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 2dv2_1_A DATA FIRST_RESID 35 DATA SEQUENCE NGTSNRDWWP NQLDLSILHR HSSLSDPMGK DFNYAQAFEK LDLAAVKRDL DATA SEQUENCE HALMTTSQDW WPADFGHYGG LFIRMAXHSA 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 0.000 175.465 175.510 -0.074 0.000 1.280 35 N CA 0.000 53.013 53.050 -0.062 0.000 0.885 35 N CB 0.000 38.460 38.487 -0.044 0.000 1.341 36 G N 1.469 110.236 108.800 -0.055 0.000 2.254 36 G HA2 0.409 4.369 3.960 0.001 0.000 0.253 36 G HA3 0.409 4.369 3.960 0.001 0.000 0.253 36 G C 0.223 175.070 174.900 -0.089 0.000 1.246 36 G CA 1.239 46.311 45.100 -0.047 0.000 0.946 36 G HN 0.564 nan 8.290 nan 0.000 0.474 37 T N 1.732 116.218 114.554 -0.114 0.000 2.869 37 T HA 0.468 4.818 4.350 0.001 0.000 0.295 37 T C 0.862 175.457 174.700 -0.176 0.000 0.987 37 T CA -0.071 61.862 62.100 -0.278 0.000 1.109 37 T CB 1.148 69.734 68.868 -0.471 0.000 0.932 37 T HN 0.818 nan 8.240 nan 0.000 0.518 38 S N 2.380 117.929 115.700 -0.251 0.000 2.726 38 S HA 0.425 4.895 4.470 0.001 0.000 0.308 38 S C 0.980 175.574 174.600 -0.009 0.000 1.115 38 S CA -0.969 57.199 58.200 -0.055 0.000 0.965 38 S CB 1.126 64.303 63.200 -0.038 0.000 1.145 38 S HN 0.465 nan 8.310 nan 0.000 0.532 39 N N 0.717 119.542 118.700 0.207 0.000 2.166 39 N HA -0.049 4.691 4.740 0.001 0.000 0.186 39 N C 1.605 177.281 175.510 0.277 0.000 1.019 39 N CA 0.948 54.245 53.050 0.412 0.000 0.856 39 N CB -0.666 38.086 38.487 0.442 0.000 0.993 39 N HN 0.567 nan 8.380 nan 0.000 0.426 40 R N 1.242 121.820 120.500 0.131 0.000 2.127 40 R HA -0.057 4.283 4.340 0.001 0.000 0.238 40 R C 1.152 177.429 176.300 -0.038 0.000 1.134 40 R CA 1.186 57.328 56.100 0.070 0.000 0.975 40 R CB -0.241 30.080 30.300 0.036 0.000 0.865 40 R HN 0.241 nan 8.270 nan 0.000 0.447 41 D N -1.485 118.804 120.400 -0.184 0.000 2.117 41 D HA -0.161 4.479 4.640 0.001 0.000 0.198 41 D C 1.730 177.779 176.300 -0.418 0.000 0.982 41 D CA 1.160 54.947 54.000 -0.355 0.000 0.828 41 D CB -0.327 40.126 40.800 -0.580 0.000 0.967 41 D HN 0.329 nan 8.370 nan 0.000 0.464 42 W N -0.255 120.779 121.300 -0.443 0.000 2.409 42 W HA -0.033 4.627 4.660 0.000 0.000 0.299 42 W C 0.708 176.630 176.519 -0.996 0.000 1.203 42 W CA -0.002 56.782 57.345 -0.935 0.000 1.298 42 W CB 0.101 28.467 29.460 -1.823 0.000 1.127 42 W HN -0.072 nan 8.180 nan 0.000 0.528 43 W N 1.270 122.706 121.300 0.227 0.000 2.319 43 W HA 0.246 4.906 4.660 0.000 0.000 0.288 43 W C -1.953 174.611 176.519 0.075 0.000 0.959 43 W CA -2.035 55.384 57.345 0.124 0.000 1.784 43 W CB -0.309 29.209 29.460 0.097 0.000 1.848 43 W HN -0.158 nan 8.180 nan 0.000 0.408 44 P HA -0.128 nan 4.420 nan 0.000 0.223 44 P C 0.792 178.153 177.300 0.102 0.000 1.151 44 P CA 1.449 64.604 63.100 0.091 0.000 0.787 44 P CB 0.481 32.201 31.700 0.034 0.000 0.788 45 N N -0.758 118.016 118.700 0.124 0.000 2.230 45 N HA 0.035 4.775 4.740 0.001 0.000 0.202 45 N C 0.779 176.351 175.510 0.102 0.000 1.119 45 N CA 0.080 53.185 53.050 0.093 0.000 0.851 45 N CB 0.027 38.560 38.487 0.078 0.000 0.990 45 N HN 0.220 nan 8.380 nan 0.000 0.497 46 Q N 0.934 120.823 119.800 0.148 0.000 2.394 46 Q HA 0.194 4.534 4.340 0.001 0.000 0.248 46 Q C -0.556 175.522 176.000 0.130 0.000 0.992 46 Q CA -0.366 55.519 55.803 0.136 0.000 0.888 46 Q CB 0.580 29.408 28.738 0.149 0.000 1.257 46 Q HN 0.082 nan 8.270 nan 0.000 0.462 47 L N 2.804 124.120 121.223 0.156 0.000 2.367 47 L HA 0.218 4.559 4.340 0.001 0.000 0.275 47 L C -0.840 176.098 176.870 0.112 0.000 1.129 47 L CA 0.481 55.367 54.840 0.076 0.000 0.839 47 L CB 0.834 42.876 42.059 -0.029 0.000 1.133 47 L HN 0.663 nan 8.230 nan 0.000 0.453 48 D N 4.023 124.450 120.400 0.044 0.000 2.359 48 D HA 0.190 4.830 4.640 0.001 0.000 0.230 48 D C 0.680 176.978 176.300 -0.003 0.000 1.118 48 D CA -0.018 54.014 54.000 0.054 0.000 0.844 48 D CB 0.666 41.493 40.800 0.044 0.000 1.059 48 D HN 0.575 nan 8.370 nan 0.000 0.493 49 L N 2.596 123.828 121.223 0.014 0.000 2.558 49 L HA -0.016 4.324 4.340 0.001 0.000 0.225 49 L C 2.144 178.978 176.870 -0.060 0.000 1.128 49 L CA 0.273 55.086 54.840 -0.046 0.000 0.868 49 L CB -0.170 41.896 42.059 0.012 0.000 1.006 49 L HN 0.393 nan 8.230 nan 0.000 0.454 50 S N 0.646 116.363 115.700 0.030 0.000 2.447 50 S HA -0.171 4.299 4.470 0.001 0.000 0.233 50 S C 1.895 176.471 174.600 -0.040 0.000 1.006 50 S CA 0.866 59.101 58.200 0.058 0.000 0.957 50 S CB -0.675 62.567 63.200 0.071 0.000 0.773 50 S HN 0.611 nan 8.310 nan 0.000 0.507 51 I N -1.093 119.436 120.570 -0.070 0.000 2.756 51 I HA 0.029 4.199 4.170 0.001 0.000 0.262 51 I C 1.772 177.822 176.117 -0.112 0.000 1.225 51 I CA 1.137 62.394 61.300 -0.073 0.000 1.472 51 I CB -0.421 37.548 38.000 -0.051 0.000 1.094 51 I HN 0.219 nan 8.210 nan 0.000 0.454 52 L N 0.177 121.250 121.223 -0.251 0.000 2.509 52 L HA 0.064 4.404 4.340 0.001 0.000 0.222 52 L C 1.135 177.796 176.870 -0.349 0.000 1.123 52 L CA 0.625 55.266 54.840 -0.332 0.000 0.856 52 L CB -0.580 41.201 42.059 -0.464 0.000 0.985 52 L HN 0.380 nan 8.230 nan 0.000 0.456 53 H N -1.333 117.753 119.070 0.027 0.000 2.581 53 H HA 0.248 4.805 4.556 0.001 0.000 0.275 53 H C 0.247 175.564 175.328 -0.017 0.000 1.126 53 H CA -0.612 55.449 56.048 0.023 0.000 1.097 53 H CB 0.475 30.253 29.762 0.028 0.000 1.626 53 H HN 0.008 nan 8.280 nan 0.000 0.565 54 R N 0.777 121.271 120.500 -0.010 0.000 2.560 54 R HA 0.107 4.447 4.340 0.001 0.000 0.270 54 R C 0.042 176.272 176.300 -0.118 0.000 1.074 54 R CA -0.269 55.697 56.100 -0.223 0.000 1.140 54 R CB 0.316 30.285 30.300 -0.553 0.000 1.073 54 R HN 0.571 nan 8.270 nan 0.000 0.527 55 H N -2.137 116.979 119.070 0.078 0.000 2.886 55 H HA -0.137 4.419 4.556 0.001 0.000 0.294 55 H C 0.081 175.478 175.328 0.115 0.000 1.246 55 H CA 0.526 56.638 56.048 0.106 0.000 1.142 55 H CB -2.044 27.777 29.762 0.098 0.000 1.358 55 H HN 0.693 nan 8.280 nan 0.000 0.406 56 S N -0.394 115.393 115.700 0.146 0.000 2.608 56 S HA 0.253 4.723 4.470 0.001 0.000 0.261 56 S C 1.777 176.447 174.600 0.117 0.000 1.314 56 S CA -0.075 58.198 58.200 0.120 0.000 0.992 56 S CB 1.808 65.055 63.200 0.079 0.000 0.935 56 S HN 0.447 nan 8.310 nan 0.000 0.564 57 S N 0.943 116.697 115.700 0.091 0.000 2.442 57 S HA -0.085 4.385 4.470 0.001 0.000 0.236 57 S C 1.718 176.341 174.600 0.038 0.000 1.007 57 S CA 0.814 59.056 58.200 0.070 0.000 0.965 57 S CB -1.000 62.236 63.200 0.059 0.000 0.773 57 S HN 0.658 nan 8.310 nan 0.000 0.504 58 L N 2.087 123.330 121.223 0.035 0.000 2.017 58 L HA -0.094 4.246 4.340 0.001 0.000 0.208 58 L C 2.996 179.868 176.870 0.004 0.000 1.073 58 L CA 1.651 56.499 54.840 0.014 0.000 0.745 58 L CB -0.910 41.158 42.059 0.015 0.000 0.894 58 L HN 0.590 nan 8.230 nan 0.000 0.432 59 S N -2.271 113.446 115.700 0.028 0.000 2.562 59 S HA -0.051 4.419 4.470 0.001 0.000 0.221 59 S C 0.622 175.222 174.600 -0.001 0.000 0.975 59 S CA -0.144 58.078 58.200 0.036 0.000 0.918 59 S CB -0.281 62.966 63.200 0.079 0.000 0.772 59 S HN 0.280 nan 8.310 nan 0.000 0.531 60 D N 2.899 123.265 120.400 -0.056 0.000 2.317 60 D HA 0.313 4.953 4.640 0.001 0.000 0.234 60 D C -1.487 174.581 176.300 -0.387 0.000 1.112 60 D CA -2.281 51.556 54.000 -0.272 0.000 0.840 60 D CB 1.778 42.561 40.800 -0.028 0.000 1.078 60 D HN 0.058 nan 8.370 nan 0.000 0.486 61 P HA 0.018 nan 4.420 nan 0.000 0.241 61 P C 0.255 177.323 177.300 -0.388 0.000 1.191 61 P CA 0.166 62.971 63.100 -0.491 0.000 0.771 61 P CB 0.230 31.563 31.700 -0.611 0.000 0.929 62 M N 0.231 119.593 119.600 -0.398 0.000 2.288 62 M HA 0.356 4.836 4.480 0.001 0.000 0.334 62 M C 1.286 177.548 176.300 -0.064 0.000 1.150 62 M CA -0.988 54.158 55.300 -0.256 0.000 1.118 62 M CB -0.079 32.359 32.600 -0.270 0.000 1.501 62 M HN -0.186 nan 8.290 nan 0.000 0.462 63 G N 1.188 109.990 108.800 0.004 0.000 2.771 63 G HA2 -0.016 3.944 3.960 0.001 0.000 0.242 63 G HA3 -0.016 3.944 3.960 0.001 0.000 0.242 63 G C 0.729 175.701 174.900 0.120 0.000 1.233 63 G CA -0.290 44.849 45.100 0.064 0.000 0.858 63 G HN 0.881 nan 8.290 nan 0.000 0.591 64 K N -0.843 119.613 120.400 0.092 0.000 2.211 64 K HA -0.053 4.268 4.320 0.001 0.000 0.203 64 K C 0.908 177.580 176.600 0.119 0.000 1.050 64 K CA 1.148 57.494 56.287 0.098 0.000 0.945 64 K CB 0.162 32.702 32.500 0.067 0.000 0.732 64 K HN 0.416 nan 8.250 nan 0.000 0.451 65 D N -0.130 120.346 120.400 0.125 0.000 2.342 65 D HA -0.039 4.602 4.640 0.001 0.000 0.221 65 D C -0.250 176.146 176.300 0.160 0.000 1.101 65 D CA -0.055 54.014 54.000 0.115 0.000 0.837 65 D CB -0.066 40.787 40.800 0.088 0.000 0.938 65 D HN 0.050 nan 8.370 nan 0.000 0.508 66 F N 2.447 122.446 119.950 0.081 0.000 2.504 66 F HA 0.182 4.709 4.527 0.001 0.000 0.369 66 F C 0.309 176.190 175.800 0.135 0.000 1.082 66 F CA -0.555 57.511 58.000 0.109 0.000 1.216 66 F CB 0.442 39.517 39.000 0.125 0.000 1.108 66 F HN -0.272 nan 8.300 nan 0.000 0.554 67 N N 6.104 124.450 118.700 -0.590 0.000 2.518 67 N HA 0.015 4.756 4.740 0.001 0.000 0.254 67 N C 0.221 175.269 175.510 -0.770 0.000 0.979 67 N CA -0.356 52.394 53.050 -0.499 0.000 0.930 67 N CB 0.533 38.903 38.487 -0.195 0.000 1.152 67 N HN 0.816 nan 8.380 nan 0.000 0.505 68 Y N 4.727 124.569 120.300 -0.763 0.000 2.200 68 Y HA -0.034 4.516 4.550 0.000 0.000 0.290 68 Y C 1.996 177.840 175.900 -0.092 0.000 1.137 68 Y CA 2.118 59.963 58.100 -0.424 0.000 1.163 68 Y CB -0.263 38.167 38.460 -0.051 0.000 0.988 68 Y HN 0.641 nan 8.280 nan 0.000 0.518 69 A N 0.634 123.293 122.820 -0.270 0.000 1.892 69 A HA -0.341 3.979 4.320 0.001 0.000 0.218 69 A C 2.316 179.805 177.584 -0.158 0.000 1.188 69 A CA 2.268 54.173 52.037 -0.220 0.000 0.631 69 A CB -1.139 17.814 19.000 -0.078 0.000 0.822 69 A HN 0.714 nan 8.150 nan 0.000 0.447 70 Q N -0.634 119.082 119.800 -0.141 0.000 2.167 70 Q HA -0.028 4.312 4.340 0.001 0.000 0.202 70 Q C 2.031 177.992 176.000 -0.065 0.000 0.970 70 Q CA 1.535 57.288 55.803 -0.083 0.000 0.855 70 Q CB -0.352 28.345 28.738 -0.068 0.000 0.911 70 Q HN 0.560 nan 8.270 nan 0.000 0.438 71 A N 0.443 123.213 122.820 -0.082 0.000 1.872 71 A HA -0.118 4.202 4.320 0.001 0.000 0.214 71 A C 1.832 179.403 177.584 -0.022 0.000 1.187 71 A CA 1.010 53.072 52.037 0.041 0.000 0.614 71 A CB -0.920 18.253 19.000 0.288 0.000 0.826 71 A HN 0.597 nan 8.150 nan 0.000 0.442 72 F N 1.074 120.823 119.950 -0.336 0.000 2.134 72 F HA -0.140 4.387 4.527 0.000 0.000 0.299 72 F C 2.116 177.829 175.800 -0.145 0.000 1.097 72 F CA 2.097 59.915 58.000 -0.304 0.000 1.264 72 F CB -0.187 38.463 39.000 -0.584 0.000 1.001 72 F HN 0.347 nan 8.300 nan 0.000 0.479 73 E N -0.316 119.838 120.200 -0.077 0.000 2.338 73 E HA -0.159 4.192 4.350 0.001 0.000 0.197 73 E C 1.481 177.993 176.600 -0.147 0.000 1.007 73 E CA 0.634 56.983 56.400 -0.085 0.000 0.849 73 E CB -0.019 29.680 29.700 -0.001 0.000 0.774 73 E HN 0.291 nan 8.360 nan 0.000 0.506 74 K N 0.535 120.853 120.400 -0.135 0.000 2.374 74 K HA 0.083 4.404 4.320 0.001 0.000 0.196 74 K C 0.302 176.820 176.600 -0.137 0.000 1.023 74 K CA -0.217 56.007 56.287 -0.106 0.000 1.103 74 K CB 0.056 32.530 32.500 -0.043 0.000 0.848 74 K HN 0.067 nan 8.250 nan 0.000 0.528 75 L N 2.694 123.759 121.223 -0.262 0.000 2.455 75 L HA 0.011 4.351 4.340 0.001 0.000 0.272 75 L C 0.167 176.892 176.870 -0.242 0.000 1.174 75 L CA 0.329 55.010 54.840 -0.265 0.000 0.869 75 L CB 0.382 42.142 42.059 -0.497 0.000 1.130 75 L HN -0.030 nan 8.230 nan 0.000 0.474 76 D N 4.288 124.612 120.400 -0.127 0.000 2.498 76 D HA -0.033 4.607 4.640 0.001 0.000 0.229 76 D C 1.111 177.294 176.300 -0.195 0.000 1.188 76 D CA -0.035 53.898 54.000 -0.112 0.000 1.028 76 D CB 0.209 41.003 40.800 -0.011 0.000 1.087 76 D HN 0.640 nan 8.370 nan 0.000 0.510 77 L N 3.981 125.063 121.223 -0.236 0.000 2.079 77 L HA -0.147 4.193 4.340 0.001 0.000 0.210 77 L C 2.127 178.886 176.870 -0.185 0.000 1.081 77 L CA 2.141 56.839 54.840 -0.236 0.000 0.752 77 L CB -0.483 41.475 42.059 -0.168 0.000 0.896 77 L HN 0.377 nan 8.230 nan 0.000 0.433 78 A N -0.716 122.027 122.820 -0.128 0.000 1.940 78 A HA -0.139 4.181 4.320 0.001 0.000 0.219 78 A C 2.425 179.955 177.584 -0.091 0.000 1.176 78 A CA 1.846 53.825 52.037 -0.096 0.000 0.631 78 A CB -1.062 17.898 19.000 -0.067 0.000 0.814 78 A HN 0.567 nan 8.150 nan 0.000 0.446 79 A N -0.656 122.115 122.820 -0.082 0.000 1.929 79 A HA 0.100 4.420 4.320 0.001 0.000 0.216 79 A C 2.174 179.723 177.584 -0.059 0.000 1.176 79 A CA 1.481 53.510 52.037 -0.012 0.000 0.628 79 A CB -0.787 18.266 19.000 0.087 0.000 0.816 79 A HN 0.385 nan 8.150 nan 0.000 0.444 80 V N 0.394 120.109 119.914 -0.331 0.000 2.332 80 V HA -0.289 3.831 4.120 0.001 0.000 0.248 80 V C 2.368 178.329 176.094 -0.222 0.000 1.055 80 V CA 2.381 64.379 62.300 -0.504 0.000 1.038 80 V CB -0.723 30.679 31.823 -0.702 0.000 0.651 80 V HN 0.539 nan 8.190 nan 0.000 0.450 81 K N -0.330 119.965 120.400 -0.176 0.000 2.155 81 K HA -0.063 4.258 4.320 0.001 0.000 0.203 81 K C 2.398 178.978 176.600 -0.034 0.000 1.052 81 K CA 0.923 57.140 56.287 -0.116 0.000 0.948 81 K CB -0.181 32.243 32.500 -0.127 0.000 0.728 81 K HN 0.402 nan 8.250 nan 0.000 0.448 82 R N 0.885 121.374 120.500 -0.019 0.000 2.075 82 R HA -0.098 4.242 4.340 0.001 0.000 0.232 82 R C 1.636 177.986 176.300 0.084 0.000 1.126 82 R CA 1.319 57.445 56.100 0.044 0.000 0.963 82 R CB -0.173 30.144 30.300 0.028 0.000 0.858 82 R HN 0.204 nan 8.270 nan 0.000 0.435 83 D N 0.932 121.367 120.400 0.058 0.000 2.117 83 D HA -0.138 4.502 4.640 0.001 0.000 0.197 83 D C 2.029 178.353 176.300 0.041 0.000 0.987 83 D CA 1.078 55.118 54.000 0.066 0.000 0.829 83 D CB -0.161 40.709 40.800 0.118 0.000 0.961 83 D HN 0.157 nan 8.370 nan 0.000 0.460 84 L N -0.015 121.211 121.223 0.005 0.000 2.046 84 L HA -0.199 4.141 4.340 0.001 0.000 0.208 84 L C 2.474 179.366 176.870 0.037 0.000 1.077 84 L CA 1.062 55.885 54.840 -0.028 0.000 0.747 84 L CB -0.477 41.524 42.059 -0.097 0.000 0.896 84 L HN 0.109 nan 8.230 nan 0.000 0.432 85 H N 0.149 119.204 119.070 -0.025 0.000 2.319 85 H HA -0.199 4.358 4.556 0.000 0.000 0.297 85 H C 2.126 177.458 175.328 0.006 0.000 1.097 85 H CA 1.765 57.813 56.048 -0.001 0.000 1.285 85 H CB 0.001 29.761 29.762 -0.002 0.000 1.368 85 H HN 0.305 nan 8.280 nan 0.000 0.495 86 A N 0.316 123.122 122.820 -0.024 0.000 1.933 86 A HA -0.113 4.207 4.320 0.001 0.000 0.218 86 A C 2.411 179.976 177.584 -0.031 0.000 1.175 86 A CA 1.499 53.503 52.037 -0.055 0.000 0.628 86 A CB -0.930 18.079 19.000 0.015 0.000 0.814 86 A HN 0.479 nan 8.150 nan 0.000 0.444 87 L N -0.702 120.536 121.223 0.026 0.000 2.079 87 L HA -0.189 4.152 4.340 0.001 0.000 0.210 87 L C 2.276 179.250 176.870 0.174 0.000 1.081 87 L CA 2.000 56.905 54.840 0.108 0.000 0.752 87 L CB -0.532 41.596 42.059 0.114 0.000 0.896 87 L HN 0.312 nan 8.230 nan 0.000 0.433 88 M N -0.455 119.183 119.600 0.063 0.000 2.143 88 M HA -0.170 4.310 4.480 0.001 0.000 0.258 88 M C 1.727 177.885 176.300 -0.237 0.000 1.071 88 M CA 2.184 57.463 55.300 -0.035 0.000 1.088 88 M CB -1.983 30.411 32.600 -0.343 0.000 1.360 88 M HN 0.609 nan 8.290 nan 0.000 0.404 89 T N -3.918 110.492 114.554 -0.240 0.000 3.215 89 T HA 0.190 4.540 4.350 0.001 0.000 0.271 89 T C 0.291 174.926 174.700 -0.108 0.000 1.012 89 T CA -0.273 61.691 62.100 -0.226 0.000 0.899 89 T CB -0.397 68.346 68.868 -0.209 0.000 1.089 89 T HN 0.111 nan 8.240 nan 0.000 0.552 90 T N 2.325 116.873 114.554 -0.009 0.000 3.149 90 T HA 0.419 4.770 4.350 0.001 0.000 0.373 90 T C 0.100 174.860 174.700 0.101 0.000 1.364 90 T CA -0.386 61.737 62.100 0.038 0.000 1.110 90 T CB 0.743 69.652 68.868 0.069 0.000 1.127 90 T HN 0.328 nan 8.240 nan 0.000 0.576 91 S N 3.398 119.078 115.700 -0.033 0.000 2.537 91 S HA 0.088 4.558 4.470 0.001 0.000 0.286 91 S C 0.097 174.703 174.600 0.010 0.000 1.299 91 S CA -0.283 57.880 58.200 -0.062 0.000 1.067 91 S CB 0.248 63.355 63.200 -0.155 0.000 0.864 91 S HN 0.434 nan 8.310 nan 0.000 0.494 92 Q N 3.244 123.038 119.800 -0.010 0.000 2.271 92 Q HA 0.240 4.580 4.340 0.001 0.000 0.258 92 Q C 0.147 175.968 176.000 -0.298 0.000 0.936 92 Q CA -0.650 55.011 55.803 -0.237 0.000 0.909 92 Q CB 1.562 29.928 28.738 -0.620 0.000 1.253 92 Q HN 0.665 nan 8.270 nan 0.000 0.440 93 D N 1.677 121.993 120.400 -0.140 0.000 2.263 93 D HA -0.138 4.502 4.640 0.001 0.000 0.208 93 D C 1.579 177.896 176.300 0.028 0.000 0.971 93 D CA 0.893 54.870 54.000 -0.039 0.000 0.867 93 D CB 0.126 40.951 40.800 0.042 0.000 0.929 93 D HN 0.693 nan 8.370 nan 0.000 0.492 94 W N -1.548 119.842 121.300 0.150 0.000 2.595 94 W HA 0.029 4.689 4.660 0.001 0.000 0.257 94 W C 0.336 177.063 176.519 0.347 0.000 1.267 94 W CA -0.162 57.298 57.345 0.191 0.000 1.300 94 W CB -0.457 29.105 29.460 0.171 0.000 1.120 94 W HN -0.029 nan 8.180 nan 0.000 0.618 95 W N 3.349 124.486 121.300 -0.271 0.000 1.982 95 W HA 0.250 4.911 4.660 0.001 0.000 0.299 95 W C -2.869 173.597 176.519 -0.088 0.000 1.011 95 W CA -1.946 55.320 57.345 -0.132 0.000 1.324 95 W CB 0.614 29.997 29.460 -0.128 0.000 1.372 95 W HN -0.363 nan 8.180 nan 0.000 0.323 96 P HA 0.021 nan 4.420 nan 0.000 0.266 96 P C -0.061 177.174 177.300 -0.108 0.000 1.195 96 P CA 0.632 63.649 63.100 -0.138 0.000 0.768 96 P CB 0.789 32.425 31.700 -0.108 0.000 0.838 97 A N 3.123 125.771 122.820 -0.286 0.000 2.404 97 A HA 0.140 4.460 4.320 0.001 0.000 0.273 97 A C 0.054 177.407 177.584 -0.386 0.000 1.144 97 A CA -0.320 51.376 52.037 -0.568 0.000 0.806 97 A CB -0.447 17.842 19.000 -1.184 0.000 1.080 97 A HN 0.439 nan 8.150 nan 0.000 0.509 98 D N 2.054 122.279 120.400 -0.291 0.000 2.493 98 D HA 0.165 4.805 4.640 0.001 0.000 0.240 98 D C 0.381 176.404 176.300 -0.461 0.000 1.142 98 D CA 0.793 54.417 54.000 -0.627 0.000 0.872 98 D CB -0.252 40.412 40.800 -0.226 0.000 1.173 98 D HN 0.507 nan 8.370 nan 0.000 0.467 99 F N 0.410 120.014 119.950 -0.576 0.000 3.069 99 F HA -0.251 4.277 4.527 0.001 0.000 0.285 99 F C 1.584 177.254 175.800 -0.217 0.000 0.827 99 F CA 0.499 58.310 58.000 -0.316 0.000 1.108 99 F CB -2.055 36.853 39.000 -0.153 0.000 1.252 99 F HN 0.635 nan 8.300 nan 0.000 0.483 100 G N -0.694 107.989 108.800 -0.194 0.000 2.168 100 G HA2 -0.332 3.629 3.960 0.001 0.000 0.257 100 G HA3 -0.332 3.629 3.960 0.001 0.000 0.257 100 G C -0.115 174.720 174.900 -0.109 0.000 0.997 100 G CA 0.519 45.528 45.100 -0.152 0.000 0.708 100 G HN 0.949 nan 8.290 nan 0.000 0.520 101 H N -1.576 117.392 119.070 -0.171 0.000 2.934 101 H HA 0.392 4.948 4.556 0.001 0.000 0.340 101 H C 0.117 175.401 175.328 -0.073 0.000 1.008 101 H CA -0.844 55.150 56.048 -0.090 0.000 1.317 101 H CB 0.847 30.627 29.762 0.030 0.000 1.670 101 H HN 0.043 nan 8.280 nan 0.000 0.516 102 Y N 2.827 123.207 120.300 0.133 0.000 2.578 102 Y HA 0.019 4.570 4.550 0.001 0.000 0.297 102 Y C 2.240 178.233 175.900 0.154 0.000 1.176 102 Y CA 0.831 58.948 58.100 0.028 0.000 1.315 102 Y CB -0.062 38.284 38.460 -0.190 0.000 1.031 102 Y HN 0.808 nan 8.280 nan 0.000 0.524 103 G N 0.301 109.492 108.800 0.653 0.000 2.491 103 G HA2 -0.310 3.651 3.960 0.001 0.000 0.218 103 G HA3 -0.310 3.651 3.960 0.001 0.000 0.218 103 G C 2.100 177.123 174.900 0.205 0.000 1.180 103 G CA 1.062 46.418 45.100 0.426 0.000 0.774 103 G HN 0.500 nan 8.290 nan 0.000 0.562 104 G N 0.752 109.669 108.800 0.195 0.000 2.476 104 G HA2 -0.202 3.758 3.960 0.001 0.000 0.218 104 G HA3 -0.202 3.758 3.960 0.001 0.000 0.218 104 G C 1.783 176.813 174.900 0.217 0.000 1.164 104 G CA 1.181 46.417 45.100 0.226 0.000 0.768 104 G HN 0.438 nan 8.290 nan 0.000 0.560 105 L N -0.374 120.957 121.223 0.180 0.000 2.012 105 L HA 0.024 4.364 4.340 0.001 0.000 0.210 105 L C 2.509 179.419 176.870 0.066 0.000 1.073 105 L CA 1.688 56.575 54.840 0.078 0.000 0.748 105 L CB -0.617 41.430 42.059 -0.020 0.000 0.891 105 L HN 0.181 nan 8.230 nan 0.000 0.431 106 F N -0.662 119.388 119.950 0.166 0.000 2.259 106 F HA -0.060 4.467 4.527 0.000 0.000 0.298 106 F C 2.327 178.209 175.800 0.137 0.000 1.088 106 F CA 0.925 59.002 58.000 0.128 0.000 1.358 106 F CB -0.725 38.349 39.000 0.123 0.000 1.040 106 F HN 0.042 nan 8.300 nan 0.000 0.505 107 I N -0.241 120.497 120.570 0.280 0.000 2.179 107 I HA -0.305 3.865 4.170 0.001 0.000 0.242 107 I C 2.712 179.018 176.117 0.316 0.000 1.088 107 I CA 1.332 62.765 61.300 0.221 0.000 1.357 107 I CB -0.447 37.548 38.000 -0.009 0.000 1.051 107 I HN 0.020 nan 8.210 nan 0.000 0.409 108 R N 1.140 121.781 120.500 0.235 0.000 2.091 108 R HA -0.247 4.094 4.340 0.001 0.000 0.238 108 R C 2.427 178.777 176.300 0.083 0.000 1.136 108 R CA 1.882 58.079 56.100 0.162 0.000 0.959 108 R CB -0.321 30.018 30.300 0.064 0.000 0.856 108 R HN 0.306 nan 8.270 nan 0.000 0.437 109 M N 0.701 120.366 119.600 0.109 0.000 2.073 109 M HA -0.123 4.358 4.480 0.001 0.000 0.258 109 M C 0.943 177.345 176.300 0.169 0.000 1.070 109 M CA 1.880 57.247 55.300 0.112 0.000 1.103 109 M CB -0.293 32.434 32.600 0.212 0.000 1.321 109 M HN 0.287 nan 8.290 nan 0.000 0.405 113 S N 1.212 116.954 115.700 0.071 0.000 2.359 113 S HA -0.138 4.333 4.470 0.001 0.000 0.224 113 S C 2.164 176.718 174.600 -0.078 0.000 1.035 113 S CA 1.615 59.795 58.200 -0.033 0.000 1.018 113 S CB -0.160 63.022 63.200 -0.031 0.000 0.876 113 S HN 0.469 nan 8.310 nan 0.000 0.448 114 A N 0.188 122.949 122.820 -0.098 0.000 2.016 114 A HA 0.277 4.598 4.320 0.001 0.000 0.217 114 A C 2.152 179.692 177.584 -0.074 0.000 1.162 114 A CA 1.299 53.250 52.037 -0.144 0.000 0.662 114 A CB -1.088 17.758 19.000 -0.256 0.000 0.812 114 A HN 0.621 nan 8.150 nan 0.000 0.450 115 G N -0.486 108.265 108.800 -0.081 0.000 2.848 115 G HA2 0.034 3.995 3.960 0.001 0.000 0.208 115 G HA3 0.034 3.995 3.960 0.001 0.000 0.208 115 G C 1.317 176.032 174.900 -0.309 0.000 1.152 115 G CA 1.366 46.360 45.100 -0.177 0.000 0.789 115 G HN 0.621 nan 8.290 nan 0.000 0.531 116 T N -2.876 111.612 114.554 -0.110 0.000 3.148 116 T HA 0.096 4.446 4.350 0.001 0.000 0.253 116 T C 0.848 175.661 174.700 0.189 0.000 1.134 116 T CA -0.504 61.611 62.100 0.025 0.000 1.051 116 T CB -0.278 68.582 68.868 -0.013 0.000 0.959 116 T HN 0.165 nan 8.240 nan 0.000 0.525 117 Y N 3.130 123.440 120.300 0.016 0.000 2.497 117 Y HA 0.417 4.967 4.550 0.000 0.000 0.334 117 Y C 0.013 175.947 175.900 0.056 0.000 1.199 117 Y CA -0.896 57.220 58.100 0.026 0.000 1.425 117 Y CB 0.408 38.851 38.460 -0.028 0.000 1.291 117 Y HN 0.049 nan 8.280 nan 0.000 0.562 118 R N 3.223 123.318 120.500 -0.674 0.000 2.532 118 R HA 0.228 4.568 4.340 0.001 0.000 0.297 118 R C 0.741 176.514 176.300 -0.879 0.000 0.984 118 R CA -0.441 55.344 56.100 -0.524 0.000 0.884 118 R CB 1.535 31.694 30.300 -0.236 0.000 1.182 118 R HN 0.741 nan 8.270 nan 0.000 0.442 119 T N 1.058 115.271 114.554 -0.568 0.000 2.915 119 T HA -0.087 4.263 4.350 0.001 0.000 0.269 119 T C 1.739 176.318 174.700 -0.202 0.000 1.071 119 T CA 1.853 63.754 62.100 -0.333 0.000 1.132 119 T CB 0.027 68.871 68.868 -0.040 0.000 0.878 119 T HN 0.658 nan 8.240 nan 0.000 0.479 120 A N 1.862 124.575 122.820 -0.179 0.000 1.877 120 A HA -0.095 4.225 4.320 0.001 0.000 0.216 120 A C 1.902 179.404 177.584 -0.136 0.000 1.186 120 A CA 2.150 54.113 52.037 -0.124 0.000 0.620 120 A CB -0.383 18.553 19.000 -0.105 0.000 0.822 120 A HN 0.737 nan 8.150 nan 0.000 0.443 121 D N -3.969 116.328 120.400 -0.172 0.000 2.469 121 D HA 0.294 4.934 4.640 0.001 0.000 0.213 121 D C 1.137 177.341 176.300 -0.160 0.000 1.135 121 D CA 0.916 54.824 54.000 -0.153 0.000 0.834 121 D CB -0.494 40.219 40.800 -0.144 0.000 1.009 121 D HN 0.819 nan 8.370 nan 0.000 0.507 122 G N 0.799 109.461 108.800 -0.230 0.000 2.189 122 G HA2 -0.368 3.593 3.960 0.001 0.000 0.267 122 G HA3 -0.368 3.593 3.960 0.001 0.000 0.267 122 G C 0.417 175.258 174.900 -0.098 0.000 0.975 122 G CA 0.319 45.320 45.100 -0.165 0.000 0.644 122 G HN 0.461 nan 8.290 nan 0.000 0.537 123 R N 0.257 120.663 120.500 -0.157 0.000 2.637 123 R HA 0.521 4.861 4.340 0.001 0.000 0.269 123 R C 1.192 177.474 176.300 -0.030 0.000 1.089 123 R CA 0.566 56.605 56.100 -0.102 0.000 1.177 123 R CB 0.356 30.542 30.300 -0.190 0.000 1.091 123 R HN 1.445 nan 8.270 nan 0.000 0.540 124 G N -0.477 108.367 108.800 0.073 0.000 2.741 124 G HA2 0.160 4.120 3.960 0.001 0.000 0.222 124 G HA3 0.160 4.120 3.960 0.001 0.000 0.222 124 G C 0.064 175.091 174.900 0.210 0.000 1.364 124 G CA -0.397 44.839 45.100 0.226 0.000 0.866 124 G HN 1.158 nan 8.290 nan 0.000 0.555 125 G N -2.694 106.207 108.800 0.170 0.000 2.655 125 G HA2 0.451 4.411 3.960 0.001 0.000 0.680 125 G HA3 0.451 4.411 3.960 0.001 0.000 0.680 125 G C 0.949 175.821 174.900 -0.047 0.000 1.302 125 G CA 1.024 46.156 45.100 0.054 0.000 0.872 125 G HN 2.474 nan 8.290 nan 0.000 0.540 126 A N -0.456 122.284 122.820 -0.133 0.000 2.169 126 A HA 0.480 4.800 4.320 0.001 0.000 0.212 126 A C 2.592 180.084 177.584 -0.153 0.000 1.153 126 A CA 1.884 53.830 52.037 -0.152 0.000 0.756 126 A CB -0.484 18.386 19.000 -0.217 0.000 0.813 126 A HN 2.310 nan 8.150 nan 0.000 0.471 127 G N -0.304 108.403 108.800 -0.156 0.000 