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 1mpx_1_C DATA FIRST_RESID 24 DATA SEQUENCE TSPXTPDITG KPFVAADASN DYIKREVXIP XRDGVKLHTV IVLPKGAKNA DATA SEQUENCE PIVLTRTPYD ASGRTERLAS PHXKDLLSAG DDVFVEGGYI RVFQDVRGKY DATA SEQUENCE GSEGDYVXTR PLRGPLNPSE VDHATDAWDT IDWLVKNVSE SNGKVGXIGS DATA SEQUENCE SYEGFTVVXA LTNPHPALKV AVPESPXIDG WXGDDWFNYG AFRQVNFDYF DATA SEQUENCE TGQLSKRGKG AGIARQGHDD YSNFLQAGSA GDFAKAAGLE QLPWWHKLTE DATA SEQUENCE HAAYDAFWQE QALDKVXART PLKVPTXWLQ GLWDQEDXWG AIHSYAAXEP DATA SEQUENCE RDKRNTLNYL VXGPWRHSQV NYDGSALGAL NFEGDTARQF RHDVLRPFFD DATA SEQUENCE QYLVDGAPKA DTPPVFIYNT GENHWDRLKA WPRScDKGcA ATSKPLYLQA DATA SEQUENCE GGKLSFQPPV AGQAGFEEYV SDPAKPVPFV PRPVDFADRA XWTTWLVHDQ DATA SEQUENCE RFVDGRPDVL TFVTEPLTEP LQIAGAPDVH LQASTSGSDS DWVVKLIDVY DATA SEQUENCE PEEXASNPKX GGYELPVSLA IFRGRYRESF STPKPLTSNQ PLAFQFGLPT DATA SEQUENCE ANHTFQPGHR VXVQVQSSLF PLYDRNPQTY VPNIFFAKPG DYQKATQRVY DATA SEQUENCE VSPEQPSYIS LPVR 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 24 T HA 0.000 nan 4.350 nan 0.000 0.228 24 T C 0.000 174.704 174.700 0.007 0.000 1.109 24 T CA 0.000 62.105 62.100 0.008 0.000 1.349 24 T CB 0.000 68.874 68.868 0.010 0.000 0.612 25 S N 3.576 119.280 115.700 0.007 0.000 2.562 25 S HA 0.436 4.906 4.470 0.000 0.000 0.281 25 S C -1.849 172.755 174.600 0.005 0.000 1.333 25 S CA -0.671 57.532 58.200 0.006 0.000 1.052 25 S CB 0.031 63.234 63.200 0.005 0.000 0.884 25 S HN 0.377 nan 8.310 nan 0.000 0.506 29 P HA 0.166 nan 4.420 nan 0.000 0.261 29 P C 0.369 177.676 177.300 0.010 0.000 1.183 29 P CA 0.034 63.139 63.100 0.008 0.000 0.761 29 P CB 0.536 32.242 31.700 0.010 0.000 0.785 30 D N 1.677 122.080 120.400 0.006 0.000 2.317 30 D HA 0.014 4.655 4.640 0.000 0.000 0.211 30 D C 0.612 176.915 176.300 0.006 0.000 0.966 30 D CA 0.932 54.935 54.000 0.005 0.000 0.876 30 D CB 0.327 41.125 40.800 -0.003 0.000 0.927 30 D HN 0.379 nan 8.370 nan 0.000 0.519 31 I N 1.656 122.229 120.570 0.006 0.000 2.330 31 I HA -0.000 4.170 4.170 0.000 0.000 0.286 31 I C 1.731 177.861 176.117 0.021 0.000 1.025 31 I CA -0.229 61.078 61.300 0.010 0.000 1.197 31 I CB 1.766 39.767 38.000 0.002 0.000 1.358 31 I HN -0.173 nan 8.210 nan 0.000 0.467 32 T N 1.232 115.808 114.554 0.036 0.000 2.867 32 T HA 0.018 4.368 4.350 0.000 0.000 0.268 32 T C 1.557 176.276 174.700 0.032 0.000 1.057 32 T CA 1.043 63.165 62.100 0.036 0.000 1.136 32 T CB 0.130 69.028 68.868 0.049 0.000 0.874 32 T HN 0.891 nan 8.240 nan 0.000 0.466 33 G N 2.019 110.841 108.800 0.036 0.000 2.313 33 G HA2 -0.225 3.735 3.960 0.000 0.000 0.215 33 G HA3 -0.225 3.735 3.960 0.000 0.000 0.215 33 G C 0.149 175.071 174.900 0.037 0.000 1.023 33 G CA 0.030 45.149 45.100 0.031 0.000 0.626 33 G HN 0.977 nan 8.290 nan 0.000 0.503 34 K N 1.702 122.128 120.400 0.042 0.000 2.237 34 K HA 0.547 4.867 4.320 0.000 0.000 0.270 34 K C -2.579 174.058 176.600 0.063 0.000 1.015 34 K CA -1.271 55.041 56.287 0.041 0.000 0.949 34 K CB 0.824 33.343 32.500 0.032 0.000 0.976 34 K HN 0.085 nan 8.250 nan 0.000 0.472 35 P HA -0.054 nan 4.420 nan 0.000 0.264 35 P C -1.029 176.332 177.300 0.101 0.000 1.193 35 P CA -0.063 63.083 63.100 0.076 0.000 0.763 35 P CB 0.097 31.824 31.700 0.044 0.000 0.810 36 F N 4.794 124.750 119.950 0.009 0.000 2.466 36 F HA 0.189 4.716 4.527 0.000 0.000 0.363 36 F C -0.186 175.620 175.800 0.011 0.000 1.109 36 F CA -0.454 57.551 58.000 0.009 0.000 1.161 36 F CB 0.336 39.341 39.000 0.008 0.000 1.117 36 F HN -0.005 nan 8.300 nan 0.000 0.539 37 V N 7.786 127.390 119.914 -0.516 0.000 2.427 37 V HA 0.378 4.498 4.120 0.000 0.000 0.268 37 V C 0.776 176.493 176.094 -0.628 0.000 1.046 37 V CA -0.410 61.649 62.300 -0.401 0.000 0.970 37 V CB 0.014 31.679 31.823 -0.262 0.000 1.001 37 V HN 0.960 nan 8.190 nan 0.000 0.476 38 A N 4.924 127.574 122.820 -0.284 0.000 2.386 38 A HA 0.690 5.010 4.320 0.000 0.000 0.248 38 A C 0.790 178.299 177.584 -0.124 0.000 1.082 38 A CA 0.158 52.120 52.037 -0.125 0.000 0.789 38 A CB 0.316 19.363 19.000 0.078 0.000 1.025 38 A HN 1.297 nan 8.150 nan 0.000 0.490 39 A N 0.971 123.750 122.820 -0.068 0.000 2.462 39 A HA 0.445 4.766 4.320 0.000 0.000 0.243 39 A C 0.360 177.906 177.584 -0.063 0.000 1.076 39 A CA 0.459 52.457 52.037 -0.066 0.000 0.773 39 A CB -0.029 18.952 19.000 -0.032 0.000 1.010 39 A HN 0.983 nan 8.150 nan 0.000 0.493 40 D N 0.417 120.765 120.400 -0.086 0.000 2.497 40 D HA 0.219 4.859 4.640 0.000 0.000 0.256 40 D C 1.026 177.241 176.300 -0.141 0.000 1.273 40 D CA 0.476 54.402 54.000 -0.123 0.000 0.812 40 D CB -0.484 40.247 40.800 -0.115 0.000 1.190 40 D HN 0.439 nan 8.370 nan 0.000 0.524 41 A N 1.228 123.986 122.820 -0.103 0.000 1.883 41 A HA -0.140 4.180 4.320 0.000 0.000 0.217 41 A C 2.176 179.699 177.584 -0.101 0.000 1.186 41 A CA 2.214 54.197 52.037 -0.089 0.000 0.624 41 A CB -0.809 18.154 19.000 -0.062 0.000 0.822 41 A HN 0.391 nan 8.150 nan 0.000 0.444 42 S N -0.188 115.449 115.700 -0.105 0.000 2.603 42 S HA 0.025 4.495 4.470 0.000 0.000 0.220 42 S C 0.418 174.920 174.600 -0.163 0.000 0.967 42 S CA -0.261 57.876 58.200 -0.105 0.000 0.920 42 S CB -0.576 62.574 63.200 -0.084 0.000 0.773 42 S HN 0.446 nan 8.310 nan 0.000 0.529 43 N N 3.834 122.384 118.700 -0.250 0.000 2.454 43 N HA 0.105 4.845 4.740 0.000 0.000 0.254 43 N C 0.136 175.461 175.510 -0.308 0.000 1.228 43 N CA 0.384 53.172 53.050 -0.437 0.000 0.900 43 N CB 0.644 38.627 38.487 -0.839 0.000 1.089 43 N HN 0.542 nan 8.380 nan 0.000 0.449 44 D N -0.475 119.815 120.400 -0.182 0.000 2.388 44 D HA 0.022 4.662 4.640 0.000 0.000 0.221 44 D C -0.312 176.039 176.300 0.085 0.000 1.133 44 D CA -0.103 53.896 54.000 -0.001 0.000 0.831 44 D CB -0.469 40.397 40.800 0.109 0.000 0.962 44 D HN 0.574 nan 8.370 nan 0.000 0.502 45 Y N -2.166 118.148 120.300 0.023 0.000 2.677 45 Y HA 0.676 5.226 4.550 0.000 0.000 0.334 45 Y C -1.325 174.589 175.900 0.024 0.000 1.154 45 Y CA -1.825 56.294 58.100 0.032 0.000 1.070 45 Y CB 1.176 39.661 38.460 0.043 0.000 1.294 45 Y HN -0.267 nan 8.280 nan 0.000 0.475 46 I N 2.140 122.857 120.570 0.246 0.000 2.498 46 I HA 0.387 4.557 4.170 0.000 0.000 0.290 46 I C -0.976 175.303 176.117 0.269 0.000 1.032 46 I CA -0.861 60.533 61.300 0.156 0.000 1.073 46 I CB 1.954 40.002 38.000 0.080 0.000 1.251 46 I HN 0.748 nan 8.210 nan 0.000 0.426 47 K N 6.826 127.375 120.400 0.249 0.000 2.274 47 K HA 0.597 4.917 4.320 0.000 0.000 0.262 47 K C -0.858 175.820 176.600 0.130 0.000 0.961 47 K CA -0.583 55.824 56.287 0.200 0.000 0.833 47 K CB 1.402 34.036 32.500 0.223 0.000 1.102 47 K HN 0.574 nan 8.250 nan 0.000 0.436 48 R N 2.951 123.519 120.500 0.112 0.000 2.513 48 R HA 0.250 4.590 4.340 0.000 0.000 0.301 48 R C -0.979 175.374 176.300 0.089 0.000 0.968 48 R CA -0.724 55.437 56.100 0.101 0.000 0.872 48 R CB 2.053 32.419 30.300 0.110 0.000 1.177 48 R HN 0.609 nan 8.270 nan 0.000 0.444 49 E N 2.418 122.675 120.200 0.095 0.000 2.166 49 E HA 0.439 4.789 4.350 0.000 0.000 0.275 49 E C -0.493 176.158 176.600 0.085 0.000 0.941 49 E CA -0.801 55.659 56.400 0.100 0.000 0.784 49 E CB 2.119 31.935 29.700 0.193 0.000 1.115 49 E HN 0.342 nan 8.360 nan 0.000 0.399 56 D N 0.941 121.356 120.400 0.026 0.000 2.368 56 D HA 0.220 4.860 4.640 0.000 0.000 0.218 56 D C 1.173 177.486 176.300 0.021 0.000 1.112 56 D CA 0.619 54.630 54.000 0.019 0.000 0.834 56 D CB 0.888 41.695 40.800 0.013 0.000 0.953 56 D HN 0.481 nan 8.370 nan 0.000 0.505 57 G N -0.080 108.736 108.800 0.026 0.000 2.241 57 G HA2 -0.282 3.678 3.960 0.000 0.000 0.244 57 G HA3 -0.282 3.678 3.960 0.000 0.000 0.244 57 G C 0.246 175.158 174.900 0.020 0.000 0.998 57 G CA 0.136 45.251 45.100 0.025 0.000 0.621 57 G HN 0.368 nan 8.290 nan 0.000 0.519 58 V N 2.153 122.079 119.914 0.020 0.000 2.521 58 V HA 0.343 4.463 4.120 0.000 0.000 0.286 58 V C 0.774 176.876 176.094 0.014 0.000 1.034 58 V CA 0.409 62.721 62.300 0.019 0.000 1.045 58 V CB 1.214 33.051 31.823 0.023 0.000 0.974 58 V HN 0.370 nan 8.190 nan 0.000 0.480 59 K N 5.610 126.015 120.400 0.009 0.000 2.130 59 K HA 0.635 4.955 4.320 0.000 0.000 0.268 59 K C -0.934 175.671 176.600 0.008 0.000 0.983 59 K CA -0.450 55.832 56.287 -0.010 0.000 0.893 59 K CB 1.364 33.855 32.500 -0.016 0.000 1.066 59 K HN 0.497 nan 8.250 nan 0.000 0.450 60 L N 2.729 123.947 121.223 -0.009 0.000 2.313 60 L HA 0.265 4.605 4.340 0.000 0.000 0.283 60 L C 0.238 177.129 176.870 0.036 0.000 1.013 60 L CA -0.828 54.031 54.840 0.031 0.000 0.816 60 L CB 1.253 43.328 42.059 0.027 0.000 1.236 60 L HN 0.679 nan 8.230 nan 0.000 0.419 61 H N 3.219 122.284 119.070 -0.010 0.000 3.026 61 H HA 0.143 4.699 4.556 0.000 0.000 0.289 61 H C -1.113 174.212 175.328 -0.005 0.000 1.022 61 H CA -0.026 56.016 56.048 -0.011 0.000 1.477 61 H CB 0.601 30.379 29.762 0.026 0.000 1.510 61 H HN 0.536 nan 8.280 nan 0.000 0.535 62 T N 6.014 120.388 114.554 -0.300 0.000 2.812 62 T HA 0.257 4.607 4.350 0.000 0.000 0.282 62 T C -0.436 174.094 174.700 -0.283 0.000 0.990 62 T CA -0.717 61.217 62.100 -0.276 0.000 0.960 62 T CB 1.650 70.404 68.868 -0.190 0.000 0.948 62 T HN 0.351 nan 8.240 nan 0.000 0.438 63 V N 4.818 124.602 119.914 -0.217 0.000 2.370 63 V HA 0.501 4.621 4.120 0.000 0.000 0.283 63 V C -0.244 175.862 176.094 0.019 0.000 1.023 63 V CA -0.747 61.496 62.300 -0.094 0.000 0.857 63 V CB 1.010 32.784 31.823 -0.082 0.000 0.985 63 V HN 0.796 nan 8.190 nan 0.000 0.443 64 I N 5.300 125.900 120.570 0.049 0.000 2.362 64 I HA 0.456 4.626 4.170 0.000 0.000 0.289 64 I C -0.575 175.598 176.117 0.093 0.000 0.994 64 I CA -0.701 60.647 61.300 0.079 0.000 1.158 64 I CB 1.955 40.017 38.000 0.103 0.000 1.315 64 I HN 0.276 nan 8.210 nan 0.000 0.451 65 V N 7.584 127.553 119.914 0.093 0.000 2.334 65 V HA 0.426 4.546 4.120 0.000 0.000 0.281 65 V C -0.248 175.913 176.094 0.112 0.000 1.016 65 V CA -0.510 61.849 62.300 0.098 0.000 0.832 65 V CB 1.208 33.048 31.823 0.029 0.000 0.999 65 V HN 0.412 nan 8.190 nan 0.000 0.439 66 L N 7.398 128.704 121.223 0.139 0.000 2.334 66 L HA 0.652 4.992 4.340 0.000 0.000 0.276 66 L C -2.501 174.459 176.870 0.151 0.000 1.014 66 L CA -1.859 53.054 54.840 0.121 0.000 0.815 66 L CB 1.308 43.422 42.059 0.090 0.000 1.268 66 L HN 0.349 nan 8.230 nan 0.000 0.428 67 P HA 0.122 nan 4.420 nan 0.000 0.271 67 P C -0.812 176.544 177.300 0.092 0.000 1.216 67 P CA -0.443 62.736 63.100 0.131 0.000 0.776 67 P CB 0.429 32.191 31.700 0.104 0.000 0.881 68 K N 1.770 122.219 120.400 0.081 0.000 2.451 68 K HA 0.260 4.580 4.320 0.000 0.000 0.280 68 K C 1.184 177.802 176.600 0.030 0.000 1.020 68 K CA 0.949 57.260 56.287 0.039 0.000 1.008 68 K CB -0.326 32.182 32.500 0.013 0.000 0.917 68 K HN 0.854 nan 8.250 nan 0.000 0.478 69 G N 1.361 110.171 108.800 0.018 0.000 2.136 69 G HA2 -0.290 3.670 3.960 0.000 0.000 0.242 69 G HA3 -0.290 3.670 3.960 0.000 0.000 0.242 69 G C 0.151 175.055 174.900 0.007 0.000 0.989 69 G CA 0.060 45.166 45.100 0.010 0.000 0.682 69 G HN 0.822 nan 8.290 nan 0.000 0.522 70 A N -0.084 122.744 122.820 0.013 0.000 2.488 70 A HA 0.619 4.939 4.320 0.000 0.000 0.249 70 A C 0.536 178.113 177.584 -0.012 0.000 1.083 70 A CA 0.698 52.738 52.037 0.004 0.000 0.768 70 A CB 0.337 19.346 19.000 0.015 0.000 1.017 70 A HN 0.500 nan 8.150 nan 0.000 0.496 71 K N 1.858 122.243 120.400 -0.026 0.000 2.535 71 K HA 0.314 4.634 4.320 0.000 0.000 0.250 71 K C -0.466 176.104 176.600 -0.050 0.000 0.948 71 K CA -0.674 55.593 56.287 -0.034 0.000 0.796 71 K CB 1.525 34.007 32.500 -0.029 0.000 1.216 71 K HN 0.805 nan 8.250 nan 0.000 0.432 72 N N 0.535 119.202 118.700 -0.056 0.000 2.721 72 N HA -0.251 4.489 4.740 0.000 0.000 0.249 72 N C -0.968 174.485 175.510 -0.095 0.000 1.072 72 N CA 0.726 53.734 53.050 -0.070 0.000 0.710 72 N CB -0.426 38.022 38.487 -0.066 0.000 0.993 72 N HN 0.637 nan 8.380 nan 0.000 0.547 73 A N 0.269 123.032 122.820 -0.096 0.000 2.310 73 A HA 0.617 4.937 4.320 0.000 0.000 0.299 73 A C -1.959 175.538 177.584 -0.145 0.000 1.147 73 A CA -1.189 50.765 52.037 -0.138 0.000 0.818 73 A CB 0.782 19.722 19.000 -0.100 0.000 1.096 73 A HN 0.067 nan 8.150 nan 0.000 0.495 74 P HA 0.404 nan 4.420 nan 0.000 0.274 74 P C -0.764 176.512 177.300 -0.040 0.000 1.256 74 P CA -0.075 62.932 63.100 -0.154 0.000 0.795 74 P CB 0.775 32.345 31.700 -0.217 0.000 1.038 75 I N 0.081 120.639 120.570 -0.018 0.000 2.474 75 I HA 0.283 4.453 4.170 0.000 0.000 0.294 75 I C -0.352 175.736 176.117 -0.048 0.000 1.005 75 I CA -1.084 60.209 61.300 -0.010 0.000 1.113 75 I CB 2.170 40.140 38.000 -0.050 0.000 1.289 75 I HN -0.045 nan 8.210 nan 0.000 0.436 76 V N 6.795 126.648 119.914 -0.103 0.000 2.384 76 V HA 0.405 4.525 4.120 0.000 0.000 0.287 76 V C -0.447 175.497 176.094 -0.250 0.000 1.020 76 V CA -0.599 61.548 62.300 -0.255 0.000 0.850 76 V CB 1.715 33.155 31.823 -0.638 0.000 0.987 76 V HN 0.400 nan 8.190 nan 0.000 0.436 77 L N 5.113 126.201 121.223 -0.224 0.000 2.334 77 L HA 0.870 5.210 4.340 0.000 0.000 0.276 77 L C -0.113 176.590 176.870 -0.279 0.000 1.014 77 L CA 0.564 55.264 54.840 -0.233 0.000 0.815 77 L CB 2.374 44.344 42.059 -0.148 0.000 1.268 77 L HN 0.675 nan 8.230 nan 0.000 0.428 78 T N 4.512 118.823 114.554 -0.406 0.000 2.921 78 T HA 0.559 4.910 4.350 0.000 0.000 0.297 78 T C -0.849 173.748 174.700 -0.173 0.000 1.013 78 T CA -0.620 61.259 62.100 -0.368 0.000 0.990 78 T CB 1.315 69.725 68.868 -0.764 0.000 1.023 78 T HN 0.536 nan 8.240 nan 0.000 0.447 79 R N 1.674 122.174 120.500 0.002 0.000 2.343 79 R HA 0.721 5.061 4.340 0.000 0.000 0.320 79 R C -0.440 175.974 176.300 0.190 0.000 0.956 79 R CA -0.778 55.388 56.100 0.109 0.000 0.836 79 R CB 1.790 32.175 30.300 0.142 0.000 1.151 79 R HN 0.521 nan 8.270 nan 0.000 0.450 80 T N 2.219 116.888 114.554 0.192 0.000 2.909 80 T HA 0.434 4.784 4.350 0.000 0.000 0.299 80 T C -2.367 172.318 174.700 -0.026 0.000 1.073 80 T CA -2.075 60.108 62.100 0.139 0.000 0.999 80 T CB 1.877 70.905 68.868 0.267 0.000 1.098 80 T HN 0.352 nan 8.240 nan 0.000 0.477 81 P HA 0.259 nan 4.420 nan 0.000 0.263 81 P C -0.556 176.514 177.300 -0.385 0.000 1.448 81 P CA -0.092 62.723 63.100 -0.475 0.000 0.983 81 P CB -0.153 30.968 31.700 -0.966 0.000 1.481 82 Y N 0.141 120.448 120.300 0.011 0.000 2.774 82 Y HA 0.374 4.925 4.550 0.000 0.000 0.305 82 Y C 0.181 175.868 175.900 -0.355 0.000 1.067 82 Y CA -1.450 56.612 58.100 -0.062 0.000 1.304 82 Y CB -0.604 37.868 38.460 0.020 0.000 1.209 82 Y HN -0.055 nan 8.280 nan 0.000 0.543 83 D N 0.207 120.251 120.400 -0.593 0.000 4.669 83 D HA -0.160 4.480 4.640 0.000 0.000 0.240 83 D C 0.899 177.023 176.300 -0.292 0.000 1.111 83 D CA 0.554 54.054 54.000 -0.833 0.000 1.179 83 D CB -0.300 39.841 40.800 -1.099 0.000 0.750 83 D HN 0.436 nan 8.370 nan 0.000 0.360 84 A N 2.737 125.488 122.820 -0.115 0.000 1.933 84 A HA -0.122 4.198 4.320 0.000 0.000 0.218 84 A C 2.361 179.873 177.584 -0.121 0.000 1.175 84 A CA 2.098 54.103 52.037 -0.053 0.000 0.628 84 A CB -0.179 18.815 19.000 -0.011 0.000 0.814 84 A HN 0.532 nan 8.150 nan 0.000 0.444 85 S N -0.587 115.089 115.700 -0.040 0.000 2.383 85 S HA -0.036 4.434 4.470 0.000 0.000 0.227 85 S C 2.032 176.573 174.600 -0.099 0.000 1.026 85 S CA 1.082 59.275 58.200 -0.012 0.000 0.981 85 S CB -0.497 62.759 63.200 0.093 0.000 0.818 85 S HN 0.763 nan 8.310 nan 0.000 0.472 86 G N 1.646 110.356 108.800 -0.149 0.000 2.421 86 G HA2 -0.134 3.826 3.960 0.000 0.000 0.217 86 G HA3 -0.134 3.826 3.960 0.000 0.000 0.217 86 G C 1.465 176.237 174.900 -0.213 0.000 1.143 86 G CA 0.141 45.148 45.100 -0.154 0.000 0.784 86 G HN 0.284 nan 8.290 nan 0.000 0.541 87 R N 0.581 120.881 120.500 -0.334 0.000 2.189 87 R HA -0.029 4.311 4.340 0.000 0.000 0.218 87 R C 2.043 177.947 176.300 -0.661 0.000 1.074 87 R CA 1.450 57.210 56.100 -0.567 0.000 0.991 87 R CB -0.703 29.040 30.300 -0.930 0.000 0.883 87 R HN 0.508 nan 8.270 nan 0.000 0.457 88 T N -2.427 111.853 114.554 -0.456 0.000 3.223 88 T HA 0.224 4.574 4.350 0.000 0.000 0.259 88 T C 0.364 174.954 174.700 -0.183 0.000 1.015 88 T CA -0.314 61.609 62.100 -0.294 0.000 0.908 88 T CB 0.149 68.913 68.868 -0.172 0.000 1.054 88 T HN 0.103 nan 8.240 nan 0.000 0.567 89 E N 0.869 120.973 120.200 -0.161 0.000 3.832 89 E HA 0.214 4.565 4.350 0.000 0.000 0.250 89 E C 1.352 177.908 176.600 -0.073 0.000 1.215 89 E CA -0.408 55.936 56.400 -0.094 0.000 1.179 89 E CB 0.341 30.009 29.700 -0.053 0.000 1.270 89 E HN 0.088 nan 8.360 nan 0.000 0.405 90 R N 1.391 121.846 120.500 -0.075 0.000 2.120 90 R HA -0.025 4.315 4.340 0.000 0.000 0.234 90 R C -0.009 176.285 176.300 -0.010 0.000 1.123 90 R CA 1.086 57.164 56.100 -0.038 0.000 0.975 90 R CB 0.084 30.366 30.300 -0.030 0.000 0.866 90 R HN 0.375 nan 8.270 nan 0.000 0.446 91 L N -0.647 120.572 121.223 -0.007 0.000 2.526 91 L HA 0.425 4.765 4.340 0.000 0.000 0.263 91 L C -1.541 175.344 176.870 0.026 0.000 0.943 91 L CA -0.426 54.424 54.840 0.017 0.000 0.859 91 L CB 1.877 43.957 42.059 0.034 0.000 1.313 91 L HN 0.065 nan 8.230 nan 0.000 0.406 92 A N 3.233 126.076 122.820 0.038 0.000 2.473 92 A HA 0.595 4.915 4.320 0.000 0.000 0.282 92 A C 0.040 177.667 177.584 0.073 0.000 1.163 92 A CA 0.757 52.829 52.037 0.057 0.000 0.827 92 A CB -0.309 18.726 19.000 0.059 0.000 1.098 92 A HN 0.860 nan 8.150 nan 0.000 0.515 93 S N 3.080 118.838 115.700 0.096 0.000 2.547 93 S HA 0.695 5.165 4.470 0.000 0.000 0.270 93 S C -2.520 172.157 174.600 0.129 0.000 1.150 93 S CA -0.786 57.470 58.200 0.093 0.000 0.850 93 S CB 1.757 65.036 63.200 0.131 0.000 1.118 93 S HN 0.360 nan 8.310 nan 0.000 0.461 94 P HA 0.139 nan 4.420 nan 0.000 0.241 94 P C -0.058 177.186 177.300 -0.093 0.000 1.191 94 P CA 0.530 63.542 63.100 -0.146 0.000 0.771 94 P CB -0.151 31.343 31.700 -0.344 0.000 0.929 98 D N 1.569 122.013 120.400 0.074 0.000 2.301 98 D HA 0.014 4.654 4.640 0.000 0.000 0.206 98 D C 1.854 178.169 176.300 0.025 0.000 0.979 98 D CA 0.583 54.620 54.000 0.063 0.000 0.874 98 D CB 0.365 41.238 40.800 0.121 0.000 0.968 98 D HN 0.116 nan 8.370 nan 0.000 0.510 99 L N 0.843 122.059 121.223 -0.010 0.000 2.056 99 L HA -0.010 4.330 4.340 0.000 0.000 0.207 99 L C 0.798 177.602 176.870 -0.109 0.000 1.078 99 L CA 1.228 56.009 54.840 -0.097 0.000 0.749 99 L CB -0.159 41.717 42.059 -0.306 0.000 0.901 99 L HN -0.129 nan 8.230 nan 0.000 0.433 100 L N -0.424 120.743 121.223 -0.094 0.000 2.439 100 L HA 0.288 4.628 4.340 0.000 0.000 0.259 100 L C 0.909 177.751 176.870 -0.047 0.000 1.129 100 L CA -0.443 54.355 54.840 -0.069 0.000 0.803 100 L CB 0.894 42.944 42.059 -0.014 0.000 1.161 100 L HN 0.218 nan 8.230 nan 0.000 0.462 101 S N 0.401 116.069 115.700 -0.053 0.000 2.580 101 S HA 0.105 4.575 4.470 0.000 0.000 0.266 101 S C 1.105 175.660 174.600 -0.075 0.000 1.354 101 S CA -0.081 58.080 58.200 -0.064 0.000 1.008 101 S CB 1.114 64.262 63.200 -0.087 0.000 0.898 101 S HN 0.708 nan 8.310 nan 0.000 0.555 102 A N 2.071 124.825 122.820 -0.111 0.000 1.940 102 A HA 0.087 4.407 4.320 0.000 0.000 0.219 102 A C 2.189 179.669 177.584 -0.173 0.000 1.176 102 A CA 1.688 53.654 52.037 -0.119 0.000 0.631 102 A CB -1.737 17.202 19.000 -0.101 0.000 0.814 102 A HN 1.215 nan 8.150 nan 0.000 0.446 103 G N -1.059 107.593 108.800 -0.248 0.000 2.534 103 G HA2 -0.082 3.878 3.960 0.000 0.000 0.217 103 G HA3 -0.082 3.878 3.960 0.000 0.000 0.217 103 G C 0.787 175.570 174.900 -0.194 0.000 1.128 103 G CA 0.928 45.882 45.100 -0.242 0.000 0.784 103 G HN 0.450 nan 8.290 nan 0.000 0.542 104 D N 0.934 121.282 120.400 -0.087 0.000 2.339 104 D HA 0.003 4.644 4.640 0.000 