.323 251 V HA -0.189 3.933 4.120 0.004 0.000 0.244 251 V C 2.490 178.612 176.094 0.047 0.000 1.041 251 V CA 2.160 64.492 62.300 0.054 0.000 1.025 251 V CB -1.732 30.113 31.823 0.036 0.000 0.656 251 V HN 0.094 nan 8.190 nan 0.000 0.451 252 A N 0.073 122.915 122.820 0.037 0.000 1.930 252 A HA -0.039 4.283 4.320 0.004 0.000 0.217 252 A C 2.408 180.026 177.584 0.057 0.000 1.175 252 A CA 1.843 53.901 52.037 0.035 0.000 0.627 252 A CB -0.696 18.316 19.000 0.021 0.000 0.815 252 A HN 0.549 nan 8.150 nan 0.000 0.443 253 A N 0.032 122.896 122.820 0.073 0.000 1.933 253 A HA 0.140 4.462 4.320 0.004 0.000 0.218 253 A C 2.477 180.136 177.584 0.124 0.000 1.175 253 A CA 2.004 54.101 52.037 0.100 0.000 0.628 253 A CB -0.978 18.086 19.000 0.106 0.000 0.814 253 A HN 1.068 nan 8.150 nan 0.000 0.444 254 A N -0.377 122.520 122.820 0.129 0.000 1.940 254 A HA -0.199 4.123 4.320 0.004 0.000 0.219 254 A C 2.257 179.927 177.584 0.144 0.000 1.176 254 A CA 1.728 53.880 52.037 0.192 0.000 0.631 254 A CB -0.521 18.584 19.000 0.174 0.000 0.814 254 A HN 0.555 nan 8.150 nan 0.000 0.446 255 R N -0.422 120.129 120.500 0.086 0.000 2.081 255 R HA -0.167 4.175 4.340 0.004 0.000 0.235 255 R C 1.335 177.707 176.300 0.120 0.000 1.131 255 R CA 1.866 58.008 56.100 0.071 0.000 0.960 255 R CB -0.369 29.961 30.300 0.049 0.000 0.856 255 R HN 0.435 nan 8.270 nan 0.000 0.436 256 D N 0.450 120.933 120.400 0.138 0.000 2.117 256 D HA -0.129 4.514 4.640 0.004 0.000 0.197 256 D C 1.907 178.349 176.300 0.237 0.000 0.987 256 D CA 1.186 55.299 54.000 0.188 0.000 0.829 256 D CB -0.125 40.782 40.800 0.179 0.000 0.961 256 D HN 0.298 nan 8.370 nan 0.000 0.460 257 I N 0.329 121.036 120.570 0.227 0.000 2.179 257 I HA -0.241 3.931 4.170 0.004 0.000 0.242 257 I C 2.554 178.830 176.117 0.265 0.000 1.088 257 I CA 0.917 62.363 61.300 0.244 0.000 1.357 257 I CB -0.169 37.890 38.000 0.099 0.000 1.051 257 I HN -0.069 nan 8.210 nan 0.000 0.409 258 R N 0.871 121.517 120.500 0.242 0.000 2.081 258 R HA -0.245 4.097 4.340 0.004 0.000 0.235 258 R C 2.053 178.471 176.300 0.197 0.000 1.131 258 R CA 2.261 58.490 56.100 0.214 0.000 0.960 258 R CB -0.260 30.093 30.300 0.090 0.000 0.856 258 R HN 0.308 nan 8.270 nan 0.000 0.436 259 D N -0.579 119.932 120.400 0.185 0.000 2.084 259 D HA -0.137 4.506 4.640 0.004 0.000 0.196 259 D C 1.835 178.248 176.300 0.188 0.000 0.985 259 D CA 2.318 56.420 54.000 0.170 0.000 0.826 259 D CB -0.236 40.669 40.800 0.174 0.000 0.978 259 D HN 0.389 nan 8.370 nan 0.000 0.456 260 T N -1.968 112.728 114.554 0.238 0.000 2.737 260 T HA -0.142 4.211 4.350 0.004 0.000 0.265 260 T C 2.113 176.886 174.700 0.121 0.000 1.038 260 T CA 0.920 63.157 62.100 0.228 0.000 1.144 260 T CB -1.035 68.028 68.868 0.325 0.000 0.866 260 T HN 0.067 nan 8.240 nan 0.000 0.434 261 F N 2.470 122.378 119.950 -0.071 0.000 2.171 261 F HA 0.172 4.701 4.527 0.003 0.000 0.300 261 F C 2.952 178.742 175.800 -0.016 0.000 1.090 261 F CA 0.576 58.478 58.000 -0.162 0.000 1.293 261 F CB -0.973 37.923 39.000 -0.174 0.000 1.013 261 F HN 0.279 nan 8.300 nan 0.000 0.486 262 A N 0.043 122.979 122.820 0.194 0.000 1.933 262 A HA -0.196 4.126 4.320 0.004 0.000 0.218 262 A C 2.217 179.864 177.584 0.105 0.000 1.175 262 A CA 1.479 53.600 52.037 0.140 0.000 0.628 262 A CB -0.632 18.444 19.000 0.126 0.000 0.814 262 A HN 0.338 nan 8.150 nan 0.000 0.444 263 R N -0.960 119.596 120.500 0.094 0.000 2.316 263 R HA 0.139 4.481 4.340 0.004 0.000 0.202 263 R C 0.841 177.170 176.300 0.047 0.000 1.029 263 R CA 0.820 56.957 56.100 0.061 0.000 1.018 263 R CB -0.131 30.209 30.300 0.067 0.000 0.888 263 R HN 0.532 nan 8.270 nan 0.000 0.471 264 M N -0.697 118.953 119.600 0.084 0.000 2.484 264 M HA 0.300 4.782 4.480 0.004 0.000 0.307 264 M C 0.255 176.685 176.300 0.217 0.000 1.149 264 M CA -0.107 55.299 55.300 0.177 0.000 0.972 264 M CB 1.280 34.003 32.600 0.204 0.000 1.400 264 M HN 0.125 nan 8.290 nan 0.000 0.508 265 A N 0.431 123.345 122.820 0.156 0.000 3.031 265 A HA -0.128 4.195 4.320 0.004 0.000 0.244 265 A C -0.003 177.638 177.584 0.096 0.000 1.341 265 A CA 0.744 52.868 52.037 0.144 0.000 0.943 265 A CB -1.482 17.636 19.000 0.196 0.000 1.122 265 A HN 0.469 nan 8.150 nan 0.000 0.760 266 M N 0.809 120.481 119.600 0.119 0.000 2.364 266 M HA 0.429 4.912 4.480 0.004 0.000 0.334 266 M C 0.360 176.758 176.300 0.164 0.000 1.107 266 M CA -0.684 54.702 55.300 0.143 0.000 0.988 266 M CB 1.336 34.078 32.600 0.236 0.000 1.673 266 M HN 0.684 nan 8.290 nan 0.000 0.441 267 N N 0.949 119.733 118.700 0.141 0.000 2.476 267 N HA 0.247 4.989 4.740 0.004 0.000 0.287 267 N C 0.130 175.728 175.510 0.146 0.000 1.262 267 N CA -0.325 52.806 53.050 0.135 0.000 0.980 267 N CB 0.415 38.972 38.487 0.117 0.000 1.163 267 N HN 0.364 nan 8.380 nan 0.000 0.592 268 D N -0.645 119.845 120.400 0.150 0.000 2.104 268 D HA -0.197 4.446 4.640 0.004 0.000 0.194 268 D C 1.377 177.776 176.300 0.165 0.000 0.994 268 D CA 1.463 55.596 54.000 0.221 0.000 0.830 268 D CB -0.183 40.716 40.800 0.165 0.000 0.959 268 D HN 0.823 nan 8.370 nan 0.000 0.452 269 E N 0.512 120.793 120.200 0.136 0.000 2.072 269 E HA -0.188 4.165 4.350 0.004 0.000 0.191 269 E C 1.749 178.490 176.600 0.234 0.000 0.985 269 E CA 0.986 57.486 56.400 0.166 0.000 0.801 269 E CB 0.091 29.897 29.700 0.176 0.000 0.750 269 E HN 0.299 nan 8.360 nan 0.000 0.452 270 E N -0.301 120.007 120.200 0.181 0.000 2.077 270 E HA -0.148 4.205 4.350 0.004 0.000 0.193 270 E C 2.127 178.795 176.600 0.112 0.000 0.989 270 E CA 1.650 58.153 56.400 0.171 0.000 0.800 270 E CB -0.042 29.741 29.700 0.138 0.000 0.746 270 E HN 0.247 nan 8.360 nan 0.000 0.452 271 T N 0.780 115.341 114.554 0.013 0.000 2.674 271 T HA -0.139 4.213 4.350 0.004 0.000 0.265 271 T C 2.118 176.579 174.700 -0.398 0.000 1.039 271 T CA 1.212 63.129 62.100 -0.306 0.000 1.150 271 T CB -0.266 68.339 68.868 -0.439 0.000 0.864 271 T HN -0.026 nan 8.240 nan 0.000 0.427 272 V N 1.742 121.505 119.914 -0.251 0.000 2.295 272 V HA -0.184 3.939 4.120 0.004 0.000 0.246 272 V C 2.894 179.030 176.094 0.070 0.000 1.049 272 V CA 1.757 63.958 62.300 -0.165 0.000 1.024 272 V CB -1.246 30.571 31.823 -0.010 0.000 0.648 272 V HN 0.539 nan 8.190 nan 0.000 0.447 273 A N -0.398 122.604 122.820 0.303 0.000 1.902 273 A HA -0.171 4.152 4.320 0.004 0.000 0.217 273 A C 2.231 179.850 177.584 0.057 0.000 1.181 273 A CA 1.889 54.126 52.037 0.333 0.000 0.623 273 A CB -0.533 18.687 19.000 0.367 0.000 0.818 273 A HN 0.501 nan 8.150 nan 0.000 0.443 274 L N -0.798 120.436 121.223 0.018 0.000 2.056 274 L HA -0.144 4.198 4.340 0.004 0.000 0.207 274 L C 2.497 179.099 176.870 -0.447 0.000 1.078 274 L CA 1.222 56.029 54.840 -0.056 0.000 0.749 274 L CB -0.425 41.663 42.059 0.048 0.000 0.901 274 L HN 0.383 nan 8.230 nan 0.000 0.433 275 I N -0.377 119.855 120.570 -0.563 0.000 2.233 275 I HA -0.232 3.941 4.170 0.004 0.000 0.243 275 I C 2.774 178.220 176.117 -1.119 0.000 1.093 275 I CA 1.121 61.920 61.300 -0.835 0.000 1.380 275 I CB -0.457 37.105 38.000 -0.730 0.000 1.067 275 I HN 0.162 nan 8.210 nan 0.000 0.413 276 A N 0.937 123.132 122.820 -1.041 0.000 1.933 276 A HA -0.102 4.221 4.320 0.004 0.000 0.218 276 A C 2.413 179.330 177.584 -1.111 0.000 1.175 276 A CA 1.852 52.938 52.037 -1.585 0.000 0.628 276 A CB -1.400 16.831 19.000 -1.281 0.000 0.814 276 A HN 0.465 nan 8.150 nan 0.000 0.444 277 G N -0.503 107.748 108.800 -0.915 0.000 2.421 277 G HA2 0.036 3.999 3.960 0.004 0.000 0.216 277 G HA3 0.036 3.999 3.960 0.004 0.000 0.216 277 G C 1.559 175.834 174.900 -1.042 0.000 1.171 277 G CA 1.249 45.422 45.100 -1.545 0.000 0.775 277 G HN 0.688 nan 8.290 nan 0.000 0.543 278 G N -0.094 108.205 108.800 -0.835 0.000 2.446 278 G HA2 -0.203 3.759 3.960 0.004 0.000 0.217 278 G HA3 -0.203 3.759 3.960 0.004 0.000 0.217 278 G C 1.445 176.154 174.900 -0.319 0.000 1.168 278 G CA 0.899 45.784 45.100 -0.358 0.000 0.771 278 G HN 0.657 nan 8.290 nan 0.000 0.551 279 H N -0.194 118.327 119.070 -0.914 0.000 2.543 279 H HA 0.120 4.678 4.556 0.004 0.000 0.269 279 H C 2.061 176.870 175.328 -0.865 0.000 1.005 279 H CA 0.173 55.383 56.048 -1.396 0.000 1.146 279 H CB 0.376 28.933 29.762 -2.008 0.000 1.353 279 H HN 0.247 nan 8.280 nan 0.000 0.595 280 T N 0.400 114.587 114.554 -0.611 0.000 3.035 280 T HA -0.053 4.299 4.350 0.004 0.000 0.268 280 T C 0.083 174.419 174.700 -0.607 0.000 1.109 280 T CA 0.890 62.626 62.100 -0.606 0.000 1.119 280 T CB -0.040 68.302 68.868 -0.877 0.000 0.900 280 T HN 0.092 nan 8.240 nan 0.000 0.503 281 F N 0.077 120.008 119.950 -0.032 0.000 2.522 281 F HA 0.593 5.123 4.527 0.004 0.000 0.324 281 F C 1.225 177.165 175.800 0.233 0.000 1.077 281 F CA -0.541 57.493 58.000 0.057 0.000 0.944 281 F CB 1.354 40.373 39.000 0.032 0.000 1.175 281 F HN 0.215 nan 8.300 nan 0.000 0.468 282 G N 2.319 111.343 108.800 0.372 0.000 2.525 282 G HA2 -0.066 3.896 3.960 0.004 0.000 0.248 282 G HA3 -0.066 3.896 3.960 0.004 0.000 0.248 282 G C -1.020 174.132 174.900 0.420 0.000 1.238 282 G CA 0.020 45.369 45.100 0.414 0.000 0.926 282 G HN 1.096 nan 8.290 nan 0.000 0.574 283 K N -1.789 118.806 120.400 0.325 0.000 2.615 283 K HA 0.684 5.006 4.320 0.004 0.000 0.291 283 K C -0.200 176.234 176.600 -0.278 0.000 1.017 283 K CA -0.122 56.078 56.287 -0.146 0.000 0.882 283 K CB 1.144 33.571 32.500 -0.122 0.000 1.522 283 K HN 1.467 nan 8.250 nan 0.000 0.412 284 T N -1.319 112.913 114.554 -0.537 0.000 2.897 284 T HA 0.491 4.843 4.350 0.004 0.000 0.278 284 T C -0.725 173.582 174.700 -0.655 0.000 0.981 284 T CA -0.406 61.477 62.100 -0.362 0.000 0.973 284 T CB 0.645 69.368 68.868 -0.240 0.000 1.092 284 T HN 0.663 nan 8.240 nan 0.000 0.543 285 H N -1.192 117.859 119.070 -0.031 0.000 2.924 285 H HA 0.611 5.170 4.556 0.004 0.000 0.333 285 H C 0.267 175.569 175.328 -0.042 0.000 0.979 285 H CA -0.616 55.417 56.048 -0.024 0.000 1.326 285 H CB 1.614 31.400 29.762 0.039 0.000 1.600 285 H HN 1.062 nan 8.280 nan 0.000 0.520 286 G N 1.285 110.083 108.800 -0.004 0.000 4.677 286 G HA2 0.400 4.362 3.960 0.004 0.000 0.225 286 G HA3 0.400 4.362 3.960 0.004 0.000 0.225 286 G C 0.723 175.559 174.900 -0.108 0.000 0.876 286 G CA 0.108 45.176 45.100 -0.054 0.000 0.652 286 G HN 0.719 nan 8.290 nan 0.000 0.481 287 A N -0.349 122.416 122.820 -0.091 0.000 2.119 287 A HA 0.633 4.955 4.320 0.004 0.000 0.216 287 A C 1.387 178.746 177.584 -0.375 0.000 1.152 287 A CA 1.384 53.361 52.037 -0.101 0.000 0.708 287 A CB 0.147 19.197 19.000 0.082 0.000 0.805 287 A HN 1.315 nan 8.150 nan 0.000 0.460 288 G N -2.074 106.340 108.800 -0.643 0.000 2.663 288 G HA2 0.516 4.478 3.960 0.004 0.000 0.299 288 G HA3 0.516 4.478 3.960 0.004 0.000 0.299 288 G C -3.510 171.089 174.900 -0.503 0.000 1.372 288 G CA -1.209 43.296 45.100 -0.991 0.000 0.781 288 G HN -0.098 nan 8.290 nan 0.000 0.491 289 P HA 0.277 nan 4.420 nan 0.000 0.268 289 P C 0.755 177.982 177.300 -0.122 0.000 1.205 289 P CA 0.460 63.451 63.100 -0.181 0.000 0.771 289 P CB 1.258 32.890 31.700 -0.114 0.000 0.858 290 A N 2.805 125.580 122.820 -0.075 0.000 2.070 290 A HA -0.155 4.167 4.320 0.004 0.000 0.220 290 A C 2.049 179.636 177.584 0.005 0.000 1.159 290 A CA 1.853 53.873 52.037 -0.028 0.000 0.656 290 A CB -1.522 17.466 19.000 -0.020 0.000 0.800 290 A HN 0.602 nan 8.150 nan 0.000 0.453 291 S N 0.613 116.313 115.700 -0.001 0.000 2.440 291 S HA -0.176 4.296 4.470 0.004 0.000 0.238 291 S C 1.500 176.124 174.600 0.040 0.000 1.010 291 S CA 1.216 59.427 58.200 0.020 0.000 0.972 291 S CB -0.674 62.533 63.200 0.012 0.000 0.774 291 S HN 0.642 nan 8.310 nan 0.000 0.501 292 N N 1.219 119.947 118.700 0.046 0.000 2.459 292 N HA 0.038 4.781 4.740 0.004 0.000 0.181 292 N C -0.094 175.475 175.510 0.099 0.000 1.046 292 N CA 0.496 53.597 53.050 0.086 0.000 0.904 292 N CB -0.108 38.459 38.487 0.133 0.000 0.964 292 N HN 0.318 nan 8.380 nan 0.000 0.444 293 V N 1.356 121.328 119.914 0.096 0.000 2.432 293 V HA 0.298 4.420 4.120 0.004 0.000 0.271 293 V C 1.187 177.353 176.094 0.120 0.000 1.046 293 V CA -0.599 61.782 62.300 0.135 0.000 0.945 293 V CB 0.912 32.828 31.823 0.155 0.000 0.992 293 V HN 0.096 nan 8.190 nan 0.000 0.471 294 G N 3.312 112.174 108.800 0.103 0.000 2.494 294 G HA2 0.552 4.514 3.960 0.004 0.000 0.270 294 G HA3 0.552 4.514 3.960 0.004 0.000 0.270 294 G C 0.237 175.127 174.900 -0.018 0.000 1.423 294 G CA -0.177 44.948 45.100 0.042 0.000 1.055 294 G HN 1.067 nan 8.290 nan 0.000 0.536 295 A N 0.112 122.875 122.820 -0.096 0.000 2.511 295 A HA 0.397 4.720 4.320 0.004 0.000 0.242 295 A C 0.976 178.288 177.584 -0.454 0.000 1.069 295 A CA -0.096 51.825 52.037 -0.195 0.000 0.763 295 A CB -0.067 18.841 19.000 -0.153 0.000 1.001 295 A HN 0.713 nan 8.150 nan 0.000 0.498 296 E N 3.137 122.960 120.200 -0.629 0.000 2.425 296 E HA 0.033 4.385 4.350 0.004 0.000 0.258 296 E C -2.139 173.962 176.600 -0.832 0.000 1.151 296 E CA -1.086 54.584 56.400 -1.218 0.000 0.958 296 E CB -0.398 28.808 29.700 -0.822 0.000 0.968 296 E HN 0.342 nan 8.360 nan 0.000 0.451 297 P HA -0.172 nan 4.420 nan 0.000 0.216 297 P C 0.988 178.097 177.300 -0.319 0.000 1.153 297 P CA 1.432 64.216 63.100 -0.527 0.000 0.858 297 P CB 0.179 31.604 31.700 -0.459 0.000 0.789 298 E N -1.110 118.933 120.200 -0.261 0.000 2.347 298 E HA -0.016 4.336 4.350 0.004 0.000 0.196 298 E C 1.724 178.255 176.600 -0.115 0.000 1.008 298 E CA 0.887 57.203 56.400 -0.140 0.000 0.852 298 E CB -0.382 29.277 29.700 -0.068 0.000 0.783 298 E HN 0.217 nan 8.360 nan 0.000 0.505 299 A N 0.574 123.301 122.820 -0.154 0.000 2.252 299 A HA 0.415 4.737 4.320 0.004 0.000 0.213 299 A C 1.277 178.785 177.584 -0.126 0.000 1.188 299 A CA 0.392 52.360 52.037 -0.114 0.000 0.863 299 A CB 0.209 19.149 19.000 -0.100 0.000 0.893 299 A HN 0.144 nan 8.150 nan 0.000 0.495 300 A N 0.098 122.816 122.820 -0.171 0.000 2.332 300 A HA 0.539 4.861 4.320 0.004 0.000 0.258 300 A C 0.993 178.511 177.584 -0.110 0.000 1.087 300 A CA 0.162 52.107 52.037 -0.152 0.000 0.802 300 A CB -0.378 18.505 19.000 -0.196 0.000 1.042 300 A HN 0.842 nan 8.150 nan 0.000 0.489 301 G N -0.612 108.135 108.800 -0.089 0.000 2.614 301 G HA2 0.305 4.267 3.960 0.004 0.000 0.239 301 G HA3 0.305 4.267 3.960 0.004 0.000 0.239 301 G C 0.868 175.723 174.900 -0.076 0.000 1.240 301 G CA 0.082 45.140 45.100 -0.070 0.000 0.842 301 G HN 0.855 nan 8.290 nan 0.000 0.584 302 I N 0.143 120.674 120.570 -0.063 0.000 2.361 302 I HA -0.152 4.021 4.170 0.004 0.000 0.251 302 I C 2.799 178.874 176.117 -0.069 0.000 1.133 302 I CA 1.662 62.924 61.300 -0.065 0.000 1.413 302 I CB 0.003 37.972 38.000 -0.051 0.000 1.073 302 I HN 0.763 nan 8.210 nan 0.000 0.424 303 E N 1.267 121.430 120.200 -0.061 0.000 2.338 303 E HA -0.191 4.162 4.350 0.004 0.000 0.197 303 E C 1.832 178.387 176.600 -0.075 0.000 1.007 303 E CA 1.166 57.530 56.400 -0.060 0.000 0.849 303 E CB -0.384 29.289 29.700 -0.045 0.000 0.774 303 E HN 0.543 nan 8.360 nan 0.000 0.506 304 A N 1.013 123.781 122.820 -0.087 0.000 2.119 304 A HA -0.109 4.213 4.320 0.004 0.000 0.217 304 A C 0.891 178.395 177.584 -0.133 0.000 1.153 304 A CA 0.551 52.524 52.037 -0.107 0.000 0.692 304 A CB -0.192 18.737 19.000 -0.118 0.000 0.799 304 A HN 0.190 nan 8.150 nan 0.000 0.458 305 Q N -2.269 117.455 119.800 -0.127 0.000 2.439 305 Q HA -0.253 4.089 4.340 0.004 0.000 0.325 305 Q C 0.923 176.820 176.000 -0.171 0.000 1.372 305 Q CA 1.234 56.952 55.803 -0.142 0.000 0.909 305 Q CB -2.346 26.306 28.738 -0.143 0.000 1.167 305 Q HN 1.742 nan 8.270 nan 0.000 0.418 306 G N -1.555 107.144 108.800 -0.169 0.000 2.175 306 G HA2 -0.295 3.668 3.960 0.004 0.000 0.244 306 G HA3 -0.295 3.668 3.960 0.004 0.000 0.244 306 G C 0.209 174.986 174.900 -0.205 0.000 0.982 306 G CA 0.327 45.313 45.100 -0.189 0.000 0.641 306 G HN 0.326 nan 8.290 nan 0.000 0.527 307 L N -0.082 121.023 121.223 -0.196 0.000 2.365 307 L HA 0.833 5.175 4.340 0.004 0.000 0.267 307 L C 0.996 177.733 176.870 -0.223 0.000 1.033 307 L CA -0.350 54.379 54.840 -0.186 0.000 0.802 307 L CB 1.687 43.649 42.059 -0.162 0.000 1.267 307 L HN 0.317 nan 8.230 nan 0.000 0.457 308 G N -2.228 106.436 108.800 -0.226 0.000 2.749 308 G HA2 0.382 4.344 3.960 0.004 0.000 0.300 308 G HA3 0.382 4.344 3.960 0.004 0.000 0.300 308 G C -1.384 173.458 174.900 -0.098 0.000 1.352 308 G CA -0.479 44.396 45.100 -0.375 0.000 0.789 308 G HN 0.699 nan 8.290 nan 0.000 0.509 309 W N -0.003 121.246 121.300 -0.085 0.000 5.538 309 W HA -0.169 4.494 4.660 0.004 0.000 0.377 309 W C 0.752 177.262 176.519 -0.015 0.000 1.406 309 W CA 0.876 58.186 57.345 -0.059 0.000 0.940 309 W CB -1.139 28.270 29.460 -0.086 0.000 2.536 309 W HN 0.621 nan 8.180 nan 0.000 1.504 310 K N 1.598 122.074 120.400 0.126 0.000 2.451 310 K HA 0.211 4.533 4.320 0.004 0.000 0.280 310 K C 0.539 177.226 176.600 0.145 0.000 1.020 310 K CA 0.498 56.861 56.287 0.127 0.000 1.008 310 K CB 0.706 33.244 32.500 0.064 0.000 0.917 310 K HN -0.022 nan 8.250 nan 0.000 0.478 311 S N 2.865 118.669 115.700 0.174 0.000 2.472 311 S HA 0.508 4.980 4.470 0.004 0.000 0.303 311 S C 0.307 174.989 174.600 0.136 0.000 1.099 311 S CA -0.445 57.855 58.200 0.167 0.000 1.077 311 S CB 1.587 64.912 63.200 0.208 0.000 1.031 311 S HN 0.687 nan 8.310 nan 0.000 0.487 312 A N 3.963 126.859 122.820 0.126 0.000 2.275 312 A HA 0.228 4.550 4.320 0.004 0.000 0.212 312 A C 0.116 177.767 177.584 0.112 0.000 1.201 312 A CA -0.016 52.078 52.037 0.095 0.000 0.843 312 A CB -0.354 18.694 19.000 0.079 0.000 0.873 312 A HN 0.839 nan 8.150 nan 0.000 0.492 313 Y N 2.202 122.516 120.300 0.024 