2.509 127 G HA2 -0.093 3.868 3.960 0.001 0.000 0.218 127 G HA3 -0.093 3.868 3.960 0.001 0.000 0.218 127 G C 1.077 175.899 174.900 -0.130 0.000 1.124 127 G CA 0.882 45.884 45.100 -0.163 0.000 0.776 127 G HN 0.655 nan 8.290 nan 0.000 0.547 128 E N -0.921 119.216 120.200 -0.104 0.000 2.562 128 E HA 0.294 4.645 4.350 0.001 0.000 0.214 128 E C 1.395 177.934 176.600 -0.101 0.000 0.979 128 E CA 0.073 56.410 56.400 -0.105 0.000 1.002 128 E CB 0.632 30.282 29.700 -0.083 0.000 1.048 128 E HN 0.264 nan 8.360 nan 0.000 0.488 129 G N 2.297 111.035 108.800 -0.103 0.000 2.221 129 G HA2 -0.314 3.647 3.960 0.001 0.000 0.265 129 G HA3 -0.314 3.647 3.960 0.001 0.000 0.265 129 G C 0.836 175.638 174.900 -0.165 0.000 1.041 129 G CA 0.207 45.232 45.100 -0.125 0.000 0.807 129 G HN 0.180 nan 8.290 nan 0.000 0.502 130 Q N -0.794 118.956 119.800 -0.083 0.000 2.488 130 Q HA 0.010 4.350 4.340 0.001 0.000 0.211 130 Q C 2.322 178.239 176.000 -0.138 0.000 0.967 130 Q CA 1.128 56.928 55.803 -0.005 0.000 0.926 130 Q CB 0.063 28.836 28.738 0.058 0.000 0.992 130 Q HN 0.889 nan 8.270 nan 0.000 0.506 131 Q N 1.069 120.737 119.800 -0.220 0.000 2.291 131 Q HA -0.143 4.197 4.340 0.001 0.000 0.205 131 Q C 1.764 177.570 176.000 -0.324 0.000 0.970 131 Q CA 0.863 56.511 55.803 -0.260 0.000 0.876 131 Q CB 0.141 28.761 28.738 -0.197 0.000 0.935 131 Q HN 0.340 nan 8.270 nan 0.000 0.455 132 R N -1.204 119.002 120.500 -0.489 0.000 2.323 132 R HA 0.065 4.405 4.340 0.001 0.000 0.198 132 R C -0.251 175.623 176.300 -0.710 0.000 0.988 132 R CA 0.075 55.752 56.100 -0.705 0.000 1.041 132 R CB 0.106 29.782 30.300 -1.039 0.000 0.926 132 R HN 0.024 nan 8.270 nan 0.000 0.476 133 F N 0.332 120.161 119.950 -0.201 0.000 2.594 133 F HA 0.609 5.136 4.527 0.000 0.000 0.335 133 F C 0.442 176.163 175.800 -0.132 0.000 1.058 133 F CA -1.640 56.276 58.000 -0.141 0.000 0.981 133 F CB 1.202 40.143 39.000 -0.097 0.000 1.289 133 F HN -0.090 nan 8.300 nan 0.000 0.490 134 A N 1.675 124.582 122.820 0.145 0.000 2.407 134 A HA 0.336 4.656 4.320 0.001 0.000 0.248 134 A C -1.780 175.854 177.584 0.084 0.000 1.082 134 A CA -1.038 51.041 52.037 0.071 0.000 0.785 134 A CB -0.192 18.858 19.000 0.084 0.000 1.020 134 A HN 0.554 nan 8.150 nan 0.000 0.489 135 P HA 0.018 nan 4.420 nan 0.000 0.235 135 P C 1.223 178.357 177.300 -0.276 0.000 1.177 135 P CA 0.492 63.630 63.100 0.064 0.000 0.785 135 P CB 0.097 31.984 31.700 0.311 0.000 0.885 136 L N 1.095 121.965 121.223 -0.588 0.000 2.127 136 L HA -0.181 4.159 4.340 0.001 0.000 0.211 136 L C 2.354 178.938 176.870 -0.477 0.000 1.089 136 L CA 1.840 56.081 54.840 -0.998 0.000 0.757 136 L CB -1.274 40.261 42.059 -0.874 0.000 0.899 136 L HN 0.135 nan 8.230 nan 0.000 0.434 137 N N -1.235 117.311 118.700 -0.256 0.000 2.443 137 N HA -0.150 4.590 4.740 0.001 0.000 0.184 137 N C 1.232 176.742 175.510 0.000 0.000 1.037 137 N CA 1.322 54.290 53.050 -0.136 0.000 0.896 137 N CB -0.297 38.095 38.487 -0.158 0.000 0.959 137 N HN 0.103 nan 8.380 nan 0.000 0.442 138 S N -1.528 114.156 115.700 -0.027 0.000 2.701 138 S HA 0.182 4.652 4.470 0.001 0.000 0.242 138 S C -0.653 173.966 174.600 0.031 0.000 1.025 138 S CA -0.807 57.383 58.200 -0.017 0.000 1.016 138 S CB 0.102 63.214 63.200 -0.147 0.000 0.977 138 S HN 0.243 nan 8.310 nan 0.000 0.546 139 W N 3.120 124.291 121.300 -0.215 0.000 2.193 139 W HA 0.234 4.894 4.660 0.001 0.000 0.338 139 W C -1.970 174.399 176.519 -0.251 0.000 1.310 139 W CA -2.030 55.051 57.345 -0.439 0.000 1.243 139 W CB -0.373 28.924 29.460 -0.273 0.000 1.165 139 W HN 0.098 nan 8.180 nan 0.000 0.566 140 P HA -0.231 nan 4.420 nan 0.000 0.216 140 P C 1.216 178.438 177.300 -0.131 0.000 1.153 140 P CA 2.005 65.035 63.100 -0.116 0.000 0.858 140 P CB 0.285 31.904 31.700 -0.134 0.000 0.789 141 E N -1.177 119.008 120.200 -0.024 0.000 2.418 141 E HA -0.063 4.287 4.350 0.001 0.000 0.197 141 E C 0.612 177.305 176.600 0.155 0.000 1.026 141 E CA 0.564 57.003 56.400 0.066 0.000 0.862 141 E CB -0.440 29.304 29.700 0.074 0.000 0.799 141 E HN 0.270 nan 8.360 nan 0.000 0.518 142 N N 0.450 119.186 118.700 0.060 0.000 2.276 142 N HA 0.084 4.825 4.740 0.001 0.000 0.212 142 N C -0.340 174.913 175.510 -0.429 0.000 1.127 142 N CA -0.004 53.038 53.050 -0.012 0.000 0.834 142 N CB 0.514 39.048 38.487 0.079 0.000 1.014 142 N HN 0.007 nan 8.380 nan 0.000 0.491 143 A N 0.976 123.268 122.820 -0.880 0.000 2.546 143 A HA 0.148 4.468 4.320 0.001 0.000 0.243 143 A C 0.905 177.907 177.584 -0.971 0.000 1.063 143 A CA 0.026 50.928 52.037 -1.892 0.000 0.757 143 A CB -0.011 18.058 19.000 -1.552 0.000 0.991 143 A HN 0.439 nan 8.150 nan 0.000 0.503 144 N N 0.035 118.266 118.700 -0.782 0.000 2.936 144 N HA -0.177 4.563 4.740 0.001 0.000 0.236 144 N C 0.672 175.971 175.510 -0.351 0.000 0.930 144 N CA 1.572 54.352 53.050 -0.451 0.000 0.966 144 N CB -1.347 36.877 38.487 -0.439 0.000 1.090 144 N HN 0.665 nan 8.380 nan 0.000 0.592 145 L N 1.116 122.187 121.223 -0.252 0.000 2.395 145 L HA -0.076 4.264 4.340 0.001 0.000 0.218 145 L C 2.121 178.938 176.870 -0.088 0.000 1.130 145 L CA 1.186 55.938 54.840 -0.148 0.000 0.826 145 L CB -0.337 41.648 42.059 -0.124 0.000 0.941 145 L HN 0.223 nan 8.230 nan 0.000 0.451 146 D N 0.398 120.777 120.400 -0.035 0.000 2.123 146 D HA -0.236 4.404 4.640 0.001 0.000 0.196 146 D C 1.663 177.914 176.300 -0.083 0.000 0.992 146 D CA 1.226 55.200 54.000 -0.043 0.000 0.833 146 D CB -0.214 40.602 40.800 0.028 0.000 0.954 146 D HN 0.170 nan 8.370 nan 0.000 0.455 147 K N 1.280 121.571 120.400 -0.182 0.000 2.026 147 K HA 0.018 4.338 4.320 0.001 0.000 0.208 147 K C 2.415 179.002 176.600 -0.022 0.000 1.048 147 K CA 1.327 57.517 56.287 -0.162 0.000 0.929 147 K CB -0.951 31.069 32.500 -0.801 0.000 0.713 147 K HN 0.303 nan 8.250 nan 0.000 0.439 148 A N 2.002 124.764 122.820 -0.097 0.000 1.865 148 A HA -0.191 4.129 4.320 0.001 0.000 0.217 148 A C 2.302 180.051 177.584 0.274 0.000 1.191 148 A CA 1.630 53.687 52.037 0.034 0.000 0.623 148 A CB -0.496 18.523 19.000 0.031 0.000 0.826 148 A HN 0.279 nan 8.150 nan 0.000 0.444 149 R N -1.281 119.313 120.500 0.157 0.000 2.091 149 R HA -0.161 4.180 4.340 0.001 0.000 0.238 149 R C 2.426 178.892 176.300 0.276 0.000 1.136 149 R CA 1.646 57.844 56.100 0.162 0.000 0.959 149 R CB -0.284 29.944 30.300 -0.121 0.000 0.856 149 R HN 0.432 nan 8.270 nan 0.000 0.437 150 R N 1.326 121.954 120.500 0.213 0.000 2.115 150 R HA -0.021 4.319 4.340 0.001 0.000 0.230 150 R C 1.989 178.569 176.300 0.467 0.000 1.111 150 R CA 1.144 57.410 56.100 0.277 0.000 0.976 150 R CB -0.571 29.791 30.300 0.103 0.000 0.870 150 R HN 0.198 nan 8.270 nan 0.000 0.445 151 L N -0.092 121.417 121.223 0.478 0.000 2.187 151 L HA -0.135 4.205 4.340 0.001 0.000 0.213 151 L C 1.716 178.794 176.870 0.348 0.000 1.100 151 L CA 1.010 56.089 54.840 0.399 0.000 0.765 151 L CB -0.216 41.940 42.059 0.163 0.000 0.904 151 L HN 0.222 nan 8.230 nan 0.000 0.437 152 L N -1.799 119.655 121.223 0.384 0.000 2.558 152 L HA -0.105 4.236 4.340 0.001 0.000 0.225 152 L C 2.112 179.139 176.870 0.262 0.000 1.128 152 L CA 0.057 55.056 54.840 0.265 0.000 0.868 152 L CB -0.336 41.887 42.059 0.273 0.000 1.006 152 L HN 0.493 nan 8.230 nan 0.000 0.454 153 W N 2.935 124.388 121.300 0.254 0.000 2.358 153 W HA -0.124 4.536 4.660 0.000 0.000 0.303 153 W C -0.952 175.614 176.519 0.079 0.000 1.208 153 W CA 1.013 58.480 57.345 0.204 0.000 1.274 153 W CB -1.054 28.562 29.460 0.260 0.000 1.138 153 W HN 0.095 nan 8.180 nan 0.000 0.515 154 P HA -0.229 nan 4.420 nan 0.000 0.216 154 P C 1.683 178.787 177.300 -0.326 0.000 1.153 154 P CA 2.224 65.106 63.100 -0.364 0.000 0.858 154 P CB -0.309 31.334 31.700 -0.096 0.000 0.789 155 I N -1.085 119.385 120.570 -0.167 0.000 2.233 155 I HA -0.212 3.958 4.170 0.001 0.000 0.243 155 I C 2.415 178.471 176.117 -0.102 0.000 1.093 155 I CA 1.250 62.512 61.300 -0.062 0.000 1.380 155 I CB -0.319 37.682 38.000 0.002 0.000 1.067 155 I HN -0.160 nan 8.210 nan 0.000 0.413 156 K N 1.123 121.362 120.400 -0.269 0.000 2.044 156 K HA -0.290 4.030 4.320 0.001 0.000 0.210 156 K C 2.147 178.528 176.600 -0.366 0.000 1.049 156 K CA 1.811 57.877 56.287 -0.369 0.000 0.927 156 K CB -0.319 31.773 32.500 -0.680 0.000 0.713 156 K HN 0.282 nan 8.250 nan 0.000 0.443 157 Q N 0.299 119.644 119.800 -0.758 0.000 2.124 157 Q HA -0.229 4.111 4.340 0.001 0.000 0.202 157 Q C 2.012 177.755 176.000 -0.427 0.000 0.977 157 Q CA 1.954 57.259 55.803 -0.829 0.000 0.850 157 Q CB -0.138 27.760 28.738 -1.400 0.000 0.901 157 Q HN 0.359 nan 8.270 nan 0.000 0.429 158 K N -0.846 119.308 120.400 -0.409 0.000 2.057 158 K HA -0.174 4.147 4.320 0.001 0.000 0.206 158 K C 1.260 177.555 176.600 -0.509 0.000 1.050 158 K CA 1.482 57.494 56.287 -0.458 0.000 0.935 158 K CB -0.056 32.099 32.500 -0.575 0.000 0.715 158 K HN 0.307 nan 8.250 nan 0.000 0.439 159 Y N -0.199 120.017 120.300 -0.141 0.000 2.509 159 Y HA 0.194 4.744 4.550 0.001 0.000 0.270 159 Y C 1.461 177.339 175.900 -0.037 0.000 1.103 159 Y CA 0.290 58.343 58.100 -0.079 0.000 1.278 159 Y CB 0.555 38.970 38.460 -0.074 0.000 1.087 159 Y HN 0.362 nan 8.280 nan 0.000 0.542 160 G N 1.616 110.446 108.800 0.050 0.000 2.547 160 G HA2 -0.414 3.546 3.960 0.001 0.000 0.271 160 G HA3 -0.414 3.546 3.960 0.001 0.000 0.271 160 G C 1.114 176.102 174.900 0.147 0.000 1.209 160 G CA 0.497 45.639 45.100 0.070 0.000 0.959 160 G HN 0.467 nan 8.290 nan 0.000 0.563 161 R N 0.721 121.322 120.500 0.168 0.000 2.285 161 R HA 0.326 4.666 4.340 0.001 0.000 0.213 161 R C 2.493 179.078 176.300 0.476 0.000 1.068 161 R CA 1.988 58.250 56.100 0.271 0.000 1.004 161 R CB -0.390 29.980 30.300 0.117 0.000 0.873 161 R HN 1.146 nan 8.270 nan 0.000 0.467 162 A N 1.262 124.294 122.820 0.354 0.000 2.119 162 A HA 0.152 4.472 4.320 0.001 0.000 0.217 162 A C 1.107 178.946 177.584 0.424 0.000 1.153 162 A CA 0.430 52.664 52.037 0.328 0.000 0.692 162 A CB 0.049 19.156 19.000 0.179 0.000 0.799 162 A HN 0.425 nan 8.150 nan 0.000 0.458 163 I N 0.635 121.456 120.570 0.418 0.000 2.534 163 I HA 0.276 4.446 4.170 0.001 0.000 0.288 163 I C 0.005 176.284 176.117 0.270 0.000 1.077 163 I CA -0.694 60.872 61.300 0.443 0.000 1.051 163 I CB 2.035 40.165 38.000 0.218 0.000 1.234 163 I HN 0.201 nan 8.210 nan 0.000 0.425 164 S N 4.434 120.268 115.700 0.223 0.000 2.603 164 S HA 0.178 4.649 4.470 0.001 0.000 0.268 164 S C 0.680 175.276 174.600 -0.006 0.000 1.317 164 S CA -0.318 57.841 58.200 -0.068 0.000 1.012 164 S CB 0.816 63.743 63.200 -0.454 0.000 0.926 164 S HN 0.792 nan 8.310 nan 0.000 0.539 165 W N 1.328 122.595 121.300 -0.054 0.000 2.338 165 W HA -0.109 4.552 4.660 0.000 0.000 0.304 165 W C 2.807 179.273 176.519 -0.088 0.000 1.212 165 W CA 1.410 58.717 57.345 -0.063 0.000 1.264 165 W CB -0.719 28.664 29.460 -0.128 0.000 1.142 165 W HN 0.941 nan 8.180 nan 0.000 0.512 166 A N 0.354 123.228 122.820 0.091 0.000 1.873 166 A HA -0.286 4.034 4.320 0.001 0.000 0.218 166 A C 1.691 179.283 177.584 0.014 0.000 1.193 166 A CA 2.420 54.452 52.037 -0.009 0.000 0.629 166 A CB -1.001 17.937 19.000 -0.104 0.000 0.826 166 A HN 0.210 nan 8.150 nan 0.000 0.447 167 D N -0.813 119.613 120.400 0.042 0.000 2.144 167 D HA -0.081 4.559 4.640 0.001 0.000 0.200 167 D C 1.839 178.259 176.300 0.200 0.000 0.978 167 D CA 1.077 55.170 54.000 0.156 0.000 0.833 167 D CB -0.377 40.564 40.800 0.234 0.000 0.961 167 D HN 0.322 nan 8.370 nan 0.000 0.470 168 L N 0.809 122.104 121.223 0.120 0.000 2.046 168 L HA -0.093 4.247 4.340 0.001 0.000 0.208 168 L C 2.136 179.038 176.870 0.054 0.000 1.077 168 L CA 1.297 56.162 54.840 0.042 0.000 0.747 168 L CB -0.536 41.494 42.059 -0.048 0.000 0.896 168 L HN 0.008 nan 8.230 nan 0.000 0.432 169 L N -1.222 120.074 121.223 0.122 0.000 2.042 169 L HA -0.239 4.101 4.340 0.001 0.000 0.210 169 L C 2.445 179.373 176.870 0.097 0.000 1.076 169 L CA 0.884 55.792 54.840 0.113 0.000 0.749 169 L CB -0.735 41.392 42.059 0.112 0.000 0.893 169 L HN 0.257 nan 8.230 nan 0.000 0.432 170 I N -0.394 120.241 120.570 0.107 0.000 2.286 170 I HA -0.226 3.945 4.170 0.001 0.000 0.245 170 I C 2.474 178.705 176.117 0.189 0.000 1.104 170 I CA 1.236 62.631 61.300 0.159 0.000 1.397 170 I CB -1.038 37.039 38.000 0.128 0.000 1.072 170 I HN 0.221 nan 8.210 nan 0.000 0.417 171 L N 0.781 122.024 121.223 0.034 0.000 2.083 171 L HA -0.184 4.156 4.340 0.001 0.000 0.209 171 L C 2.439 179.203 176.870 -0.175 0.000 1.083 171 L CA 1.971 56.597 54.840 -0.357 0.000 0.752 171 L CB -0.926 40.784 42.059 -0.582 0.000 0.899 171 L HN 0.184 nan 8.230 nan 0.000 0.433 172 T N -0.712 113.770 114.554 -0.120 0.000 2.746 172 T HA -0.116 4.234 4.350 0.001 0.000 0.267 172 T C 1.729 176.411 174.700 -0.029 0.000 1.039 172 T CA 1.235 63.228 62.100 -0.179 0.000 1.142 172 T CB -0.948 67.709 68.868 -0.352 0.000 0.866 172 T HN 0.583 nan 8.240 nan 0.000 0.444 173 G N 1.755 110.636 108.800 0.135 0.000 2.440 173 G HA2 -0.272 3.689 3.960 0.001 0.000 0.218 173 G HA3 -0.272 3.689 3.960 0.001 0.000 0.218 173 G C 1.645 176.640 174.900 0.158 0.000 1.154 173 G CA 0.900 46.162 45.100 0.269 0.000 0.767 173 G HN 0.400 nan 8.290 nan 0.000 0.552 174 N N 0.178 119.006 118.700 0.214 0.000 2.084 174 N HA -0.086 4.654 4.740 0.001 0.000 0.190 174 N C 2.283 177.802 175.510 0.015 0.000 1.030 174 N CA 1.136 54.270 53.050 0.140 0.000 0.849 174 N CB -0.503 38.080 38.487 0.161 0.000 1.012 174 N HN 0.190 nan 8.380 nan 0.000 0.423 175 V N 1.043 120.948 119.914 -0.015 0.000 2.427 175 V HA -0.156 3.964 4.120 0.001 0.000 0.248 175 V C 2.283 178.413 176.094 0.061 0.000 1.051 175 V CA 1.605 63.906 62.300 0.001 0.000 1.048 175 V CB -1.065 30.741 31.823 -0.028 0.000 0.666 175 V HN 0.309 nan 8.190 nan 0.000 0.456 176 A N 0.221 123.075 122.820 0.056 0.000 1.873 176 A HA -0.228 4.092 4.320 0.001 0.000 0.218 176 A C 2.239 179.782 177.584 -0.068 0.000 1.193 176 A CA 2.175 54.266 52.037 0.090 0.000 0.629 176 A CB -0.661 18.405 19.000 0.110 0.000 0.826 176 A HN 0.488 nan 8.150 nan 0.000 0.447 177 L N -0.829 120.272 121.223 -0.202 0.000 2.012 177 L HA -0.259 4.081 4.340 0.001 0.000 0.210 177 L C 2.693 179.560 176.870 -0.004 0.000 1.073 177 L CA 2.007 56.693 54.840 -0.257 0.000 0.748 177 L CB -0.683 41.183 42.059 -0.322 0.000 0.891 177 L HN 0.495 nan 8.230 nan 0.000 0.431 178 E N -0.236 119.978 120.200 0.024 0.000 2.085 178 E HA -0.227 4.123 4.350 0.001 0.000 0.194 178 E C 2.261 178.923 176.600 0.103 0.000 0.994 178 E CA 1.639 58.065 56.400 0.044 0.000 0.801 178 E CB -0.161 29.539 29.700 -0.000 0.000 0.743 178 E HN 0.545 nan 8.360 nan 0.000 0.453 179 S N 0.361 116.171 115.700 0.182 0.000 2.447 179 S HA -0.086 4.384 4.470 0.001 0.000 0.233 179 S C 1.734 176.504 174.600 0.283 0.000 1.006 179 S CA 0.828 59.232 58.200 0.340 0.000 0.957 179 S CB -0.079 63.388 63.200 0.445 0.000 0.773 179 S HN 0.157 nan 8.310 nan 0.000 0.507 180 M N 0.821 120.532 119.600 0.185 0.000 2.475 180 M HA 0.346 4.826 4.480 0.001 0.000 0.261 180 M C 1.201 177.689 176.300 0.314 0.000 1.177 180 M CA 0.378 55.794 55.300 0.193 0.000 0.979 180 M CB 0.696 33.357 32.600 0.102 0.000 1.482 180 M HN 0.564 nan 8.290 nan 0.000 0.484 181 G N 1.357 110.307 108.800 0.250 0.000 2.144 181 G HA2 -0.269 3.691 3.960 0.001 0.000 0.218 181 G HA3 -0.269 3.691 3.960 0.001 0.000 0.218 181 G C -0.379 174.646 174.900 0.210 0.000 0.988 181 G CA -0.557 44.688 45.100 0.241 0.000 0.659 181 G HN 0.463 nan 8.290 nan 0.000 0.522 182 F N 2.028 121.962 119.950 -0.025 0.000 2.388 182 F HA 0.629 5.156 4.527 0.000 0.000 0.358 182 F C 0.518 176.175 175.800 -0.238 0.000 1.122 182 F CA -1.195 56.636 58.000 -0.283 0.000 1.056 182 F CB 1.042 39.804 39.000 -0.397 0.000 1.155 182 F HN -0.040 nan 8.300 nan 0.000 0.461 183 K N 5.353 125.308 120.400 -0.741 0.000 2.349 183 K HA 0.150 4.470 4.320 0.001 0.000 0.289 183 K C 0.136 176.336 176.600 -0.667 0.000 1.064 183 K CA -0.149 55.811 56.287 -0.545 0.000 0.947 183 K CB 0.451 32.698 32.500 -0.422 0.000 1.007 183 K HN 0.810 nan 8.250 nan 0.000 0.478 184 T N 0.931 115.341 114.554 -0.240 0.000 2.828 184 T HA 0.084 4.434 4.350 0.001 0.000 0.290 184 T C 0.967 175.672 174.700 0.009 0.000 1.019 184 T CA -0.548 61.544 62.100 -0.014 0.000 1.031 184 T CB 0.518 69.481 68.868 0.159 0.000 1.001 184 T HN 0.496 nan 8.240 nan 0.000 0.531 185 F N 1.255 121.182 119.950 -0.039 0.000 2.502 185 F HA 0.351 4.878 4.527 0.000 0.000 0.298 185 F C 1.342 177.018 175.800 -0.206 0.000 1.111 185 F CA 1.165 59.087 58.000 -0.128 0.000 1.445 185 F CB -0.489 38.444 39.000 -0.111 0.000 1.081 185 F HN 1.233 nan 8.300 nan 0.000 0.558 186 G N -0.837 107.961 108.800 -0.003 0.000 2.357 186 G HA2 0.261 4.221 3.960 0.001 0.000 0.289 186 G HA3 0.261 4.221 3.960 0.001 0.000 0.289 186 G C -1.983 173.117 174.900 0.332 0.000 1.302 186 G CA -0.510 44.570 45.100 -0.032 0.000 0.936 186 G HN 0.273 nan 8.290 nan 0.000 0.513 187 F N 0.083 120.129 119.950 0.161 0.000 2.639 187 F HA 0.724 5.251 4.527 0.000 0.000 0.320 187 F C -0.606 175.334 175.800 0.234 0.000 1.128 187 F CA 0.116 58.294 58.000 0.297 0.000 1.037 187 F CB 1.385 40.524 39.000 0.231 0.000 1.288 187 F HN 1.466 nan 8.300 nan 0.000 0.463 188 A N 3.684 126.202 122.820 -0.504 0.000 2.331 188 A HA 0.816 5.136 4.320 0.001 0.000 0.320 188 A C -0.147 176.768 177.584 -1.116 0.000 1.138 188 A CA -0.146 51.543 52.037 -0.580 0.000 0.790 188 A CB 0.934 19.559 19.000 -0.624 0.000 1.206 188 A HN 1.281 nan 8.150 nan 0.000 0.470 189 G N -0.398 107.956 108.800 -0.744 0.000 2.535 189 G HA2 0.565 4.526 3.960 0.001 0.000 0.303 189 G HA3 0.565 4.526 3.960 0.001 0.000 0.303 189 G C 0.834 175.298 174.900 -0.727 0.000 1.237 189 G CA -0.127 44.374 45.100 -0.999 0.000 0.986 189 G HN 2.143 nan 8.290 nan 0.000 0.494 190 G N -1.354 107.097 108.800 -0.581 0.000 2.227 190 G HA2 -0.187 3.773 3.960 0.001 0.000 0.168 190 G HA3 -0.187 3.773 3.960 0.001 0.000 0.168 190 G C 0.447 175.356 174.900 0.015 0.000 1.006 190 G CA -0.345 44.644 45.100 -0.186 0.000 0.684 190 G HN 0.723 nan 8.290 nan 0.000 0.489 191 R N 1.348 121.815 120.500 -0.056 0.000 2.351 191 R HA 0.571 4.912 4.340 0.001 0.000 0.321 191 R C 0.882 177.073 176.300 -0.183 0.000 1.182 191 R CA 0.462 56.495 56.100 -0.111 0.000 1.011 191 R CB 0.756 30.953 30.300 -0.171 0.000 1.048 191 R HN 0.472 nan 8.270 nan 0.000 0.490 192 A N 3.112 125.849 122.820 -0.138 0.000 2.462 192 A HA 0.030 4.350 4.320 0.001 0.000 0.243 192 A C -0.015 177.411 177.584 -0.264 0.000 1.076 192 A CA -0.352 51.519 52.037 -0.277 0.000 0.773 192 A CB 0.275 19.284 19.000 0.014 0.000 1.010 192 A HN 0.546 nan 8.150 nan 0.000 0.493 193 D N 0.863 121.077 120.400 -0.310 0.000 2.362 193 D HA 0.393 5.033 4.640 0.001 0.000 0.242 193 D C 0.810 176.810 176.300 -0.500 0.000 1.132 193 D CA 0.839 54.608 54.000 -0.386 0.000 0.907 193 D CB 1.051 41.562 40.800 -0.481 0.000 1.195 193 D HN 0.692 nan 8.370 nan 0.000 0.429 194 T N -1.736 112.475 114.554 -0.571 0.000 2.949 194 T HA 0.513 4.863 4.350 0.001 0.000 0.287 194 T C 0.229 174.481 174.700 -0.745 0.000 1.034 194 T CA -0.791 60.993 62.100 -0.526 0.000 1.018 194 T CB 1.195 69.923 68.868 -0.233 0.000 1.135 194 T HN 0.531 nan 8.240 nan 0.000 0.532 195 W N 0.008 121.388 121.300 0.133 0.000 2.534 195 W HA 0.314 4.975 4.660 0.001 0.000 0.339 195 W C 0.443 176.745 176.519 -0.362 0.000 0.961 195 W CA -0.698 56.666 57.345 0.033 0.000 1.545 195 W CB 0.634 30.146 29.460 0.088 0.000 1.104 195 W HN 0.887 nan 8.180 nan 0.000 0.538 196 E N -0.346 119.632 120.200 -0.370 0.000 2.413 196 E HA 0.422 4.772 4.350 0.001 0.000 0.277 196 E C -2.871 173.419 176.600 -0.517 0.000 0.958 196 E CA -2.741 53.325 56.400 -0.555 0.000 0.779 196 E CB 1.685 31.234 29.700 -0.251 0.000 1.278 196 E HN -0.382 nan 8.360 nan 0.000 0.456 197 P HA -0.063 nan 4.420 nan 0.000 0.262 197 P C -0.603 176.712 177.300 0.025 0.000 1.182 197 P CA 0.293 63.330 63.100 -0.106 0.000 0.761 197 P CB 0.447 32.130 31.700 -0.029 0.000 0.795 198 E N 2.710 122.985 120.200 0.124 0.000 2.392 198 E HA 0.004 4.354 4.350 0.001 0.000 0.264 198 E C -0.484 176.173 176.600 0.095 0.000 1.024 198 E CA -0.294 56.198 56.400 0.153 0.000 0.903 198 E CB 0.347 30.127 29.700 0.134 0.000 0.963 198 E HN 0.380 nan 8.360 nan 0.000 0.432 199 D N 3.786 124.215 120.400 0.048 0.000 2.339 199 D HA 0.191 4.831 4.640 0.001 0.000 0.241 199 D C -0.896 175.351 176.300 -0.088 0.000 1.183 199 D CA -0.034 53.964 54.000 -0.003 0.000 0.859 199 D CB 1.245 42.038 40.800 -0.012 0.000 1.067 199 D HN 0.062 nan 8.370 nan 0.000 0.484 200 V N 3.214 123.010 119.914 -0.197 0.000 2.686 200 V HA 0.083 4.203 4.120 0.001 0.000 0.306 200 V C -0.616 175.113 176.094 -0.609 0.000 1.065 200 V CA -1.085 60.885 62.300 -0.550 0.000 0.894 200 V CB 1.974 33.148 31.823 -1.082 0.000 1.004 200 V HN 0.389 nan 8.190 nan 0.000 0.424 201 Y N 3.229 123.212 120.300 -0.529 0.000 2.624 201 Y HA 0.225 4.776 4.550 0.000 0.000 0.354 201 Y C 0.320 176.003 175.900 -0.361 0.000 1.051 201 Y CA -0.598 57.301 58.100 -0.336 0.000 1.377 201 Y CB 0.514 38.850 38.460 -0.207 0.000 1.168 201 Y HN 0.777 nan 8.280 nan 0.000 0.525 202 W N 4.194 125.236 121.300 -0.430 0.000 3.211 202 W HA 0.439 5.099 4.660 0.000 0.000 0.292 202 W C 0.945 177.095 176.519 -0.614 0.000 1.268 202 W CA 0.561 57.708 57.345 -0.329 0.000 1.702 202 W CB 0.365 29.841 29.460 0.028 0.000 1.092 202 W HN 0.949 nan 8.180 nan 0.000 0.643 203 G N -0.585 107.556 108.800 -1.099 0.000 2.355 203 G HA2 -0.067 3.893 3.960 0.001 0.000 0.619 203 G HA3 -0.067 3.893 3.960 0.001 0.000 0.619 203 G C -0.016 174.680 174.900 -0.340 0.000 1.337 203 G CA -0.345 44.317 45.100 -0.729 0.000 0.993 203 G HN -0.218 nan 8.290 nan 0.000 0.599 204 S N -0.209 115.463 115.700 -0.046 0.000 2.539 204 S HA 0.246 4.717 4.470 0.001 0.000 0.221 204 S C 0.587 175.172 174.600 -0.025 0.000 0.987 204 S CA 0.254 58.487 58.200 0.054 0.000 0.929 204 S CB 0.288 63.574 63.200 0.142 0.000 0.832 204 S HN 0.578 nan 8.310 nan 0.000 0.492 205 E N 1.791 121.945 120.200 -0.076 0.000 2.398 205 E HA 0.158 4.509 4.350 0.001 0.000 0.263 205 E C 0.701 177.203 176.600 -0.164 0.000 1.046 205 E CA 0.092 56.433 56.400 -0.099 0.000 0.908 205 E CB 0.467 30.107 29.700 -0.101 0.000 0.963 205 E HN -0.103 nan 8.360 nan 0.000 0.431 206 K N 1.579 121.890 120.400 -0.148 0.000 2.358 206 K HA 0.288 4.609 4.320 0.001 0.000 0.200 206 K C -0.050 176.415 176.600 -0.224 0.000 1.030 206 K CA 0.136 56.313 56.287 -0.182 0.000 1.097 206 K CB 0.487 32.922 32.500 -0.109 0.000 0.862 206 K HN 0.452 nan 8.250 nan 0.000 0.534 207 I N 0.531 120.982 120.570 -0.198 0.000 2.436 207 I HA 0.251 4.421 4.170 0.001 0.000 0.289 207 I C -0.479 175.555 176.117 -0.138 0.000 1.010 207 I CA -1.080 60.134 61.300 -0.143 0.000 1.098 207 I CB 1.215 39.190 38.000 -0.042 0.000 1.266 207 I HN -0.067 nan 8.210 nan 0.000 0.434 208 W N 6.753 128.035 121.300 -0.030 0.000 2.257 208 W HA 0.133 4.793 4.660 0.000 0.000 0.337 208 W C 1.042 177.526 176.519 -0.058 0.000 1.321 208 W CA -0.138 57.172 57.345 -0.058 0.000 1.267 208 W CB 0.191 29.636 29.460 -0.025 0.000 1.187 208 W HN 0.477 nan 8.180 nan 0.000 0.565 209 L N 0.830 122.168 121.223 0.192 0.000 4.367 209 L HA -0.313 4.027 4.340 0.001 0.000 0.424 209 L C 0.808 177.712 176.870 0.057 0.000 1.152 209 L CA 0.364 55.255 54.840 0.085 0.000 0.974 209 L CB -1.783 40.327 42.059 0.084 0.000 2.012 209 L HN 0.565 nan 8.230 nan 0.000 0.922 210 E N 1.398 121.621 120.200 0.038 0.000 2.608 210 E HA 0.105 4.455 4.350 0.001 0.000 0.259 210 E C 0.381 177.005 176.600 0.040 0.000 0.951 210 E CA -0.131 56.285 56.400 0.028 0.000 0.945 210 E CB 0.502 30.204 29.700 0.003 0.000 0.916 210 E HN 0.234 nan 8.360 nan 0.000 0.477 211 L N 3.612 124.860 121.223 0.041 0.000 2.461 211 L HA 0.035 4.375 4.340 0.001 0.000 0.272 211 L C 0.959 177.862 176.870 0.056 0.000 1.197 211 L CA -0.304 54.563 54.840 0.045 0.000 0.836 211 L CB 0.587 42.666 42.059 0.034 0.000 1.105 211 L HN 0.651 nan 8.230 nan 0.000 0.477 212 S N 0.534 116.275 115.700 0.069 0.000 2.580 212 S HA 0.361 4.831 4.470 0.001 0.000 0.266 212 S C 1.028 175.670 174.600 0.069 0.000 1.354 212 S CA -0.040 58.226 58.200 0.110 0.000 1.008 212 S CB 1.228 64.499 63.200 0.117 0.000 0.898 212 S HN 1.112 nan 8.310 nan 0.000 0.555 213 G N 0.165 109.018 108.800 0.088 0.000 2.141 213 G HA2 -0.045 3.915 3.960 0.001 0.000 0.242 213 G HA3 -0.045 3.915 3.960 0.001 0.000 0.242 213 G C 0.488 175.415 174.900 0.046 0.000 0.982 213 G CA 0.072 45.208 45.100 0.060 0.000 0.662 213 G HN 1.324 nan 8.290 nan 0.000 0.527 214 G N 0.052 108.880 108.800 0.047 0.000 2.563 214 G HA2 0.644 4.604 3.960 0.001 0.000 0.283 214 G HA3 0.644 4.604 3.960 0.001 0.000 0.283 214 G C -0.105 174.812 174.900 0.029 0.000 1.309 214 G CA -0.025 45.094 45.100 0.031 0.000 1.022 214 G HN 0.134 nan 8.290 nan 0.000 0.501 215 P HA -0.053 nan 4.420 nan 0.000 0.220 215 P C 0.539 177.852 177.300 0.021 0.000 1.148 215 P CA 0.852 63.963 63.100 0.018 0.000 0.803 215 P CB 0.316 32.022 31.700 0.010 0.000 0.782 216 N N -0.220 