0.000 0.217 104 D C 1.908 178.159 176.300 -0.081 0.000 1.050 104 D CA 0.444 54.450 54.000 0.010 0.000 0.856 104 D CB 0.120 41.017 40.800 0.161 0.000 0.922 104 D HN 0.413 nan 8.370 nan 0.000 0.518 105 D N 0.814 121.132 120.400 -0.136 0.000 2.133 105 D HA -0.191 4.449 4.640 0.000 0.000 0.195 105 D C 2.076 178.297 176.300 -0.131 0.000 0.997 105 D CA 1.478 55.417 54.000 -0.101 0.000 0.840 105 D CB -0.875 39.871 40.800 -0.090 0.000 0.947 105 D HN 0.277 nan 8.370 nan 0.000 0.452 106 V N -2.426 117.306 119.914 -0.304 0.000 2.626 106 V HA -0.091 4.029 4.120 0.000 0.000 0.252 106 V C 2.284 178.224 176.094 -0.256 0.000 1.067 106 V CA 0.984 63.087 62.300 -0.329 0.000 1.081 106 V CB -1.129 30.380 31.823 -0.524 0.000 0.686 106 V HN -0.067 nan 8.190 nan 0.000 0.468 107 F N 0.728 120.595 119.950 -0.138 0.000 2.293 107 F HA 0.121 4.648 4.527 0.000 0.000 0.297 107 F C 2.415 178.274 175.800 0.098 0.000 1.089 107 F CA 0.881 58.799 58.000 -0.136 0.000 1.377 107 F CB -1.071 37.787 39.000 -0.237 0.000 1.051 107 F HN 0.020 nan 8.300 nan 0.000 0.511 108 V N -0.148 119.888 119.914 0.204 0.000 2.379 108 V HA -0.219 3.901 4.120 0.000 0.000 0.245 108 V C 2.100 178.284 176.094 0.149 0.000 1.044 108 V CA 1.684 64.084 62.300 0.166 0.000 1.036 108 V CB -0.604 31.281 31.823 0.103 0.000 0.664 108 V HN 0.265 nan 8.190 nan 0.000 0.453 109 E N 0.435 120.701 120.200 0.110 0.000 2.153 109 E HA -0.127 4.223 4.350 0.000 0.000 0.194 109 E C 2.140 178.818 176.600 0.129 0.000 0.988 109 E CA 1.131 57.587 56.400 0.094 0.000 0.811 109 E CB -0.312 29.424 29.700 0.060 0.000 0.746 109 E HN 0.632 nan 8.360 nan 0.000 0.466 110 G N -0.539 108.395 108.800 0.224 0.000 2.985 110 G HA2 0.159 4.120 3.960 0.000 0.000 0.209 110 G HA3 0.159 4.120 3.960 0.000 0.000 0.209 110 G C 0.984 175.997 174.900 0.189 0.000 1.165 110 G CA 0.160 45.429 45.100 0.282 0.000 0.776 110 G HN 0.367 nan 8.290 nan 0.000 0.541 111 G N -1.002 107.913 108.800 0.192 0.000 2.160 111 G HA2 -0.311 3.649 3.960 0.000 0.000 0.251 111 G HA3 -0.311 3.649 3.960 0.000 0.000 0.251 111 G C 0.156 175.099 174.900 0.073 0.000 1.008 111 G CA 0.088 45.246 45.100 0.097 0.000 0.724 111 G HN 0.403 nan 8.290 nan 0.000 0.514 112 Y N -0.714 119.638 120.300 0.085 0.000 2.314 112 Y HA 0.554 5.104 4.550 0.000 0.000 0.334 112 Y C 1.472 177.394 175.900 0.037 0.000 1.266 112 Y CA -0.447 57.685 58.100 0.054 0.000 1.391 112 Y CB 0.600 39.099 38.460 0.065 0.000 1.306 112 Y HN 0.153 nan 8.280 nan 0.000 0.558 113 I N 2.943 123.609 120.570 0.160 0.000 2.315 113 I HA 0.272 4.442 4.170 0.000 0.000 0.291 113 I C -0.210 175.954 176.117 0.079 0.000 1.006 113 I CA -0.586 60.773 61.300 0.099 0.000 1.265 113 I CB 0.985 39.016 38.000 0.051 0.000 1.387 113 I HN 0.384 nan 8.210 nan 0.000 0.475 114 R N 5.459 126.006 120.500 0.079 0.000 2.346 114 R HA 0.663 5.003 4.340 0.000 0.000 0.311 114 R C -1.519 174.816 176.300 0.059 0.000 0.983 114 R CA -0.414 55.713 56.100 0.046 0.000 0.880 114 R CB 1.274 31.647 30.300 0.121 0.000 1.100 114 R HN 0.399 nan 8.270 nan 0.000 0.453 115 V N 5.313 125.210 119.914 -0.028 0.000 2.588 115 V HA 0.545 4.665 4.120 0.000 0.000 0.304 115 V C -1.015 175.008 176.094 -0.118 0.000 1.042 115 V CA -0.674 61.620 62.300 -0.009 0.000 0.877 115 V CB 1.638 33.441 31.823 -0.033 0.000 0.996 115 V HN 0.597 nan 8.190 nan 0.000 0.425 116 F N 2.695 122.617 119.950 -0.046 0.000 2.529 116 F HA 0.625 5.152 4.527 0.000 0.000 0.320 116 F C 0.051 175.804 175.800 -0.079 0.000 1.118 116 F CA -0.289 57.686 58.000 -0.042 0.000 0.915 116 F CB 2.090 41.066 39.000 -0.040 0.000 1.161 116 F HN 0.438 nan 8.300 nan 0.000 0.445 117 Q N 2.901 122.761 119.800 0.100 0.000 2.356 117 Q HA 0.293 4.633 4.340 0.000 0.000 0.270 117 Q C -1.604 174.453 176.000 0.095 0.000 1.058 117 Q CA -0.970 54.855 55.803 0.037 0.000 0.802 117 Q CB 1.793 30.540 28.738 0.015 0.000 1.303 117 Q HN 0.495 nan 8.270 nan 0.000 0.444 118 D N 2.954 123.408 120.400 0.091 0.000 2.383 118 D HA 0.107 4.747 4.640 0.000 0.000 0.252 118 D C 0.425 176.824 176.300 0.166 0.000 1.166 118 D CA 0.106 54.198 54.000 0.153 0.000 0.879 118 D CB 1.119 42.054 40.800 0.226 0.000 1.164 118 D HN 0.460 nan 8.370 nan 0.000 0.462 119 V N 1.351 121.384 119.914 0.199 0.000 3.376 119 V HA 0.128 4.248 4.120 0.000 0.000 0.303 119 V C 0.895 177.132 176.094 0.238 0.000 1.100 119 V CA -0.778 61.688 62.300 0.276 0.000 1.126 119 V CB 0.474 32.571 31.823 0.456 0.000 1.085 119 V HN 0.519 nan 8.190 nan 0.000 0.480 120 R N 1.480 122.112 120.500 0.220 0.000 2.502 120 R HA 0.354 4.694 4.340 0.000 0.000 0.292 120 R C 1.210 177.654 176.300 0.241 0.000 0.998 120 R CA 1.083 57.279 56.100 0.161 0.000 1.056 120 R CB -0.384 29.959 30.300 0.072 0.000 0.939 120 R HN 1.813 nan 8.270 nan 0.000 0.411 121 G N 3.055 111.961 108.800 0.176 0.000 2.157 121 G HA2 -0.208 3.752 3.960 0.000 0.000 0.248 121 G HA3 -0.208 3.752 3.960 0.000 0.000 0.248 121 G C -0.441 174.499 174.900 0.067 0.000 0.979 121 G CA 0.086 45.293 45.100 0.178 0.000 0.650 121 G HN 0.512 nan 8.290 nan 0.000 0.529 122 K N -0.795 119.633 120.400 0.047 0.000 2.371 122 K HA 0.659 4.979 4.320 0.000 0.000 0.251 122 K C 0.845 177.499 176.600 0.090 0.000 0.934 122 K CA -0.847 55.404 56.287 -0.061 0.000 0.798 122 K CB 1.604 34.059 32.500 -0.075 0.000 1.204 122 K HN 0.152 nan 8.250 nan 0.000 0.427 123 Y N 0.263 120.531 120.300 -0.053 0.000 2.796 123 Y HA -0.451 4.099 4.550 0.000 0.000 0.472 123 Y C 1.822 177.712 175.900 -0.017 0.000 1.126 123 Y CA 2.200 60.289 58.100 -0.019 0.000 2.780 123 Y CB -1.482 36.989 38.460 0.018 0.000 1.152 123 Y HN 0.815 nan 8.280 nan 0.000 0.616 124 G N -0.119 108.799 108.800 0.197 0.000 2.744 124 G HA2 0.172 4.133 3.960 0.000 0.000 0.211 124 G HA3 0.172 4.133 3.960 0.000 0.000 0.211 124 G C 0.273 175.205 174.900 0.054 0.000 1.143 124 G CA 0.772 45.858 45.100 -0.022 0.000 0.788 124 G HN 0.296 nan 8.290 nan 0.000 0.534 125 S N 0.288 116.067 115.700 0.131 0.000 2.601 125 S HA 0.351 4.821 4.470 0.000 0.000 0.271 125 S C 0.204 174.842 174.600 0.064 0.000 1.305 125 S CA -0.492 57.774 58.200 0.110 0.000 1.022 125 S CB 1.605 64.884 63.200 0.132 0.000 0.940 125 S HN 0.459 nan 8.310 nan 0.000 0.525 126 E N 0.328 120.559 120.200 0.052 0.000 2.602 126 E HA 0.623 4.973 4.350 0.000 0.000 0.255 126 E C 0.554 177.184 176.600 0.050 0.000 1.268 126 E CA -0.372 56.051 56.400 0.038 0.000 1.007 126 E CB 0.493 30.209 29.700 0.027 0.000 1.208 126 E HN 0.842 nan 8.360 nan 0.000 0.584 127 G N 0.541 109.367 108.800 0.043 0.000 2.710 127 G HA2 -0.146 3.815 3.960 0.000 0.000 0.668 127 G HA3 -0.146 3.815 3.960 0.000 0.000 0.668 127 G C -1.332 173.608 174.900 0.067 0.000 1.320 127 G CA -0.733 44.397 45.100 0.050 0.000 0.860 127 G HN 0.459 nan 8.290 nan 0.000 0.538 128 D N -0.613 119.828 120.400 0.068 0.000 2.193 128 D HA 0.519 5.159 4.640 0.000 0.000 0.249 128 D C -0.422 175.962 176.300 0.139 0.000 1.034 128 D CA 0.059 54.112 54.000 0.090 0.000 0.902 128 D CB 1.482 42.317 40.800 0.059 0.000 1.182 128 D HN 0.463 nan 8.370 nan 0.000 0.436 129 Y N 1.489 121.810 120.300 0.034 0.000 2.328 129 Y HA 0.425 4.975 4.550 0.000 0.000 0.337 129 Y C -0.791 175.151 175.900 0.069 0.000 1.008 129 Y CA -0.291 57.839 58.100 0.050 0.000 1.129 129 Y CB 0.665 39.141 38.460 0.026 0.000 1.185 129 Y HN 0.077 nan 8.280 nan 0.000 0.476 133 R N 2.167 122.862 120.500 0.326 0.000 2.584 133 R HA 0.082 4.422 4.340 0.000 0.000 0.315 133 R C -2.285 174.211 176.300 0.326 0.000 0.863 133 R CA -0.348 55.900 56.100 0.247 0.000 1.139 133 R CB -0.012 30.352 30.300 0.108 0.000 0.880 133 R HN 0.255 nan 8.270 nan 0.000 0.413 134 P HA -0.025 nan 4.420 nan 0.000 0.272 134 P C -0.404 176.964 177.300 0.113 0.000 1.230 134 P CA -0.568 62.618 63.100 0.144 0.000 0.788 134 P CB 0.462 32.188 31.700 0.043 0.000 0.949 135 L N 1.721 122.998 121.223 0.091 0.000 2.483 135 L HA 0.080 4.420 4.340 0.000 0.000 0.275 135 L C 1.222 178.113 176.870 0.035 0.000 1.220 135 L CA 0.293 55.169 54.840 0.061 0.000 0.833 135 L CB -0.705 41.384 42.059 0.049 0.000 1.102 135 L HN 0.404 nan 8.230 nan 0.000 0.490 136 R N 1.352 121.866 120.500 0.023 0.000 2.480 136 R HA 0.349 4.689 4.340 0.000 0.000 0.303 136 R C 0.399 176.703 176.300 0.007 0.000 0.985 136 R CA 0.836 56.941 56.100 0.009 0.000 1.051 136 R CB -0.006 30.293 30.300 -0.001 0.000 0.935 136 R HN 0.912 nan 8.270 nan 0.000 0.410 137 G N 3.252 112.054 108.800 0.003 0.000 2.452 137 G HA2 -0.009 3.951 3.960 0.000 0.000 0.224 137 G HA3 -0.009 3.951 3.960 0.000 0.000 0.224 137 G C -2.362 172.535 174.900 -0.004 0.000 1.208 137 G CA -0.844 44.255 45.100 -0.001 0.000 0.946 137 G HN 0.323 nan 8.290 nan 0.000 0.481 138 P HA 0.055 nan 4.420 nan 0.000 0.217 138 P C 1.738 179.033 177.300 -0.009 0.000 1.148 138 P CA 1.061 64.153 63.100 -0.012 0.000 0.828 138 P CB 0.067 31.753 31.700 -0.022 0.000 0.783 139 L N -2.867 118.348 121.223 -0.013 0.000 2.554 139 L HA 0.164 4.504 4.340 0.000 0.000 0.225 139 L C 0.709 177.589 176.870 0.016 0.000 1.104 139 L CA 0.210 55.050 54.840 -0.000 0.000 0.866 139 L CB -0.224 41.814 42.059 -0.035 0.000 1.047 139 L HN -0.040 nan 8.230 nan 0.000 0.468 140 N N 0.460 119.166 118.700 0.011 0.000 2.609 140 N HA 0.204 4.944 4.740 0.000 0.000 0.268 140 N C -2.218 173.296 175.510 0.007 0.000 1.106 140 N CA -1.646 51.412 53.050 0.014 0.000 0.823 140 N CB 1.626 40.125 38.487 0.019 0.000 1.263 140 N HN -0.218 nan 8.380 nan 0.000 0.533 141 P HA 0.057 nan 4.420 nan 0.000 0.249 141 P C 0.256 177.556 177.300 -0.001 0.000 1.229 141 P CA 0.137 63.237 63.100 0.001 0.000 0.788 141 P CB 0.101 31.802 31.700 0.001 0.000 1.072 142 S N 0.152 115.852 115.700 0.000 0.000 2.641 142 S HA 0.147 4.617 4.470 0.000 0.000 0.261 142 S C 1.028 175.623 174.600 -0.007 0.000 1.257 142 S CA -0.311 57.888 58.200 -0.002 0.000 0.983 142 S CB 0.654 63.854 63.200 -0.001 0.000 0.990 142 S HN -0.109 nan 8.310 nan 0.000 0.572 143 E N -0.226 119.969 120.200 -0.009 0.000 2.479 143 E HA 0.186 4.536 4.350 0.000 0.000 0.193 143 E C 0.346 176.936 176.600 -0.016 0.000 1.049 143 E CA 0.168 56.559 56.400 -0.015 0.000 0.870 143 E CB 0.295 29.987 29.700 -0.014 0.000 0.944 143 E HN 0.586 nan 8.360 nan 0.000 0.492 144 V N -0.754 119.153 119.914 -0.013 0.000 2.925 144 V HA 0.687 4.807 4.120 0.000 0.000 0.311 144 V C -1.050 175.030 176.094 -0.023 0.000 1.104 144 V CA -1.040 61.251 62.300 -0.014 0.000 0.954 144 V CB 2.456 34.272 31.823 -0.011 0.000 1.022 144 V HN -0.030 nan 8.190 nan 0.000 0.427 145 D N -0.011 120.374 120.400 -0.024 0.000 2.921 145 D HA 0.360 5.000 4.640 0.000 0.000 0.329 145 D C 0.576 176.843 176.300 -0.054 0.000 1.293 145 D CA -0.422 53.552 54.000 -0.042 0.000 0.964 145 D CB 0.425 41.239 40.800 0.023 0.000 1.435 145 D HN 0.430 nan 8.370 nan 0.000 0.548 146 H N -0.795 118.321 119.070 0.077 0.000 2.495 146 H HA 0.181 4.737 4.556 0.000 0.000 0.287 146 H C 1.650 177.012 175.328 0.057 0.000 1.033 146 H CA 1.416 57.508 56.048 0.074 0.000 1.307 146 H CB 0.110 29.897 29.762 0.041 0.000 1.401 146 H HN 0.526 nan 8.280 nan 0.000 0.555 147 A N 0.812 123.723 122.820 0.150 0.000 1.872 147 A HA -0.147 4.173 4.320 0.000 0.000 0.214 147 A C 2.691 180.382 177.584 0.178 0.000 1.187 147 A CA 2.110 54.231 52.037 0.140 0.000 0.614 147 A CB -0.854 18.208 19.000 0.103 0.000 0.826 147 A HN 0.522 nan 8.150 nan 0.000 0.442 148 T N -2.587 112.039 114.554 0.119 0.000 2.904 148 T HA -0.113 4.237 4.350 0.000 0.000 0.267 148 T C 1.310 176.110 174.700 0.167 0.000 1.059 148 T CA 1.576 63.746 62.100 0.116 0.000 1.137 148 T CB -0.400 68.481 68.868 0.022 0.000 0.879 148 T HN 0.284 nan 8.240 nan 0.000 0.467 149 D N 1.840 122.318 120.400 0.129 0.000 2.144 149 D HA 0.146 4.786 4.640 0.000 0.000 0.200 149 D C 2.410 178.805 176.300 0.158 0.000 0.978 149 D CA 1.319 55.393 54.000 0.124 0.000 0.833 149 D CB -0.555 40.297 40.800 0.087 0.000 0.961 149 D HN 0.569 nan 8.370 nan 0.000 0.470 150 A N 0.388 123.315 122.820 0.179 0.000 1.968 150 A HA -0.138 4.182 4.320 0.000 0.000 0.217 150 A C 2.076 179.763 177.584 0.171 0.000 1.169 150 A CA 0.752 52.877 52.037 0.146 0.000 0.638 150 A CB -0.915 18.161 19.000 0.127 0.000 0.812 150 A HN 0.382 nan 8.150 nan 0.000 0.446 151 W N 1.481 122.828 121.300 0.079 0.000 2.378 151 W HA -0.138 4.522 4.660 0.000 0.000 0.313 151 W C 0.950 177.548 176.519 0.132 0.000 1.197 151 W CA 2.012 59.438 57.345 0.136 0.000 1.304 151 W CB -0.468 29.074 29.460 0.137 0.000 1.148 151 W HN 0.410 nan 8.180 nan 0.000 0.494 152 D N -0.298 120.375 120.400 0.454 0.000 2.178 152 D HA -0.146 4.494 4.640 0.000 0.000 0.201 152 D C 2.122 178.545 176.300 0.206 0.000 0.980 152 D CA 2.074 56.274 54.000 0.333 0.000 0.842 152 D CB -0.666 40.273 40.800 0.230 0.000 0.948 152 D HN 0.109 nan 8.370 nan 0.000 0.472 153 T N 0.969 115.603 114.554 0.133 0.000 2.701 153 T HA -0.033 4.317 4.350 0.000 0.000 0.263 153 T C 2.243 176.970 174.700 0.044 0.000 1.040 153 T CA 0.489 62.636 62.100 0.078 0.000 1.147 153 T CB -0.145 68.748 68.868 0.041 0.000 0.865 153 T HN 0.135 nan 8.240 nan 0.000 0.426 154 I N 1.042 121.552 120.570 -0.100 0.000 2.286 154 I HA -0.162 4.008 4.170 0.000 0.000 0.248 154 I C 2.422 178.269 176.117 -0.450 0.000 1.115 154 I CA 1.290 62.399 61.300 -0.317 0.000 1.392 154 I CB -0.318 37.372 38.000 -0.517 0.000 1.065 154 I HN 0.215 nan 8.210 nan 0.000 0.418 155 D N 0.032 120.189 120.400 -0.406 0.000 2.117 155 D HA -0.274 4.366 4.640 0.000 0.000 0.197 155 D C 1.969 178.275 176.300 0.011 0.000 0.987 155 D CA 1.337 55.242 54.000 -0.159 0.000 0.829 155 D CB -0.163 40.755 40.800 0.198 0.000 0.961 155 D HN 0.375 nan 8.370 nan 0.000 0.460 156 W N 0.505 121.769 121.300 -0.060 0.000 2.388 156 W HA -0.055 4.605 4.660 0.000 0.000 0.294 156 W C 1.860 178.348 176.519 -0.053 0.000 1.212 156 W CA 1.004 58.334 57.345 -0.026 0.000 1.271 156 W CB -0.178 29.282 29.460 0.000 0.000 1.126 156 W HN 0.007 nan 8.180 nan 0.000 0.535 157 L N 0.187 121.555 121.223 0.242 0.000 2.017 157 L HA -0.226 4.114 4.340 0.000 0.000 0.208 157 L C 2.542 179.343 176.870 -0.116 0.000 1.073 157 L CA 1.633 56.543 54.840 0.116 0.000 0.745 157 L CB -1.361 40.758 42.059 0.098 0.000 0.894 157 L HN 0.060 nan 8.230 nan 0.000 0.432 158 V N -3.251 116.576 119.914 -0.146 0.000 2.809 158 V HA -0.161 3.959 4.120 0.000 0.000 0.256 158 V C 2.003 177.995 176.094 -0.170 0.000 1.080 158 V CA 1.365 63.575 62.300 -0.151 0.000 1.102 158 V CB -0.603 31.135 31.823 -0.142 0.000 0.705 158 V HN 0.389 nan 8.190 nan 0.000 0.475 159 K N 0.413 120.677 120.400 -0.228 0.000 2.356 159 K HA 0.197 4.517 4.320 0.000 0.000 0.195 159 K C 1.158 177.528 176.600 -0.383 0.000 1.037 159 K CA 1.075 57.211 56.287 -0.252 0.000 1.014 159 K CB 0.054 32.425 32.500 -0.215 0.000 0.815 159 K HN 0.566 nan 8.250 nan 0.000 0.507 160 N N -0.543 117.800 118.700 -0.595 0.000 2.193 160 N HA 0.036 4.777 4.740 0.000 0.000 0.210 160 N C -0.899 174.352 175.510 -0.432 0.000 1.215 160 N CA -0.038 52.583 53.050 -0.715 0.000 0.901 160 N CB 1.471 38.999 38.487 -1.599 0.000 1.060 160 N HN -0.202 nan 8.380 nan 0.000 0.508 161 V N 2.147 121.886 119.914 -0.292 0.000 2.270 161 V HA 0.103 4.223 4.120 0.000 0.000 0.263 161 V C 1.136 177.167 176.094 -0.105 0.000 1.066 161 V CA -0.202 62.022 62.300 -0.127 0.000 0.857 161 V CB 0.542 32.336 31.823 -0.048 0.000 1.099 161 V HN 0.305 nan 8.190 nan 0.000 0.476 162 S N 2.553 118.198 115.700 -0.092 0.000 2.442 162 S HA -0.174 4.296 4.470 0.000 0.000 0.236 162 S C 1.334 175.902 174.600 -0.054 0.000 1.007 162 S CA 1.076 59.232 58.200 -0.074 0.000 0.965 162 S CB -0.139 63.024 63.200 -0.062 0.000 0.773 162 S HN 0.723 nan 8.310 nan 0.000 0.504 163 E N 1.439 121.615 120.200 -0.041 0.000 2.482 163 E HA 0.217 4.567 4.350 0.000 0.000 0.196 163 E C 0.817 177.392 176.600 -0.042 0.000 1.047 163 E CA 0.173 56.555 56.400 -0.031 0.000 0.869 163 E CB 0.081 29.775 29.700 -0.011 0.000 0.836 163 E HN 0.457 nan 8.360 nan 0.000 0.520 164 S N 0.688 116.356 115.700 -0.053 0.000 2.687 164 S HA 0.152 4.622 4.470 0.000 0.000 0.283 164 S C 0.619 175.175 174.600 -0.074 0.000 1.170 164 S CA -0.723 57.438 58.200 -0.064 0.000 1.008 164 S CB 0.525 63.686 63.200 -0.065 0.000 1.026 164 S HN 0.269 nan 8.310 nan 0.000 0.541 165 N N 1.052 119.702 118.700 -0.083 0.000 2.268 165 N HA 0.182 4.922 4.740 0.000 0.000 0.204 165 N C 0.945 176.407 175.510 -0.081 0.000 1.124 165 N CA 0.642 53.643 53.050 -0.081 0.000 0.838 165 N CB -0.219 38.215 38.487 -0.089 0.000 0.994 165 N HN 0.943 nan 8.380 nan 0.000 0.489 166 G N -0.013 108.735 108.800 -0.087 0.000 2.148 166 G HA2 -0.309 3.651 3.960 0.000 0.000 0.254 166 G HA3 -0.309 3.651 3.960 0.000 0.000 0.254 166 G C -0.398 174.444 174.900 -0.098 0.000 0.981 166 G CA 0.307 45.353 45.100 -0.091 0.000 0.670 166 G HN 0.490 nan 8.290 nan 0.000 0.528 167 K N -0.125 120.212 120.400 -0.103 0.000 2.182 167 K HA 0.675 4.995 4.320 0.000 0.000 0.262 167 K C -0.499 176.020 176.600 -0.135 0.000 0.957 167 K CA -0.769 55.448 56.287 -0.116 0.000 0.842 167 K CB 2.870 35.304 32.500 -0.110 0.000 1.099 167 K HN 0.048 nan 8.250 nan 0.000 0.438 168 V N 1.467 121.281 119.914 -0.166 0.000 2.709 168 V HA 0.544 4.664 4.120 0.000 0.000 0.308 168 V C 0.196 176.130 176.094 -0.266 0.000 1.062 168 V CA -0.788 61.399 62.300 -0.189 0.000 0.901 168 V CB 1.972 33.683 31.823 -0.187 0.000 1.003 168 V HN 0.997 nan 8.190 nan 0.000 0.425 172 G N 2.432 111.272 108.800 0.068 0.000 2.376 172 G HA2 0.415 4.376 3.960 0.000 0.000 0.302 172 G HA3 0.415 4.376 3.960 0.000 0.000 0.302 172 G C -2.109 172.872 174.900 0.136 0.000 1.586 172 G CA -0.035 45.129 45.100 0.106 0.000 0.907 172 G HN 0.614 nan 8.290 nan 0.000 0.655 173 S N 0.111 115.906 115.700 0.159 0.000 2.537 173 S HA 0.837 5.307 4.470 0.000 0.000 0.301 173 S C 0.965 175.710 174.600 0.241 0.000 1.092 173 S CA 1.205 59.484 58.200 0.132 0.000 1.048 173 S CB 1.414 64.622 63.200 0.013 0.000 1.053 173 S HN 2.371 nan 8.310 nan 0.000 0.501 174 S N 2.342 118.203 115.700 0.269 0.000 4.141 174 S HA -0.311 4.159 4.470 0.000 0.000 0.622 174 S C 0.819 175.671 174.600 0.420 0.000 1.894 174 S CA 1.414 59.867 58.200 0.421 0.000 4.238 174 S CB -1.873 61.672 63.200 0.576 0.000 0.205 174 S HN 1.027 nan 8.310 nan 0.000 0.486 175 Y N 2.687 123.215 120.300 0.379 0.000 2.293 175 Y HA 0.057 4.607 4.550 0.000 0.000 0.291 175 Y C 2.428 178.530 175.900 0.336 0.000 1.137 175 Y CA 2.418 60.707 58.100 0.315 0.000 1.202 175 Y CB -0.291 38.324 38.460 0.259 0.000 0.990 175 Y HN 0.587 nan 8.280 nan 0.000 0.537 176 E N -1.353 119.168 120.200 0.534 0.000 2.268 176 E HA -0.105 4.245 4.350 0.000 0.000 0.195 176 E C 2.263 179.019 176.600 0.261 0.000 0.995 176 E CA 0.723 57.346 56.400 0.372 0.000 0.836 176 E CB -0.248 29.658 29.700 0.344 0.000 0.763 176 E HN 0.582 nan 8.360 nan 0.000 0.491 177 G N 0.792 109.758 108.800 0.276 0.000 2.453 177 G HA2 -0.204 3.756 3.960 0.000 0.000 0.215 177 G HA3 -0.204 3.756 3.960 0.000 0.000 0.215 177 G C 1.306 176.335 174.900 0.216 0.000 1.147 177 G CA -0.064 45.165 45.100 0.214 0.000 0.802 177 G HN 0.280 nan 8.290 nan 0.000 0.535 178 F N 3.112 123.115 119.950 0.088 0.000 2.171 178 F HA -0.132 4.395 4.527 0.000 0.000 0.300 178 F C 2.758 178.542 175.800 -0.027 0.000 1.090 178 F CA 2.226 60.231 58.000 0.007 0.000 1.293 178 F CB -0.419 38.483 39.000 -0.164 0.000 1.013 178 F HN 0.165 nan 8.300 nan 0.000 0.486 179 T N -2.193 112.325 114.554 -0.060 0.000 2.951 179 T HA -0.075 4.275 4.350 0.000 0.000 0.268 179 T C 1.930 176.570 174.700 -0.100 0.000 1.073 179 T CA 1.192 63.190 