0.000 2.539 313 Y HA 0.387 4.939 4.550 0.004 0.000 0.352 313 Y C 0.976 176.871 175.900 -0.008 0.000 1.004 313 Y CA -0.605 57.500 58.100 0.007 0.000 1.278 313 Y CB -0.397 38.068 38.460 0.008 0.000 1.136 313 Y HN 0.545 nan 8.280 nan 0.000 0.528 314 R N 0.492 120.672 120.500 -0.533 0.000 3.853 314 R HA -0.334 4.008 4.340 0.004 0.000 0.440 314 R C 1.587 177.760 176.300 -0.211 0.000 0.241 314 R CA 2.398 58.232 56.100 -0.445 0.000 1.395 314 R CB -1.699 28.197 30.300 -0.673 0.000 0.984 314 R HN 0.755 nan 8.270 nan 0.000 0.570 315 T N -0.801 113.640 114.554 -0.187 0.000 3.072 315 T HA 0.158 4.511 4.350 0.004 0.000 0.266 315 T C 1.420 176.092 174.700 -0.047 0.000 1.127 315 T CA 1.476 63.509 62.100 -0.112 0.000 1.107 315 T CB 0.150 68.931 68.868 -0.145 0.000 0.910 315 T HN 1.297 nan 8.240 nan 0.000 0.513 316 G N 1.762 110.550 108.800 -0.019 0.000 2.159 316 G HA2 -0.242 3.720 3.960 0.004 0.000 0.256 316 G HA3 -0.242 3.720 3.960 0.004 0.000 0.256 316 G C -0.056 174.907 174.900 0.104 0.000 0.977 316 G CA 0.560 45.714 45.100 0.091 0.000 0.652 316 G HN 1.045 nan 8.290 nan 0.000 0.531 317 K N -2.314 118.028 120.400 -0.097 0.000 2.617 317 K HA 0.642 4.964 4.320 0.004 0.000 0.293 317 K C 1.098 177.352 176.600 -0.576 0.000 1.034 317 K CA -0.092 55.939 56.287 -0.427 0.000 0.884 317 K CB 0.903 33.225 32.500 -0.297 0.000 1.541 317 K HN 1.752 nan 8.250 nan 0.000 0.409 318 G N 0.722 109.012 108.800 -0.850 0.000 2.629 318 G HA2 -0.442 3.521 3.960 0.004 0.000 0.313 318 G HA3 -0.442 3.521 3.960 0.004 0.000 0.313 318 G C 1.105 175.497 174.900 -0.846 0.000 1.217 318 G CA 1.818 46.350 45.100 -0.946 0.000 0.994 318 G HN 1.363 nan 8.290 nan 0.000 0.549 319 A N -0.832 121.254 122.820 -1.224 0.000 2.032 319 A HA 0.032 4.354 4.320 0.004 0.000 0.221 319 A C 1.820 179.284 177.584 -0.200 0.000 1.165 319 A CA 2.597 54.313 52.037 -0.535 0.000 0.645 319 A CB -0.359 18.373 19.000 -0.447 0.000 0.807 319 A HN 0.618 nan 8.150 nan 0.000 0.453 320 D N -0.310 119.963 120.400 -0.212 0.000 2.349 320 D HA 0.336 4.978 4.640 0.004 0.000 0.214 320 D C 0.705 177.050 176.300 0.075 0.000 1.063 320 D CA 0.620 54.621 54.000 0.001 0.000 0.847 320 D CB -0.108 40.649 40.800 -0.072 0.000 0.933 320 D HN 0.435 nan 8.370 nan 0.000 0.513 321 A N 0.898 123.695 122.820 -0.038 0.000 2.531 321 A HA 0.303 4.626 4.320 0.004 0.000 0.236 321 A C 0.217 177.883 177.584 0.137 0.000 1.062 321 A CA 0.304 52.350 52.037 0.016 0.000 0.760 321 A CB 0.099 19.011 19.000 -0.148 0.000 0.995 321 A HN 0.175 nan 8.150 nan 0.000 0.501 322 I N 2.464 123.131 120.570 0.161 0.000 2.468 322 I HA 0.301 4.473 4.170 0.004 0.000 0.285 322 I C 0.511 176.685 176.117 0.095 0.000 1.039 322 I CA -0.202 61.162 61.300 0.108 0.000 1.074 322 I CB 2.235 40.264 38.000 0.050 0.000 1.228 322 I HN 0.777 nan 8.210 nan 0.000 0.436 323 T N 1.164 115.765 114.554 0.079 0.000 3.330 323 T HA -0.018 4.334 4.350 0.004 0.000 0.240 323 T C 1.534 176.202 174.700 -0.054 0.000 0.988 323 T CA 0.852 62.938 62.100 -0.023 0.000 1.253 323 T CB 0.121 69.010 68.868 0.034 0.000 1.163 323 T HN 0.618 nan 8.240 nan 0.000 0.382 324 S N 0.293 116.005 115.700 0.020 0.000 2.503 324 S HA 0.427 4.899 4.470 0.004 0.000 0.215 324 S C 1.893 176.491 174.600 -0.002 0.000 1.003 324 S CA 0.875 59.082 58.200 0.012 0.000 0.910 324 S CB 0.207 63.446 63.200 0.065 0.000 0.790 324 S HN 0.913 nan 8.310 nan 0.000 0.514 325 G N 0.754 109.548 108.800 -0.010 0.000 2.213 325 G HA2 -0.202 3.760 3.960 0.004 0.000 0.236 325 G HA3 -0.202 3.760 3.960 0.004 0.000 0.236 325 G C -0.111 174.757 174.900 -0.054 0.000 0.991 325 G CA 0.174 45.250 45.100 -0.040 0.000 0.629 325 G HN 0.507 nan 8.290 nan 0.000 0.517 326 L N 0.202 121.401 121.223 -0.040 0.000 2.360 326 L HA 0.769 5.112 4.340 0.004 0.000 0.271 326 L C 0.303 177.101 176.870 -0.120 0.000 1.057 326 L CA -0.794 54.005 54.840 -0.068 0.000 0.803 326 L CB 1.641 43.680 42.059 -0.034 0.000 1.207 326 L HN 0.099 nan 8.230 nan 0.000 0.445 327 E N 1.741 121.844 120.200 -0.161 0.000 2.675 327 E HA 0.464 4.816 4.350 0.004 0.000 0.236 327 E C -1.747 174.682 176.600 -0.284 0.000 1.059 327 E CA -0.184 56.082 56.400 -0.224 0.000 0.775 327 E CB 1.068 30.654 29.700 -0.189 0.000 1.356 327 E HN 0.238 nan 8.360 nan 0.000 0.403 328 V N 3.011 122.680 119.914 -0.408 0.000 2.577 328 V HA 0.556 4.679 4.120 0.004 0.000 0.303 328 V C -0.491 175.118 176.094 -0.809 0.000 1.042 328 V CA -0.717 61.251 62.300 -0.554 0.000 0.872 328 V CB 2.337 33.799 31.823 -0.601 0.000 0.998 328 V HN 0.565 nan 8.190 nan 0.000 0.423 329 T N 4.333 118.522 114.554 -0.609 0.000 2.809 329 T HA 0.312 4.665 4.350 0.004 0.000 0.284 329 T C 0.420 174.942 174.700 -0.296 0.000 0.992 329 T CA -0.420 61.404 62.100 -0.460 0.000 0.957 329 T CB 1.093 69.887 68.868 -0.122 0.000 0.942 329 T HN 0.716 nan 8.240 nan 0.000 0.439 330 W N 2.519 123.809 121.300 -0.018 0.000 2.494 330 W HA 0.044 4.707 4.660 0.005 0.000 0.286 330 W C 1.405 177.915 176.519 -0.014 0.000 1.218 330 W CA 0.487 57.829 57.345 -0.005 0.000 1.313 330 W CB -0.262 29.244 29.460 0.078 0.000 1.105 330 W HN 0.604 nan 8.180 nan 0.000 0.561 331 T N -3.515 111.149 114.554 0.184 0.000 2.907 331 T HA 0.280 4.632 4.350 0.004 0.000 0.290 331 T C 0.962 175.661 174.700 -0.002 0.000 1.066 331 T CA 0.065 62.203 62.100 0.063 0.000 1.012 331 T CB 2.193 71.051 68.868 -0.017 0.000 1.184 331 T HN -0.059 nan 8.240 nan 0.000 0.522 332 T N -1.649 112.898 114.554 -0.011 0.000 3.085 332 T HA 0.123 4.476 4.350 0.004 0.000 0.263 332 T C 0.964 175.621 174.700 -0.072 0.000 1.127 332 T CA 0.840 62.927 62.100 -0.021 0.000 1.103 332 T CB -0.786 68.083 68.868 0.003 0.000 0.921 332 T HN 1.049 nan 8.240 nan 0.000 0.510 333 T N -1.070 113.412 114.554 -0.119 0.000 3.418 333 T HA 0.483 4.835 4.350 0.004 0.000 0.315 333 T C -2.636 171.928 174.700 -0.226 0.000 1.447 333 T CA -1.416 60.589 62.100 -0.159 0.000 1.641 333 T CB 1.454 70.253 68.868 -0.115 0.000 0.904 333 T HN -0.098 nan 8.240 nan 0.000 0.640 334 P HA -0.026 nan 4.420 nan 0.000 0.228 334 P C 1.389 178.550 177.300 -0.232 0.000 1.151 334 P CA 0.925 63.790 63.100 -0.391 0.000 0.770 334 P CB -0.029 31.142 31.700 -0.882 0.000 0.786 335 T N -5.253 109.155 114.554 -0.244 0.000 3.176 335 T HA 0.269 4.621 4.350 0.004 0.000 0.263 335 T C 0.292 174.983 174.700 -0.015 0.000 1.021 335 T CA -0.300 61.715 62.100 -0.141 0.000 0.905 335 T CB -0.384 68.355 68.868 -0.215 0.000 1.057 335 T HN 0.063 nan 8.240 nan 0.000 0.558 336 Q N 0.474 120.308 119.800 0.057 0.000 2.315 336 Q HA 0.302 4.644 4.340 0.004 0.000 0.273 336 Q C -1.219 174.857 176.000 0.127 0.000 1.053 336 Q CA -0.934 54.953 55.803 0.141 0.000 0.817 336 Q CB 1.903 30.671 28.738 0.050 0.000 1.326 336 Q HN 0.526 nan 8.270 nan 0.000 0.423 337 W N 3.534 124.919 121.300 0.141 0.000 2.343 337 W HA 0.123 4.785 4.660 0.004 0.000 0.337 337 W C -0.568 175.883 176.519 -0.113 0.000 1.320 337 W CA 1.299 58.646 57.345 0.005 0.000 1.290 337 W CB 0.618 30.237 29.460 0.266 0.000 1.206 337 W HN 0.775 nan 8.180 nan 0.000 0.565 338 S N 3.528 118.580 115.700 -1.081 0.000 2.688 338 S HA 0.345 4.817 4.470 0.004 0.000 0.275 338 S C -0.785 173.242 174.600 -0.954 0.000 1.175 338 S CA -0.884 56.787 58.200 -0.881 0.000 0.818 338 S CB 1.684 64.608 63.200 -0.460 0.000 1.157 338 S HN 0.610 nan 8.310 nan 0.000 0.482 339 H N 0.306 119.171 119.070 -0.341 0.000 2.488 339 H HA 0.418 4.976 4.556 0.004 0.000 0.294 339 H C 1.363 176.689 175.328 -0.004 0.000 1.088 339 H CA -0.276 55.713 56.048 -0.098 0.000 1.086 339 H CB -0.007 29.792 29.762 0.061 0.000 1.569 339 H HN 0.631 nan 8.280 nan 0.000 0.548 340 N N 0.511 119.198 118.700 -0.021 0.000 2.416 340 N HA -0.118 4.624 4.740 0.004 0.000 0.177 340 N C 1.441 176.965 175.510 0.023 0.000 1.036 340 N CA 0.136 53.197 53.050 0.018 0.000 0.901 340 N CB 0.142 38.612 38.487 -0.029 0.000 0.976 340 N HN 0.253 nan 8.380 nan 0.000 0.444 341 F N 1.107 120.944 119.950 -0.188 0.000 2.046 341 F HA -0.166 4.363 4.527 0.004 0.000 0.297 341 F C 1.624 177.255 175.800 -0.282 0.000 1.123 341 F CA 1.757 59.576 58.000 -0.302 0.000 1.199 341 F CB -0.544 38.108 39.000 -0.580 0.000 0.972 341 F HN -0.030 nan 8.300 nan 0.000 0.474 342 F N 0.462 120.417 119.950 0.008 0.000 2.259 342 F HA -0.105 4.424 4.527 0.004 0.000 0.298 342 F C 2.341 177.964 175.800 -0.295 0.000 1.088 342 F CA 1.037 58.943 58.000 -0.157 0.000 1.358 342 F CB -0.517 38.483 39.000 -0.000 0.000 1.040 342 F HN 0.003 nan 8.300 nan 0.000 0.505 343 E N 0.454 120.677 120.200 0.039 0.000 2.070 343 E HA -0.242 4.110 4.350 0.004 0.000 0.197 343 E C 1.820 178.406 176.600 -0.024 0.000 1.004 343 E CA 1.538 57.953 56.400 0.025 0.000 0.805 343 E CB -0.217 29.561 29.700 0.130 0.000 0.744 343 E HN 0.356 nan 8.360 nan 0.000 0.451 344 N N 0.603 119.317 118.700 0.024 0.000 2.142 344 N HA -0.130 4.612 4.740 0.004 0.000 0.186 344 N C 1.836 177.515 175.510 0.282 0.000 1.023 344 N CA 0.557 53.738 53.050 0.217 0.000 0.852 344 N CB -0.418 38.236 38.487 0.278 0.000 0.998 344 N HN 0.060 nan 8.380 nan 0.000 0.424 345 L N 0.092 121.264 121.223 -0.085 0.000 2.013 345 L HA -0.069 4.273 4.340 0.004 0.000 0.212 345 L C 1.659 178.462 176.870 -0.110 0.000 1.073 345 L CA 1.680 56.380 54.840 -0.232 0.000 0.753 345 L CB -0.628 40.994 42.059 -0.728 0.000 0.890 345 L HN 0.079 nan 8.230 nan 0.000 0.432 346 F N -1.539 118.381 119.950 -0.050 0.000 2.619 346 F HA 0.169 4.698 4.527 0.004 0.000 0.293 346 F C 2.248 177.980 175.800 -0.113 0.000 1.119 346 F CA 0.486 58.424 58.000 -0.103 0.000 1.445 346 F CB -0.437 38.424 39.000 -0.231 0.000 1.119 346 F HN 0.150 nan 8.300 nan 0.000 0.573 347 G N -1.249 107.528 108.800 -0.037 0.000 2.712 347 G HA2 -0.009 3.953 3.960 0.004 0.000 0.212 347 G HA3 -0.009 3.953 3.960 0.004 0.000 0.212 347 G C -0.157 174.395 174.900 -0.580 0.000 1.142 347 G CA 0.286 45.199 45.100 -0.311 0.000 0.789 347 G HN 0.243 nan 8.290 nan 0.000 0.535 348 Y N -0.390 119.795 120.300 -0.192 0.000 2.562 348 Y HA 0.539 5.091 4.550 0.004 0.000 0.343 348 Y C -0.048 175.540 175.900 -0.521 0.000 1.025 348 Y CA -1.377 56.450 58.100 -0.456 0.000 1.082 348 Y CB 1.496 39.431 38.460 -0.874 0.000 1.264 348 Y HN -0.181 nan 8.280 nan 0.000 0.478 349 E N 0.797 120.842 120.200 -0.258 0.000 2.283 349 E HA 0.188 4.541 4.350 0.004 0.000 0.271 349 E C -1.571 174.813 176.600 -0.359 0.000 1.031 349 E CA -0.505 55.788 56.400 -0.178 0.000 0.868 349 E CB 1.168 30.866 29.700 -0.002 0.000 1.094 349 E HN 0.555 nan 8.360 nan 0.000 0.401 350 W N 0.645 122.051 121.300 0.176 0.000 2.666 350 W HA 0.353 5.016 4.660 0.004 0.000 0.334 350 W C 0.271 177.004 176.519 0.357 0.000 1.051 350 W CA -0.657 56.825 57.345 0.229 0.000 1.224 350 W CB 1.387 30.939 29.460 0.152 0.000 1.405 350 W HN 0.373 nan 8.180 nan 0.000 0.513 351 E N 2.547 123.107 120.200 0.601 0.000 2.210 351 E HA 0.398 4.751 4.350 0.004 0.000 0.266 351 E C -1.430 175.283 176.600 0.188 0.000 0.883 351 E CA -1.090 55.523 56.400 0.356 0.000 0.761 351 E CB 1.479 31.272 29.700 0.155 0.000 1.156 351 E HN 0.447 nan 8.360 nan 0.000 0.412 352 L N 4.026 125.109 121.223 -0.234 0.000 2.410 352 L HA 0.344 4.686 4.340 0.004 0.000 0.273 352 L C -0.196 176.458 176.870 -0.360 0.000 1.152 352 L CA 1.025 55.380 54.840 -0.808 0.000 0.855 352 L CB 1.186 42.693 42.059 -0.920 0.000 1.129 352 L HN 0.693 nan 8.230 nan 0.000 0.463 353 T N 3.941 118.295 114.554 -0.334 0.000 2.647 353 T HA 0.544 4.896 4.350 0.004 0.000 0.295 353 T C -1.252 173.360 174.700 -0.146 0.000 1.126 353 T CA -0.714 61.286 62.100 -0.166 0.000 1.040 353 T CB 1.058 69.871 68.868 -0.091 0.000 1.472 353 T HN 0.616 nan 8.240 nan 0.000 0.500 354 K N 1.161 121.495 120.400 -0.110 0.000 2.422 354 K HA 0.585 4.908 4.320 0.004 0.000 0.251 354 K C -0.342 176.194 176.600 -0.106 0.000 0.933 354 K CA -0.784 55.431 56.287 -0.120 0.000 0.798 354 K CB 1.990 34.414 32.500 -0.128 0.000 1.238 354 K HN 0.761 nan 8.250 nan 0.000 0.428 355 S N 1.107 116.739 115.700 -0.114 0.000 2.617 355 S HA 0.199 4.672 4.470 0.004 0.000 0.259 355 S C -1.830 172.704 174.600 -0.110 0.000 1.301 355 S CA -0.898 57.237 58.200 -0.109 0.000 0.984 355 S CB 0.569 63.703 63.200 -0.110 0.000 0.954 355 S HN 0.351 nan 8.310 nan 0.000 0.572 356 P HA 0.077 nan 4.420 nan 0.000 0.225 356 P C 0.889 178.101 177.300 -0.146 0.000 1.148 356 P CA 1.310 64.339 63.100 -0.119 0.000 0.779 356 P CB -0.199 31.427 31.700 -0.124 0.000 0.780 357 A N -1.129 121.603 122.820 -0.146 0.000 2.275 357 A HA 0.482 4.804 4.320 0.004 0.000 0.212 357 A C 1.650 179.160 177.584 -0.123 0.000 1.201 357 A CA 0.717 52.669 52.037 -0.142 0.000 0.843 357 A CB -0.936 17.988 19.000 -0.127 0.000 0.873 357 A HN 0.234 nan 8.150 nan 0.000 0.492 358 G N -2.087 106.635 108.800 -0.130 0.000 2.159 358 G HA2 0.135 4.097 3.960 0.004 0.000 0.227 358 G HA3 0.135 4.097 3.960 0.004 0.000 0.227 358 G C 0.340 175.113 174.900 -0.212 0.000 0.986 358 G CA 0.182 45.191 45.100 -0.151 0.000 0.651 358 G HN 1.514 nan 8.290 nan 0.000 0.523 359 A N 0.673 123.384 122.820 -0.182 0.000 2.316 359 A HA 0.676 4.999 4.320 0.004 0.000 0.284 359 A C 0.381 177.843 177.584 -0.204 0.000 1.115 359 A CA -0.515 51.405 52.037 -0.194 0.000 0.812 359 A CB 0.302 19.246 19.000 -0.093 0.000 1.064 359 A HN 0.414 nan 8.150 nan 0.000 0.489 360 H N 1.658 120.682 119.070 -0.077 0.000 2.803 360 H HA 0.289 4.847 4.556 0.004 0.000 0.330 360 H C 0.366 175.618 175.328 -0.128 0.000 1.057 360 H CA 0.835 56.800 56.048 -0.139 0.000 1.458 360 H CB 0.559 30.248 29.762 -0.121 0.000 1.470 360 H HN 0.794 nan 8.280 nan 0.000 0.560 361 Q N 1.860 121.597 119.800 -0.105 0.000 2.814 361 Q HA 0.432 4.774 4.340 0.004 0.000 0.322 361 Q C -1.657 174.180 176.000 -0.271 0.000 0.861 361 Q CA -1.105 54.660 55.803 -0.063 0.000 0.773 361 Q CB 1.741 30.480 28.738 0.002 0.000 1.423 361 Q HN 0.397 nan 8.270 nan 0.000 0.495 362 W N 0.285 121.596 121.300 0.019 0.000 2.819 362 W HA 0.735 5.398 4.660 0.004 0.000 0.337 362 W C -1.086 175.552 176.519 0.199 0.000 1.077 362 W CA -0.759 56.647 57.345 0.101 0.000 1.226 362 W CB 2.140 31.640 29.460 0.066 0.000 1.419 362 W HN 0.489 nan 8.180 nan 0.000 0.502 363 V N 2.485 122.695 119.914 0.493 0.000 2.823 363 V HA 0.833 4.956 4.120 0.004 0.000 0.312 363 V C -0.442 175.808 176.094 0.260 0.000 1.072 363 V CA -1.167 61.339 62.300 0.342 0.000 0.937 363 V CB 1.665 33.556 31.823 0.113 0.000 1.013 363 V HN 0.683 nan 8.190 nan 0.000 0.430 364 A N 5.784 128.535 122.820 -0.115 0.000 2.451 364 A HA 0.371 4.694 4.320 0.004 0.000 0.266 364 A C 0.296 177.653 177.584 -0.378 0.000 1.119 364 A CA -0.078 51.532 52.037 -0.711 0.000 0.786 364 A CB -0.267 17.951 19.000 -1.304 0.000 1.061 364 A HN 0.822 nan 8.150 nan 0.000 0.503 365 K N 1.751 121.987 120.400 -0.274 0.000 2.447 365 K HA 0.287 4.610 4.320 0.004 0.000 0.281 365 K C 1.251 177.791 176.600 -0.099 0.000 1.031 365 K CA 0.994 57.209 56.287 -0.120 0.000 1.019 365 K CB 0.323 32.786 32.500 -0.061 0.000 0.918 365 K HN 1.344 nan 8.250 nan 0.000 0.476 366 G N 1.632 110.391 108.800 -0.067 0.000 2.175 366 G HA2 -0.345 3.617 3.960 0.004 0.000 0.265 366 G HA3 -0.345 3.617 3.960 0.004 0.000 0.265 366 G C 0.261 175.142 174.900 -0.032 0.000 0.979 366 G CA 0.373 45.453 45.100 -0.034 0.000 0.663 366 G HN 0.826 nan 8.290 nan 0.000 0.533 367 A N -0.198 122.556 122.820 -0.109 0.000 2.351 367 A HA 0.576 4.898 4.320 0.004 0.000 0.257 367 A C 0.413 177.954 177.584 -0.072 0.000 1.087 367 A CA 0.031 51.993 52.037 -0.125 0.000 0.798 367 A CB 0.476 19.172 19.000 -0.507 0.000 1.033 367 A HN 0.267 nan 8.150 nan 0.000 0.488 368 D N 0.345 120.733 120.400 -0.020 0.000 2.383 368 D HA 0.428 5.070 4.640 0.004 0.000 0.248 368 D C 0.275 176.556 176.300 -0.031 0.000 1.170 368 D CA 0.411 54.401 54.000 -0.017 0.000 0.977 368 D CB 1.106 41.911 40.800 0.008 0.000 1.120 368 D HN 0.606 nan 8.370 nan 0.000 0.481 369 A N 0.839 123.642 122.820 -0.029 0.000 2.539 369 A HA 0.313 4.635 4.320 0.004 0.000 0.306 369 A C 0.963 178.534 177.584 -0.022 0.000 1.392 369 A CA -0.430 51.586 52.037 -0.035 0.000 1.060 369 A CB -0.547 18.415 19.000 -0.063 0.000 1.134 369 A HN 0.384 nan 8.150 nan 0.000 0.542 370 V N 0.852 120.766 119.914 0.000 0.000 3.604 370 V HA 0.349 4.472 4.120 0.004 0.000 0.277 370 V C 0.315 176.428 176.094 0.031 0.000 1.399 370 V CA -0.071 62.240 62.300 0.018 0.000 1.034 370 V CB -0.357 31.490 31.823 0.041 0.000 0.824 370 V HN 0.538 nan 8.190 nan 0.000 0.439 371 I N 4.175 124.776 120.570 0.051 0.000 2.371 371 I HA 0.451 4.623 4.170 0.004 0.000 0.290 371 I C -2.337 173.856 176.117 0.126 0.000 1.028 371 I CA -2.401 58.950 61.300 0.085 0.000 1.345 371 I CB 1.015 39.079 38.000 0.106 0.000 1.407 371 I HN 0.139 nan 8.210 nan 0.000 0.501 372 P HA 0.093 nan 4.420 nan 0.000 0.272 372 P C -0.567 176.937 177.300 0.339 0.000 1.223 372 P CA -0.219 62.990 63.100 0.181 0.000 0.784 372 P CB 0.896 32.697 31.700 0.169 0.000 0.923 373 D N 0.683 121.230 120.400 0.245 0.000 2.341 373 D HA 0.289 4.931 4.640 0.004 0.000 0.245 373 D C 1.304 177.608 176.300 0.008 0.000 1.106 373 D CA -0.275 53.863 54.000 0.231 0.000 0.905 373 D CB 0.736 41.633 40.800 0.161 0.000 1.202 373 D HN 0.286 nan 8.370 nan 0.000 0.426 374 A N 2.441 125.046 122.820 -0.359 0.000 2.066 374 A HA -0.009 4.314 4.320 0.004 0.000 0.218 374 A C 1.144 178.067 177.584 -1.102 0.000 1.157 374 A CA 0.971 52.279 52.037 -1.214 0.000 0.670 374 A CB -0.340 17.888 19.000 -1.287 0.000 0.804 374 A HN 0.643 nan 8.150 nan 0.000 0.453 375 F N -1.750 118.066 119.950 -0.223 0.000 2.815 375 F HA 0.247 4.776 4.527 0.004 0.000 