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 1s1h_1_T DATA FIRST_RESID 3 DATA SEQUENCE AFTVDQMRSL MDKVTNVRNM SVIAHVDHGK STLTDSLVQR AGIISAXXXX DATA SEQUENCE XXXXXXXXXX XXXXGITIKS TAISLYSEMS DEDVKEIKQK TDGNSFLINL DATA SEQUENCE IDSPGHVDFS SEVTAALRVT DGALVVVDTI EGVCVQTETV LRQALGERIK DATA SEQUENCE PVVVINKVDR ALLELQVSKE DLYQTFARTV ESVNVIVSTY ADEVLGDVQV DATA SEQUENCE YPARGTVAFG SGLHGWAFTI RQFATRYAKK FGVDKAKMMD RLWGDSFFNP DATA SEQUENCE KTKKWTNKDT DAEGKPLERA FNMFILDPIF RLFTAIMNFK KDEIPVLLEK DATA SEQUENCE LEIVLKGDEK DLEGKALLKV VMRKFLPAAD ALLEMIVLHL PSPVTAQAYR DATA SEQUENCE AEQLYEGPAD DANCIAIKNC DPKADLMLYV SKMVPTSDKG RFYAFGRVFA DATA SEQUENCE GTVKSGQKVR IQGPNYVPGK KDDLFIKAIQ RVVLMMGRFV EPIDDCPAGN DATA SEQUENCE IIGLVGIDQF LLKTGTLTTS ETAHNMKVMK FSVSPVVQVA VEVKNANDLP DATA SEQUENCE KLVEGLKRLS KSDPCVLTYM SESGEHIVAG TGELHLEICL QDLEHDHAGV DATA SEQUENCE PLKISPPVVA YRETVESESS QTALSKSPNK HNRIYLKAEP IDEEVSLAIE DATA SEQUENCE NGIINPRDDF KARARIMADD YGWDVTDARK IWCFGPDGNG PNLVIDQTKA DATA SEQUENCE VQYLHEIKDS VVAAFQWATK EGPIFGEEMR SVRVNILDVT LHADAIHRGG DATA SEQUENCE GQIIPTMRRA TYAGFLLADP KIQEPVFLVE IQCPEQAVGG IYSVLNKKRG DATA SEQUENCE QVVSEEQXXX TPLFTVKAYL PVNESFGFTG ELRQATGGQA FPQMVFDHWS DATA SEQUENCE TLGSDPLDPT SKAGEIVLAA RKRHGMKEEV PGWQEYYDKL 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.426 177.584 -0.263 0.000 1.274 3 A CA 0.000 51.852 52.037 -0.308 0.000 0.836 3 A CB 0.000 18.900 19.000 -0.166 0.000 0.831 4 F N 1.058 120.964 119.950 -0.074 0.000 2.561 4 F HA 0.757 5.284 4.527 -0.001 0.000 0.321 4 F C 1.146 176.912 175.800 -0.058 0.000 1.065 4 F CA -0.430 57.518 58.000 -0.086 0.000 0.934 4 F CB 2.146 41.082 39.000 -0.107 0.000 1.215 4 F HN 0.574 nan 8.300 nan 0.000 0.471 5 T N -1.652 113.000 114.554 0.163 0.000 2.849 5 T HA 0.354 4.703 4.350 -0.001 0.000 0.284 5 T C 1.107 175.831 174.700 0.041 0.000 1.004 5 T CA -0.671 61.466 62.100 0.062 0.000 1.021 5 T CB 1.033 69.913 68.868 0.020 0.000 1.013 5 T HN 0.288 nan 8.240 nan 0.000 0.527 6 V N 1.200 121.127 119.914 0.021 0.000 2.407 6 V HA -0.153 3.967 4.120 -0.001 0.000 0.248 6 V C 2.483 178.567 176.094 -0.016 0.000 1.055 6 V CA 2.003 64.309 62.300 0.011 0.000 1.049 6 V CB -0.800 31.027 31.823 0.006 0.000 0.662 6 V HN 0.875 nan 8.190 nan 0.000 0.455 7 D N -0.311 120.072 120.400 -0.029 0.000 2.117 7 D HA -0.191 4.449 4.640 -0.001 0.000 0.197 7 D C 2.312 178.558 176.300 -0.091 0.000 0.987 7 D CA 1.290 55.260 54.000 -0.050 0.000 0.829 7 D CB -0.144 40.629 40.800 -0.046 0.000 0.961 7 D HN 0.548 nan 8.370 nan 0.000 0.460 8 Q N -0.423 119.302 119.800 -0.125 0.000 2.084 8 Q HA -0.090 4.249 4.340 -0.001 0.000 0.202 8 Q C 2.251 178.086 176.000 -0.275 0.000 0.978 8 Q CA 0.822 56.462 55.803 -0.272 0.000 0.844 8 Q CB 0.009 28.498 28.738 -0.416 0.000 0.898 8 Q HN 0.225 nan 8.270 nan 0.000 0.426 9 M N 0.119 119.639 119.600 -0.133 0.000 2.067 9 M HA -0.147 4.332 4.480 -0.001 0.000 0.260 9 M C 2.182 178.449 176.300 -0.054 0.000 1.069 9 M CA 1.466 56.734 55.300 -0.053 0.000 1.117 9 M CB -0.821 31.799 32.600 0.033 0.000 1.334 9 M HN 0.040 nan 8.290 nan 0.000 0.407 10 R N 0.342 120.813 120.500 -0.049 0.000 2.105 10 R HA -0.115 4.225 4.340 -0.001 0.000 0.239 10 R C 2.427 178.691 176.300 -0.059 0.000 1.135 10 R CA 2.165 58.239 56.100 -0.044 0.000 0.967 10 R CB -0.883 29.393 30.300 -0.038 0.000 0.861 10 R HN 0.379 nan 8.270 nan 0.000 0.442 11 S N -0.752 114.896 115.700 -0.087 0.000 2.368 11 S HA -0.074 4.396 4.470 -0.001 0.000 0.225 11 S C 1.712 176.256 174.600 -0.092 0.000 1.030 11 S CA 0.994 59.137 58.200 -0.095 0.000 0.999 11 S CB -0.277 62.847 63.200 -0.126 0.000 0.844 11 S HN 0.285 nan 8.310 nan 0.000 0.459 12 L N 1.515 122.674 121.223 -0.105 0.000 2.046 12 L HA 0.124 