62.100 -0.169 0.000 1.134 179 T CB -1.080 67.824 68.868 0.060 0.000 0.884 179 T HN 0.184 nan 8.240 nan 0.000 0.479 180 V N 1.368 121.261 119.914 -0.035 0.000 2.379 180 V HA -0.012 4.108 4.120 0.000 0.000 0.245 180 V C 1.998 178.064 176.094 -0.048 0.000 1.044 180 V CA 0.593 62.876 62.300 -0.030 0.000 1.036 180 V CB -0.643 31.172 31.823 -0.015 0.000 0.664 180 V HN 0.379 nan 8.190 nan 0.000 0.453 184 L N 1.748 122.999 121.223 0.046 0.000 2.362 184 L HA -0.072 4.268 4.340 0.000 0.000 0.219 184 L C 2.756 179.683 176.870 0.095 0.000 1.134 184 L CA 1.816 56.695 54.840 0.065 0.000 0.807 184 L CB -0.429 41.670 42.059 0.067 0.000 0.927 184 L HN 0.717 nan 8.230 nan 0.000 0.447 185 T N -3.330 111.279 114.554 0.091 0.000 2.881 185 T HA -0.145 4.205 4.350 0.000 0.000 0.270 185 T C 0.964 175.723 174.700 0.099 0.000 1.068 185 T CA 1.096 63.250 62.100 0.091 0.000 1.131 185 T CB -0.137 68.774 68.868 0.072 0.000 0.871 185 T HN 0.241 nan 8.240 nan 0.000 0.479 186 N N 1.523 120.302 118.700 0.131 0.000 2.976 186 N HA 0.301 5.041 4.740 0.000 0.000 0.220 186 N C -3.336 172.368 175.510 0.324 0.000 1.428 186 N CA -1.415 51.745 53.050 0.183 0.000 0.748 186 N CB 1.429 39.988 38.487 0.121 0.000 1.484 186 N HN 0.130 nan 8.380 nan 0.000 0.578 187 P HA 0.168 nan 4.420 nan 0.000 0.282 187 P C -0.387 176.947 177.300 0.056 0.000 1.249 187 P CA -0.124 63.082 63.100 0.177 0.000 0.806 187 P CB 0.791 32.525 31.700 0.056 0.000 0.984 188 H N 4.005 122.826 119.070 -0.415 0.000 2.815 188 H HA 0.045 4.601 4.556 0.000 0.000 0.350 188 H C -1.408 173.585 175.328 -0.558 0.000 1.080 188 H CA -0.905 54.449 56.048 -1.156 0.000 1.433 188 H CB 0.584 29.712 29.762 -1.056 0.000 1.432 188 H HN 0.204 nan 8.280 nan 0.000 0.592 189 P HA -0.113 nan 4.420 nan 0.000 0.219 189 P C 0.933 178.184 177.300 -0.082 0.000 1.146 189 P CA 1.827 64.780 63.100 -0.245 0.000 0.808 189 P CB 0.007 31.546 31.700 -0.268 0.000 0.779 190 A N -1.044 121.842 122.820 0.110 0.000 2.119 190 A HA -0.043 4.277 4.320 0.000 0.000 0.217 190 A C 1.085 178.609 177.584 -0.099 0.000 1.153 190 A CA 0.227 52.267 52.037 0.005 0.000 0.692 190 A CB -1.183 17.791 19.000 -0.043 0.000 0.799 190 A HN 0.181 nan 8.150 nan 0.000 0.458 191 L N 0.672 121.830 121.223 -0.108 0.000 2.433 191 L HA 0.209 4.549 4.340 0.000 0.000 0.284 191 L C 0.647 177.410 176.870 -0.178 0.000 1.120 191 L CA 0.143 54.889 54.840 -0.157 0.000 0.879 191 L CB 0.293 42.274 42.059 -0.131 0.000 1.232 191 L HN 0.012 nan 8.230 nan 0.000 0.454 192 K N 3.928 124.191 120.400 -0.228 0.000 2.352 192 K HA 0.321 4.641 4.320 0.000 0.000 0.194 192 K C -0.214 176.114 176.600 -0.453 0.000 1.038 192 K CA 0.301 56.428 56.287 -0.267 0.000 1.023 192 K CB 0.423 32.814 32.500 -0.182 0.000 0.840 192 K HN 0.393 nan 8.250 nan 0.000 0.519 193 V N -0.585 119.053 119.914 -0.461 0.000 3.098 193 V HA 0.678 4.798 4.120 0.000 0.000 0.294 193 V C -2.104 173.794 176.094 -0.326 0.000 1.351 193 V CA -0.749 61.233 62.300 -0.530 0.000 0.999 193 V CB 2.129 33.469 31.823 -0.805 0.000 1.104 193 V HN 0.144 nan 8.190 nan 0.000 0.438 194 A N 4.253 127.010 122.820 -0.104 0.000 2.486 194 A HA 0.891 5.211 4.320 0.000 0.000 0.300 194 A C -1.535 176.127 177.584 0.130 0.000 1.048 194 A CA -0.453 51.587 52.037 0.004 0.000 0.696 194 A CB 2.340 21.284 19.000 -0.094 0.000 1.278 194 A HN 1.412 nan 8.150 nan 0.000 0.405 195 V N 3.321 123.327 119.914 0.152 0.000 2.454 195 V HA 0.310 4.431 4.120 0.000 0.000 0.267 195 V C -2.727 173.383 176.094 0.027 0.000 0.993 195 V CA -1.217 61.154 62.300 0.119 0.000 0.836 195 V CB 1.320 33.283 31.823 0.234 0.000 1.055 195 V HN 0.721 nan 8.190 nan 0.000 0.452 196 P HA 0.303 nan 4.420 nan 0.000 0.280 196 P C -0.298 177.071 177.300 0.115 0.000 1.300 196 P CA 0.084 63.182 63.100 -0.004 0.000 0.785 196 P CB 0.467 32.102 31.700 -0.108 0.000 0.874 197 E N 1.589 121.865 120.200 0.127 0.000 2.197 197 E HA 0.236 4.586 4.350 0.000 0.000 0.281 197 E C 0.074 176.769 176.600 0.158 0.000 0.995 197 E CA -0.712 55.759 56.400 0.119 0.000 0.808 197 E CB 0.515 30.247 29.700 0.052 0.000 1.093 197 E HN 0.240 nan 8.360 nan 0.000 0.394 198 S N 2.373 118.180 115.700 0.179 0.000 3.348 198 S HA -0.143 4.327 4.470 0.000 0.000 0.366 198 S C -1.973 172.800 174.600 0.289 0.000 0.953 198 S CA 0.252 58.592 58.200 0.233 0.000 1.255 198 S CB -1.562 61.755 63.200 0.194 0.000 0.906 198 S HN 0.505 nan 8.310 nan 0.000 0.495 202 D N 1.943 122.400 120.400 0.096 0.000 2.375 202 D HA 0.496 5.136 4.640 0.000 0.000 0.259 202 D C 1.022 177.226 176.300 -0.160 0.000 1.235 202 D CA 0.136 54.115 54.000 -0.035 0.000 0.924 202 D CB 1.489 42.111 40.800 -0.296 0.000 1.143 202 D HN 0.306 nan 8.370 nan 0.000 0.529 203 G N 2.150 110.951 108.800 0.001 0.000 2.708 203 G HA2 -0.116 3.844 3.960 0.000 0.000 0.210 203 G HA3 -0.116 3.844 3.960 0.000 0.000 0.210 203 G C 0.424 175.250 174.900 -0.124 0.000 1.141 203 G CA 0.033 45.044 45.100 -0.149 0.000 0.788 203 G HN 0.407 nan 8.290 nan 0.000 0.531 207 D N 0.283 120.519 120.400 -0.273 0.000 3.009 207 D HA 0.161 4.801 4.640 0.000 0.000 0.243 207 D C 1.037 177.144 176.300 -0.323 0.000 1.204 207 D CA -0.145 53.734 54.000 -0.201 0.000 1.171 207 D CB 0.552 41.251 40.800 -0.169 0.000 0.954 207 D HN -0.084 nan 8.370 nan 0.000 0.241 208 D N -0.311 119.753 120.400 -0.560 0.000 2.110 208 D HA -0.045 4.595 4.640 0.000 0.000 0.202 208 D C 2.320 178.282 176.300 -0.564 0.000 0.975 208 D CA 0.798 54.343 54.000 -0.758 0.000 0.839 208 D CB -0.066 39.901 40.800 -1.387 0.000 0.996 208 D HN 0.380 nan 8.370 nan 0.000 0.464 209 W N 0.226 121.473 121.300 -0.088 0.000 2.407 209 W HA 0.020 4.680 4.660 0.000 0.000 0.305 209 W C 0.669 176.844 176.519 -0.574 0.000 1.196 209 W CA -0.280 56.952 57.345 -0.189 0.000 1.311 209 W CB -0.171 29.370 29.460 0.135 0.000 1.135 209 W HN -0.174 nan 8.180 nan 0.000 0.514 210 F N -0.630 119.197 119.950 -0.205 0.000 2.650 210 F HA 0.373 4.900 4.527 0.000 0.000 0.320 210 F C -0.369 175.151 175.800 -0.467 0.000 1.091 210 F CA -1.614 56.145 58.000 -0.403 0.000 0.962 210 F CB 0.944 39.415 39.000 -0.883 0.000 1.363 210 F HN -0.346 nan 8.300 nan 0.000 0.482 211 N N 0.726 119.305 118.700 -0.202 0.000 2.540 211 N HA 0.239 4.979 4.740 0.000 0.000 0.275 211 N C -1.623 173.650 175.510 -0.395 0.000 1.053 211 N CA -0.567 52.300 53.050 -0.306 0.000 0.876 211 N CB 0.995 39.463 38.487 -0.032 0.000 1.284 211 N HN 0.633 nan 8.380 nan 0.000 0.518 212 Y N 1.059 121.018 120.300 -0.569 0.000 3.305 212 Y HA -0.284 4.267 4.550 0.000 0.000 0.212 212 Y C 1.429 176.830 175.900 -0.831 0.000 1.248 212 Y CA 1.407 59.148 58.100 -0.598 0.000 1.359 212 Y CB -1.897 36.408 38.460 -0.258 0.000 1.407 212 Y HN 0.945 nan 8.280 nan 0.000 0.572 213 G N -2.043 105.903 108.800 -1.423 0.000 2.253 213 G HA2 -0.073 3.887 3.960 0.000 0.000 0.251 213 G HA3 -0.073 3.887 3.960 0.000 0.000 0.251 213 G C 0.432 175.171 174.900 -0.268 0.000 0.998 213 G CA -0.029 44.327 45.100 -1.240 0.000 0.621 213 G HN 1.607 nan 8.290 nan 0.000 0.524 214 A N 0.442 123.157 122.820 -0.175 0.000 2.354 214 A HA 0.632 4.952 4.320 0.000 0.000 0.281 214 A C -0.045 177.660 177.584 0.201 0.000 1.174 214 A CA -0.218 51.829 52.037 0.017 0.000 0.828 214 A CB 0.162 19.052 19.000 -0.184 0.000 1.099 214 A HN 1.323 nan 8.150 nan 0.000 0.516 215 F N 2.845 122.792 119.950 -0.005 0.000 2.484 215 F HA 0.406 4.933 4.527 0.000 0.000 0.360 215 F C 0.708 176.320 175.800 -0.313 0.000 1.101 215 F CA -0.185 57.630 58.000 -0.308 0.000 1.251 215 F CB 0.687 39.446 39.000 -0.402 0.000 1.132 215 F HN 0.566 nan 8.300 nan 0.000 0.570 216 R N 5.770 125.398 120.500 -1.454 0.000 2.204 216 R HA 0.152 4.492 4.340 0.000 0.000 0.341 216 R C 0.843 176.099 176.300 -1.740 0.000 1.035 216 R CA -0.266 54.986 56.100 -1.413 0.000 0.887 216 R CB 0.806 30.497 30.300 -1.014 0.000 1.114 216 R HN 0.776 nan 8.270 nan 0.000 0.473 217 Q N 1.300 120.269 119.800 -1.385 0.000 2.369 217 Q HA -0.097 4.243 4.340 0.000 0.000 0.206 217 Q C 1.749 177.036 176.000 -1.188 0.000 0.963 217 Q CA 0.648 55.762 55.803 -1.148 0.000 0.894 217 Q CB 0.216 28.414 28.738 -0.901 0.000 0.965 217 Q HN 0.467 nan 8.270 nan 0.000 0.475 218 V N 1.960 120.930 119.914 -1.573 0.000 2.688 218 V HA -0.214 3.906 4.120 0.000 0.000 0.256 218 V C 1.212 176.598 176.094 -1.180 0.000 1.084 218 V CA 1.554 62.657 62.300 -1.994 0.000 1.103 218 V CB -0.267 30.308 31.823 -2.080 0.000 0.688 218 V HN 0.408 nan 8.190 nan 0.000 0.480 219 N N -0.657 117.445 118.700 -0.997 0.000 2.461 219 N HA 0.016 4.756 4.740 0.000 0.000 0.188 219 N C 1.304 176.132 175.510 -1.137 0.000 1.134 219 N CA 0.532 53.084 53.050 -0.829 0.000 0.878 219 N CB -0.097 38.056 38.487 -0.557 0.000 0.972 219 N HN 0.470 nan 8.380 nan 0.000 0.456 220 F N 1.912 121.437 119.950 -0.708 0.000 2.126 220 F HA -0.124 4.403 4.527 0.000 0.000 0.299 220 F C 2.029 177.706 175.800 -0.204 0.000 1.096 220 F CA 0.976 58.752 58.000 -0.375 0.000 1.255 220 F CB -0.251 38.786 39.000 0.061 0.000 0.997 220 F HN 0.023 nan 8.300 nan 0.000 0.479 221 D N -1.631 118.777 120.400 0.013 0.000 2.178 221 D HA -0.219 4.421 4.640 0.000 0.000 0.202 221 D C 2.041 178.367 176.300 0.043 0.000 0.974 221 D CA 0.961 54.988 54.000 0.046 0.000 0.841 221 D CB -0.540 40.266 40.800 0.012 0.000 0.953 221 D HN 0.343 nan 8.370 nan 0.000 0.478 222 Y N 0.705 120.910 120.300 -0.158 0.000 2.242 222 Y HA -0.219 4.331 4.550 0.000 0.000 0.291 222 Y C 1.880 177.885 175.900 0.175 0.000 1.137 222 Y CA 1.211 59.300 58.100 -0.017 0.000 1.181 222 Y CB -0.194 38.249 38.460 -0.027 0.000 0.989 222 Y HN -0.207 nan 8.280 nan 0.000 0.527 223 F N -0.002 120.122 119.950 0.289 0.000 2.102 223 F HA -0.202 4.325 4.527 0.000 0.000 0.298 223 F C 2.782 178.642 175.800 0.100 0.000 1.105 223 F CA 1.718 59.857 58.000 0.231 0.000 1.239 223 F CB -1.751 37.463 39.000 0.356 0.000 0.991 223 F HN 0.141 nan 8.300 nan 0.000 0.474 224 T N -2.575 112.139 114.554 0.267 0.000 2.904 224 T HA 0.046 4.397 4.350 0.000 0.000 0.267 224 T C 2.334 177.058 174.700 0.039 0.000 1.059 224 T CA 1.002 63.181 62.100 0.131 0.000 1.137 224 T CB -1.079 67.851 68.868 0.103 0.000 0.879 224 T HN 0.265 nan 8.240 nan 0.000 0.467 225 G N 0.575 109.377 108.800 0.004 0.000 2.422 225 G HA2 -0.093 3.867 3.960 0.000 0.000 0.218 225 G HA3 -0.093 3.867 3.960 0.000 0.000 0.218 225 G C 1.714 176.536 174.900 -0.129 0.000 1.140 225 G CA 0.355 45.421 45.100 -0.056 0.000 0.775 225 G HN 0.438 nan 8.290 nan 0.000 0.545 226 Q N -0.807 118.866 119.800 -0.211 0.000 2.350 226 Q HA 0.313 4.653 4.340 0.000 0.000 0.225 226 Q C 2.132 178.000 176.000 -0.221 0.000 0.878 226 Q CA 0.169 55.798 55.803 -0.288 0.000 0.935 226 Q CB 0.770 29.210 28.738 -0.497 0.000 1.099 226 Q HN 0.500 nan 8.270 nan 0.000 0.527 227 L N -0.528 120.655 121.223 -0.067 0.000 2.766 227 L HA 0.230 4.570 4.340 0.000 0.000 0.242 227 L C 1.787 178.666 176.870 0.015 0.000 1.136 227 L CA 0.054 54.901 54.840 0.013 0.000 0.933 227 L CB 0.330 42.468 42.059 0.132 0.000 1.241 227 L HN -0.067 nan 8.230 nan 0.000 0.522 228 S N 0.141 115.833 115.700 -0.013 0.000 2.371 228 S HA 0.039 4.509 4.470 0.000 0.000 0.224 228 S C 0.686 175.261 174.600 -0.041 0.000 1.029 228 S CA 1.137 59.331 58.200 -0.010 0.000 0.978 228 S CB 0.114 63.306 63.200 -0.014 0.000 0.833 228 S HN 0.358 nan 8.310 nan 0.000 0.466 229 K N -0.637 119.705 120.400 -0.096 0.000 2.495 229 K HA 0.397 4.718 4.320 0.000 0.000 0.268 229 K C 0.494 176.966 176.600 -0.212 0.000 1.008 229 K CA -0.848 55.364 56.287 -0.125 0.000 0.882 229 K CB 1.288 33.713 32.500 -0.125 0.000 1.443 229 K HN -0.163 nan 8.250 nan 0.000 0.447 230 R N 0.614 120.992 120.500 -0.205 0.000 2.091 230 R HA -0.094 4.246 4.340 0.000 0.000 0.238 230 R C 1.012 177.000 176.300 -0.521 0.000 1.136 230 R CA 2.135 58.075 56.100 -0.265 0.000 0.959 230 R CB -0.347 29.854 30.300 -0.165 0.000 0.856 230 R HN 0.758 nan 8.270 nan 0.000 0.437 231 G N 0.224 108.687 108.800 -0.562 0.000 3.022 231 G HA2 0.078 4.038 3.960 0.000 0.000 0.157 231 G HA3 0.078 4.038 3.960 0.000 0.000 0.157 231 G C -1.007 173.415 174.900 -0.796 0.000 1.468 231 G CA -0.579 43.901 45.100 -1.034 0.000 1.058 231 G HN 0.151 nan 8.290 nan 0.000 0.581 232 K N 0.220 120.422 120.400 -0.330 0.000 2.451 232 K HA 0.445 4.765 4.320 0.000 0.000 0.280 232 K C 0.607 177.163 176.600 -0.073 0.000 1.020 232 K CA 0.747 57.017 56.287 -0.029 0.000 1.008 232 K CB 0.473 33.043 32.500 0.117 0.000 0.917 232 K HN 0.497 nan 8.250 nan 0.000 0.478 233 G N 1.708 110.479 108.800 -0.049 0.000 2.940 233 G HA2 0.790 4.750 3.960 0.000 0.000 0.164 233 G HA3 0.790 4.750 3.960 0.000 0.000 0.164 233 G C -1.163 173.731 174.900 -0.010 0.000 1.326 233 G CA -0.260 44.815 45.100 -0.043 0.000 1.020 233 G HN 0.843 nan 8.290 nan 0.000 0.586 234 A N -2.455 120.364 122.820 -0.003 0.000 2.599 234 A HA 0.808 5.129 4.320 0.000 0.000 0.290 234 A C 0.125 177.721 177.584 0.020 0.000 1.101 234 A CA 0.136 52.179 52.037 0.010 0.000 0.674 234 A CB 0.800 19.803 19.000 0.006 0.000 1.277 234 A HN 1.638 nan 8.150 nan 0.000 0.419 235 G N -0.793 108.023 108.800 0.027 0.000 2.563 235 G HA2 0.526 4.486 3.960 0.000 0.000 0.283 235 G HA3 0.526 4.486 3.960 0.000 0.000 0.283 235 G C -0.304 174.620 174.900 0.040 0.000 1.309 235 G CA -0.621 44.505 45.100 0.043 0.000 1.022 235 G HN 0.696 nan 8.290 nan 0.000 0.501 236 I N 0.999 121.605 120.570 0.060 0.000 2.365 236 I HA 0.370 4.540 4.170 0.000 0.000 0.291 236 I C 0.944 177.063 176.117 0.004 0.000 1.004 236 I CA -0.536 60.779 61.300 0.024 0.000 1.311 236 I CB 1.586 39.618 38.000 0.052 0.000 1.401 236 I HN 0.490 nan 8.210 nan 0.000 0.491 237 A N 7.654 130.450 122.820 -0.041 0.000 2.520 237 A HA 0.357 4.677 4.320 0.000 0.000 0.245 237 A C 0.090 177.634 177.584 -0.068 0.000 1.072 237 A CA -0.185 51.826 52.037 -0.043 0.000 0.761 237 A CB 0.115 19.082 19.000 -0.055 0.000 1.004 237 A HN 0.615 nan 8.150 nan 0.000 0.499 238 R N 1.467 121.947 120.500 -0.033 0.000 2.643 238 R HA 0.298 4.638 4.340 0.000 0.000 0.272 238 R C 0.543 176.818 176.300 -0.043 0.000 0.995 238 R CA -0.831 55.247 56.100 -0.036 0.000 1.032 238 R CB 0.905 31.208 30.300 0.005 0.000 1.126 238 R HN 0.827 nan 8.270 nan 0.000 0.505 239 Q N 0.037 119.806 119.800 -0.051 0.000 2.137 239 Q HA 0.111 4.451 4.340 0.000 0.000 0.198 239 Q C 0.809 176.805 176.000 -0.006 0.000 0.960 239 Q CA 1.090 56.870 55.803 -0.038 0.000 0.847 239 Q CB 0.298 29.009 28.738 -0.044 0.000 0.915 239 Q HN 0.779 nan 8.270 nan 0.000 0.448 240 G N -1.941 106.865 108.800 0.010 0.000 2.827 240 G HA2 0.254 4.214 3.960 0.000 0.000 0.296 240 G HA3 0.254 4.214 3.960 0.000 0.000 0.296 240 G C -0.451 174.496 174.900 0.079 0.000 1.362 240 G CA -0.397 44.730 45.100 0.046 0.000 0.809 240 G HN 0.070 nan 8.290 nan 0.000 0.522 241 H N -0.687 118.378 119.070 -0.008 0.000 2.403 241 H HA 0.102 4.658 4.556 0.000 0.000 0.298 241 H C 0.179 175.496 175.328 -0.019 0.000 1.059 241 H CA 1.308 57.348 56.048 -0.013 0.000 1.363 241 H CB 0.378 30.130 29.762 -0.016 0.000 1.410 241 H HN 0.285 nan 8.280 nan 0.000 0.528 242 D N 0.072 120.456 120.400 -0.027 0.000 2.339 242 D HA 0.026 4.666 4.640 0.000 0.000 0.241 242 D C 0.234 176.514 176.300 -0.033 0.000 1.183 242 D CA -0.201 53.755 54.000 -0.073 0.000 0.859 242 D CB 0.596 41.412 40.800 0.027 0.000 1.067 242 D HN 0.202 nan 8.370 nan 0.000 0.484 243 D N 2.436 122.767 120.400 -0.115 0.000 2.264 243 D HA -0.176 4.464 4.640 0.000 0.000 0.208 243 D C 1.373 177.714 176.300 0.067 0.000 0.966 243 D CA 0.607 54.572 54.000 -0.058 0.000 0.864 243 D CB -0.083 40.542 40.800 -0.292 0.000 0.933 243 D HN 0.578 nan 8.370 nan 0.000 0.499 244 Y N 1.472 121.733 120.300 -0.065 0.000 2.128 244 Y HA -0.251 4.299 4.550 0.000 0.000 0.284 244 Y C 2.366 178.412 175.900 0.242 0.000 1.154 244 Y CA 1.749 59.911 58.100 0.104 0.000 1.149 244 Y CB -0.115 38.404 38.460 0.098 0.000 0.976 244 Y HN -0.130 nan 8.280 nan 0.000 0.505 245 S N 0.410 116.320 115.700 0.350 0.000 2.371 245 S HA -0.153 4.317 4.470 0.000 0.000 0.224 245 S C 1.683 176.368 174.600 0.142 0.000 1.029 245 S CA 1.027 59.370 58.200 0.238 0.000 0.978 245 S CB -0.371 62.933 63.200 0.173 0.000 0.833 245 S HN 0.529 nan 8.310 nan 0.000 0.466 246 N N 1.235 119.984 118.700 0.082 0.000 2.069 246 N HA -0.046 4.694 4.740 0.000 0.000 0.191 246 N C 1.371 176.864 175.510 -0.028 0.000 1.031 246 N CA 1.311 54.351 53.050 -0.015 0.000 0.852 246 N CB -0.509 37.906 38.487 -0.120 0.000 1.018 246 N HN 0.367 nan 8.380 nan 0.000 0.423 247 F N 0.497 120.486 119.950 0.064 0.000 2.234 247 F HA 0.033 4.560 4.527 0.000 0.000 0.296 247 F C 2.158 178.094 175.800 0.227 0.000 1.089 247 F CA 0.123 58.176 58.000 0.088 0.000 1.343 247 F CB -0.502 38.408 39.000 -0.150 0.000 1.040 247 F HN -0.037 nan 8.300 nan 0.000 0.498 248 L N 0.243 121.706 121.223 0.400 0.000 2.046 248 L HA -0.208 4.132 4.340 0.000 0.000 0.208 248 L C 2.211 179.110 176.870 0.049 0.000 1.077 248 L CA 1.875 56.790 54.840 0.125 0.000 0.747 248 L CB -0.846 41.196 42.059 -0.030 0.000 0.896 248 L HN 0.146 nan 8.230 nan 0.000 0.432 249 Q N -1.184 118.661 119.800 0.076 0.000 2.167 249 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 249 Q C 2.192 178.216 176.000 0.041 0.000 0.970 249 Q CA 1.439 57.266 55.803 0.040 0.000 0.855 249 Q CB -0.266 28.495 28.738 0.038 0.000 0.911 249 Q HN 0.667 nan 8.270 nan 0.000 0.438 250 A N -0.006 122.866 122.820 0.087 0.000 2.014 250 A HA 0.222 4.542 4.320 0.000 0.000 0.218 250 A C 1.310 178.962 177.584 0.112 0.000 1.163 250 A CA 1.397 53.495 52.037 0.101 0.000 0.652 250 A CB -0.444 18.673 19.000 0.195 0.000 0.808 250 A HN 0.486 nan 8.150 nan 0.000 0.449 251 G N -1.016 107.845 108.800 0.101 0.000 2.826 251 G HA2 -0.078 3.882 3.960 0.000 0.000 0.233 251 G HA3 -0.078 3.882 3.960 0.000 0.000 0.233 251 G C 0.556 175.537 174.900 0.136 0.000 1.296 251 G CA 0.579 45.701 45.100 0.036 0.000 1.001 251 G HN 1.647 nan 8.290 nan 0.000 0.576 252 S N 1.016 116.865 115.700 0.248 0.000 2.634 252 S HA 0.686 5.156 4.470 0.000 0.000 0.261 252 S C 1.814 176.671 174.600 0.429 0.000 1.271 252 S CA 0.754 59.177 58.200 0.372 0.000 0.985 252 S CB 1.376 64.815 63.200 0.398 0.000 0.968 252 S HN 2.250 nan 8.310 nan 0.000 0.568 253 A N 0.958 124.067 122.820 0.481 0.000 1.933 253 A HA 0.159 4.479 4.320 0.000 0.000 0.218 253 A C 2.189 180.187 177.584 0.690 0.000 1.175 253 A CA 1.588 54.031 52.037 0.677 0.000 0.628 253 A CB -1.818 17.625 19.000 0.739 0.000 0.814 253 A HN 1.140 nan 8.150 nan 0.000 0.444 254 G N -0.349 108.825 108.800 0.624 0.000 2.432 254 G HA2 -0.213 3.747 3.960 0.000 0.000 0.219 254 G HA3 -0.213 3.747 3.960 0.000 0.000 0.219 254 G C 1.130 176.309 174.900 0.465 0.000 1.135 254 G CA 1.171 46.669 45.100 0.663 0.000 0.767 254 G HN 0.456 nan 8.290 nan 0.000 0.550 255 D N -0.089 120.532 120.400 0.368 0.000 2.117 255 D HA -0.078 4.562 4.640 0.000 0.000 0.198 255 D C 1.943 178.317 176.300 0.124 0.000 0.982 255 D CA 0.413 54.548 54.000 0.226 0.000 0.828 255 D CB -0.321 40.601 40.800 0.204 0.000 0.967 255 D HN 0.313 nan 8.370 nan 0.000 0.464 256 F N 1.726 121.680 119.950 0.006 0.000 2.102 256 F HA -0.131 4.396 4.527 0.000 0.000 0.298 256 F C 2.228 177.801 175.800 -0.378 0.000 1.105 256 F CA 1.577 59.458 58.000 -0.197 0.000 1.239 256 F CB -0.146 38.738 39.000 -0.194 0.000 0.991 256 F HN -0.072 nan 8.300 nan 0.000 0.474 257 A N 0.049 122.716 122.820 -0.255 0.000 1.902 257 A HA -0.235 4.085 4.320 0.000 0.000 0.217 257 A C 2.224 179.605 177.584 -0.339 0.000 1.181 257 A CA 1.921 53.629 52.037 -0.548 0.000 0.623 