0.328 375 F C 0.138 175.893 175.800 -0.076 0.000 0.982 375 F CA -0.548 57.364 58.000 -0.147 0.000 1.154 375 F CB 0.697 39.606 39.000 -0.151 0.000 0.980 375 F HN 0.030 nan 8.300 nan 0.000 0.603 376 D N 1.553 122.011 120.400 0.096 0.000 2.414 376 D HA 0.277 4.920 4.640 0.004 0.000 0.232 376 D C -2.131 174.184 176.300 0.025 0.000 1.070 376 D CA -2.404 51.631 54.000 0.057 0.000 0.839 376 D CB 1.880 42.712 40.800 0.054 0.000 1.079 376 D HN -0.097 nan 8.370 nan 0.000 0.521 377 P HA -0.110 nan 4.420 nan 0.000 0.221 377 P C 1.100 178.398 177.300 -0.003 0.000 1.145 377 P CA 0.844 63.949 63.100 0.009 0.000 0.795 377 P CB 0.201 31.906 31.700 0.008 0.000 0.775 378 S N -2.350 113.345 115.700 -0.008 0.000 2.603 378 S HA 0.076 4.549 4.470 0.004 0.000 0.220 378 S C 0.725 175.298 174.600 -0.046 0.000 0.967 378 S CA 0.098 58.285 58.200 -0.021 0.000 0.920 378 S CB -0.520 62.670 63.200 -0.016 0.000 0.773 378 S HN 0.051 nan 8.310 nan 0.000 0.529 379 K N 1.133 121.497 120.400 -0.061 0.000 2.292 379 K HA 0.519 4.841 4.320 0.004 0.000 0.257 379 K C -0.676 175.794 176.600 -0.218 0.000 0.940 379 K CA -0.585 55.615 56.287 -0.144 0.000 0.811 379 K CB 1.700 34.122 32.500 -0.131 0.000 1.120 379 K HN 0.109 nan 8.250 nan 0.000 0.428 380 K N 1.616 121.828 120.400 -0.314 0.000 2.400 380 K HA 0.475 4.797 4.320 0.004 0.000 0.246 380 K C -0.744 175.535 176.600 -0.535 0.000 0.995 380 K CA -0.973 55.126 56.287 -0.314 0.000 0.840 380 K CB 1.912 34.341 32.500 -0.119 0.000 1.293 380 K HN 0.557 nan 8.250 nan 0.000 0.445 381 H N 0.781 119.849 119.070 -0.004 0.000 2.865 381 H HA 0.332 4.891 4.556 0.004 0.000 0.372 381 H C -0.313 174.993 175.328 -0.036 0.000 1.173 381 H CA -0.795 55.240 56.048 -0.021 0.000 1.147 381 H CB 1.678 31.428 29.762 -0.021 0.000 1.805 381 H HN 0.308 nan 8.280 nan 0.000 0.553 382 R N 1.348 121.892 120.500 0.073 0.000 2.594 382 R HA 0.187 4.530 4.340 0.004 0.000 0.272 382 R C -2.269 174.016 176.300 -0.025 0.000 1.074 382 R CA -1.455 54.628 56.100 -0.029 0.000 1.105 382 R CB -0.055 30.206 30.300 -0.065 0.000 1.008 382 R HN 0.299 nan 8.270 nan 0.000 0.472 383 P HA -0.007 nan 4.420 nan 0.000 0.266 383 P C -0.742 176.647 177.300 0.149 0.000 1.195 383 P CA 0.208 63.308 63.100 0.000 0.000 0.768 383 P CB 0.807 32.462 31.700 -0.076 0.000 0.838 384 T N -0.239 114.407 114.554 0.153 0.000 2.883 384 T HA 0.835 5.187 4.350 0.004 0.000 0.296 384 T C -0.617 174.047 174.700 -0.061 0.000 1.117 384 T CA -0.843 61.338 62.100 0.136 0.000 1.006 384 T CB 1.213 70.059 68.868 -0.037 0.000 1.191 384 T HN 0.123 nan 8.240 nan 0.000 0.508 385 M N 1.488 121.006 119.600 -0.138 0.000 2.520 385 M HA 0.464 4.946 4.480 0.004 0.000 0.283 385 M C -1.187 175.136 176.300 0.038 0.000 1.237 385 M CA -0.684 54.491 55.300 -0.208 0.000 0.885 385 M CB 2.332 34.434 32.600 -0.830 0.000 1.727 385 M HN 0.680 nan 8.290 nan 0.000 0.468 386 L N 0.657 121.971 121.223 0.153 0.000 2.421 386 L HA 0.360 4.702 4.340 0.004 0.000 0.263 386 L C 1.536 178.518 176.870 0.186 0.000 1.122 386 L CA -0.237 54.748 54.840 0.240 0.000 0.804 386 L CB 0.693 42.923 42.059 0.285 0.000 1.150 386 L HN 0.785 nan 8.230 nan 0.000 0.457 387 T N -0.572 114.186 114.554 0.340 0.000 2.653 387 T HA -0.221 4.132 4.350 0.004 0.000 0.268 387 T C 1.766 176.499 174.700 0.054 0.000 1.035 387 T CA 2.300 64.540 62.100 0.235 0.000 1.154 387 T CB -0.312 68.777 68.868 0.370 0.000 0.862 387 T HN 0.931 nan 8.240 nan 0.000 0.441 388 T N 0.400 115.028 114.554 0.124 0.000 2.962 388 T HA -0.097 4.255 4.350 0.004 0.000 0.270 388 T C 1.457 176.177 174.700 0.034 0.000 1.088 388 T CA 1.068 63.225 62.100 0.095 0.000 1.127 388 T CB -0.277 68.685 68.868 0.157 0.000 0.883 388 T HN 0.283 nan 8.240 nan 0.000 0.493 389 D N 1.678 122.113 120.400 0.057 0.000 2.103 389 D HA 0.051 4.693 4.640 0.004 0.000 0.199 389 D C 2.202 178.412 176.300 -0.149 0.000 0.978 389 D CA 0.742 54.761 54.000 0.032 0.000 0.829 389 D CB -0.270 40.602 40.800 0.119 0.000 0.981 389 D HN 0.357 nan 8.370 nan 0.000 0.464 390 L N 1.124 122.183 121.223 -0.274 0.000 2.187 390 L HA -0.143 4.199 4.340 0.004 0.000 0.213 390 L C 2.399 179.229 176.870 -0.068 0.000 1.100 390 L CA 0.621 55.286 54.840 -0.293 0.000 0.765 390 L CB -0.454 41.313 42.059 -0.486 0.000 0.904 390 L HN -0.053 nan 8.230 nan 0.000 0.437 391 S N 0.434 116.117 115.700 -0.030 0.000 2.402 391 S HA -0.177 4.296 4.470 0.004 0.000 0.233 391 S C 1.897 176.544 174.600 0.078 0.000 1.030 391 S CA 1.223 59.464 58.200 0.068 0.000 1.003 391 S CB -0.299 62.951 63.200 0.083 0.000 0.813 391 S HN 0.396 nan 8.310 nan 0.000 0.477 392 L N 0.442 121.628 121.223 -0.061 0.000 2.362 392 L HA 0.014 4.356 4.340 0.004 0.000 0.219 392 L C 2.553 179.373 176.870 -0.083 0.000 1.134 392 L CA 0.951 55.746 54.840 -0.075 0.000 0.807 392 L CB -0.340 41.672 42.059 -0.078 0.000 0.927 392 L HN 0.261 nan 8.230 nan 0.000 0.447 393 R N -0.404 119.933 120.500 -0.272 0.000 2.167 393 R HA 0.038 4.380 4.340 0.004 0.000 0.201 393 R C 1.819 177.827 176.300 -0.486 0.000 1.024 393 R CA 0.533 56.325 56.100 -0.513 0.000 1.053 393 R CB 0.106 29.813 30.300 -0.989 0.000 0.987 393 R HN 0.152 nan 8.270 nan 0.000 0.493 394 F N 0.780 120.708 119.950 -0.036 0.000 2.746 394 F HA 0.188 4.717 4.527 0.004 0.000 0.297 394 F C 0.637 176.436 175.800 -0.002 0.000 1.113 394 F CA -0.320 57.665 58.000 -0.025 0.000 1.367 394 F CB 0.366 39.321 39.000 -0.076 0.000 1.111 394 F HN -0.021 nan 8.300 nan 0.000 0.590 395 D N 1.922 122.405 120.400 0.138 0.000 2.317 395 D HA 0.055 4.698 4.640 0.004 0.000 0.252 395 D C -1.979 174.324 176.300 0.005 0.000 1.174 395 D CA -1.619 52.412 54.000 0.053 0.000 0.866 395 D CB 1.758 42.568 40.800 0.016 0.000 1.127 395 D HN 0.001 nan 8.370 nan 0.000 0.467 396 P HA -0.123 nan 4.420 nan 0.000 0.215 396 P C 0.963 178.233 177.300 -0.050 0.000 1.153 396 P CA 1.321 64.408 63.100 -0.021 0.000 0.853 396 P CB 0.222 31.910 31.700 -0.021 0.000 0.788 397 A N -1.554 121.199 122.820 -0.112 0.000 1.898 397 A HA -0.195 4.128 4.320 0.004 0.000 0.216 397 A C 2.142 179.687 177.584 -0.065 0.000 1.181 397 A CA 1.304 53.265 52.037 -0.128 0.000 0.620 397 A CB -1.859 17.016 19.000 -0.209 0.000 0.819 397 A HN 0.195 nan 8.150 nan 0.000 0.442 398 Y N -0.557 119.706 120.300 -0.061 0.000 2.224 398 Y HA -0.199 4.354 4.550 0.004 0.000 0.289 398 Y C 2.674 178.523 175.900 -0.084 0.000 1.146 398 Y CA 0.877 58.929 58.100 -0.080 0.000 1.182 398 Y CB 0.005 38.423 38.460 -0.071 0.000 0.983 398 Y HN 0.358 nan 8.280 nan 0.000 0.524 399 E N 1.502 121.758 120.200 0.092 0.000 2.097 399 E HA -0.237 4.116 4.350 0.004 0.000 0.196 399 E C 1.700 178.303 176.600 0.004 0.000 1.000 399 E CA 1.475 57.914 56.400 0.065 0.000 0.804 399 E CB -0.051 29.671 29.700 0.036 0.000 0.740 399 E HN 0.491 nan 8.360 nan 0.000 0.454 400 K N -0.080 120.292 120.400 -0.047 0.000 2.097 400 K HA -0.084 4.239 4.320 0.004 0.000 0.206 400 K C 2.368 178.856 176.600 -0.187 0.000 1.049 400 K CA 1.359 57.583 56.287 -0.105 0.000 0.933 400 K CB -0.101 32.347 32.500 -0.088 0.000 0.717 400 K HN 0.187 nan 8.250 nan 0.000 0.442 401 I N 0.602 121.043 120.570 -0.214 0.000 2.233 401 I HA -0.246 3.926 4.170 0.004 0.000 0.243 401 I C 2.214 177.937 176.117 -0.657 0.000 1.093 401 I CA 0.983 62.010 61.300 -0.454 0.000 1.380 401 I CB -0.261 37.518 38.000 -0.368 0.000 1.067 401 I HN 0.023 nan 8.210 nan 0.000 0.413 402 S N 0.624 116.097 115.700 -0.377 0.000 2.365 402 S HA -0.179 4.294 4.470 0.004 0.000 0.225 402 S C 2.120 176.442 174.600 -0.463 0.000 1.039 402 S CA 1.238 59.160 58.200 -0.463 0.000 1.033 402 S CB -0.306 62.885 63.200 -0.015 0.000 0.887 402 S HN 0.322 nan 8.310 nan 0.000 0.447 403 R N 0.856 121.199 120.500 -0.261 0.000 2.081 403 R HA 0.009 4.352 4.340 0.004 0.000 0.235 403 R C 2.516 178.643 176.300 -0.289 0.000 1.131 403 R CA 1.114 56.983 56.100 -0.386 0.000 0.960 403 R CB -0.493 29.582 30.300 -0.375 0.000 0.856 403 R HN 0.396 nan 8.270 nan 0.000 0.436 404 R N 0.079 120.407 120.500 -0.286 0.000 2.073 404 R HA -0.079 4.263 4.340 0.004 0.000 0.234 404 R C 2.249 178.515 176.300 -0.057 0.000 1.134 404 R CA 1.447 57.429 56.100 -0.196 0.000 0.952 404 R CB -0.327 29.831 30.300 -0.236 0.000 0.850 404 R HN 0.184 nan 8.270 nan 0.000 0.433 405 F N -0.884 118.921 119.950 -0.243 0.000 2.171 405 F HA -0.229 4.301 4.527 0.004 0.000 0.300 405 F C 2.529 178.191 175.800 -0.230 0.000 1.090 405 F CA 0.805 58.662 58.000 -0.238 0.000 1.293 405 F CB -0.259 38.445 39.000 -0.494 0.000 1.013 405 F HN 0.304 nan 8.300 nan 0.000 0.486 406 H N 0.759 119.642 119.070 -0.311 0.000 2.353 406 H HA -0.131 4.428 4.556 0.004 0.000 0.300 406 H C 1.761 177.039 175.328 -0.085 0.000 1.090 406 H CA 1.950 57.906 56.048 -0.153 0.000 1.327 406 H CB -0.201 29.445 29.762 -0.194 0.000 1.383 406 H HN 0.268 nan 8.280 nan 0.000 0.508 407 E N -0.651 119.427 120.200 -0.204 0.000 2.299 407 E HA 0.026 4.379 4.350 0.004 0.000 0.193 407 E C -0.120 176.413 176.600 -0.110 0.000 0.998 407 E CA 0.303 56.563 56.400 -0.233 0.000 0.851 407 E CB 0.360 29.943 29.700 -0.194 0.000 0.795 407 E HN 0.432 nan 8.360 nan 0.000 0.492 408 N N 0.832 119.520 118.700 -0.020 0.000 2.791 408 N HA 0.116 4.859 4.740 0.004 0.000 0.265 408 N C -2.404 173.166 175.510 0.100 0.000 1.580 408 N CA -0.952 52.123 53.050 0.041 0.000 0.809 408 N CB 1.459 39.995 38.487 0.082 0.000 1.178 408 N HN -0.035 nan 8.380 nan 0.000 0.499 409 P HA -0.142 nan 4.420 nan 0.000 0.220 409 P C 1.164 178.548 177.300 0.140 0.000 1.148 409 P CA 1.294 64.389 63.100 -0.009 0.000 0.803 409 P CB 0.448 31.748 31.700 -0.667 0.000 0.782 410 E N 0.535 120.803 120.200 0.114 0.000 2.110 410 E HA -0.216 4.136 4.350 0.004 0.000 0.193 410 E C 1.925 178.616 176.600 0.153 0.000 0.988 410 E CA 1.398 57.883 56.400 0.142 0.000 0.804 410 E CB -1.616 28.146 29.700 0.105 0.000 0.745 410 E HN 0.370 nan 8.360 nan 0.000 0.458 411 Q N -0.645 119.263 119.800 0.180 0.000 2.084 411 Q HA -0.098 4.244 4.340 0.004 0.000 0.202 411 Q C 1.966 178.056 176.000 0.149 0.000 0.978 411 Q CA 1.336 57.272 55.803 0.221 0.000 0.844 411 Q CB -0.348 28.581 28.738 0.318 0.000 0.898 411 Q HN 0.308 nan 8.270 nan 0.000 0.426 412 F N 1.443 121.305 119.950 -0.146 0.000 2.069 412 F HA -0.194 4.335 4.527 0.004 0.000 0.298 412 F C 2.152 177.915 175.800 -0.061 0.000 1.113 412 F CA 1.442 59.093 58.000 -0.582 0.000 1.214 412 F CB -0.837 38.032 39.000 -0.219 0.000 0.978 412 F HN -0.003 nan 8.300 nan 0.000 0.474 413 A N -0.267 122.591 122.820 0.064 0.000 1.902 413 A HA -0.246 4.076 4.320 0.004 0.000 0.217 413 A C 1.992 179.617 177.584 0.069 0.000 1.181 413 A CA 2.063 54.170 52.037 0.118 0.000 0.623 413 A CB -1.314 17.822 19.000 0.227 0.000 0.818 413 A HN 0.500 nan 8.150 nan 0.000 0.443 414 D N -0.512 119.922 120.400 0.056 0.000 2.117 414 D HA 0.006 4.648 4.640 0.004 0.000 0.198 414 D C 2.048 178.384 176.300 0.060 0.000 0.982 414 D CA 1.543 55.573 54.000 0.049 0.000 0.828 414 D CB -0.189 40.654 40.800 0.072 0.000 0.967 414 D HN 0.331 nan 8.370 nan 0.000 0.464 415 A N -0.314 122.557 122.820 0.085 0.000 1.898 415 A HA -0.106 4.217 4.320 0.004 0.000 0.216 415 A C 2.286 179.976 177.584 0.176 0.000 1.181 415 A CA 1.153 53.271 52.037 0.135 0.000 0.620 415 A CB -1.264 17.859 19.000 0.205 0.000 0.819 415 A HN 0.475 nan 8.150 nan 0.000 0.442 416 F N 0.712 120.645 119.950 -0.030 0.000 2.134 416 F HA -0.093 4.436 4.527 0.004 0.000 0.299 416 F C 2.565 178.448 175.800 0.139 0.000 1.097 416 F CA 1.131 59.118 58.000 -0.022 0.000 1.264 416 F CB -0.094 38.734 39.000 -0.287 0.000 1.001 416 F HN 0.292 nan 8.300 nan 0.000 0.479 417 A N 0.884 123.752 122.820 0.079 0.000 1.883 417 A HA -0.238 4.085 4.320 0.004 0.000 0.217 417 A C 2.192 179.801 177.584 0.040 0.000 1.186 417 A CA 1.938 54.021 52.037 0.076 0.000 0.624 417 A CB -0.787 18.234 19.000 0.036 0.000 0.822 417 A HN 0.474 nan 8.150 nan 0.000 0.444 418 R N -0.819 119.618 120.500 -0.106 0.000 2.075 418 R HA -0.014 4.328 4.340 0.004 0.000 0.232 418 R C 2.483 178.791 176.300 0.013 0.000 1.126 418 R CA 1.170 57.105 56.100 -0.274 0.000 0.963 418 R CB -0.407 29.722 30.300 -0.285 0.000 0.858 418 R HN 0.513 nan 8.270 nan 0.000 0.435 419 A N 0.775 123.645 122.820 0.084 0.000 1.930 419 A HA -0.171 4.151 4.320 0.004 0.000 0.217 419 A C 1.862 179.524 177.584 0.131 0.000 1.175 419 A CA 0.754 52.857 52.037 0.110 0.000 0.627 419 A CB -0.818 18.301 19.000 0.197 0.000 0.815 419 A HN 0.605 nan 8.150 nan 0.000 0.443 420 W N -0.352 120.924 121.300 -0.040 0.000 2.358 420 W HA -0.223 4.439 4.660 0.004 0.000 0.303 420 W C 1.825 178.399 176.519 0.092 0.000 1.208 420 W CA 1.727 59.047 57.345 -0.042 0.000 1.274 420 W CB -0.450 28.834 29.460 -0.295 0.000 1.138 420 W HN 0.404 nan 8.180 nan 0.000 0.515 421 F N 2.142 122.155 119.950 0.105 0.000 2.102 421 F HA -0.208 4.321 4.527 0.003 0.000 0.298 421 F C 2.649 178.468 175.800 0.030 0.000 1.105 421 F CA 2.849 60.922 58.000 0.121 0.000 1.239 421 F CB -0.782 38.371 39.000 0.255 0.000 0.991 421 F HN -0.211 nan 8.300 nan 0.000 0.474 422 K N 0.261 120.547 120.400 -0.190 0.000 2.026 422 K HA -0.225 4.097 4.320 0.004 0.000 0.208 422 K C 2.188 178.362 176.600 -0.711 0.000 1.048 422 K CA 1.714 57.502 56.287 -0.833 0.000 0.929 422 K CB -0.646 31.285 32.500 -0.948 0.000 0.713 422 K HN 0.358 nan 8.250 nan 0.000 0.439 423 L N 1.470 122.438 121.223 -0.426 0.000 2.021 423 L HA -0.213 4.130 4.340 0.004 0.000 0.215 423 L C 2.151 178.755 176.870 -0.443 0.000 1.074 423 L CA 2.768 57.406 54.840 -0.338 0.000 0.760 423 L CB -0.988 40.951 42.059 -0.200 0.000 0.889 423 L HN 0.511 nan 8.230 nan 0.000 0.433 424 T N -5.423 108.809 114.554 -0.536 0.000 3.081 424 T HA 0.030 4.382 4.350 0.004 0.000 0.250 424 T C 1.057 175.312 174.700 -0.741 0.000 1.100 424 T CA 0.930 62.676 62.100 -0.591 0.000 1.038 424 T CB -0.447 68.027 68.868 -0.656 0.000 0.962 424 T HN 0.547 nan 8.240 nan 0.000 0.516 425 H N 0.266 118.950 119.070 -0.643 0.000 3.058 425 H HA 0.352 4.910 4.556 0.004 0.000 0.266 425 H C 2.130 177.240 175.328 -0.363 0.000 1.135 425 H CA -0.321 55.383 56.048 -0.574 0.000 1.174 425 H CB 0.213 29.504 29.762 -0.785 0.000 1.581 425 H HN 0.340 nan 8.280 nan 0.000 0.553 426 R N 1.021 121.237 120.500 -0.472 0.000 2.200 426 R HA -0.103 4.240 4.340 0.004 0.000 0.234 426 R C 0.103 176.175 176.300 -0.380 0.000 1.127 426 R CA 1.833 57.640 56.100 -0.488 0.000 0.989 426 R CB -0.198 29.654 30.300 -0.748 0.000 0.869 426 R HN 0.311 nan 8.270 nan 0.000 0.459 427 D N -0.235 119.916 120.400 -0.415 0.000 2.402 427 D HA 0.025 4.668 4.640 0.004 0.000 0.216 427 D C 1.393 177.605 176.300 -0.147 0.000 1.128 427 D CA -0.099 53.740 54.000 -0.269 0.000 0.833 427 D CB 0.058 40.700 40.800 -0.264 0.000 0.971 427 D HN 0.240 nan 8.370 nan 0.000 0.503 428 M N 0.362 119.888 119.600 -0.123 0.000 2.556 428 M HA 0.208 4.690 4.480 0.004 0.000 0.245 428 M C 0.967 177.244 176.300 -0.039 0.000 1.128 428 M CA 0.765 56.000 55.300 -0.108 0.000 1.069 428 M CB 0.243 32.730 32.600 -0.190 0.000 1.469 428 M HN 0.296 nan 8.290 nan 0.000 0.494 429 G N 0.878 109.690 108.800 0.019 0.000 2.584 429 G HA2 -0.194 3.769 3.960 0.004 0.000 0.229 429 G HA3 -0.194 3.769 3.960 0.004 0.000 0.229 429 G C -2.812 172.086 174.900 -0.004 0.000 1.320 429 G CA -1.188 43.897 45.100 -0.025 0.000 0.891 429 G HN 0.172 nan 8.290 nan 0.000 0.573 430 P HA 0.274 nan 4.420 nan 0.000 0.267 430 P C 1.006 178.164 177.300 -0.237 0.000 1.200 430 P CA -0.061 62.981 63.100 -0.097 0.000 0.772 430 P CB 0.311 32.031 31.700 0.033 0.000 0.855 431 R N 2.311 122.560 120.500 -0.419 0.000 2.159 431 R HA -0.174 4.168 4.340 0.004 0.000 0.237 431 R C 1.948 178.020 176.300 -0.380 0.000 1.131 431 R CA 1.571 57.203 56.100 -0.780 0.000 0.982 431 R CB -0.816 29.112 30.300 -0.621 0.000 0.868 431 R HN 0.526 nan 8.270 nan 0.000 0.453 432 A N 1.205 123.924 122.820 -0.169 0.000 2.076 432 A HA -0.177 4.145 4.320 0.004 0.000 0.220 432 A C 1.875 179.456 177.584 -0.005 0.000 1.160 432 A CA 1.187 53.196 52.037 -0.046 0.000 0.653 432 A CB -0.299 18.724 19.000 0.038 0.000 0.801 432 A HN 0.260 nan 8.150 nan 0.000 0.455 433 R N -1.876 118.604 120.500 -0.034 0.000 2.240 433 R HA 0.033 4.375 4.340 0.004 0.000 0.203 433 R C -0.457 175.918 176.300 0.125 0.000 1.011 433 R CA -0.019 56.075 56.100 -0.010 0.000 1.007 433 R CB -0.082 30.109 30.300 -0.181 0.000 0.911 433 R HN 0.500 nan 8.270 nan 0.000 0.468 434 Y N 1.562 121.808 120.300 -0.091 0.000 2.496 434 Y HA 0.156 4.709 4.550 0.005 0.000 0.334 434 Y C 0.592 176.458 175.900 -0.056 0.000 1.080 434 Y CA -0.500 57.556 58.100 -0.074 0.000 1.355 434 Y CB 0.148 38.593 38.460 -0.026 0.000 1.193 434 Y HN -0.121 nan 8.280 nan 0.000 0.523 435 L N 2.470 123.711 121.223 0.030 0.000 2.330 435 L HA 0.884 5.226 4.340 0.004 0.000 0.271 435 L C 0.631 177.638 176.870 0.228 0.000 1.013 435 L CA -0.855 54.038 54.840 0.089 0.000 0.816 435 L CB 1.773 43.849 42.059 0.028 0.000 1.287 435 L HN 0.808 nan 8.230 nan 0.000 0.435 436 G N 1.766 110.742 108.800 0.293 0.000 2.655 436 G HA2 -0.118 3.844 3.960 0.004 0.000 0.680 436 G HA3 -0.118 3.844 3.960 0.004 0.000 0.680 436 G C -2.388 172.614 174.900 0.170 0.000 1.302 436 G CA -0.276 45.007 45.100 0.306 0.000 0.872 436 G HN 0.544 nan 8.290 nan 0.000 0.540 437 P HA 0.172 nan 4.420 nan 0.000 0.251 437 P C 0.628 177.972 177.300 0.072 0.000 1.223 437 P CA 0.936 64.079 63.100 0.072 0.000 0.796 437 P CB 0.302 32.025 31.700 0.038 0.000 1.068 438 E N -0.152 120.127 120.200 0.133 0.000 2.499 438 E HA 0.151 4.503 4.350 0.004 0.000 0.199 438 E C -0.168 176.472 176.600 0.066 0.000 