4.463 4.340 -0.001 0.000 0.208 12 L C 2.463 179.311 176.870 -0.037 0.000 1.077 12 L CA 1.794 56.594 54.840 -0.066 0.000 0.747 12 L CB -0.931 41.105 42.059 -0.039 0.000 0.896 12 L HN 0.428 nan 8.230 nan 0.000 0.432 13 M N -1.394 118.187 119.600 -0.031 0.000 2.460 13 M HA -0.170 4.309 4.480 -0.001 0.000 0.263 13 M C 1.511 177.791 176.300 -0.034 0.000 1.071 13 M CA 0.995 56.281 55.300 -0.023 0.000 1.096 13 M CB -0.344 32.245 32.600 -0.019 0.000 1.408 13 M HN 0.179 nan 8.290 nan 0.000 0.463 14 D N 0.916 121.290 120.400 -0.043 0.000 2.183 14 D HA -0.038 4.601 4.640 -0.001 0.000 0.203 14 D C 0.497 176.770 176.300 -0.045 0.000 0.969 14 D CA 1.042 55.016 54.000 -0.043 0.000 0.842 14 D CB 0.086 40.858 40.800 -0.047 0.000 0.957 14 D HN 0.331 nan 8.370 nan 0.000 0.484 15 K N 1.519 121.887 120.400 -0.054 0.000 2.333 15 K HA 0.101 4.420 4.320 -0.001 0.000 0.241 15 K C 1.402 177.973 176.600 -0.050 0.000 1.193 15 K CA -0.224 56.025 56.287 -0.062 0.000 1.142 15 K CB 0.963 33.407 32.500 -0.094 0.000 1.731 15 K HN -0.057 nan 8.250 nan 0.000 0.344 16 V N -1.591 118.303 119.914 -0.034 0.000 2.867 16 V HA -0.240 3.880 4.120 -0.001 0.000 0.260 16 V C 2.058 178.149 176.094 -0.005 0.000 1.099 16 V CA 1.973 64.261 62.300 -0.020 0.000 1.122 16 V CB -1.297 30.511 31.823 -0.025 0.000 0.708 16 V HN 0.613 nan 8.190 nan 0.000 0.490 17 T N -2.107 112.440 114.554 -0.012 0.000 2.915 17 T HA -0.113 4.237 4.350 -0.001 0.000 0.269 17 T C 1.328 176.051 174.700 0.039 0.000 1.071 17 T CA 1.589 63.694 62.100 0.009 0.000 1.132 17 T CB -0.792 68.074 68.868 -0.004 0.000 0.878 17 T HN 0.644 nan 8.240 nan 0.000 0.479 18 N N 1.026 119.716 118.700 -0.017 0.000 2.320 18 N HA 0.313 5.053 4.740 -0.001 0.000 0.237 18 N C -0.910 174.660 175.510 0.099 0.000 1.129 18 N CA -0.156 52.873 53.050 -0.035 0.000 0.854 18 N CB 0.892 39.130 38.487 -0.415 0.000 1.083 18 N HN 0.239 nan 8.380 nan 0.000 0.504 19 V N 1.213 121.189 119.914 0.103 0.000 2.667 19 V HA 0.457 4.576 4.120 -0.001 0.000 0.308 19 V C -0.090 176.070 176.094 0.109 0.000 1.048 19 V CA -0.666 61.693 62.300 0.099 0.000 0.928 19 V CB 2.185 34.033 31.823 0.042 0.000 1.004 19 V HN 0.137 nan 8.190 nan 0.000 0.444 20 R N 2.955 123.514 120.500 0.098 0.000 2.507 20 R HA 0.402 4.742 4.340 -0.001 0.000 0.298 20 R C -1.226 175.110 176.300 0.060 0.000 1.087 20 R CA -0.538 55.606 56.100 0.073 0.000 0.917 20 R CB 1.302 31.639 30.300 0.063 0.000 1.173 20 R HN 0.609 nan 8.270 nan 0.000 0.472 21 N N 4.316 123.045 118.700 0.048 0.000 2.426 21 N HA 0.401 5.141 4.740 -0.001 0.000 0.257 21 N C 0.061 175.606 175.510 0.059 0.000 1.002 21 N CA -0.274 52.805 53.050 0.049 0.000 0.942 21 N CB 1.449 39.950 38.487 0.024 0.000 1.112 21 N HN 0.436 nan 8.380 nan 0.000 0.499 22 M N -0.687 118.951 119.600 0.063 0.000 2.924 22 M HA 0.652 5.132 4.480 -0.001 0.000 0.271 22 M C -0.556 175.777 176.300 0.056 0.000 1.280 22 M CA -0.979 54.355 55.300 0.057 0.000 0.813 22 M CB 1.260 33.885 32.600 0.041 0.000 1.658 22 M HN 0.257 nan 8.290 nan 0.000 0.467 23 S N -0.814 114.911 115.700 0.043 0.000 2.671 23 S HA 0.929 5.399 4.470 -0.001 0.000 0.277 23 S C -1.520 173.087 174.600 0.013 0.000 1.165 23 S CA -0.804 57.415 58.200 0.032 0.000 0.822 23 S CB 1.583 64.807 63.200 0.040 0.000 1.150 23 S HN 0.983 nan 8.310 nan 0.000 0.479 24 V N 1.613 121.527 119.914 0.001 0.000 2.370 24 V HA 0.471 4.590 4.120 -0.001 0.000 0.283 24 V C -0.588 175.500 176.094 -0.011 0.000 1.023 24 V CA -0.575 61.719 62.300 -0.010 0.000 0.857 24 V CB 1.010 32.823 31.823 -0.017 0.000 0.985 24 V HN 0.792 nan 8.190 nan 0.000 0.443 25 I N 4.989 125.553 120.570 -0.009 0.000 2.306 25 I HA 0.719 4.888 4.170 -0.001 0.000 0.288 25 I C 0.284 176.401 176.117 -0.000 0.000 1.036 