118.491 118.700 0.019 0.000 2.380 216 N HA 0.037 4.778 4.740 0.001 0.000 0.255 216 N C 0.014 175.544 175.510 0.034 0.000 1.158 216 N CA -0.013 53.052 53.050 0.025 0.000 0.878 216 N CB 0.174 38.667 38.487 0.011 0.000 1.138 216 N HN 0.002 nan 8.380 nan 0.000 0.509 217 S N 1.435 117.163 115.700 0.047 0.000 2.626 217 S HA -0.093 4.378 4.470 0.001 0.000 0.303 217 S C 1.556 176.191 174.600 0.058 0.000 1.256 217 S CA -0.158 58.086 58.200 0.073 0.000 1.069 217 S CB 0.402 63.659 63.200 0.095 0.000 0.807 217 S HN 0.454 nan 8.310 nan 0.000 0.500 218 R N 3.692 124.211 120.500 0.031 0.000 2.313 218 R HA 0.108 4.448 4.340 0.001 0.000 0.199 218 R C -0.444 175.715 176.300 -0.235 0.000 0.958 218 R CA 0.328 56.374 56.100 -0.090 0.000 1.047 218 R CB -0.136 30.064 30.300 -0.166 0.000 0.955 218 R HN 0.582 nan 8.270 nan 0.000 0.481 219 Y N 0.748 121.071 120.300 0.038 0.000 2.487 219 Y HA 0.421 4.971 4.550 0.001 0.000 0.337 219 Y C 0.328 176.248 175.900 0.034 0.000 1.076 219 Y CA -0.374 57.748 58.100 0.037 0.000 1.115 219 Y CB 2.186 40.667 38.460 0.034 0.000 1.235 219 Y HN 0.159 nan 8.280 nan 0.000 0.468 220 S N 0.301 116.122 115.700 0.202 0.000 2.588 220 S HA 0.760 5.231 4.470 0.001 0.000 0.269 220 S C -0.025 174.643 174.600 0.113 0.000 1.157 220 S CA -0.330 57.944 58.200 0.124 0.000 0.824 220 S CB 1.245 64.492 63.200 0.078 0.000 1.126 220 S HN 1.542 nan 8.310 nan 0.000 0.464 221 G N 1.861 110.708 108.800 0.079 0.000 2.634 221 G HA2 -0.284 3.676 3.960 0.001 0.000 0.309 221 G HA3 -0.284 3.676 3.960 0.001 0.000 0.309 221 G C -0.196 174.743 174.900 0.067 0.000 1.265 221 G CA 0.825 45.964 45.100 0.064 0.000 0.998 221 G HN 1.287 nan 8.290 nan 0.000 0.551 222 D N 1.003 121.441 120.400 0.064 0.000 2.563 222 D HA 0.443 5.083 4.640 0.001 0.000 0.222 222 D C 1.114 177.460 176.300 0.076 0.000 1.145 222 D CA 0.229 54.261 54.000 0.054 0.000 1.001 222 D CB -0.513 40.312 40.800 0.042 0.000 1.049 222 D HN 0.720 nan 8.370 nan 0.000 0.515 223 R N 1.844 122.394 120.500 0.083 0.000 3.225 223 R HA -0.203 4.138 4.340 0.001 0.000 0.245 223 R C -0.728 175.766 176.300 0.322 0.000 0.928 223 R CA 0.453 56.630 56.100 0.127 0.000 0.632 223 R CB -0.784 29.480 30.300 -0.060 0.000 1.038 223 R HN 0.431 nan 8.270 nan 0.000 0.461 224 Q N 1.387 121.363 119.800 0.294 0.000 2.322 224 Q HA 0.148 4.488 4.340 0.001 0.000 0.256 224 Q C -0.153 175.924 176.000 0.129 0.000 0.960 224 Q CA -0.573 55.348 55.803 0.198 0.000 0.934 224 Q CB 1.396 30.199 28.738 0.109 0.000 1.200 224 Q HN 0.285 nan 8.270 nan 0.000 0.435 225 L N 3.323 124.541 121.223 -0.007 0.000 2.331 225 L HA 0.122 4.463 4.340 0.001 0.000 0.278 225 L C 0.392 177.158 176.870 -0.174 0.000 1.106 225 L CA 0.002 54.615 54.840 -0.378 0.000 0.824 225 L CB 0.629 42.483 42.059 -0.341 0.000 1.142 225 L HN 0.537 nan 8.230 nan 0.000 0.443 226 E N 3.914 124.008 120.200 -0.177 0.000 2.376 226 E HA 0.075 4.425 4.350 0.001 0.000 0.266 226 E C -0.711 175.866 176.600 -0.039 0.000 1.009 226 E CA -0.504 55.857 56.400 -0.064 0.000 0.902 226 E CB 0.245 29.931 29.700 -0.022 0.000 0.972 226 E HN 0.561 nan 8.360 nan 0.000 0.439 227 N N 4.278 122.958 118.700 -0.034 0.000 2.492 227 N HA 0.038 4.778 4.740 0.001 0.000 0.260 227 N C -1.628 173.867 175.510 -0.025 0.000 1.215 227 N CA -1.061 51.966 53.050 -0.039 0.000 0.923 227 N CB 0.801 39.249 38.487 -0.065 0.000 1.092 227 N HN 0.549 nan 8.380 nan 0.000 0.448 228 P HA 0.193 nan 4.420 nan 0.000 0.258 228 P C -0.025 177.273 177.300 -0.003 0.000 1.416 228 P CA 0.119 63.206 63.100 -0.022 0.000 0.927 228 P CB 0.319 31.990 31.700 -0.048 0.000 1.444 229 L N 0.147 121.383 121.223 0.022 0.000 2.417 229 L HA 0.466 4.806 4.340 0.001 0.000 0.268 229 L C 1.161 178.040 176.870 0.015 0.000 1.158 229 L CA -0.447 54.403 54.840 0.018 0.000 0.819 229 L CB 0.779 42.830 42.059 -0.014 0.000 1.112 229 L HN -0.074 nan 8.230 nan 0.000 0.458 230 A N 1.875 124.729 122.820 0.056 0.000 2.605 230 A HA 0.699 5.020 4.320 0.001 0.000 0.292 230 A C 0.103 177.765 177.584 0.130 0.000 1.055 230 A CA 0.143 52.234 52.037 0.089 0.000 0.969 230 A CB 0.375 19.430 19.000 0.092 0.000 1.236 230 A HN 0.683 nan 8.150 nan 0.000 0.534 231 A N -0.611 122.253 122.820 0.074 0.000 2.498 231 A HA 0.611 4.931 4.320 0.001 0.000 0.298 231 A C 0.833 178.453 177.584 0.060 0.000 1.075 231 A CA 0.201 52.274 52.037 0.060 0.000 0.714 231 A CB 0.860 19.831 19.000 -0.047 0.000 1.299 231 A HN 1.130 nan 8.150 nan 0.000 0.407 232 V N -1.569 118.424 119.914 0.133 0.000 2.951 232 V HA 0.184 4.304 4.120 0.001 0.000 0.255 232 V C 0.392 176.612 176.094 0.209 0.000 1.088 232 V CA 1.327 63.787 62.300 0.266 0.000 1.109 232 V CB -1.036 30.956 31.823 0.282 0.000 0.724 232 V HN 0.731 nan 8.190 nan 0.000 0.471 233 Q N -0.326 119.511 119.800 0.060 0.000 2.418 233 Q HA 0.571 4.911 4.340 0.001 0.000 0.282 233 Q C -1.115 174.815 176.000 -0.116 0.000 1.044 233 Q CA -1.021 54.786 55.803 0.006 0.000 0.813 233 Q CB 2.333 31.084 28.738 0.021 0.000 1.428 233 Q HN 0.300 nan 8.270 nan 0.000 0.402 234 M N 1.300 120.827 119.600 -0.122 0.000 2.307 234 M HA 0.303 4.784 4.480 0.001 0.000 0.346 234 M C 0.745 176.896 176.300 -0.248 0.000 1.552 234 M CA 1.678 56.847 55.300 -0.219 0.000 1.116 234 M CB -0.590 31.901 32.600 -0.182 0.000 1.889 234 M HN 0.852 nan 8.290 nan 0.000 0.460 235 G N 3.826 112.154 108.800 -0.786 0.000 2.176 235 G HA2 -0.166 3.794 3.960 0.001 0.000 0.232 235 G HA3 -0.166 3.794 3.960 0.001 0.000 0.232 235 G C -0.203 174.261 174.900 -0.726 0.000 0.986 235 G CA 0.038 44.492 45.100 -1.077 0.000 0.643 235 G HN 0.679 nan 8.290 nan 0.000 0.522 236 L N 1.062 121.948 121.223 -0.563 0.000 2.360 236 L HA 0.470 4.810 4.340 0.001 0.000 0.271 236 L C 1.832 178.517 176.870 -0.309 0.000 1.057 236 L CA -1.391 53.274 54.840 -0.291 0.000 0.803 236 L CB 0.756 42.741 42.059 -0.124 0.000 1.207 236 L HN -0.134 nan 8.230 nan 0.000 0.445 237 I N 0.448 120.880 120.570 -0.229 0.000 2.206 237 I HA -0.163 4.008 4.170 0.001 0.000 0.239 237 I C 1.362 177.129 176.117 -0.583 0.000 1.078 237 I CA 2.040 63.096 61.300 -0.406 0.000 1.367 237 I CB -0.607 37.019 38.000 -0.624 0.000 1.078 237 I HN 0.640 nan 8.210 nan 0.000 0.413 238 Y N -0.345 119.934 120.300 -0.036 0.000 3.105 238 Y HA 0.270 4.821 4.550 0.001 0.000 0.216 238 Y C 0.701 176.650 175.900 0.082 0.000 0.943 238 Y CA -0.242 57.863 58.100 0.009 0.000 1.535 238 Y CB 0.182 38.642 38.460 0.001 0.000 1.475 238 Y HN -0.101 nan 8.280 nan 0.000 0.435 239 V N -1.553 118.538 119.914 0.294 0.000 3.141 239 V HA 0.511 4.632 4.120 0.001 0.000 0.312 239 V C -0.938 175.261 176.094 0.175 0.000 1.157 239 V CA -1.237 61.200 62.300 0.228 0.000 1.041 239 V CB 1.799 33.774 31.823 0.253 0.000 1.071 239 V HN 0.249 nan 8.190 nan 0.000 0.441 240 N N 2.756 121.545 118.700 0.148 0.000 2.430 240 N HA 0.388 5.128 4.740 0.001 0.000 0.265 240 N C -1.581 174.021 175.510 0.153 0.000 1.100 240 N CA -1.854 51.273 53.050 0.128 0.000 0.961 240 N CB 1.713 40.263 38.487 0.104 0.000 1.075 240 N HN 0.622 nan 8.380 nan 0.000 0.478 241 P HA -0.044 nan 4.420 nan 0.000 0.225 241 P C 0.358 177.771 177.300 0.189 0.000 1.156 241 P CA 1.034 64.250 63.100 0.194 0.000 0.787 241 P CB 0.510 32.332 31.700 0.204 0.000 0.802 242 E N -0.158 120.141 120.200 0.166 0.000 2.274 242 E HA 0.191 4.542 4.350 0.001 0.000 0.194 242 E C 0.983 177.685 176.600 0.171 0.000 0.996 242 E CA 0.543 57.052 56.400 0.183 0.000 0.840 242 E CB -0.149 29.658 29.700 0.179 0.000 0.772 242 E HN 0.271 nan 8.360 nan 0.000 0.491 243 G N 1.113 110.000 108.800 0.144 0.000 2.392 243 G HA2 -0.101 3.859 3.960 0.001 0.000 0.677 243 G HA3 -0.101 3.859 3.960 0.001 0.000 0.677 243 G C -3.092 171.858 174.900 0.083 0.000 1.334 243 G CA -1.317 43.851 45.100 0.114 0.000 0.961 243 G HN -0.206 nan 8.290 nan 0.000 0.616 244 P HA 0.282 nan 4.420 nan 0.000 0.262 244 P C -0.201 177.105 177.300 0.010 0.000 1.199 244 P CA 0.635 63.747 63.100 0.021 0.000 0.763 244 P CB 0.319 32.011 31.700 -0.014 0.000 0.790 245 D N 3.457 123.866 120.400 0.015 0.000 2.737 245 D HA -0.206 4.434 4.640 0.001 0.000 0.233 245 D C 1.175 177.500 176.300 0.042 0.000 1.155 245 D CA 1.944 55.957 54.000 0.022 0.000 0.667 245 D CB -1.564 39.233 40.800 -0.005 0.000 1.060 245 D HN 0.814 nan 8.370 nan 0.000 0.427 246 G N 0.477 109.316 108.800 0.066 0.000 2.159 246 G HA2 -0.361 3.599 3.960 0.001 0.000 0.256 246 G HA3 -0.361 3.599 3.960 0.001 0.000 0.256 246 G C 0.077 175.032 174.900 0.090 0.000 0.977 246 G CA 0.334 45.496 45.100 0.103 0.000 0.652 246 G HN 0.657 nan 8.290 nan 0.000 0.531 247 N N 1.022 119.744 118.700 0.037 0.000 2.439 247 N HA 0.389 5.130 4.740 0.001 0.000 0.249 247 N C -2.404 173.096 175.510 -0.016 0.000 1.003 247 N CA -1.723 51.316 53.050 -0.018 0.000 0.942 247 N CB 1.527 40.007 38.487 -0.012 0.000 1.115 247 N HN 0.046 nan 8.380 nan 0.000 0.505 248 P HA 0.104 nan 4.420 nan 0.000 0.230 248 P C -1.228 176.174 177.300 0.169 0.000 1.791 248 P CA 0.012 63.136 63.100 0.039 0.000 1.020 248 P CB -0.207 31.384 31.700 -0.182 0.000 1.977 249 D N 2.408 122.874 120.400 0.109 0.000 2.441 249 D HA 0.239 4.879 4.640 0.001 0.000 0.231 249 D C -1.747 174.588 176.300 0.059 0.000 1.073 249 D CA -2.630 51.417 54.000 0.078 0.000 0.850 249 D CB 1.589 42.407 40.800 0.031 0.000 1.062 249 D HN -0.047 nan 8.370 nan 0.000 0.524 250 P HA -0.128 nan 4.420 nan 0.000 0.218 250 P C 1.529 178.859 177.300 0.050 0.000 1.148 250 P CA 0.476 63.577 63.100 0.002 0.000 0.822 250 P CB 0.475 32.125 31.700 -0.083 0.000 0.784 251 V N 0.301 120.233 119.914 0.031 0.000 2.307 251 V HA -0.223 3.897 4.120 0.001 0.000 0.245 251 V C 2.522 178.637 176.094 0.035 0.000 1.045 251 V CA 2.251 64.578 62.300 0.044 0.000 1.024 251 V CB -1.750 30.087 31.823 0.024 0.000 0.651 251 V HN 0.098 nan 8.190 nan 0.000 0.449 252 A N 0.054 122.891 122.820 0.027 0.000 1.902 252 A HA -0.102 4.218 4.320 0.001 0.000 0.217 252 A C 2.433 180.044 177.584 0.045 0.000 1.181 252 A CA 2.047 54.099 52.037 0.025 0.000 0.623 252 A CB -0.816 18.192 19.000 0.013 0.000 0.818 252 A HN 0.568 nan 8.150 nan 0.000 0.443 253 A N 0.040 122.898 122.820 0.063 0.000 1.908 253 A HA 0.088 4.408 4.320 0.001 0.000 0.218 253 A C 2.500 180.152 177.584 0.114 0.000 1.181 253 A CA 2.237 54.329 52.037 0.091 0.000 0.627 253 A CB -1.095 17.965 19.000 0.099 0.000 0.818 253 A HN 1.168 nan 8.150 nan 0.000 0.445 254 A N -0.412 122.479 122.820 0.118 0.000 2.024 254 A HA -0.201 4.119 4.320 0.001 0.000 0.220 254 A C 2.221 179.868 177.584 0.105 0.000 1.164 254 A CA 1.651 53.788 52.037 0.166 0.000 0.643 254 A CB -0.461 18.620 19.000 0.136 0.000 0.806 254 A HN 0.594 nan 8.150 nan 0.000 0.451 255 R N -0.673 119.865 120.500 0.062 0.000 2.075 255 R HA -0.092 4.248 4.340 0.001 0.000 0.232 255 R C 1.502 177.863 176.300 0.101 0.000 1.126 255 R CA 1.411 57.541 56.100 0.051 0.000 0.963 255 R CB -0.325 29.995 30.300 0.033 0.000 0.858 255 R HN 0.426 nan 8.270 nan 0.000 0.435 256 D N 0.536 121.008 120.400 0.120 0.000 2.144 256 D HA -0.075 4.565 4.640 0.001 0.000 0.200 256 D C 1.825 178.254 176.300 0.214 0.000 0.978 256 D CA 0.942 55.041 54.000 0.166 0.000 0.833 256 D CB -0.039 40.853 40.800 0.154 0.000 0.961 256 D HN 0.151 nan 8.370 nan 0.000 0.470 257 I N 0.355 121.052 120.570 0.212 0.000 2.179 257 I HA -0.239 3.931 4.170 0.001 0.000 0.242 257 I C 2.536 178.811 176.117 0.263 0.000 1.088 257 I CA 0.948 62.393 61.300 0.241 0.000 1.357 257 I CB -0.145 37.932 38.000 0.128 0.000 1.051 257 I HN -0.083 nan 8.210 nan 0.000 0.409 258 R N 0.785 121.422 120.500 0.229 0.000 2.081 258 R HA -0.239 4.102 4.340 0.001 0.000 0.235 258 R C 2.035 178.446 176.300 0.186 0.000 1.131 258 R CA 2.188 58.408 56.100 0.201 0.000 0.960 258 R CB -0.247 30.091 30.300 0.065 0.000 0.856 258 R HN 0.309 nan 8.270 nan 0.000 0.436 259 D N -0.643 119.860 120.400 0.171 0.000 2.084 259 D HA -0.138 4.503 4.640 0.001 0.000 0.196 259 D C 1.813 178.219 176.300 0.177 0.000 0.985 259 D CA 2.284 56.379 54.000 0.159 0.000 0.826 259 D CB -0.166 40.733 40.800 0.166 0.000 0.978 259 D HN 0.386 nan 8.370 nan 0.000 0.456 260 T N -2.149 112.537 114.554 0.221 0.000 2.777 260 T HA -0.118 4.232 4.350 0.001 0.000 0.266 260 T C 2.099 176.868 174.700 0.115 0.000 1.040 260 T CA 0.802 63.029 62.100 0.212 0.000 1.141 260 T CB -0.949 68.097 68.868 0.297 0.000 0.868 260 T HN 0.071 nan 8.240 nan 0.000 0.444 261 F N 2.326 122.227 119.950 -0.081 0.000 2.186 261 F HA 0.244 4.771 4.527 0.001 0.000 0.299 261 F C 2.944 178.725 175.800 -0.030 0.000 1.090 261 F CA 0.587 58.477 58.000 -0.184 0.000 1.307 261 F CB -0.872 38.009 39.000 -0.199 0.000 1.019 261 F HN 0.255 nan 8.300 nan 0.000 0.489 262 A N 0.084 123.018 122.820 0.190 0.000 1.940 262 A HA -0.212 4.108 4.320 0.001 0.000 0.219 262 A C 2.198 179.841 177.584 0.099 0.000 1.176 262 A CA 1.583 53.701 52.037 0.134 0.000 0.631 262 A CB -0.655 18.415 19.000 0.118 0.000 0.814 262 A HN 0.338 nan 8.150 nan 0.000 0.446 263 R N -1.056 119.498 120.500 0.090 0.000 2.316 263 R HA 0.153 4.493 4.340 0.001 0.000 0.202 263 R C 0.846 177.173 176.300 0.044 0.000 1.029 263 R CA 0.748 56.882 56.100 0.057 0.000 1.018 263 R CB -0.113 30.224 30.300 0.062 0.000 0.888 263 R HN 0.529 nan 8.270 nan 0.000 0.471 264 M N -0.679 118.968 119.600 0.078 0.000 2.484 264 M HA 0.287 4.768 4.480 0.001 0.000 0.307 264 M C 0.255 176.676 176.300 0.202 0.000 1.149 264 M CA -0.115 55.278 55.300 0.156 0.000 0.972 264 M CB 1.263 33.959 32.600 0.159 0.000 1.400 264 M HN 0.125 nan 8.290 nan 0.000 0.508 265 A N 0.479 123.387 122.820 0.146 0.000 3.031 265 A HA -0.138 4.182 4.320 0.001 0.000 0.244 265 A C 0.025 177.655 177.584 0.077 0.000 1.341 265 A CA 0.799 52.912 52.037 0.128 0.000 0.943 265 A CB -1.499 17.605 19.000 0.172 0.000 1.122 265 A HN 0.477 nan 8.150 nan 0.000 0.760 266 M N 0.789 120.451 119.600 0.103 0.000 2.294 266 M HA 0.414 4.895 4.480 0.001 0.000 0.335 266 M C 0.402 176.795 176.300 0.154 0.000 1.079 266 M CA -0.647 54.731 55.300 0.129 0.000 0.982 266 M CB 1.345 34.078 32.600 0.221 0.000 1.651 266 M HN 0.696 nan 8.290 nan 0.000 0.437 267 N N 1.047 119.826 118.700 0.131 0.000 2.476 267 N HA 0.226 4.966 4.740 0.001 0.000 0.287 267 N C 0.121 175.715 175.510 0.140 0.000 1.262 267 N CA -0.262 52.864 53.050 0.128 0.000 0.980 267 N CB 0.455 39.009 38.487 0.112 0.000 1.163 267 N HN 0.367 nan 8.380 nan 0.000 0.592 268 D N -0.730 119.761 120.400 0.151 0.000 2.117 268 D HA -0.174 4.466 4.640 0.001 0.000 0.197 268 D C 1.341 177.736 176.300 0.159 0.000 0.987 268 D CA 1.274 55.412 54.000 0.231 0.000 0.829 268 D CB -0.179 40.735 40.800 0.189 0.000 0.961 268 D HN 0.814 nan 8.370 nan 0.000 0.460 269 E N 0.572 120.848 120.200 0.126 0.000 2.106 269 E HA -0.186 4.164 4.350 0.001 0.000 0.192 269 E C 1.624 178.363 176.600 0.232 0.000 0.984 269 E CA 0.878 57.364 56.400 0.144 0.000 0.806 269 E CB 0.123 29.912 29.700 0.149 0.000 0.750 269 E HN 0.315 nan 8.360 nan 0.000 0.458 270 E N -0.274 120.033 120.200 0.179 0.000 2.072 270 E HA -0.123 4.227 4.350 0.001 0.000 0.191 270 E C 2.119 178.793 176.600 0.124 0.000 0.985 270 E CA 1.637 58.144 56.400 0.179 0.000 0.801 270 E CB -0.006 29.778 29.700 0.140 0.000 0.750 270 E HN 0.236 nan 8.360 nan 0.000 0.452 271 T N 0.942 115.490 114.554 -0.009 0.000 2.652 271 T HA -0.154 4.196 4.350 0.001 0.000 0.267 271 T C 2.128 176.596 174.700 -0.387 0.000 1.039 271 T CA 1.335 63.220 62.100 -0.358 0.000 1.153 271 T CB -0.312 68.237 68.868 -0.532 0.000 0.863 271 T HN -0.026 nan 8.240 nan 0.000 0.428 272 V N 1.799 121.558 119.914 -0.258 0.000 2.295 272 V HA -0.181 3.939 4.120 0.001 0.000 0.246 272 V C 2.915 179.081 176.094 0.119 0.000 1.049 272 V CA 1.702 63.911 62.300 -0.152 0.000 1.024 272 V CB -1.318 30.487 31.823 -0.029 0.000 0.648 272 V HN 0.547 nan 8.190 nan 0.000 0.447 273 A N -0.193 122.845 122.820 0.363 0.000 1.883 273 A HA -0.174 4.146 4.320 0.001 0.000 0.217 273 A C 2.242 179.944 177.584 0.197 0.000 1.186 273 A CA 1.948 54.256 52.037 0.451 0.000 0.624 273 A CB -0.571 18.707 19.000 0.463 0.000 0.822 273 A HN 0.496 nan 8.150 nan 0.000 0.444 274 L N -0.770 120.559 121.223 0.177 0.000 2.017 274 L HA -0.167 4.173 4.340 0.001 0.000 0.208 274 L C 2.525 179.290 176.870 -0.175 0.000 1.073 274 L CA 1.344 56.287 54.840 0.172 0.000 0.745 274 L CB -0.460 41.778 42.059 0.298 0.000 0.894 274 L HN 0.387 nan 8.230 nan 0.000 0.432 275 I N -0.399 119.968 120.570 -0.338 0.000 2.233 275 I HA -0.218 3.952 4.170 0.001 0.000 0.243 275 I C 2.751 178.292 176.117 -0.961 0.000 1.093 275 I CA 1.089 62.020 61.300 -0.615 0.000 1.380 275 I CB -0.424 37.228 38.000 -0.580 0.000 1.067 275 I HN 0.163 nan 8.210 nan 0.000 0.413 276 A N 0.863 123.122 122.820 -0.936 0.000 1.969 276 A HA -0.066 4.255 4.320 0.001 0.000 0.218 276 A C 2.394 179.388 177.584 -0.984 0.000 1.169 276 A CA 1.703 52.817 52.037 -1.538 0.000 0.635 276 A CB -1.291 16.898 19.000 -1.352 0.000 0.810 276 A HN 0.460 nan 8.150 nan 0.000 0.445 277 G N -0.432 107.920 108.800 -0.746 0.000 2.404 277 G HA2 0.052 4.012 3.960 0.001 0.000 0.215 277 G HA3 0.052 4.012 3.960 0.001 0.000 0.215 277 G C 1.529 175.858 174.900 -0.952 0.000 1.174 277 G CA 1.205 45.471 45.100 -1.389 0.000 0.780 277 G HN 0.655 nan 8.290 nan 0.000 0.537 278 G N -0.237 108.173 108.800 -0.651 0.000 2.404 278 G HA2 -0.148 3.813 3.960 0.001 0.000 0.215 278 G HA3 -0.148 3.813 3.960 0.001 0.000 0.215 278 G C 1.378 176.157 174.900 -0.202 0.000 1.174 278 G CA 0.689 45.680 45.100 -0.182 0.000 0.780 278 G HN 0.651 nan 8.290 nan 0.000 0.537 279 H N 0.010 118.608 119.070 -0.785 0.000 2.547 279 H HA 0.121 4.678 4.556 0.000 0.000 0.274 279 H C 1.880 176.737 175.328 -0.786 0.000 1.024 279 H CA 0.100 55.374 56.048 -1.290 0.000 1.155 279 H CB 0.354 29.027 29.762 -1.816 0.000 1.344 279 H HN 0.237 nan 8.280 nan 0.000 0.598 280 T N 0.198 114.436 114.554 -0.527 0.000 3.023 280 T HA -0.018 4.333 4.350 0.001 0.000 0.266 280 T C 0.145 174.515 174.700 -0.549 0.000 1.093 280 T CA 0.781 62.542 62.100 -0.566 0.000 1.129 280 T CB 0.046 68.381 68.868 -0.889 0.000 0.899 280 T HN 0.100 nan 8.240 nan 0.000 0.491 281 F N 0.204 120.141 119.950 -0.021 0.000 2.522 281 F HA 0.580 5.107 4.527 0.001 0.000 0.324 281 F C 1.256 177.179 175.800 0.204 0.000 1.077 281 F CA -0.550 57.480 58.000 0.051 0.000 0.944 281 F CB 1.380 40.398 39.000 0.030 0.000 1.175 281 F HN 0.234 nan 8.300 nan 0.000 0.468 282 G N 2.457 111.478 108.800 0.370 0.000 2.562 282 G HA2 -0.112 3.849 3.960 0.001 0.000 0.250 282 G HA3 -0.112 3.849 3.960 0.001 0.000 0.250 282 G C -1.081 174.085 174.900 0.444 0.000 1.269 282 G CA 0.047 45.393 45.100 0.409 0.000 0.919 282 G HN 1.053 nan 8.290 nan 0.000 0.574 283 K N -1.850 118.752 120.400 0.336 0.000 2.579 283 K HA 0.718 5.038 4.320 0.001 0.000 0.284 283 K C -0.125 176.321 176.600 -0.256 0.000 0.990 283 K CA -0.205 56.016 56.287 -0.110 0.000 0.880 283 K CB 1.297 33.726 32.500 -0.118 0.000 1.488 283 K HN 1.362 nan 8.250 nan 0.000 0.425 284 T N -1.267 112.983 114.554 -0.508 0.000 2.862 284 T HA 0.444 4.794 4.350 0.001 0.000 0.276 284 T C -0.684 173.658 174.700 -0.596 0.000 0.974 284 T CA -0.391 61.509 62.100 -0.334 0.000 0.966 284 T CB 0.522 69.252 68.868 -0.231 0.000 1.072 284 T HN 0.666 nan 8.240 nan 0.000 0.538 285 H N -1.067 117.984 119.070 -0.031 0.000 2.906 285 H HA 0.606 5.162 4.556 0.001 0.000 0.324 285 H C 0.296 175.598 175.328 -0.043 0.000 0.973 285 H CA -0.639 55.396 56.048 -0.023 0.000 1.321 285 H CB 1.521 31.309 29.762 0.042 0.000 1.535 285 H HN 1.047 nan 8.280 nan 0.000 0.518 286 G N 1.266 110.062 108.800 -0.006 0.000 4.876 286 G HA2 0.404 4.365 3.960 0.001 0.000 0.219 286 G HA3 0.404 4.365 3.960 0.001 0.000 0.219 286 G C 0.753 175.587 174.900 -0.110 0.000 0.877 286 G CA 0.103 45.169 45.100 -0.058 0.000 0.718 286 G HN 0.712 nan 8.290 nan 0.000 0.518 287 A N -0.336 122.430 122.820 -0.090 0.000 2.119 287 A HA 0.626 4.946 4.320 0.001 0.000 0.216 287 A C 1.372 178.742 177.584 -0.358 0.000 1.152 287 A CA 1.302 53.281 52.037 -0.097 0.000 0.708 287 A CB 0.150 19.201 19.000 0.083 0.000 0.805 287 A HN 1.251 nan 8.150 nan 0.000 0.460 288 G N -2.034 106.385 108.800 -0.635 0.000 2.687 288 G HA2 0.517 4.478 3.960 0.001 0.000 0.291 288 G HA3 0.517 4.478 3.960 0.001 0.000 0.291 288 G C -3.500 171.078 174.900 -0.537 0.000 1.420 288 G CA -1.321 43.144 45.100 -1.058 0.000 0.796 288 G HN -0.106 nan 8.290 nan 0.000 0.485 289 P HA 0.234 nan 4.420 nan 0.000 0.266 289 P C 0.739 177.962 177.300 -0.129 0.000 1.195 289 P CA 0.529 63.514 63.100 -0.191 0.000 0.768 289 P CB 1.179 32.807 31.700 -0.119 0.000 0.838 290 A N 2.869 125.641 122.820 -0.079 0.000 2.066 290 A HA -0.129 4.192 4.320 0.001 0.000 0.218 290 A C 2.047 179.632 177.584 0.002 0.000 1.157 290 A CA 1.684 53.701 52.037 -0.033 0.000 0.670 290 A CB -1.450 17.535 19.000 -0.024 0.000 0.804 290 A HN 0.589 nan 8.150 nan 0.000 0.453 291 S N 0.575 116.273 115.700 -0.003 0.000 2.465 291 S HA -0.164 4.307 4.470 0.001 0.000 0.241 291 S C 1.443 176.064 174.600 0.036 0.000 1.000 291 S CA 1.194 59.404 58.200 0.017 0.000 0.964 291 S CB -0.685 62.521 63.200 0.010 0.000 0.763 291 S HN 0.622 nan 8.310 nan 0.000 0.512 292 N N 1.116 119.839 118.700 0.039 0.000 2.459 292 N HA 0.048 4.788 4.740 0.001 0.000 0.181 292 N C -0.158 175.409 175.510 0.094 0.000 1.046 292 N CA 0.476 53.573 53.050 0.078 0.000 0.904 292 N CB 0.008 38.564 38.487 0.115 0.000 0.964 292 N HN 0.325 nan 8.380 nan 0.000 0.444 293 V N 1.061 121.030 119.914 0.092 0.000 2.432 293 V HA 0.368 4.489 4.120 0.001 0.000 0.275 293 V C 1.149 177.313 176.094 0.115 0.000 1.043 293 V CA -0.785 61.595 62.300 0.132 0.000 0.925 293 V CB 1.091 33.013 31.823 0.166 0.000 0.985 293 V HN 0.072 nan 8.190 nan 0.000 0.466 294 G N 3.035 111.893 108.800 0.097 0.000 2.516 294 G HA2 0.514 4.475 3.960 0.001 0.000 0.276 294 G HA3 0.514 4.475 3.960 0.001 0.000 0.276 294 G C 0.315 175.198 174.900 -0.028 0.000 1.390 294 G CA -0.135 44.986 45.100 0.034 0.000 1.050 294 G HN 1.118 nan 8.290 nan 0.000 0.519 295 A N 0.086 122.845 122.820 -0.102 0.000 2.565 295 A HA 0.354 4.674 4.320 0.001 0.000 0.237 295 A C 1.043 178.337 177.584 -0.483 0.000 1.053 295 A CA 0.044 51.960 52.037 -0.201 0.000 0.755 295 A CB -0.100 18.808 19.000 -0.153 0.000 0.980 295 A HN 0.747 nan 8.150 nan 0.000 0.506 296 E N 3.152 122.965 120.200 -0.645 0.000 2.438 296 E HA -0.010 4.341 4.350 0.001 0.000 0.261 296 E C -2.104 174.010 176.600 -0.809 0.000 1.103 296 E CA -0.867 54.834 56.400 -1.165 0.000 0.959 296 E CB -0.387 28.887 29.700 -0.710 0.000 0.958 296 E HN 0.357 nan 8.360 nan 0.000 0.447 297 P HA -0.203 nan 4.420 nan 0.000 0.216 297 P C 1.037 178.158 177.300 -0.299 0.000 1.157 297 P CA 1.563 64.362 63.100 -0.502 0.000 0.880 297 P CB 0.146 31.585 31.700 -0.435 0.000 0.791 298 E N -1.153 118.904 120.200 -0.238 0.000 2.333 298 E HA -0.075 4.275 4.350 0.001 0.000 0.198 298 E C 1.725 178.266 176.600 -0.098 0.000 1.007 298 E CA 1.143 57.471 56.400 -0.120 0.000 0.845 298 E CB -0.454 29.219 29.700 -0.044 0.000 0.766 298 E HN 0.236 nan 8.360 nan 0.000 0.507 299 A N 0.442 123.179 122.820 -0.137 0.000 2.303 299 A HA 0.434 4.754 4.320 0.001 0.000 0.217 299 A C 1.242 178.756 177.584 -0.117 0.000 1.205 299 A CA 0.386 52.364 52.037 -0.098 0.000 0.875 299 A CB 0.230 19.183 19.000 -0.077 0.000 0.910 299 A HN 0.149 nan 8.150 nan 0.000 0.501 300 A N 0.079 122.801 122.820 -0.163 0.000 2.346 300 A HA 0.533 4.854 4.320 0.001 0.000 0.252 300 A C 0.994 178.516 177.584 -0.104 0.000 1.089 300 A CA 0.183 52.132 52.037 -0.147 0.000 0.797 300 A CB -0.435 18.451 19.000 -0.191 0.000 1.047 300 A HN 0.879 nan 8.150 nan 0.000 0.494 301 G N -0.711 108.038 108.800 -0.085 0.000 2.554 301 G HA2 0.308 4.268 3.960 0.001 0.000 0.238 301 G HA3 0.308 4.268 3.960 0.001 0.000 0.238 301 G C 0.888 175.744 174.900 -0.072 0.000 1.259 301 G CA 0.021 45.081 45.100 -0.067 0.000 0.843 301 G HN 0.827 nan 8.290 nan 0.000 0.582 302 I N 0.409 120.942 120.570 -0.061 0.000 2.248 302 I HA -0.207 3.964 4.170 0.001 0.000 0.248 302 I C 2.823 178.900 176.117 -0.066 0.000 1.107 302 I CA 1.885 63.148 61.300 -0.061 0.000 1.373 302 I CB 0.071 38.042 38.000 -0.048 0.000 1.055 302 I HN 0.778 nan 8.210 nan 0.000 0.418 303 E N 1.237 121.401 120.200 -0.059 0.000 2.338 303 E HA -0.173 4.177 4.350 0.001 0.000 0.197 303 E C 1.835 178.390 176.600 -0.074 0.000 1.007 303 E CA 1.157 57.521 56.400 -0.059 0.000 0.849 303 E CB -0.352 29.322 29.700 -0.045 0.000 0.774 303 E HN 0.531 nan 8.360 nan 0.000 0.506 304 A N 0.909 123.679 122.820 -0.085 0.000 2.119 304 A HA -0.102 4.219 4.320 0.001 0.000 0.217 304 A C 0.871 178.379 177.584 -0.127 0.000 1.153 304 A CA 0.618 52.594 52.037 -0.101 0.000 0.692 304 A CB -0.189 18.744 19.000 -0.112 0.000 0.799 304 A HN 0.184 nan 8.150 nan 0.000 0.458 305 Q N -2.494 117.233 119.800 -0.122 0.000 2.463 305 Q HA -0.242 4.098 4.340 0.001 0.000 0.299 305 Q C 0.912 176.813 176.000 -0.164 0.000 1.353 305 Q CA 1.306 57.027 55.803 -0.137 0.000 0.828 305 Q CB -2.317 26.336 28.738 -0.142 