257 A CB -0.845 17.608 19.000 -0.910 0.000 0.818 257 A HN 0.460 nan 8.150 nan 0.000 0.443 258 K N -0.284 120.053 120.400 -0.105 0.000 2.057 258 K HA -0.056 4.265 4.320 0.000 0.000 0.207 258 K C 2.028 178.553 176.600 -0.126 0.000 1.049 258 K CA 1.333 57.597 56.287 -0.039 0.000 0.931 258 K CB -0.339 32.200 32.500 0.065 0.000 0.714 258 K HN 0.354 nan 8.250 nan 0.000 0.440 259 A N 0.367 123.067 122.820 -0.199 0.000 2.015 259 A HA 0.008 4.328 4.320 0.000 0.000 0.219 259 A C 2.110 179.506 177.584 -0.314 0.000 1.163 259 A CA 1.564 53.456 52.037 -0.241 0.000 0.646 259 A CB -0.511 18.320 19.000 -0.281 0.000 0.806 259 A HN 0.441 nan 8.150 nan 0.000 0.448 260 A N -1.925 120.639 122.820 -0.427 0.000 2.218 260 A HA 0.419 4.739 4.320 0.000 0.000 0.209 260 A C 1.755 179.206 177.584 -0.221 0.000 1.168 260 A CA 1.175 52.974 52.037 -0.396 0.000 0.804 260 A CB -0.712 17.959 19.000 -0.549 0.000 0.834 260 A HN 1.814 nan 8.150 nan 0.000 0.482 261 G N -0.827 107.868 108.800 -0.174 0.000 2.132 261 G HA2 -0.235 3.725 3.960 0.000 0.000 0.234 261 G HA3 -0.235 3.725 3.960 0.000 0.000 0.234 261 G C 0.681 175.548 174.900 -0.056 0.000 0.989 261 G CA 0.349 45.397 45.100 -0.087 0.000 0.676 261 G HN 0.445 nan 8.290 nan 0.000 0.522 262 L N -0.024 121.124 121.223 -0.125 0.000 2.549 262 L HA 0.063 4.403 4.340 0.000 0.000 0.229 262 L C 2.340 179.231 176.870 0.035 0.000 1.158 262 L CA 1.131 55.906 54.840 -0.108 0.000 0.842 262 L CB -0.308 41.526 42.059 -0.374 0.000 0.952 262 L HN 0.388 nan 8.230 nan 0.000 0.452 263 E N 0.157 120.413 120.200 0.092 0.000 2.478 263 E HA -0.170 4.180 4.350 0.000 0.000 0.198 263 E C 1.680 178.468 176.600 0.312 0.000 1.046 263 E CA 0.377 56.906 56.400 0.215 0.000 0.870 263 E CB 0.062 29.877 29.700 0.192 0.000 0.818 263 E HN 0.630 nan 8.360 nan 0.000 0.527 264 Q N 0.034 119.948 119.800 0.191 0.000 2.389 264 Q HA 0.061 4.401 4.340 0.000 0.000 0.204 264 Q C 0.343 176.458 176.000 0.192 0.000 0.944 264 Q CA 0.367 56.267 55.803 0.162 0.000 0.908 264 Q CB 0.280 29.075 28.738 0.095 0.000 1.002 264 Q HN 0.226 nan 8.270 nan 0.000 0.493 265 L N 1.924 123.289 121.223 0.237 0.000 2.260 265 L HA 0.181 4.521 4.340 0.000 0.000 0.289 265 L C -1.792 175.275 176.870 0.328 0.000 1.057 265 L CA -1.819 53.174 54.840 0.255 0.000 0.811 265 L CB 0.843 43.055 42.059 0.256 0.000 1.184 265 L HN -0.138 nan 8.230 nan 0.000 0.429 266 P HA -0.221 nan 4.420 nan 0.000 0.218 266 P C 1.378 178.805 177.300 0.212 0.000 1.148 266 P CA 1.261 64.495 63.100 0.223 0.000 0.822 266 P CB 0.075 31.863 31.700 0.147 0.000 0.784 267 W N -0.680 120.640 121.300 0.032 0.000 2.338 267 W HA -0.183 4.477 4.660 0.000 0.000 0.304 267 W C 1.964 178.407 176.519 -0.126 0.000 1.212 267 W CA 0.927 58.224 57.345 -0.079 0.000 1.264 267 W CB -0.881 28.484 29.460 -0.158 0.000 1.142 267 W HN 0.087 nan 8.180 nan 0.000 0.512 268 W N 0.891 122.028 121.300 -0.271 0.000 2.358 268 W HA -0.248 4.413 4.660 0.000 0.000 0.303 268 W C 2.301 178.547 176.519 -0.454 0.000 1.208 268 W CA 1.781 58.875 57.345 -0.418 0.000 1.274 268 W CB -0.832 28.502 29.460 -0.210 0.000 1.138 268 W HN -0.048 nan 8.180 nan 0.000 0.515 269 H N 0.546 119.418 119.070 -0.331 0.000 2.389 269 H HA -0.103 4.453 4.556 0.000 0.000 0.299 269 H C 2.099 177.104 175.328 -0.537 0.000 1.081 269 H CA 1.693 57.489 56.048 -0.420 0.000 1.345 269 H CB -0.054 29.585 29.762 -0.204 0.000 1.393 269 H HN 0.241 nan 8.280 nan 0.000 0.520 270 K N 0.403 120.540 120.400 -0.439 0.000 2.097 270 K HA -0.056 4.264 4.320 0.000 0.000 0.205 270 K C 2.393 178.616 176.600 -0.629 0.000 1.050 270 K CA 0.600 56.524 56.287 -0.605 0.000 0.938 270 K CB 0.065 32.166 32.500 -0.664 0.000 0.718 270 K HN 0.142 nan 8.250 nan 0.000 0.442 271 L N 0.721 121.487 121.223 -0.762 0.000 2.027 271 L HA -0.173 4.167 4.340 0.000 0.000 0.206 271 L C 2.715 179.214 176.870 -0.619 0.000 1.074 271 L CA 1.744 56.277 54.840 -0.511 0.000 0.745 271 L CB -0.938 40.672 42.059 -0.748 0.000 0.898 271 L HN 0.382 nan 8.230 nan 0.000 0.433 272 T N -3.854 109.990 114.554 -1.183 0.000 2.951 272 T HA -0.126 4.224 4.350 0.000 0.000 0.268 272 T C 1.514 175.943 174.700 -0.450 0.000 1.073 272 T CA 0.840 62.261 62.100 -1.133 0.000 1.134 272 T CB -0.170 67.930 68.868 -1.279 0.000 0.884 272 T HN 0.334 nan 8.240 nan 0.000 0.479 273 E N 0.385 120.305 120.200 -0.467 0.000 2.371 273 E HA -0.005 4.345 4.350 0.000 0.000 0.194 273 E C 0.228 176.442 176.600 -0.644 0.000 1.012 273 E CA 0.462 56.560 56.400 -0.504 0.000 0.860 273 E CB 0.162 29.474 29.700 -0.647 0.000 0.811 273 E HN 0.645 nan 8.360 nan 0.000 0.502 274 H N -1.091 117.911 119.070 -0.114 0.000 2.439 274 H HA 0.330 4.886 4.556 0.000 0.000 0.230 274 H C 0.411 175.973 175.328 0.390 0.000 1.420 274 H CA -0.095 56.002 56.048 0.083 0.000 1.305 274 H CB 0.851 30.569 29.762 -0.075 0.000 1.667 274 H HN 0.078 nan 8.280 nan 0.000 0.515 275 A N 0.968 124.015 122.820 0.378 0.000 1.969 275 A HA 0.228 4.548 4.320 0.000 0.000 0.218 275 A C 1.541 179.412 177.584 0.478 0.000 1.169 275 A CA 1.106 53.435 52.037 0.488 0.000 0.635 275 A CB 0.120 19.380 19.000 0.435 0.000 0.810 275 A HN 0.482 nan 8.150 nan 0.000 0.445 276 A N -2.003 121.061 122.820 0.406 0.000 2.256 276 A HA 0.532 4.852 4.320 0.000 0.000 0.318 276 A C -0.276 177.190 177.584 -0.196 0.000 1.103 276 A CA -0.535 51.677 52.037 0.291 0.000 0.860 276 A CB 0.069 19.274 19.000 0.341 0.000 1.182 276 A HN 0.404 nan 8.150 nan 0.000 0.501 277 Y N 2.210 121.897 120.300 -1.021 0.000 2.603 277 Y HA 0.203 4.753 4.550 0.000 0.000 0.341 277 Y C 0.163 175.829 175.900 -0.389 0.000 1.272 277 Y CA -1.057 56.287 58.100 -1.260 0.000 1.891 277 Y CB -0.939 36.565 38.460 -1.593 0.000 1.910 277 Y HN 0.753 nan 8.280 nan 0.000 0.432 278 D N 0.226 120.494 120.400 -0.220 0.000 2.511 278 D HA 0.295 4.935 4.640 0.000 0.000 0.276 278 D C 1.461 177.614 176.300 -0.245 0.000 1.220 278 D CA -0.015 53.902 54.000 -0.138 0.000 1.077 278 D CB 0.166 40.991 40.800 0.043 0.000 1.126 278 D HN 0.231 nan 8.370 nan 0.000 0.583 279 A N -0.706 122.019 122.820 -0.159 0.000 1.948 279 A HA -0.173 4.147 4.320 0.000 0.000 0.220 279 A C 1.970 179.410 177.584 -0.239 0.000 1.177 279 A CA 1.580 53.512 52.037 -0.175 0.000 0.636 279 A CB -1.268 17.675 19.000 -0.094 0.000 0.815 279 A HN 0.551 nan 8.150 nan 0.000 0.449 280 F N -0.933 118.706 119.950 -0.519 0.000 2.095 280 F HA -0.204 4.323 4.527 0.000 0.000 0.298 280 F C 1.920 177.322 175.800 -0.663 0.000 1.104 280 F CA 1.850 59.386 58.000 -0.774 0.000 1.232 280 F CB -0.480 37.592 39.000 -1.548 0.000 0.987 280 F HN 0.426 nan 8.300 nan 0.000 0.475 281 W N 0.193 121.257 121.300 -0.393 0.000 2.494 281 W HA -0.012 4.649 4.660 0.000 0.000 0.286 281 W C 2.528 178.763 176.519 -0.474 0.000 1.218 281 W CA 0.615 57.719 57.345 -0.402 0.000 1.313 281 W CB -0.627 28.632 29.460 -0.336 0.000 1.105 281 W HN -0.024 nan 8.180 nan 0.000 0.561 282 Q N 0.455 119.967 119.800 -0.479 0.000 2.084 282 Q HA -0.187 4.153 4.340 0.000 0.000 0.202 282 Q C 1.814 177.722 176.000 -0.154 0.000 0.978 282 Q CA 1.251 56.812 55.803 -0.403 0.000 0.844 282 Q CB -0.241 28.256 28.738 -0.401 0.000 0.898 282 Q HN 0.235 nan 8.270 nan 0.000 0.426 283 E N 0.313 120.409 120.200 -0.173 0.000 2.482 283 E HA -0.113 4.237 4.350 0.000 0.000 0.196 283 E C 1.305 177.860 176.600 -0.075 0.000 1.047 283 E CA 0.682 57.015 56.400 -0.111 0.000 0.869 283 E CB 0.204 29.825 29.700 -0.132 0.000 0.836 283 E HN 0.478 nan 8.360 nan 0.000 0.520 284 Q N -0.279 119.476 119.800 -0.075 0.000 2.352 284 Q HA 0.212 4.552 4.340 0.000 0.000 0.212 284 Q C 0.395 176.485 176.000 0.149 0.000 0.888 284 Q CA -0.127 55.693 55.803 0.028 0.000 0.934 284 Q CB 0.766 29.498 28.738 -0.010 0.000 1.093 284 Q HN 0.022 nan 8.270 nan 0.000 0.523 285 A N 1.329 124.235 122.820 0.143 0.000 2.496 285 A HA 0.053 4.374 4.320 0.000 0.000 0.278 285 A C 0.868 178.555 177.584 0.172 0.000 1.137 285 A CA 0.153 52.303 52.037 0.188 0.000 0.805 285 A CB -0.160 18.966 19.000 0.209 0.000 1.077 285 A HN 0.378 nan 8.150 nan 0.000 0.513 286 L N 1.606 122.946 121.223 0.196 0.000 2.376 286 L HA -0.089 4.251 4.340 0.000 0.000 0.219 286 L C 1.868 178.829 176.870 0.151 0.000 1.133 286 L CA 1.044 55.989 54.840 0.175 0.000 0.816 286 L CB -0.358 41.824 42.059 0.204 0.000 0.933 286 L HN 0.854 nan 8.230 nan 0.000 0.449 287 D N 0.135 120.632 120.400 0.162 0.000 2.183 287 D HA -0.188 4.452 4.640 0.000 0.000 0.203 287 D C 1.779 178.144 176.300 0.108 0.000 0.969 287 D CA 1.024 55.089 54.000 0.109 0.000 0.842 287 D CB -0.139 40.758 40.800 0.163 0.000 0.957 287 D HN 0.212 nan 8.370 nan 0.000 0.484 288 K N 0.443 120.926 120.400 0.138 0.000 2.097 288 K HA 0.030 4.350 4.320 0.000 0.000 0.205 288 K C 1.071 177.725 176.600 0.091 0.000 1.050 288 K CA 0.328 56.685 56.287 0.116 0.000 0.938 288 K CB 0.081 32.654 32.500 0.122 0.000 0.718 288 K HN 0.025 nan 8.250 nan 0.000 0.442 292 R N 0.369 120.901 120.500 0.054 0.000 2.586 292 R HA 0.400 4.740 4.340 0.000 0.000 0.336 292 R C -0.738 175.595 176.300 0.055 0.000 1.060 292 R CA 0.527 56.656 56.100 0.049 0.000 1.079 292 R CB -0.133 30.194 30.300 0.045 0.000 1.317 292 R HN 0.095 nan 8.270 nan 0.000 0.568 293 T N 3.198 117.793 114.554 0.068 0.000 2.756 293 T HA 0.350 4.700 4.350 0.000 0.000 0.290 293 T C -2.435 172.311 174.700 0.076 0.000 0.985 293 T CA -1.558 60.589 62.100 0.078 0.000 0.955 293 T CB 1.697 70.628 68.868 0.105 0.000 0.930 293 T HN 0.067 nan 8.240 nan 0.000 0.451 294 P HA 0.153 nan 4.420 nan 0.000 0.265 294 P C -0.716 176.625 177.300 0.069 0.000 1.193 294 P CA -0.543 62.592 63.100 0.059 0.000 0.765 294 P CB 0.357 32.087 31.700 0.050 0.000 0.823 295 L N 4.144 125.407 121.223 0.066 0.000 2.325 295 L HA 0.150 4.490 4.340 0.000 0.000 0.284 295 L C 1.510 178.413 176.870 0.056 0.000 1.089 295 L CA 0.910 55.795 54.840 0.074 0.000 0.836 295 L CB 0.089 42.191 42.059 0.072 0.000 1.184 295 L HN 0.505 nan 8.230 nan 0.000 0.444 296 K N 1.524 121.952 120.400 0.046 0.000 2.631 296 K HA 0.274 4.594 4.320 0.000 0.000 0.200 296 K C -0.140 176.450 176.600 -0.016 0.000 1.481 296 K CA -0.326 55.974 56.287 0.021 0.000 1.087 296 K CB 0.391 32.904 32.500 0.022 0.000 1.502 296 K HN 0.156 nan 8.250 nan 0.000 0.560 297 V N 4.559 124.458 119.914 -0.025 0.000 2.383 297 V HA 0.300 4.420 4.120 0.000 0.000 0.275 297 V C -2.490 173.555 176.094 -0.081 0.000 1.036 297 V CA -2.145 60.097 62.300 -0.097 0.000 0.889 297 V CB 0.954 32.722 31.823 -0.091 0.000 0.985 297 V HN 0.064 nan 8.190 nan 0.000 0.459 298 P HA 0.153 nan 4.420 nan 0.000 0.260 298 P C -0.100 177.272 177.300 0.121 0.000 1.185 298 P CA 0.648 63.735 63.100 -0.022 0.000 0.763 298 P CB 0.299 31.735 31.700 -0.441 0.000 0.776 302 L N 4.428 125.802 121.223 0.252 0.000 2.388 302 L HA 0.835 5.175 4.340 0.000 0.000 0.264 302 L C -0.628 176.328 176.870 0.144 0.000 0.998 302 L CA -0.372 54.538 54.840 0.117 0.000 0.817 302 L CB 1.905 43.969 42.059 0.009 0.000 1.338 302 L HN 0.593 nan 8.230 nan 0.000 0.414 303 Q N 2.712 122.582 119.800 0.116 0.000 2.804 303 Q HA 0.581 4.921 4.340 0.000 0.000 0.302 303 Q C -1.415 174.676 176.000 0.151 0.000 0.885 303 Q CA -0.881 55.006 55.803 0.141 0.000 0.759 303 Q CB 1.330 30.141 28.738 0.121 0.000 1.465 303 Q HN 0.732 nan 8.270 nan 0.000 0.432 304 G N 0.395 109.297 108.800 0.170 0.000 2.400 304 G HA2 0.445 4.405 3.960 0.000 0.000 0.301 304 G HA3 0.445 4.405 3.960 0.000 0.000 0.301 304 G C 0.206 175.051 174.900 -0.093 0.000 1.154 304 G CA -0.876 44.299 45.100 0.125 0.000 0.852 304 G HN 0.592 nan 8.290 nan 0.000 0.511 305 L N 0.384 121.406 121.223 -0.334 0.000 2.201 305 L HA 0.022 4.362 4.340 0.000 0.000 0.212 305 L C 1.099 177.675 176.870 -0.490 0.000 1.105 305 L CA 0.707 55.224 54.840 -0.539 0.000 0.775 305 L CB 0.046 41.548 42.059 -0.928 0.000 0.913 305 L HN 0.540 nan 8.230 nan 0.000 0.440 306 W N 0.130 121.359 121.300 -0.117 0.000 2.410 306 W HA 0.192 4.852 4.660 0.000 0.000 0.400 306 W C 0.054 176.517 176.519 -0.092 0.000 0.777 306 W CA -0.923 56.348 57.345 -0.123 0.000 2.632 306 W CB -0.156 29.224 29.460 -0.134 0.000 1.504 306 W HN -0.041 nan 8.180 nan 0.000 0.757 307 D N 2.480 122.948 120.400 0.112 0.000 2.367 307 D HA -0.054 4.586 4.640 0.000 0.000 0.255 307 D C 1.675 178.008 176.300 0.055 0.000 1.300 307 D CA 0.473 54.554 54.000 0.135 0.000 0.959 307 D CB 0.924 41.825 40.800 0.168 0.000 1.064 307 D HN 0.184 nan 8.370 nan 0.000 0.509 308 Q N 2.568 122.345 119.800 -0.038 0.000 2.482 308 Q HA -0.081 4.259 4.340 0.000 0.000 0.209 308 Q C 0.209 176.157 176.000 -0.087 0.000 0.961 308 Q CA 1.016 56.726 55.803 -0.155 0.000 0.945 308 Q CB 0.261 28.710 28.738 -0.481 0.000 1.012 308 Q HN 0.581 nan 8.270 nan 0.000 0.515 309 E N -0.152 119.969 120.200 -0.131 0.000 2.399 309 E HA 0.149 4.499 4.350 0.000 0.000 0.206 309 E C -0.150 176.329 176.600 -0.203 0.000 0.812 309 E CA 0.081 56.328 56.400 -0.255 0.000 1.138 309 E CB 0.704 29.971 29.700 -0.722 0.000 1.140 309 E HN 0.322 nan 8.360 nan 0.000 0.536 313 G N 2.293 111.290 108.800 0.328 0.000 2.721 313 G HA2 -0.302 3.659 3.960 0.000 0.000 0.218 313 G HA3 -0.302 3.659 3.960 0.000 0.000 0.218 313 G C 1.580 176.572 174.900 0.154 0.000 1.265 313 G CA 3.107 48.369 45.100 0.270 0.000 0.796 313 G HN 0.433 nan 8.290 nan 0.000 0.620 314 A N 0.193 123.129 122.820 0.193 0.000 1.883 314 A HA -0.045 4.275 4.320 0.000 0.000 0.217 314 A C 2.453 180.056 177.584 0.032 0.000 1.186 314 A CA 2.050 54.216 52.037 0.214 0.000 0.624 314 A CB -0.501 18.674 19.000 0.291 0.000 0.822 314 A HN 0.552 nan 8.150 nan 0.000 0.444 315 I N -0.925 119.653 120.570 0.013 0.000 2.315 315 I HA -0.185 3.985 4.170 0.000 0.000 0.248 315 I C 2.061 178.087 176.117 -0.151 0.000 1.117 315 I CA 1.878 63.147 61.300 -0.053 0.000 1.404 315 I CB -0.500 37.447 38.000 -0.088 0.000 1.071 315 I HN 0.449 nan 8.210 nan 0.000 0.419 316 H N -0.728 118.166 119.070 -0.293 0.000 2.428 316 H HA 0.041 4.597 4.556 0.000 0.000 0.296 316 H C 2.418 177.570 175.328 -0.294 0.000 1.062 316 H CA 1.553 57.387 56.048 -0.356 0.000 1.350 316 H CB -0.155 29.231 29.762 -0.627 0.000 1.403 316 H HN 0.261 nan 8.280 nan 0.000 0.533 317 S N -0.375 115.132 115.700 -0.322 0.000 2.387 317 S HA -0.148 4.322 4.470 0.000 0.000 0.226 317 S C 1.817 175.879 174.600 -0.897 0.000 1.026 317 S CA 0.832 58.609 58.200 -0.705 0.000 0.972 317 S CB -0.305 62.101 63.200 -1.324 0.000 0.814 317 S HN 0.513 nan 8.310 nan 0.000 0.477 318 Y N 2.532 122.273 120.300 -0.933 0.000 2.181 318 Y HA -0.084 4.466 4.550 0.000 0.000 0.288 318 Y C 2.310 178.073 175.900 -0.228 0.000 1.146 318 Y CA 1.093 58.863 58.100 -0.549 0.000 1.164 318 Y CB -0.692 37.657 38.460 -0.185 0.000 0.982 318 Y HN 0.202 nan 8.280 nan 0.000 0.515 319 A N 1.052 123.716 122.820 -0.260 0.000 2.015 319 A HA 0.220 4.540 4.320 0.000 0.000 0.219 319 A C 1.709 179.155 177.584 -0.231 0.000 1.163 319 A CA 0.748 52.628 52.037 -0.263 0.000 0.646 319 A CB -1.342 17.570 19.000 -0.146 0.000 0.806 319 A HN 0.548 nan 8.150 nan 0.000 0.448 323 P HA -0.046 nan 4.420 nan 0.000 0.219 323 P C 0.543 177.818 177.300 -0.042 0.000 1.146 323 P CA 1.152 64.210 63.100 -0.069 0.000 0.808 323 P CB 0.019 31.685 31.700 -0.056 0.000 0.779 324 R N -1.157 119.320 120.500 -0.038 0.000 2.359 324 R HA 0.079 4.419 4.340 0.000 0.000 0.231 324 R C 0.256 176.554 176.300 -0.004 0.000 0.913 324 R CA -0.026 56.068 56.100 -0.011 0.000 1.075 324 R CB -0.150 30.151 30.300 0.002 0.000 1.087 324 R HN 0.051 nan 8.270 nan 0.000 0.515 325 D N 1.431 121.818 120.400 -0.020 0.000 2.631 325 D HA 0.064 4.704 4.640 0.000 0.000 0.227 325 D C 0.620 176.916 176.300 -0.007 0.000 1.146 325 D CA 0.079 54.073 54.000 -0.011 0.000 1.009 325 D CB 0.369 41.146 40.800 -0.038 0.000 1.057 325 D HN -0.061 nan 8.370 nan 0.000 0.509 326 K N 0.786 121.190 120.400 0.007 0.000 2.059 326 K HA -0.139 4.181 4.320 0.000 0.000 0.212 326 K C 1.231 177.840 176.600 0.015 0.000 1.050 326 K CA 0.991 57.284 56.287 0.011 0.000 0.927 326 K CB 0.228 32.738 32.500 0.017 0.000 0.714 326 K HN 0.215 nan 8.250 nan 0.000 0.447 327 R N 0.429 120.943 120.500 0.024 0.000 2.334 327 R HA 0.062 4.402 4.340 0.000 0.000 0.216 327 R C 0.232 176.549 176.300 0.028 0.000 0.905 327 R CA -0.016 56.103 56.100 0.033 0.000 1.064 327 R CB -0.489 29.841 30.300 0.049 0.000 1.046 327 R HN 0.247 nan 8.270 nan 0.000 0.508 328 N N 1.012 119.712 118.700 0.000 0.000 2.747 328 N HA -0.142 4.598 4.740 0.000 0.000 0.249 328 N C -0.239 175.219 175.510 -0.087 0.000 1.107 328 N CA 1.404 54.425 53.050 -0.048 0.000 0.707 328 N CB -1.142 37.335 38.487 -0.017 0.000 1.054 328 N HN 0.462 nan 8.380 nan 0.000 0.555 329 T N -3.991 110.562 114.554 -0.002 0.000 3.170 329 T HA 0.398 4.748 4.350 0.000 0.000 0.288 329 T C 1.249 176.134 174.700 0.308 0.000 0.992 329 T CA -0.223 61.980 62.100 0.171 0.000 0.909 329 T CB 0.060 69.070 68.868 0.238 0.000 1.133 329 T HN 0.175 nan 8.240 nan 0.000 0.530 330 L N -0.177 121.130 121.223 0.139 0.000 2.878 330 L HA 0.510 4.850 4.340 0.000 0.000 0.253 330 L C -0.004 177.007 176.870 0.235 0.000 1.135 330 L CA -0.127 54.846 54.840 0.222 0.000 0.943 330 L CB 0.640 42.776 42.059 0.128 0.000 1.307 330 L HN 0.123 nan 8.230 nan 0.000 0.545 331 N N -0.416 118.322 118.700 0.064 0.000 2.519 331 N HA 0.375 5.115 4.740 0.000 0.000 0.286 331 N C -1.560 174.019 175.510 0.114 0.000 1.079 331 N CA -0.243 52.930 53.050 0.204 0.000 0.878 331 N CB 1.030 39.609 38.487 0.152 0.000 1.375 331 N HN -0.123 nan 8.380 nan 0.000 0.514 332 Y N 1.554 122.074 120.300 0.368 0.000 2.562 332 Y HA 0.649 5.199 4.550 0.000 0.000 0.343 332 Y C -0.680 175.363 175.900 0.238 0.000 1.025 332 Y CA -1.053 57.196 58.100 0.249 0.000 1.082 332 Y CB 1.651 40.091 38.460 -0.034 0.000 1.264 332 Y HN 0.357 nan 8.280 nan 0.000 0.478 333 L N 1.886 123.161 121.223 0.087 0.000 2.386 333 L HA 0.889 5.230 4.340 0.000 0.000 0.271 333 L C -1.384 175.431 176.870 -0.092 0.000 0.993 333 L CA -0.576 54.130 54.840 -0.223 0.000 0.819 333 L CB 1.654 43.139 42.059 -0.956 0.000 1.294 333 L HN 0.503 nan 8.230 nan 0.000 0.414 337 P HA 0.289 nan 4.420 nan 0.000 0.219 337 P C -1.043 175.912 177.300 -0.575 0.000 1.832 337 P CA -0.117 62.242 63.100 -1.235 0.000 1.014 337 P CB -0.227 30.262 31.700 -2.019 0.000 1.939 338 W N 2.348 123.572 121.300 -0.127 0.000 2.882 338 W HA 0.409 5.069 4.660 0.000 0.000 0.345 338 W C 0.595 177.184 176.519 0.117 0.000 1.125 338 W CA -0.816 56.536 57.345 0.012 0.000 1.167 338 W CB 1.159 30.586 29.460 -0.055 0.000 1.431 338 W HN 0.077 nan 8.180 nan 0.000 0.543 339 R N -0.203 120.508 120.500 0.351 0.000 2.541 339 R HA 0.373 4.713 4.340 0.000 0.000 0.254 339 R C -0.177 176.249 176.300 0.210 0.000 1.130 339 R CA -0.759 55.469 56.100 0.214 0.000 1.152 339 R CB -0.261 30.093 30.300 0.091 0.000 1.222 339 R HN 0.367 nan 8.270 nan 0.000 0.579 340 H N 0.211 119.320 119.070 0.065 0.000 3.157 340 H HA 0.031 4.587 4.556 0.000 0.000 0.299 340 H C -0.237 175.151 175.328 0.101 0.000 0.961 340 H CA 1.700 57.797 56.048 0.081 0.000 1.428 340 H CB 0.012 29.810 29.762 0.059 0.000 1.459 340 H HN 0.723 nan 8.280 nan 0.000 0.566 341 S N 1.920 117.429 115.700 -0.318 0.000 3.127 341 S HA -0.338 4.132 4.470 0.000 0.000 0.281 341 S C 1.574 176.173 174.600 -0.002 0.000 1.293 341 S CA 1.227 59.314 58.200 -0.187 0.000 1.156 341 S CB -1.348 61.777 63.200 -0.125 0.000 1.389 341 S HN 0.912 nan 8.310 nan 0.000 0.672 342 Q N 0.425 120.205 119.800 -0.033 0.000 2.364 342 Q HA -0.004 4.336 4.340 0.000 0.000 0.207 342 Q C 1.969 177.705 176.000 -0.441 0.000 