25 I CA 0.070 61.365 61.300 -0.008 0.000 1.221 25 I CB 0.988 38.987 38.000 -0.001 0.000 1.385 25 I HN 0.757 nan 8.210 nan 0.000 0.472 26 A N 5.446 128.265 122.820 -0.002 0.000 2.594 26 A HA 0.367 4.686 4.320 -0.001 0.000 0.296 26 A C -1.230 176.355 177.584 0.003 0.000 1.061 26 A CA -0.634 51.420 52.037 0.029 0.000 0.689 26 A CB 1.248 20.271 19.000 0.038 0.000 1.280 26 A HN 0.666 nan 8.150 nan 0.000 0.406 27 H N 2.209 121.215 119.070 -0.108 0.000 2.683 27 H HA 0.255 4.810 4.556 -0.001 0.000 0.339 27 H C 1.768 177.016 175.328 -0.133 0.000 1.081 27 H CA 1.014 56.945 56.048 -0.194 0.000 1.432 27 H CB 1.622 31.114 29.762 -0.450 0.000 1.462 27 H HN 0.916 nan 8.280 nan 0.000 0.557 28 V N 2.102 121.903 119.914 -0.189 0.000 2.439 28 V HA -0.254 3.865 4.120 -0.001 0.000 0.253 28 V C 1.224 177.401 176.094 0.137 0.000 1.074 28 V CA 2.196 64.477 62.300 -0.032 0.000 1.076 28 V CB -0.213 31.542 31.823 -0.114 0.000 0.664 28 V HN 0.629 nan 8.190 nan 0.000 0.461 29 D N -0.779 119.847 120.400 0.378 0.000 2.349 29 D HA 0.018 4.657 4.640 -0.001 0.000 0.224 29 D C 1.440 177.883 176.300 0.240 0.000 1.029 29 D CA 0.864 54.990 54.000 0.210 0.000 0.879 29 D CB -0.373 40.482 40.800 0.092 0.000 0.906 29 D HN 0.735 nan 8.370 nan 0.000 0.528 30 H N -0.774 118.354 119.070 0.097 0.000 2.507 30 H HA 0.296 4.852 4.556 -0.001 0.000 0.294 30 H C 1.003 176.335 175.328 0.007 0.000 1.064 30 H CA -0.170 55.894 56.048 0.027 0.000 1.138 30 H CB 0.695 30.470 29.762 0.023 0.000 1.515 30 H HN 0.107 nan 8.280 nan 0.000 0.547 31 G N 1.975 110.850 108.800 0.125 0.000 2.137 31 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.237 31 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.237 31 G C 1.084 176.003 174.900 0.031 0.000 1.002 31 G CA 0.604 45.736 45.100 0.054 0.000 0.702 31 G HN 0.459 nan 8.290 nan 0.000 0.515 32 K N 0.513 120.937 120.400 0.039 0.000 2.001 32 K HA -0.132 4.188 4.320 -0.001 0.000 0.214 32 K C 2.722 179.317 176.600 -0.007 0.000 1.050 32 K CA 2.282 58.574 56.287 0.008 0.000 0.934 32 K CB -0.434 32.063 32.500 -0.006 0.000 0.718 32 K HN 0.441 nan 8.250 nan 0.000 0.443 33 S N -0.143 115.552 115.700 -0.009 0.000 2.359 33 S HA -0.176 4.293 4.470 -0.001 0.000 0.224 33 S C 2.034 176.630 174.600 -0.008 0.000 1.035 33 S CA 2.434 60.625 58.200 -0.015 0.000 1.018 33 S CB -0.815 62.376 63.200 -0.016 0.000 0.876 33 S HN 0.698 nan 8.310 nan 0.000 0.448 34 T N 0.477 115.032 114.554 0.001 0.000 2.788 34 T HA 0.011 4.360 4.350 -0.001 0.000 0.268 34 T C 1.911 176.608 174.700 -0.004 0.000 1.044 34 T CA 1.383 63.486 62.100 0.004 0.000 1.139 34 T CB -0.673 68.203 68.868 0.012 0.000 0.867 34 T HN 0.404 nan 8.240 nan 0.000 0.454 35 L N 1.618 122.833 121.223 -0.014 0.000 2.056 35 L HA -0.041 4.299 4.340 -0.001 0.000 0.207 35 L C 3.385 180.244 176.870 -0.018 0.000 1.078 35 L CA 1.797 56.622 54.840 -0.025 0.000 0.749 35 L CB -1.122 40.913 42.059 -0.039 0.000 0.901 35 L HN 0.549 nan 8.230 nan 0.000 0.433 36 T N -3.896 110.648 114.554 -0.016 0.000 2.777 36 T HA -0.186 4.164 4.350 -0.001 0.000 0.266 36 T C 1.525 176.221 174.700 -0.007 0.000 1.040 36 T CA 1.298 63.390 62.100 -0.013 0.000 1.141 36 T CB -0.368 68.490 68.868 -0.018 0.000 0.868 36 T HN 0.189 nan 8.240 nan 0.000 0.444 37 D N 1.144 121.540 120.400 -0.006 0.000 2.149 37 D HA -0.081 4.559 4.640 -0.001 0.000 0.198 37 D C 2.382 178.686 176.300 0.006 0.000 0.990 37 D CA 1.402 55.402 54.000 0.000 0.000 0.839 37 D CB -0.593 40.208 40.800 0.002 0.000 0.948 37 D HN 0.491 nan 8.370 nan 0.000 0.460 38 S N -0.154 115.550 115.700 0.006 0.000 2.368 38 S HA -0.098 4.371 4.470 -0.001 0.000 0.225 38 S C 2.144 176.751 174.600 0.011 0.000 1.030 38 S CA 0.649 58.856 58.200 0.011 0.000 0.999 38 S CB -0.248 62.956 63.200 0.007 0.000 0.844 38 S HN 0.181 nan 8.310 nan 0.000 0.459 39 L N 0.891 122.117 121.223 0.005 0.000 2.017 39 L HA -0.070 4.269 4.340 -0.001 0.000 0.208 39 L C 2.531 179.411 176.870 0.017 0.000 1.073 39 L CA 1.112 55.957 54.840 0.008 0.000 0.745 39 L CB -0.618 41.442 42.059 0.003 0.000 0.894 39 L HN 0.233 nan 8.230 nan 0.000 0.432 40 V N -0.431 119.492 119.914 0.014 0.000 2.295 40 V HA -0.320 3.800 4.120 -0.001 0.000 0.246 40 V C 2.444 178.548 176.094 0.017 0.000 1.049 40 V CA 1.785 64.096 62.300 0.018 0.000 1.024 40 V CB -0.628 31.202 31.823 0.013 0.000 0.648 40 V HN 0.507 nan 8.190 nan 0.000 0.447 41 Q N -0.403 119.406 119.800 0.015 0.000 2.124 41 Q HA -0.258 4.082 4.340 -0.001 0.000 0.202 41 Q C 2.432 178.442 176.000 0.018 0.000 0.977 41 Q CA 1.842 57.655 55.803 0.016 0.000 0.850 41 Q CB -0.219 28.529 28.738 0.018 0.000 0.901 41 Q HN 0.478 nan 8.270 nan 0.000 0.429 42 R N 0.105 120.619 120.500 0.023 0.000 2.100 42 R HA 0.030 4.369 4.340 -0.001 0.000 0.220 42 R C 0.979 177.300 176.300 0.035 0.000 1.091 42 R CA 1.491 57.607 56.100 0.028 0.000 0.986 42 R CB 0.125 30.441 30.300 0.027 0.000 0.888 42 R HN 0.147 nan 8.270 nan 0.000 0.444 43 A N -0.871 121.972 122.820 0.039 0.000 2.661 43 A HA 0.427 4.746 4.320 -0.001 0.000 0.278 43 A C 0.527 178.150 177.584 0.064 0.000 1.090 43 A CA -0.038 52.038 52.037 0.065 0.000 0.969 43 A CB 0.108 19.150 19.000 0.071 0.000 1.240 43 A HN 0.335 nan 8.150 nan 0.000 0.578 44 G N 0.346 109.166 108.800 0.033 0.000 2.414 44 G HA2 0.401 4.360 3.960 -0.001 0.000 0.236 44 G HA3 0.401 4.360 3.960 -0.001 0.000 0.236 44 G C -0.129 174.765 174.900 -0.009 0.000 1.293 44 G CA 0.198 45.313 45.100 0.026 0.000 0.869 44 G HN 0.346 nan 8.290 nan 0.000 0.556 45 I N 1.497 122.070 120.570 0.005 0.000 2.412 45 I HA 0.427 4.597 4.170 -0.001 0.000 0.296 45 I C 0.076 176.174 176.117 -0.032 0.000 0.987 45 I CA -0.432 60.831 61.300 -0.060 0.000 1.180 45 I CB 1.617 39.645 38.000 0.046 0.000 1.340 45 I HN 0.210 nan 8.210 nan 0.000 0.455 46 I N 3.430 123.946 120.570 -0.090 0.000 2.828 46 I HA 0.280 4.450 4.170 -0.001 0.000 0.302 46 I C 0.032 176.123 176.117 -0.044 0.000 1.101 46 I CA -0.642 60.632 61.300 -0.042 0.000 1.031 46 I CB 2.378 40.343 38.000 -0.057 0.000 1.231 46 I HN 0.464 nan 8.210 nan 0.000 0.427 47 S N 2.540 118.228 115.700 -0.020 0.000 2.572 47 S HA 0.361 4.830 4.470 -0.001 0.000 0.279 47 S C 0.431 175.014 174.600 -0.029 0.000 1.341 47 S CA -0.573 57.623 58.200 -0.007 0.000 1.043 47 S CB 1.100 64.289 63.200 -0.017 0.000 0.887 47 S HN 0.663 nan 8.310 nan 0.000 0.516 68 I N 2.129 122.760 120.570 0.101 0.000 2.577 68 I HA 0.584 4.753 4.170 -0.001 0.000 0.300 68 I C 0.676 176.849 176.117 0.095 0.000 0.990 68 I CA -0.397 60.950 61.300 0.078 0.000 1.283 68 I CB 1.890 39.949 38.000 0.098 0.000 1.411 68 I HN 0.187 nan 8.210 nan 0.000 0.515 69 T N 3.328 117.874 114.554 -0.012 0.000 2.903 69 T HA 0.796 5.145 4.350 -0.001 0.000 0.299 69 T C -0.532 174.056 174.700 -0.186 0.000 1.093 69 T CA -0.745 61.295 62.100 -0.100 0.000 1.002 69 T CB 2.185 70.971 68.868 -0.137 0.000 1.127 69 T HN 0.577 nan 8.240 nan 0.000 0.488 70 I N -2.051 118.378 120.570 -0.234 0.000 3.264 70 I HA 0.671 4.840 4.170 -0.001 0.000 0.315 70 I C -0.760 175.202 176.117 -0.259 0.000 1.154 70 I CA -1.583 59.564 61.300 -0.255 0.000 0.962 70 I CB 2.193 40.075 38.000 -0.197 0.000 1.265 70 I HN 0.685 nan 8.210 nan 0.000 0.463 71 K N 2.076 122.324 120.400 -0.254 0.000 2.322 71 K HA 0.181 4.500 4.320 -0.001 0.000 0.283 71 K C -0.025 176.440 176.600 -0.225 0.000 1.042 71 K CA -0.069 56.078 56.287 -0.234 0.000 0.958 71 K CB 1.036 33.399 32.500 -0.229 0.000 0.984 71 K HN 0.735 nan 8.250 nan 0.000 0.473 72 S N 3.006 