0.000 1.157 305 Q HN 1.765 nan 8.270 nan 0.000 0.436 306 G N -1.566 107.138 108.800 -0.160 0.000 2.175 306 G HA2 -0.300 3.660 3.960 0.001 0.000 0.244 306 G HA3 -0.300 3.660 3.960 0.001 0.000 0.244 306 G C 0.234 175.018 174.900 -0.193 0.000 0.982 306 G CA 0.344 45.337 45.100 -0.178 0.000 0.641 306 G HN 0.317 nan 8.290 nan 0.000 0.527 307 L N -0.013 121.099 121.223 -0.184 0.000 2.387 307 L HA 0.819 5.159 4.340 0.001 0.000 0.266 307 L C 1.034 177.777 176.870 -0.212 0.000 1.059 307 L CA -0.317 54.420 54.840 -0.172 0.000 0.801 307 L CB 1.556 43.526 42.059 -0.148 0.000 1.223 307 L HN 0.318 nan 8.230 nan 0.000 0.456 308 G N -2.203 106.466 108.800 -0.217 0.000 2.782 308 G HA2 0.384 4.344 3.960 0.001 0.000 0.304 308 G HA3 0.384 4.344 3.960 0.001 0.000 0.304 308 G C -1.400 173.441 174.900 -0.099 0.000 1.315 308 G CA -0.499 44.374 45.100 -0.378 0.000 0.791 308 G HN 0.704 nan 8.290 nan 0.000 0.519 309 W N 0.099 121.356 121.300 -0.072 0.000 5.121 309 W HA -0.167 4.493 4.660 0.001 0.000 0.372 309 W C 0.718 177.235 176.519 -0.003 0.000 1.394 309 W CA 0.865 58.183 57.345 -0.046 0.000 0.885 309 W CB -1.128 28.292 29.460 -0.066 0.000 2.520 309 W HN 0.605 nan 8.180 nan 0.000 1.455 310 K N 1.639 122.110 120.400 0.119 0.000 2.412 310 K HA 0.227 4.547 4.320 0.001 0.000 0.281 310 K C 0.496 177.180 176.600 0.140 0.000 1.027 310 K CA 0.427 56.786 56.287 0.121 0.000 0.989 310 K CB 0.774 33.306 32.500 0.055 0.000 0.935 310 K HN -0.030 nan 8.250 nan 0.000 0.475 311 S N 2.973 118.775 115.700 0.170 0.000 2.454 311 S HA 0.460 4.931 4.470 0.001 0.000 0.306 311 S C 0.391 175.073 174.600 0.135 0.000 1.100 311 S CA -0.473 57.827 58.200 0.166 0.000 1.087 311 S CB 1.534 64.859 63.200 0.208 0.000 1.019 311 S HN 0.681 nan 8.310 nan 0.000 0.480 312 A N 4.217 127.112 122.820 0.124 0.000 2.238 312 A HA 0.201 4.521 4.320 0.001 0.000 0.208 312 A C 0.198 177.854 177.584 0.120 0.000 1.177 312 A CA 0.047 52.142 52.037 0.097 0.000 0.804 312 A CB -0.410 18.636 19.000 0.077 0.000 0.823 312 A HN 0.845 nan 8.150 nan 0.000 0.482 313 Y N 2.220 122.534 120.300 0.023 0.000 2.486 313 Y HA 0.345 4.895 4.550 0.000 0.000 0.348 313 Y C 1.045 176.938 175.900 -0.011 0.000 1.000 313 Y CA -0.594 57.510 58.100 0.005 0.000 1.253 313 Y CB -0.281 38.183 38.460 0.006 0.000 1.140 313 Y HN 0.548 nan 8.280 nan 0.000 0.526 314 R N 0.582 120.758 120.500 -0.540 0.000 3.793 314 R HA -0.348 3.993 4.340 0.001 0.000 0.464 314 R C 1.568 177.734 176.300 -0.225 0.000 0.241 314 R CA 2.502 58.328 56.100 -0.457 0.000 1.464 314 R CB -1.750 28.130 30.300 -0.699 0.000 0.954 314 R HN 0.766 nan 8.270 nan 0.000 0.583 315 T N -0.725 113.708 114.554 -0.202 0.000 3.085 315 T HA 0.157 4.507 4.350 0.001 0.000 0.263 315 T C 1.452 176.121 174.700 -0.052 0.000 1.127 315 T CA 1.315 63.342 62.100 -0.122 0.000 1.103 315 T CB 0.075 68.850 68.868 -0.155 0.000 0.921 315 T HN 1.213 nan 8.240 nan 0.000 0.510 316 G N 1.924 110.713 108.800 -0.018 0.000 2.168 316 G HA2 -0.293 3.668 3.960 0.001 0.000 0.263 316 G HA3 -0.293 3.668 3.960 0.001 0.000 0.263 316 G C -0.042 174.912 174.900 0.089 0.000 0.977 316 G CA 0.770 45.923 45.100 0.088 0.000 0.659 316 G HN 1.045 nan 8.290 nan 0.000 0.533 317 K N -2.326 118.006 120.400 -0.113 0.000 2.571 317 K HA 0.668 4.988 4.320 0.001 0.000 0.289 317 K C 1.099 177.348 176.600 -0.585 0.000 1.028 317 K CA -0.141 55.880 56.287 -0.444 0.000 0.895 317 K CB 1.081 33.402 32.500 -0.298 0.000 1.534 317 K HN 1.686 nan 8.250 nan 0.000 0.421 318 G N 0.822 109.111 108.800 -0.852 0.000 2.629 318 G HA2 -0.454 3.506 3.960 0.001 0.000 0.313 318 G HA3 -0.454 3.506 3.960 0.001 0.000 0.313 318 G C 1.075 175.507 174.900 -0.780 0.000 1.217 318 G CA 1.678 46.243 45.100 -0.891 0.000 0.994 318 G HN 1.289 nan 8.290 nan 0.000 0.549 319 A N -0.615 121.512 122.820 -1.154 0.000 2.070 319 A HA 0.125 4.446 4.320 0.001 0.000 0.220 319 A C 1.707 179.177 177.584 -0.190 0.000 1.159 319 A CA 2.413 54.149 52.037 -0.501 0.000 0.656 319 A CB -0.275 18.468 19.000 -0.429 0.000 0.800 319 A HN 0.598 nan 8.150 nan 0.000 0.453 320 D N -0.082 120.198 120.400 -0.200 0.000 2.368 320 D HA 0.345 4.985 4.640 0.001 0.000 0.218 320 D C 0.549 176.905 176.300 0.093 0.000 1.112 320 D CA 0.491 54.502 54.000 0.019 0.000 0.834 320 D CB -0.004 40.763 40.800 -0.055 0.000 0.953 320 D HN 0.407 nan 8.370 nan 0.000 0.505 321 A N 0.947 123.761 122.820 -0.010 0.000 2.477 321 A HA 0.366 4.686 4.320 0.001 0.000 0.246 321 A C 0.220 177.889 177.584 0.143 0.000 1.078 321 A CA 0.172 52.226 52.037 0.029 0.000 0.770 321 A CB 0.151 19.085 19.000 -0.109 0.000 1.011 321 A HN 0.182 nan 8.150 nan 0.000 0.494 322 I N 2.529 123.197 120.570 0.163 0.000 2.447 322 I HA 0.334 4.505 4.170 0.001 0.000 0.287 322 I C 0.529 176.706 176.117 0.101 0.000 1.023 322 I CA -0.257 61.109 61.300 0.109 0.000 1.083 322 I CB 2.238 40.266 38.000 0.046 0.000 1.245 322 I HN 0.776 nan 8.210 nan 0.000 0.434 323 T N 1.321 115.921 114.554 0.076 0.000 3.447 323 T HA -0.023 4.327 4.350 0.001 0.000 0.218 323 T C 1.595 176.252 174.700 -0.072 0.000 0.972 323 T CA 0.797 62.876 62.100 -0.035 0.000 1.264 323 T CB -0.013 68.866 68.868 0.019 0.000 1.284 323 T HN 0.635 nan 8.240 nan 0.000 0.361 324 S N 0.560 116.259 115.700 -0.001 0.000 2.470 324 S HA 0.353 4.823 4.470 0.001 0.000 0.225 324 S C 1.913 176.507 174.600 -0.011 0.000 1.006 324 S CA 1.053 59.251 58.200 -0.003 0.000 0.934 324 S CB -0.147 63.080 63.200 0.044 0.000 0.778 324 S HN 1.051 nan 8.310 nan 0.000 0.517 325 G N 0.487 109.277 108.800 -0.016 0.000 2.176 325 G HA2 -0.189 3.771 3.960 0.001 0.000 0.232 325 G HA3 -0.189 3.771 3.960 0.001 0.000 0.232 325 G C -0.148 174.717 174.900 -0.058 0.000 0.986 325 G CA 0.146 45.220 45.100 -0.043 0.000 0.643 325 G HN 0.512 nan 8.290 nan 0.000 0.522 326 L N 0.181 121.377 121.223 -0.045 0.000 2.343 326 L HA 0.778 5.118 4.340 0.001 0.000 0.275 326 L C 0.220 177.016 176.870 -0.123 0.000 1.056 326 L CA -0.864 53.933 54.840 -0.072 0.000 0.804 326 L CB 1.778 43.813 42.059 -0.041 0.000 1.203 326 L HN 0.097 nan 8.230 nan 0.000 0.440 327 E N 2.033 122.135 120.200 -0.164 0.000 2.675 327 E HA 0.447 4.797 4.350 0.001 0.000 0.236 327 E C -1.774 174.656 176.600 -0.283 0.000 1.059 327 E CA -0.210 56.057 56.400 -0.222 0.000 0.775 327 E CB 1.089 30.679 29.700 -0.185 0.000 1.356 327 E HN 0.223 nan 8.360 nan 0.000 0.403 328 V N 3.033 122.702 119.914 -0.408 0.000 2.531 328 V HA 0.569 4.689 4.120 0.001 0.000 0.301 328 V C -0.415 175.207 176.094 -0.786 0.000 1.034 328 V CA -0.679 61.279 62.300 -0.571 0.000 0.865 328 V CB 2.297 33.721 31.823 -0.665 0.000 0.995 328 V HN 0.572 nan 8.190 nan 0.000 0.424 329 T N 4.537 118.743 114.554 -0.581 0.000 2.809 329 T HA 0.310 4.660 4.350 0.001 0.000 0.284 329 T C 0.442 174.960 174.700 -0.302 0.000 0.992 329 T CA -0.403 61.442 62.100 -0.424 0.000 0.957 329 T CB 1.053 69.865 68.868 -0.094 0.000 0.942 329 T HN 0.709 nan 8.240 nan 0.000 0.439 330 W N 2.520 123.801 121.300 -0.032 0.000 2.481 330 W HA 0.027 4.688 4.660 0.000 0.000 0.293 330 W C 1.447 177.942 176.519 -0.041 0.000 1.201 330 W CA 0.558 57.884 57.345 -0.031 0.000 1.328 330 W CB -0.384 29.111 29.460 0.058 0.000 1.112 330 W HN 0.579 nan 8.180 nan 0.000 0.546 331 T N -3.130 111.531 114.554 0.179 0.000 2.942 331 T HA 0.290 4.640 4.350 0.001 0.000 0.289 331 T C 1.013 175.700 174.700 -0.022 0.000 1.044 331 T CA 0.078 62.205 62.100 0.044 0.000 1.023 331 T CB 2.266 71.112 68.868 -0.036 0.000 1.123 331 T HN -0.026 nan 8.240 nan 0.000 0.512 332 T N -1.790 112.745 114.554 -0.032 0.000 3.085 332 T HA 0.101 4.452 4.350 0.001 0.000 0.263 332 T C 1.000 175.646 174.700 -0.090 0.000 1.127 332 T CA 0.836 62.912 62.100 -0.039 0.000 1.103 332 T CB -0.750 68.107 68.868 -0.019 0.000 0.921 332 T HN 1.023 nan 8.240 nan 0.000 0.510 333 T N -0.920 113.555 114.554 -0.131 0.000 3.410 333 T HA 0.485 4.835 4.350 0.001 0.000 0.328 333 T C -2.627 171.941 174.700 -0.221 0.000 1.567 333 T CA -1.473 60.528 62.100 -0.166 0.000 1.626 333 T CB 1.435 70.237 68.868 -0.110 0.000 0.939 333 T HN -0.084 nan 8.240 nan 0.000 0.656 334 P HA -0.005 nan 4.420 nan 0.000 0.231 334 P C 1.291 178.473 177.300 -0.197 0.000 1.158 334 P CA 0.878 63.762 63.100 -0.359 0.000 0.763 334 P CB -0.099 31.105 31.700 -0.826 0.000 0.805 335 T N -5.282 109.145 114.554 -0.212 0.000 3.174 335 T HA 0.285 4.635 4.350 0.001 0.000 0.269 335 T C 0.292 174.983 174.700 -0.016 0.000 1.017 335 T CA -0.313 61.695 62.100 -0.153 0.000 0.899 335 T CB -0.326 68.405 68.868 -0.228 0.000 1.077 335 T HN 0.032 nan 8.240 nan 0.000 0.552 336 Q N 0.536 120.390 119.800 0.090 0.000 2.289 336 Q HA 0.280 4.620 4.340 0.001 0.000 0.270 336 Q C -1.311 174.800 176.000 0.185 0.000 1.038 336 Q CA -0.909 54.996 55.803 0.170 0.000 0.812 336 Q CB 2.054 30.832 28.738 0.067 0.000 1.300 336 Q HN 0.557 nan 8.270 nan 0.000 0.427 337 W N 3.308 124.724 121.300 0.193 0.000 2.231 337 W HA 0.208 4.868 4.660 0.000 0.000 0.341 337 W C -0.462 176.059 176.519 0.002 0.000 1.298 337 W CA 1.189 58.565 57.345 0.051 0.000 1.266 337 W CB 0.815 30.471 29.460 0.326 0.000 1.172 337 W HN 0.779 nan 8.180 nan 0.000 0.568 338 S N 3.441 118.541 115.700 -0.999 0.000 2.661 338 S HA 0.229 4.699 4.470 0.001 0.000 0.268 338 S C -0.129 174.025 174.600 -0.742 0.000 1.162 338 S CA -0.720 57.064 58.200 -0.694 0.000 0.817 338 S CB 1.304 64.254 63.200 -0.417 0.000 1.141 338 S HN 0.695 nan 8.310 nan 0.000 0.477 339 H N 0.264 119.152 119.070 -0.304 0.000 2.469 339 H HA 0.417 4.974 4.556 0.000 0.000 0.286 339 H C 0.675 176.024 175.328 0.036 0.000 1.106 339 H CA -0.359 55.651 56.048 -0.064 0.000 1.055 339 H CB -0.618 29.218 29.762 0.124 0.000 1.618 339 H HN 0.676 nan 8.280 nan 0.000 0.559 340 N N 0.757 119.385 118.700 -0.121 0.000 2.396 340 N HA -0.124 4.617 4.740 0.001 0.000 0.180 340 N C 1.286 176.807 175.510 0.018 0.000 1.028 340 N CA 0.125 53.148 53.050 -0.046 0.000 0.893 340 N CB -0.074 38.356 38.487 -0.096 0.000 0.967 340 N HN 0.274 nan 8.380 nan 0.000 0.440 341 F N 0.829 120.675 119.950 -0.174 0.000 2.075 341 F HA -0.135 4.392 4.527 0.000 0.000 0.297 341 F C 1.613 177.268 175.800 -0.242 0.000 1.113 341 F CA 1.628 59.467 58.000 -0.268 0.000 1.218 341 F CB -0.497 38.186 39.000 -0.527 0.000 0.984 341 F HN -0.047 nan 8.300 nan 0.000 0.472 342 F N 0.711 120.755 119.950 0.157 0.000 2.259 342 F HA -0.098 4.430 4.527 0.001 0.000 0.298 342 F C 2.321 178.122 175.800 0.002 0.000 1.088 342 F CA 1.157 59.196 58.000 0.065 0.000 1.358 342 F CB -0.532 38.599 39.000 0.218 0.000 1.040 342 F HN 0.004 nan 8.300 nan 0.000 0.505 343 E N 0.406 120.792 120.200 0.310 0.000 2.058 343 E HA -0.225 4.125 4.350 0.001 0.000 0.194 343 E C 1.795 178.457 176.600 0.103 0.000 0.997 343 E CA 1.446 57.994 56.400 0.247 0.000 0.801 343 E CB -0.267 29.560 29.700 0.213 0.000 0.746 343 E HN 0.366 nan 8.360 nan 0.000 0.450 344 N N 0.779 119.543 118.700 0.107 0.000 2.142 344 N HA -0.129 4.612 4.740 0.001 0.000 0.186 344 N C 1.848 177.571 175.510 0.356 0.000 1.023 344 N CA 0.557 53.777 53.050 0.282 0.000 0.852 344 N CB -0.401 38.267 38.487 0.302 0.000 0.998 344 N HN 0.059 nan 8.380 nan 0.000 0.424 345 L N -0.002 121.211 121.223 -0.017 0.000 2.012 345 L HA -0.064 4.276 4.340 0.001 0.000 0.210 345 L C 1.642 178.461 176.870 -0.085 0.000 1.073 345 L CA 1.691 56.421 54.840 -0.184 0.000 0.748 345 L CB -0.601 41.061 42.059 -0.662 0.000 0.891 345 L HN 0.075 nan 8.230 nan 0.000 0.431 346 F N -1.545 118.384 119.950 -0.035 0.000 2.619 346 F HA 0.182 4.709 4.527 0.001 0.000 0.293 346 F C 2.232 177.968 175.800 -0.106 0.000 1.119 346 F CA 0.481 58.409 58.000 -0.119 0.000 1.445 346 F CB -0.384 38.416 39.000 -0.333 0.000 1.119 346 F HN 0.147 nan 8.300 nan 0.000 0.573 347 G N -1.313 107.492 108.800 0.009 0.000 2.712 347 G HA2 0.004 3.964 3.960 0.001 0.000 0.212 347 G HA3 0.004 3.964 3.960 0.001 0.000 0.212 347 G C -0.171 174.437 174.900 -0.487 0.000 1.142 347 G CA 0.319 45.279 45.100 -0.232 0.000 0.789 347 G HN 0.245 nan 8.290 nan 0.000 0.535 348 Y N -0.597 119.604 120.300 -0.165 0.000 2.602 348 Y HA 0.525 5.075 4.550 0.001 0.000 0.342 348 Y C -0.051 175.538 175.900 -0.518 0.000 1.029 348 Y CA -1.315 56.521 58.100 -0.440 0.000 1.080 348 Y CB 1.578 39.514 38.460 -0.875 0.000 1.284 348 Y HN -0.172 nan 8.280 nan 0.000 0.485 349 E N 0.746 120.771 120.200 -0.292 0.000 2.222 349 E HA 0.204 4.554 4.350 0.001 0.000 0.272 349 E C -1.628 174.723 176.600 -0.416 0.000 0.982 349 E CA -0.552 55.726 56.400 -0.205 0.000 0.842 349 E CB 1.558 31.252 29.700 -0.010 0.000 1.144 349 E HN 0.548 nan 8.360 nan 0.000 0.397 350 W N 0.733 122.137 121.300 0.174 0.000 2.666 350 W HA 0.355 5.016 4.660 0.001 0.000 0.334 350 W C 0.312 177.057 176.519 0.377 0.000 1.051 350 W CA -0.632 56.851 57.345 0.229 0.000 1.224 350 W CB 1.363 30.909 29.460 0.143 0.000 1.405 350 W HN 0.385 nan 8.180 nan 0.000 0.513 351 E N 2.416 122.979 120.200 0.606 0.000 2.210 351 E HA 0.393 4.744 4.350 0.001 0.000 0.266 351 E C -1.440 175.258 176.600 0.163 0.000 0.883 351 E CA -1.110 55.502 56.400 0.354 0.000 0.761 351 E CB 1.495 31.280 29.700 0.143 0.000 1.156 351 E HN 0.436 nan 8.360 nan 0.000 0.412 352 L N 3.982 125.040 121.223 -0.276 0.000 2.410 352 L HA 0.359 4.699 4.340 0.001 0.000 0.273 352 L C -0.254 176.385 176.870 -0.385 0.000 1.152 352 L CA 1.054 55.373 54.840 -0.867 0.000 0.855 352 L CB 1.128 42.602 42.059 -0.974 0.000 1.129 352 L HN 0.686 nan 8.230 nan 0.000 0.463 353 T N 4.045 118.390 114.554 -0.349 0.000 2.647 353 T HA 0.546 4.896 4.350 0.001 0.000 0.295 353 T C -1.270 173.343 174.700 -0.145 0.000 1.126 353 T CA -0.733 61.265 62.100 -0.170 0.000 1.040 353 T CB 1.057 69.866 68.868 -0.099 0.000 1.472 353 T HN 0.626 nan 8.240 nan 0.000 0.500 354 K N 1.111 121.442 120.400 -0.115 0.000 2.375 354 K HA 0.605 4.926 4.320 0.001 0.000 0.249 354 K C -0.397 176.135 176.600 -0.113 0.000 0.942 354 K CA -0.835 55.375 56.287 -0.129 0.000 0.806 354 K CB 2.006 34.417 32.500 -0.148 0.000 1.227 354 K HN 0.755 nan 8.250 nan 0.000 0.430 355 S N 0.747 116.375 115.700 -0.120 0.000 2.624 355 S HA 0.208 4.679 4.470 0.001 0.000 0.263 355 S C -1.832 172.698 174.600 -0.116 0.000 1.287 355 S CA -0.961 57.170 58.200 -0.115 0.000 0.990 355 S CB 0.686 63.817 63.200 -0.115 0.000 0.950 355 S HN 0.333 nan 8.310 nan 0.000 0.561 356 P HA -0.017 nan 4.420 nan 0.000 0.220 356 P C 0.867 178.076 177.300 -0.151 0.000 1.144 356 P CA 1.621 64.645 63.100 -0.127 0.000 0.800 356 P CB -0.199 31.417 31.700 -0.141 0.000 0.772 357 A N -1.456 121.275 122.820 -0.148 0.000 2.308 357 A HA 0.507 4.827 4.320 0.001 0.000 0.217 357 A C 1.576 179.085 177.584 -0.125 0.000 1.216 357 A CA 0.557 52.509 52.037 -0.141 0.000 0.864 357 A CB -0.915 18.008 19.000 -0.127 0.000 0.902 357 A HN 0.222 nan 8.150 nan 0.000 0.499 358 G N -1.595 107.124 108.800 -0.135 0.000 2.136 358 G HA2 0.086 4.047 3.960 0.001 0.000 0.242 358 G HA3 0.086 4.047 3.960 0.001 0.000 0.242 358 G C 0.381 175.150 174.900 -0.219 0.000 0.989 358 G CA 0.289 45.291 45.100 -0.162 0.000 0.682 358 G HN 1.570 nan 8.290 nan 0.000 0.522 359 A N 0.708 123.422 122.820 -0.176 0.000 2.354 359 A HA 0.614 4.934 4.320 0.001 0.000 0.269 359 A C 0.536 178.011 177.584 -0.181 0.000 1.109 359 A CA -0.453 51.484 52.037 -0.167 0.000 0.800 359 A CB 0.205 19.158 19.000 -0.077 0.000 1.045 359 A HN 0.438 nan 8.150 nan 0.000 0.489 360 H N 1.915 120.937 119.070 -0.079 0.000 2.929 360 H HA 0.246 4.802 4.556 0.001 0.000 0.317 360 H C 0.447 175.703 175.328 -0.119 0.000 1.031 360 H CA 0.922 56.887 56.048 -0.138 0.000 1.466 360 H CB 0.480 30.170 29.762 -0.121 0.000 1.482 360 H HN 0.811 nan 8.280 nan 0.000 0.561 361 Q N 1.992 121.737 119.800 -0.092 0.000 2.814 361 Q HA 0.464 4.804 4.340 0.001 0.000 0.322 361 Q C -1.600 174.263 176.000 -0.229 0.000 0.888 361 Q CA -1.107 54.673 55.803 -0.038 0.000 0.768 361 Q CB 1.864 30.599 28.738 -0.004 0.000 1.443 361 Q HN 0.391 nan 8.270 nan 0.000 0.497 362 W N 0.162 121.469 121.300 0.011 0.000 2.936 362 W HA 0.730 5.390 4.660 0.000 0.000 0.338 362 W C -1.182 175.445 176.519 0.179 0.000 1.121 362 W CA -0.747 56.655 57.345 0.095 0.000 1.209 362 W CB 2.190 31.695 29.460 0.075 0.000 1.420 362 W HN 0.497 nan 8.180 nan 0.000 0.516 363 V N 2.389 122.589 119.914 0.477 0.000 2.823 363 V HA 0.838 4.958 4.120 0.001 0.000 0.312 363 V C -0.434 175.806 176.094 0.243 0.000 1.072 363 V CA -1.131 61.368 62.300 0.331 0.000 0.937 363 V CB 1.604 33.489 31.823 0.102 0.000 1.013 363 V HN 0.696 nan 8.190 nan 0.000 0.430 364 A N 5.697 128.429 122.820 -0.148 0.000 2.492 364 A HA 0.390 4.710 4.320 0.001 0.000 0.254 364 A C 0.225 177.562 177.584 -0.412 0.000 1.091 364 A CA -0.041 51.517 52.037 -0.797 0.000 0.768 364 A CB -0.196 17.965 19.000 -1.398 0.000 1.028 364 A HN 0.829 nan 8.150 nan 0.000 0.498 365 K N 1.677 121.897 120.400 -0.300 0.000 2.368 365 K HA 0.372 4.692 4.320 0.001 0.000 0.282 365 K C 1.158 177.703 176.600 -0.091 0.000 1.035 365 K CA 0.824 57.035 56.287 -0.126 0.000 0.973 365 K CB 0.558 33.019 32.500 -0.064 0.000 0.957 365 K HN 1.330 nan 8.250 nan 0.000 0.474 366 G N 1.530 110.293 108.800 -0.061 0.000 2.168 366 G HA2 -0.328 3.632 3.960 0.001 0.000 0.257 366 G HA3 -0.328 3.632 3.960 0.001 0.000 0.257 366 G C 0.185 175.079 174.900 -0.010 0.000 0.997 366 G CA 0.357 45.442 45.100 -0.025 0.000 0.708 366 G HN 0.797 nan 8.290 nan 0.000 0.520 367 A N -0.272 122.503 122.820 -0.075 0.000 2.340 367 A HA 0.600 4.920 4.320 0.001 0.000 0.268 367 A C 0.361 177.918 177.584 -0.045 0.000 1.100 367 A CA -0.180 51.817 52.037 -0.067 0.000 0.803 367 A CB 0.545 19.290 19.000 -0.424 0.000 1.043 367 A HN 0.251 nan 8.150 nan 0.000 0.488 368 D N 0.794 121.197 120.400 0.005 0.000 2.344 368 D HA 0.381 5.021 4.640 0.001 0.000 0.244 368 D C 0.451 176.737 176.300 -0.022 0.000 1.134 368 D CA 0.524 54.522 54.000 -0.003 0.000 0.930 368 D CB 0.991 41.802 40.800 0.018 0.000 1.175 368 D HN 0.615 nan 8.370 nan 0.000 0.437 369 A N 1.294 124.099 122.820 -0.026 0.000 2.785 369 A HA 0.233 4.553 4.320 0.001 0.000 0.294 369 A C 1.146 178.718 177.584 -0.020 0.000 1.597 369 A CA -0.316 51.701 52.037 -0.033 0.000 1.283 369 A CB -0.763 18.200 19.000 -0.062 0.000 1.088 369 A HN 0.411 nan 8.150 nan 0.000 0.568 370 V N 0.625 120.540 119.914 0.000 0.000 3.645 370 V HA 0.327 4.447 4.120 0.001 0.000 0.275 370 V C 0.459 176.567 176.094 0.025 0.000 1.356 370 V CA -0.030 62.279 62.300 0.016 0.000 1.051 370 V CB -0.368 31.480 31.823 0.042 0.000 0.828 370 V HN 0.534 nan 8.190 nan 0.000 0.441 371 I N 4.271 124.866 120.570 0.042 0.000 2.342 371 I HA 0.450 4.620 4.170 0.001 0.000 0.291 371 I C -2.357 173.833 176.117 0.121 0.000 1.010 371 I CA -2.408 58.935 61.300 0.072 0.000 1.308 371 I CB 1.214 39.269 38.000 0.091 0.000 1.400 371 I HN 0.147 nan 8.210 nan 0.000 0.488 372 P HA 0.095 nan 4.420 nan 0.000 0.272 372 P C -0.591 176.937 177.300 0.380 0.000 1.223 372 P CA -0.256 62.961 63.100 0.195 0.000 0.784 372 P CB 1.008 32.814 31.700 0.177 0.000 0.923 373 D N 0.762 121.320 120.400 0.263 0.000 2.341 373 D HA 0.273 4.913 4.640 0.001 0.000 0.245 373 D C 1.373 177.641 176.300 -0.052 0.000 1.106 373 D CA -0.243 53.899 54.000 0.236 0.000 0.905 373 D CB 0.731 41.635 40.800 0.172 0.000 1.202 373 D HN 0.296 nan 8.370 nan 0.000 0.426 374 A N 2.563 125.104 122.820 -0.466 0.000 2.015 374 A HA -0.028 4.292 4.320 0.001 0.000 0.219 374 A C 1.174 178.039 177.584 -1.200 0.000 1.163 374 A CA 1.024 52.218 52.037 -1.405 0.000 0.646 374 A CB -0.342 17.944 19.000 -1.190 0.000 0.806 374 A HN 0.657 nan 8.150 nan 0.000 0.448 375 F N -1.990 117.809 119.950 -0.251 0.000 2.876 375 F HA 0.253 4.780 4.527 0.001 0.000 0.344 375 F C 0.035 175.784 175.800 -0.085 0.000 1.029 375 F CA -0.570 57.333 58.000 -0.161 0.000 1.154 375 F CB 0.793 39.694 39.000 -0.166 0.000 1.040 375 F HN 0.013 nan 8.300 nan 0.000 0.576 376 D N 2.264 122.715 120.400 0.085 0.000 2.453 376 D HA 0.262 4.902 4.640 0.001 0.000 0.238 376 D C -1.953 174.359 176.300 0.021 0.000 1.088 376 D CA -2.439 51.592 54.000 0.051 0.000 0.854 376 D CB 1.863 42.692 40.800 0.048 0.000 1.076 376 D HN -0.092 nan 8.370 nan 0.000 0.533 377 P HA -0.083 nan 4.420 nan 0.000 0.230 377 P C 0.917 178.215 177.300 -0.004 0.000 1.158 377 P CA 0.568 63.673 63.100 0.009 0.000 0.769 377 P CB 0.231 31.937 31.700 0.009 0.000 0.807 378 S N -2.075 113.619 115.700 -0.011 0.000 2.535 378 S HA 0.140 4.610 4.470 0.001 0.000 0.214 378 S C 0.720 175.291 174.600 -0.049 0.000 0.980 378 S CA -0.286 57.900 58.200 -0.024 0.000 0.907 378 S CB -0.368 62.820 63.200 -0.019 0.000 0.790 378 S HN 0.072 nan 8.310 nan 0.000 0.510 379 K N 1.009 121.369 120.400 -0.066 0.000 2.156 379 K HA 0.596 4.916 4.320 0.001 0.000 0.254 379 K C -0.689 175.772 176.600 -0.232 0.000 0.950 379 K CA -0.605 55.589 56.287 -0.155 0.000 0.849 379 K CB 1.606 34.010 32.500 -0.160 0.000 1.100 379 K HN 0.082 nan 8.250 nan 0.000 0.434 380 K N 1.229 121.415 120.400 -0.358 0.000 2.480 380 K HA 0.449 4.769 4.320 0.001 0.000 0.258 380 K C -1.009 175.265 176.600 -0.543 0.000 0.990 380 K CA -0.980 55.101 56.287 -0.343 0.000 0.857 380 K CB 1.930 34.352 32.500 -0.130 0.000 1.384 380 K HN 0.572 nan 8.250 nan 0.000 0.446 381 H N 0.594 119.660 119.070 -0.006 0.000 2.946 381 H HA 0.358 4.914 4.556 0.001 0.000 0.365 381 H C -0.499 174.803 175.328 -0.042 0.000 1.197 381 H CA -0.875 55.159 56.048 -0.024 0.000 1.131 381 H CB 1.655 31.403 29.762 -0.025 0.000 1.849 381 H HN 0.310 nan 8.280 nan 0.000 0.555 382 R N 0.999 121.543 120.500 0.074 0.000 2.582 382 R HA 0.220 4.560 4.340 0.001 0.000 0.271 382 R C -2.295 173.981 176.300 -0.041 0.000 1.078 382 R CA -1.472 54.605 56.100 -0.039 0.000 1.127 382 R CB 0.081 30.332 30.300 -0.081 0.000 1.038 382 R HN 0.296 nan 8.270 nan 0.000 0.500 383 P HA -0.004 nan 4.420 nan 0.000 0.265 383 P C -0.847 176.526 177.300 0.122 0.000 1.193 383 P CA 0.230 63.311 63.100 -0.031 0.000 0.765 383 P CB 0.812 32.433 31.700 -0.132 0.000 0.823 384 T N 0.042 114.666 114.554 0.116 0.000 2.901 384 T HA 0.849 5.200 4.350 0.001 0.000 0.293 384 T C -0.531 174.102 174.700 -0.112 0.000 1.084 384 T CA -0.847 61.315 62.100 0.103 0.000 1.008 384 T CB 1.280 70.110 68.868 -0.064 0.000 1.170 384 T HN 0.134 nan 8.240 nan 0.000 0.509 385 M N 1.138 120.639 119.600 -0.165 0.000 2.622 385 M HA 0.460 4.940 4.480 0.001 0.000 0.276 385 M C -1.347 174.963 176.300 0.017 0.000 1.265 385 M CA -0.681 54.478 55.300 -0.236 0.000 0.850 385 M CB 2.297 34.433 32.600 -0.773 0.000 1.720 385 M HN 0.650 nan 8.290 nan 0.000 0.465 386 L N 0.520 121.818 121.223 0.125 0.000 2.399 386 L HA 0.371 4.711 4.340 0.001 0.000 0.266 386 L C 1.476 178.442 176.870 0.160 0.000 1.114 386 L CA -0.267 54.709 54.840 0.226 0.000 0.804 386 L CB 0.945 43.176 42.059 0.287 0.000 1.146 386 L HN 0.788 nan 8.230 nan 0.000 0.451 387 T N -0.631 114.113 114.554 0.317 0.000 2.721 387 T HA -0.204 4.146 4.350 0.001 0.000 0.268 387 T C 1.715 176.439 174.700 0.040 0.000 1.038 387 T CA 2.259 64.480 62.100 0.201 0.000 1.145 387 T CB -0.263 68.827 68.868 0.370 0.000 0.858 387 T HN 0.912 nan 8.240 nan 0.000 0.459 388 T N 0.120 114.744 114.554 0.118 0.000 3.023 388 T HA -0.041 4.309 4.350 0.001 0.000 0.266 388 T C 1.444 176.178 174.700 0.056 0.000 1.093 388 T CA 0.771 62.933 62.100 0.103 0.000 1.129 388 T CB -0.166 68.797 68.868 0.159 0.000 0.899 388 T HN 0.259 nan 8.240 nan 0.000 0.491 389 D N 1.742 122.188 120.400 0.077 0.000 2.123 389 D HA 0.057 4.697 4.640 0.001 0.000 0.200 389 D C 2.130 178.357 176.300 -0.122 0.000 0.976 389 D CA 0.708 54.750 54.000 0.069 0.000 0.831 389 D CB -0.206 40.690 40.800 0.159 0.000 0.974 389 D HN 0.367 nan 8.370 nan 0.000 0.469 390 L N 0.983 122.051 121.223 -0.259 0.000 2.191 390 L HA -0.115 4.225 4.340 0.001 0.000 0.212 390 L C 2.391 179.232 176.870 -0.048 0.000 1.103 390 L CA 0.514 55.183 54.840 -0.285 0.000 0.769 390 L CB -0.404 41.360 42.059 -0.493 0.000 0.908 390 L HN -0.075 nan 8.230 nan 0.000 0.438 391 S N 0.482 116.179 115.700 -0.006 0.000 2.402 391 S HA -0.176 4.294 4.470 0.001 0.000 0.233 391 S C 1.915 176.584 174.600 0.115 0.000 1.030 391 S CA 1.248 59.506 58.200 0.096 0.000 1.003 391 S CB -0.297 62.972 63.200 0.114 0.000 0.813 391 S HN 0.386 nan 8.310 nan 0.000 0.477 392 L N 0.446 121.661 121.223 -0.014 0.000 2.275 392 L HA 0.003 4.343 4.340 0.001 0.000 0.215 392 L C 2.589 179.431 176.870 -0.047 0.000 1.119 392 L CA 0.979 55.803 54.840 -0.025 0.000 0.790 392 L CB -0.341 41.692 42.059 -0.043 0.000 0.919 392 L HN 0.274 nan 8.230 nan 0.000 0.443 393 R N -0.305 120.042 120.500 -0.256 0.000 2.146 393 R HA 0.016 4.356 4.340 0.001 0.000 0.206 393 R C 1.849 177.860 176.300 -0.482 0.000 1.049 393 R CA 0.628 56.425 56.100 -0.505 0.000 1.029 393 R CB 0.072 29.779 30.300 -0.989 0.000 0.949 393 R HN 0.153 nan 8.270 nan 0.000 0.471 394 F N 0.846 120.776 119.950 -0.034 0.000 2.746 394 F HA 0.179 4.706 4.527 0.000 0.000 0.297 394 F C 0.657 176.458 175.800 0.001 0.000 1.113 394 F CA -0.324 57.664 58.000 -0.020 