0.970 342 Q CA 1.382 57.155 55.803 -0.050 0.000 0.888 342 Q CB -0.128 28.622 28.738 0.019 0.000 0.951 342 Q HN 0.623 nan 8.270 nan 0.000 0.469 343 V N 1.307 120.750 119.914 -0.785 0.000 2.568 343 V HA -0.199 3.921 4.120 0.000 0.000 0.253 343 V C 0.915 176.708 176.094 -0.501 0.000 1.072 343 V CA 1.732 63.386 62.300 -1.076 0.000 1.084 343 V CB -0.250 30.987 31.823 -0.976 0.000 0.676 343 V HN 0.454 nan 8.190 nan 0.000 0.469 344 N N -1.431 117.032 118.700 -0.395 0.000 2.268 344 N HA 0.162 4.902 4.740 0.000 0.000 0.204 344 N C -0.288 174.768 175.510 -0.758 0.000 1.124 344 N CA 0.210 52.957 53.050 -0.505 0.000 0.838 344 N CB 0.437 38.607 38.487 -0.528 0.000 0.994 344 N HN 0.594 nan 8.380 nan 0.000 0.489 345 Y N -0.346 119.868 120.300 -0.142 0.000 3.345 345 Y HA 0.311 4.861 4.550 0.000 0.000 0.279 345 Y C 0.039 175.900 175.900 -0.064 0.000 1.980 345 Y CA -1.056 56.995 58.100 -0.082 0.000 0.912 345 Y CB 0.098 38.522 38.460 -0.060 0.000 1.460 345 Y HN -0.257 nan 8.280 nan 0.000 0.605 346 D N 0.002 120.506 120.400 0.174 0.000 2.317 346 D HA 0.290 4.930 4.640 0.000 0.000 0.234 346 D C 0.215 176.604 176.300 0.147 0.000 1.112 346 D CA -0.101 53.971 54.000 0.121 0.000 0.840 346 D CB 1.378 42.240 40.800 0.103 0.000 1.078 346 D HN 0.714 nan 8.370 nan 0.000 0.486 347 G N 2.118 111.033 108.800 0.192 0.000 3.609 347 G HA2 0.027 3.987 3.960 0.000 0.000 0.280 347 G HA3 0.027 3.987 3.960 0.000 0.000 0.280 347 G C 1.024 176.156 174.900 0.386 0.000 1.155 347 G CA -0.275 45.031 45.100 0.343 0.000 0.876 347 G HN 0.411 nan 8.290 nan 0.000 0.535 348 S N -0.077 115.780 115.700 0.263 0.000 2.461 348 S HA 0.479 4.949 4.470 0.000 0.000 0.228 348 S C 1.057 175.730 174.600 0.122 0.000 1.005 348 S CA 0.740 59.065 58.200 0.208 0.000 0.942 348 S CB 0.282 63.549 63.200 0.111 0.000 0.776 348 S HN 0.775 nan 8.310 nan 0.000 0.514 349 A N 0.309 123.187 122.820 0.096 0.000 2.601 349 A HA 0.742 5.063 4.320 0.000 0.000 0.291 349 A C -2.211 175.343 177.584 -0.050 0.000 1.075 349 A CA -0.649 51.250 52.037 -0.231 0.000 0.671 349 A CB 1.084 19.951 19.000 -0.221 0.000 1.277 349 A HN 0.204 nan 8.150 nan 0.000 0.417 350 L N 1.074 122.161 121.223 -0.228 0.000 2.611 350 L HA 0.641 4.981 4.340 0.000 0.000 0.263 350 L C 0.656 177.391 176.870 -0.225 0.000 0.969 350 L CA 1.603 56.395 54.840 -0.081 0.000 0.894 350 L CB 1.043 43.171 42.059 0.114 0.000 1.229 350 L HN 2.613 nan 8.230 nan 0.000 0.416 351 G N 3.670 112.369 108.800 -0.169 0.000 2.583 351 G HA2 -0.245 3.716 3.960 0.000 0.000 0.292 351 G HA3 -0.245 3.716 3.960 0.000 0.000 0.292 351 G C 0.799 175.563 174.900 -0.228 0.000 1.203 351 G CA 0.412 45.405 45.100 -0.177 0.000 0.987 351 G HN 1.637 nan 8.290 nan 0.000 0.554 352 A N -0.178 122.484 122.820 -0.263 0.000 2.206 352 A HA 0.554 4.875 4.320 0.000 0.000 0.211 352 A C 1.357 178.684 177.584 -0.428 0.000 1.158 352 A CA 1.027 52.874 52.037 -0.317 0.000 0.761 352 A CB -0.275 18.529 19.000 -0.328 0.000 0.801 352 A HN 0.762 nan 8.150 nan 0.000 0.473 353 L N 1.322 122.253 121.223 -0.487 0.000 2.349 353 L HA 0.254 4.594 4.340 0.000 0.000 0.275 353 L C -0.352 176.056 176.870 -0.769 0.000 1.115 353 L CA -0.377 54.112 54.840 -0.585 0.000 0.820 353 L CB 0.535 42.245 42.059 -0.581 0.000 1.135 353 L HN 0.243 nan 8.230 nan 0.000 0.445 354 N N 2.468 120.789 118.700 -0.632 0.000 2.342 354 N HA 0.524 5.264 4.740 0.000 0.000 0.293 354 N C -1.046 174.182 175.510 -0.471 0.000 1.026 354 N CA -0.410 52.313 53.050 -0.544 0.000 0.857 354 N CB 2.183 40.525 38.487 -0.241 0.000 1.256 354 N HN 0.197 nan 8.380 nan 0.000 0.484 355 F N 0.117 120.072 119.950 0.009 0.000 2.509 355 F HA 0.306 4.833 4.527 0.000 0.000 0.334 355 F C 1.181 177.026 175.800 0.076 0.000 1.060 355 F CA -0.936 57.084 58.000 0.034 0.000 0.997 355 F CB 0.555 39.484 39.000 -0.119 0.000 1.271 355 F HN 0.145 nan 8.300 nan 0.000 0.488 356 E N 1.759 122.175 120.200 0.359 0.000 1.802 356 E HA 0.402 4.752 4.350 0.000 0.000 0.265 356 E C 0.514 177.261 176.600 0.245 0.000 1.168 356 E CA 0.165 56.717 56.400 0.252 0.000 1.033 356 E CB -0.083 29.761 29.700 0.240 0.000 1.095 356 E HN 0.785 nan 8.360 nan 0.000 0.436 357 G N 3.072 111.991 108.800 0.197 0.000 2.757 357 G HA2 -0.244 3.716 3.960 0.000 0.000 0.638 357 G HA3 -0.244 3.716 3.960 0.000 0.000 0.638 357 G C -0.437 174.592 174.900 0.215 0.000 1.344 357 G CA -0.631 44.580 45.100 0.184 0.000 0.855 357 G HN 0.474 nan 8.290 nan 0.000 0.537 358 D N 0.836 121.353 120.400 0.194 0.000 2.441 358 D HA 0.332 4.972 4.640 0.000 0.000 0.243 358 D C 2.170 178.653 176.300 0.304 0.000 1.257 358 D CA 0.785 54.913 54.000 0.212 0.000 1.027 358 D CB 0.009 40.896 40.800 0.145 0.000 1.084 358 D HN 0.762 nan 8.370 nan 0.000 0.514 359 T N 0.665 115.443 114.554 0.373 0.000 2.881 359 T HA -0.131 4.219 4.350 0.000 0.000 0.270 359 T C 1.790 176.965 174.700 0.791 0.000 1.068 359 T CA 0.942 63.383 62.100 0.569 0.000 1.131 359 T CB -0.010 68.967 68.868 0.181 0.000 0.871 359 T HN 0.254 nan 8.240 nan 0.000 0.479 360 A N 2.120 125.269 122.820 0.548 0.000 1.872 360 A HA 0.094 4.415 4.320 0.000 0.000 0.214 360 A C 2.450 180.175 177.584 0.235 0.000 1.187 360 A CA 1.619 53.810 52.037 0.256 0.000 0.614 360 A CB -0.678 18.262 19.000 -0.101 0.000 0.826 360 A HN 0.459 nan 8.150 nan 0.000 0.442 361 R N 0.195 120.802 120.500 0.178 0.000 2.096 361 R HA -0.107 4.233 4.340 0.000 0.000 0.235 361 R C 2.094 178.480 176.300 0.142 0.000 1.127 361 R CA 2.107 58.267 56.100 0.099 0.000 0.968 361 R CB -0.790 29.549 30.300 0.064 0.000 0.861 361 R HN 0.666 nan 8.270 nan 0.000 0.440 362 Q N -0.983 118.973 119.800 0.259 0.000 2.096 362 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 362 Q C 1.858 177.980 176.000 0.202 0.000 0.982 362 Q CA 1.928 57.891 55.803 0.266 0.000 0.850 362 Q CB -0.347 28.654 28.738 0.438 0.000 0.901 362 Q HN 0.416 nan 8.270 nan 0.000 0.422 363 F N 1.228 121.298 119.950 0.200 0.000 2.113 363 F HA -0.128 4.399 4.527 0.000 0.000 0.297 363 F C 2.059 177.819 175.800 -0.067 0.000 1.103 363 F CA 1.367 59.420 58.000 0.089 0.000 1.248 363 F CB -0.065 39.141 39.000 0.343 0.000 0.999 363 F HN -0.159 nan 8.300 nan 0.000 0.475 364 R N -0.842 119.446 120.500 -0.353 0.000 2.091 364 R HA -0.208 4.132 4.340 0.000 0.000 0.238 364 R C 2.477 178.492 176.300 -0.474 0.000 1.136 364 R CA 1.673 57.429 56.100 -0.574 0.000 0.959 364 R CB -0.981 29.132 30.300 -0.312 0.000 0.856 364 R HN 0.496 nan 8.270 nan 0.000 0.437 365 H N 0.485 119.357 119.070 -0.330 0.000 2.384 365 H HA -0.028 4.529 4.556 0.000 0.000 0.300 365 H C 0.881 176.063 175.328 -0.245 0.000 1.057 365 H CA 1.157 57.056 56.048 -0.249 0.000 1.370 365 H CB 0.433 30.110 29.762 -0.142 0.000 1.417 365 H HN 0.107 nan 8.280 nan 0.000 0.527 366 D N -0.168 120.138 120.400 -0.156 0.000 2.249 366 D HA -0.026 4.614 4.640 0.000 0.000 0.205 366 D C 2.025 178.095 176.300 -0.383 0.000 0.962 366 D CA 0.528 54.401 54.000 -0.212 0.000 0.860 366 D CB 0.562 41.284 40.800 -0.131 0.000 0.955 366 D HN 0.239 nan 8.370 nan 0.000 0.505 367 V N 0.080 119.673 119.914 -0.534 0.000 2.948 367 V HA 0.030 4.150 4.120 0.000 0.000 0.234 367 V C 1.928 177.711 176.094 -0.518 0.000 1.205 367 V CA 0.062 62.008 62.300 -0.590 0.000 1.234 367 V CB 0.027 31.388 31.823 -0.770 0.000 1.020 367 V HN 0.032 nan 8.190 nan 0.000 0.491 368 L N 1.001 121.738 121.223 -0.811 0.000 2.027 368 L HA -0.072 4.268 4.340 0.000 0.000 0.206 368 L C 2.513 179.183 176.870 -0.333 0.000 1.074 368 L CA 2.372 56.831 54.840 -0.634 0.000 0.745 368 L CB -0.668 40.775 42.059 -1.027 0.000 0.898 368 L HN 0.305 nan 8.230 nan 0.000 0.433 369 R N 0.223 120.484 120.500 -0.399 0.000 2.070 369 R HA -0.093 4.247 4.340 0.000 0.000 0.233 369 R C -0.608 175.658 176.300 -0.057 0.000 1.137 369 R CA 2.088 58.046 56.100 -0.238 0.000 0.945 369 R CB -1.844 28.259 30.300 -0.328 0.000 0.845 369 R HN 0.292 nan 8.270 nan 0.000 0.430 370 P HA -0.087 nan 4.420 nan 0.000 0.218 370 P C 0.963 178.293 177.300 0.051 0.000 1.149 370 P CA 0.938 64.007 63.100 -0.051 0.000 0.817 370 P CB -0.208 31.425 31.700 -0.111 0.000 0.785 371 F N -0.712 119.195 119.950 -0.072 0.000 2.102 371 F HA -0.140 4.387 4.527 0.000 0.000 0.298 371 F C 1.980 177.930 175.800 0.251 0.000 1.105 371 F CA 1.353 59.368 58.000 0.024 0.000 1.239 371 F CB -0.911 38.066 39.000 -0.039 0.000 0.991 371 F HN -0.227 nan 8.300 nan 0.000 0.474 372 F N 1.051 120.987 119.950 -0.023 0.000 2.163 372 F HA -0.114 4.413 4.527 0.000 0.000 0.297 372 F C 2.347 178.188 175.800 0.067 0.000 1.094 372 F CA 1.530 59.521 58.000 -0.015 0.000 1.290 372 F CB -1.059 37.997 39.000 0.093 0.000 1.017 372 F HN -0.053 nan 8.300 nan 0.000 0.483 373 D N -0.322 120.234 120.400 0.259 0.000 2.123 373 D HA -0.231 4.409 4.640 0.000 0.000 0.196 373 D C 2.229 178.503 176.300 -0.042 0.000 0.992 373 D CA 1.199 55.278 54.000 0.132 0.000 0.833 373 D CB -0.517 40.330 40.800 0.078 0.000 0.954 373 D HN 0.361 nan 8.370 nan 0.000 0.455 374 Q N -0.787 118.928 119.800 -0.140 0.000 2.096 374 Q HA -0.213 4.127 4.340 0.000 0.000 0.204 374 Q C 1.221 176.941 176.000 -0.466 0.000 0.982 374 Q CA 1.411 57.002 55.803 -0.352 0.000 0.850 374 Q CB -0.098 28.321 28.738 -0.532 0.000 0.901 374 Q HN 0.394 nan 8.270 nan 0.000 0.422 375 Y N -0.990 119.192 120.300 -0.196 0.000 2.462 375 Y HA 0.200 4.750 4.550 0.000 0.000 0.261 375 Y C 1.251 177.026 175.900 -0.208 0.000 1.146 375 Y CA 0.178 58.142 58.100 -0.227 0.000 1.283 375 Y CB 0.722 38.972 38.460 -0.349 0.000 1.090 375 Y HN 0.079 nan 8.280 nan 0.000 0.526 376 L N -2.070 119.119 121.223 -0.057 0.000 2.730 376 L HA 0.237 4.577 4.340 0.000 0.000 0.236 376 L C -0.069 176.727 176.870 -0.123 0.000 1.061 376 L CA 0.055 54.845 54.840 -0.083 0.000 0.898 376 L CB 0.481 42.522 42.059 -0.031 0.000 1.270 376 L HN -0.308 nan 8.230 nan 0.000 0.500 377 V N 1.442 121.286 119.914 -0.118 0.000 2.406 377 V HA 0.155 4.275 4.120 0.000 0.000 0.272 377 V C -0.553 175.472 176.094 -0.115 0.000 1.043 377 V CA -0.766 61.441 62.300 -0.154 0.000 0.915 377 V CB 1.113 32.850 31.823 -0.143 0.000 0.988 377 V HN 0.087 nan 8.190 nan 0.000 0.466 378 D N 4.144 124.478 120.400 -0.110 0.000 2.487 378 D HA 0.333 4.973 4.640 0.000 0.000 0.243 378 D C 1.263 177.517 176.300 -0.076 0.000 1.154 378 D CA 1.668 55.617 54.000 -0.086 0.000 0.876 378 D CB 0.919 41.672 40.800 -0.078 0.000 1.161 378 D HN 0.955 nan 8.370 nan 0.000 0.478 379 G N 1.421 110.180 108.800 -0.069 0.000 2.179 379 G HA2 -0.225 3.735 3.960 0.000 0.000 0.260 379 G HA3 -0.225 3.735 3.960 0.000 0.000 0.260 379 G C 0.557 175.419 174.900 -0.065 0.000 0.977 379 G CA 0.285 45.349 45.100 -0.061 0.000 0.641 379 G HN 0.873 nan 8.290 nan 0.000 0.533 380 A N 1.233 124.007 122.820 -0.077 0.000 2.462 380 A HA 0.652 4.972 4.320 0.000 0.000 0.243 380 A C -0.603 176.928 177.584 -0.089 0.000 1.076 380 A CA -0.125 51.865 52.037 -0.078 0.000 0.773 380 A CB 0.256 19.208 19.000 -0.081 0.000 1.010 380 A HN 0.379 nan 8.150 nan 0.000 0.493 381 P HA 0.261 nan 4.420 nan 0.000 0.276 381 P C -0.652 176.583 177.300 -0.107 0.000 1.261 381 P CA -0.533 62.519 63.100 -0.080 0.000 0.800 381 P CB 0.607 32.272 31.700 -0.058 0.000 1.066 382 K N 0.063 120.401 120.400 -0.103 0.000 2.295 382 K HA 0.448 4.768 4.320 0.000 0.000 0.270 382 K C 0.190 176.745 176.600 -0.075 0.000 1.011 382 K CA -0.245 55.971 56.287 -0.118 0.000 0.953 382 K CB 0.526 32.977 32.500 -0.081 0.000 0.956 382 K HN 0.548 nan 8.250 nan 0.000 0.477 383 A N 1.836 124.618 122.820 -0.063 0.000 2.303 383 A HA 0.132 4.452 4.320 0.000 0.000 0.317 383 A C -0.389 177.196 177.584 0.002 0.000 1.149 383 A CA -0.525 51.493 52.037 -0.031 0.000 0.822 383 A CB 0.750 19.739 19.000 -0.017 0.000 1.131 383 A HN 0.762 nan 8.150 nan 0.000 0.493 384 D N 1.478 121.871 120.400 -0.010 0.000 2.845 384 D HA 0.211 4.851 4.640 0.000 0.000 0.235 384 D C -0.104 176.197 176.300 0.001 0.000 1.158 384 D CA 0.222 54.230 54.000 0.013 0.000 0.990 384 D CB -0.431 40.371 40.800 0.003 0.000 1.094 384 D HN 0.374 nan 8.370 nan 0.000 0.486 385 T N 3.408 117.971 114.554 0.016 0.000 2.829 385 T HA 0.137 4.487 4.350 0.000 0.000 0.293 385 T C -2.170 172.584 174.700 0.090 0.000 0.970 385 T CA -0.995 61.069 62.100 -0.060 0.000 1.168 385 T CB 0.908 69.637 68.868 -0.231 0.000 0.911 385 T HN 0.280 nan 8.240 nan 0.000 0.535 386 P HA 0.207 nan 4.420 nan 0.000 0.271 386 P C -2.198 175.269 177.300 0.279 0.000 1.226 386 P CA -1.749 61.429 63.100 0.130 0.000 0.765 386 P CB 0.753 32.508 31.700 0.091 0.000 0.835 387 P HA -0.130 nan 4.420 nan 0.000 0.217 387 P C 0.103 177.522 177.300 0.198 0.000 1.148 387 P CA 1.400 64.597 63.100 0.161 0.000 0.834 387 P CB 0.207 31.948 31.700 0.068 0.000 0.783 388 V N -0.807 119.214 119.914 0.179 0.000 2.623 388 V HA 0.377 4.497 4.120 0.000 0.000 0.304 388 V C -1.094 175.116 176.094 0.193 0.000 1.054 388 V CA -0.607 61.759 62.300 0.110 0.000 0.882 388 V CB 2.192 34.068 31.823 0.087 0.000 1.002 388 V HN -0.188 nan 8.190 nan 0.000 0.424 389 F N 6.487 126.405 119.950 -0.054 0.000 2.430 389 F HA 0.735 5.262 4.527 0.000 0.000 0.362 389 F C -0.725 175.110 175.800 0.059 0.000 1.103 389 F CA -1.071 56.915 58.000 -0.023 0.000 1.045 389 F CB 1.067 39.983 39.000 -0.140 0.000 1.276 389 F HN 0.437 nan 8.300 nan 0.000 0.444 390 I N 6.008 126.526 120.570 -0.086 0.000 2.569 390 I HA 0.347 4.517 4.170 0.000 0.000 0.290 390 I C -1.757 174.144 176.117 -0.360 0.000 1.088 390 I CA -0.892 60.230 61.300 -0.296 0.000 1.047 390 I CB 1.529 39.141 38.000 -0.646 0.000 1.237 390 I HN 0.500 nan 8.210 nan 0.000 0.421 391 Y N 7.163 126.935 120.300 -0.881 0.000 2.304 391 Y HA 0.315 4.865 4.550 0.000 0.000 0.328 391 Y C 0.153 175.589 175.900 -0.774 0.000 1.123 391 Y CA -0.035 57.392 58.100 -1.122 0.000 1.218 391 Y CB 0.773 38.220 38.460 -1.689 0.000 1.207 391 Y HN 0.517 nan 8.280 nan 0.000 0.495 392 N N 3.312 121.399 118.700 -1.022 0.000 2.437 392 N HA 0.016 4.756 4.740 0.000 0.000 0.243 392 N C 0.526 175.657 175.510 -0.632 0.000 1.041 392 N CA 0.269 52.877 53.050 -0.738 0.000 0.940 392 N CB 1.051 39.042 38.487 -0.828 0.000 1.133 392 N HN 0.875 nan 8.380 nan 0.000 0.506 393 T N -0.234 114.173 114.554 -0.244 0.000 3.113 393 T HA 0.027 4.377 4.350 0.000 0.000 0.263 393 T C 1.505 176.307 174.700 0.171 0.000 1.143 393 T CA 0.773 62.927 62.100 0.089 0.000 1.090 393 T CB 0.070 68.985 68.868 0.077 0.000 0.922 393 T HN 0.412 nan 8.240 nan 0.000 0.521 394 G N 1.028 109.712 108.800 -0.193 0.000 2.608 394 G HA2 0.133 4.093 3.960 0.000 0.000 0.210 394 G HA3 0.133 4.093 3.960 0.000 0.000 0.210 394 G C 1.375 176.074 174.900 -0.335 0.000 1.139 394 G CA -0.161 44.646 45.100 -0.488 0.000 0.812 394 G HN 0.558 nan 8.290 nan 0.000 0.529 395 E N 0.306 120.288 120.200 -0.362 0.000 2.452 395 E HA 0.079 4.429 4.350 0.000 0.000 0.197 395 E C 0.028 176.501 176.600 -0.213 0.000 1.022 395 E CA -0.383 55.866 56.400 -0.252 0.000 0.890 395 E CB 0.307 29.875 29.700 -0.219 0.000 0.918 395 E HN 0.131 nan 8.360 nan 0.000 0.496 396 N N 1.929 120.414 118.700 -0.357 0.000 2.681 396 N HA -0.154 4.586 4.740 0.000 0.000 0.259 396 N C -1.400 173.877 175.510 -0.388 0.000 1.066 396 N CA 1.438 54.333 53.050 -0.259 0.000 0.717 396 N CB -1.423 37.122 38.487 0.096 0.000 0.885 396 N HN 0.514 nan 8.380 nan 0.000 0.547 397 H N -3.730 114.757 119.070 -0.972 0.000 3.037 397 H HA 0.516 5.072 4.556 0.000 0.000 0.336 397 H C -1.033 173.766 175.328 -0.881 0.000 1.323 397 H CA -0.925 54.724 56.048 -0.664 0.000 1.159 397 H CB 0.029 29.638 29.762 -0.255 0.000 1.882 397 H HN 0.092 nan 8.280 nan 0.000 0.535 398 W N 1.086 122.256 121.300 -0.216 0.000 2.184 398 W HA 0.397 5.057 4.660 0.000 0.000 0.338 398 W C -0.419 176.063 176.519 -0.062 0.000 1.257 398 W CA 0.351 57.538 57.345 -0.264 0.000 1.243 398 W CB 0.853 30.193 29.460 -0.200 0.000 1.122 398 W HN 0.510 nan 8.180 nan 0.000 0.585 399 D N 1.569 122.062 120.400 0.156 0.000 2.502 399 D HA 0.310 4.950 4.640 0.000 0.000 0.249 399 D C -0.758 175.675 176.300 0.221 0.000 1.092 399 D CA -0.807 53.291 54.000 0.162 0.000 0.839 399 D CB 1.425 42.262 40.800 0.062 0.000 1.264 399 D HN 0.125 nan 8.370 nan 0.000 0.511 400 R N 2.136 122.779 120.500 0.239 0.000 2.246 400 R HA 0.567 4.907 4.340 0.000 0.000 0.332 400 R C -0.430 175.976 176.300 0.177 0.000 0.974 400 R CA -0.360 55.889 56.100 0.249 0.000 0.837 400 R CB 0.973 31.403 30.300 0.217 0.000 1.145 400 R HN 0.255 nan 8.270 nan 0.000 0.467 401 L N 1.707 123.037 121.223 0.178 0.000 2.309 401 L HA 0.490 4.830 4.340 0.000 0.000 0.261 401 L C 0.860 177.822 176.870 0.153 0.000 1.021 401 L CA -1.057 53.881 54.840 0.162 0.000 0.823 401 L CB 1.690 43.871 42.059 0.204 0.000 1.366 401 L HN 0.359 nan 8.230 nan 0.000 0.423 402 K N 0.391 120.871 120.400 0.133 0.000 2.356 402 K HA 0.433 4.753 4.320 0.000 0.000 0.195 402 K C -0.014 176.668 176.600 0.136 0.000 1.037 402 K CA 0.302 56.658 56.287 0.115 0.000 1.014 402 K CB 0.963 33.514 32.500 0.084 0.000 0.815 402 K HN 0.653 nan 8.250 nan 0.000 0.507 403 A N 0.087 123.010 122.820 0.171 0.000 2.610 403 A HA 0.643 4.963 4.320 0.000 0.000 0.291 403 A C -2.029 175.740 177.584 0.308 0.000 1.086 403 A CA -0.737 51.428 52.037 0.212 0.000 0.677 403 A CB 1.515 20.588 19.000 0.122 0.000 1.278 403 A HN 0.210 nan 8.150 nan 0.000 0.414 404 W N 2.361 123.720 121.300 0.098 0.000 3.573 404 W HA 0.519 5.179 4.660 0.000 0.000 0.306 404 W C -2.922 173.647 176.519 0.084 0.000 1.227 404 W CA -1.228 56.146 57.345 0.049 0.000 1.212 404 W CB 1.806 31.247 29.460 -0.031 0.000 1.331 404 W HN 0.761 nan 8.180 nan 0.000 0.524 405 P HA 0.381 nan 4.420 nan 0.000 0.276 405 P C 0.373 177.217 177.300 -0.760 0.000 1.252 405 P CA -0.076 62.193 63.100 -1.385 0.000 0.802 405 P CB 1.443 32.547 31.700 -0.994 0.000 1.035 406 R N -0.496 119.475 120.500 -0.882 0.000 2.200 406 R HA 0.152 4.492 4.340 0.000 0.000 0.208 406 R C 0.828 176.948 176.300 -0.300 0.000 1.033 406 R CA 0.543 56.402 56.100 -0.402 0.000 1.000 406 R CB 0.063 30.189 30.300 -0.288 0.000 0.906 406 R HN 0.437 nan 8.270 nan 0.000 0.462 407 S N -0.059 115.426 115.700 -0.359 0.000 2.548 407 S HA 0.538 5.008 4.470 0.000 0.000 0.276 407 S C -0.885 173.593 174.600 -0.204 0.000 1.129 407 S CA -0.851 57.217 58.200 -0.220 0.000 0.931 407 S CB 1.150 64.252 63.200 -0.163 0.000 1.068 407 S HN 0.364 nan 8.310 nan 0.000 0.480 408 c N 2.182 120.701 118.600 -0.134 0.000 3.284 408 c HA 0.620 5.190 4.570 0.000 0.000 0.348 408 c C 1.008 175.065 174.090 -0.055 0.000 1.448 408 c CA -0.618 55.654 56.329 -0.096 0.000 1.223 408 c CB 0.246 42.690 42.510 -0.110 0.000 1.588 408 c HN 0.684 nan 8.230 nan 0.000 0.451 409 D N 1.551 121.935 120.400 -0.026 0.000 2.158 409 D HA -0.000 4.640 4.640 0.000 0.000 0.197 409 D C 0.420 176.709 176.300 -0.019 0.000 0.995 409 D CA 2.261 56.256 54.000 -0.007 0.000 0.846 409 D CB -0.078 40.735 40.800 0.022 0.000 0.941 409 D HN 0.806 nan 8.370 nan 0.000 0.456 410 K N -3.685 116.700 120.400 -0.026 0.000 2.569 410 K HA 0.540 4.861 4.320 0.000 0.000 0.259 410 K C 0.274 176.854 176.600 -0.033 0.000 0.932 410 K CA -0.405 55.866 56.287 -0.027 0.000 0.833 410 K CB 1.646 34.138 32.500 -0.015 0.000 1.340 410 K HN -0.054 nan 8.250 nan 0.000 0.429 411 G N 0.193 108.972 108.800 -0.035 0.000 2.179 411 G HA2 -0.203 3.757 3.960 0.000 0.000 0.220 411 G HA3 -0.203 3.757 3.960 0.000 0.000 0.220 411 G C 0.082 174.953 174.900 -0.048 0.000 0.990 411 G CA -0.066 45.012 45.100 -0.036 0.000 0.646 411 G HN 0.803 nan 8.290 nan 0.000 0.517 412 c N -0.057 118.505 118.600 -0.063 0.000 2.423 412 c