118.576 115.700 -0.217 0.000 2.629 72 S HA -0.019 4.450 4.470 -0.001 0.000 0.302 72 S C 0.494 174.965 174.600 -0.214 0.000 1.244 72 S CA 0.102 58.184 58.200 -0.198 0.000 1.098 72 S CB 0.204 63.303 63.200 -0.170 0.000 0.858 72 S HN 0.723 nan 8.310 nan 0.000 0.502 73 T N 3.926 118.325 114.554 -0.257 0.000 2.964 73 T HA 0.531 4.881 4.350 -0.001 0.000 0.249 73 T C 0.191 174.660 174.700 -0.386 0.000 1.000 73 T CA 0.425 62.280 62.100 -0.408 0.000 0.992 73 T CB 0.481 68.945 68.868 -0.675 0.000 1.087 73 T HN 0.800 nan 8.240 nan 0.000 0.489 74 A N 0.764 123.451 122.820 -0.220 0.000 2.604 74 A HA 0.783 5.103 4.320 -0.001 0.000 0.295 74 A C -1.869 175.716 177.584 0.001 0.000 1.067 74 A CA -0.727 51.272 52.037 -0.063 0.000 0.683 74 A CB 1.094 20.142 19.000 0.079 0.000 1.281 74 A HN 0.265 nan 8.150 nan 0.000 0.407 75 I N 0.827 121.415 120.570 0.031 0.000 2.689 75 I HA 0.463 4.632 4.170 -0.001 0.000 0.299 75 I C -0.065 176.097 176.117 0.075 0.000 1.059 75 I CA -0.598 60.729 61.300 0.045 0.000 1.055 75 I CB 2.568 40.583 38.000 0.025 0.000 1.243 75 I HN 0.545 nan 8.210 nan 0.000 0.425 76 S N 5.459 121.213 115.700 0.090 0.000 2.462 76 S HA 0.674 5.143 4.470 -0.001 0.000 0.294 76 S C -0.649 174.023 174.600 0.120 0.000 1.144 76 S CA -0.563 57.707 58.200 0.115 0.000 1.088 76 S CB 1.315 64.597 63.200 0.137 0.000 1.009 76 S HN 0.189 nan 8.310 nan 0.000 0.484 77 L N 2.722 124.027 121.223 0.137 0.000 2.333 77 L HA 0.575 4.914 4.340 -0.001 0.000 0.269 77 L C -0.835 176.180 176.870 0.241 0.000 1.010 77 L CA -0.765 54.163 54.840 0.146 0.000 0.818 77 L CB 1.032 43.148 42.059 0.095 0.000 1.306 77 L HN 0.731 nan 8.230 nan 0.000 0.430 78 Y N 1.215 121.584 120.300 0.114 0.000 2.361 78 Y HA 0.689 5.239 4.550 -0.001 0.000 0.337 78 Y C -0.539 175.450 175.900 0.148 0.000 0.965 78 Y CA -0.399 57.810 58.100 0.182 0.000 1.091 78 Y CB 1.935 40.550 38.460 0.258 0.000 1.182 78 Y HN 0.567 nan 8.280 nan 0.000 0.450 79 S N 4.873 120.316 115.700 -0.430 0.000 2.540 79 S HA 0.564 5.033 4.470 -0.001 0.000 0.275 79 S C -1.784 172.630 174.600 -0.310 0.000 1.123 79 S CA -0.697 57.333 58.200 -0.283 0.000 0.907 79 S CB 1.143 64.286 63.200 -0.096 0.000 1.081 79 S HN 0.766 nan 8.310 nan 0.000 0.476 80 E N 3.621 123.718 120.200 -0.173 0.000 2.187 80 E HA 0.477 4.826 4.350 -0.001 0.000 0.268 80 E C -0.711 175.915 176.600 0.044 0.000 0.896 80 E CA -0.842 55.541 56.400 -0.028 0.000 0.766 80 E CB 1.657 31.356 29.700 -0.003 0.000 1.142 80 E HN 0.514 nan 8.360 nan 0.000 0.408 81 M N 1.292 120.966 119.600 0.124 0.000 2.644 81 M HA 0.316 4.796 4.480 -0.001 0.000 0.316 81 M C 0.349 176.691 176.300 0.070 0.000 1.200 81 M CA -0.844 54.495 55.300 0.065 0.000 0.944 81 M CB 1.752 34.377 32.600 0.041 0.000 1.691 81 M HN 0.547 nan 8.290 nan 0.000 0.471 82 S N -0.183 115.538 115.700 0.036 0.000 2.600 82 S HA 0.133 4.602 4.470 -0.001 0.000 0.265 82 S C 0.576 175.199 174.600 0.039 0.000 1.325 82 S CA -0.477 57.743 58.200 0.033 0.000 1.002 82 S CB 0.782 63.993 63.200 0.018 0.000 0.921 82 S HN 0.636 nan 8.310 nan 0.000 0.554 83 D N 1.160 121.580 120.400 0.033 0.000 2.182 83 D HA -0.154 4.485 4.640 -0.001 0.000 0.201 83 D C 1.945 178.260 176.300 0.025 0.000 0.986 83 D CA 1.830 55.849 54.000 0.031 0.000 0.847 83 D CB -0.107 40.707 40.800 0.023 0.000 0.942 83 D HN 0.944 nan 8.370 nan 0.000 0.467 84 E N 1.067 121.278 120.200 0.018 0.000 2.076 84 E HA -0.153 4.197 4.350 -0.001 0.000 0.190 84 E C 1.338 177.940 176.600 0.005 0.000 0.979 84 E CA 0.896 57.303 56.400 0.011 0.000 0.807 84 E CB -0.104 29.600 29.700 0.008 0.000 0.761 84 E HN -0.023 nan 8.360 nan 0.000 0.454 85 D N 1.306 121.706 120.400 0.001 0.000 2.092 85 D HA -0.152 4.487 4.640 -0.001 0.000 0.193 85 D C 2.226 