0.000 1.367 394 F CB 0.319 39.278 39.000 -0.069 0.000 1.111 394 F HN -0.008 nan 8.300 nan 0.000 0.590 395 D N 1.924 122.411 120.400 0.146 0.000 2.348 395 D HA 0.051 4.691 4.640 0.001 0.000 0.253 395 D C -1.940 174.371 176.300 0.018 0.000 1.161 395 D CA -1.652 52.380 54.000 0.053 0.000 0.876 395 D CB 1.849 42.643 40.800 -0.011 0.000 1.160 395 D HN -0.018 nan 8.370 nan 0.000 0.459 396 P HA -0.104 nan 4.420 nan 0.000 0.216 396 P C 0.987 178.267 177.300 -0.034 0.000 1.153 396 P CA 1.283 64.377 63.100 -0.009 0.000 0.848 396 P CB 0.159 31.852 31.700 -0.013 0.000 0.787 397 A N -1.355 121.409 122.820 -0.093 0.000 1.873 397 A HA -0.204 4.117 4.320 0.001 0.000 0.215 397 A C 2.223 179.792 177.584 -0.026 0.000 1.186 397 A CA 1.373 53.348 52.037 -0.102 0.000 0.616 397 A CB -1.895 16.997 19.000 -0.179 0.000 0.823 397 A HN 0.192 nan 8.150 nan 0.000 0.442 398 Y N -0.664 119.609 120.300 -0.046 0.000 2.242 398 Y HA -0.184 4.366 4.550 0.001 0.000 0.291 398 Y C 2.682 178.548 175.900 -0.057 0.000 1.137 398 Y CA 0.838 58.902 58.100 -0.061 0.000 1.181 398 Y CB 0.025 38.455 38.460 -0.051 0.000 0.989 398 Y HN 0.371 nan 8.280 nan 0.000 0.527 399 E N 1.429 121.702 120.200 0.122 0.000 2.085 399 E HA -0.231 4.119 4.350 0.001 0.000 0.194 399 E C 1.732 178.351 176.600 0.031 0.000 0.994 399 E CA 1.371 57.831 56.400 0.099 0.000 0.801 399 E CB -0.031 29.708 29.700 0.066 0.000 0.743 399 E HN 0.497 nan 8.360 nan 0.000 0.453 400 K N -0.016 120.370 120.400 -0.023 0.000 2.057 400 K HA -0.113 4.208 4.320 0.001 0.000 0.207 400 K C 2.384 178.887 176.600 -0.161 0.000 1.049 400 K CA 1.404 57.641 56.287 -0.084 0.000 0.931 400 K CB -0.147 32.310 32.500 -0.071 0.000 0.714 400 K HN 0.189 nan 8.250 nan 0.000 0.440 401 I N 0.785 121.245 120.570 -0.184 0.000 2.163 401 I HA -0.262 3.908 4.170 0.001 0.000 0.240 401 I C 2.289 178.054 176.117 -0.587 0.000 1.081 401 I CA 1.028 62.074 61.300 -0.424 0.000 1.353 401 I CB -0.299 37.474 38.000 -0.378 0.000 1.054 401 I HN 0.032 nan 8.210 nan 0.000 0.407 402 S N 0.599 116.112 115.700 -0.311 0.000 2.380 402 S HA -0.202 4.268 4.470 0.001 0.000 0.229 402 S C 2.116 176.484 174.600 -0.386 0.000 1.043 402 S CA 1.284 59.276 58.200 -0.347 0.000 1.038 402 S CB -0.326 62.962 63.200 0.146 0.000 0.872 402 S HN 0.323 nan 8.310 nan 0.000 0.456 403 R N 0.835 121.184 120.500 -0.251 0.000 2.073 403 R HA -0.004 4.337 4.340 0.001 0.000 0.234 403 R C 2.533 178.673 176.300 -0.267 0.000 1.134 403 R CA 1.208 57.065 56.100 -0.406 0.000 0.952 403 R CB -0.580 29.496 30.300 -0.373 0.000 0.850 403 R HN 0.401 nan 8.270 nan 0.000 0.433 404 R N 0.135 120.485 120.500 -0.249 0.000 2.083 404 R HA -0.102 4.238 4.340 0.001 0.000 0.237 404 R C 2.292 178.574 176.300 -0.030 0.000 1.137 404 R CA 1.580 57.585 56.100 -0.158 0.000 0.951 404 R CB -0.350 29.835 30.300 -0.192 0.000 0.851 404 R HN 0.206 nan 8.270 nan 0.000 0.434 405 F N -0.985 118.809 119.950 -0.260 0.000 2.234 405 F HA -0.217 4.311 4.527 0.001 0.000 0.299 405 F C 2.492 178.109 175.800 -0.304 0.000 1.087 405 F CA 0.751 58.580 58.000 -0.285 0.000 1.340 405 F CB -0.219 38.448 39.000 -0.555 0.000 1.031 405 F HN 0.323 nan 8.300 nan 0.000 0.500 406 H N 0.753 119.605 119.070 -0.363 0.000 2.321 406 H HA -0.137 4.419 4.556 0.000 0.000 0.300 406 H C 1.813 177.081 175.328 -0.100 0.000 1.087 406 H CA 2.086 58.028 56.048 -0.177 0.000 1.319 406 H CB -0.184 29.456 29.762 -0.203 0.000 1.379 406 H HN 0.237 nan 8.280 nan 0.000 0.501 407 E N -0.529 119.548 120.200 -0.205 0.000 2.216 407 E HA 0.001 4.351 4.350 0.001 0.000 0.192 407 E C -0.043 176.472 176.600 -0.141 0.000 0.988 407 E CA 0.501 56.760 56.400 -0.236 0.000 0.834 407 E CB 0.303 29.901 29.700 -0.169 0.000 0.772 407 E HN 0.459 nan 8.360 nan 0.000 0.479 408 N N 0.882 119.554 118.700 -0.047 0.000 2.844 408 N HA 0.121 4.861 4.740 0.001 0.000 0.268 408 N C -2.382 173.186 175.510 0.098 0.000 1.574 408 N CA -0.982 52.081 53.050 0.021 0.000 0.838 408 N CB 1.414 39.945 38.487 0.073 0.000 1.177 408 N HN -0.036 nan 8.380 nan 0.000 0.495 409 P HA -0.179 nan 4.420 nan 0.000 0.221 409 P C 1.584 179.038 177.300 0.257 0.000 1.145 409 P CA 1.160 64.359 63.100 0.165 0.000 0.795 409 P CB 0.379 32.006 31.700 -0.122 0.000 0.775 410 E N 0.482 120.778 120.200 0.159 0.000 2.152 410 E HA -0.202 4.149 4.350 0.001 0.000 0.192 410 E C 1.647 178.336 176.600 0.148 0.000 0.983 410 E CA 1.228 57.718 56.400 0.149 0.000 0.818 410 E CB -0.862 28.894 29.700 0.094 0.000 0.758 410 E HN 0.341 nan 8.360 nan 0.000 0.467 411 Q N -0.397 119.507 119.800 0.174 0.000 2.079 411 Q HA -0.089 4.251 4.340 0.001 0.000 0.200 411 Q C 2.060 178.131 176.000 0.118 0.000 0.974 411 Q CA 1.447 57.372 55.803 0.203 0.000 0.840 411 Q CB -0.350 28.569 28.738 0.302 0.000 0.898 411 Q HN 0.265 nan 8.270 nan 0.000 0.430 412 F N 1.598 121.440 119.950 -0.179 0.000 2.069 412 F HA -0.205 4.322 4.527 0.001 0.000 0.298 412 F C 2.159 177.939 175.800 -0.033 0.000 1.113 412 F CA 1.438 59.086 58.000 -0.585 0.000 1.214 412 F CB -0.855 38.036 39.000 -0.182 0.000 0.978 412 F HN 0.004 nan 8.300 nan 0.000 0.474 413 A N -0.226 122.665 122.820 0.119 0.000 1.908 413 A HA -0.276 4.044 4.320 0.001 0.000 0.218 413 A C 1.983 179.610 177.584 0.071 0.000 1.181 413 A CA 2.165 54.285 52.037 0.138 0.000 0.627 413 A CB -1.371 17.740 19.000 0.186 0.000 0.818 413 A HN 0.531 nan 8.150 nan 0.000 0.445 414 D N -0.648 119.785 120.400 0.055 0.000 2.117 414 D HA 0.025 4.666 4.640 0.001 0.000 0.198 414 D C 2.009 178.357 176.300 0.079 0.000 0.982 414 D CA 1.489 55.521 54.000 0.054 0.000 0.828 414 D CB -0.181 40.663 40.800 0.074 0.000 0.967 414 D HN 0.336 nan 8.370 nan 0.000 0.464 415 A N -0.407 122.472 122.820 0.098 0.000 1.930 415 A HA -0.085 4.236 4.320 0.001 0.000 0.217 415 A C 2.212 179.921 177.584 0.209 0.000 1.175 415 A CA 1.006 53.137 52.037 0.158 0.000 0.627 415 A CB -1.178 17.962 19.000 0.234 0.000 0.815 415 A HN 0.495 nan 8.150 nan 0.000 0.443 416 F N 0.635 120.590 119.950 0.007 0.000 2.146 416 F HA -0.018 4.509 4.527 0.000 0.000 0.298 416 F C 2.539 178.442 175.800 0.170 0.000 1.096 416 F CA 1.031 59.044 58.000 0.020 0.000 1.275 416 F CB -0.092 38.762 39.000 -0.243 0.000 1.008 416 F HN 0.288 nan 8.300 nan 0.000 0.480 417 A N 1.114 124.005 122.820 0.118 0.000 1.892 417 A HA -0.247 4.073 4.320 0.001 0.000 0.218 417 A C 2.206 179.831 177.584 0.069 0.000 1.188 417 A CA 2.046 54.152 52.037 0.115 0.000 0.631 417 A CB -0.820 18.218 19.000 0.063 0.000 0.822 417 A HN 0.479 nan 8.150 nan 0.000 0.447 418 R N -0.763 119.685 120.500 -0.087 0.000 2.075 418 R HA -0.010 4.331 4.340 0.001 0.000 0.232 418 R C 2.523 178.815 176.300 -0.013 0.000 1.126 418 R CA 1.165 57.092 56.100 -0.289 0.000 0.963 418 R CB -0.476 29.643 30.300 -0.300 0.000 0.858 418 R HN 0.510 nan 8.270 nan 0.000 0.435 419 A N 1.100 123.965 122.820 0.075 0.000 1.933 419 A HA -0.195 4.126 4.320 0.001 0.000 0.218 419 A C 1.891 179.538 177.584 0.105 0.000 1.175 419 A CA 1.016 53.115 52.037 0.104 0.000 0.628 419 A CB -0.908 18.221 19.000 0.214 0.000 0.814 419 A HN 0.629 nan 8.150 nan 0.000 0.444 420 W N -0.376 120.883 121.300 -0.068 0.000 2.381 420 W HA -0.209 4.451 4.660 0.000 0.000 0.301 420 W C 1.837 178.382 176.519 0.044 0.000 1.205 420 W CA 1.714 59.005 57.345 -0.089 0.000 1.285 420 W CB -0.446 28.791 29.460 -0.372 0.000 1.133 420 W HN 0.405 nan 8.180 nan 0.000 0.521 421 F N 2.119 122.101 119.950 0.054 0.000 2.075 421 F HA -0.174 4.353 4.527 0.001 0.000 0.297 421 F C 2.677 178.462 175.800 -0.025 0.000 1.113 421 F CA 2.854 60.892 58.000 0.063 0.000 1.218 421 F CB -0.906 38.203 39.000 0.183 0.000 0.984 421 F HN -0.238 nan 8.300 nan 0.000 0.472 422 K N 0.330 120.638 120.400 -0.152 0.000 2.034 422 K HA -0.278 4.043 4.320 0.001 0.000 0.214 422 K C 2.193 178.347 176.600 -0.744 0.000 1.051 422 K CA 2.087 57.899 56.287 -0.792 0.000 0.931 422 K CB -0.731 31.247 32.500 -0.871 0.000 0.715 422 K HN 0.397 nan 8.250 nan 0.000 0.446 423 L N 1.213 122.143 121.223 -0.488 0.000 2.013 423 L HA -0.190 4.151 4.340 0.001 0.000 0.212 423 L C 2.152 178.698 176.870 -0.539 0.000 1.073 423 L CA 2.695 57.267 54.840 -0.447 0.000 0.753 423 L CB -0.887 40.965 42.059 -0.346 0.000 0.890 423 L HN 0.490 nan 8.230 nan 0.000 0.432 424 T N -5.305 108.881 114.554 -0.613 0.000 3.100 424 T HA 0.029 4.379 4.350 0.001 0.000 0.253 424 T C 1.021 175.254 174.700 -0.779 0.000 1.118 424 T CA 0.953 62.661 62.100 -0.652 0.000 1.058 424 T CB -0.448 67.993 68.868 -0.712 0.000 0.953 424 T HN 0.538 nan 8.240 nan 0.000 0.515 425 H N 0.154 118.816 119.070 -0.680 0.000 3.233 425 H HA 0.339 4.895 4.556 0.001 0.000 0.263 425 H C 2.111 177.210 175.328 -0.382 0.000 1.168 425 H CA -0.327 55.364 56.048 -0.595 0.000 1.159 425 H CB 0.307 29.560 29.762 -0.849 0.000 1.593 425 H HN 0.328 nan 8.280 nan 0.000 0.580 426 R N 0.970 121.166 120.500 -0.508 0.000 2.193 426 R HA -0.082 4.258 4.340 0.001 0.000 0.229 426 R C 0.122 176.187 176.300 -0.392 0.000 1.110 426 R CA 1.757 57.539 56.100 -0.530 0.000 0.988 426 R CB -0.119 29.684 30.300 -0.828 0.000 0.871 426 R HN 0.291 nan 8.270 nan 0.000 0.458 427 D N -0.196 119.958 120.400 -0.410 0.000 2.395 427 D HA 0.026 4.666 4.640 0.001 0.000 0.213 427 D C 1.428 177.650 176.300 -0.130 0.000 1.110 427 D CA -0.109 53.746 54.000 -0.242 0.000 0.835 427 D CB 0.075 40.739 40.800 -0.226 0.000 0.965 427 D HN 0.228 nan 8.370 nan 0.000 0.505 428 M N 0.332 119.868 119.600 -0.106 0.000 2.514 428 M HA 0.210 4.690 4.480 0.001 0.000 0.258 428 M C 0.904 177.182 176.300 -0.038 0.000 1.119 428 M CA 0.919 56.169 55.300 -0.084 0.000 1.111 428 M CB 0.252 32.798 32.600 -0.090 0.000 1.390 428 M HN 0.300 nan 8.290 nan 0.000 0.475 429 G N 0.700 109.512 108.800 0.019 0.000 2.627 429 G HA2 -0.148 3.812 3.960 0.001 0.000 0.214 429 G HA3 -0.148 3.812 3.960 0.001 0.000 0.214 429 G C -2.945 171.941 174.900 -0.024 0.000 1.331 429 G CA -1.305 43.773 45.100 -0.037 0.000 0.891 429 G HN 0.108 nan 8.290 nan 0.000 0.539 430 P HA 0.243 nan 4.420 nan 0.000 0.267 430 P C 1.020 178.139 177.300 -0.302 0.000 1.200 430 P CA -0.007 63.024 63.100 -0.115 0.000 0.772 430 P CB 0.278 32.002 31.700 0.040 0.000 0.855 431 R N 2.451 122.647 120.500 -0.508 0.000 2.200 431 R HA -0.153 4.188 4.340 0.001 0.000 0.234 431 R C 1.930 177.966 176.300 -0.439 0.000 1.127 431 R CA 1.460 57.019 56.100 -0.902 0.000 0.989 431 R CB -0.821 29.078 30.300 -0.667 0.000 0.869 431 R HN 0.505 nan 8.270 nan 0.000 0.459 432 A N 1.444 124.141 122.820 -0.205 0.000 2.024 432 A HA -0.168 4.153 4.320 0.001 0.000 0.220 432 A C 1.860 179.428 177.584 -0.026 0.000 1.164 432 A CA 1.140 53.136 52.037 -0.067 0.000 0.643 432 A CB -0.289 18.724 19.000 0.022 0.000 0.806 432 A HN 0.255 nan 8.150 nan 0.000 0.451 433 R N -1.826 118.634 120.500 -0.067 0.000 2.299 433 R HA 0.040 4.380 4.340 0.001 0.000 0.197 433 R C -0.513 175.858 176.300 0.117 0.000 0.971 433 R CA -0.020 56.058 56.100 -0.036 0.000 1.030 433 R CB -0.062 30.113 30.300 -0.210 0.000 0.932 433 R HN 0.482 nan 8.270 nan 0.000 0.477 434 Y N 1.388 121.634 120.300 -0.090 0.000 2.359 434 Y HA 0.239 4.790 4.550 0.000 0.000 0.334 434 Y C 0.511 176.376 175.900 -0.058 0.000 1.058 434 Y CA -0.771 57.282 58.100 -0.078 0.000 1.244 434 Y CB 0.356 38.800 38.460 -0.028 0.000 1.187 434 Y HN -0.136 nan 8.280 nan 0.000 0.510 435 L N 2.279 123.526 121.223 0.039 0.000 2.333 435 L HA 0.898 5.238 4.340 0.001 0.000 0.269 435 L C 0.544 177.557 176.870 0.238 0.000 1.010 435 L CA -0.882 54.016 54.840 0.097 0.000 0.818 435 L CB 1.975 44.061 42.059 0.046 0.000 1.306 435 L HN 0.792 nan 8.230 nan 0.000 0.430 436 G N 1.776 110.752 108.800 0.294 0.000 2.631 436 G HA2 -0.114 3.847 3.960 0.001 0.000 0.504 436 G HA3 -0.114 3.847 3.960 0.001 0.000 0.504 436 G C -2.495 172.506 174.900 0.169 0.000 1.306 436 G CA -0.322 44.963 45.100 0.309 0.000 0.897 436 G HN 0.517 nan 8.290 nan 0.000 0.520 437 P HA 0.203 nan 4.420 nan 0.000 0.249 437 P C 0.604 177.940 177.300 0.061 0.000 1.229 437 P CA 0.896 64.034 63.100 0.064 0.000 0.788 437 P CB 0.315 32.030 31.700 0.024 0.000 1.072 438 E N -0.299 119.973 120.200 0.120 0.000 2.558 438 E HA 0.150 4.500 4.350 0.001 0.000 0.205 438 E C -0.301 176.333 176.600 0.057 0.000 1.006 438 E CA -0.251 56.205 56.400 0.094 0.000 0.961 438 E CB 0.878 30.691 29.700 0.188 0.000 1.044 438 E HN 0.001 nan 8.360 nan 0.000 0.465 439 V N 4.197 124.144 119.914 0.054 0.000 2.479 439 V HA 0.068 4.188 4.120 0.001 0.000 0.281 439 V C -1.868 174.178 176.094 -0.081 0.000 1.031 439 V CA -1.288 61.041 62.300 0.049 0.000 1.038 439 V CB -0.058 31.846 31.823 0.135 0.000 0.981 439 V HN 0.115 nan 8.190 nan 0.000 0.478 440 P HA 0.176 nan 4.420 nan 0.000 0.268 440 P C 0.439 177.611 177.300 -0.213 0.000 1.205 440 P CA -0.154 62.709 63.100 -0.395 0.000 0.771 440 P CB 1.056 32.285 31.700 -0.785 0.000 0.858 441 A N 2.509 125.204 122.820 -0.209 0.000 1.970 441 A HA -0.094 4.226 4.320 0.001 0.000 0.216 441 A C 1.077 178.595 177.584 -0.110 0.000 1.170 441 A CA 0.561 52.520 52.037 -0.130 0.000 0.645 441 A CB -0.729 18.202 19.000 -0.115 0.000 0.816 441 A HN 0.665 nan 8.150 nan 0.000 0.447 442 E N 0.708 120.836 120.200 -0.120 0.000 2.417 442 E HA 0.261 4.611 4.350 0.001 0.000 0.261 442 E C -1.090 175.492 176.600 -0.030 0.000 1.000 442 E CA -0.273 56.105 56.400 -0.036 0.000 0.919 442 E CB 0.521 30.262 29.700 0.069 0.000 0.955 442 E HN 0.137 nan 8.360 nan 0.000 0.455 443 V N 6.748 126.627 119.914 -0.058 0.000 2.461 443 V HA 0.212 4.332 4.120 0.001 0.000 0.275 443 V C 0.250 176.269 176.094 -0.126 0.000 1.047 443 V CA -0.308 61.926 62.300 -0.111 0.000 0.955 443 V CB 0.796 32.554 31.823 -0.108 0.000 0.988 443 V HN 0.564 nan 8.190 nan 0.000 0.471 444 L N 4.527 125.596 121.223 -0.256 0.000 2.334 444 L HA 0.392 4.732 4.340 0.001 0.000 0.273 444 L C 0.929 177.565 176.870 -0.390 0.000 1.013 444 L CA -0.650 53.987 54.840 -0.339 0.000 0.816 444 L CB 1.577 43.281 42.059 -0.592 0.000 1.278 444 L HN 0.480 nan 8.230 nan 0.000 0.431 445 L N 3.151 124.264 121.223 -0.183 0.000 2.083 445 L HA -0.153 4.187 4.340 0.001 0.000 0.209 445 L C 2.093 178.951 176.870 -0.020 0.000 1.083 445 L CA 1.795 56.597 54.840 -0.063 0.000 0.752 445 L CB -0.599 41.486 42.059 0.043 0.000 0.899 445 L HN 0.776 nan 8.230 nan 0.000 0.433 446 W N -0.924 120.409 121.300 0.054 0.000 2.538 446 W HA -0.160 4.501 4.660 0.000 0.000 0.254 446 W C 1.318 177.865 176.519 0.047 0.000 1.249 446 W CA 0.369 57.745 57.345 0.053 0.000 1.253 446 W CB -1.226 28.265 29.460 0.051 0.000 1.130 446 W HN 0.357 nan 8.180 nan 0.000 0.618 447 Q N 0.982 120.565 119.800 -0.362 0.000 2.482 447 Q HA -0.063 4.277 4.340 0.001 0.000 0.209 447 Q C -0.259 175.679 176.000 -0.102 0.000 0.961 447 Q CA 0.516 56.141 55.803 -0.297 0.000 0.945 447 Q CB -0.434 27.973 28.738 -0.552 0.000 1.012 447 Q HN 0.073 nan 8.270 nan 0.000 0.515 448 D N 1.430 121.810 120.400 -0.034 0.000 2.740 448 D HA -0.139 4.502 4.640 0.001 0.000 0.231 448 D C -2.410 173.864 176.300 -0.043 0.000 1.194 448 D CA 0.542 54.539 54.000 -0.006 0.000 0.673 448 D CB -0.693 40.130 40.800 0.039 0.000 0.995 448 D HN 0.312 nan 8.370 nan 0.000 0.411 449 P HA 0.154 nan 4.420 nan 0.000 0.271 449 P C 0.186 177.450 177.300 -0.060 0.000 1.218 449 P CA -0.242 62.802 63.100 -0.093 0.000 0.780 449 P CB 1.036 32.668 31.700 -0.114 0.000 0.901 450 I N 3.053 123.587 120.570 -0.061 0.000 2.436 450 I HA 0.284 4.455 4.170 0.001 0.000 0.289 450 I C -2.131 173.957 176.117 -0.048 0.000 1.010 450 I CA -2.525 58.749 61.300 -0.043 0.000 1.098 450 I CB 1.345 39.326 38.000 -0.033 0.000 1.266 450 I HN 0.161 nan 8.210 nan 0.000 0.434 451 P HA 0.178 nan 4.420 nan 0.000 0.269 451 P C -0.169 177.105 177.300 -0.044 0.000 1.215 451 P CA -0.270 62.808 63.100 -0.036 0.000 0.780 451 P CB 0.572 32.261 31.700 -0.019 0.000 0.898 452 A N 2.196 124.985 122.820 -0.051 0.000 2.466 452 A HA 0.231 4.551 4.320 0.001 0.000 0.238 452 A C 0.022 177.559 177.584 -0.077 0.000 1.074 452 A CA -0.243 51.756 52.037 -0.063 0.000 0.774 452 A CB -0.070 18.895 19.000 -0.059 0.000 1.015 452 A HN 0.393 nan 8.150 nan 0.000 0.498 453 V N 2.510 122.352 119.914 -0.119 0.000 2.432 453 V HA 0.236 4.357 4.120 0.001 0.000 0.275 453 V C 0.067 176.023 176.094 -0.229 0.000 1.043 453 V CA 0.189 62.355 62.300 -0.223 0.000 0.925 453 V CB 1.322 32.981 31.823 -0.273 0.000 0.985 453 V HN 1.012 nan 8.190 nan 0.000 0.466 454 D N 2.220 122.479 120.400 -0.236 0.000 2.501 454 D HA 0.139 4.779 4.640 0.001 0.000 0.224 454 D C 0.107 176.385 176.300 -0.036 0.000 1.202 454 D CA -0.183 53.758 54.000 -0.098 0.000 0.829 454 D CB -0.010 40.787 40.800 -0.005 0.000 1.023 454 D HN 0.767 nan 8.370 nan 0.000 0.499 455 H N -2.762 116.312 119.070 0.008 0.000 2.946 455 H HA 0.738 5.295 4.556 0.001 0.000 0.365 455 H C -2.992 172.348 175.328 0.019 0.000 1.197 455 H CA -2.233 53.824 56.048 0.015 0.000 1.131 455 H CB -0.165 29.610 29.762 0.023 0.000 1.849 455 H HN -0.347 nan 8.280 nan 0.000 0.555 456 P HA 0.055 nan 4.420 nan 0.000 0.267 456 P C -0.345 177.104 177.300 0.249 0.000 1.200 456 P CA -0.076 63.112 63.100 0.147 0.000 0.772 456 P CB 0.628 32.397 31.700 0.114 0.000 0.855 457 L N 2.787 124.102 121.223 0.153 0.000 2.399 457 L HA 0.391 4.731 4.340 0.001 0.000 0.266 457 L C 1.041 178.010 176.870 0.164 0.000 1.114 457 L CA -1.191 53.750 54.840 0.169 0.000 0.804 457 L CB 0.342 42.452 42.059 0.085 0.000 1.146 457 L HN 0.375 nan 8.230 nan 0.000 0.451 458 I N -1.010 119.670 120.570 0.183 0.000 2.752 458 I HA 0.085 4.255 4.170 0.001 0.000 0.287 458 I C -0.084 176.116 176.117 0.139 0.000 1.188 458 I CA -0.506 60.900 61.300 0.176 0.000 1.427 458 I CB 0.245 38.320 38.000 0.126 0.000 1.365 458 I HN 0.577 nan 8.210 nan 0.000 0.585 459 D N 4.559 125.035 120.400 0.127 0.000 2.549 459 D HA 0.498 5.138 4.640 0.001 0.000 0.270 459 D C 0.933 177.290 176.300 0.095 0.000 1.181 459 D CA -0.289 53.770 54.000 0.098 0.000 1.070 459 D CB 1.003 41.851 40.800 0.080 0.000 1.154 459 D HN 0.606 nan 8.370 nan 0.000 0.602 460 A N -0.091 122.776 122.820 0.078 0.000 1.877 460 A HA 0.037 4.357 4.320 0.001 0.000 0.216 460 A C 2.177 179.796 177.584 0.058 0.000 1.186 460 A CA 2.706 54.786 52.037 0.071 0.000 0.620 460 A CB -1.467 17.567 19.000 0.056 0.000 0.822 460 A HN 0.696 nan 8.150 nan 0.000 0.443 461 A N 0.011 122.866 122.820 0.060 0.000 1.902 461 A HA -0.195 4.125 4.320 0.001 0.000 0.217 461 A C 1.773 179.400 177.584 0.072 0.000 1.181 461 A CA 1.924 53.995 52.037 0.058 0.000 0.623 461 A CB -0.610 18.425 19.000 0.058 0.000 0.818 461 A HN 0.483 nan 8.150 nan 0.000 0.443 462 D N 0.198 120.658 120.400 0.101 0.000 2.097 462 D HA -0.085 4.556 4.640 0.001 0.000 0.195 462 D C 2.269 178.552 176.300 -0.028 0.000 0.989 462 D CA 1.637 55.716 54.000 0.132 0.000 0.827 462 D CB -0.562 40.365 40.800 0.213 0.000 0.966 462 D HN 0.421 nan 8.370 nan 0.000 0.456 463 A N 1.125 123.926 122.820 -0.032 0.000 1.908 463 A HA -0.094 4.226 4.320 0.001 0.000 0.218 463 A C 2.327 179.848 177.584 -0.105 0.000 1.181 463 A CA 2.455 54.427 52.037 -0.108 0.000 0.627 463 A CB -0.748 18.247 19.000 -0.008 0.000 0.818 463 A HN 0.251 nan 8.150 nan 0.000 0.445 464 A N -0.495 122.304 122.820 -0.035 0.000 1.877 464 A HA -0.181 4.139 4.320 0.001 0.000 0.216 464 A C 2.062 179.630 177.584 -0.027 0.000 1.186 464 A CA 1.777 53.800 52.037 -0.024 0.000 0.620 464 A CB -0.578 18.425 19.000 0.006 0.000 0.822 464 A HN 0.671 nan 8.150 nan 0.000 0.443 465 E N -0.196 120.001 120.200 -0.004 0.000 2.058 465 E HA -0.194 4.157 4.350 0.001 0.000 0.194 465 E C 1.956 178.538 176.600 -0.031 0.000 0.997 465 E CA 1.302 57.713 56.400 0.018 0.000 0.801 465 E CB -0.210 29.552 29.700 0.103 0.000 0.746 465 E HN 0.614 nan 8.360 nan 0.000 0.450 466 L N 0.577 121.721 121.223 -0.132 0.000 2.093 466 L HA -0.171 4.169 4.340 0.001 0.000 0.208 466 L C 2.629 179.406 176.870 -0.155 0.000 1.085 466 L CA 1.177 55.888 54.840 -0.215 0.000 0.755 466 L CB -0.233 41.574 42.059 -0.419 0.000 0.904 466 L HN 0.060 nan 8.230 nan 0.000 0.435 467 K N -0.093 120.219 120.400 -0.146 0.000 2.063 467 K HA -0.174 4.147 4.320 0.001 0.000 0.208 467 K C 2.202 178.763 176.600 -0.066 0.000 1.048 467 K CA 1.438 57.659 56.287 -0.110 0.000 0.928 467 K CB -0.276 32.165 32.500 -0.099 0.000 0.713 467 K HN 0.303 nan 8.250 nan 0.000 0.442 468 A N 1.994 124.786 122.820 -0.046 0.000 1.873 468 A HA -0.182 4.138 4.320 0.001 0.000 0.215 468 A C 1.948 179.520 177.584 -0.020 0.000 1.186 468 A CA 1.472 53.495 52.037 -0.024 0.000 0.616 468 A CB -0.290 18.705 19.000 -0.009 0.000 0.823 468 A HN 0.192 nan 8.150 nan 0.000 0.442 469 K N -0.398 119.990 120.400 -0.020 0.000 2.063 469 K HA -0.090 4.230 4.320 0.001 0.000 0.208 469 K C 1.871 178.458 176.600 -0.022 0.000 1.048 469 K CA 1.424 57.705 56.287 -0.011 0.000 0.928 469 K CB -0.422 32.080 32.500 0.004 0.000 0.713 469 K HN 0.295 nan 8.250 nan 0.000 0.442 470 V N 1.906 121.795 119.914 -0.042 0.000 2.332 470 V HA -0.244 3.876 4.120 0.001 0.000 0.248 470 V C 2.178 178.256 176.094 -0.027 0.000 1.055 470 V CA 1.655 63.931 62.300 -0.040 0.000 1.038 470 V CB -0.381 31.407 31.823 -0.059 0.000 0.651 470 V HN 0.291 nan 8.190 nan 0.000 0.450 471 L N -0.168 121.038 121.223 -0.028 0.000 2.217 471 L HA -0.059 4.281 4.340 0.001 0.000 0.211 471 L C 2.488 179.350 176.870 -0.013 0.000 1.107 471 L CA 1.235 56.062 54.840 -0.021 0.000 0.783 471 L CB -0.584 41.461 42.059 -0.023 0.000 0.919 471 L HN 0.356 nan 8.230 nan 0.000 0.442 472 A N -0.395 122.419 122.820 -0.010 0.000 2.123 472 A HA -0.091 4.229 4.320 0.001 0.000 0.214 472 A C 2.435 180.017 177.584 -0.003 0.000 1.152 472 A CA 1.052 53.086 52.037 -0.005 0.000 0.728 472 A CB -0.348 18.651 19.000 -0.001 0.000 0.814 472 A HN 0.458 nan 8.150 nan 0.000 0.464 473 S N -1.421 114.276 115.700 -0.005 0.000 2.447 473 S HA 0.240 4.710 4.470 0.001 0.000 0.233 473 S C 1.626 176.225 174.600 -0.002 0.000 1.006 473 S CA 1.477 59.676 58.200 -0.003 0.000 0.957 473 S CB -0.430 62.767 63.200 -0.004 0.000 0.773 473 S HN 1.841 nan 8.310 nan 0.000 0.507 474 G N 0.462 109.260 108.800 -0.003 0.000 2.194 474 G HA2 -0.206 3.755 3.960 0.001 0.000 0.236 474 G HA3 -0.206 3.755 3.960 0.001 0.000 0.236 474 G C -0.020 174.878 174.900 -0.002 0.000 0.987 474 G CA -0.008 45.090 45.100 -0.002 0.000 0.635 474 G HN 0.542 nan 8.290 nan 0.000 0.520 475 L N 2.514 123.736 121.223 -0.003 0.000 2.525 475 L HA 0.384 4.724 4.340 0.001 0.000 0.278 475 L C 1.675 178.542 176.870 -0.004 0.000 1.218 475 L CA 0.682 55.522 54.840 -0.001 0.000 0.878 475 L CB 0.464 42.523 42.059 -0.000 0.000 1.127 475 L HN 0.456 nan 8.230 nan 0.000 0.492 476 T N -0.559 113.993 114.554 -0.002 0.000 2.849 476 T HA 0.223 4.573 4.350 0.001 0.000 0.284 476 T C 1.343 176.035 174.700 -0.013 0.000 1.004 476 T CA -0.970 61.125 62.100 -0.008 0.000 1.021 476 T CB 1.445 70.310 68.868 -0.005 0.000 1.013 476 T HN 0.248 nan 8.240 nan 0.000 0.527 477 V N 1.478 121.376 119.914 -0.027 0.000 2.317 477 V HA -0.206 3.914 4.120 0.001 0.000 0.251 477 V C 3.027 179.099 176.094 -0.037 0.000 1.065 477 V CA 2.532 64.804 62.300 -0.046 0.000 1.049 477 V CB -1.222 30.563 31.823 -0.064 0.000 0.651 477 V HN 1.110 nan 8.190 nan 0.000 0.450 478 S N -1.056 114.629 115.700 -0.024 0.000 2.356 478 S HA -0.286 4.185 4.470 0.001 0.000 0.223 478 S C 2.046 176.658 174.600 0.021 0.000 1.032 478 S CA 2.061 60.255 58.200 -0.009 0.000 1.005 478 S CB -0.255 62.941 63.200 -0.007 0.000 0.867 478 S HN 0.708 nan 8.310 nan 0.000 0.449 479 Q N 0.151 119.964 119.800 0.021 0.000 2.096 479 Q HA -0.065 4.275 4.340 0.001 0.000 0.204 479 Q C 2.308 178.342 176.000 0.056 0.000 0.982 479 Q CA 1.705 57.530 55.803 0.037 0.000 0.850 479 Q CB -0.281 28.472 28.738 0.024 0.000 0.901 479 Q HN 0.540 nan 8.270 nan 0.000 0.422 480 L N -0.539 120.711 121.223 0.044 0.000 2.023 480 L HA -0.148 4.192 4.340 0.001 0.000 0.205 480 L C 2.351 179.298 176.870 0.128 0.000 1.073 480 L CA 0.679 55.556 54.840 0.062 0.000 0.745 480 L CB -0.466 41.606 42.059 0.021 0.000 0.900 480 L HN 0.072 nan 8.230 nan 0.000 0.435 481 V N -0.755 119.215 119.914 0.093 0.000 2.343 481 V HA -0.274 3.846 4.120 0.001 0.000 0.247 481 V C 2.594 178.895 176.094 0.346 0.000 1.051 481 V CA 2.060 64.461 62.300 0.167 0.000 1.036 481 V CB -0.500 31.293 31.823 -0.051 0.000 0.654 481 V HN 0.370 nan 8.190 nan 0.000 0.451 482 S N -0.262 115.570 115.700 0.219 0.000 2.382 482 S HA -0.198 4.272 4.470 0.001 0.000 0.228 482 S C 2.072 176.829 174.600 0.262 0.000 1.027 482 S CA 1.973 60.319 58.200 0.242 0.000 0.991 482 S CB -0.400 62.884 63.200 0.140 0.000 0.823 482 S HN 0.707 nan 8.310 nan 0.000 0.469 483 T N 2.259 116.930 114.554 0.195 0.000 2.770 483 T HA 0.047 4.397 4.350 0.001 0.000 0.263 483 T C 2.202 176.996 174.700 0.157 0.000 1.039 483 T CA 1.145 63.332 62.100 0.145 0.000 1.142 483 T CB -0.495 68.430 68.868 0.095 0.000 0.868 483 T HN 0.446 nan 8.240 nan 0.000 0.435 484 A N 1.431 124.389 122.820 0.230 0.000 1.902 484 A HA -0.104 4.216 4.320 0.001 0.000 0.217 484 A C 2.161 