HA 0.825 5.396 4.570 0.000 0.000 0.378 412 c C 2.294 176.343 174.090 -0.069 0.000 1.244 412 c CA 0.271 56.552 56.329 -0.081 0.000 1.978 412 c CB 1.205 43.641 42.510 -0.124 0.000 2.252 412 c HN 0.883 nan 8.230 nan 0.000 0.526 413 A N 0.357 123.134 122.820 -0.072 0.000 1.972 413 A HA 0.369 4.689 4.320 0.000 0.000 0.219 413 A C 0.990 178.537 177.584 -0.061 0.000 1.169 413 A CA 1.855 53.858 52.037 -0.056 0.000 0.635 413 A CB -0.332 18.638 19.000 -0.049 0.000 0.810 413 A HN 1.165 nan 8.150 nan 0.000 0.446 414 A N -1.704 121.068 122.820 -0.080 0.000 2.384 414 A HA 0.660 4.980 4.320 0.000 0.000 0.312 414 A C -0.271 177.266 177.584 -0.078 0.000 1.113 414 A CA -0.337 51.654 52.037 -0.077 0.000 0.779 414 A CB 0.962 19.911 19.000 -0.085 0.000 1.307 414 A HN 0.102 nan 8.150 nan 0.000 0.436 415 T N 1.703 116.216 114.554 -0.069 0.000 2.823 415 T HA 0.533 4.883 4.350 0.000 0.000 0.279 415 T C 0.504 175.170 174.700 -0.056 0.000 0.998 415 T CA -0.074 61.990 62.100 -0.060 0.000 0.994 415 T CB 1.187 70.024 68.868 -0.052 0.000 0.960 415 T HN 1.051 nan 8.240 nan 0.000 0.448 416 S N 3.141 118.816 115.700 -0.041 0.000 2.568 416 S HA 0.295 4.765 4.470 0.000 0.000 0.282 416 S C -0.398 174.193 174.600 -0.016 0.000 1.338 416 S CA -0.478 57.711 58.200 -0.018 0.000 1.045 416 S CB 0.218 63.421 63.200 0.005 0.000 0.873 416 S HN 0.588 nan 8.310 nan 0.000 0.516 417 K N 2.344 122.752 120.400 0.014 0.000 2.292 417 K HA 0.446 4.766 4.320 0.000 0.000 0.257 417 K C -2.994 173.663 176.600 0.096 0.000 0.940 417 K CA -2.281 54.023 56.287 0.028 0.000 0.811 417 K CB 1.588 34.062 32.500 -0.044 0.000 1.120 417 K HN 0.392 nan 8.250 nan 0.000 0.428 418 P HA 0.021 nan 4.420 nan 0.000 0.271 418 P C -1.011 176.106 177.300 -0.305 0.000 1.226 418 P CA -0.438 62.470 63.100 -0.320 0.000 0.765 418 P CB 0.427 31.555 31.700 -0.952 0.000 0.835 419 L N 5.962 127.011 121.223 -0.291 0.000 2.283 419 L HA 0.377 4.717 4.340 0.000 0.000 0.281 419 L C -1.077 175.595 176.870 -0.329 0.000 1.033 419 L CA -0.681 53.908 54.840 -0.419 0.000 0.848 419 L CB -0.295 41.504 42.059 -0.433 0.000 1.226 419 L HN 0.215 nan 8.230 nan 0.000 0.429 420 Y N 4.681 124.899 120.300 -0.137 0.000 2.335 420 Y HA 0.343 4.893 4.550 0.000 0.000 0.331 420 Y C 0.051 175.856 175.900 -0.159 0.000 1.094 420 Y CA -0.423 57.625 58.100 -0.087 0.000 1.253 420 Y CB 0.691 39.103 38.460 -0.079 0.000 1.203 420 Y HN 0.368 nan 8.280 nan 0.000 0.508 421 L N 4.570 125.741 121.223 -0.087 0.000 2.380 421 L HA 0.189 4.529 4.340 0.000 0.000 0.273 421 L C -0.038 176.748 176.870 -0.140 0.000 1.138 421 L CA -0.094 54.508 54.840 -0.396 0.000 0.832 421 L CB 0.288 41.790 42.059 -0.929 0.000 1.124 421 L HN 0.563 nan 8.230 nan 0.000 0.454 422 Q N 1.815 121.629 119.800 0.022 0.000 2.399 422 Q HA 0.682 5.022 4.340 0.000 0.000 0.276 422 Q C -0.507 175.643 176.000 0.250 0.000 1.098 422 Q CA -0.972 54.905 55.803 0.123 0.000 0.827 422 Q CB 2.008 30.802 28.738 0.094 0.000 1.386 422 Q HN 0.689 nan 8.270 nan 0.000 0.443 423 A N -0.069 122.841 122.820 0.150 0.000 2.483 423 A HA 0.465 4.785 4.320 0.000 0.000 0.238 423 A C 1.069 178.709 177.584 0.094 0.000 1.070 423 A CA 0.995 53.106 52.037 0.123 0.000 0.770 423 A CB -0.462 18.562 19.000 0.039 0.000 1.008 423 A HN 1.091 nan 8.150 nan 0.000 0.497 424 G N 0.160 108.991 108.800 0.052 0.000 2.143 424 G HA2 0.201 4.161 3.960 0.000 0.000 0.249 424 G HA3 0.201 4.161 3.960 0.000 0.000 0.249 424 G C 1.543 176.440 174.900 -0.006 0.000 0.981 424 G CA 0.826 45.931 45.100 0.010 0.000 0.665 424 G HN 2.843 nan 8.290 nan 0.000 0.528 425 G N -1.006 107.787 108.800 -0.013 0.000 2.221 425 G HA2 -0.250 3.710 3.960 0.000 0.000 0.265 425 G HA3 -0.250 3.710 3.960 0.000 0.000 0.265 425 G C 0.271 175.219 174.900 0.080 0.000 1.041 425 G CA 1.402 46.424 45.100 -0.131 0.000 0.807 425 G HN 0.942 nan 8.290 nan 0.000 0.502 426 K N -1.374 119.149 120.400 0.205 0.000 2.210 426 K HA 0.883 5.203 4.320 0.000 0.000 0.236 426 K C -0.570 176.148 176.600 0.198 0.000 1.016 426 K CA -1.050 55.328 56.287 0.153 0.000 0.913 426 K CB 1.639 34.193 32.500 0.089 0.000 1.141 426 K HN 0.252 nan 8.250 nan 0.000 0.462 427 L N 0.410 121.684 121.223 0.085 0.000 2.565 427 L HA 0.367 4.707 4.340 0.000 0.000 0.261 427 L C -1.539 175.289 176.870 -0.070 0.000 0.932 427 L CA 0.175 55.019 54.840 0.007 0.000 0.878 427 L CB 1.916 43.977 42.059 0.003 0.000 1.333 427 L HN 0.849 nan 8.230 nan 0.000 0.409 428 S N 2.340 117.973 115.700 -0.112 0.000 2.636 428 S HA 0.529 4.999 4.470 0.000 0.000 0.268 428 S C -0.116 174.388 174.600 -0.159 0.000 1.159 428 S CA -0.590 57.526 58.200 -0.142 0.000 0.815 428 S CB 0.529 63.730 63.200 0.003 0.000 1.130 428 S HN 0.323 nan 8.310 nan 0.000 0.471 429 F N 0.700 120.698 119.950 0.080 0.000 2.797 429 F HA 0.370 4.897 4.527 0.000 0.000 0.302 429 F C 1.063 176.972 175.800 0.182 0.000 1.130 429 F CA 0.002 58.066 58.000 0.106 0.000 1.387 429 F CB -0.026 38.991 39.000 0.028 0.000 1.107 429 F HN 0.412 nan 8.300 nan 0.000 0.577 430 Q N 1.178 121.121 119.800 0.237 0.000 2.274 430 Q HA 0.274 4.614 4.340 0.000 0.000 0.256 430 Q C -2.272 173.637 176.000 -0.152 0.000 0.927 430 Q CA -2.138 53.709 55.803 0.073 0.000 0.939 430 Q CB 0.520 29.273 28.738 0.026 0.000 1.201 430 Q HN -0.094 nan 8.270 nan 0.000 0.426 431 P HA 0.002 nan 4.420 nan 0.000 0.267 431 P C -2.432 174.551 177.300 -0.528 0.000 1.201 431 P CA -0.857 61.641 63.100 -1.003 0.000 0.775 431 P CB -0.123 31.208 31.700 -0.614 0.000 0.854 432 P HA -0.003 nan 4.420 nan 0.000 0.268 432 P C -0.575 176.634 177.300 -0.150 0.000 1.205 432 P CA 0.102 63.074 63.100 -0.212 0.000 0.771 432 P CB 0.158 31.777 31.700 -0.135 0.000 0.858 433 V N 0.118 119.977 119.914 -0.092 0.000 2.617 433 V HA 0.807 4.927 4.120 0.000 0.000 0.298 433 V C 0.171 176.239 176.094 -0.043 0.000 1.048 433 V CA -1.204 61.056 62.300 -0.066 0.000 0.964 433 V CB 1.021 32.814 31.823 -0.050 0.000 1.004 433 V HN 0.646 nan 8.190 nan 0.000 0.466 434 A N 2.760 125.559 122.820 -0.036 0.000 2.346 434 A HA 0.650 4.970 4.320 0.000 0.000 0.252 434 A C 1.381 178.954 177.584 -0.019 0.000 1.089 434 A CA 0.267 52.291 52.037 -0.022 0.000 0.797 434 A CB -0.200 18.789 19.000 -0.018 0.000 1.047 434 A HN 2.853 nan 8.150 nan 0.000 0.494 435 G N -0.662 108.129 108.800 -0.014 0.000 2.130 435 G HA2 -0.134 3.826 3.960 0.000 0.000 0.216 435 G HA3 -0.134 3.826 3.960 0.000 0.000 0.216 435 G C -0.074 174.814 174.900 -0.020 0.000 0.999 435 G CA 0.489 45.580 45.100 -0.015 0.000 0.686 435 G HN 0.925 nan 8.290 nan 0.000 0.515 436 Q N -1.062 118.725 119.800 -0.022 0.000 2.668 436 Q HA 0.752 5.092 4.340 0.000 0.000 0.298 436 Q C 0.229 176.197 176.000 -0.054 0.000 1.071 436 Q CA -0.603 55.181 55.803 -0.032 0.000 0.789 436 Q CB 1.679 30.404 28.738 -0.022 0.000 1.497 436 Q HN 0.922 nan 8.270 nan 0.000 0.460 437 A N 0.120 122.888 122.820 -0.087 0.000 2.520 437 A HA 0.312 4.632 4.320 0.000 0.000 0.245 437 A C 1.070 178.564 177.584 -0.149 0.000 1.072 437 A CA 0.674 52.604 52.037 -0.179 0.000 0.761 437 A CB -0.225 18.638 19.000 -0.227 0.000 1.004 437 A HN 0.868 nan 8.150 nan 0.000 0.499 438 G N 1.361 110.055 108.800 -0.177 0.000 2.534 438 G HA2 0.319 4.279 3.960 0.000 0.000 0.217 438 G HA3 0.319 4.279 3.960 0.000 0.000 0.217 438 G C 0.196 175.175 174.900 0.131 0.000 1.128 438 G CA 1.122 46.251 45.100 0.049 0.000 0.784 438 G HN 1.107 nan 8.290 nan 0.000 0.542 439 F N -2.570 117.345 119.950 -0.059 0.000 2.741 439 F HA 0.693 5.220 4.527 0.000 0.000 0.313 439 F C -1.318 174.441 175.800 -0.068 0.000 1.153 439 F CA -1.929 55.954 58.000 -0.194 0.000 0.931 439 F CB 1.001 39.573 39.000 -0.715 0.000 1.335 439 F HN -0.252 nan 8.300 nan 0.000 0.460 440 E N 1.210 121.587 120.200 0.294 0.000 2.187 440 E HA 0.305 4.655 4.350 0.000 0.000 0.268 440 E C -1.495 175.321 176.600 0.361 0.000 0.896 440 E CA -0.590 55.971 56.400 0.269 0.000 0.766 440 E CB 2.722 32.586 29.700 0.274 0.000 1.142 440 E HN 0.774 nan 8.360 nan 0.000 0.408 441 E N 2.572 122.968 120.200 0.327 0.000 2.207 441 E HA 0.453 4.803 4.350 0.000 0.000 0.270 441 E C -1.537 175.239 176.600 0.293 0.000 0.927 441 E CA -0.746 55.816 56.400 0.270 0.000 0.799 441 E CB 1.203 31.066 29.700 0.271 0.000 1.172 441 E HN 0.473 nan 8.360 nan 0.000 0.404 442 Y N -0.391 119.968 120.300 0.098 0.000 2.558 442 Y HA 0.512 5.063 4.550 0.000 0.000 0.333 442 Y C -1.870 174.068 175.900 0.063 0.000 1.125 442 Y CA -1.207 56.936 58.100 0.072 0.000 1.039 442 Y CB 0.647 39.149 38.460 0.070 0.000 1.331 442 Y HN 0.144 nan 8.280 nan 0.000 0.456 443 V N 2.829 122.817 119.914 0.123 0.000 2.439 443 V HA 0.481 4.602 4.120 0.000 0.000 0.282 443 V C -0.105 176.053 176.094 0.106 0.000 1.039 443 V CA -0.389 61.928 62.300 0.028 0.000 0.913 443 V CB 1.404 33.252 31.823 0.041 0.000 0.983 443 V HN 0.831 nan 8.190 nan 0.000 0.460 444 S N 3.363 119.073 115.700 0.017 0.000 2.422 444 S HA 0.337 4.807 4.470 0.000 0.000 0.308 444 S C -0.729 173.881 174.600 0.016 0.000 1.097 444 S CA -0.624 57.613 58.200 0.061 0.000 1.099 444 S CB 0.623 63.824 63.200 0.001 0.000 0.976 444 S HN 0.823 nan 8.310 nan 0.000 0.471 445 D N 5.444 125.861 120.400 0.029 0.000 2.414 445 D HA 0.448 5.088 4.640 0.000 0.000 0.232 445 D C -1.815 174.474 176.300 -0.018 0.000 1.070 445 D CA -2.275 51.731 54.000 0.010 0.000 0.839 445 D CB 1.894 42.705 40.800 0.019 0.000 1.079 445 D HN 0.216 nan 8.370 nan 0.000 0.521 446 P HA -0.052 nan 4.420 nan 0.000 0.220 446 P C 0.895 178.094 177.300 -0.169 0.000 1.148 446 P CA 0.823 63.889 63.100 -0.057 0.000 0.803 446 P CB 0.281 32.048 31.700 0.113 0.000 0.782 447 A N -0.647 122.107 122.820 -0.110 0.000 2.066 447 A HA -0.070 4.250 4.320 0.000 0.000 0.218 447 A C 1.142 178.663 177.584 -0.104 0.000 1.157 447 A CA 1.169 53.129 52.037 -0.129 0.000 0.670 447 A CB -0.535 18.427 19.000 -0.063 0.000 0.804 447 A HN 0.163 nan 8.150 nan 0.000 0.453 448 K N 0.531 120.894 120.400 -0.062 0.000 2.842 448 K HA 0.256 4.576 4.320 0.000 0.000 0.176 448 K C -3.007 173.614 176.600 0.036 0.000 1.080 448 K CA -1.669 54.634 56.287 0.027 0.000 0.954 448 K CB 1.662 34.193 32.500 0.052 0.000 1.203 448 K HN 0.229 nan 8.250 nan 0.000 0.611 449 P HA 0.076 nan 4.420 nan 0.000 0.274 449 P C -0.005 177.415 177.300 0.201 0.000 1.246 449 P CA -0.449 62.635 63.100 -0.026 0.000 0.795 449 P CB 0.974 32.472 31.700 -0.337 0.000 1.006 450 V N 3.402 123.425 119.914 0.183 0.000 2.508 450 V HA 0.161 4.281 4.120 0.000 0.000 0.281 450 V C -1.705 174.596 176.094 0.345 0.000 1.041 450 V CA -1.387 61.035 62.300 0.203 0.000 1.016 450 V CB 0.312 32.201 31.823 0.109 0.000 0.984 450 V HN 0.599 nan 8.190 nan 0.000 0.478 451 P HA 0.111 nan 4.420 nan 0.000 0.276 451 P C 0.349 177.912 177.300 0.438 0.000 1.230 451 P CA -0.281 63.101 63.100 0.470 0.000 0.776 451 P CB 0.711 32.602 31.700 0.317 0.000 0.888 452 F N 3.090 123.169 119.950 0.215 0.000 2.558 452 F HA 0.176 4.703 4.527 0.000 0.000 0.298 452 F C 0.183 176.133 175.800 0.252 0.000 1.119 452 F CA -0.079 58.016 58.000 0.159 0.000 1.451 452 F CB -0.485 38.391 39.000 -0.208 0.000 1.091 452 F HN 0.116 nan 8.300 nan 0.000 0.563 453 V N -4.548 115.022 119.914 -0.573 0.000 3.147 453 V HA 0.608 4.728 4.120 0.000 0.000 0.306 453 V C -2.994 172.637 176.094 -0.772 0.000 1.209 453 V CA -2.990 58.760 62.300 -0.917 0.000 1.023 453 V CB 1.157 32.330 31.823 -1.082 0.000 1.059 453 V HN -0.270 nan 8.190 nan 0.000 0.435 454 P HA 0.239 nan 4.420 nan 0.000 0.265 454 P C -0.460 176.636 177.300 -0.341 0.000 1.193 454 P CA 0.163 62.909 63.100 -0.589 0.000 0.765 454 P CB 0.283 31.638 31.700 -0.576 0.000 0.823 455 R N 3.809 124.177 120.500 -0.221 0.000 2.539 455 R HA 0.316 4.656 4.340 0.000 0.000 0.275 455 R C -1.644 174.571 176.300 -0.142 0.000 1.077 455 R CA -1.306 54.675 56.100 -0.199 0.000 1.097 455 R CB -0.381 29.771 30.300 -0.246 0.000 1.018 455 R HN 0.473 nan 8.270 nan 0.000 0.483 456 P HA 0.121 nan 4.420 nan 0.000 0.278 456 P C -0.805 176.377 177.300 -0.197 0.000 1.238 456 P CA -0.384 62.647 63.100 -0.114 0.000 0.794 456 P CB 0.950 32.637 31.700 -0.022 0.000 0.955 457 V N 2.780 122.557 119.914 -0.228 0.000 2.383 457 V HA 0.213 4.333 4.120 0.000 0.000 0.275 457 V C 0.162 176.028 176.094 -0.380 0.000 1.036 457 V CA 0.003 62.112 62.300 -0.318 0.000 0.889 457 V CB 0.937 32.560 31.823 -0.334 0.000 0.985 457 V HN 0.589 nan 8.190 nan 0.000 0.459 458 D N 3.675 123.878 120.400 -0.329 0.000 2.454 458 D HA 0.348 4.988 4.640 0.000 0.000 0.247 458 D C 0.512 176.750 176.300 -0.104 0.000 1.129 458 D CA -0.558 53.277 54.000 -0.276 0.000 0.877 458 D CB 0.986 41.627 40.800 -0.266 0.000 1.082 458 D HN 0.244 nan 8.370 nan 0.000 0.537 459 F N 2.299 122.196 119.950 -0.088 0.000 2.202 459 F HA -0.070 4.457 4.527 0.000 0.000 0.301 459 F C 2.412 178.138 175.800 -0.124 0.000 1.082 459 F CA 1.094 59.007 58.000 -0.145 0.000 1.313 459 F CB -0.690 38.175 39.000 -0.225 0.000 1.024 459 F HN 0.534 nan 8.300 nan 0.000 0.495 460 A N -0.931 121.952 122.820 0.105 0.000 1.969 460 A HA -0.158 4.162 4.320 0.000 0.000 0.218 460 A C 0.956 178.586 177.584 0.076 0.000 1.169 460 A CA 0.921 52.998 52.037 0.066 0.000 0.635 460 A CB -0.764 18.270 19.000 0.056 0.000 0.810 460 A HN 0.191 nan 8.150 nan 0.000 0.445 461 D N 0.180 120.627 120.400 0.077 0.000 2.356 461 D HA 0.030 4.670 4.640 0.000 0.000 0.272 461 D C 1.236 177.623 176.300 0.144 0.000 1.337 461 D CA -0.033 54.019 54.000 0.086 0.000 0.970 461 D CB 0.236 41.069 40.800 0.056 0.000 1.092 461 D HN 0.102 nan 8.370 nan 0.000 0.516 462 R N 2.893 123.470 120.500 0.129 0.000 2.105 462 R HA -0.063 4.277 4.340 0.000 0.000 0.239 462 R C 0.986 177.380 176.300 0.157 0.000 1.135 462 R CA 0.748 56.947 56.100 0.166 0.000 0.967 462 R CB -1.002 29.353 30.300 0.091 0.000 0.861 462 R HN 0.503 nan 8.270 nan 0.000 0.442 466 T N -0.609 113.982 114.554 0.061 0.000 2.995 466 T HA -0.080 4.270 4.350 0.000 0.000 0.269 466 T C 1.297 175.945 174.700 -0.087 0.000 1.091 466 T CA 2.172 64.221 62.100 -0.086 0.000 1.128 466 T CB -0.513 68.359 68.868 0.006 0.000 0.891 466 T HN 0.190 nan 8.240 nan 0.000 0.492 467 T N -2.336 112.209 114.554 -0.015 0.000 3.085 467 T HA 0.161 4.511 4.350 0.000 0.000 0.264 467 T C 1.598 176.295 174.700 -0.004 0.000 1.019 467 T CA -0.390 61.677 62.100 -0.055 0.000 0.910 467 T CB -0.623 68.226 68.868 -0.031 0.000 1.059 467 T HN 0.709 nan 8.240 nan 0.000 0.542 468 W N 1.777 123.035 121.300 -0.070 0.000 2.363 468 W HA 0.001 4.662 4.660 0.000 0.000 0.296 468 W C 0.797 177.336 176.519 0.032 0.000 1.212 468 W CA 0.068 57.405 57.345 -0.013 0.000 1.260 468 W CB -0.827 28.677 29.460 0.074 0.000 1.131 468 W HN 0.242 nan 8.180 nan 0.000 0.530 469 L N 1.852 122.594 121.223 -0.801 0.000 2.362 469 L HA -0.150 4.190 4.340 0.000 0.000 0.219 469 L C 2.279 178.878 176.870 -0.452 0.000 1.134 469 L CA 1.307 55.641 54.840 -0.844 0.000 0.807 469 L CB -0.447 41.182 42.059 -0.716 0.000 0.927 469 L HN 0.034 nan 8.230 nan 0.000 0.447 470 V N -5.575 114.079 119.914 -0.433 0.000 3.427 470 V HA 0.159 4.279 4.120 0.000 0.000 0.305 470 V C 1.047 177.105 176.094 -0.060 0.000 1.412 470 V CA -0.518 61.532 62.300 -0.417 0.000 1.086 470 V CB -0.635 30.728 31.823 -0.766 0.000 0.964 470 V HN 0.210 nan 8.190 nan 0.000 0.439 471 H N 2.455 121.480 119.070 -0.076 0.000 2.815 471 H HA 0.170 4.726 4.556 0.000 0.000 0.350 471 H C -0.284 174.985 175.328 -0.098 0.000 1.080 471 H CA 0.734 56.758 56.048 -0.040 0.000 1.433 471 H CB 1.177 30.903 29.762 -0.059 0.000 1.432 471 H HN 0.485 nan 8.280 nan 0.000 0.592 472 D N 2.888 123.021 120.400 -0.445 0.000 2.531 472 D HA -0.094 4.546 4.640 0.000 0.000 0.239 472 D C 0.527 176.908 176.300 0.135 0.000 1.144 472 D CA 0.318 53.914 54.000 -0.673 0.000 0.869 472 D CB 0.802 40.988 40.800 -1.024 0.000 1.160 472 D HN 0.495 nan 8.370 nan 0.000 0.484 473 Q N 3.401 123.255 119.800 0.091 0.000 2.320 473 Q HA 0.069 4.409 4.340 0.000 0.000 0.201 473 Q C 1.383 177.400 176.000 0.029 0.000 0.910 473 Q CA 0.077 55.987 55.803 0.180 0.000 0.946 473 Q CB 0.149 28.950 28.738 0.104 0.000 1.062 473 Q HN 0.528 nan 8.270 nan 0.000 0.503 474 R N 0.171 120.702 120.500 0.052 0.000 2.237 474 R HA -0.084 4.256 4.340 0.000 0.000 0.219 474 R C 1.790 178.106 176.300 0.028 0.000 1.080 474 R CA 0.799 56.903 56.100 0.007 0.000 0.995 474 R CB -0.274 30.022 30.300 -0.006 0.000 0.875 474 R HN 0.291 nan 8.270 nan 0.000 0.462 475 F N -0.583 119.353 119.950 -0.023 0.000 2.451 475 F HA -0.071 4.456 4.527 0.000 0.000 0.299 475 F C 1.442 177.224 175.800 -0.030 0.000 1.101 475 F CA 0.526 58.509 58.000 -0.029 0.000 1.436 475 F CB -0.253 38.722 39.000 -0.042 0.000 1.074 475 F HN -0.188 nan 8.300 nan 0.000 0.553 476 V N -3.603 115.871 119.914 -0.733 0.000 3.548 476 V HA 0.255 4.375 4.120 0.000 0.000 0.279 476 V C 0.095 176.022 176.094 -0.279 0.000 1.446 476 V CA -0.077 61.889 62.300 -0.557 0.000 1.023 476 V CB -0.542 30.842 31.823 -0.731 0.000 0.820 476 V HN 0.115 nan 8.190 nan 0.000 0.438 477 D N 1.751 122.027 120.400 -0.207 0.000 2.383 477 D HA 0.479 5.119 4.640 0.000 0.000 0.252 477 D C 1.303 177.546 176.300 -0.096 0.000 1.166 477 D CA 1.799 55.726 54.000 -0.123 0.000 0.879 477 D CB 0.822 41.576 40.800 -0.077 0.000 1.164 477 D HN 0.614 nan 8.370 nan 0.000 0.462 478 G N 3.744 112.489 108.800 -0.092 0.000 2.184 478 G HA2 -0.229 3.731 3.960 0.000 0.000 0.206 478 G HA3 -0.229 3.731 3.960 0.000 0.000 0.206 478 G C 0.541 175.400 174.900 -0.067 0.000 0.995 478 G CA -0.329 44.729 45.100 -0.071 0.000 0.651 478 G HN 0.572 nan 8.290 nan 0.000 0.511 479 R N 0.843 121.292 120.500 -0.085 0.000 2.490 479 R HA 0.366 4.706 4.340 0.000 0.000 0.280 479 R C -1.146 175.119 176.300 -0.058 0.000 1.077 479 R CA -1.145 54.915 56.100 -0.067 0.000 1.065 479 R CB 0.962 31.213 30.300 -0.082 0.000 1.003 479 R HN 0.043 nan 8.270 nan 0.000 0.470 480 P HA -0.133 nan 4.420 nan 0.000 0.222 480 P C 0.002 177.319 177.300 0.028 0.000 1.147 480 P CA 1.165 64.268 63.100 0.004 0.000 0.790 480 P CB 0.135 31.853 31.700 0.029 0.000 0.780 481 D N -1.097 119.312 120.400 0.016 0.000 2.395 481 D HA 0.095 4.735 4.640 0.000 0.000 0.226 481 D C -0.192 175.983 176.300 -0.208 0.000 1.146 481 D CA -0.493 53.538 54.000 0.052 0.000 0.830 481 D CB -0.368 40.511 40.800 0.131 0.000 0.958 481 D HN -0.035 nan 8.370 nan 0.000 0.501 482 V N 0.977 120.731 119.914 -0.267 0.000 2.569 482 V HA 0.273 4.393 4.120 0.000 0.000 0.301 482 V C -0.181 175.723 176.094 -0.317 0.000 1.044 482 V CA -0.862 61.248 62.300 -0.317 0.000 0.874 482 V CB 2.152 33.866 31.823 -0.180 0.000 1.002 482 V HN 0.125 nan 8.190 nan 0.000 0.424 483 L N 3.764 124.764 121.223 -0.372 0.000 2.326 483 L HA 0.608 4.948 4.340 0.000 0.000 0.278 483 L C 0.213 176.926 176.870 -0.262 0.000 1.092 483 L CA 0.045 54.704 54.840 -0.302 0.000 0.810 483 L CB 1.649 43.600 42.059 -0.180 0.000 1.153 483 L HN 0.597 nan 8.230 nan 0.000 0.439 484 T N 2.902 117.213 114.554 -0.406 0.000 2.841 484 T HA 0.576 4.926 4.350 0.000 0.000 0.285 484 T C -0.819 173.597 174.700 -0.474 0.000 0.991 484 T CA -0.322 61.611 62.100 -0.277 0.000 0.966 484 T CB 0.713 69.487 68.868 -0.158 0.000 0.962 484 T HN 0.103 nan 8.240 nan 0.000 0.438 485 F N 2.135 122.087 119.950 0.004 0.000 2.507 485 F HA 0.767 5.294 4.527 0.000 0.000 0.325 485 F C 0.004 175.802 175.800 -0.003 0.000 1.116 485 F CA -0.953 57.049 58.000 0.002 0.000 0.930 485 F CB 1.825 40.828 39.000 0.005 0.000 1.146 485 F HN 0.262 nan 8.300 nan 0.000 0.447 486 V N 2.162 122.163 119.914 0.145 0.000 3.012 486 V HA 0.650 4.771 4.120 0.000 