178.516 176.300 -0.017 0.000 0.994 85 D CA 1.567 55.555 54.000 -0.019 0.000 0.828 85 D CB -0.439 40.343 40.800 -0.029 0.000 0.963 85 D HN 0.107 nan 8.370 nan 0.000 0.450 86 V N 1.014 120.943 119.914 0.025 0.000 2.453 86 V HA -0.265 3.855 4.120 -0.001 0.000 0.252 86 V C 2.188 178.304 176.094 0.037 0.000 1.068 86 V CA 1.602 63.943 62.300 0.068 0.000 1.070 86 V CB -0.436 31.463 31.823 0.126 0.000 0.664 86 V HN 0.242 nan 8.190 nan 0.000 0.461 87 K N -0.343 120.069 120.400 0.020 0.000 2.283 87 K HA -0.155 4.165 4.320 -0.001 0.000 0.202 87 K C 2.004 178.602 176.600 -0.003 0.000 1.048 87 K CA 1.177 57.470 56.287 0.011 0.000 0.948 87 K CB -0.120 32.386 32.500 0.009 0.000 0.742 87 K HN 0.573 nan 8.250 nan 0.000 0.458 88 E N 0.688 120.876 120.200 -0.020 0.000 2.358 88 E HA -0.017 4.332 4.350 -0.001 0.000 0.195 88 E C 0.115 176.678 176.600 -0.062 0.000 1.010 88 E CA 0.102 56.479 56.400 -0.039 0.000 0.856 88 E CB 0.103 29.770 29.700 -0.055 0.000 0.795 88 E HN 0.259 nan 8.360 nan 0.000 0.504 89 I N 2.601 123.135 120.570 -0.059 0.000 2.664 89 I HA -0.073 4.097 4.170 -0.001 0.000 0.284 89 I C 0.409 176.513 176.117 -0.022 0.000 1.154 89 I CA 0.569 61.830 61.300 -0.066 0.000 1.402 89 I CB 0.317 38.303 38.000 -0.024 0.000 1.395 89 I HN -0.172 nan 8.210 nan 0.000 0.545 90 K N 7.305 127.691 120.400 -0.024 0.000 3.006 90 K HA 0.162 4.482 4.320 -0.001 0.000 0.265 90 K C -0.176 176.438 176.600 0.024 0.000 1.279 90 K CA -0.054 56.237 56.287 0.007 0.000 1.229 90 K CB -0.023 32.486 32.500 0.015 0.000 1.555 90 K HN 0.558 nan 8.250 nan 0.000 0.300 91 Q N 0.582 120.399 119.800 0.028 0.000 2.479 91 Q HA 0.157 4.496 4.340 -0.001 0.000 0.276 91 Q C -1.493 174.534 176.000 0.046 0.000 0.989 91 Q CA -0.884 54.945 55.803 0.043 0.000 0.864 91 Q CB 1.545 30.313 28.738 0.050 0.000 1.444 91 Q HN 0.084 nan 8.270 nan 0.000 0.388 92 K N 1.641 122.067 120.400 0.042 0.000 2.491 92 K HA 0.118 4.438 4.320 -0.001 0.000 0.279 92 K C -1.103 175.523 176.600 0.044 0.000 1.026 92 K CA 1.067 57.374 56.287 0.034 0.000 1.070 92 K CB 0.383 32.897 32.500 0.024 0.000 0.887 92 K HN 0.562 nan 8.250 nan 0.000 0.481 93 T N 2.836 117.412 114.554 0.036 0.000 2.906 93 T HA 0.199 4.549 4.350 -0.001 0.000 0.295 93 T C -1.406 173.285 174.700 -0.016 0.000 1.061 93 T CA -0.808 61.313 62.100 0.036 0.000 1.000 93 T CB 1.539 70.463 68.868 0.094 0.000 1.103 93 T HN 0.542 nan 8.240 nan 0.000 0.486 94 D N 0.712 121.068 120.400 -0.074 0.000 2.330 94 D HA 0.526 5.165 4.640 -0.001 0.000 0.249 94 D C 0.251 176.462 176.300 -0.149 0.000 1.306 94 D CA 0.528 54.475 54.000 -0.088 0.000 0.956 94 D CB 0.021 40.775 40.800 -0.077 0.000 1.261 94 D HN 1.040 nan 8.370 nan 0.000 0.544 95 G N 2.760 111.488 108.800 -0.121 0.000 2.655 95 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.680 95 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.680 95 G C 0.183 174.967 174.900 -0.193 0.000 1.302 95 G CA -0.640 44.376 45.100 -0.139 0.000 0.872 95 G HN 0.364 nan 8.290 nan 0.000 0.540 96 N N -0.251 118.365 118.700 -0.138 0.000 2.236 96 N HA 0.256 4.995 4.740 -0.001 0.000 0.196 96 N C 0.471 175.909 175.510 -0.121 0.000 1.114 96 N CA 0.624 53.649 53.050 -0.041 0.000 0.859 96 N CB 0.825 39.342 38.487 0.051 0.000 0.982 96 N HN 0.520 nan 8.380 nan 0.000 0.493 97 S N 0.329 115.811 115.700 -0.362 0.000 2.541 97 S HA 0.577 5.046 4.470 -0.001 0.000 0.283 97 S C -0.597 173.584 174.600 -0.698 0.000 1.196 97 S CA -0.334 57.672 58.200 -0.323 0.000 1.062 97 S CB 0.803 63.971 63.200 -0.053 0.000 1.009 97 S HN 0.046 nan 8.310 nan 0.000 0.502 98 F N 1.557 121.394 119.950 -0.189 0.000 2.569 98 F HA 0.495 5.022 4.527 -0.001 0.000 0.312 98 F C -0.590 175.196 175.800 -0.025 0.000 1.109 98 F CA -0.987 