1.016 438 E CA -0.273 56.192 56.400 0.108 0.000 0.933 438 E CB 0.750 30.572 29.700 0.202 0.000 1.050 438 E HN 0.022 nan 8.360 nan 0.000 0.462 439 V N 3.814 123.764 119.914 0.060 0.000 2.521 439 V HA 0.069 4.191 4.120 0.004 0.000 0.286 439 V C -1.963 174.075 176.094 -0.094 0.000 1.034 439 V CA -1.362 60.966 62.300 0.048 0.000 1.045 439 V CB 0.009 31.911 31.823 0.132 0.000 0.974 439 V HN 0.095 nan 8.190 nan 0.000 0.480 440 P HA 0.184 nan 4.420 nan 0.000 0.267 440 P C 0.535 177.690 177.300 -0.242 0.000 1.205 440 P CA -0.099 62.746 63.100 -0.425 0.000 0.765 440 P CB 0.951 32.177 31.700 -0.791 0.000 0.828 441 A N 2.905 125.592 122.820 -0.221 0.000 1.969 441 A HA -0.143 4.179 4.320 0.004 0.000 0.218 441 A C 1.073 178.582 177.584 -0.125 0.000 1.169 441 A CA 0.743 52.693 52.037 -0.144 0.000 0.635 441 A CB -0.784 18.143 19.000 -0.122 0.000 0.810 441 A HN 0.660 nan 8.150 nan 0.000 0.445 442 E N 0.520 120.640 120.200 -0.134 0.000 2.415 442 E HA 0.272 4.625 4.350 0.004 0.000 0.263 442 E C -1.068 175.504 176.600 -0.046 0.000 0.995 442 E CA -0.311 56.060 56.400 -0.050 0.000 0.915 442 E CB 0.532 30.264 29.700 0.052 0.000 0.951 442 E HN 0.128 nan 8.360 nan 0.000 0.449 443 V N 6.617 126.492 119.914 -0.065 0.000 2.432 443 V HA 0.226 4.349 4.120 0.004 0.000 0.275 443 V C 0.169 176.188 176.094 -0.124 0.000 1.043 443 V CA -0.359 61.871 62.300 -0.118 0.000 0.925 443 V CB 0.841 32.595 31.823 -0.116 0.000 0.985 443 V HN 0.563 nan 8.190 nan 0.000 0.466 444 L N 4.675 125.746 121.223 -0.252 0.000 2.334 444 L HA 0.389 4.731 4.340 0.004 0.000 0.276 444 L C 0.928 177.559 176.870 -0.400 0.000 1.014 444 L CA -0.661 53.982 54.840 -0.329 0.000 0.815 444 L CB 1.598 43.325 42.059 -0.553 0.000 1.268 444 L HN 0.472 nan 8.230 nan 0.000 0.428 445 L N 3.578 124.695 121.223 -0.177 0.000 2.079 445 L HA -0.179 4.163 4.340 0.004 0.000 0.210 445 L C 2.081 178.934 176.870 -0.027 0.000 1.081 445 L CA 1.924 56.728 54.840 -0.060 0.000 0.752 445 L CB -0.539 41.553 42.059 0.054 0.000 0.896 445 L HN 0.783 nan 8.230 nan 0.000 0.433 446 W N -1.189 120.151 121.300 0.067 0.000 2.721 446 W HA -0.105 4.557 4.660 0.003 0.000 0.245 446 W C 1.284 177.838 176.519 0.057 0.000 1.276 446 W CA 0.227 57.611 57.345 0.065 0.000 1.342 446 W CB -1.163 28.337 29.460 0.067 0.000 1.135 446 W HN 0.349 nan 8.180 nan 0.000 0.654 447 Q N 0.976 120.553 119.800 -0.371 0.000 2.444 447 Q HA -0.055 4.288 4.340 0.004 0.000 0.206 447 Q C -0.270 175.672 176.000 -0.097 0.000 0.948 447 Q CA 0.431 56.062 55.803 -0.286 0.000 0.946 447 Q CB -0.370 28.038 28.738 -0.549 0.000 1.027 447 Q HN 0.062 nan 8.270 nan 0.000 0.513 448 D N 1.402 121.782 120.400 -0.032 0.000 2.740 448 D HA -0.132 4.511 4.640 0.004 0.000 0.231 448 D C -2.424 173.854 176.300 -0.036 0.000 1.194 448 D CA 0.510 54.510 54.000 -0.001 0.000 0.673 448 D CB -0.747 40.081 40.800 0.047 0.000 0.995 448 D HN 0.296 nan 8.370 nan 0.000 0.411 449 P HA 0.177 nan 4.420 nan 0.000 0.269 449 P C 0.370 177.639 177.300 -0.052 0.000 1.209 449 P CA -0.055 62.992 63.100 -0.089 0.000 0.776 449 P CB 0.801 32.436 31.700 -0.108 0.000 0.876 450 I N 3.858 124.398 120.570 -0.051 0.000 2.433 450 I HA 0.312 4.485 4.170 0.004 0.000 0.292 450 I C -2.003 174.090 176.117 -0.039 0.000 1.001 450 I CA -2.530 58.750 61.300 -0.033 0.000 1.119 450 I CB 1.513 39.502 38.000 -0.018 0.000 1.289 450 I HN 0.197 nan 8.210 nan 0.000 0.438 451 P HA 0.166 nan 4.420 nan 0.000 0.268 451 P C -0.530 176.751 177.300 -0.032 0.000 1.208 451 P CA -0.368 62.716 63.100 -0.027 0.000 0.777 451 P CB 0.492 32.186 31.700 -0.009 0.000 0.875 452 A N 2.178 124.975 122.820 -0.039 0.000 2.445 452 A HA 0.251 4.573 4.320 0.004 0.000 0.242 452 A C -0.009 177.540 177.584 -0.058 0.000 1.075 452 A CA -0.325 51.682 52.037 -0.051 0.000 0.777 452 A CB -0.017 18.953 19.000 -0.051 0.000 1.013 452 A HN 0.393 nan 8.150 nan 0.000 0.493 453 V N 2.802 122.655 119.914 -0.101 0.000 2.461 453 V HA 0.210 4.333 4.120 0.004 0.000 0.275 453 V C 0.258 176.232 176.094 -0.201 0.000 1.047 453 V CA 0.302 62.483 62.300 -0.199 0.000 0.955 453 V CB 1.212 32.866 31.823 -0.282 0.000 0.988 453 V HN 1.006 nan 8.190 nan 0.000 0.471 454 D N 2.895 123.186 120.400 -0.182 0.000 2.571 454 D HA 0.139 4.782 4.640 0.004 0.000 0.239 454 D C 0.033 176.331 176.300 -0.003 0.000 1.267 454 D CA -0.201 53.761 54.000 -0.064 0.000 0.823 454 D CB 0.151 40.959 40.800 0.013 0.000 1.056 454 D HN 0.785 nan 8.370 nan 0.000 0.494 455 H N -2.657 116.417 119.070 0.007 0.000 3.008 455 H HA 0.703 5.262 4.556 0.004 0.000 0.354 455 H C -3.090 172.250 175.328 0.019 0.000 1.252 455 H CA -1.934 54.122 56.048 0.014 0.000 1.117 455 H CB -0.119 29.657 29.762 0.022 0.000 1.857 455 H HN -0.337 nan 8.280 nan 0.000 0.547 456 P HA 0.088 nan 4.420 nan 0.000 0.268 456 P C -0.340 177.123 177.300 0.272 0.000 1.205 456 P CA -0.142 63.051 63.100 0.154 0.000 0.771 456 P CB 0.641 32.412 31.700 0.119 0.000 0.858 457 L N 2.874 124.188 121.223 0.152 0.000 2.421 457 L HA 0.410 4.753 4.340 0.004 0.000 0.263 457 L C 1.049 178.018 176.870 0.165 0.000 1.122 457 L CA -1.219 53.723 54.840 0.170 0.000 0.804 457 L CB 0.379 42.482 42.059 0.073 0.000 1.150 457 L HN 0.373 nan 8.230 nan 0.000 0.457 458 I N -1.168 119.511 120.570 0.181 0.000 2.813 458 I HA 0.126 4.298 4.170 0.004 0.000 0.287 458 I C -0.144 176.055 176.117 0.137 0.000 1.196 458 I CA -0.520 60.883 61.300 0.173 0.000 1.421 458 I CB 0.336 38.413 38.000 0.127 0.000 1.365 458 I HN 0.572 nan 8.210 nan 0.000 0.591 459 D N 4.284 124.760 120.400 0.127 0.000 2.588 459 D HA 0.508 5.151 4.640 0.004 0.000 0.268 459 D C 0.952 177.311 176.300 0.099 0.000 1.176 459 D CA -0.297 53.761 54.000 0.098 0.000 1.080 459 D CB 0.833 41.681 40.800 0.080 0.000 1.186 459 D HN 0.592 nan 8.370 nan 0.000 0.619 460 A N -0.296 122.572 122.820 0.081 0.000 1.933 460 A HA 0.062 4.384 4.320 0.004 0.000 0.218 460 A C 2.150 179.772 177.584 0.064 0.000 1.175 460 A CA 2.511 54.593 52.037 0.075 0.000 0.628 460 A CB -1.425 17.611 19.000 0.060 0.000 0.814 460 A HN 0.663 nan 8.150 nan 0.000 0.444 461 A N 0.232 123.091 122.820 0.065 0.000 1.877 461 A HA -0.194 4.128 4.320 0.004 0.000 0.216 461 A C 1.775 179.407 177.584 0.080 0.000 1.186 461 A CA 1.850 53.925 52.037 0.064 0.000 0.620 461 A CB -0.594 18.445 19.000 0.065 0.000 0.822 461 A HN 0.482 nan 8.150 nan 0.000 0.443 462 D N 0.224 120.691 120.400 0.111 0.000 2.117 462 D HA -0.083 4.560 4.640 0.004 0.000 0.197 462 D C 2.219 178.519 176.300 -0.000 0.000 0.987 462 D CA 1.570 55.659 54.000 0.147 0.000 0.829 462 D CB -0.516 40.417 40.800 0.222 0.000 0.961 462 D HN 0.437 nan 8.370 nan 0.000 0.460 463 A N 1.129 123.946 122.820 -0.004 0.000 1.933 463 A HA -0.042 4.281 4.320 0.004 0.000 0.218 463 A C 2.326 179.865 177.584 -0.076 0.000 1.175 463 A CA 2.181 54.174 52.037 -0.074 0.000 0.628 463 A CB -0.613 18.395 19.000 0.013 0.000 0.814 463 A HN 0.247 nan 8.150 nan 0.000 0.444 464 A N -0.458 122.353 122.820 -0.016 0.000 1.930 464 A HA -0.139 4.184 4.320 0.004 0.000 0.217 464 A C 2.040 179.616 177.584 -0.012 0.000 1.175 464 A CA 1.675 53.706 52.037 -0.011 0.000 0.627 464 A CB -0.488 18.520 19.000 0.014 0.000 0.815 464 A HN 0.672 nan 8.150 nan 0.000 0.443 465 E N -0.003 120.203 120.200 0.010 0.000 2.031 465 E HA -0.179 4.174 4.350 0.004 0.000 0.193 465 E C 1.956 178.551 176.600 -0.009 0.000 0.994 465 E CA 1.231 57.651 56.400 0.033 0.000 0.800 465 E CB -0.234 29.534 29.700 0.114 0.000 0.752 465 E HN 0.602 nan 8.360 nan 0.000 0.447 466 L N 0.672 121.841 121.223 -0.090 0.000 2.042 466 L HA -0.214 4.128 4.340 0.004 0.000 0.210 466 L C 2.702 179.495 176.870 -0.127 0.000 1.076 466 L CA 1.473 56.211 54.840 -0.169 0.000 0.749 466 L CB -0.327 41.526 42.059 -0.344 0.000 0.893 466 L HN 0.085 nan 8.230 nan 0.000 0.432 467 K N -0.213 120.114 120.400 -0.122 0.000 2.097 467 K HA -0.143 4.179 4.320 0.004 0.000 0.206 467 K C 2.211 178.778 176.600 -0.055 0.000 1.049 467 K CA 1.309 57.538 56.287 -0.096 0.000 0.933 467 K CB -0.230 32.216 32.500 -0.089 0.000 0.717 467 K HN 0.305 nan 8.250 nan 0.000 0.442 468 A N 1.724 124.522 122.820 -0.037 0.000 1.898 468 A HA -0.173 4.149 4.320 0.004 0.000 0.216 468 A C 1.900 179.475 177.584 -0.015 0.000 1.181 468 A CA 1.430 53.456 52.037 -0.018 0.000 0.620 468 A CB -0.227 18.771 19.000 -0.005 0.000 0.819 468 A HN 0.166 nan 8.150 nan 0.000 0.442 469 K N -0.479 119.912 120.400 -0.015 0.000 2.097 469 K HA -0.049 4.273 4.320 0.004 0.000 0.206 469 K C 1.849 178.439 176.600 -0.017 0.000 1.049 469 K CA 1.296 57.579 56.287 -0.007 0.000 0.933 469 K CB -0.298 32.205 32.500 0.005 0.000 0.717 469 K HN 0.282 nan 8.250 nan 0.000 0.442 470 V N 1.709 121.603 119.914 -0.034 0.000 2.295 470 V HA -0.250 3.873 4.120 0.004 0.000 0.246 470 V C 2.141 178.222 176.094 -0.022 0.000 1.049 470 V CA 1.674 63.954 62.300 -0.034 0.000 1.024 470 V CB -0.368 31.424 31.823 -0.052 0.000 0.648 470 V HN 0.288 nan 8.190 nan 0.000 0.447 471 L N -0.007 121.202 121.223 -0.023 0.000 2.141 471 L HA -0.070 4.272 4.340 0.004 0.000 0.209 471 L C 2.575 179.439 176.870 -0.010 0.000 1.094 471 L CA 1.297 56.127 54.840 -0.017 0.000 0.763 471 L CB -0.695 41.354 42.059 -0.018 0.000 0.908 471 L HN 0.353 nan 8.230 nan 0.000 0.437 472 A N -0.086 122.729 122.820 -0.008 0.000 2.119 472 A HA -0.134 4.188 4.320 0.004 0.000 0.217 472 A C 2.438 180.022 177.584 -0.001 0.000 1.153 472 A CA 1.388 53.424 52.037 -0.003 0.000 0.692 472 A CB -0.444 18.556 19.000 0.001 0.000 0.799 472 A HN 0.506 nan 8.150 nan 0.000 0.458 473 S N -1.826 113.872 115.700 -0.003 0.000 2.481 473 S HA 0.300 4.772 4.470 0.004 0.000 0.231 473 S C 1.564 176.164 174.600 0.000 0.000 0.996 473 S CA 1.214 59.414 58.200 -0.001 0.000 0.942 473 S CB -0.372 62.827 63.200 -0.002 0.000 0.768 473 S HN 1.839 nan 8.310 nan 0.000 0.520 474 G N 0.653 109.452 108.800 -0.001 0.000 2.175 474 G HA2 -0.214 3.748 3.960 0.004 0.000 0.244 474 G HA3 -0.214 3.748 3.960 0.004 0.000 0.244 474 G C -0.037 174.863 174.900 0.000 0.000 0.982 474 G CA 0.067 45.167 45.100 0.000 0.000 0.641 474 G HN 0.537 nan 8.290 nan 0.000 0.527 475 L N 2.197 123.420 121.223 -0.000 0.000 2.490 475 L HA 0.412 4.755 4.340 0.004 0.000 0.274 475 L C 1.619 178.488 176.870 -0.001 0.000 1.201 475 L CA 0.606 55.447 54.840 0.002 0.000 0.869 475 L CB 0.555 42.615 42.059 0.002 0.000 1.123 475 L HN 0.443 nan 8.230 nan 0.000 0.484 476 T N -0.678 113.877 114.554 0.001 0.000 2.902 476 T HA 0.268 4.620 4.350 0.004 0.000 0.280 476 T C 1.305 175.999 174.700 -0.009 0.000 0.992 476 T CA -0.973 61.125 62.100 -0.004 0.000 1.015 476 T CB 1.579 70.447 68.868 -0.001 0.000 1.044 476 T HN 0.235 nan 8.240 nan 0.000 0.520 477 V N 1.480 121.381 119.914 -0.022 0.000 2.250 477 V HA -0.215 3.907 4.120 0.004 0.000 0.250 477 V C 3.057 179.133 176.094 -0.030 0.000 1.060 477 V CA 2.632 64.909 62.300 -0.040 0.000 1.030 477 V CB -1.257 30.530 31.823 -0.060 0.000 0.643 477 V HN 1.122 nan 8.190 nan 0.000 0.445 478 S N -1.121 114.567 115.700 -0.021 0.000 2.370 478 S HA -0.316 4.157 4.470 0.004 0.000 0.226 478 S C 2.032 176.647 174.600 0.025 0.000 1.033 478 S CA 2.262 60.459 58.200 -0.005 0.000 1.011 478 S CB -0.274 62.923 63.200 -0.004 0.000 0.852 478 S HN 0.719 nan 8.310 nan 0.000 0.457 479 Q N 0.146 119.961 119.800 0.025 0.000 2.050 479 Q HA -0.023 4.319 4.340 0.004 0.000 0.202 479 Q C 2.369 178.405 176.000 0.061 0.000 0.980 479 Q CA 1.690 57.517 55.803 0.041 0.000 0.840 479 Q CB -0.304 28.451 28.738 0.028 0.000 0.898 479 Q HN 0.537 nan 8.270 nan 0.000 0.424 480 L N -0.274 120.979 121.223 0.050 0.000 2.017 480 L HA -0.179 4.163 4.340 0.004 0.000 0.208 480 L C 2.354 179.309 176.870 0.140 0.000 1.073 480 L CA 0.815 55.698 54.840 0.071 0.000 0.745 480 L CB -0.487 41.592 42.059 0.034 0.000 0.894 480 L HN 0.089 nan 8.230 nan 0.000 0.432 481 V N -1.060 118.919 119.914 0.109 0.000 2.307 481 V HA -0.231 3.892 4.120 0.004 0.000 0.245 481 V C 2.575 178.875 176.094 0.343 0.000 1.045 481 V CA 1.895 64.307 62.300 0.187 0.000 1.024 481 V CB -0.320 31.486 31.823 -0.029 0.000 0.651 481 V HN 0.353 nan 8.190 nan 0.000 0.449 482 S N 0.044 115.873 115.700 0.216 0.000 2.359 482 S HA -0.223 4.250 4.470 0.004 0.000 0.224 482 S C 2.093 176.855 174.600 0.269 0.000 1.035 482 S CA 2.113 60.457 58.200 0.240 0.000 1.018 482 S CB -0.484 62.801 63.200 0.142 0.000 0.876 482 S HN 0.700 nan 8.310 nan 0.000 0.448 483 T N 2.287 116.958 114.554 0.195 0.000 2.746 483 T HA -0.013 4.339 4.350 0.004 0.000 0.267 483 T C 2.144 176.939 174.700 0.157 0.000 1.039 483 T CA 1.233 63.421 62.100 0.146 0.000 1.142 483 T CB -0.492 68.434 68.868 0.097 0.000 0.866 483 T HN 0.464 nan 8.240 nan 0.000 0.444 484 A N 1.133 124.091 122.820 0.230 0.000 1.930 484 A HA -0.065 4.257 4.320 0.004 0.000 0.217 484 A C 2.143 179.790 177.584 0.105 0.000 1.175 484 A CA 1.061 53.209 52.037 0.184 0.000 0.627 484 A CB -1.020 18.190 19.000 0.350 0.000 0.815 484 A HN 0.752 nan 8.150 nan 0.000 0.443 485 W N 0.875 122.242 121.300 0.112 0.000 2.358 485 W HA -0.183 4.479 4.660 0.003 0.000 0.303 485 W C 2.201 178.730 176.519 0.016 0.000 1.208 485 W CA 1.926 59.287 57.345 0.027 0.000 1.274 485 W CB -0.286 29.283 29.460 0.182 0.000 1.138 485 W HN 0.416 nan 8.180 nan 0.000 0.515 486 A N 1.064 123.927 122.820 0.071 0.000 1.902 486 A HA -0.105 4.217 4.320 0.004 0.000 0.217 486 A C 2.162 179.689 177.584 -0.094 0.000 1.181 486 A CA 2.704 54.737 52.037 -0.006 0.000 0.623 486 A CB -1.288 17.774 19.000 0.104 0.000 0.818 486 A HN 0.338 nan 8.150 nan 0.000 0.443 487 A N -0.475 122.295 122.820 -0.085 0.000 1.898 487 A HA 0.241 4.563 4.320 0.004 0.000 0.216 487 A C 2.442 179.926 177.584 -0.167 0.000 1.181 487 A CA 2.000 53.979 52.037 -0.097 0.000 0.620 487 A CB -0.819 18.143 19.000 -0.064 0.000 0.819 487 A HN 1.014 nan 8.150 nan 0.000 0.442 488 A N -0.166 122.481 122.820 -0.288 0.000 1.984 488 A HA 0.096 4.419 4.320 0.004 0.000 0.214 488 A C 2.239 179.571 177.584 -0.420 0.000 1.173 488 A CA 1.574 53.401 52.037 -0.350 0.000 0.673 488 A CB -0.629 18.097 19.000 -0.456 0.000 0.830 488 A HN 0.934 nan 8.150 nan 0.000 0.453 489 S N 0.039 115.328 115.700 -0.685 0.000 2.603 489 S HA -0.059 4.414 4.470 0.004 0.000 0.220 489 S C 1.502 175.907 174.600 -0.325 0.000 0.967 489 S CA 1.168 58.889 58.200 -0.799 0.000 0.920 489 S CB -1.032 61.128 63.200 -1.734 0.000 0.773 489 S HN 0.673 nan 8.310 nan 0.000 0.529 490 T N -1.519 112.943 114.554 -0.154 0.000 3.085 490 T HA 0.154 4.506 4.350 0.004 0.000 0.263 490 T C 0.322 175.038 174.700 0.027 0.000 1.127 490 T CA -0.360 61.741 62.100 0.001 0.000 1.103 490 T CB -0.817 68.116 68.868 0.109 0.000 0.921 490 T HN 0.365 nan 8.240 nan 0.000 0.510 491 F N 4.327 124.210 119.950 -0.111 0.000 2.572 491 F HA 0.302 4.830 4.527 0.003 0.000 0.370 491 F C 0.723 176.499 175.800 -0.041 0.000 1.103 491 F CA -0.887 57.074 58.000 -0.066 0.000 1.286 491 F CB 0.560 39.497 39.000 -0.105 0.000 1.105 491 F HN 0.216 nan 8.300 nan 0.000 0.583 492 R N 4.130 124.116 120.500 -0.857 0.000 2.574 492 R HA 0.490 4.832 4.340 0.004 0.000 0.288 492 R C 0.265 176.068 176.300 -0.829 0.000 1.004 492 R CA -0.470 55.288 56.100 -0.571 0.000 0.895 492 R CB 1.167 31.306 30.300 -0.268 0.000 1.191 492 R HN 0.746 nan 8.270 nan 0.000 0.444 493 G N 1.154 109.772 108.800 -0.303 0.000 2.534 493 G HA2 -0.236 3.726 3.960 0.004 0.000 0.217 493 G HA3 -0.236 3.726 3.960 0.004 0.000 0.217 493 G C 1.199 176.066 174.900 -0.055 0.000 1.128 493 G CA 0.696 45.773 45.100 -0.039 0.000 0.784 493 G HN 0.757 nan 8.290 nan 0.000 0.542 494 S N 1.606 117.250 115.700 -0.092 0.000 2.353 494 S HA -0.166 4.307 4.470 0.004 0.000 0.222 494 S C 1.647 176.234 174.600 -0.023 0.000 1.035 494 S CA 1.789 59.959 58.200 -0.049 0.000 1.025 494 S CB -0.184 62.980 63.200 -0.061 0.000 0.902 494 S HN 0.481 nan 8.310 nan 0.000 0.440 495 D N -0.392 119.982 120.400 -0.043 0.000 2.503 495 D HA 0.199 4.841 4.640 0.004 0.000 0.218 495 D C 0.110 176.372 176.300 -0.063 0.000 1.183 495 D CA -0.232 53.770 54.000 0.003 0.000 0.827 495 D CB -0.488 40.414 40.800 0.171 0.000 1.034 495 D HN 0.453 nan 8.370 nan 0.000 0.510 496 K N 0.061 120.355 120.400 -0.177 0.000 3.160 496 K HA -0.212 4.110 4.320 0.004 0.000 0.280 496 K C -0.132 176.425 176.600 -0.071 0.000 1.154 496 K CA 0.595 56.799 56.287 -0.139 0.000 0.822 496 K CB -1.240 31.292 32.500 0.053 0.000 1.239 496 K HN 0.309 nan 8.250 nan 0.000 0.489 497 R N 0.302 120.703 120.500 -0.166 0.000 2.528 497 R HA 0.533 4.876 4.340 0.004 0.000 0.271 497 R C 0.972 177.232 176.300 -0.066 0.000 1.056 497 R CA 0.256 56.334 56.100 -0.037 0.000 1.117 497 R CB 1.149 31.459 30.300 0.017 0.000 1.085 497 R HN 0.330 nan 8.270 nan 0.000 0.530 498 G N -0.271 108.577 108.800 0.080 0.000 2.698 498 G HA2 0.209 4.171 3.960 0.004 0.000 0.225 498 G HA3 0.209 4.171 3.960 0.004 0.000 0.225 498 G C -0.062 174.984 174.900 0.244 0.000 1.345 498 G CA -0.448 44.725 45.100 0.121 0.000 0.871 498 G HN 1.144 nan 8.290 nan 0.000 0.540 499 G N -2.714 106.188 108.800 0.170 0.000 2.603 499 G HA2 0.479 4.441 3.960 0.004 0.000 0.686 499 G HA3 0.479 4.441 3.960 0.004 0.000 0.686 499 G C 0.946 175.839 174.900 -0.012 0.000 1.286 499 G CA 0.945 46.092 45.100 0.078 0.000 0.871 499 G HN 2.448 nan 8.290 nan 0.000 0.568 500 A N -0.146 122.625 122.820 -0.081 0.000 2.067 500 A HA 0.261 4.584 4.320 0.004 0.000 0.217 500 A C 1.316 178.872 177.584 -0.047 0.000 1.156 500 A CA 1.611 53.601 52.037 -0.078 0.000 0.683 500 A CB -0.313 18.621 19.000 -0.111 0.000 0.808 500 A HN 1.198 nan 8.150 nan 0.000 0.455 501 N N -0.095 118.580 118.700 -0.042 0.000 2.458 501 N HA 0.318 5.061 4.740 0.004 0.000 0.258 501 N C 1.093 176.599 175.510 -0.007 0.000 1.219 501 N CA 1.547 54.582 53.050 -0.024 0.000 0.902 501 N CB 0.552 39.025 38.487 -0.022 0.000 1.076 501 N HN 0.592 nan 8.380 nan 0.000 0.455 502 G N 2.212 111.008 108.800 -0.007 0.000 2.213 502 G HA2 -0.137 3.825 3.960 0.004 0.000 0.226 502 G HA3 -0.137 3.825 3.960 0.004 0.000 0.226 502 G C 0.459 175.350 174.900 -0.015 0.000 0.992 502 G CA 0.369 45.465 45.100 -0.007 0.000 0.632 502 G HN 1.624 nan 8.290 nan 0.000 0.511 503 A N -0.609 122.200 122.820 -0.019 0.000 2.704 503 A HA -0.279 4.043 4.320 0.004 0.000 0.299 503 A C 1.575 179.132 177.584 -0.045 0.000 1.507 503 A CA 2.311 54.332 52.037 -0.027 0.000 0.776 503 A CB -1.599 17.391 19.000 -0.016 0.000 1.027 503 A HN 1.007 nan 8.150 nan 0.000 0.475 504 R N -0.783 119.684 120.500 -0.056 0.000 2.280 504 R HA 0.111 4.453 4.340 0.004 0.000 0.207 504 R C 1.923 178.138 176.300 -0.141 0.000 1.043 504 R CA 1.015 57.064 56.100 -0.085 0.000 1.006 504 R CB -0.216 30.039 30.300 -0.075 0.000 0.885 504 R HN 0.815 nan 8.270 nan 0.000 0.467 505 I N 2.093 122.588 120.570 -0.125 0.000 2.530 505 I HA -0.290 3.882 4.170 0.004 0.000 0.257 505 I C 2.315 178.350 176.117 -0.136 0.000 1.179 505 I CA 1.298 62.508 61.300 -0.150 0.000 1.440 505 I CB -0.000 37.947 38.000 -0.089 0.000 1.087 505 I HN 0.146 nan 8.210 nan 0.000 0.440 506 R N 0.278 120.719 120.500 -0.098 0.000 2.297 506 R HA 0.116 4.459 4.340 0.004 0.000 0.197 506 R C 0.319 176.567 176.300 -0.087 0.000 0.943 506 R CA 0.120 56.174 56.100 -0.077 0.000 1.038 506 R CB -0.116 30.155 30.300 -0.048 0.000 0.957 506 R HN 0.290 nan 8.270 nan 0.000 0.484 507 L N 0.762 121.916 121.223 -0.115 0.000 2.331 507 L HA 0.578 4.920 4.340 0.004 0.000 0.268 507 L C 0.162 176.944 176.870 -0.147 0.000 1.015 507 L CA -1.432 53.345 54.840 -0.104 0.000 0.807 507 L CB 1.474 43.480 42.059 -0.087 0.000 1.293 507 L HN 0.030 nan 8.230 nan 0.000 0.451 508 A N 1.559 124.313 122.820 -0.109 0.000 2.462 508 A HA 0.332 4.654 4.320 0.004 0.000 0.243 508 A C -1.807 175.690 177.584 -0.145 0.000 1.076 508 A CA -0.780 51.185 52.037 -0.121 0.000 0.773 508 A CB -0.163 18.805 19.000 -0.053 0.000 1.010 508 A HN 0.602 nan 8.150 nan 0.000 0.493 509 P HA 0.009 nan 4.420 nan 0.000 0.257 509 P C 0.783 177.611 177.300 -0.786 0.000 1.241 509 P CA 0.456 63.398 63.100 -0.264 0.000 0.816 509 P CB 0.364 32.071 31.700 0.011 0.000 1.150 510 Q N 1.374 120.557 119.800 -1.027 0.000 2.135 510 Q HA -0.174 4.169 4.340 0.004 0.000 0.204 510 Q C 2.120 177.696 176.000 -0.707 0.000 0.981 510 Q CA 1.790 56.718 55.803 -1.459 0.000 0.856 510 Q CB -0.470 27.700 28.738 -0.946 0.000 0.902 510 Q HN 0.464 nan 8.270 nan 0.000 0.425 511 K N 0.274 120.438 120.400 -0.394 0.000 2.360 511 K HA -0.136 4.187 4.320 0.004 0.000 0.201 511 K C 0.559 177.091 176.600 -0.113 0.000 1.046 511 K CA 1.551 57.722 56.287 -0.192 0.000 0.945 511 K CB 0.193 32.616 32.500 -0.128 0.000 0.750 511 K HN 0.103 nan 8.250 nan 0.000 0.464 512 D N -0.348 119.974 120.400 -0.130 0.000 2.369 512 D HA 0.009 4.652 4.640 0.004 0.000 0.211 512 D C -0.302 176.089 176.300 0.151 0.000 1.077 512 D CA -0.044 53.960 54.000 0.006 0.000 0.842 512 D CB 0.123 40.934 40.800 0.019 0.000 0.947 512 D HN 0.165 nan 8.370 nan 0.000 0.509 513 W N 2.403 123.711 121.300 0.013 0.000 2.216 513 W HA 0.118 4.785 4.660 0.012 0.000 0.326 513 W C 1.805 178.320 176.519 -0.007 0.000 1.319 513 W CA -1.050 56.302 57.345 0.013 0.000 1.213 513 W CB 0.453 29.915 29.460 0.003 0.000 1.171 513 W HN 0.065 nan 8.180 nan 0.000 0.557 514 E N 2.647 122.977 120.200 0.217 0.000 2.070 514 E HA -0.250 4.102 4.350 0.004 0.000 0.197 514 E C 2.030 178.588 176.600 -0.069 0.000 1.004 514 E CA 2.149 58.613 56.400 0.108 0.000 0.805 514 E CB 0.085 29.893 29.700 0.180 0.000 0.744 514 E HN 0.489 nan 8.360 nan 0.000 0.451 515 A N 0.890 123.544 122.820 -0.277 0.000 2.024 515 A HA -0.188 4.135 4.320 0.004 0.000 0.220 515 A C 1.731 179.217 177.584 -0.164 0.000 1.164 515 A CA 1.618 53.281 52.037 -0.624 0.000 0.643 515 A CB -0.458 18.182 19.000 -0.599 0.000 0.806 515 A HN 0.273 nan 8.150 nan 0.000 0.451 516 N N -0.145 118.571 118.700 0.028 0.000 2.461 516 N HA 0.032 4.774 4.740 0.004 0.000 0.188 516 N C -0.451 175.089 175.510 0.050 0.000 1.134 516 N CA 0.438 53.535 53.050 0.078 0.000 0.878 516 N CB -0.169 38.392 38.487 0.123 0.000 0.972 516 N HN 0.573 nan 8.380 nan 0.000 0.456 517 Q N -1.138 118.682 119.800 0.033 0.000 2.457 517 Q HA -0.152 4.190 4.340 0.004 0.000 0.333 517 Q C -1.844 174.179 176.000 0.038 0.000 1.448 517 Q CA -0.181 55.644 55.803 0.036 0.000 0.891 517 Q CB -1.225 27.535 28.738 0.037 0.000 1.142 517 Q HN 0.283 nan 8.270 nan 0.000 0.375 518 P HA -0.247 nan 4.420 nan 0.000 0.216 518 P C 1.133 178.447 177.300 0.023 0.000 1.154 518 P CA 1.321 64.439 63.100 0.030 0.000 0.865 518 P CB 0.174 31.896 31.700 0.037 0.000 0.789 519 E N -0.549 119.667 120.200 0.027 0.000 2.072 519 E HA -0.211 4.142 4.350 0.004 0.000 0.191 519 E C 2.125 178.738 176.600 0.021 0.000 0.985 519 E CA 0.991 57.405 56.400 0.023 0.000 0.801 519 E CB -0.614 29.102 29.700 0.025 0.000 0.750 519 E HN 0.443 nan 8.360 nan 0.000 0.452 520 Q N 0.672 120.487 119.800 0.026 0.000 2.084 520 Q HA -0.164 4.178 4.340 0.004 0.000 0.202 520 Q C 2.361 178.375 176.000 0.025 0.000 0.978 520 Q CA 0.953 56.772 55.803 0.026 0.000 0.844 520 Q CB -0.096 28.662 28.738 0.032 0.000 0.898 520 Q HN 0.161 nan 8.270 nan 0.000 0.426 521 L N 0.906 122.144 121.223 0.025 0.000 2.012 521 L HA -0.148 4.194 4.340 0.004 0.000 0.210 521 L C 2.280 179.156 176.870 0.010 0.000 1.073 521 L CA 2.345 57.197 54.840 0.020 0.000 0.748 521 L CB -0.946 41.122 42.059 0.014 0.000 0.891 521 L HN 0.278 nan 8.230 nan 0.000 0.431 522 A N -0.493 122.331 122.820 0.007 0.000 1.883 522 A HA -0.161 4.161 4.320 0.004 0.000 0.217 522 A C 2.463 180.050 177.584 0.005 0.000 1.186 522 A CA 2.117 54.155 52.037 0.002 0.000 0.624 522 A CB -1.274 17.728 19.000 0.003 0.000 0.822 522 A HN 0.611 nan 8.150 nan 0.000 0.444 523 A N -0.688 122.138 122.820 0.009 0.000 1.902 523 A HA 0.007 4.329 4.320 0.004 0.000 0.217 523 A C 2.241 179.831 177.584 0.009 0.000 1.181 523 A CA 1.816 53.859 52.037 0.010 0.000 0.623 523 A CB -0.926 18.082 19.000 0.012 0.000 0.818 523 A HN 0.409 nan 8.150 nan 0.000 0.443 524 V N 0.201 120.122 119.914 0.013 0.000 2.343 524 V HA -0.240 3.883 4.120 0.004 0.000 0.247 524 V C 2.536 178.635 176.094 0.008 0.000 1.051 524 V CA 1.897 64.205 62.300 0.013 0.000 1.036 524 V CB -0.756 31.080 31.823 0.022 0.000 0.654 524 V HN 0.565 nan 8.190 nan 0.000 0.451 525 L N -0.189 121.036 121.223 0.005 0.000 2.141 525 L HA -0.174 4.169 4.340 0.004 0.000 0.209 525 L C 2.560 179.429 176.870 -0.001 0.000 1.094 525 L CA 1.740 56.580 54.840 -0.001 0.000 0.763 525 L CB -0.572 41.483 42.059 -0.007 0.000 0.908 525 L HN 0.448 nan 8.230 nan 0.000 0.437 526 E N 0.057 120.258 120.200 0.001 0.000 2.051 526 E HA -0.207 4.145 4.350 0.004 0.000 0.192 526 E C 1.974 178.575 176.600 0.002 0.000 0.991 526 E CA 1.887 58.288 56.400 0.001 0.000 0.799 526 E CB 0.119 29.821 29.700 0.003 0.000 0.748 526 E HN 0.361 nan 8.360 nan 0.000 0.449 527 T N 1.377 115.933 114.554 0.003 0.000 2.737 527 T HA -0.102 4.250 4.350 0.004 0.000 0.265 527 T C 1.886 176.586 174.700 -0.001 0.000 1.038 527 T CA 1.083 63.184 62.100 0.002 0.000 1.144 527 T CB -0.165 68.705 68.868 0.003 0.000 0.866 527 T HN 0.152 nan 8.240 nan 0.000 0.434 528 L N 0.710 121.931 121.223 -0.004 0.000 2.083 528 L HA -0.087 4.255 4.340 0.004 0.000 0.209 528 L C 2.791 179.656 176.870 -0.007 0.000 1.083 528 L CA 1.266 56.099 54.840 -0.011 0.000 0.752 528 L CB -0.476 41.575 42.059 -0.013 0.000 0.899 528 L HN 0.227 nan 8.230 nan 0.000 0.433 529 E N 0.581 120.779 120.200 -0.002 0.000 2.150 529 E HA -0.170 4.183 4.350 0.004 0.000 0.193 529 E C 2.081 178.686 176.600 0.009 0.000 0.985 529 E CA 1.357 57.758 56.400 0.002 0.000 0.814 529 E CB -0.031 29.670 29.700 0.001 0.000 0.752 529 E HN 0.364 nan 8.360 nan 0.000 0.466 530 A N 0.378 123.203 122.820 0.009 0.000 1.930 530 A HA -0.096 4.227 4.320 0.004 0.000 0.217 530 A C 2.308 179.906 177.584 0.023 0.000 1.175 530 A CA 1.317 53.362 52.037 0.014 0.000 0.627 530 A CB -0.615 18.391 19.000 0.010 0.000 0.815 530 A HN 0.339 nan 8.150 nan 0.000 0.443 531 I N -1.048 119.533 120.570 0.019 0.000 2.226 531 I HA -0.252 3.921 4.170 0.004 0.000 0.245 531 I C 2.732 178.882 176.117 0.054 0.000 1.100 531 I CA 1.587 62.904 61.300 0.028 0.000 1.374 531 I CB -0.284 37.715 38.000 -0.001 0.000 1.057 531 I HN 0.353 nan 8.210 nan 0.000 0.413 532 R N 0.401 120.921 120.500 0.033 0.000 2.073 532 R HA -0.152 4.191 4.340 0.004 0.000 0.234 532 R C 2.296 178.653 176.300 0.095 0.000 1.134 532 R CA 2.046 58.178 56.100 0.053 0.000 0.952 532 R CB -0.272 30.039 30.300 0.017 0.000 0.850 532 R HN 0.257 nan 8.270 nan 0.000 0.433 533 T N 0.622 115.210 114.554 0.056 0.000 2.746 533 T HA -0.115 4.237 4.350 0.004 0.000 0.267 533 T C 1.775 176.505 174.700 0.050 0.000 1.039 533 T CA 1.389 63.515 62.100 0.043 0.000 1.142 533 T CB -0.253 68.629 68.868 0.023 0.000 0.866 533 T HN 0.445 nan 8.240 nan 0.000 0.444 534 A N 0.826 123.682 122.820 0.061 0.000 1.902 534 A HA -0.003 4.319 4.320 0.004 0.000 0.217 534 A C 2.023 179.649 177.584 0.070 0.000 1.181 534 A CA 1.290 53.358 52.037 0.052 0.000 0.623 534 A CB -0.932 18.100 19.000 0.054 0.000 0.818 534 A HN 0.501 nan 8.150 nan 0.000 0.443 535 F N 1.340 121.278 119.950 -0.019 0.000 2.113 535 F HA -0.183 4.346 4.527 0.003 0.000 0.297 535 F C 2.014 177.799 175.800 -0.025 0.000 1.103 535 F CA 2.062 60.050 58.000 -0.020 0.000 1.248 535 F CB -0.189 38.798 39.000 -0.020 0.000 0.999 535 F HN 0.195 nan 8.300 nan 0.000 0.475 536 N N 0.570 119.341 118.700 0.118 0.000 2.188 536 N HA -0.094 4.649 4.740 0.004 0.000 0.184 536 N C 2.058 177.514 175.510 -0.090 0.000 1.018 536 N CA 1.314 54.368 53.050 0.007 0.000 0.858 536 N CB -1.170 37.350 38.487 0.055 0.000 0.989 536 N HN 0.467 nan 8.380 nan 0.000 0.426 537 G N 0.007 108.771 108.800 -0.061 0.000 2.443 537 G HA2 -0.078 3.884 3.960 0.004 0.000 0.219 537 G HA3 -0.078 3.884 3.960 0.004 0.000 0.219 537 G C 1.372 176.213 174.900 -0.099 0.000 1.131 537 G CA 0.844 45.906 45.100 -0.063 0.000 0.775 537 G HN 0.426 nan 8.290 nan 0.000 0.547 538 A N -0.740 121.986 122.820 -0.156 0.000 2.218 538 A HA 0.291 4.614 4.320 0.004 0.000 0.209 538 A C 1.340 178.789 177.584 -0.225 0.000 1.168 538 A CA 0.236 52.167 52.037 -0.177 0.000 0.804 538 A CB 0.035 18.922 19.000 -0.188 0.000 0.834 538 A HN 0.294 nan 8.150 nan 0.000 0.482 539 Q N 0.437 120.075 119.800 -0.269 0.000 2.312 539 Q HA 0.428 4.770 4.340 0.004 0.000 0.236 539 Q C -0.284 175.635 176.000 -0.134 0.000 0.965 539 Q CA 0.066 55.720 55.803 -0.248 0.000 0.894 539 Q CB 0.714 29.290 28.738 -0.269 0.000 1.225 539 Q HN 0.232 nan 8.270 nan 0.000 0.478 540 R N -0.978 119.461 120.500 -0.102 0.000 2.854 540 R HA 0.549 4.892 4.340 0.004 0.000 0.271 540 R C 0.405 176.684 176.300 -0.036 0.000 0.996 540 R CA -0.243 55.821 56.100 -0.059 0.000 0.961 540 R CB 1.286 31.557 30.300 -0.048 0.000 1.182 540 R HN 0.856 nan 8.270 nan 0.000 0.479 541 G N -0.121 108.667 108.800 -0.020 0.000 2.160 541 G HA2 -0.233 3.729 3.960 0.004 0.000 0.251 541 G HA3 -0.233 3.729 3.960 0.004 0.000 0.251 541 G C 0.808 175.715 174.900 0.011 0.000 1.008 541 G CA 0.871 45.969 45.100 -0.002 0.000 0.724 541 G HN 1.273 nan 8.290 nan 0.000 0.514 542 G N -0.792 108.008 108.800 0.001 0.000 2.184 542 G HA2 -0.314 3.649 3.960 0.004 0.000 0.264 542 G HA3 -0.314 3.649 3.960 0.004 0.000 0.264 542 G C 0.465 175.376 174.900 0.018 0.000 0.975 542 G CA 1.436 46.544 45.100 0.014 0.000 0.642 542 G HN 1.476 nan 8.290 nan 0.000 0.536 543 K N 0.840 121.252 120.400 0.019 0.000 2.448 543 K HA 0.385 4.708 4.320 0.004 0.000 0.278 543 K C 0.563 177.142 176.600 -0.036 0.000 1.009 543 K CA 0.785 57.099 56.287 0.045 0.000 0.995 543 K CB 0.110 32.649 32.500 0.066 0.000 0.917 543 K HN 0.714 nan 8.250 nan 0.000 0.481 544 Q N 1.083 120.813 119.800 -0.117 0.000 2.534 544 Q HA 0.485 4.827 4.340 0.004 0.000 0.290 544 Q C -1.923 174.056 176.000 -0.036 0.000 0.991 544 Q CA -1.130 54.600 55.803 -0.122 0.000 0.783 544 Q CB 1.799 30.337 28.738 -0.334 0.000 1.470 544 Q HN 0.306 nan 8.270 nan 0.000 0.406 545 V N 1.721 121.680 119.914 0.075 0.000 2.513 545 V HA 0.685 4.808 4.120 0.004 0.000 0.299 545 V C -0.476 175.635 176.094 0.028 0.000 1.035 545 V CA 0.030 62.358 62.300 0.047 0.000 0.889 545 V CB 1.936 33.709 31.823 -0.084 0.000 0.988 545 V HN 0.992 nan 8.190 nan 0.000 0.440 546 S N 5.696 121.439 115.700 0.071 0.000 2.614 546 S HA 0.247 4.719 4.470 0.004 0.000 0.265 546 S C 0.804 175.421 174.600 0.029 0.000 1.303 546 S CA -0.303 57.933 58.200 0.059 0.000 1.000 546 S CB 1.324 64.578 63.200 0.090 0.000 0.935 546 S HN 0.803 nan 8.310 nan 0.000 0.551 547 L N 1.694 122.928 121.223 0.018 0.000 2.141 547 L HA 0.116 4.459 4.340 0.004 0.000 0.209 547 L C 2.551 179.427 176.870 0.010 0.000 1.094 547 L CA 2.087 56.930 54.840 0.004 0.000 0.763 547 L CB -1.549 40.509 42.059 -0.001 0.000 0.908 547 L HN 0.955 nan 8.230 nan 0.000 0.437 548 A N -0.720 122.113 122.820 0.020 0.000 1.883 548 A HA -0.252 4.071 4.320 0.004 0.000 0.217 548 A C 2.058 179.674 177.584 0.052 0.000 1.186 548 A CA 2.047 54.097 52.037 0.021 0.000 0.624 548 A CB -0.865 18.145 19.000 0.016 0.000 0.822 548 A HN 0.481 nan 8.150 nan 0.000 0.444 549 D N -0.676 119.777 120.400 0.088 0.000 2.117 549 D HA -0.117 4.525 4.640 0.004 0.000 0.197 549 D C 1.835 178.196 176.300 0.102 0.000 0.987 549 D CA 1.202 55.321 54.000 0.199 0.000 0.829 549 D CB -0.362 40.587 40.800 0.249 0.000 0.961 549 D HN 0.299 nan 8.370 nan 0.000 0.460 550 L N 0.762 121.982 121.223 -0.004 0.000 2.093 550 L HA -0.057 4.285 4.340 0.004 0.000 0.208 550 L C 2.114 178.943 176.870 -0.068 0.000 1.085 550 L CA 1.169 55.954 54.840 -0.092 0.000 0.755 550 L CB -0.510 41.496 42.059 -0.089 0.000 0.904 550 L HN 0.022 nan 8.230 nan 0.000 0.435 551 I N -1.726 118.834 120.570 -0.015 0.000 2.163 551 I HA -0.324 3.848 4.170 0.004 0.000 0.243 551 I C 2.320 178.456 176.117 0.032 0.000 1.085 551 I CA 1.382 62.687 61.300 0.007 0.000 1.347 551 I CB -0.407 37.600 38.000 0.011 0.000 1.044 551 I HN 0.066 nan 8.210 nan 0.000 0.408 552 V N 0.464 120.409 119.914 0.052 0.000 2.295 552 V HA -0.269 3.853 4.120 0.004 0.000 0.246 552 V C 2.356 178.485 176.094 0.058 0.000 1.049 552 V CA 1.633 63.998 62.300 0.109 0.000 1.024 552 V CB -0.542 31.398 31.823 0.194 0.000 0.648 552 V HN 0.348 nan 8.190 nan 0.000 0.447 553 L N 0.885 121.974 121.223 -0.224 0.000 2.046 553 L HA -0.095 4.247 4.340 0.004 0.000 0.208 553 L C 2.459 179.197 176.870 -0.220 0.000 1.077 553 L CA 2.357 56.862 54.840 -0.558 0.000 0.747 553 L CB -0.977 40.511 42.059 -0.953 0.000 0.896 553 L HN 0.235 nan 8.230 nan 0.000 0.432 554 A N -0.637 122.109 122.820 -0.123 0.000 1.933 554 A HA -0.094 4.229 4.320 0.004 0.000 0.218 554 A C 2.358 179.963 177.584 0.035 0.000 1.175 554 A CA 1.553 53.561 52.037 -0.048 0.000 0.628 554 A CB -1.574 17.408 19.000 -0.029 0.000 0.814 554 A HN 0.530 nan 8.150 nan 0.000 0.444 555 G N -0.709 108.170 108.800 0.132 0.000 2.446 555 G HA2 -0.308 3.654 3.960 0.004 0.000 0.217 555 G HA3 -0.308 3.654 3.960 0.004 0.000 0.217 555 G C 1.599 176.662 174.900 0.272 0.000 1.168 555 G CA 1.369 46.660 45.100 0.317 0.000 0.771 555 G HN 0.534 nan 8.290 nan 0.000 0.551 556 C N 0.948 120.414 119.300 0.277 0.000 2.429 556 C HA 0.156 4.619 4.460 0.004 0.000 0.277 556 C C 3.549 178.554 174.990 0.024 0.000 1.262 556 C CA 0.774 59.908 59.018 0.193 0.000 1.733 556 C CB -1.057 26.797 27.740 0.189 0.000 2.010 556 C HN 0.582 nan 8.230 nan 0.000 0.483 557 A N 0.979 123.791 122.820 -0.014 0.000 1.908 557 A HA 0.025 4.348 4.320 0.004 0.000 0.218 557 A C 2.408 179.965 177.584 -0.046 0.000 1.181 557 A CA 2.162 54.176 52.037 -0.038 0.000 0.627 557 A CB -1.274 17.694 19.000 -0.052 0.000 0.818 557 A HN 0.559 nan 8.150 nan 0.000 0.445 558 G N -0.495 108.278 108.800 -0.045 0.000 2.446 558 G HA2 -0.156 3.807 3.960 0.004 0.000 0.217 558 G HA3 -0.156 3.807 3.960 0.004 0.000 0.217 558 G C 1.523 176.339 174.900 -0.141 0.000 1.168 558 G CA 1.367 46.421 45.100 -0.077 0.000 0.771 558 G HN 0.341 nan 8.290 nan 0.000 0.551 559 V N 0.771 120.558 119.914 -0.212 0.000 2.295 559 V HA -0.179 3.943 4.120 0.004 0.000 0.246 559 V C 2.675 178.679 176.094 -0.150 0.000 1.049 559 V CA 2.242 64.378 62.300 -0.274 0.000 1.024 559 V CB -0.627 30.925 31.823 -0.452 0.000 0.648 559 V HN 0.471 nan 8.190 nan 0.000 0.447 560 E N -0.175 119.971 120.200 -0.090 0.000 2.070 560 E HA -0.342 4.010 4.350 0.004 0.000 0.197 560 E C 2.273 178.849 176.600 -0.040 0.000 1.004 560 E CA 1.725 58.098 56.400 -0.045 0.000 0.805 560 E CB -0.183 29.504 29.700 -0.022 0.000 0.744 560 E HN 0.528 nan 8.360 nan 0.000 0.451 561 Q N 0.762 120.533 119.800 -0.048 0.000 2.084 561 Q HA -0.120 4.223 4.340 0.004 0.000 0.202 561 Q C 1.942 177.914 176.000 -0.046 0.000 0.978 561 Q CA 1.816 57.596 55.803 -0.038 0.000 0.844 561 Q CB -0.343 28.372 28.738 -0.038 0.000 0.898 561 Q HN 0.254 nan 8.270 nan 0.000 0.426 562 A N 0.219 122.991 122.820 -0.079 0.000 1.933 562 A HA -0.074 4.248 4.320 0.004 0.000 0.218 562 A C 2.275 179.819 177.584 -0.067 0.000 1.175 562 A CA 1.894 53.876 52.037 -0.092 0.000 0.628 562 A CB -1.138 17.767 19.000 -0.158 0.000 0.814 562 A HN 0.521 nan 8.150 nan 0.000 0.444 