0.000 0.307 486 V C -0.503 175.621 176.094 0.050 0.000 1.166 486 V CA -0.487 61.861 62.300 0.079 0.000 0.974 486 V CB 2.565 34.421 31.823 0.055 0.000 1.040 486 V HN 0.905 nan 8.190 nan 0.000 0.428 487 T N 1.949 116.514 114.554 0.018 0.000 2.862 487 T HA 0.571 4.921 4.350 0.000 0.000 0.276 487 T C 0.049 174.764 174.700 0.024 0.000 0.974 487 T CA -0.518 61.584 62.100 0.003 0.000 0.966 487 T CB 1.229 70.074 68.868 -0.038 0.000 1.072 487 T HN 0.676 nan 8.240 nan 0.000 0.538 488 E N 1.289 121.505 120.200 0.027 0.000 2.369 488 E HA 0.311 4.661 4.350 0.000 0.000 0.255 488 E C -2.313 174.314 176.600 0.044 0.000 1.172 488 E CA -2.002 54.419 56.400 0.034 0.000 0.932 488 E CB 0.031 29.751 29.700 0.033 0.000 1.040 488 E HN 0.483 nan 8.360 nan 0.000 0.454 489 P HA 0.029 nan 4.420 nan 0.000 0.265 489 P C -0.341 176.999 177.300 0.067 0.000 1.193 489 P CA 0.323 63.461 63.100 0.064 0.000 0.765 489 P CB 0.313 32.045 31.700 0.054 0.000 0.823 490 L N 2.453 123.729 121.223 0.087 0.000 2.426 490 L HA 0.146 4.487 4.340 0.000 0.000 0.271 490 L C 1.730 178.642 176.870 0.070 0.000 1.169 490 L CA 0.203 55.092 54.840 0.082 0.000 0.836 490 L CB 0.322 42.441 42.059 0.100 0.000 1.112 490 L HN 0.490 nan 8.230 nan 0.000 0.465 491 T N -2.590 111.997 114.554 0.055 0.000 3.015 491 T HA 0.202 4.552 4.350 0.000 0.000 0.250 491 T C 0.510 175.231 174.700 0.034 0.000 1.057 491 T CA -0.118 62.007 62.100 0.042 0.000 1.066 491 T CB 0.387 69.275 68.868 0.033 0.000 0.959 491 T HN 0.427 nan 8.240 nan 0.000 0.488 492 E N 1.937 122.158 120.200 0.035 0.000 2.312 492 E HA 0.469 4.819 4.350 0.000 0.000 0.267 492 E C -3.057 173.560 176.600 0.028 0.000 0.894 492 E CA -2.718 53.696 56.400 0.022 0.000 0.773 492 E CB 1.776 31.483 29.700 0.012 0.000 1.241 492 E HN 0.083 nan 8.360 nan 0.000 0.432 493 P HA 0.099 nan 4.420 nan 0.000 0.268 493 P C -0.585 176.734 177.300 0.030 0.000 1.204 493 P CA -0.403 62.700 63.100 0.005 0.000 0.768 493 P CB 0.337 32.020 31.700 -0.028 0.000 0.842 494 L N 3.293 124.568 121.223 0.087 0.000 2.294 494 L HA 0.387 4.727 4.340 0.000 0.000 0.283 494 L C -0.354 176.623 176.870 0.179 0.000 1.015 494 L CA -0.269 54.652 54.840 0.136 0.000 0.831 494 L CB 1.107 43.278 42.059 0.188 0.000 1.217 494 L HN 0.294 nan 8.230 nan 0.000 0.420 495 Q N 5.482 125.335 119.800 0.088 0.000 2.307 495 Q HA 0.631 4.971 4.340 0.000 0.000 0.262 495 Q C -1.031 175.021 176.000 0.087 0.000 0.961 495 Q CA -0.659 55.175 55.803 0.051 0.000 0.882 495 Q CB 1.477 30.210 28.738 -0.009 0.000 1.264 495 Q HN 0.790 nan 8.270 nan 0.000 0.446 496 I N 0.071 120.712 120.570 0.118 0.000 2.530 496 I HA 0.900 5.070 4.170 0.000 0.000 0.297 496 I C -1.010 175.151 176.117 0.075 0.000 1.011 496 I CA -0.924 60.448 61.300 0.119 0.000 1.107 496 I CB 2.296 40.437 38.000 0.235 0.000 1.285 496 I HN 0.596 nan 8.210 nan 0.000 0.436 497 A N 4.335 127.155 122.820 0.000 0.000 3.307 497 A HA 0.823 5.143 4.320 0.000 0.000 0.289 497 A C -0.193 177.129 177.584 -0.436 0.000 1.138 497 A CA 0.227 52.231 52.037 -0.055 0.000 0.860 497 A CB 0.056 18.997 19.000 -0.098 0.000 1.318 497 A HN 1.412 nan 8.150 nan 0.000 0.551 498 G N -0.229 108.482 108.800 -0.149 0.000 2.364 498 G HA2 0.672 4.632 3.960 0.000 0.000 0.286 498 G HA3 0.672 4.632 3.960 0.000 0.000 0.286 498 G C -0.894 174.018 174.900 0.021 0.000 1.241 498 G CA 0.289 45.254 45.100 -0.224 0.000 0.887 498 G HN 1.618 nan 8.290 nan 0.000 0.484 499 A N 1.214 124.023 122.820 -0.018 0.000 2.273 499 A HA 0.805 5.125 4.320 0.000 0.000 0.320 499 A C -2.463 175.133 177.584 0.020 0.000 1.358 499 A CA -1.300 50.752 52.037 0.025 0.000 0.910 499 A CB 0.533 19.534 19.000 0.001 0.000 1.159 499 A HN 0.328 nan 8.150 nan 0.000 0.526 500 P HA 0.204 nan 4.420 nan 0.000 0.269 500 P C -0.807 176.488 177.300 -0.008 0.000 1.209 500 P CA 0.153 63.270 63.100 0.028 0.000 0.776 500 P CB 0.662 32.392 31.700 0.049 0.000 0.876 501 D N 1.384 121.755 120.400 -0.049 0.000 2.593 501 D HA 0.234 4.874 4.640 0.000 0.000 0.251 501 D C -0.896 175.210 176.300 -0.323 0.000 1.140 501 D CA -0.415 53.488 54.000 -0.160 0.000 0.855 501 D CB 1.350 42.089 40.800 -0.101 0.000 1.267 501 D HN -0.101 nan 8.370 nan 0.000 0.532 502 V N 4.828 124.397 119.914 -0.575 0.000 2.555 502 V HA 0.128 4.248 4.120 0.000 0.000 0.286 502 V C 0.381 175.953 176.094 -0.870 0.000 1.044 502 V CA -0.040 61.815 62.300 -0.742 0.000 1.026 502 V CB 0.892 31.978 31.823 -1.228 0.000 0.981 502 V HN 0.519 nan 8.190 nan 0.000 0.480 503 H N 4.964 123.616 119.070 -0.696 0.000 2.340 503 H HA 0.290 4.846 4.556 0.000 0.000 0.233 503 H C -0.519 174.507 175.328 -0.503 0.000 1.435 503 H CA -0.614 55.015 56.048 -0.699 0.000 1.389 503 H CB 1.394 30.382 29.762 -1.289 0.000 1.491 503 H HN 0.434 nan 8.280 nan 0.000 0.518 504 L N 2.513 123.565 121.223 -0.286 0.000 2.305 504 L HA 0.177 4.517 4.340 0.000 0.000 0.281 504 L C 0.009 176.846 176.870 -0.054 0.000 1.085 504 L CA -0.088 54.648 54.840 -0.173 0.000 0.813 504 L CB 0.993 42.929 42.059 -0.206 0.000 1.157 504 L HN 0.311 nan 8.230 nan 0.000 0.436 505 Q N 5.163 124.953 119.800 -0.017 0.000 2.394 505 Q HA 0.710 5.050 4.340 0.000 0.000 0.259 505 Q C -1.024 175.043 176.000 0.113 0.000 1.021 505 Q CA -0.343 55.486 55.803 0.043 0.000 0.805 505 Q CB 1.745 30.523 28.738 0.067 0.000 1.226 505 Q HN 0.785 nan 8.270 nan 0.000 0.476 506 A N 1.782 124.649 122.820 0.079 0.000 2.572 506 A HA 0.799 5.119 4.320 0.000 0.000 0.295 506 A C -0.712 176.990 177.584 0.197 0.000 1.072 506 A CA -0.539 51.512 52.037 0.023 0.000 0.691 506 A CB 1.642 20.197 19.000 -0.742 0.000 1.291 506 A HN 0.637 nan 8.150 nan 0.000 0.404 507 S N -0.155 115.718 115.700 0.289 0.000 2.599 507 S HA 0.897 5.368 4.470 0.000 0.000 0.294 507 S C -0.456 174.336 174.600 0.320 0.000 1.094 507 S CA -0.279 58.103 58.200 0.304 0.000 0.931 507 S CB 1.937 65.282 63.200 0.242 0.000 1.093 507 S HN 1.652 nan 8.310 nan 0.000 0.488 508 T N -0.157 114.555 114.554 0.263 0.000 2.912 508 T HA 0.487 4.837 4.350 0.000 0.000 0.299 508 T C 0.956 175.701 174.700 0.075 0.000 1.052 508 T CA -0.002 62.192 62.100 0.155 0.000 0.996 508 T CB 1.500 70.456 68.868 0.146 0.000 1.070 508 T HN 1.050 nan 8.240 nan 0.000 0.465 509 S N 2.428 118.139 115.700 0.019 0.000 2.522 509 S HA 0.240 4.710 4.470 0.000 0.000 0.227 509 S C 1.214 175.822 174.600 0.013 0.000 0.986 509 S CA 0.368 58.574 58.200 0.010 0.000 0.929 509 S CB -0.366 62.830 63.200 -0.007 0.000 0.769 509 S HN 0.911 nan 8.310 nan 0.000 0.529 510 G N 0.993 109.799 108.800 0.009 0.000 2.509 510 G HA2 0.447 4.407 3.960 0.000 0.000 0.269 510 G HA3 0.447 4.407 3.960 0.000 0.000 0.269 510 G C 0.359 175.279 174.900 0.034 0.000 1.416 510 G CA -0.035 45.070 45.100 0.008 0.000 1.052 510 G HN 0.551 nan 8.290 nan 0.000 0.542 511 S N -1.331 114.395 115.700 0.043 0.000 2.730 511 S HA 0.369 4.840 4.470 0.000 0.000 0.244 511 S C -0.359 174.314 174.600 0.121 0.000 1.022 511 S CA -0.221 58.023 58.200 0.073 0.000 1.014 511 S CB 0.447 63.692 63.200 0.075 0.000 0.963 511 S HN 0.536 nan 8.310 nan 0.000 0.540 512 D N -0.322 120.124 120.400 0.076 0.000 2.694 512 D HA 0.656 5.296 4.640 0.000 0.000 0.260 512 D C -1.562 174.697 176.300 -0.069 0.000 1.250 512 D CA 0.082 54.116 54.000 0.058 0.000 0.763 512 D CB 1.905 42.730 40.800 0.042 0.000 1.311 512 D HN 0.016 nan 8.370 nan 0.000 0.420 513 S N 0.343 115.948 115.700 -0.159 0.000 2.614 513 S HA 0.357 4.827 4.470 0.000 0.000 0.280 513 S C -2.063 172.196 174.600 -0.569 0.000 1.111 513 S CA -0.794 57.147 58.200 -0.432 0.000 0.847 513 S CB 1.351 64.132 63.200 -0.698 0.000 1.079 513 S HN 0.382 nan 8.310 nan 0.000 0.452 514 D N 0.468 120.496 120.400 -0.619 0.000 2.217 514 D HA 0.587 5.227 4.640 0.000 0.000 0.248 514 D C -1.223 174.661 176.300 -0.693 0.000 1.008 514 D CA -0.008 53.704 54.000 -0.481 0.000 0.914 514 D CB 0.880 41.526 40.800 -0.257 0.000 1.182 514 D HN 0.434 nan 8.370 nan 0.000 0.451 515 W N 1.007 122.263 121.300 -0.074 0.000 2.554 515 W HA 0.472 5.132 4.660 0.000 0.000 0.324 515 W C -0.963 175.578 176.519 0.037 0.000 1.018 515 W CA -0.879 56.451 57.345 -0.025 0.000 1.243 515 W CB 1.331 30.723 29.460 -0.113 0.000 1.345 515 W HN -0.075 nan 8.180 nan 0.000 0.441 516 V N 4.569 124.672 119.914 0.315 0.000 2.398 516 V HA 0.552 4.672 4.120 0.000 0.000 0.286 516 V C -0.331 175.959 176.094 0.326 0.000 1.026 516 V CA -0.956 61.505 62.300 0.267 0.000 0.868 516 V CB 1.420 33.356 31.823 0.188 0.000 0.982 516 V HN 0.287 nan 8.190 nan 0.000 0.443 517 V N 5.467 125.597 119.914 0.361 0.000 2.588 517 V HA 0.524 4.645 4.120 0.000 0.000 0.304 517 V C -0.329 175.913 176.094 0.247 0.000 1.042 517 V CA -0.947 61.524 62.300 0.285 0.000 0.877 517 V CB 2.031 33.997 31.823 0.238 0.000 0.996 517 V HN 0.857 nan 8.190 nan 0.000 0.425 518 K N 4.364 124.886 120.400 0.204 0.000 2.376 518 K HA 0.613 4.933 4.320 0.000 0.000 0.257 518 K C -1.283 175.420 176.600 0.172 0.000 0.939 518 K CA -0.847 55.557 56.287 0.196 0.000 0.809 518 K CB 2.548 35.166 32.500 0.196 0.000 1.121 518 K HN 0.439 nan 8.250 nan 0.000 0.425 519 L N 5.067 126.395 121.223 0.175 0.000 2.257 519 L HA 0.463 4.803 4.340 0.000 0.000 0.290 519 L C -1.116 175.897 176.870 0.237 0.000 1.044 519 L CA -0.152 54.798 54.840 0.185 0.000 0.810 519 L CB 0.338 42.507 42.059 0.183 0.000 1.193 519 L HN 0.570 nan 8.230 nan 0.000 0.425 520 I N 4.021 124.747 120.570 0.259 0.000 2.603 520 I HA 0.347 4.518 4.170 0.000 0.000 0.300 520 I C -0.762 175.628 176.117 0.455 0.000 1.017 520 I CA -0.688 60.794 61.300 0.304 0.000 1.098 520 I CB 2.036 40.175 38.000 0.232 0.000 1.279 520 I HN 0.505 nan 8.210 nan 0.000 0.437 521 D N 5.583 126.287 120.400 0.506 0.000 2.392 521 D HA 0.263 4.903 4.640 0.000 0.000 0.228 521 D C -0.945 175.692 176.300 0.562 0.000 1.074 521 D CA -0.289 54.106 54.000 0.659 0.000 0.838 521 D CB 1.460 42.596 40.800 0.560 0.000 1.067 521 D HN 0.081 nan 8.370 nan 0.000 0.511 522 V N 5.506 125.695 119.914 0.459 0.000 2.408 522 V HA 0.128 4.248 4.120 0.000 0.000 0.267 522 V C 0.179 176.475 176.094 0.337 0.000 1.047 522 V CA -0.643 61.879 62.300 0.370 0.000 0.937 522 V CB -0.129 31.830 31.823 0.226 0.000 0.999 522 V HN 0.406 nan 8.190 nan 0.000 0.472 523 Y N 5.871 126.224 120.300 0.088 0.000 2.426 523 Y HA 0.246 4.796 4.550 0.000 0.000 0.344 523 Y C -1.670 174.089 175.900 -0.235 0.000 1.256 523 Y CA -1.976 55.982 58.100 -0.235 0.000 1.451 523 Y CB 0.008 38.420 38.460 -0.080 0.000 1.342 523 Y HN 0.464 nan 8.280 nan 0.000 0.600 524 P HA -0.063 nan 4.420 nan 0.000 0.264 524 P C 0.455 177.762 177.300 0.012 0.000 1.183 524 P CA 0.383 63.426 63.100 -0.095 0.000 0.763 524 P CB 0.405 32.046 31.700 -0.098 0.000 0.807 525 E N 1.399 121.613 120.200 0.024 0.000 2.147 525 E HA -0.264 4.086 4.350 0.000 0.000 0.199 525 E C 0.505 177.125 176.600 0.034 0.000 1.005 525 E CA 1.296 57.718 56.400 0.036 0.000 0.810 525 E CB -0.019 29.698 29.700 0.029 0.000 0.736 525 E HN 0.453 nan 8.360 nan 0.000 0.460 529 S N 0.751 116.459 115.700 0.012 0.000 2.489 529 S HA 0.068 4.538 4.470 0.000 0.000 0.228 529 S C 0.682 175.281 174.600 -0.001 0.000 0.995 529 S CA 1.185 59.390 58.200 0.008 0.000 0.934 529 S CB -0.087 63.122 63.200 0.014 0.000 0.771 529 S HN 0.531 nan 8.310 nan 0.000 0.522 530 N N 0.328 119.026 118.700 -0.003 0.000 2.732 530 N HA 0.280 5.020 4.740 0.000 0.000 0.235 530 N C -2.525 172.970 175.510 -0.025 0.000 1.466 530 N CA -1.384 51.652 53.050 -0.024 0.000 0.751 530 N CB 0.699 39.163 38.487 -0.037 0.000 1.317 530 N HN -0.156 nan 8.380 nan 0.000 0.525 531 P HA -0.222 nan 4.420 nan 0.000 0.218 531 P C 0.125 177.418 177.300 -0.011 0.000 1.154 531 P CA 1.523 64.618 63.100 -0.009 0.000 0.872 531 P CB 0.156 31.851 31.700 -0.009 0.000 0.790 535 G N 0.642 109.508 108.800 0.111 0.000 2.148 535 G HA2 -0.249 3.711 3.960 0.000 0.000 0.254 535 G HA3 -0.249 3.711 3.960 0.000 0.000 0.254 535 G C 0.521 175.504 174.900 0.139 0.000 0.981 535 G CA 0.692 45.858 45.100 0.111 0.000 0.670 535 G HN 1.848 nan 8.290 nan 0.000 0.528 536 Y N 1.895 122.191 120.300 -0.007 0.000 2.721 536 Y HA 0.353 4.903 4.550 0.000 0.000 0.329 536 Y C 0.811 176.742 175.900 0.051 0.000 1.211 536 Y CA 0.488 58.541 58.100 -0.078 0.000 1.512 536 Y CB 0.467 38.716 38.460 -0.351 0.000 1.249 536 Y HN 0.347 nan 8.280 nan 0.000 0.549 537 E N 7.054 127.241 120.200 -0.022 0.000 1.998 537 E HA 0.146 4.496 4.350 0.000 0.000 0.257 537 E C -1.217 175.476 176.600 0.155 0.000 1.038 537 E CA -0.639 55.832 56.400 0.118 0.000 0.869 537 E CB 0.407 30.137 29.700 0.051 0.000 1.135 537 E HN 0.431 nan 8.360 nan 0.000 0.430 538 L N 4.771 126.239 121.223 0.407 0.000 2.278 538 L HA 0.304 4.644 4.340 0.000 0.000 0.287 538 L C -2.553 174.483 176.870 0.278 0.000 1.072 538 L CA -2.071 53.006 54.840 0.395 0.000 0.819 538 L CB 0.398 42.735 42.059 0.464 0.000 1.176 538 L HN 0.124 nan 8.230 nan 0.000 0.435 539 P HA 0.089 nan 4.420 nan 0.000 0.279 539 P C 0.702 178.164 177.300 0.270 0.000 1.318 539 P CA -0.167 63.058 63.100 0.208 0.000 0.819 539 P CB 1.023 32.818 31.700 0.160 0.000 0.927 540 V N 1.917 121.956 119.914 0.208 0.000 2.379 540 V HA -0.067 4.053 4.120 0.000 0.000 0.245 540 V C 1.160 177.318 176.094 0.106 0.000 1.044 540 V CA 1.739 64.103 62.300 0.106 0.000 1.036 540 V CB -0.230 31.506 31.823 -0.144 0.000 0.664 540 V HN 0.615 nan 8.190 nan 0.000 0.453 541 S N -0.239 115.541 115.700 0.134 0.000 2.562 541 S HA 0.664 5.134 4.470 0.000 0.000 0.274 541 S C -1.439 173.257 174.600 0.160 0.000 1.160 541 S CA -0.714 57.555 58.200 0.115 0.000 0.933 541 S CB 1.437 64.689 63.200 0.086 0.000 1.100 541 S HN 0.403 nan 8.310 nan 0.000 0.468 542 L N 2.135 123.463 121.223 0.174 0.000 2.469 542 L HA 1.146 5.486 4.340 0.000 0.000 0.256 542 L C -0.791 176.245 176.870 0.277 0.000 1.006 542 L CA -0.626 54.350 54.840 0.226 0.000 0.832 542 L CB 1.309 43.505 42.059 0.228 0.000 1.421 542 L HN 0.912 nan 8.230 nan 0.000 0.410 543 A N 1.680 124.705 122.820 0.343 0.000 2.610 543 A HA 0.857 5.177 4.320 0.000 0.000 0.291 543 A C -1.801 175.966 177.584 0.306 0.000 1.086 543 A CA -0.401 51.862 52.037 0.377 0.000 0.677 543 A CB 1.329 20.662 19.000 0.554 0.000 1.278 543 A HN 1.176 nan 8.150 nan 0.000 0.414 544 I N -0.016 120.633 120.570 0.132 0.000 2.569 544 I HA 0.804 4.974 4.170 0.000 0.000 0.296 544 I C -1.838 174.214 176.117 -0.109 0.000 1.028 544 I CA -1.081 60.172 61.300 -0.078 0.000 1.082 544 I CB 1.620 39.356 38.000 -0.440 0.000 1.264 544 I HN 0.667 nan 8.210 nan 0.000 0.429 545 F N 6.994 126.683 119.950 -0.435 0.000 2.536 545 F HA 0.515 5.042 4.527 0.000 0.000 0.322 545 F C -0.402 175.291 175.800 -0.177 0.000 1.144 545 F CA -0.764 56.948 58.000 -0.480 0.000 0.924 545 F CB 1.147 39.377 39.000 -1.284 0.000 1.181 545 F HN 0.423 nan 8.300 nan 0.000 0.438 546 R N 4.096 124.315 120.500 -0.469 0.000 2.248 546 R HA 0.283 4.623 4.340 0.000 0.000 0.337 546 R C 1.376 177.588 176.300 -0.148 0.000 1.085 546 R CA 0.686 56.658 56.100 -0.213 0.000 0.934 546 R CB 0.581 30.868 30.300 -0.021 0.000 1.034 546 R HN 0.985 nan 8.270 nan 0.000 0.465 547 G N 4.943 113.804 108.800 0.103 0.000 2.507 547 G HA2 -0.380 3.580 3.960 0.000 0.000 0.221 547 G HA3 -0.380 3.580 3.960 0.000 0.000 0.221 547 G C 1.252 176.370 174.900 0.362 0.000 1.119 547 G CA 1.033 46.414 45.100 0.469 0.000 0.751 547 G HN 0.791 nan 8.290 nan 0.000 0.574 548 R N -0.692 119.825 120.500 0.027 0.000 2.249 548 R HA -0.077 4.263 4.340 0.000 0.000 0.230 548 R C 0.972 177.167 176.300 -0.175 0.000 1.121 548 R CA 1.165 57.214 56.100 -0.084 0.000 0.997 548 R CB -0.512 29.649 30.300 -0.231 0.000 0.867 548 R HN 0.443 nan 8.270 nan 0.000 0.465 549 Y N 0.777 121.174 120.300 0.161 0.000 2.625 549 Y HA 0.310 4.860 4.550 0.000 0.000 0.285 549 Y C 2.076 178.057 175.900 0.135 0.000 1.168 549 Y CA -0.915 57.244 58.100 0.099 0.000 1.250 549 Y CB -0.136 38.396 38.460 0.121 0.000 1.130 549 Y HN 0.007 nan 8.280 nan 0.000 0.526 550 R N 1.088 121.834 120.500 0.409 0.000 2.094 550 R HA -0.214 4.126 4.340 0.000 0.000 0.239 550 R C 1.242 177.563 176.300 0.036 0.000 1.137 550 R CA 2.394 58.682 56.100 0.313 0.000 0.943 550 R CB 0.084 30.410 30.300 0.043 0.000 0.850 550 R HN 0.446 nan 8.270 nan 0.000 0.433 551 E N -1.036 119.163 120.200 -0.001 0.000 2.276 551 E HA 0.035 4.385 4.350 0.000 0.000 0.193 551 E C 0.007 176.579 176.600 -0.046 0.000 0.983 551 E CA 0.220 56.594 56.400 -0.043 0.000 0.861 551 E CB 0.653 30.332 29.700 -0.034 0.000 0.817 551 E HN 0.060 nan 8.360 nan 0.000 0.485 552 S N -1.127 114.556 115.700 -0.029 0.000 2.548 552 S HA 0.212 4.682 4.470 0.000 0.000 0.278 552 S C -0.541 174.113 174.600 0.091 0.000 1.150 552 S CA -0.701 57.493 58.200 -0.010 0.000 0.907 552 S CB 0.312 63.558 63.200 0.076 0.000 1.108 552 S HN 0.013 nan 8.310 nan 0.000 0.459 553 F N 2.667 122.754 119.950 0.228 0.000 2.293 553 F HA 0.065 4.592 4.527 0.000 0.000 0.297 553 F C 2.756 178.555 175.800 -0.003 0.000 1.089 553 F CA 1.279 59.323 58.000 0.074 0.000 1.377 553 F CB -0.268 38.635 39.000 -0.161 0.000 1.051 553 F HN 0.717 nan 8.300 nan 0.000 0.511 554 S N -2.228 113.616 115.700 0.240 0.000 2.458 554 S HA 0.037 4.507 4.470 0.000 0.000 0.223 554 S C 0.863 175.579 174.600 0.192 0.000 1.019 554 S CA 0.524 58.809 58.200 0.142 0.000 0.937 554 S CB -0.472 62.785 63.200 0.095 0.000 0.788 554 S HN 0.108 nan 8.310 nan 0.000 0.511 555 T N 4.898 119.584 114.554 0.220 0.000 3.064 555 T HA 0.456 4.806 4.350 0.000 0.000 0.367 555 T C -2.914 171.910 174.700 0.208 0.000 1.202 555 T CA -1.339 60.872 62.100 0.186 0.000 1.133 555 T CB 1.629 70.566 68.868 0.115 0.000 1.074 555 T HN 0.269 nan 8.240 nan 0.000 0.519 556 P HA 0.372 nan 4.420 nan 0.000 0.272 556 P C -0.511 176.864 177.300 0.125 0.000 1.223 556 P CA -0.463 62.724 63.100 0.144 0.000 0.784 556 P CB 1.148 32.892 31.700 0.074 0.000 0.923 557 K N 1.815 122.230 120.400 0.025 0.000 2.523 557 K HA 0.425 4.745 4.320 0.000 0.000 0.257 557 K C -2.760 173.613 176.600 -0.378 0.000 0.932 557 K CA -2.288 53.873 56.287 -0.209 0.000 0.812 557 K CB 2.255 34.688 32.500 -0.112 0.000 1.326 557 K HN 0.264 nan 8.250 nan 0.000 0.433 558 P HA 0.071 nan 4.420 nan 0.000 0.269 558 P C -0.619 176.587 177.300 -0.157 0.000 1.209 558 P CA -0.111 62.658 63.100 -0.551 0.000 0.776 558 P CB 0.573 31.899 31.700 -0.625 0.000 0.876 559 L N 1.785 123.011 121.223 0.005 0.000 2.371 559 L HA 0.215 4.555 4.340 0.000 0.000 0.272 559 L C 1.063 177.955 176.870 0.036 0.000 1.124 559 L CA -0.259 54.627 54.840 0.076 0.000 0.816 559 L CB 0.154 42.344 42.059 0.217 0.000 1.129 559 L HN 0.297 nan 8.230 nan 0.000 0.448 560 T N 1.690 116.259 114.554 0.025 0.000 2.834 560 T HA 0.072 4.422 4.350 0.000 0.000 0.298 560 T C 0.358 175.081 174.700 0.038 0.000 0.966 560 T CA -0.369 61.737 62.100 0.010 0.000 1.141 560 T CB 0.466 69.329 68.868 -0.009 0.000 0.905 560 T HN 0.579 nan 8.240 nan 0.000 0.535 561 S N 4.039 119.757 115.700 0.029 0.000 2.537 561 S HA 0.055 4.526 4.470 0.000 0.000 0.286 561 S C 1.133 175.753 174.600 0.033 0.000 1.299 561 S CA -0.443 57.779 58.200 0.037 0.000 1.067 561 S CB -0.134 63.080 63.200 0.023 0.000 0.864 561 S HN 0.879 nan 8.310 nan 0.000 0.494 562 N N -0.076 118.650 118.700 0.044 0.000 2.778 562 N HA -0.240 4.500 4.740 0.000 0.000 0.249 562 N C -0.237 175.293 175.510 0.033 0.000 1.069 562 N CA 0.968 54.039 53.050 0.034 0.000 0.831 562 N CB -0.812 37.685 38.487 0.016 0.000 1.142 562 N HN 0.768 nan 8.380 nan 0.000 0.573 563 Q N 0.819 120.640 119.800 0.034 0.000 2.290 563 Q HA 0.403 4.744 4.340 0.000 0.000 0.259 