56.959 58.000 -0.090 0.000 0.919 98 F CB 1.369 40.311 39.000 -0.097 0.000 1.211 98 F HN 0.311 nan 8.300 nan 0.000 0.446 99 L N 4.918 126.258 121.223 0.194 0.000 2.272 99 L HA 0.659 4.998 4.340 -0.001 0.000 0.289 99 L C -1.076 175.891 176.870 0.162 0.000 1.032 99 L CA -0.321 54.637 54.840 0.197 0.000 0.810 99 L CB 0.632 42.781 42.059 0.149 0.000 1.205 99 L HN 0.497 nan 8.230 nan 0.000 0.422 100 I N 4.914 125.573 120.570 0.149 0.000 2.362 100 I HA 0.334 4.503 4.170 -0.001 0.000 0.289 100 I C -0.407 175.769 176.117 0.099 0.000 0.994 100 I CA -0.438 60.926 61.300 0.107 0.000 1.158 100 I CB 1.318 39.364 38.000 0.078 0.000 1.315 100 I HN 0.636 nan 8.210 nan 0.000 0.451 101 N N 6.398 125.151 118.700 0.088 0.000 2.420 101 N HA 0.328 5.067 4.740 -0.001 0.000 0.249 101 N C -0.849 174.710 175.510 0.083 0.000 1.033 101 N CA -0.566 52.540 53.050 0.093 0.000 0.944 101 N CB 1.247 39.790 38.487 0.094 0.000 1.113 101 N HN 0.361 nan 8.380 nan 0.000 0.502 102 L N 5.133 126.400 121.223 0.074 0.000 2.270 102 L HA 0.429 4.768 4.340 -0.001 0.000 0.286 102 L C -0.879 176.023 176.870 0.053 0.000 1.059 102 L CA -0.268 54.603 54.840 0.052 0.000 0.839 102 L CB 0.025 42.104 42.059 0.034 0.000 1.221 102 L HN 0.496 nan 8.230 nan 0.000 0.431 103 I N 3.703 124.315 120.570 0.070 0.000 2.371 103 I HA 0.131 4.300 4.170 -0.001 0.000 0.290 103 I C 0.309 176.434 176.117 0.014 0.000 1.028 103 I CA -0.529 60.817 61.300 0.076 0.000 1.345 103 I CB 0.923 39.021 38.000 0.162 0.000 1.407 103 I HN 0.562 nan 8.210 nan 0.000 0.501 104 D N 5.089 125.457 120.400 -0.052 0.000 2.443 104 D HA 0.169 4.809 4.640 -0.001 0.000 0.239 104 D C -0.399 175.869 176.300 -0.052 0.000 1.136 104 D CA 0.286 54.241 54.000 -0.075 0.000 0.879 104 D CB 0.754 41.474 40.800 -0.133 0.000 1.195 104 D HN 0.579 nan 8.370 nan 0.000 0.443 105 S N 2.260 117.931 115.700 -0.049 0.000 2.541 105 S HA 0.586 5.055 4.470 -0.001 0.000 0.280 105 S C -2.153 172.408 174.600 -0.064 0.000 1.112 105 S CA -1.098 57.083 58.200 -0.032 0.000 0.925 105 S CB 1.964 65.156 63.200 -0.012 0.000 1.067 105 S HN 0.264 nan 8.310 nan 0.000 0.479 106 P HA 0.276 nan 4.420 nan 0.000 0.197 106 P C 1.281 178.519 177.300 -0.103 0.000 1.076 106 P CA 2.123 65.134 63.100 -0.148 0.000 0.876 106 P CB -0.259 31.329 31.700 -0.187 0.000 0.705 107 G N -2.892 105.922 108.800 0.025 0.000 3.033 107 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.196 107 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.196 107 G C -0.020 174.925 174.900 0.075 0.000 1.078 107 G CA 0.051 45.144 45.100 -0.012 0.000 0.805 107 G HN 0.709 nan 8.290 nan 0.000 0.472 108 H N 0.727 119.737 119.070 -0.102 0.000 3.659 108 H HA 0.376 4.932 4.556 -0.001 0.000 0.209 108 H C 0.288 175.580 175.328 -0.061 0.000 0.999 108 H CA -0.033 55.975 56.048 -0.066 0.000 1.398 108 H CB -0.446 29.304 29.762 -0.020 0.000 1.608 108 H HN 0.782 nan 8.280 nan 0.000 0.589 109 V N 0.700 120.579 119.914 -0.059 0.000 2.769 109 V HA 0.376 4.495 4.120 -0.001 0.000 0.312 109 V C -0.280 175.734 176.094 -0.133 0.000 1.061 109 V CA -0.964 61.224 62.300 -0.186 0.000 0.931 109 V CB 2.488 34.144 31.823 -0.277 0.000 1.010 109 V HN 0.777 nan 8.190 nan 0.000 0.433 110 D N 2.471 122.799 120.400 -0.120 0.000 2.825 110 D HA 0.203 4.842 4.640 -0.001 0.000 0.294 110 D C -0.451 176.065 176.300 0.359 0.000 1.651 110 D CA 0.173 54.241 54.000 0.114 0.000 0.847 110 D CB 0.323 41.209 40.800 0.144 0.000 1.389 110 D HN 0.668 nan 8.370 nan 0.000 0.426 111 F N 1.044 121.004 119.950 0.018 0.000 2.755 111 F HA -0.224 4.302 4.527 -0.001 0.000 0.394 111 F C 0.633 176.178 175.800 -0.424 0.000 1.062 111 F CA -0.181 57.635 58.000 -0.306 0.000 1.319 111 F CB -2.176 37.207 39.000 0.637 0.000 1.716 