179.823 177.584 0.130 0.000 1.181 484 A CA 1.274 53.433 52.037 0.204 0.000 0.623 484 A CB -1.090 18.144 19.000 0.390 0.000 0.818 484 A HN 0.749 nan 8.150 nan 0.000 0.443 485 W N 0.849 122.239 121.300 0.151 0.000 2.355 485 W HA -0.191 4.469 4.660 0.000 0.000 0.309 485 W C 2.234 178.768 176.519 0.026 0.000 1.206 485 W CA 2.060 59.434 57.345 0.047 0.000 1.284 485 W CB -0.368 29.207 29.460 0.191 0.000 1.145 485 W HN 0.422 nan 8.180 nan 0.000 0.502 486 A N 1.033 123.895 122.820 0.071 0.000 1.940 486 A HA -0.113 4.207 4.320 0.001 0.000 0.219 486 A C 2.167 179.700 177.584 -0.084 0.000 1.176 486 A CA 2.777 54.820 52.037 0.010 0.000 0.631 486 A CB -1.239 17.832 19.000 0.119 0.000 0.814 486 A HN 0.348 nan 8.150 nan 0.000 0.446 487 A N -0.618 122.150 122.820 -0.088 0.000 1.897 487 A HA 0.312 4.632 4.320 0.001 0.000 0.215 487 A C 2.420 179.904 177.584 -0.167 0.000 1.181 487 A CA 1.787 53.766 52.037 -0.097 0.000 0.620 487 A CB -0.774 18.190 19.000 -0.060 0.000 0.821 487 A HN 1.001 nan 8.150 nan 0.000 0.443 488 A N -0.115 122.530 122.820 -0.292 0.000 2.030 488 A HA 0.103 4.423 4.320 0.001 0.000 0.215 488 A C 2.223 179.548 177.584 -0.432 0.000 1.164 488 A CA 1.563 53.386 52.037 -0.357 0.000 0.697 488 A CB -0.585 18.134 19.000 -0.468 0.000 0.827 488 A HN 0.914 nan 8.150 nan 0.000 0.457 489 S N -0.035 115.261 115.700 -0.673 0.000 2.603 489 S HA -0.056 4.414 4.470 0.001 0.000 0.220 489 S C 1.505 175.919 174.600 -0.310 0.000 0.967 489 S CA 1.117 58.846 58.200 -0.786 0.000 0.920 489 S CB -1.021 61.174 63.200 -1.674 0.000 0.773 489 S HN 0.644 nan 8.310 nan 0.000 0.529 490 T N -1.342 113.127 114.554 -0.142 0.000 3.072 490 T HA 0.136 4.486 4.350 0.001 0.000 0.266 490 T C 0.352 175.069 174.700 0.029 0.000 1.127 490 T CA -0.273 61.834 62.100 0.011 0.000 1.107 490 T CB -0.836 68.099 68.868 0.113 0.000 0.910 490 T HN 0.391 nan 8.240 nan 0.000 0.513 491 F N 4.309 124.190 119.950 -0.114 0.000 2.563 491 F HA 0.294 4.821 4.527 0.000 0.000 0.363 491 F C 0.751 176.524 175.800 -0.045 0.000 1.123 491 F CA -0.821 57.137 58.000 -0.070 0.000 1.307 491 F CB 0.578 39.511 39.000 -0.110 0.000 1.115 491 F HN 0.183 nan 8.300 nan 0.000 0.592 492 R N 4.135 124.135 120.500 -0.833 0.000 2.574 492 R HA 0.473 4.813 4.340 0.001 0.000 0.288 492 R C 0.122 175.916 176.300 -0.842 0.000 1.004 492 R CA -0.455 55.308 56.100 -0.561 0.000 0.895 492 R CB 1.162 31.302 30.300 -0.268 0.000 1.191 492 R HN 0.759 nan 8.270 nan 0.000 0.444 493 G N 1.040 109.644 108.800 -0.326 0.000 2.572 493 G HA2 -0.204 3.757 3.960 0.001 0.000 0.216 493 G HA3 -0.204 3.757 3.960 0.001 0.000 0.216 493 G C 1.201 176.059 174.900 -0.070 0.000 1.133 493 G CA 0.624 45.687 45.100 -0.061 0.000 0.791 493 G HN 0.742 nan 8.290 nan 0.000 0.538 494 S N 1.666 117.304 115.700 -0.103 0.000 2.356 494 S HA -0.161 4.309 4.470 0.001 0.000 0.223 494 S C 1.647 176.230 174.600 -0.028 0.000 1.032 494 S CA 1.817 59.984 58.200 -0.056 0.000 1.005 494 S CB -0.173 62.986 63.200 -0.068 0.000 0.867 494 S HN 0.468 nan 8.310 nan 0.000 0.449 495 D N -0.459 119.910 120.400 -0.053 0.000 2.500 495 D HA 0.210 4.850 4.640 0.001 0.000 0.217 495 D C 0.157 176.418 176.300 -0.065 0.000 1.159 495 D CA -0.213 53.786 54.000 -0.002 0.000 0.828 495 D CB -0.414 40.484 40.800 0.163 0.000 1.039 495 D HN 0.457 nan 8.370 nan 0.000 0.512 496 K N -0.177 120.109 120.400 -0.190 0.000 3.291 496 K HA -0.180 4.140 4.320 0.001 0.000 0.290 496 K C -0.218 176.343 176.600 -0.065 0.000 1.235 496 K CA 0.506 56.709 56.287 -0.141 0.000 0.848 496 K CB -1.292 31.237 32.500 0.049 0.000 1.295 496 K HN 0.264 nan 8.250 nan 0.000 0.497 497 R N 0.311 120.704 120.500 -0.178 0.000 2.532 497 R HA 0.578 4.918 4.340 0.001 0.000 0.272 497 R C 0.914 177.174 176.300 -0.068 0.000 1.032 497 R CA 0.186 56.263 56.100 -0.040 0.000 1.089 497 R CB 1.328 31.633 30.300 0.008 0.000 1.098 497 R HN 0.321 nan 8.270 nan 0.000 0.526 498 G N -0.130 108.715 108.800 0.076 0.000 2.698 498 G HA2 0.197 4.158 3.960 0.001 0.000 0.225 498 G HA3 0.197 4.158 3.960 0.001 0.000 0.225 498 G C -0.077 174.963 174.900 0.233 0.000 1.345 498 G CA -0.482 44.687 45.100 0.114 0.000 0.871 498 G HN 1.143 nan 8.290 nan 0.000 0.540 499 G N -2.856 106.038 108.800 0.157 0.000 2.541 499 G HA2 0.500 4.461 3.960 0.001 0.000 0.686 499 G HA3 0.500 4.461 3.960 0.001 0.000 0.686 499 G C 0.917 175.803 174.900 -0.024 0.000 1.286 499 G CA 0.927 46.067 45.100 0.065 0.000 0.894 499 G HN 2.425 nan 8.290 nan 0.000 0.575 500 A N -0.185 122.581 122.820 -0.090 0.000 2.066 500 A HA 0.229 4.550 4.320 0.001 0.000 0.218 500 A C 1.335 178.888 177.584 -0.052 0.000 1.157 500 A CA 1.680 53.666 52.037 -0.084 0.000 0.670 500 A CB -0.360 18.573 19.000 -0.113 0.000 0.804 500 A HN 1.169 nan 8.150 nan 0.000 0.453 501 N N -0.154 118.515 118.700 -0.051 0.000 2.458 501 N HA 0.302 5.043 4.740 0.001 0.000 0.258 501 N C 1.116 176.617 175.510 -0.016 0.000 1.219 501 N CA 1.564 54.594 53.050 -0.034 0.000 0.902 501 N CB 0.519 38.985 38.487 -0.035 0.000 1.076 501 N HN 0.604 nan 8.380 nan 0.000 0.455 502 G N 2.241 111.032 108.800 -0.015 0.000 2.232 502 G HA2 -0.144 3.816 3.960 0.001 0.000 0.226 502 G HA3 -0.144 3.816 3.960 0.001 0.000 0.226 502 G C 0.421 175.310 174.900 -0.018 0.000 0.996 502 G CA 0.356 45.447 45.100 -0.014 0.000 0.626 502 G HN 1.632 nan 8.290 nan 0.000 0.509 503 A N -0.572 122.235 122.820 -0.021 0.000 2.640 503 A HA -0.260 4.060 4.320 0.001 0.000 0.300 503 A C 1.496 179.052 177.584 -0.047 0.000 1.499 503 A CA 2.266 54.286 52.037 -0.028 0.000 0.759 503 A CB -1.617 17.374 19.000 -0.015 0.000 1.048 503 A HN 1.011 nan 8.150 nan 0.000 0.450 504 R N -0.693 119.772 120.500 -0.059 0.000 2.307 504 R HA 0.139 4.479 4.340 0.001 0.000 0.199 504 R C 1.932 178.145 176.300 -0.145 0.000 1.000 504 R CA 0.933 56.980 56.100 -0.089 0.000 1.023 504 R CB -0.176 30.077 30.300 -0.078 0.000 0.908 504 R HN 0.817 nan 8.270 nan 0.000 0.473 505 I N 2.047 122.539 120.570 -0.130 0.000 2.423 505 I HA -0.310 3.861 4.170 0.001 0.000 0.254 505 I C 2.404 178.440 176.117 -0.135 0.000 1.151 505 I CA 1.367 62.576 61.300 -0.152 0.000 1.421 505 I CB -0.004 37.943 38.000 -0.089 0.000 1.079 505 I HN 0.155 nan 8.210 nan 0.000 0.431 506 R N 0.440 120.883 120.500 -0.095 0.000 2.275 506 R HA 0.067 4.407 4.340 0.001 0.000 0.199 506 R C 0.439 176.687 176.300 -0.086 0.000 0.989 506 R CA 0.210 56.265 56.100 -0.075 0.000 1.016 506 R CB -0.197 30.075 30.300 -0.047 0.000 0.918 506 R HN 0.293 nan 8.270 nan 0.000 0.473 507 L N 0.921 122.076 121.223 -0.112 0.000 2.358 507 L HA 0.540 4.880 4.340 0.001 0.000 0.268 507 L C 0.202 176.982 176.870 -0.150 0.000 1.032 507 L CA -1.304 53.473 54.840 -0.105 0.000 0.805 507 L CB 1.420 43.426 42.059 -0.087 0.000 1.253 507 L HN 0.044 nan 8.230 nan 0.000 0.452 508 A N 1.673 124.426 122.820 -0.112 0.000 2.425 508 A HA 0.365 4.685 4.320 0.001 0.000 0.249 508 A C -1.785 175.716 177.584 -0.140 0.000 1.084 508 A CA -0.910 51.055 52.037 -0.120 0.000 0.781 508 A CB -0.069 18.898 19.000 -0.054 0.000 1.019 508 A HN 0.601 nan 8.150 nan 0.000 0.490 509 P HA -0.015 nan 4.420 nan 0.000 0.245 509 P C 0.835 177.692 177.300 -0.739 0.000 1.203 509 P CA 0.538 63.486 63.100 -0.253 0.000 0.792 509 P CB 0.341 32.039 31.700 -0.002 0.000 0.997 510 Q N 1.338 120.535 119.800 -1.006 0.000 2.096 510 Q HA -0.174 4.166 4.340 0.001 0.000 0.204 510 Q C 2.199 177.766 176.000 -0.721 0.000 0.982 510 Q CA 1.782 56.697 55.803 -1.482 0.000 0.850 510 Q CB -0.476 27.677 28.738 -0.975 0.000 0.901 510 Q HN 0.451 nan 8.270 nan 0.000 0.422 511 K N 0.244 120.403 120.400 -0.402 0.000 2.280 511 K HA -0.146 4.174 4.320 0.001 0.000 0.202 511 K C 0.516 177.045 176.600 -0.118 0.000 1.047 511 K CA 1.550 57.720 56.287 -0.195 0.000 0.942 511 K CB 0.191 32.613 32.500 -0.130 0.000 0.739 511 K HN 0.077 nan 8.250 nan 0.000 0.457 512 D N -0.244 120.075 120.400 -0.134 0.000 2.440 512 D HA 0.043 4.684 4.640 0.001 0.000 0.216 512 D C -0.544 175.848 176.300 0.153 0.000 1.150 512 D CA -0.204 53.801 54.000 0.008 0.000 0.832 512 D CB 0.186 40.999 40.800 0.022 0.000 0.992 512 D HN 0.161 nan 8.370 nan 0.000 0.502 513 W N 2.174 123.485 121.300 0.018 0.000 2.216 513 W HA 0.102 4.763 4.660 0.000 0.000 0.326 513 W C 1.809 178.330 176.519 0.004 0.000 1.319 513 W CA -0.870 56.488 57.345 0.022 0.000 1.213 513 W CB 0.439 29.908 29.460 0.014 0.000 1.171 513 W HN 0.100 nan 8.180 nan 0.000 0.557 514 E N 2.425 122.772 120.200 0.244 0.000 2.085 514 E HA -0.213 4.137 4.350 0.001 0.000 0.194 514 E C 2.003 178.582 176.600 -0.035 0.000 0.994 514 E CA 1.829 58.307 56.400 0.131 0.000 0.801 514 E CB 0.094 29.908 29.700 0.189 0.000 0.743 514 E HN 0.482 nan 8.360 nan 0.000 0.453 515 A N 1.025 123.715 122.820 -0.216 0.000 2.032 515 A HA -0.192 4.128 4.320 0.001 0.000 0.221 515 A C 1.714 179.208 177.584 -0.150 0.000 1.165 515 A CA 1.670 53.368 52.037 -0.564 0.000 0.645 515 A CB -0.409 18.282 19.000 -0.515 0.000 0.807 515 A HN 0.273 nan 8.150 nan 0.000 0.453 516 N N -0.579 118.145 118.700 0.040 0.000 2.336 516 N HA 0.092 4.832 4.740 0.001 0.000 0.189 516 N C -0.543 174.998 175.510 0.051 0.000 1.113 516 N CA 0.317 53.415 53.050 0.080 0.000 0.858 516 N CB 0.031 38.593 38.487 0.124 0.000 0.970 516 N HN 0.551 nan 8.380 nan 0.000 0.471 517 Q N -0.799 119.023 119.800 0.037 0.000 2.449 517 Q HA -0.142 4.198 4.340 0.001 0.000 0.351 517 Q C -1.910 174.113 176.000 0.039 0.000 1.456 517 Q CA -0.224 55.601 55.803 0.037 0.000 0.951 517 Q CB -0.908 27.849 28.738 0.032 0.000 1.153 517 Q HN 0.257 nan 8.270 nan 0.000 0.341 518 P HA -0.232 nan 4.420 nan 0.000 0.216 518 P C 0.783 178.096 177.300 0.021 0.000 1.150 518 P CA 1.420 64.538 63.100 0.030 0.000 0.843 518 P CB 0.262 31.983 31.700 0.036 0.000 0.787 519 E N -0.820 119.395 120.200 0.025 0.000 2.051 519 E HA -0.183 4.167 4.350 0.001 0.000 0.189 519 E C 2.229 178.841 176.600 0.019 0.000 0.979 519 E CA 0.585 56.998 56.400 0.021 0.000 0.803 519 E CB -0.399 29.315 29.700 0.023 0.000 0.761 519 E HN 0.294 nan 8.360 nan 0.000 0.451 520 Q N 1.045 120.859 119.800 0.023 0.000 2.077 520 Q HA -0.256 4.085 4.340 0.001 0.000 0.206 520 Q C 2.324 178.337 176.000 0.022 0.000 0.989 520 Q CA 1.610 57.427 55.803 0.023 0.000 0.853 520 Q CB -0.207 28.548 28.738 0.028 0.000 0.907 520 Q HN 0.256 nan 8.270 nan 0.000 0.418 521 L N 0.870 122.106 121.223 0.022 0.000 2.046 521 L HA -0.094 4.247 4.340 0.001 0.000 0.208 521 L C 2.368 179.243 176.870 0.008 0.000 1.077 521 L CA 2.307 57.157 54.840 0.018 0.000 0.747 521 L CB -1.022 41.045 42.059 0.013 0.000 0.896 521 L HN 0.316 nan 8.230 nan 0.000 0.432 522 A N -0.281 122.542 122.820 0.005 0.000 1.892 522 A HA -0.199 4.121 4.320 0.001 0.000 0.218 522 A C 2.471 180.057 177.584 0.004 0.000 1.188 522 A CA 2.310 54.348 52.037 0.001 0.000 0.631 522 A CB -1.335 17.666 19.000 0.002 0.000 0.822 522 A HN 0.619 nan 8.150 nan 0.000 0.447 523 A N -0.781 122.043 122.820 0.008 0.000 1.898 523 A HA 0.036 4.356 4.320 0.001 0.000 0.216 523 A C 2.248 179.837 177.584 0.008 0.000 1.181 523 A CA 1.764 53.806 52.037 0.008 0.000 0.620 523 A CB -0.932 18.074 19.000 0.010 0.000 0.819 523 A HN 0.414 nan 8.150 nan 0.000 0.442 524 V N 0.310 120.231 119.914 0.011 0.000 2.295 524 V HA -0.267 3.853 4.120 0.001 0.000 0.246 524 V C 2.562 178.660 176.094 0.007 0.000 1.049 524 V CA 1.966 64.273 62.300 0.012 0.000 1.024 524 V CB -0.857 30.978 31.823 0.020 0.000 0.648 524 V HN 0.572 nan 8.190 nan 0.000 0.447 525 L N 0.035 121.260 121.223 0.005 0.000 2.079 525 L HA -0.241 4.099 4.340 0.001 0.000 0.210 525 L C 2.610 179.479 176.870 -0.001 0.000 1.081 525 L CA 2.186 57.026 54.840 -0.001 0.000 0.752 525 L CB -0.601 41.454 42.059 -0.007 0.000 0.896 525 L HN 0.508 nan 8.230 nan 0.000 0.433 526 E N -0.095 120.105 120.200 0.000 0.000 2.072 526 E HA -0.187 4.163 4.350 0.001 0.000 0.191 526 E C 1.948 178.549 176.600 0.002 0.000 0.985 526 E CA 1.824 58.224 56.400 0.001 0.000 0.801 526 E CB 0.058 29.759 29.700 0.002 0.000 0.750 526 E HN 0.346 nan 8.360 nan 0.000 0.452 527 T N 1.553 116.108 114.554 0.002 0.000 2.708 527 T HA -0.123 4.227 4.350 0.001 0.000 0.266 527 T C 1.906 176.605 174.700 -0.000 0.000 1.037 527 T CA 1.353 63.454 62.100 0.002 0.000 1.146 527 T CB -0.269 68.600 68.868 0.002 0.000 0.865 527 T HN 0.147 nan 8.240 nan 0.000 0.435 528 L N 0.692 121.913 121.223 -0.003 0.000 2.042 528 L HA -0.129 4.211 4.340 0.001 0.000 0.210 528 L C 2.828 179.694 176.870 -0.006 0.000 1.076 528 L CA 1.374 56.208 54.840 -0.010 0.000 0.749 528 L CB -0.505 41.547 42.059 -0.011 0.000 0.893 528 L HN 0.237 nan 8.230 nan 0.000 0.432 529 E N 0.427 120.626 120.200 -0.001 0.000 2.153 529 E HA -0.189 4.161 4.350 0.001 0.000 0.194 529 E C 2.077 178.683 176.600 0.010 0.000 0.988 529 E CA 1.378 57.780 56.400 0.003 0.000 0.811 529 E CB -0.044 29.657 29.700 0.002 0.000 0.746 529 E HN 0.387 nan 8.360 nan 0.000 0.466 530 A N 0.236 123.062 122.820 0.009 0.000 1.898 530 A HA -0.093 4.227 4.320 0.001 0.000 0.216 530 A C 2.293 179.891 177.584 0.023 0.000 1.181 530 A CA 1.313 53.358 52.037 0.013 0.000 0.620 530 A CB -0.579 18.427 19.000 0.010 0.000 0.819 530 A HN 0.334 nan 8.150 nan 0.000 0.442 531 I N -1.135 119.447 120.570 0.019 0.000 2.252 531 I HA -0.229 3.941 4.170 0.001 0.000 0.245 531 I C 2.718 178.870 176.117 0.059 0.000 1.102 531 I CA 1.453 62.770 61.300 0.029 0.000 1.385 531 I CB -0.266 37.734 38.000 -0.000 0.000 1.064 531 I HN 0.327 nan 8.210 nan 0.000 0.414 532 R N 0.373 120.895 120.500 0.038 0.000 2.073 532 R HA -0.160 4.181 4.340 0.001 0.000 0.234 532 R C 2.298 178.657 176.300 0.097 0.000 1.134 532 R CA 2.141 58.278 56.100 0.062 0.000 0.952 532 R CB -0.282 30.032 30.300 0.024 0.000 0.850 532 R HN 0.296 nan 8.270 nan 0.000 0.433 533 T N 0.653 115.240 114.554 0.055 0.000 2.708 533 T HA -0.131 4.220 4.350 0.001 0.000 0.266 533 T C 1.852 176.578 174.700 0.043 0.000 1.037 533 T CA 1.358 63.482 62.100 0.039 0.000 1.146 533 T CB -0.355 68.525 68.868 0.020 0.000 0.865 533 T HN 0.429 nan 8.240 nan 0.000 0.435 534 A N 1.127 123.978 122.820 0.053 0.000 1.883 534 A HA -0.089 4.232 4.320 0.001 0.000 0.217 534 A C 2.055 179.679 177.584 0.066 0.000 1.186 534 A CA 1.652 53.718 52.037 0.048 0.000 0.624 534 A CB -1.045 17.988 19.000 0.054 0.000 0.822 534 A HN 0.493 nan 8.150 nan 0.000 0.444 535 F N 1.152 121.088 119.950 -0.024 0.000 2.113 535 F HA -0.150 4.378 4.527 0.001 0.000 0.297 535 F C 1.954 177.736 175.800 -0.031 0.000 1.103 535 F CA 1.981 59.966 58.000 -0.025 0.000 1.248 535 F CB -0.191 38.792 39.000 -0.027 0.000 0.999 535 F HN 0.198 nan 8.300 nan 0.000 0.475 536 N N 0.438 119.192 118.700 0.090 0.000 2.244 536 N HA -0.064 4.676 4.740 0.001 0.000 0.183 536 N C 1.985 177.437 175.510 -0.097 0.000 1.016 536 N CA 1.222 54.264 53.050 -0.014 0.000 0.866 536 N CB -1.016 37.497 38.487 0.044 0.000 0.980 536 N HN 0.444 nan 8.380 nan 0.000 0.430 537 G N -0.368 108.388 108.800 -0.074 0.000 2.572 537 G HA2 0.027 3.988 3.960 0.001 0.000 0.216 537 G HA3 0.027 3.988 3.960 0.001 0.000 0.216 537 G C 1.261 176.098 174.900 -0.105 0.000 1.133 537 G CA 0.693 45.749 45.100 -0.073 0.000 0.791 537 G HN 0.391 nan 8.290 nan 0.000 0.538 538 A N -0.713 122.007 122.820 -0.167 0.000 2.238 538 A HA 0.332 4.652 4.320 0.001 0.000 0.210 538 A C 1.186 178.638 177.584 -0.220 0.000 1.179 538 A CA 0.133 52.062 52.037 -0.181 0.000 0.827 538 A CB 0.103 18.981 19.000 -0.203 0.000 0.856 538 A HN 0.267 nan 8.150 nan 0.000 0.488 539 Q N 0.719 120.368 119.800 -0.252 0.000 2.260 539 Q HA 0.426 4.766 4.340 0.001 0.000 0.242 539 Q C -0.287 175.634 176.000 -0.131 0.000 0.932 539 Q CA -0.061 55.599 55.803 -0.237 0.000 0.891 539 Q CB 0.948 29.528 28.738 -0.263 0.000 1.222 539 Q HN 0.293 nan 8.270 nan 0.000 0.453 540 R N -0.676 119.765 120.500 -0.099 0.000 2.828 540 R HA 0.573 4.913 4.340 0.001 0.000 0.264 540 R C 0.698 176.976 176.300 -0.036 0.000 1.022 540 R CA -0.119 55.947 56.100 -0.057 0.000 1.021 540 R CB 1.111 31.384 30.300 -0.045 0.000 1.163 540 R HN 0.881 nan 8.270 nan 0.000 0.494 541 G N -0.391 108.397 108.800 -0.020 0.000 2.179 541 G HA2 -0.279 3.682 3.960 0.001 0.000 0.260 541 G HA3 -0.279 3.682 3.960 0.001 0.000 0.260 541 G C 0.750 175.656 174.900 0.010 0.000 0.977 541 G CA 0.659 45.759 45.100 -0.001 0.000 0.641 541 G HN 1.246 nan 8.290 nan 0.000 0.533 542 G N -0.456 108.342 108.800 -0.004 0.000 2.160 542 G HA2 -0.281 3.679 3.960 0.001 0.000 0.251 542 G HA3 -0.281 3.679 3.960 0.001 0.000 0.251 542 G C 0.274 175.185 174.900 0.018 0.000 1.008 542 G CA 1.468 46.571 45.100 0.005 0.000 0.724 542 G HN 1.390 nan 8.290 nan 0.000 0.514 543 K N 0.552 120.959 120.400 0.010 0.000 2.350 543 K HA 0.453 4.773 4.320 0.001 0.000 0.279 543 K C 0.622 177.201 176.600 -0.036 0.000 1.027 543 K CA 0.353 56.664 56.287 0.040 0.000 0.969 543 K CB 0.190 32.727 32.500 0.062 0.000 0.954 543 K HN 0.698 nan 8.250 nan 0.000 0.474 544 Q N 0.913 120.647 119.800 -0.110 0.000 2.590 544 Q HA 0.480 4.820 4.340 0.001 0.000 0.295 544 Q C -1.829 174.142 176.000 -0.048 0.000 0.973 544 Q CA -1.173 54.561 55.803 -0.115 0.000 0.768 544 Q CB 1.770 30.316 28.738 -0.320 0.000 1.479 544 Q HN 0.312 nan 8.270 nan 0.000 0.419 545 V N 1.533 121.484 119.914 0.061 0.000 2.495 545 V HA 0.580 4.700 4.120 0.001 0.000 0.298 545 V C -0.410 175.706 176.094 0.035 0.000 1.031 545 V CA -0.071 62.261 62.300 0.054 0.000 0.871 545 V CB 1.944 33.732 31.823 -0.058 0.000 0.988 545 V HN 0.952 nan 8.190 nan 0.000 0.432 546 S N 5.744 121.496 115.700 0.087 0.000 2.585 546 S HA 0.161 4.632 4.470 0.001 0.000 0.273 546 S C 0.916 175.540 174.600 0.040 0.000 1.339 546 S CA -0.129 58.115 58.200 0.074 0.000 1.028 546 S CB 1.211 64.472 63.200 0.101 0.000 0.906 546 S HN 0.852 nan 8.310 nan 0.000 0.528 547 L N 2.483 123.722 121.223 0.025 0.000 2.083 547 L HA 0.044 4.385 4.340 0.001 0.000 0.209 547 L C 2.621 179.501 176.870 0.017 0.000 1.083 547 L CA 2.242 57.089 54.840 0.011 0.000 0.752 547 L CB -1.517 40.544 42.059 0.004 0.000 0.899 547 L HN 0.974 nan 8.230 nan 0.000 0.433 548 A N -0.725 122.110 122.820 0.025 0.000 1.892 548 A HA -0.279 4.041 4.320 0.001 0.000 0.218 548 A C 2.069 179.691 177.584 0.063 0.000 1.188 548 A CA 2.168 54.221 52.037 0.026 0.000 0.631 548 A CB -0.921 18.089 19.000 0.016 0.000 0.822 548 A HN 0.503 nan 8.150 nan 0.000 0.447 549 D N -0.760 119.702 120.400 0.104 0.000 2.097 549 D HA -0.108 4.532 4.640 0.001 0.000 0.195 549 D C 1.836 178.215 176.300 0.133 0.000 0.989 549 D CA 1.240 55.380 54.000 0.233 0.000 0.827 549 D CB -0.374 40.599 40.800 0.290 0.000 0.966 549 D HN 0.313 nan 8.370 nan 0.000 0.456 550 L N 0.664 121.894 121.223 0.012 0.000 2.141 550 L HA -0.034 4.306 4.340 0.001 0.000 0.209 550 L C 2.056 178.890 176.870 -0.059 0.000 1.094 550 L CA 1.093 55.879 54.840 -0.090 0.000 0.763 550 L CB -0.376 41.629 42.059 -0.091 0.000 0.908 550 L HN 0.006 nan 8.230 nan 0.000 0.437 551 I N -1.811 118.757 120.570 -0.004 0.000 2.226 551 I HA -0.290 3.880 4.170 0.001 0.000 0.245 551 I C 2.260 178.405 176.117 0.046 0.000 1.100 551 I CA 1.178 62.488 61.300 0.016 0.000 1.374 551 I CB -0.312 37.699 38.000 0.018 0.000 1.057 551 I HN 0.058 nan 8.210 nan 0.000 0.413 552 V N 0.360 120.319 119.914 0.075 0.000 2.323 552 V HA -0.242 3.878 4.120 0.001 0.000 0.244 552 V C 2.322 178.477 176.094 0.101 0.000 1.041 552 V CA 1.425 63.810 62.300 0.142 0.000 1.025 552 V CB -0.489 31.468 31.823 0.224 0.000 0.656 552 V HN 0.344 nan 8.190 nan 0.000 0.451 553 L N 1.034 122.154 121.223 -0.172 0.000 2.083 553 L HA -0.099 4.241 4.340 0.001 0.000 0.209 553 L C 2.442 179.184 176.870 -0.214 0.000 1.083 553 L CA 2.322 56.835 54.840 -0.546 0.000 0.752 553 L CB -0.979 40.481 42.059 -0.998 0.000 0.899 553 L HN 0.233 nan 8.230 nan 0.000 0.433 554 A N -0.597 122.154 122.820 -0.115 0.000 1.908 554 A HA -0.099 4.222 4.320 0.001 0.000 0.218 554 A C 2.355 179.959 177.584 0.032 0.000 1.181 554 A CA 1.619 53.628 52.037 -0.045 0.000 0.627 554 A CB -1.561 17.424 19.000 -0.025 0.000 0.818 554 A HN 0.523 nan 8.150 nan 0.000 0.445 555 G N -0.954 107.928 108.800 0.137 0.000 2.418 555 G HA2 -0.245 3.715 3.960 0.001 0.000 0.217 555 G HA3 -0.245 3.715 3.960 0.001 0.000 0.217 555 G C 1.564 176.592 174.900 0.213 0.000 1.158 555 G CA 1.289 46.558 45.100 0.281 0.000 0.771 555 G HN 0.534 nan 8.290 nan 0.000 0.545 556 C N 0.992 120.450 119.300 0.263 0.000 2.425 556 C HA 0.147 4.607 4.460 0.001 0.000 0.277 556 C C 3.521 178.510 174.990 -0.002 0.000 1.280 556 C CA 0.737 59.854 59.018 0.165 0.000 1.744 556 C CB -1.006 26.846 27.740 0.187 0.000 1.989 556 C HN 0.572 nan 8.230 nan 0.000 0.491 557 A N 1.071 123.874 122.820 -0.029 0.000 1.877 557 A HA 0.048 4.369 4.320 0.001 0.000 0.216 557 A C 2.438 179.986 177.584 -0.061 0.000 1.186 557 A CA 2.152 54.158 52.037 -0.052 0.000 0.620 557 A CB -1.361 17.602 19.000 -0.061 0.000 0.822 557 A HN 0.538 nan 8.150 nan 0.000 0.443 558 G N -0.500 108.261 108.800 -0.064 0.000 2.476 558 G HA2 -0.191 3.769 3.960 0.001 0.000 0.218 558 G HA3 -0.191 3.769 3.960 0.001 0.000 0.218 558 G C 1.526 176.330 174.900 -0.160 0.000 1.164 558 G CA 1.458 46.500 45.100 -0.096 0.000 0.768 558 G HN 0.351 nan 8.290 nan 0.000 0.560 559 V N 0.408 120.174 119.914 -0.247 0.000 2.358 559 V HA -0.135 3.986 4.120 0.001 0.000 0.246 559 V C 2.617 178.616 176.094 -0.158 0.000 1.047 559 V CA 2.138 64.259 62.300 -0.298 0.000 1.035 559 V CB -0.488 31.029 31.823 -0.509 0.000 0.658 559 V HN 0.450 nan 8.190 nan 0.000 0.452 560 E N -0.314 119.826 120.200 -0.101 0.000 2.058 560 E HA -0.324 4.026 4.350 0.001 0.000 0.194 560 E C 2.290 178.865 176.600 -0.041 0.000 0.997 560 E CA 1.699 58.070 56.400 -0.049 0.000 0.801 560 E CB -0.109 29.575 29.700 -0.027 0.000 0.746 560 E HN 0.507 nan 8.360 nan 0.000 0.450 561 Q N 0.533 120.302 119.800 -0.052 0.000 2.050 561 Q HA -0.140 4.200 4.340 0.001 0.000 0.202 561 Q C 1.895 177.869 176.000 -0.043 0.000 0.980 561 Q CA 1.959 57.739 55.803 -0.039 0.000 0.840 561 Q CB -0.441 28.273 28.738 -0.042 0.000 0.898 561 Q HN 0.261 nan 8.270 nan 0.000 0.424 562 A N 0.283 123.057 122.820 -0.076 0.000 1.908 562 A HA -0.124 4.196 4.320 0.001 0.000 0.218 562 A C 2.288 179.844 177.584 -0.048 0.000 1.181 562 A CA 2.120 54.107 52.037 -0.084 0.000 0.627 562 A CB -1.209 17.699 19.000 -0.154 0.000 0.818 562 A HN 0.534 nan 8.150 nan 0.000 0.445 563 A N -0.450 122.344 122.820 -0.044 0.000 1.930 563 A HA -0.141 4.180 4.320 0.001 0.000 0.217 563 A C 2.130 179.766 177.584 0.087 0.000 1.175 563 A CA 1.930 53.978 52.037 0.018 0.000 0.627 563 A CB -0.404 18.598 19.000 0.002 0.000 0.815 563 A HN 0.572 nan 8.150 nan 0.000 0.443 564 K N -0.308 120.118 120.400 0.044 0.000 2.097 564 K HA -0.153 4.168 4.320 0.001 0.000 0.205 564 K C 1.464 178.083 176.600 0.032 0.000 1.050 564 K CA 1.374 57.685 56.287 0.040 0.000 0.938 564 K CB -0.187 32.323 32.500 0.017 0.000 0.718 564 K HN 0.390 nan 8.250 nan 0.000 0.442 565 N N 0.872 119.584 118.700 0.020 0.000 2.205 565 N HA -0.147 4.593 4.740 0.001 0.000 0.186 565 N C 1.345 176.877 175.510 0.035 0.000 1.015 565 N CA 1.327 54.387 53.050 0.016 0.000 0.862 565 N CB -0.230 38.257 38.487 0.001 0.000 0.986 565 N HN 0.286 nan 8.380 nan 0.000 0.429 566 A N -0.350 122.514 122.820 0.073 0.000 2.238 566 A HA 0.418 4.738 4.320 0.001 0.000 0.208 566 A C 1.428 179.078 177.584 0.109 0.000 1.177 566 A CA 0.759 52.871 52.037 0.126 0.000 0.804 566 A CB -0.283 18.845 19.000 0.213 0.000 0.823 566 A HN 0.313 nan 8.150 nan 0.000 0.482 567 G N -1.043 107.785 108.800 0.046 0.000 2.132 567 G HA2 -0.182 3.778 3.960 0.001 0.000 0.234 567 G HA3 -0.182 3.778 3.960 0.001 0.000 0.234 567 G C -0.113 174.679 174.900 -0.180 0.000 0.989 567 G CA 0.181 45.242 45.100 -0.065 0.000 0.676 567 G HN 0.699 nan 8.290 nan 0.000 0.522 568 H N -0.202 118.879 119.070 0.018 0.000 2.469 568 H HA 0.635 5.191 4.556 0.000 0.000 0.342 568 H C 0.191 175.526 175.328 0.012 0.000 1.115 568 H CA 0.090 56.150 56.048 0.021 0.000 1.204 568 H CB 2.006 31.786 29.762 0.029 0.000 1.492 568 H HN 0.483 nan 8.280 nan 0.000 0.499 569 A N 3.578 126.471 122.820 0.120 0.000 2.341 569 A HA 0.480 4.801 4.320 0.001 0.000 0.326 569 A C 0.010 177.641 177.584 0.079 0.000 1.402 569 A CA -0.559 51.522 52.037 0.074 0.000 0.957 569 A CB -0.383 18.643 19.000 0.043 0.000 1.151 569 A HN 0.444 nan 8.150 nan 0.000 0.533 570 V N 0.037 119.990 119.914 0.065 0.000 2.925 570 V HA 0.804 4.924 4.120 0.001 0.000 0.311 570 V C -0.279 175.837 176.094 0.037 0.000 1.104 570 V CA -0.595 61.736 62.300 0.051 0.000 0.954 570 V CB 1.594 33.441 31.823 0.041 0.000 1.022 570 V HN 0.520 nan 8.190 nan 0.000 0.427 571 T N 3.049 117.626 114.554 0.038 0.000 2.749 571 T HA 0.517 4.868 4.350 0.001 0.000 0.287 571 T C -0.038 174.694 174.700 0.053 0.000 0.970 571 T CA -0.284 61.841 62.100 0.041 0.000 0.980 571 T CB 1.192 70.085 68.868 0.042 0.000 0.924 571 T HN 0.721 nan 8.240 nan 0.000 0.456 572 V N 7.265 127.216 119.914 0.062 0.000 2.479 572 V HA 0.177 4.297 4.120 0.001 0.000 0.281 572 