563 Q C -2.728 173.260 176.000 -0.020 0.000 0.941 563 Q CA -2.246 53.551 55.803 -0.009 0.000 0.912 563 Q CB 1.411 30.139 28.738 -0.017 0.000 1.244 563 Q HN -0.050 nan 8.270 nan 0.000 0.441 564 P HA 0.066 nan 4.420 nan 0.000 0.266 564 P C -1.188 176.019 177.300 -0.156 0.000 1.215 564 P CA 0.483 63.431 63.100 -0.254 0.000 0.763 564 P CB 0.409 31.649 31.700 -0.767 0.000 0.806 565 L N 2.024 123.201 121.223 -0.076 0.000 2.354 565 L HA 0.729 5.069 4.340 0.000 0.000 0.264 565 L C 0.201 176.894 176.870 -0.294 0.000 1.008 565 L CA -1.325 53.392 54.840 -0.205 0.000 0.819 565 L CB 2.141 44.034 42.059 -0.276 0.000 1.339 565 L HN 0.222 nan 8.230 nan 0.000 0.420 566 A N 1.910 124.509 122.820 -0.368 0.000 2.320 566 A HA 0.708 5.028 4.320 0.000 0.000 0.287 566 A C -1.126 176.139 177.584 -0.531 0.000 1.181 566 A CA -0.021 51.836 52.037 -0.301 0.000 0.831 566 A CB -0.185 18.706 19.000 -0.181 0.000 1.102 566 A HN 0.454 nan 8.150 nan 0.000 0.513 567 F N 0.959 120.778 119.950 -0.219 0.000 2.467 567 F HA 0.498 5.025 4.527 0.000 0.000 0.336 567 F C 0.418 175.999 175.800 -0.365 0.000 1.123 567 F CA -0.166 57.665 58.000 -0.283 0.000 0.964 567 F CB 2.128 40.971 39.000 -0.262 0.000 1.136 567 F HN 0.634 nan 8.300 nan 0.000 0.447 568 Q N 5.058 124.702 119.800 -0.261 0.000 2.310 568 Q HA 0.645 4.985 4.340 0.000 0.000 0.270 568 Q C -1.747 174.092 176.000 -0.267 0.000 1.025 568 Q CA -0.731 54.831 55.803 -0.402 0.000 0.772 568 Q CB 1.959 30.475 28.738 -0.371 0.000 1.253 568 Q HN 0.634 nan 8.270 nan 0.000 0.450 569 F N -0.081 119.620 119.950 -0.414 0.000 2.688 569 F HA 0.704 5.231 4.527 0.000 0.000 0.308 569 F C -0.411 175.348 175.800 -0.070 0.000 1.117 569 F CA -1.058 56.763 58.000 -0.298 0.000 0.976 569 F CB 0.499 39.120 39.000 -0.633 0.000 1.291 569 F HN 0.451 nan 8.300 nan 0.000 0.439 570 G N 2.554 111.540 108.800 0.310 0.000 2.444 570 G HA2 0.554 4.514 3.960 0.000 0.000 0.268 570 G HA3 0.554 4.514 3.960 0.000 0.000 0.268 570 G C -0.983 174.151 174.900 0.390 0.000 1.203 570 G CA -0.868 44.391 45.100 0.265 0.000 0.835 570 G HN 0.804 nan 8.290 nan 0.000 0.543 571 L N 2.055 123.406 121.223 0.214 0.000 2.352 571 L HA 0.351 4.691 4.340 0.000 0.000 0.269 571 L C -1.927 175.058 176.870 0.192 0.000 1.034 571 L CA -2.003 52.979 54.840 0.236 0.000 0.806 571 L CB 1.963 44.108 42.059 0.144 0.000 1.244 571 L HN 0.288 nan 8.230 nan 0.000 0.447 572 P HA -0.028 nan 4.420 nan 0.000 0.266 572 P C -0.378 176.954 177.300 0.053 0.000 1.193 572 P CA 0.059 63.223 63.100 0.107 0.000 0.770 572 P CB 0.248 31.991 31.700 0.071 0.000 0.836 573 T N 1.475 116.047 114.554 0.030 0.000 2.937 573 T HA 0.353 4.703 4.350 0.000 0.000 0.316 573 T C 0.174 174.862 174.700 -0.020 0.000 1.079 573 T CA 0.662 62.793 62.100 0.051 0.000 1.131 573 T CB -0.068 68.841 68.868 0.069 0.000 1.000 573 T HN 0.493 nan 8.240 nan 0.000 0.549 574 A N 2.857 125.715 122.820 0.064 0.000 2.427 574 A HA 0.645 4.965 4.320 0.000 0.000 0.298 574 A C -0.478 177.178 177.584 0.120 0.000 1.036 574 A CA -0.838 51.193 52.037 -0.010 0.000 0.701 574 A CB 1.228 20.231 19.000 0.006 0.000 1.250 574 A HN 0.654 nan 8.150 nan 0.000 0.412 575 N N 1.143 119.837 118.700 -0.010 0.000 2.851 575 N HA 0.420 5.160 4.740 0.000 0.000 0.248 575 N C -1.346 174.118 175.510 -0.076 0.000 1.221 575 N CA -0.080 52.995 53.050 0.043 0.000 0.847 575 N CB 0.257 38.677 38.487 -0.112 0.000 1.150 575 N HN 0.773 nan 8.380 nan 0.000 0.507 576 H N -0.082 118.880 119.070 -0.180 0.000 2.877 576 H HA 0.466 5.022 4.556 0.000 0.000 0.347 576 H C -1.147 173.991 175.328 -0.316 0.000 1.042 576 H CA -0.348 55.515 56.048 -0.307 0.000 1.276 576 H CB 1.286 30.812 29.762 -0.394 0.000 1.681 576 H HN 0.123 nan 8.280 nan 0.000 0.521 577 T N 6.300 120.386 114.554 -0.779 0.000 2.743 577 T HA 0.239 4.590 4.350 0.000 0.000 0.292 577 T C -0.447 173.762 174.700 -0.817 0.000 0.972 577 T CA -0.391 61.376 62.100 -0.555 0.000 0.967 577 T CB -0.266 68.392 68.868 -0.350 0.000 0.926 577 T HN 0.307 nan 8.240 nan 0.000 0.459 578 F N 3.774 123.500 119.950 -0.374 0.000 2.438 578 F HA 0.234 4.761 4.527 0.000 0.000 0.360 578 F C 1.320 176.921 175.800 -0.332 0.000 1.118 578 F CA -0.710 57.102 58.000 -0.313 0.000 1.164 578 F CB 0.462 39.434 39.000 -0.045 0.000 1.131 578 F HN 0.303 nan 8.300 nan 0.000 0.527 579 Q N 4.382 123.896 119.800 -0.477 0.000 2.382 579 Q HA 0.269 4.609 4.340 0.000 0.000 0.229 579 Q C -2.271 173.718 176.000 -0.019 0.000 1.006 579 Q CA -1.958 53.672 55.803 -0.290 0.000 0.916 579 Q CB 0.332 28.842 28.738 -0.380 0.000 1.235 579 Q HN 0.268 nan 8.270 nan 0.000 0.512 580 P HA 0.005 nan 4.420 nan 0.000 0.265 580 P C 0.555 177.959 177.300 0.173 0.000 1.193 580 P CA 1.109 64.267 63.100 0.097 0.000 0.765 580 P CB 0.327 32.060 31.700 0.056 0.000 0.823 581 G N 1.061 109.950 108.800 0.148 0.000 2.258 581 G HA2 -0.191 3.769 3.960 0.000 0.000 0.233 581 G HA3 -0.191 3.769 3.960 0.000 0.000 0.233 581 G C 0.261 175.224 174.900 0.106 0.000 1.006 581 G CA -0.313 44.854 45.100 0.111 0.000 0.620 581 G HN 0.647 nan 8.290 nan 0.000 0.511 582 H N 0.653 119.752 119.070 0.047 0.000 2.509 582 H HA 0.629 5.185 4.556 0.000 0.000 0.359 582 H C 0.542 175.932 175.328 0.104 0.000 1.253 582 H CA -0.040 56.058 56.048 0.082 0.000 1.373 582 H CB 0.785 30.601 29.762 0.089 0.000 1.555 582 H HN 0.287 nan 8.280 nan 0.000 0.586 583 R N 0.308 120.958 120.500 0.251 0.000 2.854 583 R HA 0.466 4.806 4.340 0.000 0.000 0.271 583 R C -0.695 175.688 176.300 0.138 0.000 0.996 583 R CA -0.810 55.378 56.100 0.147 0.000 0.961 583 R CB 2.007 32.371 30.300 0.106 0.000 1.182 583 R HN 0.218 nan 8.270 nan 0.000 0.479 587 Q N 2.377 122.287 119.800 0.183 0.000 2.312 587 Q HA 0.840 5.180 4.340 0.000 0.000 0.263 587 Q C -1.295 174.806 176.000 0.169 0.000 0.995 587 Q CA -0.736 55.155 55.803 0.146 0.000 0.853 587 Q CB 2.979 31.769 28.738 0.085 0.000 1.300 587 Q HN 0.593 nan 8.270 nan 0.000 0.448 588 V N 3.177 123.179 119.914 0.147 0.000 2.588 588 V HA 0.454 4.574 4.120 0.000 0.000 0.304 588 V C -0.405 175.696 176.094 0.012 0.000 1.042 588 V CA -0.607 61.797 62.300 0.174 0.000 0.877 588 V CB 1.606 33.601 31.823 0.288 0.000 0.996 588 V HN 0.818 nan 8.190 nan 0.000 0.425 589 Q N 2.469 122.337 119.800 0.113 0.000 2.626 589 Q HA 0.616 4.956 4.340 0.000 0.000 0.300 589 Q C -0.831 175.298 176.000 0.216 0.000 0.988 589 Q CA -0.885 54.944 55.803 0.044 0.000 0.761 589 Q CB 2.019 30.764 28.738 0.011 0.000 1.494 589 Q HN 0.333 nan 8.270 nan 0.000 0.439 590 S N 0.052 115.858 115.700 0.178 0.000 2.730 590 S HA 0.283 4.753 4.470 0.000 0.000 0.244 590 S C -0.680 173.902 174.600 -0.029 0.000 1.022 590 S CA 0.241 58.440 58.200 -0.001 0.000 1.014 590 S CB 0.427 63.557 63.200 -0.117 0.000 0.963 590 S HN 0.611 nan 8.310 nan 0.000 0.540 591 S N 0.688 116.417 115.700 0.048 0.000 2.570 591 S HA 0.783 5.253 4.470 0.000 0.000 0.270 591 S C -1.467 173.224 174.600 0.151 0.000 1.149 591 S CA -0.799 57.446 58.200 0.076 0.000 0.837 591 S CB 1.968 65.205 63.200 0.063 0.000 1.124 591 S HN 0.066 nan 8.310 nan 0.000 0.465 592 L N 1.687 123.040 121.223 0.216 0.000 2.422 592 L HA 0.593 4.933 4.340 0.000 0.000 0.263 592 L C -1.827 175.216 176.870 0.287 0.000 1.372 592 L CA -0.133 54.877 54.840 0.284 0.000 0.857 592 L CB 0.593 42.813 42.059 0.268 0.000 1.024 592 L HN 0.824 nan 8.230 nan 0.000 0.507 593 F N 4.681 124.719 119.950 0.147 0.000 2.492 593 F HA 0.760 5.287 4.527 0.000 0.000 0.327 593 F C -1.642 174.295 175.800 0.230 0.000 1.079 593 F CA -1.878 56.153 58.000 0.052 0.000 0.967 593 F CB 2.107 41.079 39.000 -0.046 0.000 1.169 593 F HN 0.229 nan 8.300 nan 0.000 0.472 594 P HA -0.009 nan 4.420 nan 0.000 0.257 594 P C 1.397 178.186 177.300 -0.852 0.000 1.281 594 P CA 0.324 62.518 63.100 -1.511 0.000 0.826 594 P CB 0.214 31.033 31.700 -1.469 0.000 1.237 595 L N -0.193 120.541 121.223 -0.815 0.000 2.043 595 L HA -0.063 4.277 4.340 0.000 0.000 0.212 595 L C 0.287 176.541 176.870 -1.027 0.000 1.075 595 L CA 1.764 55.940 54.840 -1.108 0.000 0.752 595 L CB -1.180 39.778 42.059 -1.836 0.000 0.891 595 L HN -0.114 nan 8.230 nan 0.000 0.432 596 Y N 0.474 120.495 120.300 -0.465 0.000 2.377 596 Y HA 0.330 4.880 4.550 0.000 0.000 0.339 596 Y C 0.036 175.876 175.900 -0.101 0.000 1.011 596 Y CA -1.915 56.014 58.100 -0.285 0.000 1.093 596 Y CB 0.626 38.983 38.460 -0.172 0.000 1.201 596 Y HN 0.187 nan 8.280 nan 0.000 0.455 597 D N 2.121 122.584 120.400 0.105 0.000 2.400 597 D HA 0.042 4.682 4.640 0.000 0.000 0.238 597 D C -0.428 176.013 176.300 0.235 0.000 1.157 597 D CA -0.373 53.763 54.000 0.227 0.000 0.889 597 D CB 0.729 41.682 40.800 0.254 0.000 1.199 597 D HN 0.482 nan 8.370 nan 0.000 0.436 598 R N 1.194 121.852 120.500 0.264 0.000 2.491 598 R HA 0.139 4.479 4.340 0.000 0.000 0.283 598 R C 0.599 176.968 176.300 0.116 0.000 1.072 598 R CA -0.568 55.623 56.100 0.152 0.000 1.048 598 R CB 0.271 30.608 30.300 0.062 0.000 0.983 598 R HN 0.441 nan 8.270 nan 0.000 0.450 599 N N 4.311 123.015 118.700 0.007 0.000 2.442 599 N HA 0.042 4.782 4.740 0.000 0.000 0.265 599 N C -1.678 173.769 175.510 -0.105 0.000 1.138 599 N CA -1.732 51.266 53.050 -0.086 0.000 0.956 599 N CB 1.187 39.589 38.487 -0.142 0.000 1.067 599 N HN 0.348 nan 8.380 nan 0.000 0.474 600 P HA -0.133 nan 4.420 nan 0.000 0.222 600 P C -0.323 176.851 177.300 -0.209 0.000 1.147 600 P CA 1.114 63.939 63.100 -0.460 0.000 0.790 600 P CB 0.311 31.520 31.700 -0.818 0.000 0.780 601 Q N -1.813 117.888 119.800 -0.165 0.000 2.429 601 Q HA -0.110 4.230 4.340 0.000 0.000 0.232 601 Q C -0.307 175.650 176.000 -0.071 0.000 0.724 601 Q CA 1.102 56.838 55.803 -0.111 0.000 1.287 601 Q CB -2.593 26.087 28.738 -0.098 0.000 1.429 601 Q HN 0.476 nan 8.270 nan 0.000 0.721 602 T N -3.146 111.355 114.554 -0.088 0.000 2.886 602 T HA 0.519 4.869 4.350 0.000 0.000 0.292 602 T C -0.798 173.888 174.700 -0.023 0.000 1.012 602 T CA -0.759 61.322 62.100 -0.032 0.000 0.982 602 T CB 1.356 70.198 68.868 -0.043 0.000 1.018 602 T HN 0.212 nan 8.240 nan 0.000 0.451 603 Y N 3.996 124.254 120.300 -0.069 0.000 2.569 603 Y HA 0.440 4.991 4.550 0.000 0.000 0.332 603 Y C 0.157 176.022 175.900 -0.057 0.000 1.120 603 Y CA 0.108 58.169 58.100 -0.065 0.000 1.416 603 Y CB 0.183 38.617 38.460 -0.043 0.000 1.210 603 Y HN 0.765 nan 8.280 nan 0.000 0.528 604 V N 4.745 124.346 119.914 -0.522 0.000 3.001 604 V HA 0.536 4.656 4.120 0.000 0.000 0.314 604 V C -2.349 173.444 176.094 -0.501 0.000 1.099 604 V CA -2.246 59.850 62.300 -0.340 0.000 0.989 604 V CB 1.710 33.406 31.823 -0.211 0.000 1.040 604 V HN 0.556 nan 8.190 nan 0.000 0.434 605 P HA -0.039 nan 4.420 nan 0.000 0.215 605 P C 0.127 177.367 177.300 -0.100 0.000 1.153 605 P CA 1.422 64.452 63.100 -0.117 0.000 0.853 605 P CB 0.108 31.815 31.700 0.011 0.000 0.788 606 N N -1.158 117.510 118.700 -0.053 0.000 2.533 606 N HA 0.178 4.918 4.740 0.000 0.000 0.289 606 N C 0.500 175.971 175.510 -0.066 0.000 1.103 606 N CA -0.382 52.666 53.050 -0.004 0.000 0.877 606 N CB 0.725 39.296 38.487 0.139 0.000 1.419 606 N HN -0.219 nan 8.380 nan 0.000 0.517 607 I N 2.133 122.607 120.570 -0.159 0.000 2.454 607 I HA -0.206 3.964 4.170 0.000 0.000 0.254 607 I C 1.298 177.306 176.117 -0.181 0.000 1.156 607 I CA 0.942 62.122 61.300 -0.200 0.000 1.433 607 I CB -0.150 37.706 38.000 -0.239 0.000 1.082 607 I HN 0.434 nan 8.210 nan 0.000 0.432 608 F N 0.238 120.027 119.950 -0.267 0.000 2.161 608 F HA -0.195 4.332 4.527 0.000 0.000 0.300 608 F C 1.437 177.005 175.800 -0.388 0.000 1.089 608 F CA 1.474 59.201 58.000 -0.454 0.000 1.282 608 F CB -0.384 38.020 39.000 -0.993 0.000 1.010 608 F HN -0.007 nan 8.300 nan 0.000 0.485 609 F N -0.310 119.777 119.950 0.228 0.000 2.850 609 F HA 0.482 5.009 4.527 0.000 0.000 0.306 609 F C 0.862 176.725 175.800 0.105 0.000 1.162 609 F CA -1.227 56.869 58.000 0.161 0.000 1.327 609 F CB -1.343 37.720 39.000 0.105 0.000 0.953 609 F HN -0.212 nan 8.300 nan 0.000 0.507 610 A N 0.984 123.918 122.820 0.190 0.000 2.498 610 A HA 0.312 4.632 4.320 0.000 0.000 0.239 610 A C 0.620 178.329 177.584 0.208 0.000 1.068 610 A CA -0.195 51.889 52.037 0.078 0.000 0.766 610 A CB 0.255 19.166 19.000 -0.148 0.000 1.003 610 A HN 0.401 nan 8.150 nan 0.000 0.497 611 K N 2.638 123.125 120.400 0.145 0.000 2.090 611 K HA 0.336 4.656 4.320 0.000 0.000 0.249 611 K C -1.955 174.811 176.600 0.277 0.000 0.995 611 K CA -1.756 54.642 56.287 0.185 0.000 0.914 611 K CB 0.469 33.034 32.500 0.109 0.000 1.057 611 K HN 0.299 nan 8.250 nan 0.000 0.462 612 P HA -0.200 nan 4.420 nan 0.000 0.216 612 P C 1.089 178.531 177.300 0.236 0.000 1.153 612 P CA 1.391 64.624 63.100 0.222 0.000 0.858 612 P CB 0.040 31.803 31.700 0.105 0.000 0.789 613 G N -0.984 107.904 108.800 0.147 0.000 2.598 613 G HA2 -0.160 3.800 3.960 0.000 0.000 0.215 613 G HA3 -0.160 3.800 3.960 0.000 0.000 0.215 613 G C 1.034 175.982 174.900 0.079 0.000 1.131 613 G CA 0.324 45.485 45.100 0.101 0.000 0.785 613 G HN 0.179 nan 8.290 nan 0.000 0.539 614 D N -0.319 120.116 120.400 0.058 0.000 2.269 614 D HA -0.001 4.639 4.640 0.000 0.000 0.208 614 D C 0.020 176.230 176.300 -0.150 0.000 0.963 614 D CA 0.300 54.251 54.000 -0.081 0.000 0.864 614 D CB -0.061 40.623 40.800 -0.192 0.000 0.936 614 D HN 0.351 nan 8.370 nan 0.000 0.505 615 Y N 1.706 122.001 120.300 -0.008 0.000 2.480 615 Y HA 0.217 4.767 4.550 0.000 0.000 0.341 615 Y C 0.907 176.793 175.900 -0.023 0.000 1.031 615 Y CA 0.046 58.132 58.100 -0.024 0.000 1.295 615 Y CB 0.462 38.903 38.460 -0.031 0.000 1.162 615 Y HN -0.250 nan 8.280 nan 0.000 0.523 616 Q N 2.612 122.455 119.800 0.071 0.000 2.389 616 Q HA 0.348 4.688 4.340 0.000 0.000 0.277 616 Q C -0.768 175.243 176.000 0.017 0.000 1.082 616 Q CA -1.165 54.661 55.803 0.039 0.000 0.810 616 Q CB 2.742 31.488 28.738 0.014 0.000 1.374 616 Q HN 0.623 nan 8.270 nan 0.000 0.422 617 K N 0.699 121.107 120.400 0.013 0.000 2.319 617 K HA 0.552 4.872 4.320 0.000 0.000 0.265 617 K C -0.445 176.144 176.600 -0.018 0.000 1.000 617 K CA 0.039 56.325 56.287 -0.001 0.000 0.943 617 K CB 0.546 33.050 32.500 0.006 0.000 0.950 617 K HN 0.643 nan 8.250 nan 0.000 0.485 618 A N 1.471 124.267 122.820 -0.041 0.000 2.488 618 A HA 0.329 4.649 4.320 0.000 0.000 0.298 618 A C -0.871 176.658 177.584 -0.090 0.000 1.044 618 A CA -0.777 51.224 52.037 -0.059 0.000 0.693 618 A CB 1.500 20.453 19.000 -0.079 0.000 1.272 618 A HN 0.546 nan 8.150 nan 0.000 0.402 619 T N 3.895 118.404 114.554 -0.076 0.000 2.727 619 T HA 0.375 4.725 4.350 0.000 0.000 0.295 619 T C -0.200 174.413 174.700 -0.145 0.000 0.915 619 T CA -0.062 61.977 62.100 -0.101 0.000 1.066 619 T CB 0.203 69.038 68.868 -0.055 0.000 0.891 619 T HN 0.574 nan 8.240 nan 0.000 0.516 620 Q N 3.073 122.694 119.800 -0.298 0.000 2.245 620 Q HA 0.516 4.856 4.340 0.000 0.000 0.256 620 Q C -0.133 175.731 176.000 -0.227 0.000 0.942 620 Q CA -0.517 55.113 55.803 -0.288 0.000 0.896 620 Q CB 2.128 30.425 28.738 -0.736 0.000 1.272 620 Q HN 0.539 nan 8.270 nan 0.000 0.442 621 R N 0.676 121.130 120.500 -0.077 0.000 2.502 621 R HA 0.492 4.832 4.340 0.000 0.000 0.300 621 R C -1.058 175.185 176.300 -0.095 0.000 0.984 621 R CA -0.568 55.413 56.100 -0.199 0.000 0.882 621 R CB 1.945 31.835 30.300 -0.682 0.000 1.180 621 R HN 0.283 nan 8.270 nan 0.000 0.444 622 V N 4.877 124.819 119.914 0.048 0.000 2.333 622 V HA 0.248 4.369 4.120 0.000 0.000 0.274 622 V C -0.618 175.524 176.094 0.081 0.000 1.028 622 V CA -0.640 61.728 62.300 0.113 0.000 0.851 622 V CB 0.434 32.415 31.823 0.263 0.000 1.000 622 V HN 0.568 nan 8.190 nan 0.000 0.456 623 Y N 3.897 124.276 120.300 0.131 0.000 2.359 623 Y HA 0.348 4.898 4.550 0.000 0.000 0.330 623 Y C 0.906 176.876 175.900 0.117 0.000 1.143 623 Y CA -0.164 58.038 58.100 0.171 0.000 1.318 623 Y CB 1.292 39.826 38.460 0.122 0.000 1.234 623 Y HN 0.499 nan 8.280 nan 0.000 0.522 624 V N -0.692 119.367 119.914 0.241 0.000 2.925 624 V HA 0.323 4.444 4.120 0.000 0.000 0.361 624 V C 0.047 176.214 176.094 0.121 0.000 1.361 624 V CA -0.309 62.078 62.300 0.145 0.000 1.184 624 V CB -0.609 31.280 31.823 0.110 0.000 1.245 624 V HN 0.607 nan 8.190 nan 0.000 0.575 625 S N -0.022 115.776 115.700 0.162 0.000 2.672 625 S HA 0.657 5.127 4.470 0.000 0.000 0.276 625 S C -1.574 173.055 174.600 0.048 0.000 1.207 625 S CA -1.090 57.173 58.200 0.104 0.000 1.002 625 S CB 1.532 64.825 63.200 0.154 0.000 0.998 625 S HN 0.198 nan 8.310 nan 0.000 0.542 626 P HA -0.038 nan 4.420 nan 0.000 0.218 626 P C 0.784 178.077 177.300 -0.011 0.000 1.148 626 P CA 1.177 64.252 63.100 -0.041 0.000 0.822 626 P CB 0.004 31.675 31.700 -0.048 0.000 0.784 627 E N -0.878 119.331 120.200 0.014 0.000 2.158 627 E HA -0.060 4.290 4.350 0.000 0.000 0.191 627 E C 0.685 177.297 176.600 0.019 0.000 0.982 627 E CA 0.923 57.330 56.400 0.012 0.000 0.823 627 E CB -0.220 29.487 29.700 0.011 0.000 0.766 627 E HN 0.360 nan 8.360 nan 0.000 0.468 628 Q N 0.460 120.289 119.800 0.049 0.000 3.300 628 Q HA 0.229 4.569 4.340 0.000 0.000 0.271 628 Q C -2.564 173.519 176.000 0.138 0.000 0.926 628 Q CA -1.610 54.225 55.803 0.054 0.000 0.788 628 Q CB 1.889 30.601 28.738 -0.042 0.000 1.385 628 Q HN 0.054 nan 8.270 nan 0.000 0.424 629 P HA 0.148 nan 4.420 nan 0.000 0.293 629 P C -0.442 177.042 177.300 0.307 0.000 1.300 629 P CA -0.179 63.063 63.100 0.237 0.000 0.792 629 P CB 1.666 33.523 31.700 0.262 0.000 0.925 630 S N 3.339 119.164 115.700 0.209 0.000 2.537 630 S HA 0.589 5.059 4.470 0.000 0.000 0.275 630 S C -0.316 174.364 174.600 0.133 0.000 1.272 630 S CA -0.014 58.237 58.200 0.085 0.000 1.050 630 S CB -0.203 62.976 63.200 -0.036 0.000 0.961 630 S HN 0.555 nan 8.310 nan 0.000 0.496 631 Y N -0.192 120.042 120.300 -0.110 0.000 2.713 631 Y HA 0.720 5.270 4.550 0.000 0.000 0.335 631 Y C -1.782 174.012 175.900 -0.177 0.000 1.222 631 Y CA -1.445 56.516 58.100 -0.232 0.000 1.061 631 Y CB 0.675 38.832 38.460 -0.504 0.000 1.314 631 Y HN 0.421 nan 8.280 nan 0.000 0.453 632 I N 2.065 122.587 120.570 -0.079 0.000 2.418 632 I HA 0.316 4.486 4.170 0.000 0.000 0.287 632 I C -0.253 175.912 176.117 0.080 0.000 1.008 632 I CA -0.912 60.333 61.300 -0.093 0.000 1.104 632 I CB 2.103 40.046 38.000 -0.096 0.000 1.264 632 I HN 0.723 nan 8.210 nan 0.000 0.438 633 S N 7.059 122.840 115.700 0.134 0.000 2.503 633 S HA 0.246 4.716 4.470 0.000 0.000 0.317 633 S C -0.440 174.212 174.600 0.087 0.000 1.162 633 S CA -0.495 57.806 58.200 0.169 0.000 1.124 633 S CB -0.316 63.011 63.200 0.213 0.000 1.207 633 S HN 0.364 nan 8.310 nan 0.000 0.538 634 L N 8.294 129.574 121.223 0.094 0.000 2.290 634 L HA 0.465 4.805 4.340 0.000 0.000 0.284 634 L C -1.921 174.996 176.870 0.079 0.000 1.078 634 L CA -1.801 53.101 54.840 0.103 0.000 0.815 634 L CB 1.113 43.272 42.059 0.167 0.000 1.162 634 L HN 0.399 nan 8.230 nan 0.000 0.435 635 P HA 0.060 nan 4.420 nan 0.000 0.230 635 P C -0.415 176.882 177.300 -0.006 0.000 1.791 635 P CA -0.104 62.990 63.100 -0.011 0.000 1.020 635 P CB 0.009 31.674 31.700 -0.057 0.000 1.977 636 V N 3.273 123.194 119.914 0.010 0.000 2.924 636 V HA 0.227 4.347 4.120 0.000 0.000 0.305 636 V C 1.240 177.304 176.094 -0.050 0.000 1.073 636 V CA 0.229 62.526 62.300 -0.004 0.000 1.098 636 V CB 0.331 32.124 31.823 -0.049 0.000 1.000 636 V HN 0.509 nan 8.190 nan 0.000 0.484 637 R N 0.000 120.473 120.500 -0.046 0.000 2.786 637 R HA 0.000 4.340 4.340 0.000 0.000 0.208 637 R CA 0.000 56.066 56.100 -0.057 0.000 0.921 637 R CB 0.000 30.264 30.300 -0.060 0.000 0.687 637 R HN 0.000 nan 8.270 nan 0.000 0.535