563 A N -0.212 122.570 122.820 -0.063 0.000 1.898 563 A HA -0.157 4.165 4.320 0.004 0.000 0.216 563 A C 2.133 179.753 177.584 0.059 0.000 1.181 563 A CA 1.959 53.987 52.037 -0.016 0.000 0.620 563 A CB -0.473 18.517 19.000 -0.016 0.000 0.819 563 A HN 0.556 nan 8.150 nan 0.000 0.442 564 K N -0.297 120.122 120.400 0.033 0.000 2.063 564 K HA -0.220 4.102 4.320 0.004 0.000 0.208 564 K C 1.612 178.233 176.600 0.035 0.000 1.048 564 K CA 1.693 58.002 56.287 0.036 0.000 0.928 564 K CB -0.246 32.263 32.500 0.014 0.000 0.713 564 K HN 0.403 nan 8.250 nan 0.000 0.442 565 N N 0.516 119.227 118.700 0.018 0.000 2.205 565 N HA -0.159 4.583 4.740 0.004 0.000 0.186 565 N C 1.187 176.720 175.510 0.038 0.000 1.015 565 N CA 1.398 54.457 53.050 0.016 0.000 0.862 565 N CB -0.212 38.273 38.487 -0.004 0.000 0.986 565 N HN 0.315 nan 8.380 nan 0.000 0.429 566 A N -0.654 122.209 122.820 0.071 0.000 2.307 566 A HA 0.483 4.806 4.320 0.004 0.000 0.218 566 A C 1.351 179.049 177.584 0.189 0.000 1.228 566 A CA 0.525 52.641 52.037 0.131 0.000 0.857 566 A CB -0.258 18.832 19.000 0.149 0.000 0.897 566 A HN 0.273 nan 8.150 nan 0.000 0.495 567 G N -0.674 108.190 108.800 0.107 0.000 2.136 567 G HA2 -0.210 3.752 3.960 0.004 0.000 0.242 567 G HA3 -0.210 3.752 3.960 0.004 0.000 0.242 567 G C -0.068 174.793 174.900 -0.065 0.000 0.989 567 G CA 0.309 45.418 45.100 0.016 0.000 0.682 567 G HN 0.712 nan 8.290 nan 0.000 0.522 568 H N -0.272 118.806 119.070 0.013 0.000 2.492 568 H HA 0.607 5.166 4.556 0.004 0.000 0.345 568 H C 0.224 175.558 175.328 0.010 0.000 1.136 568 H CA 0.021 56.079 56.048 0.016 0.000 1.202 568 H CB 1.980 31.756 29.762 0.023 0.000 1.524 568 H HN 0.446 nan 8.280 nan 0.000 0.506 569 A N 3.931 126.814 122.820 0.106 0.000 2.366 569 A HA 0.454 4.777 4.320 0.004 0.000 0.322 569 A C -0.381 177.248 177.584 0.075 0.000 1.397 569 A CA -0.449 51.628 52.037 0.066 0.000 0.984 569 A CB -0.211 18.810 19.000 0.036 0.000 1.149 569 A HN 0.362 nan 8.150 nan 0.000 0.540 570 V N 1.965 121.917 119.914 0.063 0.000 2.588 570 V HA 0.516 4.638 4.120 0.004 0.000 0.304 570 V C 0.214 176.330 176.094 0.037 0.000 1.042 570 V CA -0.420 61.911 62.300 0.052 0.000 0.877 570 V CB 2.154 34.002 31.823 0.040 0.000 0.996 570 V HN 0.795 nan 8.190 nan 0.000 0.425 571 T N 4.214 118.792 114.554 0.040 0.000 2.771 571 T HA 0.599 4.951 4.350 0.004 0.000 0.281 571 T C -0.695 174.037 174.700 0.054 0.000 0.982 571 T CA -0.241 61.884 62.100 0.042 0.000 0.978 571 T CB 1.081 69.974 68.868 0.042 0.000 0.930 571 T HN 0.382 nan 8.240 nan 0.000 0.447 572 V N 8.887 128.841 119.914 0.066 0.000 2.407 572 V HA 0.401 4.523 4.120 0.004 0.000 0.278 572 V C -1.842 174.332 176.094 0.134 0.000 1.037 572 V CA -1.749 60.613 62.300 0.104 0.000 0.900 572 V CB 1.163 33.061 31.823 0.124 0.000 0.983 572 V HN 0.791 nan 8.190 nan 0.000 0.459 573 P HA 0.288 nan 4.420 nan 0.000 0.269 573 P C -1.050 176.372 177.300 0.204 0.000 1.215 573 P CA -0.058 63.114 63.100 0.119 0.000 0.780 573 P CB 0.421 32.156 31.700 0.058 0.000 0.898 574 F N 0.971 120.926 119.950 0.008 0.000 2.588 574 F HA 0.609 5.138 4.527 0.004 0.000 0.314 574 F C -1.564 174.222 175.800 -0.024 0.000 1.134 574 F CA -0.896 57.101 58.000 -0.005 0.000 0.961 574 F CB 1.573 40.577 39.000 0.005 0.000 1.239 574 F HN 0.405 nan 8.300 nan 0.000 0.448 575 A N 8.014 130.224 122.820 -1.016 0.000 2.285 575 A HA 0.737 5.059 4.320 0.004 0.000 0.310 575 A C -2.829 174.102 177.584 -1.089 0.000 1.266 575 A CA -1.620 49.947 52.037 -0.783 0.000 0.832 575 A CB 0.396 19.132 19.000 -0.439 0.000 1.163 575 A HN 0.485 nan 8.150 nan 0.000 0.499 576 P HA 0.488 nan 4.420 nan 0.000 0.275 576 P C 0.726 177.905 177.300 -0.202 0.000 1.266 576 P CA 0.902 63.788 63.100 -0.357 0.000 0.793 576 P CB 1.048 32.750 31.700 0.003 0.000 1.074 577 G N -1.053 107.699 108.800 -0.080 0.000 2.227 577 G HA2 -0.134 3.829 3.960 0.004 0.000 0.168 577 G HA3 -0.134 3.829 3.960 0.004 0.000 0.168 577 G C 0.168 175.034 174.900 -0.057 0.000 1.006 577 G CA -0.543 44.513 45.100 -0.073 0.000 0.684 577 G HN 0.523 nan 8.290 nan 0.000 0.489 578 R N 0.668 121.146 120.500 -0.037 0.000 2.594 578 R HA 0.626 4.968 4.340 0.004 0.000 0.272 578 R C 0.521 176.832 176.300 0.018 0.000 1.074 578 R CA 0.678 56.767 56.100 -0.019 0.000 1.105 578 R CB 0.906 31.200 30.300 -0.010 0.000 1.008 578 R HN 0.490 nan 8.270 nan 0.000 0.472 579 A N 1.625 124.452 122.820 0.011 0.000 2.350 579 A HA 0.394 4.716 4.320 0.004 0.000 0.318 579 A C -1.152 176.445 177.584 0.022 0.000 1.132 579 A CA -0.915 51.141 52.037 0.032 0.000 0.811 579 A CB 1.154 20.163 19.000 0.015 0.000 1.313 579 A HN 0.600 nan 8.150 nan 0.000 0.454 580 D N 1.248 121.664 120.400 0.028 0.000 2.274 580 D HA 0.520 5.163 4.640 0.004 0.000 0.239 580 D C 0.201 176.504 176.300 0.004 0.000 1.104 580 D CA 0.355 54.362 54.000 0.012 0.000 0.840 580 D CB 1.621 42.429 40.800 0.014 0.000 1.100 580 D HN 0.698 nan 8.370 nan 0.000 0.477 581 A N 2.022 124.839 122.820 -0.005 0.000 2.304 581 A HA 0.525 4.847 4.320 0.004 0.000 0.271 581 A C 0.681 178.258 177.584 -0.011 0.000 1.091 581 A CA -0.511 51.520 52.037 -0.010 0.000 0.812 581 A CB 0.445 19.438 19.000 -0.013 0.000 1.056 581 A HN 0.527 nan 8.150 nan 0.000 0.489 582 S N 0.249 115.943 115.700 -0.010 0.000 2.693 582 S HA 0.287 4.760 4.470 0.004 0.000 0.276 582 S C 0.845 175.438 174.600 -0.012 0.000 1.192 582 S CA 0.029 58.224 58.200 -0.010 0.000 0.994 582 S CB 1.087 64.284 63.200 -0.006 0.000 1.012 582 S HN 0.728 nan 8.310 nan 0.000 0.550 583 Q N 0.557 120.350 119.800 -0.012 0.000 2.135 583 Q HA -0.124 4.218 4.340 0.004 0.000 0.204 583 Q C 1.572 177.571 176.000 -0.002 0.000 0.981 583 Q CA 2.083 57.880 55.803 -0.011 0.000 0.856 583 Q CB -0.537 28.194 28.738 -0.011 0.000 0.902 583 Q HN 0.866 nan 8.270 nan 0.000 0.425 584 E N -0.191 120.009 120.200 0.001 0.000 2.268 584 E HA -0.127 4.225 4.350 0.004 0.000 0.195 584 E C 1.283 177.887 176.600 0.007 0.000 0.995 584 E CA 0.925 57.329 56.400 0.007 0.000 0.836 584 E CB 0.057 29.761 29.700 0.006 0.000 0.763 584 E HN 0.495 nan 8.360 nan 0.000 0.491 585 Q N -0.254 119.546 119.800 -0.001 0.000 2.365 585 Q HA 0.106 4.449 4.340 0.004 0.000 0.203 585 Q C -0.388 175.613 176.000 0.002 0.000 0.929 585 Q CA 0.418 56.218 55.803 -0.006 0.000 0.948 585 Q CB 0.673 29.401 28.738 -0.016 0.000 1.043 585 Q HN -0.017 nan 8.270 nan 0.000 0.505 586 T N 1.021 115.581 114.554 0.009 0.000 2.934 586 T HA 0.063 4.416 4.350 0.004 0.000 0.328 586 T C -0.987 173.733 174.700 0.033 0.000 1.068 586 T CA -0.751 61.359 62.100 0.016 0.000 1.018 586 T CB 0.956 69.821 68.868 -0.005 0.000 1.009 586 T HN 0.012 nan 8.240 nan 0.000 0.471 587 D N 3.323 123.758 120.400 0.058 0.000 2.342 587 D HA 0.053 4.695 4.640 0.004 0.000 0.260 587 D C 1.234 177.584 176.300 0.083 0.000 1.278 587 D CA -0.204 53.843 54.000 0.079 0.000 0.910 587 D CB 0.950 41.816 40.800 0.111 0.000 1.079 587 D HN 0.183 nan 8.370 nan 0.000 0.496 588 V N 4.571 124.528 119.914 0.071 0.000 2.407 588 V HA -0.189 3.934 4.120 0.004 0.000 0.248 588 V C 2.140 178.302 176.094 0.112 0.000 1.055 588 V CA 1.442 63.787 62.300 0.076 0.000 1.049 588 V CB -0.250 31.608 31.823 0.057 0.000 0.662 588 V HN 0.546 nan 8.190 nan 0.000 0.455 589 E N -0.404 119.861 120.200 0.107 0.000 2.107 589 E HA -0.128 4.224 4.350 0.004 0.000 0.191 589 E C 2.419 179.096 176.600 0.128 0.000 0.982 589 E CA 1.368 57.837 56.400 0.115 0.000 0.809 589 E CB -0.560 29.200 29.700 0.100 0.000 0.756 589 E HN 0.519 nan 8.360 nan 0.000 0.459 590 S N 0.521 116.301 115.700 0.133 0.000 2.402 590 S HA -0.119 4.354 4.470 0.004 0.000 0.229 590 S C 1.851 176.545 174.600 0.158 0.000 1.021 590 S CA 0.892 59.179 58.200 0.145 0.000 0.974 590 S CB -0.062 63.235 63.200 0.161 0.000 0.800 590 S HN 0.074 nan 8.310 nan 0.000 0.484 591 M N 1.751 121.454 119.600 0.171 0.000 2.374 591 M HA 0.215 4.698 4.480 0.004 0.000 0.264 591 M C 1.814 178.325 176.300 0.351 0.000 1.067 591 M CA 1.110 56.550 55.300 0.232 0.000 1.103 591 M CB -0.819 31.887 32.600 0.177 0.000 1.402 591 M HN 0.332 nan 8.290 nan 0.000 0.444 592 A N -0.485 122.499 122.820 0.274 0.000 1.940 592 A HA -0.140 4.182 4.320 0.004 0.000 0.219 592 A C 2.065 179.698 177.584 0.082 0.000 1.176 592 A CA 2.064 54.243 52.037 0.237 0.000 0.631 592 A CB -1.564 17.533 19.000 0.161 0.000 0.814 592 A HN 0.623 nan 8.150 nan 0.000 0.446 593 V N -2.480 117.476 119.914 0.071 0.000 3.141 593 V HA -0.015 4.107 4.120 0.004 0.000 0.265 593 V C 1.813 177.879 176.094 -0.047 0.000 1.126 593 V CA 1.550 63.846 62.300 -0.006 0.000 1.141 593 V CB -0.815 31.012 31.823 0.006 0.000 0.743 593 V HN 0.453 nan 8.190 nan 0.000 0.492 594 L N 0.321 121.553 121.223 0.014 0.000 2.591 594 L HA 0.246 4.588 4.340 0.004 0.000 0.228 594 L C 1.323 177.990 176.870 -0.337 0.000 1.133 594 L CA 0.263 55.097 54.840 -0.010 0.000 0.880 594 L CB -0.308 41.874 42.059 0.205 0.000 1.033 594 L HN 0.436 nan 8.230 nan 0.000 0.450 595 E N 3.417 123.162 120.200 -0.758 0.000 2.417 595 E HA 0.031 4.384 4.350 0.004 0.000 0.261 595 E C -2.057 174.150 176.600 -0.655 0.000 1.000 595 E CA -1.645 53.859 56.400 -1.494 0.000 0.919 595 E CB 0.696 29.574 29.700 -1.370 0.000 0.955 595 E HN -0.027 nan 8.360 nan 0.000 0.455 596 P HA -0.015 nan 4.420 nan 0.000 0.280 596 P C 0.525 177.838 177.300 0.022 0.000 1.300 596 P CA -0.089 62.938 63.100 -0.123 0.000 0.785 596 P CB 1.130 32.837 31.700 0.012 0.000 0.874 597 V N 1.133 121.054 119.914 0.013 0.000 3.174 597 V HA 0.441 4.564 4.120 0.004 0.000 0.254 597 V C 0.743 176.907 176.094 0.117 0.000 1.120 597 V CA 0.744 63.114 62.300 0.117 0.000 1.114 597 V CB -0.665 31.175 31.823 0.029 0.000 0.756 597 V HN 0.508 nan 8.190 nan 0.000 0.467 598 A N 0.544 123.404 122.820 0.067 0.000 2.359 598 A HA 0.725 5.048 4.320 0.004 0.000 0.303 598 A C -1.511 176.181 177.584 0.181 0.000 1.066 598 A CA -0.199 51.886 52.037 0.080 0.000 0.730 598 A CB 1.539 20.509 19.000 -0.049 0.000 1.211 598 A HN 0.283 nan 8.150 nan 0.000 0.439 599 D N 2.227 122.804 120.400 0.295 0.000 2.336 599 D HA 0.408 5.051 4.640 0.004 0.000 0.248 599 D C 1.145 177.593 176.300 0.247 0.000 1.326 599 D CA 0.380 54.579 54.000 0.331 0.000 0.973 599 D CB 1.148 42.214 40.800 0.443 0.000 1.255 599 D HN 0.499 nan 8.370 nan 0.000 0.558 600 G N 1.596 110.435 108.800 0.066 0.000 2.471 600 G HA2 -0.212 3.750 3.960 0.004 0.000 0.219 600 G HA3 -0.212 3.750 3.960 0.004 0.000 0.219 600 G C 1.162 175.959 174.900 -0.172 0.000 1.125 600 G CA 0.323 45.365 45.100 -0.097 0.000 0.775 600 G HN 0.496 nan 8.290 nan 0.000 0.548 601 F N 0.129 120.125 119.950 0.076 0.000 2.365 601 F HA 0.160 4.689 4.527 0.003 0.000 0.300 601 F C 2.585 178.271 175.800 -0.190 0.000 1.090 601 F CA 0.694 58.623 58.000 -0.118 0.000 1.408 601 F CB 0.244 39.131 39.000 -0.189 0.000 1.060 601 F HN -0.002 nan 8.300 nan 0.000 0.534 602 R N -0.239 120.352 120.500 0.151 0.000 2.509 602 R HA 0.093 4.436 4.340 0.004 0.000 0.300 602 R C 0.043 176.428 176.300 0.141 0.000 0.985 602 R CA -0.184 55.988 56.100 0.119 0.000 1.092 602 R CB -0.085 30.347 30.300 0.220 0.000 1.237 602 R HN -0.041 nan 8.270 nan 0.000 0.546 603 N N 1.130 119.894 118.700 0.107 0.000 2.714 603 N HA -0.280 4.462 4.740 0.004 0.000 0.252 603 N C -1.579 174.055 175.510 0.205 0.000 1.014 603 N CA 0.948 54.070 53.050 0.119 0.000 0.735 603 N CB -0.925 37.620 38.487 0.096 0.000 0.924 603 N HN 0.350 nan 8.380 nan 0.000 0.540 604 Y N 0.029 120.385 120.300 0.093 0.000 2.364 604 Y HA 0.675 5.228 4.550 0.006 0.000 0.340 604 Y C -0.743 175.227 175.900 0.115 0.000 0.975 604 Y CA -0.883 57.282 58.100 0.108 0.000 1.089 604 Y CB 1.035 39.570 38.460 0.125 0.000 1.192 604 Y HN 0.114 nan 8.280 nan 0.000 0.454 605 L N 7.298 128.156 121.223 -0.608 0.000 2.438 605 L HA 0.410 4.752 4.340 0.004 0.000 0.270 605 L C 0.639 177.089 176.870 -0.700 0.000 0.972 605 L CA -0.645 53.908 54.840 -0.477 0.000 0.831 605 L CB 2.254 44.241 42.059 -0.120 0.000 1.273 605 L HN 0.698 nan 8.230 nan 0.000 0.405 606 K N 1.609 121.696 120.400 -0.522 0.000 2.116 606 K HA 0.123 4.445 4.320 0.004 0.000 0.203 606 K C 0.683 177.173 176.600 -0.183 0.000 1.052 606 K CA 1.068 57.193 56.287 -0.270 0.000 0.952 606 K CB 0.361 32.901 32.500 0.068 0.000 0.729 606 K HN 0.822 nan 8.250 nan 0.000 0.446 607 G N -0.229 108.370 108.800 -0.336 0.000 2.975 607 G HA2 0.395 4.357 3.960 0.004 0.000 0.291 607 G HA3 0.395 4.357 3.960 0.004 0.000 0.291 607 G C -1.595 172.801 174.900 -0.841 0.000 1.334 607 G CA -0.730 44.048 45.100 -0.536 0.000 0.843 607 G HN -0.030 nan 8.290 nan 0.000 0.548 608 K N 0.118 120.099 120.400 -0.699 0.000 2.265 608 K HA 0.557 4.880 4.320 0.004 0.000 0.267 608 K C -1.443 174.815 176.600 -0.570 0.000 0.994 608 K CA -0.214 55.757 56.287 -0.526 0.000 0.860 608 K CB 1.164 33.517 32.500 -0.245 0.000 1.099 608 K HN 0.464 nan 8.250 nan 0.000 0.448 609 Y N 0.646 120.916 120.300 -0.050 0.000 2.567 609 Y HA 0.339 4.891 4.550 0.003 0.000 0.333 609 Y C 1.295 177.167 175.900 -0.046 0.000 1.106 609 Y CA -1.018 57.052 58.100 -0.051 0.000 1.157 609 Y CB 1.534 39.956 38.460 -0.064 0.000 1.277 609 Y HN 0.411 nan 8.280 nan 0.000 0.490 610 R N 0.009 120.585 120.500 0.127 0.000 2.119 610 R HA 0.073 4.415 4.340 0.004 0.000 0.222 610 R C -0.280 176.034 176.300 0.024 0.000 1.088 610 R CA 0.364 56.492 56.100 0.047 0.000 0.984 610 R CB -0.130 30.183 30.300 0.022 0.000 0.884 610 R HN 0.262 nan 8.270 nan 0.000 0.447 611 V N 3.815 123.739 119.914 0.017 0.000 2.508 611 V HA 0.130 4.253 4.120 0.004 0.000 0.281 611 V C -2.049 174.047 176.094 0.004 0.000 1.041 611 V CA -1.833 60.446 62.300 -0.035 0.000 1.016 611 V CB 0.848 32.605 31.823 -0.111 0.000 0.984 611 V HN 0.035 nan 8.190 nan 0.000 0.478 612 P HA 0.152 nan 4.420 nan 0.000 0.269 612 P C 0.624 177.920 177.300 -0.006 0.000 1.209 612 P CA -0.081 63.023 63.100 0.006 0.000 0.776 612 P CB 0.762 32.461 31.700 -0.001 0.000 0.876 613 A N 3.289 126.117 122.820 0.014 0.000 1.978 613 A HA -0.207 4.116 4.320 0.004 0.000 0.220 613 A C 1.846 179.405 177.584 -0.042 0.000 1.170 613 A CA 1.566 53.606 52.037 0.005 0.000 0.636 613 A CB -0.901 18.116 19.000 0.027 0.000 0.810 613 A HN 0.695 nan 8.150 nan 0.000 0.448 614 E N 0.218 120.382 120.200 -0.061 0.000 2.152 614 E HA -0.090 4.263 4.350 0.004 0.000 0.192 614 E C 1.824 178.352 176.600 -0.121 0.000 0.983 614 E CA 1.435 57.765 56.400 -0.116 0.000 0.818 614 E CB -0.871 28.740 29.700 -0.148 0.000 0.758 614 E HN 0.327 nan 8.360 nan 0.000 0.467 615 V N 1.990 121.848 119.914 -0.092 0.000 2.343 615 V HA -0.230 3.892 4.120 0.004 0.000 0.247 615 V C 2.662 178.697 176.094 -0.098 0.000 1.051 615 V CA 1.469 63.712 62.300 -0.095 0.000 1.036 615 V CB -0.551 31.219 31.823 -0.087 0.000 0.654 615 V HN 0.203 nan 8.190 nan 0.000 0.451 616 L N -0.771 120.396 121.223 -0.093 0.000 2.141 616 L HA -0.165 4.178 4.340 0.004 0.000 0.209 616 L C 2.438 179.267 176.870 -0.067 0.000 1.094 616 L CA 1.097 55.881 54.840 -0.094 0.000 0.763 616 L CB -0.601 41.397 42.059 -0.101 0.000 0.908 616 L HN 0.350 nan 8.230 nan 0.000 0.437 617 L N -0.384 120.788 121.223 -0.086 0.000 2.017 617 L HA -0.153 4.189 4.340 0.004 0.000 0.208 617 L C 2.364 179.198 176.870 -0.060 0.000 1.073 617 L CA 1.671 56.441 54.840 -0.116 0.000 0.745 617 L CB -0.366 41.578 42.059 -0.193 0.000 0.894 617 L HN -0.091 nan 8.230 nan 0.000 0.432 618 V N 0.040 119.907 119.914 -0.077 0.000 2.427 618 V HA -0.294 3.828 4.120 0.004 0.000 0.248 618 V C 2.313 178.397 176.094 -0.017 0.000 1.051 618 V CA 1.897 64.166 62.300 -0.052 0.000 1.048 618 V CB -0.823 30.939 31.823 -0.102 0.000 0.666 618 V HN 0.630 nan 8.190 nan 0.000 0.456 619 D N 0.226 120.604 120.400 -0.036 0.000 2.097 619 D HA -0.248 4.395 4.640 0.004 0.000 0.195 619 D C 2.109 178.420 176.300 0.018 0.000 0.989 619 D CA 1.540 55.520 54.000 -0.033 0.000 0.827 619 D CB -0.099 40.657 40.800 -0.072 0.000 0.966 619 D HN 0.246 nan 8.370 nan 0.000 0.456 620 K N 0.520 120.958 120.400 0.063 0.000 2.026 620 K HA -0.016 4.306 4.320 0.004 0.000 0.208 620 K C 1.916 178.663 176.600 0.244 0.000 1.048 620 K CA 1.633 58.017 56.287 0.162 0.000 0.929 620 K CB -0.907 31.744 32.500 0.251 0.000 0.713 620 K HN 0.158 nan 8.250 nan 0.000 0.439 621 A N 0.914 123.913 122.820 0.300 0.000 1.892 621 A HA -0.258 4.065 4.320 0.004 0.000 0.218 621 A C 2.255 179.931 177.584 0.153 0.000 1.188 621 A CA 1.956 54.175 52.037 0.303 0.000 0.631 621 A CB -0.778 18.393 19.000 0.284 0.000 0.822 621 A HN 0.524 nan 8.150 nan 0.000 0.447 622 Q N -0.217 119.636 119.800 0.087 0.000 2.084 622 Q HA -0.130 4.213 4.340 0.004 0.000 0.202 622 Q C 2.088 178.125 176.000 0.062 0.000 0.978 622 Q CA 1.628 57.461 55.803 0.050 0.000 0.844 622 Q CB -0.294 28.449 28.738 0.009 0.000 0.898 622 Q HN 0.732 nan 8.270 nan 0.000 0.426 623 L N 0.210 121.465 121.223 0.054 0.000 2.141 623 L HA -0.146 4.197 4.340 0.004 0.000 0.209 623 L C 2.291 179.216 176.870 0.091 0.000 1.094 623 L CA 0.598 55.458 54.840 0.034 0.000 0.763 623 L CB -0.261 41.797 42.059 -0.001 0.000 0.908 623 L HN 0.188 nan 8.230 nan 0.000 0.437 624 L N -0.232 121.062 121.223 0.118 0.000 2.610 624 L HA -0.034 4.309 4.340 0.004 0.000 0.232 624 L C 1.227 178.173 176.870 0.125 0.000 1.149 624 L CA 0.756 55.676 54.840 0.134 0.000 0.872 624 L CB -0.631 41.461 42.059 0.054 0.000 0.992 624 L HN 0.564 nan 8.230 nan 0.000 0.447 625 T N -3.292 111.337 114.554 0.125 0.000 4.458 625 T HA -0.232 4.121 4.350 0.004 0.000 0.317 625 T C 0.019 174.770 174.700 0.085 0.000 0.916 625 T CA 0.476 62.642 62.100 0.110 0.000 2.068 625 T CB -2.673 66.271 68.868 0.127 0.000 1.908 625 T HN 0.188 nan 8.240 nan 0.000 0.934 626 L N 1.909 123.185 121.223 0.089 0.000 2.350 626 L HA 0.639 4.982 4.340 0.004 0.000 0.275 626 L C 1.374 178.308 176.870 0.107 0.000 1.099 626 L CA -0.460 54.438 54.840 0.097 0.000 0.808 626 L CB 1.333 43.467 42.059 0.126 0.000 1.149 626 L HN 0.572 nan 8.230 nan 0.000 0.442 627 S N 1.380 117.166 115.700 0.143 0.000 2.655 627 S HA 0.399 4.872 4.470 0.004 0.000 0.265 627 S C 1.051 175.797 174.600 0.243 0.000 1.240 627 S CA -0.156 58.173 58.200 0.215 0.000 0.986 627 S CB 1.512 64.892 63.200 0.300 0.000 0.985 627 S HN 0.686 nan 8.310 nan 0.000 0.562 628 A N 0.944 124.003 122.820 0.397 0.000 1.877 628 A HA 0.092 4.414 4.320 0.004 0.000 0.216 628 A C -0.411 177.360 177.584 0.312 0.000 1.186 628 A CA 1.478 53.707 52.037 0.319 0.000 0.620 628 A CB -2.186 17.037 19.000 0.372 0.000 0.822 628 A HN 0.726 nan 8.150 nan 0.000 0.443 629 P HA -0.130 nan 4.420 nan 0.000 0.216 629 P C 1.135 178.572 177.300 0.228 0.000 1.153 629 P CA 1.439 64.708 63.100 0.282 0.000 0.848 629 P CB -0.063 31.778 31.700 0.235 0.000 0.787 630 E N -0.855 119.456 120.200 0.185 0.000 2.077 630 E HA -0.190 4.163 4.350 0.004 0.000 0.193 630 E C 2.013 178.705 176.600 0.154 0.000 0.989 630 E CA 1.064 57.535 56.400 0.119 0.000 0.800 630 E CB -0.564 29.190 29.700 0.090 0.000 0.746 630 E HN 0.219 nan 8.360 nan 0.000 0.452 631 M N 0.779 120.528 119.600 0.249 0.000 2.108 631 M HA -0.188 4.295 4.480 0.004 0.000 0.261 631 M C 2.011 178.523 176.300 0.352 0.000 1.066 631 M CA 1.668 57.209 55.300 0.403 0.000 1.107 631 M CB -0.174 32.672 32.600 0.409 0.000 1.356 631 M HN 0.016 nan 8.290 nan 0.000 0.406 632 T N 0.656 115.393 114.554 0.304 0.000 2.652 632 T HA -0.141 4.211 4.350 0.004 0.000 0.267 632 T C 1.768 176.526 174.700 0.098 0.000 1.039 632 T CA 1.946 64.166 62.100 0.200 0.000 1.153 632 T CB -0.551 68.534 68.868 0.362 0.000 0.863 632 T HN 0.309 nan 8.240 nan 0.000 0.428 633 V N 1.514 121.428 119.914 0.000 0.000 2.343 633 V HA -0.099 4.023 4.120 0.004 0.000 0.247 633 V C 2.418 178.633 176.094 0.202 0.000 1.051 633 V CA 1.265 63.531 62.300 -0.057 0.000 1.036 633 V CB -0.794 30.814 31.823 -0.359 0.000 0.654 633 V HN 0.291 nan 8.190 nan 0.000 0.451 634 L N -0.134 121.163 121.223 0.123 0.000 2.012 634 L HA -0.179 4.163 4.340 0.004 0.000 0.210 634 L C 2.246 179.219 176.870 0.172 0.000 1.073 634 L CA 1.999 56.920 54.840 0.135 0.000 0.748 634 L CB -0.585 41.460 42.059 -0.023 0.000 0.891 634 L HN 0.293 nan 8.230 nan 0.000 0.431 635 L N -1.087 120.196 121.223 0.100 0.000 2.056 635 L HA -0.036 4.307 4.340 0.004 0.000 0.207 635 L C 2.287 178.818 176.870 -0.566 0.000 1.078 635 L CA 1.603 56.344 54.840 -0.164 0.000 0.749 635 L CB -0.879 40.971 42.059 -0.348 0.000 0.901 635 L HN 0.380 nan 8.230 nan 0.000 0.433 636 G N -1.023 107.393 108.800 -0.640 0.000 2.422 636 G HA2 -0.208 3.754 3.960 0.004 0.000 0.218 636 G HA3 -0.208 3.754 3.960 0.004 0.000 0.218 636 G C 1.432 176.079 174.900 -0.421 0.000 1.146 636 G CA 0.591 45.082 45.100 -1.015 0.000 0.769 636 G HN 0.556 nan 8.290 nan 0.000 0.547 637 G N 0.785 109.584 108.800 -0.001 0.000 2.394 637 G HA2 -0.086 3.876 3.960 0.004 0.000 0.214 637 G HA3 -0.086 3.876 3.960 0.004 0.000 0.214 637 G C 1.800 176.517 174.900 -0.306 0.000 1.176 637 G CA 0.567 45.552 45.100 -0.192 0.000 0.786 637 G HN 0.398 nan 8.290 nan 0.000 0.533 638 L N -0.034 121.111 121.223 -0.130 0.000 2.042 638 L HA -0.108 4.234 4.340 0.004 0.000 0.210 638 L C 3.219 179.950 176.870 -0.232 0.000 1.076 638 L CA 0.882 55.623 54.840 -0.165 0.000 0.749 638 L CB -0.347 41.592 42.059 -0.200 0.000 0.893 638 L HN 0.084 nan 8.230 nan 0.000 0.432 639 R N 0.052 120.358 120.500 -0.324 0.000 2.096 639 R HA -0.169 4.174 4.340 0.004 0.000 0.240 639 R C 2.171 178.340 176.300 -0.219 0.000 1.139 639 R CA 1.946 57.858 56.100 -0.314 0.000 0.952 639 R CB -1.167 28.840 30.300 -0.488 0.000 0.854 639 R HN 0.482 nan 8.270 nan 0.000 0.436 640 V N -1.689 118.091 119.914 -0.223 0.000 3.217 640 V HA 0.024 4.146 4.120 0.004 0.000 0.264 640 V C 1.996 178.002 176.094 -0.146 0.000 1.135 640 V CA 1.087 63.291 62.300 -0.160 0.000 1.142 640 V CB -0.470 31.260 31.823 -0.155 0.000 0.754 640 V HN 0.104 nan 8.190 nan 0.000 0.484 641 L N 1.259 122.373 121.223 -0.181 0.000 2.509 641 L HA 0.467 4.810 4.340 0.004 0.000 0.222 641 L C 1.789 178.596 176.870 -0.106 0.000 1.123 641 L CA 0.829 55.570 54.840 -0.165 0.000 0.856 641 L CB -0.309 41.615 42.059 -0.226 0.000 0.985 641 L HN 0.623 nan 8.230 nan 0.000 0.456 642 G N -0.143 108.601 108.800 -0.092 0.000 2.164 642 G HA2 -0.238 3.724 3.960 0.004 0.000 0.212 642 G HA3 -0.238 3.724 3.960 0.004 0.000 0.212 642 G C 0.692 175.572 174.900 -0.034 0.000 1.031 642 G CA 0.159 45.227 45.100 -0.053 0.000 0.730 642 G HN 0.364 nan 8.290 nan 0.000 0.501 643 A N -0.585 122.202 122.820 -0.055 0.000 2.208 643 A HA 0.343 4.666 4.320 0.004 0.000 0.209 643 A C 1.161 178.741 177.584 -0.006 0.000 1.161 643 A CA 0.560 52.581 52.037 -0.026 0.000 0.782 643 A CB -0.089 18.858 19.000 -0.088 0.000 0.816 643 A HN 0.443 nan 8.150 nan 0.000 0.477 644 N N 0.322 119.013 118.700 -0.016 0.000 2.454 644 N HA 0.212 4.954 4.740 0.004 0.000 0.254 644 N C -0.118 175.421 175.510 0.049 0.000 1.228 644 N CA 0.089 53.150 53.050 0.018 0.000 0.900 644 N CB 0.752 39.241 38.487 0.004 0.000 1.089 644 N HN 0.026 nan 8.380 nan 0.000 0.449 645 V N 1.476 121.441 119.914 0.086 0.000 2.673 645 V HA 0.166 4.288 4.120 0.004 0.000 0.303 645 V C 1.549 177.689 176.094 0.075 0.000 1.046 645 V CA 0.958 63.307 62.300 0.082 0.000 1.126 645 V CB 0.325 32.213 31.823 0.108 0.000 0.934 645 V HN 0.970 nan 8.190 nan 0.000 0.487 646 G N 3.584 112.418 108.800 0.057 0.000 2.168 646 G HA2 -0.292 3.671 3.960 0.004 0.000 0.257 646 G HA3 -0.292 3.671 3.960 0.004 0.000 0.257 646 G C 0.376 175.290 174.900 0.023 0.000 0.997 646 G CA 0.300 45.427 45.100 0.045 0.000 0.708 646 G HN 0.884 nan 8.290 nan 0.000 0.520 647 Q N -1.524 118.288 119.800 0.020 0.000 2.457 647 Q HA -0.212 4.130 4.340 0.004 0.000 0.283 647 Q C 0.896 176.888 176.000 -0.013 0.000 1.234 647 Q CA 1.446 57.253 55.803 0.007 0.000 0.877 647 Q CB -2.084 26.660 28.738 0.010 0.000 1.250 647 Q HN 1.555 nan 8.270 nan 0.000 0.481 648 S N -0.052 115.630 115.700 -0.030 0.000 2.558 648 S HA 0.098 4.571 4.470 0.004 0.000 0.288 648 S C 1.312 175.864 174.600 -0.081 0.000 1.318 648 S CA -0.123 58.013 58.200 -0.107 0.000 1.056 648 S CB 0.590 63.706 63.200 -0.139 0.000 0.853 648 S HN 0.281 nan 8.310 nan 0.000 0.505 649 R N 2.529 122.971 120.500 -0.096 0.000 2.297 649 R HA 0.062 4.405 4.340 0.004 0.000 0.197 649 R C 0.050 176.436 176.300 0.145 0.000 0.943 649 R CA 0.200 56.326 56.100 0.044 0.000 1.038 649 R CB -0.635 29.730 30.300 0.109 0.000 0.957 649 R HN 0.744 nan 8.270 nan 0.000 0.484 650 H N 0.456 119.588 119.070 0.103 0.000 3.046 650 H HA 0.085 4.644 4.556 0.005 0.000 0.303 650 H C 1.185 176.482 175.328 -0.051 0.000 1.002 650 H CA 0.364 56.478 56.048 0.111 0.000 1.460 650 H CB 0.487 30.318 29.762 0.115 0.000 1.493 650 H HN 0.392 nan 8.280 nan 0.000 0.559 651 G N 2.611 111.355 108.800 -0.094 0.000 2.184 651 G HA2 -0.309 3.653 3.960 0.004 0.000 0.264 651 G HA3 -0.309 3.653 3.960 0.004 0.000 0.264 651 G C 0.398 174.750 174.900 -0.913 0.000 0.975 651 G CA 0.250 44.847 45.100 -0.839 0.000 0.642 651 G HN 0.531 nan 8.290 nan 0.000 0.536 652 V N 1.899 121.593 119.914 -0.366 0.000 2.071 652 V HA 0.325 4.448 4.120 0.004 0.000 0.254 652 V C 0.633 176.678 176.094 -0.081 0.000 1.456 652 V CA -0.036 62.161 62.300 -0.172 0.000 1.383 652 V CB -0.851 30.966 31.823 -0.011 0.000 1.433 652 V HN 0.337 nan 8.190 nan 0.000 0.499 653 F N 1.962 121.716 119.950 -0.327 0.000 2.640 653 F HA 0.405 4.935 4.527 0.005 0.000 0.354 653 F C 0.888 176.303 175.800 -0.642 0.000 1.213 653 F CA -0.194 57.190 58.000 -1.026 0.000 1.314 653 F CB 0.375 38.643 39.000 -1.219 0.000 1.679 653 F HN 0.378 nan 8.300 nan 0.000 0.622 654 T N -0.250 114.287 114.554 -0.028 0.000 2.942 654 T HA 0.538 4.891 4.350 0.004 0.000 0.327 654 T C 0.084 174.949 174.700 0.275 0.000 1.360 654 T CA -0.231 61.943 62.100 0.123 0.000 1.055 654 T CB 1.679 70.562 68.868 0.025 0.000 1.261 654 T HN 0.246 nan 8.240 nan 0.000 0.485 655 A N 3.093 126.052 122.820 0.231 0.000 2.308 655 A HA 0.325 4.647 4.320 0.004 0.000 0.217 655 A C 0.900 178.541 177.584 0.096 0.000 1.216 655 A CA -0.142 51.995 52.037 0.167 0.000 0.864 655 A CB -0.105 18.978 19.000 0.138 0.000 0.902 655 A HN 0.680 nan 8.150 nan 0.000 0.499 656 R N 0.503 121.048 120.500 0.074 0.000 2.681 656 R HA 0.380 4.723 4.340 0.004 0.000 0.277 656 R C -0.613 175.698 176.300 0.017 0.000 1.563 656 R CA -0.418 55.706 56.100 0.040 0.000 1.673 656 R CB 0.070 30.389 30.300 0.033 0.000 1.258 656 R HN 0.352 nan 8.270 nan 0.000 0.650 657 E N 1.879 122.091 120.200 0.021 0.000 2.415 657 E HA -0.095 4.257 4.350 0.004 0.000 0.262 657 E C -0.184 176.403 176.600 -0.022 0.000 1.038 657 E CA 0.492 56.889 56.400 -0.005 0.000 0.921 657 E CB 0.483 30.188 29.700 0.008 0.000 0.950 657 E HN 0.481 nan 8.360 nan 0.000 0.438 658 Q N -1.421 118.350 119.800 -0.050 0.000 2.416 658 Q HA -0.260 4.083 4.340 0.004 0.000 0.235 658 Q C -1.020 174.944 176.000 -0.061 0.000 0.773 658 Q CA 0.661 56.428 55.803 -0.061 0.000 1.286 658 Q CB -1.703 27.011 28.738 -0.040 0.000 1.556 658 Q HN 0.471 nan 8.270 nan 0.000 0.650 659 A N 0.804 123.591 122.820 -0.055 0.000 2.318 659 A HA 0.632 4.955 4.320 0.004 0.000 0.324 659 A C -0.456 177.083 177.584 -0.075 0.000 1.170 659 A CA -0.592 51.418 52.037 -0.046 0.000 0.810 659 A CB 1.011 20.006 19.000 -0.009 0.000 1.198 659 A HN 0.179 nan 8.150 nan 0.000 0.484 660 L N 3.922 125.090 121.223 -0.092 0.000 2.385 660 L HA 0.475 4.817 4.340 0.004 0.000 0.285 660 L C 0.545 177.411 176.870 -0.006 0.000 1.125 660 L CA 0.861 55.630 54.840 -0.119 0.000 0.890 660 L CB -0.274 41.652 42.059 -0.221 0.000 1.251 660 L HN 0.842 nan 8.230 nan 0.000 0.445 661 T N 0.184 114.741 114.554 0.006 0.000 2.887 661 T HA 0.381 4.734 4.350 0.004 0.000 0.292 661 T C 0.550 175.037 174.700 -0.355 0.000 1.087 661 T CA -0.570 61.507 62.100 -0.038 0.000 1.009 661 T CB 1.197 70.046 68.868 -0.033 0.000 1.203 661 T HN 0.475 nan 8.240 nan 0.000 0.518 662 N N 0.082 118.496 118.700 -0.476 0.000 2.413 662 N HA 0.026 4.768 4.740 0.004 0.000 0.207 662 N C 0.280 175.671 175.510 -0.198 0.000 1.206 662 N CA -0.053 52.615 53.050 -0.638 0.000 0.832 662 N CB -0.404 37.880 38.487 -0.338 0.000 1.037 662 N HN 0.550 nan 8.380 nan 0.000 0.467 663 D N 0.511 120.810 120.400 -0.168 0.000 2.182 663 D HA -0.171 4.472 4.640 0.004 0.000 0.201 663 D C 1.199 177.418 176.300 -0.135 0.000 0.986 663 D CA 0.678 54.622 54.000 -0.093 0.000 0.847 663 D CB -0.327 40.438 40.800 -0.059 0.000 0.942 663 D HN 0.384 nan 8.370 nan 0.000 0.467 664 F N 0.217 119.933 119.950 -0.390 0.000 2.134 664 F HA -0.197 4.333 4.527 0.004 0.000 0.299 664 F C 1.859 177.402 175.800 -0.429 0.000 1.097 664 F CA 1.371 59.074 58.000 -0.495 0.000 1.264 664 F CB -0.343 38.139 39.000 -0.863 0.000 1.001 664 F HN -0.120 nan 8.300 nan 0.000 0.479 665 F N -0.504 119.416 119.950 -0.050 0.000 2.128 665 F HA -0.120 4.409 4.527 0.004 0.000 0.295 665 F C 2.332 178.068 175.800 -0.107 0.000 1.100 665 F CA 1.228 59.193 58.000 -0.059 0.000 1.260 665 F CB -1.143 37.883 39.000 0.042 0.000 1.009 665 F HN -0.248 nan 8.300 nan 0.000 0.476 666 V N 0.592 120.555 119.914 0.081 0.000 2.255 666 V HA -0.312 3.811 4.120 0.004 0.000 0.247 666 V C 2.127 178.203 176.094 -0.030 0.000 1.051 666 V CA 2.091 64.410 62.300 0.033 0.000 1.018 666 V CB -0.661 31.182 31.823 0.033 0.000 0.641 666 V HN 0.356 nan 8.190 nan 0.000 0.445 667 N N -0.028 118.605 118.700 -0.111 0.000 2.142 667 N HA -0.115 4.627 4.740 0.004 0.000 0.186 667 N C 1.727 177.058 175.510 -0.299 0.000 1.023 667 N CA 1.291 54.235 53.050 -0.177 0.000 0.852 667 N CB -0.474 37.813 38.487 -0.334 0.000 0.998 667 N HN 0.398 nan 8.380 nan 0.000 0.424 668 L N 1.208 122.170 121.223 -0.435 0.000 2.042 668 L HA -0.039 4.304 4.340 0.004 0.000 0.210 668 L C 1.663 178.429 176.870 -0.174 0.000 1.076 668 L CA 1.490 56.058 54.840 -0.454 0.000 0.749 668 L CB -0.436 41.293 42.059 -0.549 0.000 0.893 668 L HN 0.107 nan 8.230 nan 0.000 0.432 669 L N -0.564 120.610 121.223 -0.080 0.000 2.591 669 L HA 0.090 4.432 4.340 0.004 0.000 0.228 669 L C 0.234 177.118 176.870 0.024 0.000 1.133 669 L CA -0.252 54.586 54.840 -0.004 0.000 0.880 669 L CB -0.567 41.513 42.059 0.034 0.000 1.033 669 L HN 0.176 nan 8.230 nan 0.000 0.450 670 D N 0.941 121.359 120.400 0.030 0.000 2.363 670 D HA -0.044 4.598 4.640 0.004 0.000 0.263 670 D C 0.924 177.264 176.300 0.068 0.000 1.258 670 D CA 0.043 54.074 54.000 0.050 0.000 0.907 670 D CB 1.252 42.090 40.800 0.064 0.000 1.107 670 D HN -0.065 nan 8.370 nan 0.000 0.495 671 M N 3.427 123.055 119.600 0.047 0.000 2.549 671 M HA 0.101 4.584 4.480 0.004 0.000 0.260 671 M C 1.761 178.076 176.300 0.025 0.000 1.076 671 M CA 0.830 56.156 55.300 0.044 0.000 1.090 671 M CB -0.254 32.362 32.600 0.027 0.000 1.418 671 M HN 0.414 nan 8.290 nan 0.000 0.486 672 G N -0.865 107.943 108.800 0.014 0.000 2.559 672 G HA2 -0.054 3.909 3.960 0.004 0.000 0.216 672 G HA3 -0.054 3.909 3.960 0.004 0.000 0.216 672 G C 0.368 175.239 174.900 -0.049 0.000 1.126 672 G CA 0.645 45.736 45.100 -0.015 0.000 0.778 672 G HN 0.461 nan 8.290 nan 0.000 0.543 673 T N -0.038 114.491 114.554 -0.041 0.000 2.823 673 T HA 0.492 4.845 4.350 0.004 0.000 0.279 673 T C -0.776 173.819 174.700 -0.174 0.000 0.998 673 T CA -0.484 61.519 62.100 -0.162 0.000 0.994 673 T CB 2.602 71.364 68.868 -0.176 0.000 0.960 673 T HN 0.237 nan 8.240 nan 0.000 0.448 674 E N 1.894 121.915 120.200 -0.299 0.000 2.183 674 E HA 0.425 4.778 4.350 0.004 0.000 0.271 674 E C -1.465 174.934 176.600 -0.335 0.000 0.919 674 E CA -0.843 55.454 56.400 -0.172 0.000 0.781 674 E CB 1.112 30.756 29.700 -0.095 0.000 1.140 674 E HN 0.551 nan 8.360 nan 0.000 0.402 675 W N 3.349 124.662 121.300 0.020 0.000 2.573 675 W HA 0.493 5.155 4.660 0.004 0.000 0.326 675 W C -0.364 176.223 176.519 0.114 0.000 1.049 675 W CA -0.627 56.757 57.345 0.065 0.000 1.220 675 W CB 1.549 31.023 29.460 0.022 0.000 1.373 675 W HN 0.268 nan 8.180 nan 0.000 0.507 676 K N 3.203 123.826 120.400 0.371 0.000 2.527 676 K HA 0.404 4.726 4.320 0.004 0.000 0.260 676 K C -2.696 174.082 176.600 0.297 0.000 0.937 676 K CA -1.972 54.498 56.287 0.304 0.000 0.826 676 K CB 2.595 35.179 32.500 0.139 0.000 1.359 676 K HN 0.039 nan 8.250 nan 0.000 0.434 677 P HA -0.020 nan 4.420 nan 0.000 0.271 677 P C -0.312 176.908 177.300 -0.133 0.000 1.218 677 P CA -0.191 62.761 63.100 -0.247 0.000 0.780 677 P CB 0.398 31.915 31.700 -0.305 0.000 0.901 678 T N -1.507 112.938 114.554 -0.182 0.000 2.899 678 T HA 0.371 4.724 4.350 0.004 0.000 0.295 678 T C 1.489 176.138 174.700 -0.084 0.000 1.033 678 T CA -0.076 61.970 62.100 -0.090 0.000 1.084 678 T CB 0.624 69.450 68.868 -0.069 0.000 0.979 678 T HN 0.400 nan 8.240 nan 0.000 0.532 679 A N 1.936 124.728 122.820 -0.047 0.000 1.898 679 A HA 0.221 4.544 4.320 0.004 0.000 0.216 679 A C 2.639 180.199 177.584 -0.039 0.000 1.181 679 A CA 1.574 53.588 52.037 -0.037 0.000 0.620 679 A CB -1.467 17.520 19.000 -0.021 0.000 0.819 679 A HN 1.239 nan 8.150 nan 0.000 0.442 680 A N -1.339 121.460 122.820 -0.035 0.000 1.933 680 A HA 0.006 4.329 4.320 0.004 0.000 0.218 680 A C 0.924 178.481 177.584 -0.044 0.000 1.175 680 A CA 1.684 53.703 52.037 -0.030 0.000 0.628 680 A CB -0.099 18.892 19.000 -0.015 0.000 0.814 680 A HN 0.435 nan 8.150 nan 0.000 0.444 681 D N -2.616 117.742 120.400 -0.070 0.000 2.616 681 D HA 0.537 5.179 4.640 0.004 0.000 0.238 681 D C 0.368 176.565 176.300 -0.173 0.000 1.354 681 D CA 0.239 54.183 54.000 -0.095 0.000 0.970 681 D CB 1.452 42.208 40.800 -0.073 0.000 1.369 681 D HN 0.052 nan 8.370 nan 0.000 0.585 682 A N 3.151 125.872 122.820 -0.165 0.000 2.172 682 A HA -0.069 4.254 4.320 0.004 0.000 0.216 682 A C 1.127 178.484 177.584 -0.379 0.000 1.154 682 A CA 0.936 52.835 52.037 -0.231 0.000 0.701 682 A CB 0.114 19.045 19.000 -0.114 0.000 0.789 682 A HN 0.490 nan 8.150 nan 0.000 0.465 683 D N -0.824 119.407 120.400 -0.282 0.000 2.369 683 D HA 0.195 4.837 4.640 0.004 0.000 0.211 683 D C -0.148 176.005 176.300 -0.246 0.000 1.077 683 D CA 0.343 54.228 54.000 -0.192 0.000 0.842 683 D CB 0.643 41.418 40.800 -0.041 0.000 0.947 683 D HN 0.172 nan 8.370 nan 0.000 0.509 684 V N 1.251 120.913 119.914 -0.420 0.000 2.513 684 V HA 0.412 4.534 4.120 0.004 0.000 0.299 684 V C -0.503 175.290 176.094 -0.500 0.000 1.035 684 V CA -0.726 61.381 62.300 -0.320 0.000 0.889 684 V CB 1.520 33.223 31.823 -0.200 0.000 0.988 684 V HN -0.164 nan 8.190 nan 0.000 0.440 685 F N 1.405 121.388 119.950 0.054 0.000 2.532 685 F HA 0.561 5.090 4.527 0.004 0.000 0.321 685 F C 0.365 176.339 175.800 0.290 0.000 1.089 685 F CA -0.762 57.355 58.000 0.194 0.000 0.926 685 F CB 1.766 40.922 39.000 0.260 0.000 1.168 685 F HN 0.404 nan 8.300 nan 0.000 0.459 686 E N 0.883 121.310 120.200 0.380 0.000 2.151 686 E HA 0.508 4.861 4.350 0.004 0.000 0.275 686 E C -0.260 176.327 176.600 -0.022 0.000 0.936 686 E CA -0.691 55.824 56.400 0.192 0.000 0.777 686 E CB 1.828 31.567 29.700 0.066 0.000 1.108 686 E HN 0.812 nan 8.360 nan 0.000 0.401 687 G N 3.519 112.035 108.800 -0.474 0.000 2.347 687 G HA2 0.375 4.338 3.960 0.004 0.000 0.314 687 G HA3 0.375 4.338 3.960 0.004 0.000 0.314 687 G C -0.345 174.136 174.900 -0.698 0.000 1.126 687 G CA -0.494 43.793 45.100 -1.355 0.000 0.929 687 G HN 0.355 nan 8.290 nan 0.000 0.441 688 R N 2.050 122.222 120.500 -0.547 0.000 2.637 688 R HA 0.249 4.592 4.340 0.004 0.000 0.291 688 R C -0.699 175.423 176.300 -0.296 0.000 0.963 688 R CA -0.960 54.936 56.100 -0.341 0.000 0.901 688 R CB 2.090 32.259 30.300 -0.218 0.000 1.160 688 R HN 0.556 nan 8.270 nan 0.000 0.457 689 D N 1.920 122.175 120.400 -0.243 0.000 2.531 689 D HA -0.097 4.546 4.640 0.004 0.000 0.239 689 D C 0.802 177.021 176.300 -0.135 0.000 1.144 689 D CA 0.622 54.516 54.000 -0.177 0.000 0.869 689 D CB 0.827 41.535 40.800 -0.152 0.000 1.160 689 D HN 0.432 nan 8.370 nan 0.000 0.484 690 R N 2.911 123.346 120.500 -0.108 0.000 2.148 690 R HA -0.113 4.229 4.340 0.004 0.000 0.227 690 R C 1.810 178.073 176.300 -0.061 0.000 1.103 690 R CA 1.368 57.421 56.100 -0.078 0.000 0.983 690 R CB 0.090 30.356 30.300 -0.056 0.000 0.874 690 R HN 0.535 nan 8.270 nan 0.000 0.451 691 A N -0.641 122.142 122.820 -0.061 0.000 1.911 691 A HA -0.063 4.260 4.320 0.004 0.000 0.212 691 A C 1.984 179.537 177.584 -0.053 0.000 1.189 691 A CA 1.458 53.465 52.037 -0.050 0.000 0.639 691 A CB -0.185 18.788 19.000 -0.045 0.000 0.839 691 A HN 0.482 nan 8.150 nan 0.000 0.449 692 T N -5.689 108.826 114.554 -0.066 0.000 2.990 692 T HA 0.417 4.769 4.350 0.004 0.000 0.249 692 T C 1.475 176.133 174.700 -0.070 0.000 1.039 692 T CA 1.202 63.263 62.100 -0.065 0.000 1.036 692 T CB 0.364 69.189 68.868 -0.071 0.000 0.994 692 T HN 1.676 nan 8.240 nan 0.000 0.489 693 G N 1.451 110.200 108.800 -0.085 0.000 2.176 693 G HA2 -0.264 3.698 3.960 0.004 0.000 0.253 693 G HA3 -0.264 3.698 3.960 0.004 0.000 0.253 693 G C -0.145 174.691 174.900 -0.107 0.000 0.979 693 G CA 0.240 45.286 45.100 -0.089 0.000 0.641 693 G HN 0.876 nan 8.290 nan 0.000 0.530 694 E N 0.311 120.440 120.200 -0.119 0.000 2.376 694 E HA 0.358 4.710 4.350 0.004 0.000 0.266 694 E C 0.526 177.017 176.600 -0.180 0.000 1.009 694 E CA -0.797 55.523 56.400 -0.135 0.000 0.902 694 E CB 0.308 29.924 29.700 -0.139 0.000 0.972 694 E HN 0.322 nan 8.360 nan 0.000 0.439 695 L N 5.429 126.553 121.223 -0.166 0.000 2.462 695 L HA 0.021 4.363 4.340 0.004 0.000 0.272 695 L C 0.565 177.260 176.870 -0.292 0.000 1.166 695 L CA 0.932 55.654 54.840 -0.197 0.000 0.880 695 L CB 0.511 42.498 42.059 -0.119 0.000 1.142 695 L HN 0.635 nan 8.230 nan 0.000 0.473 696 K N 3.466 123.604 120.400 -0.437 0.000 2.306 696 K HA 0.214 4.536 4.320 0.004 0.000 0.200 696 K C -0.778 175.319 176.600 -0.838 0.000 1.083 696 K CA 0.522 56.322 56.287 -0.812 0.000 0.959 696 K CB 0.403 32.257 32.500 -1.076 0.000 0.994 696 K HN 0.592 nan 8.250 nan 0.000 0.492 697 W N 0.373 121.609 121.300 -0.107 0.000 3.074 697 W HA 0.258 4.920 4.660 0.004 0.000 0.332 697 W C -0.794 175.835 176.519 0.185 0.000 1.253 697 W CA -1.052 56.352 57.345 0.098 0.000 1.180 697 W CB 0.942 30.484 29.460 0.137 0.000 1.445 697 W HN -0.204 nan 8.180 nan 0.000 0.573 698 T N -0.670 114.295 114.554 0.686 0.000 2.907 698 T HA 0.937 5.289 4.350 0.004 0.000 0.292 698 T C -0.441 174.693 174.700 0.723 0.000 1.043 698 T CA -0.653 61.817 62.100 0.617 0.000 1.003 698 T CB 2.004 71.164 68.868 0.487 0.000 1.084 698 T HN 0.955 nan 8.240 nan 0.000 0.483 699 G N 0.440 109.562 108.800 0.537 0.000 2.684 699 G HA2 0.674 4.636 3.960 0.004 0.000 0.290 699 G HA3 0.674 4.636 3.960 0.004 0.000 0.290 699 G C -0.446 174.557 174.900 0.172 0.000 1.425 699 G CA -0.344 44.963 45.100 0.345 0.000 0.822 699 G HN 1.078 nan 8.290 nan 0.000 0.482 700 T N -2.271 112.352 114.554 0.116 0.000 2.910 700 T HA 0.396 4.748 4.350 0.004 0.000 0.279 700 T C 1.377 176.183 174.700 0.178 0.000 0.989 700 T CA -0.556 61.636 62.100 0.155 0.000 0.968 700 T CB 1.674 70.596 68.868 0.091 0.000 1.135 700 T HN 0.449 nan 8.240 nan 0.000 0.562 701 R N -0.390 120.234 120.500 0.207 0.000 2.127 701 R HA -0.038 4.305 4.340 0.004 0.000 0.238 701 R C 2.288 178.570 176.300 -0.030 0.000 1.134 701 R CA 1.105 57.239 56.100 0.055 0.000 0.975 701 R CB -0.950 29.410 30.300 0.099 0.000 0.865 701 R HN 0.467 nan 8.270 nan 0.000 0.447 702 V N 1.559 121.482 119.914 0.015 0.000 2.427 702 V HA -0.227 3.895 4.120 0.004 0.000 0.248 702 V C 1.628 177.799 176.094 0.129 0.000 1.051 702 V CA 1.840 64.149 62.300 0.015 0.000 1.048 702 V CB -0.382 31.443 31.823 0.003 0.000 0.666 702 V HN 0.277 nan 8.190 nan 0.000 0.456 703 D N 0.177 120.648 120.400 0.119 0.000 2.084 703 D HA -0.091 4.552 4.640 0.004 0.000 0.196 703 D C 2.082 178.496 176.300 0.189 0.000 0.985 703 D CA 1.237 55.367 54.000 0.217 0.000 0.826 703 D CB -0.167 40.702 40.800 0.114 0.000 0.978 703 D HN 0.323 nan 8.370 nan 0.000 0.456 704 L N 0.790 121.959 121.223 -0.089 0.000 2.395 704 L HA -0.021 4.322 4.340 0.004 0.000 0.218 704 L C 2.444 179.174 176.870 -0.234 0.000 1.130 704 L CA 0.072 54.721 54.840 -0.320 0.000 0.826 704 L CB -0.040 41.621 42.059 -0.664 0.000 0.941 704 L HN -0.081 nan 8.230 nan 0.000 0.451 705 V N -0.085 119.718 119.914 -0.186 0.000 2.490 705 V HA -0.283 3.839 4.120 0.004 0.000 0.250 705 V C 2.126 178.067 176.094 -0.256 0.000 1.061 705 V CA 1.789 63.935 62.300 -0.256 0.000 1.064 705 V CB -0.370 31.246 31.823 -0.344 0.000 0.670 705 V HN 0.296 nan 8.190 nan 0.000 0.461 706 F N 0.822 120.767 119.950 -0.009 0.000 2.451 706 F HA 0.088 4.618 4.527 0.004 0.000 0.299 706 F C 2.141 177.961 175.800 0.033 0.000 1.101 706 F CA 1.166 59.211 58.000 0.076 0.000 1.436 706 F CB -0.470 38.658 39.000 0.213 0.000 1.074 706 F HN 0.311 nan 8.300 nan 0.000 0.553 707 G N -2.153 106.674 108.800 0.046 0.000 3.126 707 G HA2 0.047 4.009 3.960 0.004 0.000 0.224 707 G HA3 0.047 4.009 3.960 0.004 0.000 0.224 707 G C 1.354 176.200 174.900 -0.089 0.000 1.142 707 G CA 0.713 45.782 45.100 -0.052 0.000 0.759 707 G HN 0.330 nan 8.290 nan 0.000 0.550 708 S N -0.950 114.695 115.700 -0.092 0.000 2.891 708 S HA 0.123 4.596 4.470 0.004 0.000 0.247 708 S C 0.735 175.285 174.600 -0.082 0.000 1.063 708 S CA -0.352 57.781 58.200 -0.111 0.000 0.857 708 S CB -0.288 62.819 63.200 -0.155 0.000 0.800 708 S HN 0.323 nan 8.310 nan 0.000 0.540 709 H N 2.710 121.690 119.070 -0.150 0.000 2.964 709 H HA 0.161 4.720 4.556 0.004 0.000 0.328 709 H C 1.476 176.748 175.328 -0.094 0.000 1.030 709 H CA 1.030 56.997 56.048 -0.136 0.000 1.445 709 H CB 1.304 30.971 29.762 -0.158 0.000 1.449 709 H HN 0.515 nan 8.280 nan 0.000 0.581 710 S N 3.014 118.516 115.700 -0.329 0.000 2.402 710 S HA -0.160 4.312 4.470 0.004 0.000 0.229 710 S C 1.749 176.352 174.600 0.006 0.000 1.021 710 S CA 0.981 59.087 58.200 -0.156 0.000 0.974 710 S CB 0.052 63.116 63.200 -0.226 0.000 0.800 710 S HN 0.731 nan 8.310 nan 0.000 0.484 711 Q N 0.633 120.526 119.800 0.154 0.000 2.062 711 Q HA 0.218 4.560 4.340 0.004 0.000 0.196 711 Q C 2.265 178.406 176.000 0.236 0.000 0.967 711 Q CA 1.071 57.013 55.803 0.232 0.000 0.832 711 Q CB -0.274 28.655 28.738 0.320 0.000 0.899 711 Q HN 0.513 nan 8.270 nan 0.000 0.442 712 L N 0.206 121.603 121.223 0.290 0.000 2.046 712 L HA -0.195 4.148 4.340 0.004 0.000 0.208 712 L C 2.610 179.634 176.870 0.256 0.000 1.077 712 L CA 1.214 56.171 54.840 0.195 0.000 0.747 712 L CB -0.409 41.619 42.059 -0.051 0.000 0.896 712 L HN 0.208 nan 8.230 nan 0.000 0.432 713 R N 0.290 120.902 120.500 0.187 0.000 2.120 713 R HA -0.152 4.190 4.340 0.004 0.000 0.234 713 R C 2.341 178.719 176.300 0.131 0.000 1.123 713 R CA 1.225 57.420 56.100 0.158 0.000 0.975 713 R CB -0.158 30.188 30.300 0.077 0.000 0.866 713 R HN 0.333 nan 8.270 nan 0.000 0.446 714 A N 1.113 123.995 122.820 0.104 0.000 1.908 714 A HA -0.155 4.168 4.320 0.004 0.000 0.218 714 A C 2.140 179.769 177.584 0.075 0.000 1.181 714 A CA 1.311 53.389 52.037 0.068 0.000 0.627 714 A CB -0.513 18.519 19.000 0.053 0.000 0.818 714 A HN 0.336 nan 8.150 nan 0.000 0.445 715 L N -0.974 120.331 121.223 0.137 0.000 2.056 715 L HA -0.152 4.191 4.340 0.004 0.000 0.207 715 L C 3.093 180.070 176.870 0.178 0.000 1.078 715 L CA 1.012 55.947 54.840 0.158 0.000 0.749 715 L CB -0.687 41.533 42.059 0.268 0.000 0.901 715 L HN 0.420 nan 8.230 nan 0.000 0.433 716 A N 0.091 123.075 122.820 0.272 0.000 1.940 716 A HA -0.234 4.089 4.320 0.004 0.000 0.219 716 A C 2.164 179.835 177.584 0.145 0.000 1.176 716 A CA 1.746 53.970 52.037 0.312 0.000 0.631 716 A CB -0.449 18.854 19.000 0.504 0.000 0.814 716 A HN 0.464 nan 8.150 nan 0.000 0.446 717 E N -0.471 119.784 120.200 0.092 0.000 2.077 717 E HA -0.126 4.226 4.350 0.004 0.000 0.193 717 E C 1.977 178.550 176.600 -0.046 0.000 0.989 717 E CA 1.258 57.678 56.400 0.032 0.000 0.800 717 E CB -0.266 29.447 29.700 0.022 0.000 0.746 717 E HN 0.415 nan 8.360 nan 0.000 0.452 718 V N 0.407 120.240 119.914 -0.134 0.000 2.287 718 V HA -0.276 3.847 4.120 0.004 0.000 0.248 718 V C 1.769 177.654 176.094 -0.348 0.000 1.053 718 V CA 1.842 63.971 62.300 -0.284 0.000 1.027 718 V CB -0.578 30.970 31.823 -0.459 0.000 0.646 718 V HN 0.333 nan 8.190 nan 0.000 0.447 719 Y N 0.489 120.659 120.300 -0.217 0.000 2.516 719 Y HA 0.123 4.676 4.550 0.005 0.000 0.291 719 Y C 2.317 178.088 175.900 -0.214 0.000 1.131 719 Y CA 0.728 58.630 58.100 -0.331 0.000 1.281 719 Y CB -0.261 37.675 38.460 -0.874 0.000 1.013 719 Y HN 0.316 nan 8.280 nan 0.000 0.554 720 G N -0.987 107.828 108.800 0.024 0.000 3.189 720 G HA2 0.055 4.017 3.960 0.004 0.000 0.225 720 G HA3 0.055 4.017 3.960 0.004 0.000 0.225 720 G C 0.256 175.189 174.900 0.054 0.000 1.159 720 G CA -0.141 45.023 45.100 0.107 0.000 0.763 720 G HN 0.067 nan 8.290 nan 0.000 0.549 721 S N -0.347 115.363 115.700 0.018 0.000 2.617 721 S HA 0.484 4.956 4.470 0.004 0.000 0.269 721 S C 1.612 176.228 174.600 0.026 0.000 1.292 721 S CA 0.013 58.220 58.200 0.011 0.000 1.010 721 S CB 1.668 64.858 63.200 -0.017 0.000 0.944 721 S HN 0.316 nan 8.310 nan 0.000 0.536 722 A N 1.384 124.219 122.820 0.025 0.000 2.067 722 A HA -0.105 4.218 4.320 0.004 0.000 0.219 722 A C 1.436 179.043 177.584 0.039 0.000 1.158 722 A CA 1.518 53.575 52.037 0.033 0.000 0.661 722 A CB -0.487 18.529 19.000 0.026 0.000 0.801 722 A HN 0.842 nan 8.150 nan 0.000 0.452 723 D N -1.082 119.336 120.400 0.030 0.000 2.325 723 D HA 0.349 4.992 4.640 0.004 0.000 0.225 723 D C 0.873 177.203 176.300 0.050 0.000 1.096 723 D CA 0.730 54.751 54.000 0.035 0.000 0.844 723 D CB -0.025 40.785 40.800 0.017 0.000 0.925 723 D HN 0.274 nan 8.370 nan 0.000 0.513 724 A N -0.245 122.616 122.820 0.067 0.000 2.431 724 A HA 0.121 4.443 4.320 0.004 0.000 0.239 724 A C 1.899 179.593 177.584 0.185 0.000 1.230 724 A CA -0.018 52.078 52.037 0.098 0.000 0.928 724 A CB 0.054 19.091 19.000 0.062 0.000 1.006 724 A HN 0.107 nan 8.150 nan 0.000 0.520 725 Q N 0.609 120.512 119.800 0.172 0.000 2.061 725 Q HA -0.175 4.168 4.340 0.004 0.000 0.204 725 Q C 1.833 177.975 176.000 0.238 0.000 0.984 725 Q CA 2.104 58.039 55.803 0.220 0.000 0.846 725 Q CB -0.109 28.762 28.738 0.221 0.000 0.902 725 Q HN 0.558 nan 8.270 nan 0.000 0.421 726 E N 0.076 120.410 120.200 0.223 0.000 2.106 726 E HA -0.171 4.181 4.350 0.004 0.000 0.192 726 E C 1.799 178.483 176.600 0.140 0.000 0.984 726 E CA 0.969 57.486 56.400 0.194 0.000 0.806 726 E CB -0.113 29.698 29.700 0.185 0.000 0.750 726 E HN 0.379 nan 8.360 nan 0.000 0.458 727 K N 0.058 120.552 120.400 0.157 0.000 2.032 727 K HA -0.185 4.138 4.320 0.004 0.000 0.209 727 K C 2.171 178.908 176.600 0.227 0.000 1.048 727 K CA 1.304 57.689 56.287 0.163 0.000 0.927 727 K CB -0.354 32.228 32.500 0.137 0.000 0.712 727 K HN 0.024 nan 8.250 nan 0.000 0.441 728 F N 1.300 121.362 119.950 0.186 0.000 2.095 728 F HA -0.219 4.310 4.527 0.004 0.000 0.298 728 F C 1.776 177.618 175.800 0.070 0.000 1.104 728 F CA 1.487 59.581 58.000 0.156 0.000 1.232 728 F CB -0.548 38.525 39.000 0.120 0.000 0.987 728 F HN -0.174 nan 8.300 nan 0.000 0.475 729 V N 1.264 121.069 119.914 -0.181 0.000 2.295 729 V HA -0.280 3.842 4.120 0.004 0.000 0.246 729 V C 2.671 178.664 176.094 -0.169 0.000 1.049 729 V CA 2.122 64.252 62.300 -0.283 0.000 1.024 729 V CB -0.678 30.995 31.823 -0.250 0.000 0.648 729 V HN 0.268 nan 8.190 nan 0.000 0.447 730 R N 0.116 120.577 120.500 -0.065 0.000 2.092 730 R HA -0.100 4.242 4.340 0.004 0.000 0.231 730 R C 1.939 178.220 176.300 -0.031 0.000 1.119 730 R CA 1.363 57.452 56.100 -0.018 0.000 0.970 730 R CB -0.958 29.357 30.300 0.024 0.000 0.864 730 R HN 0.517 nan 8.270 nan 0.000 0.440 731 D N 0.140 120.517 120.400 -0.039 0.000 2.144 731 D HA -0.130 4.512 4.640 0.004 0.000 0.200 731 D C 1.631 177.852 176.300 -0.132 0.000 0.978 731 D CA 0.710 54.686 54.000 -0.039 0.000 0.833 731 D CB -0.321 40.517 40.800 0.064 0.000 0.961 731 D HN 0.098 nan 8.370 nan 0.000 0.470 732 F N 1.261 120.975 119.950 -0.394 0.000 2.102 732 F HA -0.203 4.326 4.527 0.003 0.000 0.298 732 F C 2.191 177.899 175.800 -0.153 0.000 1.105 732 F CA 1.024 58.795 58.000 -0.381 0.000 1.239 732 F CB -0.285 38.315 39.000 -0.667 0.000 0.991 732 F HN -0.218 nan 8.300 nan 0.000 0.474 733 V N 0.639 120.538 119.914 -0.025 0.000 2.332 733 V HA -0.348 3.774 4.120 0.004 0.000 0.248 733 V C 2.717 178.798 176.094 -0.022 0.000 1.055 733 V CA 1.834 64.137 62.300 0.006 0.000 1.038 733 V CB -1.620 30.229 31.823 0.043 0.000 0.651 733 V HN 0.508 nan 8.190 nan 0.000 0.450 734 A N -0.636 122.151 122.820 -0.055 0.000 1.877 734 A HA -0.177 4.145 4.320 0.004 0.000 0.216 734 A C 2.461 179.993 177.584 -0.086 0.000 1.186 734 A CA 2.106 54.114 52.037 -0.048 0.000 0.620 734 A CB -0.737 18.244 19.000 -0.032 0.000 0.822 734 A HN 0.350 nan 8.150 nan 0.000 0.443 735 V N -0.754 119.071 119.914 -0.148 0.000 2.453 735 V HA -0.168 3.954 4.120 0.004 0.000 0.247 735 V C 2.023 178.003 176.094 -0.190 0.000 1.048 735 V CA 1.766 63.965 62.300 -0.168 0.000 1.049 735 V CB -0.478 31.237 31.823 -0.179 0.000 0.672 735 V HN 0.786 nan 8.190 nan 0.000 0.457 736 W N 1.041 122.038 121.300 -0.505 0.000 2.317 736 W HA -0.330 4.332 4.660 0.003 0.000 0.318 736 W C 2.299 178.702 176.519 -0.193 0.000 1.227 736 W CA 2.371 59.482 57.345 -0.391 0.000 1.269 736 W CB -0.611 28.576 29.460 -0.455 0.000 1.155 736 W HN 0.481 nan 8.180 nan 0.000 0.484 737 N N 0.950 119.635 118.700 -0.025 0.000 2.104 737 N HA -0.277 4.465 4.740 0.004 0.000 0.190 737 N C 1.911 177.300 175.510 -0.202 0.000 1.024 737 N CA 2.619 55.609 53.050 -0.100 0.000 0.853 737 N CB -0.733 37.749 38.487 -0.009 0.000 1.008 737 N HN 0.175 nan 8.380 nan 0.000 0.424 738 K N -0.107 120.185 120.400 -0.180 0.000 2.020 738 K HA -0.132 4.191 4.320 0.004 0.000 0.212 738 K C 1.727 178.156 176.600 -0.285 0.000 1.050 738 K CA 1.659 57.825 56.287 -0.202 0.000 0.929 738 K CB -0.283 32.129 32.500 -0.147 0.000 0.714 738 K HN 0.058 nan 8.250 nan 0.000 0.443 739 V N 1.423 121.149 119.914 -0.314 0.000 2.343 739 V HA -0.266 3.857 4.120 0.004 0.000 0.247 739 V C 2.466 178.282 176.094 -0.464 0.000 1.051 739 V CA 1.583 63.656 62.300 -0.379 0.000 1.036 739 V CB -0.383 31.237 31.823 -0.339 0.000 0.654 739 V HN 0.432 nan 8.190 nan 0.000 0.451 740 M N 0.142 119.434 119.600 -0.514 0.000 2.279 740 M HA -0.071 4.412 4.480 0.004 0.000 0.264 740 M C 1.286 177.372 176.300 -0.356 0.000 1.062 740 M CA 1.348 56.377 55.300 -0.450 0.000 1.099 740 M CB -1.146 31.200 32.600 -0.424 0.000 1.394 740 M HN 0.384 nan 8.290 nan 0.000 0.426 741 N N 0.067 118.548 118.700 -0.365 0.000 2.214 741 N HA 0.204 4.947 4.740 0.004 0.000 0.214 741 N C 1.493 176.696 175.510 -0.512 0.000 1.132 741 N CA 0.066 52.890 53.050 -0.377 0.000 0.856 741 N CB 0.199 38.500 38.487 -0.310 0.000 1.020 741 N HN 0.327 nan 8.380 nan 0.000 0.509 742 L N 0.655 121.503 121.223 -0.625 0.000 2.127 742 L HA -0.176 4.167 4.340 0.004 0.000 0.211 742 L C 1.311 177.405 176.870 -1.293 0.000 1.089 742 L CA 1.317 55.566 54.840 -0.984 0.000 0.757 742 L CB -0.153 41.137 42.059 -1.282 0.000 0.899 742 L HN 0.134 nan 8.230 nan 0.000 0.434 743 D N -1.565 118.292 120.400 -0.905 0.000 2.342 743 D HA -0.064 4.578 4.640 0.004 0.000 0.221 743 D C 0.785 176.715 176.300 -0.616 0.000 1.101 743 D CA -0.056 53.591 54.000 -0.589 0.000 0.837 743 D CB -0.018 40.753 40.800 -0.048 0.000 0.938 743 D HN -0.001 nan 8.370 nan 0.000 0.508 744 R N 0.845 120.915 120.500 -0.716 0.000 4.390 744 R HA 0.191 4.534 4.340 0.004 0.000 0.229 744 R C 0.073 176.112 176.300 -0.435 0.000 1.674 744 R CA -0.386 55.448 56.100 -0.444 0.000 1.526 744 R CB -1.208 28.881 30.300 -0.353 0.000 1.418 744 R HN 0.248 nan 8.270 nan 0.000 0.790 745 F N 0.606 120.513 119.950 -0.073 0.000 2.604 745 F HA -0.113 4.416 4.527 0.003 0.000 0.298 745 F C 2.006 177.776 175.800 -0.050 0.000 1.131 745 F CA 0.610 58.582 58.000 -0.045 0.000 1.457 745 F CB 0.102 39.097 39.000 -0.010 0.000 1.095 745 F HN 0.247 nan 8.300 nan 0.000 0.574 746 D N 0.819 121.256 120.400 0.062 0.000 2.264 746 D HA -0.163 4.480 4.640 0.004 0.000 0.208 746 D C 1.551 177.831 176.300 -0.034 0.000 0.966 746 D CA 1.158 55.160 54.000 0.004 0.000 0.864 746 D CB -0.470 40.313 40.800 -0.029 0.000 0.933 746 D HN 0.354 nan 8.370 nan 0.000 0.499 747 L N -0.314 120.869 121.223 -0.068 0.000 2.616 747 L HA 0.378 4.720 4.340 0.004 0.000 0.229 747 L C 1.451 178.286 176.870 -0.059 0.000 1.110 747 L CA -0.315 54.477 54.840 -0.081 0.000 0.884 747 L CB 0.089 42.071 42.059 -0.128 0.000 1.115 747 L HN -0.038 nan 8.230 nan 0.000 0.481 748 A N 0.000 122.803 122.820 -0.028 0.000 2.254 748 A HA 0.000 4.322 4.320 0.004 0.000 0.244 748 A CA 0.000 52.044 52.037 0.013 0.000 0.836 748 A CB 0.000 19.056 19.000 0.094 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486