V C -1.765 174.409 176.094 0.132 0.000 1.031 572 V CA -1.584 60.777 62.300 0.102 0.000 1.038 572 V CB -0.016 31.879 31.823 0.120 0.000 0.981 572 V HN 0.719 nan 8.190 nan 0.000 0.478 573 P HA 0.256 nan 4.420 nan 0.000 0.269 573 P C -0.951 176.468 177.300 0.199 0.000 1.215 573 P CA -0.071 63.100 63.100 0.118 0.000 0.780 573 P CB 0.350 32.083 31.700 0.055 0.000 0.898 574 F N 0.826 120.779 119.950 0.004 0.000 2.605 574 F HA 0.597 5.125 4.527 0.001 0.000 0.320 574 F C -1.510 174.274 175.800 -0.027 0.000 1.159 574 F CA -0.815 57.179 58.000 -0.009 0.000 0.999 574 F CB 1.292 40.294 39.000 0.003 0.000 1.258 574 F HN 0.388 nan 8.300 nan 0.000 0.464 575 A N 8.033 130.340 122.820 -0.855 0.000 2.273 575 A HA 0.771 5.091 4.320 0.001 0.000 0.315 575 A C -2.752 174.235 177.584 -0.995 0.000 1.256 575 A CA -1.632 49.999 52.037 -0.677 0.000 0.851 575 A CB 0.266 19.025 19.000 -0.402 0.000 1.172 575 A HN 0.468 nan 8.150 nan 0.000 0.508 576 P HA 0.482 nan 4.420 nan 0.000 0.275 576 P C 0.800 177.982 177.300 -0.196 0.000 1.266 576 P CA 0.938 63.842 63.100 -0.327 0.000 0.793 576 P CB 0.946 32.652 31.700 0.011 0.000 1.074 577 G N -1.132 107.620 108.800 -0.080 0.000 2.260 577 G HA2 -0.145 3.815 3.960 0.001 0.000 0.179 577 G HA3 -0.145 3.815 3.960 0.001 0.000 0.179 577 G C 0.149 175.010 174.900 -0.064 0.000 1.002 577 G CA -0.538 44.516 45.100 -0.077 0.000 0.677 577 G HN 0.531 nan 8.290 nan 0.000 0.486 578 R N 0.861 121.330 120.500 -0.051 0.000 2.623 578 R HA 0.558 4.898 4.340 0.001 0.000 0.271 578 R C 0.543 176.849 176.300 0.009 0.000 1.043 578 R CA 0.780 56.863 56.100 -0.028 0.000 1.083 578 R CB 0.749 31.038 30.300 -0.018 0.000 0.974 578 R HN 0.539 nan 8.270 nan 0.000 0.436 579 A N 1.870 124.690 122.820 0.000 0.000 2.346 579 A HA 0.391 4.711 4.320 0.001 0.000 0.313 579 A C -1.101 176.492 177.584 0.015 0.000 1.140 579 A CA -0.925 51.125 52.037 0.021 0.000 0.826 579 A CB 1.170 20.171 19.000 0.001 0.000 1.332 579 A HN 0.608 nan 8.150 nan 0.000 0.457 580 D N 1.171 121.585 120.400 0.024 0.000 2.329 580 D HA 0.526 5.166 4.640 0.001 0.000 0.232 580 D C 0.088 176.389 176.300 0.001 0.000 1.088 580 D CA 0.355 54.361 54.000 0.011 0.000 0.835 580 D CB 1.625 42.435 40.800 0.017 0.000 1.078 580 D HN 0.694 nan 8.370 nan 0.000 0.495 581 A N 1.968 124.783 122.820 -0.009 0.000 2.286 581 A HA 0.573 4.893 4.320 0.001 0.000 0.286 581 A C 0.583 178.158 177.584 -0.015 0.000 1.097 581 A CA -0.545 51.484 52.037 -0.014 0.000 0.821 581 A CB 0.604 19.593 19.000 -0.019 0.000 1.076 581 A HN 0.508 nan 8.150 nan 0.000 0.490 582 S N 0.162 115.854 115.700 -0.014 0.000 2.672 582 S HA 0.312 4.783 4.470 0.001 0.000 0.276 582 S C 0.803 175.394 174.600 -0.015 0.000 1.207 582 S CA -0.102 58.091 58.200 -0.013 0.000 1.002 582 S CB 1.230 64.425 63.200 -0.009 0.000 0.998 582 S HN 0.713 nan 8.310 nan 0.000 0.542 583 Q N 0.632 120.423 119.800 -0.015 0.000 2.135 583 Q HA -0.140 4.200 4.340 0.001 0.000 0.204 583 Q C 1.533 177.530 176.000 -0.005 0.000 0.981 583 Q CA 2.134 57.928 55.803 -0.014 0.000 0.856 583 Q CB -0.545 28.185 28.738 -0.013 0.000 0.902 583 Q HN 0.864 nan 8.270 nan 0.000 0.425 584 E N -0.079 120.119 120.200 -0.003 0.000 2.204 584 E HA -0.139 4.211 4.350 0.001 0.000 0.194 584 E C 1.235 177.836 176.600 0.002 0.000 0.989 584 E CA 1.071 57.472 56.400 0.002 0.000 0.824 584 E CB 0.012 29.713 29.700 0.002 0.000 0.756 584 E HN 0.507 nan 8.360 nan 0.000 0.477 585 Q N -0.204 119.593 119.800 -0.006 0.000 2.280 585 Q HA 0.129 4.469 4.340 0.001 0.000 0.202 585 Q C -0.438 175.559 176.000 -0.006 0.000 0.903 585 Q CA 0.320 56.116 55.803 -0.012 0.000 0.948 585 Q CB 0.689 29.414 28.738 -0.022 0.000 1.058 585 Q HN -0.025 nan 8.270 nan 0.000 0.493 586 T N 0.930 115.486 114.554 0.003 0.000 2.892 586 T HA 0.077 4.427 4.350 0.001 0.000 0.311 586 T C -0.968 173.749 174.700 0.027 0.000 1.033 586 T CA -0.714 61.391 62.100 0.009 0.000 0.991 586 T CB 1.149 70.012 68.868 -0.009 0.000 0.981 586 T HN 0.009 nan 8.240 nan 0.000 0.457 587 D N 3.362 123.793 120.400 0.051 0.000 2.346 587 D HA 0.070 4.710 4.640 0.001 0.000 0.260 587 D C 1.250 177.595 176.300 0.074 0.000 1.252 587 D CA -0.126 53.918 54.000 0.072 0.000 0.895 587 D CB 1.173 42.036 40.800 0.106 0.000 1.097 587 D HN 0.194 nan 8.370 nan 0.000 0.489 588 V N 4.603 124.555 119.914 0.063 0.000 2.490 588 V HA -0.200 3.920 4.120 0.001 0.000 0.250 588 V C 2.084 178.239 176.094 0.101 0.000 1.061 588 V CA 1.422 63.762 62.300 0.067 0.000 1.064 588 V CB -0.219 31.634 31.823 0.051 0.000 0.670 588 V HN 0.549 nan 8.190 nan 0.000 0.461 589 E N -0.355 119.905 120.200 0.100 0.000 2.076 589 E HA -0.125 4.225 4.350 0.001 0.000 0.190 589 E C 2.389 179.062 176.600 0.121 0.000 0.979 589 E CA 1.370 57.834 56.400 0.107 0.000 0.807 589 E CB -0.729 29.028 29.700 0.095 0.000 0.761 589 E HN 0.519 nan 8.360 nan 0.000 0.454 590 S N 0.397 116.172 115.700 0.125 0.000 2.402 590 S HA -0.120 4.350 4.470 0.001 0.000 0.229 590 S C 1.850 176.538 174.600 0.148 0.000 1.021 590 S CA 0.939 59.221 58.200 0.137 0.000 0.974 590 S CB -0.073 63.217 63.200 0.151 0.000 0.800 590 S HN 0.064 nan 8.310 nan 0.000 0.484 591 M N 1.539 121.233 119.600 0.157 0.000 2.394 591 M HA 0.268 4.748 4.480 0.001 0.000 0.264 591 M C 1.850 178.345 176.300 0.326 0.000 1.073 591 M CA 0.924 56.347 55.300 0.205 0.000 1.111 591 M CB -0.754 31.930 32.600 0.141 0.000 1.401 591 M HN 0.370 nan 8.290 nan 0.000 0.448 592 A N -0.561 122.415 122.820 0.260 0.000 1.940 592 A HA -0.146 4.174 4.320 0.001 0.000 0.219 592 A C 2.027 179.676 177.584 0.108 0.000 1.176 592 A CA 2.053 54.234 52.037 0.240 0.000 0.631 592 A CB -1.440 17.654 19.000 0.157 0.000 0.814 592 A HN 0.558 nan 8.150 nan 0.000 0.446 593 V N -2.651 117.314 119.914 0.084 0.000 3.217 593 V HA 0.054 4.174 4.120 0.001 0.000 0.264 593 V C 1.798 177.877 176.094 -0.025 0.000 1.135 593 V CA 1.293 63.597 62.300 0.007 0.000 1.142 593 V CB -0.744 31.085 31.823 0.010 0.000 0.754 593 V HN 0.444 nan 8.190 nan 0.000 0.484 594 L N 0.513 121.766 121.223 0.050 0.000 2.554 594 L HA 0.209 4.549 4.340 0.001 0.000 0.226 594 L C 1.346 178.067 176.870 -0.247 0.000 1.137 594 L CA 0.372 55.235 54.840 0.038 0.000 0.863 594 L CB -0.355 41.845 42.059 0.235 0.000 0.985 594 L HN 0.464 nan 8.230 nan 0.000 0.451 595 E N 3.505 123.326 120.200 -0.631 0.000 2.417 595 E HA 0.005 4.356 4.350 0.001 0.000 0.261 595 E C -1.950 174.273 176.600 -0.628 0.000 1.000 595 E CA -1.531 54.035 56.400 -1.391 0.000 0.919 595 E CB 0.709 29.608 29.700 -1.336 0.000 0.955 595 E HN -0.018 nan 8.360 nan 0.000 0.455 596 P HA -0.003 nan 4.420 nan 0.000 0.247 596 P C 0.784 178.124 177.300 0.066 0.000 1.756 596 P CA -0.072 62.968 63.100 -0.100 0.000 1.117 596 P CB 0.397 32.115 31.700 0.030 0.000 1.869 597 V N 0.403 120.318 119.914 0.000 0.000 2.759 597 V HA 0.125 4.246 4.120 0.001 0.000 0.256 597 V C 0.847 177.011 176.094 0.116 0.000 1.080 597 V CA 1.172 63.529 62.300 0.094 0.000 1.101 597 V CB -1.072 30.760 31.823 0.015 0.000 0.698 597 V HN 0.413 nan 8.190 nan 0.000 0.477 598 A N 0.302 123.177 122.820 0.090 0.000 2.353 598 A HA 0.696 5.016 4.320 0.001 0.000 0.299 598 A C -1.219 176.480 177.584 0.191 0.000 1.089 598 A CA -0.242 51.861 52.037 0.111 0.000 0.736 598 A CB 1.461 20.480 19.000 0.031 0.000 1.195 598 A HN 0.299 nan 8.150 nan 0.000 0.447 599 D N 2.364 122.938 120.400 0.290 0.000 2.346 599 D HA 0.388 5.029 4.640 0.001 0.000 0.255 599 D C 1.185 177.637 176.300 0.253 0.000 1.276 599 D CA 0.376 54.581 54.000 0.340 0.000 0.941 599 D CB 1.025 42.092 40.800 0.445 0.000 1.199 599 D HN 0.504 nan 8.370 nan 0.000 0.537 600 G N 1.411 110.264 108.800 0.087 0.000 2.448 600 G HA2 -0.235 3.725 3.960 0.001 0.000 0.219 600 G HA3 -0.235 3.725 3.960 0.001 0.000 0.219 600 G C 1.232 176.039 174.900 -0.155 0.000 1.127 600 G CA 0.329 45.383 45.100 -0.077 0.000 0.766 600 G HN 0.495 nan 8.290 nan 0.000 0.552 601 F N 0.152 120.125 119.950 0.038 0.000 2.408 601 F HA 0.102 4.629 4.527 0.000 0.000 0.300 601 F C 2.587 178.244 175.800 -0.238 0.000 1.090 601 F CA 0.780 58.678 58.000 -0.169 0.000 1.427 601 F CB 0.197 39.024 39.000 -0.288 0.000 1.070 601 F HN 0.012 nan 8.300 nan 0.000 0.549 602 R N -0.361 120.206 120.500 0.111 0.000 2.543 602 R HA 0.093 4.433 4.340 0.001 0.000 0.323 602 R C 0.051 176.425 176.300 0.124 0.000 1.002 602 R CA -0.184 55.970 56.100 0.091 0.000 1.106 602 R CB -0.006 30.408 30.300 0.190 0.000 1.280 602 R HN -0.046 nan 8.270 nan 0.000 0.549 603 N N 1.013 119.767 118.700 0.091 0.000 2.716 603 N HA -0.281 4.459 4.740 0.001 0.000 0.250 603 N C -1.566 174.061 175.510 0.196 0.000 1.033 603 N CA 0.962 54.076 53.050 0.106 0.000 0.727 603 N CB -0.954 37.585 38.487 0.086 0.000 0.950 603 N HN 0.353 nan 8.380 nan 0.000 0.541 604 Y N -0.069 120.281 120.300 0.083 0.000 2.393 604 Y HA 0.683 5.233 4.550 0.000 0.000 0.341 604 Y C -0.745 175.215 175.900 0.100 0.000 0.988 604 Y CA -0.880 57.277 58.100 0.095 0.000 1.078 604 Y CB 1.085 39.613 38.460 0.114 0.000 1.203 604 Y HN 0.102 nan 8.280 nan 0.000 0.453 605 L N 7.313 128.210 121.223 -0.544 0.000 2.439 605 L HA 0.393 4.733 4.340 0.001 0.000 0.270 605 L C 0.668 177.087 176.870 -0.752 0.000 0.972 605 L CA -0.643 53.918 54.840 -0.465 0.000 0.836 605 L CB 2.214 44.157 42.059 -0.193 0.000 1.255 605 L HN 0.717 nan 8.230 nan 0.000 0.404 606 K N 1.787 121.817 120.400 -0.616 0.000 2.097 606 K HA 0.076 4.396 4.320 0.001 0.000 0.205 606 K C 0.712 177.162 176.600 -0.249 0.000 1.050 606 K CA 1.309 57.378 56.287 -0.364 0.000 0.938 606 K CB 0.316 32.812 32.500 -0.006 0.000 0.718 606 K HN 0.833 nan 8.250 nan 0.000 0.442 607 G N -0.443 108.106 108.800 -0.419 0.000 2.947 607 G HA2 0.293 4.253 3.960 0.001 0.000 0.293 607 G HA3 0.293 4.253 3.960 0.001 0.000 0.293 607 G C -1.499 172.847 174.900 -0.923 0.000 1.243 607 G CA -0.682 44.094 45.100 -0.539 0.000 0.802 607 G HN -0.101 nan 8.290 nan 0.000 0.560 608 K N 0.682 120.646 120.400 -0.726 0.000 2.234 608 K HA 0.441 4.761 4.320 0.001 0.000 0.277 608 K C -1.477 174.810 176.600 -0.521 0.000 1.038 608 K CA -0.086 55.891 56.287 -0.518 0.000 0.888 608 K CB 1.245 33.600 32.500 -0.242 0.000 1.091 608 K HN 0.505 nan 8.250 nan 0.000 0.467 609 Y N 0.691 120.958 120.300 -0.055 0.000 2.524 609 Y HA 0.283 4.833 4.550 0.001 0.000 0.344 609 Y C 1.317 177.185 175.900 -0.052 0.000 1.012 609 Y CA -1.188 56.877 58.100 -0.058 0.000 1.068 609 Y CB 1.507 39.924 38.460 -0.072 0.000 1.249 609 Y HN 0.344 nan 8.280 nan 0.000 0.468 610 R N 0.246 120.819 120.500 0.122 0.000 2.189 610 R HA 0.056 4.397 4.340 0.001 0.000 0.218 610 R C -0.329 175.981 176.300 0.017 0.000 1.074 610 R CA 0.207 56.332 56.100 0.041 0.000 0.991 610 R CB -0.259 30.052 30.300 0.017 0.000 0.883 610 R HN 0.369 nan 8.270 nan 0.000 0.457 611 V N 3.440 123.364 119.914 0.017 0.000 2.488 611 V HA 0.197 4.317 4.120 0.001 0.000 0.277 611 V C -2.072 174.028 176.094 0.010 0.000 1.046 611 V CA -1.991 60.290 62.300 -0.031 0.000 0.986 611 V CB 1.046 32.806 31.823 -0.104 0.000 0.989 611 V HN 0.076 nan 8.190 nan 0.000 0.475 612 P HA 0.121 nan 4.420 nan 0.000 0.267 612 P C 0.662 177.961 177.300 -0.000 0.000 1.200 612 P CA -0.031 63.072 63.100 0.006 0.000 0.772 612 P CB 0.748 32.447 31.700 -0.001 0.000 0.855 613 A N 3.367 126.195 122.820 0.014 0.000 1.940 613 A HA -0.215 4.105 4.320 0.001 0.000 0.219 613 A C 1.878 179.443 177.584 -0.032 0.000 1.176 613 A CA 1.643 53.686 52.037 0.010 0.000 0.631 613 A CB -0.971 18.041 19.000 0.020 0.000 0.814 613 A HN 0.698 nan 8.150 nan 0.000 0.446 614 E N 0.286 120.454 120.200 -0.053 0.000 2.150 614 E HA -0.111 4.239 4.350 0.001 0.000 0.193 614 E C 1.810 178.342 176.600 -0.113 0.000 0.985 614 E CA 1.564 57.900 56.400 -0.107 0.000 0.814 614 E CB -0.838 28.779 29.700 -0.138 0.000 0.752 614 E HN 0.345 nan 8.360 nan 0.000 0.466 615 V N 1.740 121.603 119.914 -0.084 0.000 2.427 615 V HA -0.191 3.929 4.120 0.001 0.000 0.248 615 V C 2.596 178.638 176.094 -0.087 0.000 1.051 615 V CA 1.267 63.515 62.300 -0.087 0.000 1.048 615 V CB -0.475 31.301 31.823 -0.079 0.000 0.666 615 V HN 0.206 nan 8.190 nan 0.000 0.456 616 L N -0.806 120.372 121.223 -0.075 0.000 2.156 616 L HA -0.111 4.229 4.340 0.001 0.000 0.208 616 L C 2.395 179.238 176.870 -0.046 0.000 1.095 616 L CA 0.815 55.614 54.840 -0.069 0.000 0.770 616 L CB -0.513 41.511 42.059 -0.059 0.000 0.914 616 L HN 0.342 nan 8.230 nan 0.000 0.439 617 L N -0.192 120.990 121.223 -0.069 0.000 1.989 617 L HA -0.185 4.155 4.340 0.001 0.000 0.211 617 L C 2.387 179.222 176.870 -0.057 0.000 1.071 617 L CA 1.807 56.582 54.840 -0.107 0.000 0.749 617 L CB -0.435 41.517 42.059 -0.179 0.000 0.890 617 L HN -0.090 nan 8.230 nan 0.000 0.431 618 V N -0.043 119.829 119.914 -0.071 0.000 2.407 618 V HA -0.296 3.824 4.120 0.001 0.000 0.248 618 V C 2.316 178.404 176.094 -0.010 0.000 1.055 618 V CA 1.875 64.147 62.300 -0.047 0.000 1.049 618 V CB -0.809 30.956 31.823 -0.096 0.000 0.662 618 V HN 0.613 nan 8.190 nan 0.000 0.455 619 D N 0.269 120.653 120.400 -0.027 0.000 2.092 619 D HA -0.256 4.385 4.640 0.001 0.000 0.193 619 D C 2.139 178.456 176.300 0.029 0.000 0.994 619 D CA 1.705 55.691 54.000 -0.023 0.000 0.828 619 D CB -0.117 40.645 40.800 -0.063 0.000 0.963 619 D HN 0.235 nan 8.370 nan 0.000 0.450 620 K N 0.314 120.761 120.400 0.077 0.000 2.032 620 K HA -0.039 4.282 4.320 0.001 0.000 0.209 620 K C 1.884 178.638 176.600 0.256 0.000 1.048 620 K CA 1.644 58.039 56.287 0.179 0.000 0.927 620 K CB -0.841 31.827 32.500 0.280 0.000 0.712 620 K HN 0.168 nan 8.250 nan 0.000 0.441 621 A N 0.650 123.655 122.820 0.308 0.000 1.908 621 A HA -0.218 4.102 4.320 0.001 0.000 0.218 621 A C 2.230 179.911 177.584 0.160 0.000 1.181 621 A CA 1.749 53.976 52.037 0.316 0.000 0.627 621 A CB -0.655 18.531 19.000 0.311 0.000 0.818 621 A HN 0.479 nan 8.150 nan 0.000 0.445 622 Q N -0.164 119.693 119.800 0.095 0.000 2.079 622 Q HA -0.104 4.236 4.340 0.001 0.000 0.200 622 Q C 2.081 178.120 176.000 0.065 0.000 0.974 622 Q CA 1.491 57.328 55.803 0.056 0.000 0.840 622 Q CB -0.281 28.467 28.738 0.016 0.000 0.898 622 Q HN 0.720 nan 8.270 nan 0.000 0.430 623 L N 0.306 121.562 121.223 0.056 0.000 2.131 623 L HA -0.155 4.185 4.340 0.001 0.000 0.210 623 L C 2.232 179.155 176.870 0.088 0.000 1.092 623 L CA 0.662 55.522 54.840 0.033 0.000 0.759 623 L CB -0.264 41.794 42.059 -0.001 0.000 0.903 623 L HN 0.182 nan 8.230 nan 0.000 0.435 624 L N -0.188 121.106 121.223 0.119 0.000 2.599 624 L HA -0.017 4.323 4.340 0.001 0.000 0.230 624 L C 1.207 178.153 176.870 0.126 0.000 1.141 624 L CA 0.667 55.589 54.840 0.136 0.000 0.877 624 L CB -0.698 41.398 42.059 0.062 0.000 1.009 624 L HN 0.549 nan 8.230 nan 0.000 0.447 625 T N -2.973 111.659 114.554 0.130 0.000 4.458 625 T HA -0.236 4.114 4.350 0.001 0.000 0.317 625 T C -0.012 174.741 174.700 0.087 0.000 0.916 625 T CA 0.533 62.701 62.100 0.114 0.000 2.068 625 T CB -2.641 66.306 68.868 0.132 0.000 1.908 625 T HN 0.202 nan 8.240 nan 0.000 0.934 626 L N 1.919 123.197 121.223 0.092 0.000 2.334 626 L HA 0.654 4.994 4.340 0.001 0.000 0.277 626 L C 1.356 178.286 176.870 0.099 0.000 1.075 626 L CA -0.511 54.387 54.840 0.097 0.000 0.804 626 L CB 1.440 43.575 42.059 0.127 0.000 1.174 626 L HN 0.550 nan 8.230 nan 0.000 0.438 627 S N 1.390 117.166 115.700 0.127 0.000 2.655 627 S HA 0.389 4.859 4.470 0.001 0.000 0.265 627 S C 1.061 175.778 174.600 0.194 0.000 1.240 627 S CA -0.148 58.156 58.200 0.174 0.000 0.986 627 S CB 1.420 64.784 63.200 0.274 0.000 0.985 627 S HN 0.686 nan 8.310 nan 0.000 0.562 628 A N 0.823 123.827 122.820 0.307 0.000 1.898 628 A HA 0.123 4.443 4.320 0.001 0.000 0.216 628 A C -0.406 177.356 177.584 0.297 0.000 1.181 628 A CA 1.298 53.503 52.037 0.280 0.000 0.620 628 A CB -2.135 17.073 19.000 0.346 0.000 0.819 628 A HN 0.714 nan 8.150 nan 0.000 0.442 629 P HA -0.145 nan 4.420 nan 0.000 0.215 629 P C 1.159 178.580 177.300 0.200 0.000 1.153 629 P CA 1.465 64.726 63.100 0.268 0.000 0.853 629 P CB -0.059 31.787 31.700 0.243 0.000 0.788 630 E N -0.898 119.405 120.200 0.171 0.000 2.051 630 E HA -0.196 4.154 4.350 0.001 0.000 0.192 630 E C 2.019 178.708 176.600 0.149 0.000 0.991 630 E CA 1.091 57.557 56.400 0.110 0.000 0.799 630 E CB -0.568 29.186 29.700 0.090 0.000 0.748 630 E HN 0.203 nan 8.360 nan 0.000 0.449 631 M N 0.684 120.430 119.600 0.243 0.000 2.108 631 M HA -0.197 4.283 4.480 0.001 0.000 0.261 631 M C 1.986 178.487 176.300 0.335 0.000 1.066 631 M CA 1.704 57.241 55.300 0.394 0.000 1.107 631 M CB -0.127 32.702 32.600 0.382 0.000 1.356 631 M HN 0.029 nan 8.290 nan 0.000 0.406 632 T N 0.427 115.146 114.554 0.274 0.000 2.701 632 T HA -0.095 4.255 4.350 0.001 0.000 0.263 632 T C 1.778 176.539 174.700 0.102 0.000 1.040 632 T CA 1.692 63.900 62.100 0.180 0.000 1.147 632 T CB -0.487 68.586 68.868 0.341 0.000 0.865 632 T HN 0.296 nan 8.240 nan 0.000 0.426 633 V N 1.813 121.716 119.914 -0.018 0.000 2.287 633 V HA -0.152 3.969 4.120 0.001 0.000 0.248 633 V C 2.439 178.664 176.094 0.218 0.000 1.053 633 V CA 1.510 63.772 62.300 -0.063 0.000 1.027 633 V CB -0.863 30.755 31.823 -0.343 0.000 0.646 633 V HN 0.295 nan 8.190 nan 0.000 0.447 634 L N -0.332 120.972 121.223 0.135 0.000 2.017 634 L HA -0.142 4.198 4.340 0.001 0.000 0.208 634 L C 2.241 179.216 176.870 0.175 0.000 1.073 634 L CA 1.903 56.833 54.840 0.149 0.000 0.745 634 L CB -0.560 41.496 42.059 -0.005 0.000 0.894 634 L HN 0.307 nan 8.230 nan 0.000 0.432 635 L N -1.082 120.201 121.223 0.101 0.000 2.056 635 L HA -0.036 4.305 4.340 0.001 0.000 0.207 635 L C 2.289 178.817 176.870 -0.571 0.000 1.078 635 L CA 1.609 56.338 54.840 -0.186 0.000 0.749 635 L CB -0.908 40.918 42.059 -0.389 0.000 0.901 635 L HN 0.369 nan 8.230 nan 0.000 0.433 636 G N -0.964 107.458 108.800 -0.630 0.000 2.422 636 G HA2 -0.218 3.743 3.960 0.001 0.000 0.218 636 G HA3 -0.218 3.743 3.960 0.001 0.000 0.218 636 G C 1.413 176.037 174.900 -0.460 0.000 1.146 636 G CA 0.620 45.106 45.100 -1.022 0.000 0.769 636 G HN 0.563 nan 8.290 nan 0.000 0.547 637 G N 0.680 109.460 108.800 -0.034 0.000 2.395 637 G HA2 -0.051 3.910 3.960 0.001 0.000 0.214 637 G HA3 -0.051 3.910 3.960 0.001 0.000 0.214 637 G C 1.791 176.513 174.900 -0.297 0.000 1.177 637 G CA 0.470 45.457 45.100 -0.189 0.000 0.794 637 G HN 0.393 nan 8.290 nan 0.000 0.532 638 L N 0.061 121.209 121.223 -0.124 0.000 2.079 638 L HA -0.099 4.241 4.340 0.001 0.000 0.210 638 L C 3.211 179.936 176.870 -0.242 0.000 1.081 638 L CA 0.802 55.543 54.840 -0.164 0.000 0.752 638 L CB -0.287 41.649 42.059 -0.205 0.000 0.896 638 L HN 0.084 nan 8.230 nan 0.000 0.433 639 R N -0.015 120.276 120.500 -0.347 0.000 2.080 639 R HA -0.147 4.193 4.340 0.001 0.000 0.236 639 R C 2.187 178.342 176.300 -0.243 0.000 1.137 639 R CA 1.919 57.811 56.100 -0.347 0.000 0.943 639 R CB -1.077 28.888 30.300 -0.559 0.000 0.846 639 R HN 0.459 nan 8.270 nan 0.000 0.431 640 V N -1.354 118.414 119.914 -0.243 0.000 3.217 640 V HA 0.019 4.139 4.120 0.001 0.000 0.264 640 V C 1.950 177.953 176.094 -0.151 0.000 1.135 640 V CA 1.108 63.306 62.300 -0.170 0.000 1.142 640 V CB -0.519 31.207 31.823 -0.161 0.000 0.754 640 V HN 0.106 nan 8.190 nan 0.000 0.484 641 L N 1.323 122.436 121.223 -0.184 0.000 2.558 641 L HA 0.463 4.803 4.340 0.001 0.000 0.225 641 L C 1.793 178.600 176.870 -0.104 0.000 1.128 641 L CA 0.756 55.500 54.840 -0.161 0.000 0.868 641 L CB -0.471 41.459 42.059 -0.215 0.000 1.006 641 L HN 0.609 nan 8.230 nan 0.000 0.454 642 G N 0.077 108.821 108.800 -0.094 0.000 2.165 642 G HA2 -0.265 3.695 3.960 0.001 0.000 0.226 642 G HA3 -0.265 3.695 3.960 0.001 0.000 0.226 642 G C 0.773 175.650 174.900 -0.038 0.000 1.035 642 G CA 0.227 45.293 45.100 -0.056 0.000 0.744 642 G HN 0.390 nan 8.290 nan 0.000 0.501 643 A N -0.559 122.226 122.820 -0.059 0.000 2.167 643 A HA 0.279 4.600 4.320 0.001 0.000 0.214 643 A C 1.242 178.823 177.584 -0.006 0.000 1.151 643 A CA 0.711 52.731 52.037 -0.027 0.000 0.735 643 A CB -0.119 18.833 19.000 -0.079 0.000 0.802 643 A HN 0.487 nan 8.150 nan 0.000 0.467 644 N N 0.420 119.108 118.700 -0.020 0.000 2.412 644 N HA 0.160 4.900 4.740 0.001 0.000 0.254 644 N C -0.153 175.384 175.510 0.045 0.000 1.232 644 N CA 0.187 53.246 53.050 0.015 0.000 0.880 644 N CB 0.605 39.094 38.487 0.003 0.000 1.076 644 N HN 0.036 nan 8.380 nan 0.000 0.458 645 V N 1.553 121.513 119.914 0.077 0.000 2.673 645 V HA 0.188 4.308 4.120 0.001 0.000 0.303 645 V C 1.501 177.638 176.094 0.072 0.000 1.046 645 V CA 1.028 63.366 62.300 0.064 0.000 1.126 645 V CB 0.354 32.197 31.823 0.034 0.000 0.934 645 V HN 0.974 nan 8.190 nan 0.000 0.487 646 G N 3.736 112.567 108.800 0.052 0.000 2.153 646 G HA2 -0.272 3.688 3.960 0.001 0.000 0.252 646 G HA3 -0.272 3.688 3.960 0.001 0.000 0.252 646 G C 0.384 175.300 174.900 0.026 0.000 0.994 646 G CA 0.255 45.383 45.100 0.047 0.000 0.698 646 G HN 0.834 nan 8.290 nan 0.000 0.521 647 Q N -1.276 118.536 119.800 0.020 0.000 2.407 647 Q HA -0.223 4.117 4.340 0.001 0.000 0.277 647 Q C 0.972 176.965 176.000 -0.013 0.000 1.161 647 Q CA 1.424 57.231 55.803 0.006 0.000 0.924 647 Q CB -1.792 26.951 28.738 0.008 0.000 1.318 647 Q HN 1.500 nan 8.270 nan 0.000 0.513 648 S N -0.127 115.560 115.700 -0.022 0.000 2.558 648 S HA 0.055 4.525 4.470 0.001 0.000 0.288 648 S C 1.288 175.839 174.600 -0.081 0.000 1.318 648 S CA -0.028 58.119 58.200 -0.089 0.000 1.056 648 S CB 0.529 63.685 63.200 -0.073 0.000 0.853 648 S HN 0.297 nan 8.310 nan 0.000 0.505 649 R N 2.353 122.781 120.500 -0.120 0.000 2.317 649 R HA 0.072 4.412 4.340 0.001 0.000 0.208 649 R C -0.160 176.193 176.300 0.088 0.000 0.914 649 R CA -0.020 56.081 56.100 0.002 0.000 1.060 649 R CB -0.444 29.897 30.300 0.068 0.000 1.015 649 R HN 0.657 nan 8.270 nan 0.000 0.498 650 H N 1.020 120.152 119.070 0.103 0.000 3.091 650 H HA 0.088 4.644 4.556 0.001 0.000 0.289 650 H C 1.518 176.819 175.328 -0.045 0.000 0.995 650 H CA 0.995 57.114 56.048 0.118 0.000 1.461 650 H CB 0.297 30.131 29.762 0.120 0.000 1.510 650 H HN 0.468 nan 8.280 nan 0.000 0.546 651 G N 2.639 111.393 108.800 -0.078 0.000 2.176 651 G HA2 -0.285 3.676 3.960 0.001 0.000 0.253 651 G HA3 -0.285 3.676 3.960 0.001 0.000 0.253 651 G C 0.330 174.640 174.900 -0.982 0.000 0.979 651 G CA 0.185 44.758 45.100 -0.879 0.000 0.641 651 G HN 0.548 nan 8.290 nan 0.000 0.530 652 V N 2.040 121.717 119.914 -0.396 0.000 2.071 652 V HA 0.339 4.460 4.120 0.001 0.000 0.254 652 V C 0.533 176.561 176.094 -0.110 0.000 1.456 652 V CA -0.030 62.150 62.300 -0.200 0.000 1.383 652 V CB -0.795 31.007 31.823 -0.035 0.000 1.433 652 V HN 0.330 nan 8.190 nan 0.000 0.499 653 F N 2.137 121.896 119.950 -0.318 0.000 2.606 653 F HA 0.412 4.939 4.527 0.000 0.000 0.347 653 F C 0.856 176.269 175.800 -0.646 0.000 1.207 653 F CA -0.223 57.158 58.000 -1.032 0.000 1.306 653 F CB 0.485 38.767 39.000 -1.196 0.000 1.657 653 F HN 0.371 nan 8.300 nan 0.000 0.606 654 T N -0.123 114.401 114.554 -0.051 0.000 2.932 654 T HA 0.553 4.903 4.350 0.001 0.000 0.318 654 T C 0.083 174.941 174.700 0.264 0.000 1.265 654 T CA -0.237 61.925 62.100 0.104 0.000 1.036 654 T CB 1.716 70.594 68.868 0.017 0.000 1.209 654 T HN 0.275 nan 8.240 nan 0.000 0.484 655 A N 3.159 126.116 122.820 0.229 0.000 2.308 655 A HA 0.319 4.639 4.320 0.001 0.000 0.217 655 A C 0.865 178.506 177.584 0.095 0.000 1.216 655 A CA -0.196 51.942 52.037 0.168 0.000 0.864 655 A CB -0.044 19.041 19.000 0.142 0.000 0.902 655 A HN 0.687 nan 8.150 nan 0.000 0.499 656 R N 0.771 121.315 120.500 0.074 0.000 2.868 656 R HA 0.364 4.704 4.340 0.001 0.000 0.289 656 R C -0.538 175.773 176.300 0.018 0.000 1.443 656 R CA -0.404 55.720 56.100 0.040 0.000 1.651 656 R CB 0.292 30.612 30.300 0.033 0.000 1.242 656 R HN 0.388 nan 8.270 nan 0.000 0.621 657 E N 1.971 122.183 120.200 0.020 0.000 2.392 657 E HA -0.073 4.277 4.350 0.001 0.000 0.264 657 E C -0.234 176.353 176.600 -0.021 0.000 1.024 657 E CA 0.335 56.732 56.400 -0.004 0.000 0.903 657 E CB 0.506 30.211 29.700 0.009 0.000 0.963 657 E HN 0.481 nan 8.360 nan 0.000 0.432 658 Q N -1.094 118.677 119.800 -0.048 0.000 2.460 658 Q HA -0.249 4.091 4.340 0.001 0.000 0.248 658 Q C -0.984 174.981 176.000 -0.057 0.000 0.847 658 Q CA 0.638 56.404 55.803 -0.061 0.000 1.214 658 Q CB -1.688 27.024 28.738 -0.043 0.000 1.523 658 Q HN 0.494 nan 8.270 nan 0.000 0.602 659 A N 0.721 123.513 122.820 -0.046 0.000 2.317 659 A HA 0.639 4.959 4.320 0.001 0.000 0.327 659 A C -0.390 177.163 177.584 -0.053 0.000 1.178 659 A CA -0.571 51.448 52.037 -0.031 0.000 0.817 659 A CB 0.944 19.946 19.000 0.003 0.000 1.189 659 A HN 0.192 nan 8.150 nan 0.000 0.489 660 L N 3.714 124.907 121.223 -0.051 0.000 2.356 660 L HA 0.466 4.807 4.340 0.001 0.000 0.282 660 L C 0.555 177.474 176.870 0.081 0.000 1.132 660 L CA 0.802 55.607 54.840 -0.058 0.000 0.923 660 L CB -0.255 41.705 42.059 -0.164 0.000 1.278 660 L HN 0.859 nan 8.230 nan 0.000 0.436 661 T N 0.073 114.664 114.554 0.060 0.000 2.887 661 T HA 0.393 4.743 4.350 0.001 0.000 0.292 661 T C 0.542 175.025 174.700 -0.362 0.000 1.087 661 T CA -0.555 61.546 62.100 0.001 0.000 1.009 661 T CB 1.211 70.076 68.868 -0.005 0.000 1.203 661 T HN 0.465 nan 8.240 nan 0.000 0.518 662 N N 0.001 118.430 118.700 -0.451 0.000 2.362 662 N HA 0.051 4.791 4.740 0.001 0.000 0.211 662 N C 0.271 175.686 175.510 -0.158 0.000 1.170 662 N CA -0.086 52.642 53.050 -0.536 0.000 0.828 662 N CB -0.340 37.997 38.487 -0.251 0.000 1.034 662 N HN 0.545 nan 8.380 nan 0.000 0.475 663 D N 0.573 120.881 120.400 -0.153 0.000 2.182 663 D HA -0.158 4.482 4.640 0.001 0.000 0.201 663 D C 1.211 177.435 176.300 -0.127 0.000 0.986 663 D CA 0.657 54.606 54.000 -0.085 0.000 0.847 663 D CB -0.328 40.438 40.800 -0.057 0.000 0.942 663 D HN 0.333 nan 8.370 nan 0.000 0.467 664 F N 0.466 120.181 119.950 -0.393 0.000 2.091 664 F HA -0.251 4.276 4.527 0.000 0.000 0.299 664 F C 1.900 177.481 175.800 -0.365 0.000 1.103 664 F CA 1.538 59.251 58.000 -0.479 0.000 1.228 664 F CB -0.478 37.996 39.000 -0.877 0.000 0.984 664 F HN -0.094 nan 8.300 nan 0.000 0.477 665 F N -0.577 119.359 119.950 -0.024 0.000 2.128 665 F HA -0.126 4.401 4.527 0.001 0.000 0.295 665 F C 2.348 178.091 175.800 -0.094 0.000 1.100 665 F CA 1.185 59.156 58.000 -0.048 0.000 1.260 665 F CB -1.262 37.777 39.000 0.065 0.000 1.009 665 F HN -0.239 nan 8.300 nan 0.000 0.476 666 V N 0.529 120.497 119.914 0.089 0.000 2.343 666 V HA -0.280 3.840 4.120 0.001 0.000 0.247 666 V C 2.091 178.176 176.094 -0.016 0.000 1.051 666 V CA 1.958 64.285 62.300 0.045 0.000 1.036 666 V CB -0.613 31.236 31.823 0.043 0.000 0.654 666 V HN 0.367 nan 8.190 nan 0.000 0.451 667 N N -0.107 118.534 118.700 -0.099 0.000 2.216 667 N HA -0.076 4.664 4.740 0.001 0.000 0.183 667 N C 1.722 177.066 175.510 -0.278 0.000 1.017 667 N CA 1.078 54.031 53.050 -0.163 0.000 0.861 667 N CB -0.338 37.954 38.487 -0.326 0.000 0.986 667 N HN 0.387 nan 8.380 nan 0.000 0.428 668 L N 1.283 122.268 121.223 -0.396 0.000 2.042 668 L HA -0.030 4.310 4.340 0.001 0.000 0.210 668 L C 1.634 178.425 176.870 -0.132 0.000 1.076 668 L CA 1.481 56.083 54.840 -0.397 0.000 0.749 668 L CB -0.426 41.329 42.059 -0.507 0.000 0.893 668 L HN 0.096 nan 8.230 nan 0.000 0.432 669 L N -0.500 120.690 121.223 -0.055 0.000 2.612 669 L HA 0.088 4.429 4.340 0.001 0.000 0.230 669 L C 0.180 177.070 176.870 0.033 0.000 1.140 669 L CA -0.222 54.625 54.840 0.011 0.000 0.896 669 L CB -0.582 41.504 42.059 0.044 0.000 1.065 669 L HN 0.188 nan 8.230 nan 0.000 0.447 670 D N 0.853 121.276 120.400 0.038 0.000 2.338 670 D HA -0.011 4.629 4.640 0.001 0.000 0.255 670 D C 0.917 177.256 176.300 0.064 0.000 1.237 670 D CA -0.061 53.970 54.000 0.051 0.000 0.883 670 D CB 1.263 42.100 40.800 0.061 0.000 1.087 670 D HN -0.079 nan 8.370 nan 0.000 0.485 671 M N 3.333 122.960 119.600 0.045 0.000 2.549 671 M HA 0.121 4.601 4.480 0.001 0.000 0.260 671 M C 1.730 178.041 176.300 0.019 0.000 1.076 671 M CA 0.815 56.140 55.300 0.041 0.000 1.090 671 M CB -0.272 32.343 32.600 0.026 0.000 1.418 671 M HN 0.415 nan 8.290 nan 0.000 0.486 672 G N -0.986 107.817 108.800 0.006 0.000 2.679 672 G HA2 -0.032 3.929 3.960 0.001 0.000 0.212 672 G HA3 -0.032 3.929 3.960 0.001 0.000 0.212 672 G C 0.341 175.204 174.900 -0.061 0.000 1.137 672 G CA 0.466 45.552 45.100 -0.024 0.000 0.787 672 G HN 0.454 nan 8.290 nan 0.000 0.534 673 T N 0.258 114.776 114.554 -0.061 0.000 2.795 673 T HA 0.466 4.816 4.350 0.001 0.000 0.282 673 T C -0.601 173.981 174.700 -0.197 0.000 0.980 673 T CA -0.465 61.519 62.100 -0.193 0.000 1.012 673 T CB 2.391 71.110 68.868 -0.247 0.000 0.936 673 T HN 0.309 nan 8.240 nan 0.000 0.457 674 E N 2.363 122.391 120.200 -0.286 0.000 2.183 674 E HA 0.403 4.753 4.350 0.001 0.000 0.271 674 E C -1.462 174.968 176.600 -0.283 0.000 0.919 674 E CA -0.876 55.434 56.400 -0.150 0.000 0.781 674 E CB 1.103 30.759 29.700 -0.073 0.000 1.140 674 E HN 0.573 nan 8.360 nan 0.000 0.402 675 W N 3.361 124.674 121.300 0.023 0.000 2.573 675 W HA 0.484 5.144 4.660 0.001 0.000 0.326 675 W C -0.327 176.267 176.519 0.126 0.000 1.049 675 W CA -0.686 56.700 57.345 0.068 0.000 1.220 675 W CB 1.687 31.158 29.460 0.017 0.000 1.373 675 W HN 0.277 nan 8.180 nan 0.000 0.507 676 K N 3.548 124.195 120.400 0.412 0.000 2.498 676 K HA 0.391 4.711 4.320 0.001 0.000 0.254 676 K C -2.639 174.144 176.600 0.304 0.000 0.933 676 K CA -1.947 54.527 56.287 0.311 0.000 0.806 676 K CB 2.641 35.228 32.500 0.146 0.000 1.301 676 K HN 0.045 nan 8.250 nan 0.000 0.432 677 P HA -0.034 nan 4.420 nan 0.000 0.271 677 P C -0.278 176.936 177.300 -0.144 0.000 1.218 677 P CA -0.138 62.797 63.100 -0.276 0.000 0.780 677 P CB 0.370 31.884 31.700 -0.309 0.000 0.901 678 T N -1.233 113.204 114.554 -0.194 0.000 2.868 678 T HA 0.359 4.710 4.350 0.001 0.000 0.292 678 T C 1.527 176.177 174.700 -0.083 0.000 1.028 678 T CA -0.086 61.962 62.100 -0.087 0.000 1.059 678 T CB 0.625 69.454 68.868 -0.064 0.000 0.991 678 T HN 0.410 nan 8.240 nan 0.000 0.531 679 A N 1.933 124.727 122.820 -0.043 0.000 1.877 679 A HA 0.194 4.515 4.320 0.001 0.000 0.216 679 A C 2.677 180.238 177.584 -0.038 0.000 1.186 679 A CA 1.684 53.700 52.037 -0.035 0.000 0.620 679 A CB -1.551 17.438 19.000 -0.018 0.000 0.822 679 A HN 1.268 nan 8.150 nan 0.000 0.443 680 A N -1.461 121.341 122.820 -0.031 0.000 1.908 680 A HA -0.044 4.276 4.320 0.001 0.000 0.218 680 A C 0.937 178.494 177.584 -0.045 0.000 1.181 680 A CA 1.857 53.878 52.037 -0.027 0.000 0.627 680 A CB -0.163 18.831 19.000 -0.010 0.000 0.818 680 A HN 0.464 nan 8.150 nan 0.000 0.445 681 D N -3.251 117.104 120.400 -0.074 0.000 2.764 681 D HA 0.517 5.158 4.640 0.001 0.000 0.227 681 D C 0.223 176.410 176.300 -0.188 0.000 1.347 681 D CA 0.265 54.203 54.000 -0.102 0.000 0.953 681 D CB 1.395 42.148 40.800 -0.078 0.000 1.476 681 D HN 0.055 nan 8.370 nan 0.000 0.585 682 A N 3.011 125.721 122.820 -0.184 0.000 2.209 682 A HA -0.022 4.298 4.320 0.001 0.000 0.212 682 A C 1.070 178.406 177.584 -0.413 0.000 1.158 682 A CA 0.785 52.664 52.037 -0.264 0.000 0.742 682 A CB 0.148 19.066 19.000 -0.137 0.000 0.790 682 A HN 0.492 nan 8.150 nan 0.000 0.472 683 D N -0.725 119.498 120.400 -0.295 0.000 2.349 683 D HA 0.201 4.842 4.640 0.001 0.000 0.214 683 D C -0.275 175.909 176.300 -0.193 0.000 1.063 683 D CA 0.397 54.291 54.000 -0.177 0.000 0.847 683 D CB 0.774 41.541 40.800 -0.054 0.000 0.933 683 D HN 0.155 nan 8.370 nan 0.000 0.513 684 V N 1.223 120.890 119.914 -0.412 0.000 2.604 684 V HA 0.410 4.530 4.120 0.001 0.000 0.305 684 V C -0.757 175.085 176.094 -0.420 0.000 1.043 684 V CA -0.732 61.403 62.300 -0.275 0.000 0.888 684 V CB 1.813 33.505 31.823 -0.218 0.000 0.995 684 V HN -0.160 nan 8.190 nan 0.000 0.429 685 F N 1.442 121.431 119.950 0.065 0.000 2.551 685 F HA 0.559 5.087 4.527 0.001 0.000 0.316 685 F C 0.370 176.366 175.800 0.326 0.000 1.089 685 F CA -0.863 57.261 58.000 0.207 0.000 0.915 685 F CB 1.724 40.883 39.000 0.265 0.000 1.186 685 F HN 0.415 nan 8.300 nan 0.000 0.456 686 E N 0.939 121.381 120.200 0.404 0.000 2.197 686 E HA 0.544 4.895 4.350 0.001 0.000 0.281 686 E C -0.174 176.454 176.600 0.046 0.000 0.995 686 E CA -0.731 55.812 56.400 0.237 0.000 0.808 686 E CB 1.741 31.496 29.700 0.092 0.000 1.093 686 E HN 0.802 nan 8.360 nan 0.000 0.394 687 G N 3.137 111.693 108.800 -0.407 0.000 2.384 687 G HA2 0.410 4.370 3.960 0.001 0.000 0.316 687 G HA3 0.410 4.370 3.960 0.001 0.000 0.316 687 G C -0.396 174.108 174.900 -0.661 0.000 1.160 687 G CA -0.529 43.795 45.100 -1.295 0.000 0.936 687 G HN 0.320 nan 8.290 nan 0.000 0.455 688 R N 1.879 122.071 120.500 -0.512 0.000 2.637 688 R HA 0.241 4.581 4.340 0.001 0.000 0.291 688 R C -0.670 175.451 176.300 -0.298 0.000 0.963 688 R CA -0.932 54.970 56.100 -0.329 0.000 0.901 688 R CB 2.120 32.295 30.300 -0.207 0.000 1.160 688 R HN 0.579 nan 8.270 nan 0.000 0.457 689 D N 2.051 122.303 120.400 -0.247 0.000 2.586 689 D HA -0.104 4.536 4.640 0.001 0.000 0.234 689 D C 0.842 177.060 176.300 -0.137 0.000 1.132 689 D CA 0.647 54.538 54.000 -0.181 0.000 0.860 689 D CB 0.818 41.525 40.800 -0.155 0.000 1.159 689 D HN 0.442 nan 8.370 nan 0.000 0.490 690 R N 3.111 123.544 120.500 -0.112 0.000 2.115 690 R HA -0.136 4.204 4.340 0.001 0.000 0.230 690 R C 1.888 178.151 176.300 -0.062 0.000 1.111 690 R CA 1.470 57.522 56.100 -0.079 0.000 0.976 690 R CB 0.029 30.294 30.300 -0.058 0.000 0.870 690 R HN 0.556 nan 8.270 nan 0.000 0.445 691 A N -0.311 122.472 122.820 -0.062 0.000 1.843 691 A HA -0.112 4.209 4.320 0.001 0.000 0.213 691 A C 2.125 179.676 177.584 -0.055 0.000 1.202 691 A CA 1.777 53.784 52.037 -0.051 0.000 0.607 691 A CB -0.747 18.225 19.000 -0.047 0.000 0.847 691 A HN 0.519 nan 8.150 nan 0.000 0.445 692 T N -4.749 109.764 114.554 -0.067 0.000 3.057 692 T HA 0.388 4.739 4.350 0.001 0.000 0.254 692 T C 1.465 176.122 174.700 -0.072 0.000 1.094 692 T CA 1.202 63.262 62.100 -0.066 0.000 1.088 692 T CB 0.156 68.980 68.868 -0.073 0.000 0.934 692 T HN 1.791 nan 8.240 nan 0.000 0.497 693 G N 1.539 110.288 108.800 -0.085 0.000 2.184 693 G HA2 -0.300 3.660 3.960 0.001 0.000 0.264 693 G HA3 -0.300 3.660 3.960 0.001 0.000 0.264 693 G C -0.130 174.707 174.900 -0.105 0.000 0.975 693 G CA 0.381 45.428 45.100 -0.088 0.000 0.642 693 G HN 0.962 nan 8.290 nan 0.000 0.536 694 E N 0.140 120.268 120.200 -0.121 0.000 2.392 694 E HA 0.374 4.725 4.350 0.001 0.000 0.264 694 E C 0.313 176.803 176.600 -0.183 0.000 1.024 694 E CA -0.864 55.454 56.400 -0.137 0.000 0.903 694 E CB 0.385 30.000 29.700 -0.141 0.000 0.963 694 E HN 0.305 nan 8.360 nan 0.000 0.432 695 L N 4.986 126.109 121.223 -0.168 0.000 2.361 695 L HA 0.107 4.448 4.340 0.001 0.000 0.278 695 L C 0.420 177.116 176.870 -0.290 0.000 1.113 695 L CA 0.741 55.467 54.840 -0.190 0.000 0.849 695 L CB 0.599 42.592 42.059 -0.110 0.000 1.155 695 L HN 0.660 nan 8.230 nan 0.000 0.452 696 K N 3.462 123.604 120.400 -0.431 0.000 2.286 696 K HA 0.232 4.552 4.320 0.001 0.000 0.203 696 K C -0.784 175.330 176.600 -0.811 0.000 1.078 696 K CA 0.535 56.335 56.287 -0.812 0.000 0.957 696 K CB 0.380 32.243 32.500 -1.061 0.000 1.018 696 K HN 0.557 nan 8.250 nan 0.000 0.484 697 W N 0.574 121.810 121.300 -0.107 0.000 3.118 697 W HA 0.274 4.934 4.660 0.001 0.000 0.328 697 W C -0.652 175.984 176.519 0.194 0.000 1.239 697 W CA -1.097 56.303 57.345 0.092 0.000 1.176 697 W CB 1.155 30.663 29.460 0.079 0.000 1.433 697 W HN -0.187 nan 8.180 nan 0.000 0.562 698 T N -0.653 114.315 114.554 0.690 0.000 2.924 698 T HA 0.946 5.296 4.350 0.001 0.000 0.291 698 T C -0.363 174.834 174.700 0.828 0.000 1.045 698 T CA -0.621 61.888 62.100 0.681 0.000 1.015 698 T CB 1.957 71.173 68.868 0.580 0.000 1.103 698 T HN 0.910 nan 8.240 nan 0.000 0.496 699 G N 0.469 109.639 108.800 0.616 0.000 2.692 699 G HA2 0.653 4.613 3.960 0.001 0.000 0.291 699 G HA3 0.653 4.613 3.960 0.001 0.000 0.291 699 G C -0.452 174.569 174.900 0.202 0.000 1.423 699 G CA -0.380 44.964 45.100 0.407 0.000 0.843 699 G HN 1.081 nan 8.290 nan 0.000 0.486 700 T N -2.167 112.462 114.554 0.125 0.000 2.910 700 T HA 0.401 4.751 4.350 0.001 0.000 0.279 700 T C 1.409 176.203 174.700 0.156 0.000 0.989 700 T CA -0.576 61.611 62.100 0.144 0.000 0.968 700 T CB 1.757 70.667 68.868 0.070 0.000 1.135 700 T HN 0.468 nan 8.240 nan 0.000 0.562 701 R N -0.342 120.278 120.500 0.200 0.000 2.117 701 R HA -0.070 4.271 4.340 0.001 0.000 0.243 701 R C 2.287 178.573 176.300 -0.024 0.000 1.143 701 R CA 1.287 57.423 56.100 0.060 0.000 0.968 701 R CB -1.043 29.317 30.300 0.100 0.000 0.863 701 R HN 0.475 nan 8.270 nan 0.000 0.444 702 V N 1.581 121.505 119.914 0.017 0.000 2.427 702 V HA -0.223 3.898 4.120 0.001 0.000 0.248 702 V C 1.637 177.810 176.094 0.133 0.000 1.051 702 V CA 1.834 64.147 62.300 0.022 0.000 1.048 702 V CB -0.387 31.438 31.823 0.003 0.000 0.666 702 V HN 0.292 nan 8.190 nan 0.000 0.456 703 D N -0.039 120.433 120.400 0.120 0.000 2.084 703 D HA -0.099 4.541 4.640 0.001 0.000 0.196 703 D C 1.927 178.357 176.300 0.218 0.000 0.985 703 D CA 1.092 55.236 54.000 0.241 0.000 0.826 703 D CB -0.106 40.783 40.800 0.148 0.000 0.978 703 D HN 0.287 nan 8.370 nan 0.000 0.456 704 L N 0.688 121.857 121.223 -0.090 0.000 2.395 704 L HA -0.031 4.310 4.340 0.001 0.000 0.218 704 L C 2.244 178.971 176.870 -0.239 0.000 1.130 704 L CA 0.520 55.154 54.840 -0.344 0.000 0.826 704 L CB -0.256 41.367 42.059 -0.727 0.000 0.941 704 L HN -0.104 nan 8.230 nan 0.000 0.451 705 V N -1.043 118.765 119.914 -0.177 0.000 2.594 705 V HA -0.269 3.851 4.120 0.001 0.000 0.253 705 V C 2.148 178.081 176.094 -0.268 0.000 1.069 705 V CA 1.606 63.754 62.300 -0.253 0.000 1.082 705 V CB -0.367 31.252 31.823 -0.339 0.000 0.680 705 V HN 0.371 nan 8.190 nan 0.000 0.469 706 F N 0.873 120.823 119.950 0.000 0.000 2.451 706 F HA 0.101 4.629 4.527 0.000 0.000 0.299 706 F C 2.121 177.945 175.800 0.039 0.000 1.101 706 F CA 1.174 59.224 58.000 0.084 0.000 1.436 706 F CB -0.452 38.687 39.000 0.231 0.000 1.074 706 F HN 0.314 nan 8.300 nan 0.000 0.553 707 G N -2.190 106.640 108.800 0.050 0.000 3.159 707 G HA2 0.067 4.027 3.960 0.001 0.000 0.232 707 G HA3 0.067 4.027 3.960 0.001 0.000 0.232 707 G C 1.309 176.160 174.900 -0.082 0.000 1.116 707 G CA 0.673 45.751 45.100 -0.037 0.000 0.767 707 G HN 0.315 nan 8.290 nan 0.000 0.547 708 S N -0.872 114.775 115.700 -0.088 0.000 2.891 708 S HA 0.125 4.595 4.470 0.001 0.000 0.247 708 S C 0.745 175.298 174.600 -0.078 0.000 1.063 708 S CA -0.340 57.795 58.200 -0.108 0.000 0.857 708 S CB -0.287 62.824 63.200 -0.149 0.000 0.800 708 S HN 0.333 nan 8.310 nan 0.000 0.540 709 H N 2.639 121.619 119.070 -0.151 0.000 2.886 709 H HA 0.162 4.718 4.556 0.000 0.000 0.329 709 H C 1.435 176.705 175.328 -0.098 0.000 1.044 709 H CA 1.024 56.989 56.048 -0.139 0.000 1.456 709 H CB 1.290 30.952 29.762 -0.166 0.000 1.464 709 H HN 0.506 nan 8.280 nan 0.000 0.573 710 S N 2.809 118.286 115.700 -0.371 0.000 2.402 710 S HA -0.177 4.294 4.470 0.001 0.000 0.229 710 S C 1.846 176.441 174.600 -0.007 0.000 1.021 710 S CA 1.074 59.169 58.200 -0.175 0.000 0.974 710 S CB 0.001 63.057 63.200 -0.241 0.000 0.800 710 S HN 0.775 nan 8.310 nan 0.000 0.484 711 Q N 0.762 120.640 119.800 0.130 0.000 2.096 711 Q HA 0.154 4.495 4.340 0.001 0.000 0.197 711 Q C 2.168 178.317 176.000 0.249 0.000 0.964 711 Q CA 0.855 56.796 55.803 0.230 0.000 0.838 711 Q CB -0.193 28.735 28.738 0.317 0.000 0.906 711 Q HN 0.580 nan 8.270 nan 0.000 0.444 712 L N 0.198 121.610 121.223 0.315 0.000 2.046 712 L HA -0.171 4.169 4.340 0.001 0.000 0.208 712 L C 2.712 179.734 176.870 0.254 0.000 1.077 712 L CA 1.233 56.192 54.840 0.199 0.000 0.747 712 L CB -0.467 41.560 42.059 -0.054 0.000 0.896 712 L HN 0.229 nan 8.230 nan 0.000 0.432 713 R N 0.406 121.018 120.500 0.188 0.000 2.105 713 R HA -0.200 4.140 4.340 0.001 0.000 0.239 713 R C 2.340 178.719 176.300 0.131 0.000 1.135 713 R CA 1.479 57.671 56.100 0.153 0.000 0.967 713 R CB -0.231 30.111 30.300 0.070 0.000 0.861 713 R HN 0.361 nan 8.270 nan 0.000 0.442 714 A N 0.764 123.647 122.820 0.106 0.000 1.933 714 A HA -0.130 4.190 4.320 0.001 0.000 0.218 714 A C 2.123 179.756 177.584 0.081 0.000 1.175 714 A CA 1.229 53.309 52.037 0.072 0.000 0.628 714 A CB -0.415 18.617 19.000 0.055 0.000 0.814 714 A HN 0.331 nan 8.150 nan 0.000 0.444 715 L N -1.036 120.273 121.223 0.144 0.000 2.044 715 L HA -0.108 4.232 4.340 0.001 0.000 0.205 715 L C 3.109 180.084 176.870 0.174 0.000 1.075 715 L CA 0.922 55.864 54.840 0.170 0.000 0.747 715 L CB -0.767 41.450 42.059 0.263 0.000 0.903 715 L HN 0.396 nan 8.230 nan 0.000 0.435 716 A N 0.339 123.312 122.820 0.255 0.000 1.927 716 A HA -0.280 4.040 4.320 0.001 0.000 0.220 716 A C 2.158 179.811 177.584 0.114 0.000 1.185 716 A CA 2.107 54.307 52.037 0.272 0.000 0.639 716 A CB -0.588 18.683 19.000 0.451 0.000 0.820 716 A HN 0.495 nan 8.150 nan 0.000 0.451 717 E N -0.642 119.609 120.200 0.086 0.000 2.110 717 E HA -0.126 4.224 4.350 0.001 0.000 0.193 717 E C 1.983 178.555 176.600 -0.046 0.000 0.988 717 E CA 1.207 57.625 56.400 0.030 0.000 0.804 717 E CB -0.285 29.430 29.700 0.024 0.000 0.745 717 E HN 0.431 nan 8.360 nan 0.000 0.458 718 V N 0.349 120.191 119.914 -0.120 0.000 2.261 718 V HA -0.271 3.849 4.120 0.001 0.000 0.246 718 V C 1.751 177.628 176.094 -0.363 0.000 1.047 718 V CA 1.841 63.974 62.300 -0.277 0.000 1.015 718 V CB -0.521 31.059 31.823 -0.406 0.000 0.642 718 V HN 0.323 nan 8.190 nan 0.000 0.446 719 Y N 0.419 120.576 120.300 -0.237 0.000 2.516 719 Y HA 0.125 4.675 4.550 0.001 0.000 0.291 719 Y C 2.283 178.068 175.900 -0.191 0.000 1.131 719 Y CA 0.804 58.707 58.100 -0.329 0.000 1.281 719 Y CB -0.253 37.685 38.460 -0.869 0.000 1.013 719 Y HN 0.312 nan 8.280 nan 0.000 0.554 720 G N -1.052 107.758 108.800 0.016 0.000 3.189 720 G HA2 0.065 4.026 3.960 0.001 0.000 0.225 720 G HA3 0.065 4.026 3.960 0.001 0.000 0.225 720 G C 0.230 175.162 174.900 0.054 0.000 1.159 720 G CA -0.140 45.028 45.100 0.113 0.000 0.763 720 G HN 0.074 nan 8.290 nan 0.000 0.549 721 S N -0.359 115.349 115.700 0.014 0.000 2.632 721 S HA 0.501 4.971 4.470 0.001 0.000 0.271 721 S C 1.589 176.203 174.600 0.024 0.000 1.260 721 S CA 0.002 58.207 58.200 0.008 0.000 1.010 721 S CB 1.715 64.902 63.200 -0.021 0.000 0.965 721 S HN 0.298 nan 8.310 nan 0.000 0.534 722 A N 1.353 124.187 122.820 0.023 0.000 2.070 722 A HA -0.112 4.208 4.320 0.001 0.000 0.220 722 A C 1.482 179.088 177.584 0.037 0.000 1.159 722 A CA 1.578 53.634 52.037 0.032 0.000 0.656 722 A CB -0.493 18.522 19.000 0.025 0.000 0.800 722 A HN 0.847 nan 8.150 nan 0.000 0.453 723 D N -1.099 119.317 120.400 0.027 0.000 2.328 723 D HA 0.344 4.984 4.640 0.001 0.000 0.221 723 D C 0.940 177.267 176.300 0.045 0.000 1.072 723 D CA 0.734 54.753 54.000 0.032 0.000 0.850 723 D CB -0.037 40.771 40.800 0.013 0.000 0.922 723 D HN 0.276 nan 8.370 nan 0.000 0.516 724 A N -0.085 122.770 122.820 0.057 0.000 2.390 724 A HA 0.103 4.423 4.320 0.001 0.000 0.232 724 A C 1.939 179.631 177.584 0.181 0.000 1.233 724 A CA 0.100 52.184 52.037 0.078 0.000 0.907 724 A CB 0.002 19.019 19.000 0.029 0.000 0.967 724 A HN 0.133 nan 8.150 nan 0.000 0.512 725 Q N 0.930 120.836 119.800 0.176 0.000 2.050 725 Q HA -0.189 4.151 4.340 0.001 0.000 0.202 725 Q C 1.875 178.010 176.000 0.226 0.000 0.980 725 Q CA 2.263 58.206 55.803 0.234 0.000 0.840 725 Q CB -0.262 28.613 28.738 0.228 0.000 0.898 725 Q HN 0.706 nan 8.270 nan 0.000 0.424 726 E N -0.000 120.328 120.200 0.214 0.000 2.077 726 E HA -0.250 4.100 4.350 0.001 0.000 0.193 726 E C 1.867 178.530 176.600 0.104 0.000 0.989 726 E CA 1.224 57.719 56.400 0.159 0.000 0.800 726 E CB -0.113 29.703 29.700 0.193 0.000 0.746 726 E HN 0.339 nan 8.360 nan 0.000 0.452 727 K N -0.133 120.349 120.400 0.138 0.000 2.057 727 K HA -0.189 4.132 4.320 0.001 0.000 0.207 727 K C 2.140 178.885 176.600 0.241 0.000 1.049 727 K CA 1.360 57.736 56.287 0.148 0.000 0.931 727 K CB -0.369 32.194 32.500 0.105 0.000 0.714 727 K HN 0.115 nan 8.250 nan 0.000 0.440 728 F N 1.435 121.511 119.950 0.211 0.000 2.069 728 F HA -0.228 4.299 4.527 0.000 0.000 0.298 728 F C 1.822 177.686 175.800 0.107 0.000 1.113 728 F CA 1.464 59.604 58.000 0.234 0.000 1.214 728 F CB -0.555 38.570 39.000 0.207 0.000 0.978 728 F HN -0.197 nan 8.300 nan 0.000 0.474 729 V N 1.419 121.216 119.914 -0.195 0.000 2.255 729 V HA -0.332 3.789 4.120 0.001 0.000 0.247 729 V C 2.649 178.643 176.094 -0.167 0.000 1.051 729 V CA 2.417 64.539 62.300 -0.296 0.000 1.018 729 V CB -0.907 30.691 31.823 -0.375 0.000 0.641 729 V HN 0.398 nan 8.190 nan 0.000 0.445 730 R N 0.131 120.585 120.500 -0.077 0.000 2.083 730 R HA -0.208 4.133 4.340 0.001 0.000 0.237 730 R C 2.008 178.291 176.300 -0.028 0.000 1.137 730 R CA 2.310 58.396 56.100 -0.023 0.000 0.951 730 R CB -0.432 29.879 30.300 0.019 0.000 0.851 730 R HN 0.500 nan 8.270 nan 0.000 0.434 731 D N -0.209 120.179 120.400 -0.021 0.000 2.144 731 D HA -0.162 4.478 4.640 0.001 0.000 0.200 731 D C 1.530 177.754 176.300 -0.127 0.000 0.978 731 D CA 1.008 54.995 54.000 -0.022 0.000 0.833 731 D CB -0.315 40.544 40.800 0.098 0.000 0.961 731 D HN 0.229 nan 8.370 nan 0.000 0.470 732 F N 1.210 120.933 119.950 -0.378 0.000 2.102 732 F HA -0.207 4.320 4.527 0.000 0.000 0.298 732 F C 2.167 177.883 175.800 -0.140 0.000 1.105 732 F CA 1.054 58.827 58.000 -0.378 0.000 1.239 732 F CB -0.217 38.362 39.000 -0.702 0.000 0.991 732 F HN -0.211 nan 8.300 nan 0.000 0.474 733 V N 0.555 120.440 119.914 -0.049 0.000 2.343 733 V HA -0.315 3.805 4.120 0.001 0.000 0.247 733 V C 2.730 178.809 176.094 -0.025 0.000 1.051 733 V CA 1.745 64.045 62.300 0.000 0.000 1.036 733 V CB -1.559 30.287 31.823 0.038 0.000 0.654 733 V HN 0.498 nan 8.190 nan 0.000 0.451 734 A N -0.470 122.317 122.820 -0.055 0.000 1.883 734 A HA -0.198 4.123 4.320 0.001 0.000 0.217 734 A C 2.475 180.005 177.584 -0.089 0.000 1.186 734 A CA 2.221 54.228 52.037 -0.050 0.000 0.624 734 A CB -0.775 18.205 19.000 -0.033 0.000 0.822 734 A HN 0.375 nan 8.150 nan 0.000 0.444 735 V N -0.749 119.073 119.914 -0.154 0.000 2.453 735 V HA -0.152 3.968 4.120 0.001 0.000 0.247 735 V C 2.014 177.990 176.094 -0.197 0.000 1.048 735 V CA 1.797 63.993 62.300 -0.173 0.000 1.049 735 V CB -0.450 31.265 31.823 -0.180 0.000 0.672 735 V HN 0.789 nan 8.190 nan 0.000 0.457 736 W N 1.226 122.243 121.300 -0.471 0.000 2.333 736 W HA -0.290 4.370 4.660 0.000 0.000 0.316 736 W C 2.255 178.663 176.519 -0.185 0.000 1.215 736 W CA 2.260 59.383 57.345 -0.370 0.000 1.278 736 W CB -0.674 28.517 29.460 -0.448 0.000 1.154 736 W HN 0.515 nan 8.180 nan 0.000 0.486 737 N N 1.046 119.717 118.700 -0.048 0.000 2.069 737 N HA -0.287 4.453 4.740 0.001 0.000 0.191 737 N C 1.942 177.321 175.510 -0.220 0.000 1.031 737 N CA 2.747 55.731 53.050 -0.111 0.000 0.852 737 N CB -0.759 37.722 38.487 -0.010 0.000 1.018 737 N HN 0.155 nan 8.380 nan 0.000 0.423 738 K N -0.143 120.141 120.400 -0.193 0.000 2.034 738 K HA -0.155 4.165 4.320 0.001 0.000 0.214 738 K C 1.716 178.139 176.600 -0.297 0.000 1.051 738 K CA 1.811 57.970 56.287 -0.212 0.000 0.931 738 K CB -0.285 32.124 32.500 -0.152 0.000 0.715 738 K HN 0.089 nan 8.250 nan 0.000 0.446 739 V N 1.307 121.022 119.914 -0.331 0.000 2.343 739 V HA -0.264 3.857 4.120 0.001 0.000 0.247 739 V C 2.467 178.269 176.094 -0.487 0.000 1.051 739 V CA 1.547 63.606 62.300 -0.401 0.000 1.036 739 V CB -0.398 31.195 31.823 -0.382 0.000 0.654 739 V HN 0.419 nan 8.190 nan 0.000 0.451 740 M N 0.297 119.575 119.600 -0.536 0.000 2.202 740 M HA -0.109 4.371 4.480 0.001 0.000 0.262 740 M C 1.462 177.540 176.300 -0.369 0.000 1.063 740 M CA 1.462 56.488 55.300 -0.456 0.000 1.097 740 M CB -1.267 31.093 32.600 -0.400 0.000 1.382 740 M HN 0.386 nan 8.290 nan 0.000 0.413 741 N N -0.051 118.421 118.700 -0.380 0.000 2.230 741 N HA 0.191 4.932 4.740 0.001 0.000 0.202 741 N C 1.575 176.767 175.510 -0.531 0.000 1.119 741 N CA 0.080 52.894 53.050 -0.393 0.000 0.851 741 N CB 0.124 38.415 38.487 -0.327 0.000 0.990 741 N HN 0.332 nan 8.380 nan 0.000 0.497 742 L N 0.799 121.636 121.223 -0.643 0.000 2.081 742 L HA -0.203 4.137 4.340 0.001 0.000 0.212 742 L C 1.321 177.378 176.870 -1.354 0.000 1.080 742 L CA 1.420 55.632 54.840 -1.045 0.000 0.754 742 L CB -0.205 41.060 42.059 -1.322 0.000 0.893 742 L HN 0.165 nan 8.230 nan 0.000 0.433 743 D N -1.617 118.243 120.400 -0.900 0.000 2.342 743 D HA -0.064 4.576 4.640 0.001 0.000 0.221 743 D C 0.813 176.793 176.300 -0.533 0.000 1.101 743 D CA -0.060 53.622 54.000 -0.530 0.000 0.837 743 D CB -0.032 40.750 40.800 -0.031 0.000 0.938 743 D HN 0.026 nan 8.370 nan 0.000 0.508 744 R N 0.894 120.995 120.500 -0.665 0.000 4.496 744 R HA 0.185 4.526 4.340 0.001 0.000 0.211 744 R C 0.175 176.212 176.300 -0.438 0.000 1.738 744 R CA -0.345 55.495 56.100 -0.433 0.000 1.528 744 R CB -1.285 28.804 30.300 -0.352 0.000 1.414 744 R HN 0.254 nan 8.270 nan 0.000 0.812 745 F N 0.898 120.796 119.950 -0.087 0.000 2.365 745 F HA -0.155 4.372 4.527 0.000 0.000 0.300 745 F C 2.093 177.856 175.800 -0.061 0.000 1.090 745 F CA 0.871 58.836 58.000 -0.058 0.000 1.408 745 F CB 0.032 39.018 39.000 -0.024 0.000 1.060 745 F HN 0.274 nan 8.300 nan 0.000 0.534 746 D N 0.905 121.334 120.400 0.049 0.000 2.311 746 D HA -0.195 4.445 4.640 0.001 0.000 0.212 746 D C 1.526 177.802 176.300 -0.040 0.000 0.972 746 D CA 1.209 55.204 54.000 -0.008 0.000 0.887 746 D CB -0.504 40.271 40.800 -0.041 0.000 0.915 746 D HN 0.359 nan 8.370 nan 0.000 0.497 747 L N -0.224 120.956 121.223 -0.071 0.000 2.693 747 L HA 0.364 4.704 4.340 0.001 0.000 0.235 747 L C 1.429 178.263 176.870 -0.059 0.000 1.127 747 L CA -0.401 54.389 54.840 -0.084 0.000 0.914 747 L CB 0.164 42.142 42.059 -0.134 0.000 1.193 747 L HN -0.034 nan 8.230 nan 0.000 0.502 748 A N 0.000 122.808 122.820 -0.021 0.000 2.254 748 A HA 0.000 4.320 4.320 0.001 0.000 0.244 748 A CA 0.000 52.043 52.037 0.009 0.000 0.836 748 A CB 0.000 19.060 19.000 0.100 0.000 0.831 748 A HN 0.000 nan 8.150 nan 0.000 0.486