111 F HN -0.070 nan 8.300 nan 0.000 0.724 112 S N -0.617 114.790 115.700 -0.487 0.000 2.580 112 S HA 0.494 4.963 4.470 -0.001 0.000 0.274 112 S C 1.256 175.490 174.600 -0.611 0.000 1.329 112 S CA -0.082 57.596 58.200 -0.870 0.000 1.036 112 S CB 1.833 64.403 63.200 -1.050 0.000 0.919 112 S HN 0.709 nan 8.310 nan 0.000 0.515 113 S N 1.408 116.769 115.700 -0.566 0.000 2.428 113 S HA -0.089 4.380 4.470 -0.001 0.000 0.230 113 S C 1.356 175.931 174.600 -0.042 0.000 1.014 113 S CA 0.445 58.539 58.200 -0.176 0.000 0.957 113 S CB -0.548 62.632 63.200 -0.035 0.000 0.784 113 S HN 0.774 nan 8.310 nan 0.000 0.499 114 E N 1.864 122.084 120.200 0.032 0.000 2.031 114 E HA -0.070 4.279 4.350 -0.001 0.000 0.193 114 E C 2.374 179.037 176.600 0.104 0.000 0.994 114 E CA 1.183 57.684 56.400 0.167 0.000 0.800 114 E CB -1.108 28.799 29.700 0.345 0.000 0.752 114 E HN 0.452 nan 8.360 nan 0.000 0.447 115 V N 1.799 121.735 119.914 0.036 0.000 2.324 115 V HA -0.265 3.855 4.120 -0.001 0.000 0.250 115 V C 2.387 178.466 176.094 -0.027 0.000 1.060 115 V CA 2.334 64.628 62.300 -0.010 0.000 1.042 115 V CB -1.026 30.715 31.823 -0.137 0.000 0.650 115 V HN 0.304 nan 8.190 nan 0.000 0.450 116 T N -0.036 114.474 114.554 -0.073 0.000 2.929 116 T HA -0.092 4.258 4.350 -0.001 0.000 0.271 116 T C 1.939 176.690 174.700 0.086 0.000 1.085 116 T CA 1.296 63.384 62.100 -0.019 0.000 1.125 116 T CB -0.295 68.551 68.868 -0.037 0.000 0.874 116 T HN 0.598 nan 8.240 nan 0.000 0.494 117 A N 1.271 124.164 122.820 0.122 0.000 1.897 117 A HA 0.327 4.646 4.320 -0.001 0.000 0.215 117 A C 2.608 180.338 177.584 0.244 0.000 1.181 117 A CA 1.428 53.596 52.037 0.217 0.000 0.620 117 A CB -0.914 18.202 19.000 0.193 0.000 0.821 117 A HN 0.485 nan 8.150 nan 0.000 0.443 118 A N -0.316 122.614 122.820 0.182 0.000 1.929 118 A HA 0.076 4.395 4.320 -0.001 0.000 0.216 118 A C 2.120 179.807 177.584 0.171 0.000 1.176 118 A CA 1.236 53.387 52.037 0.191 0.000 0.628 118 A CB -0.528 18.547 19.000 0.126 0.000 0.816 118 A HN 0.443 nan 8.150 nan 0.000 0.444 119 L N -1.114 120.183 121.223 0.124 0.000 2.083 119 L HA -0.148 4.191 4.340 -0.001 0.000 0.209 119 L C 2.708 179.660 176.870 0.136 0.000 1.083 119 L CA 1.570 56.474 54.840 0.107 0.000 0.752 119 L CB -0.409 41.692 42.059 0.069 0.000 0.899 119 L HN 0.425 nan 8.230 nan 0.000 0.433 120 R N 0.374 120.969 120.500 0.159 0.000 2.127 120 R HA -0.151 4.189 4.340 -0.001 0.000 0.238 120 R C 1.833 178.269 176.300 0.227 0.000 1.134 120 R CA 1.640 57.832 56.100 0.154 0.000 0.975 120 R CB -0.101 30.279 30.300 0.133 0.000 0.865 120 R HN 0.413 nan 8.270 nan 0.000 0.447 121 V N -1.718 118.351 119.914 0.260 0.000 3.646 121 V HA 0.156 4.275 4.120 -0.001 0.000 0.277 121 V C 0.446 176.619 176.094 0.133 0.000 1.274 121 V CA 0.362 62.791 62.300 0.214 0.000 1.164 121 V CB -0.521 31.398 31.823 0.159 0.000 0.926 121 V HN 0.290 nan 8.190 nan 0.000 0.442 122 T N -3.382 111.258 114.554 0.144 0.000 2.940 122 T HA 0.574 4.923 4.350 -0.001 0.000 0.288 122 T C -0.014 174.753 174.700 0.112 0.000 1.033 122 T CA -0.327 61.839 62.100 0.110 0.000 1.033 122 T CB 2.353 71.282 68.868 0.102 0.000 1.079 122 T HN 0.179 nan 8.240 nan 0.000 0.496 123 D N 0.367 120.823 120.400 0.094 0.000 2.479 123 D HA 0.260 4.899 4.640 -0.001 0.000 0.221 123 D C 0.867 177.232 176.300 0.108 0.000 1.104 123 D CA 0.177 54.240 54.000 0.104 0.000 0.849 123 D CB 0.816 41.663 40.800 0.077 0.000 1.072 123 D HN 0.828 nan 8.370 nan 0.000 0.502 124 G N -0.089 108.761 108.800 0.084 0.000 2.642 124 G HA2 0.669 4.629 3.960 -0.001 0.000 0.293 124 G HA3 0.669 4.629 3.960 -0.001 0.000 0.293 124 G C -1.579 173.352 174.900 0.051 0.000 1.341 124 G CA -0.550 44.592 45.100 0.070 0.000 0.916 124 G HN 0.121 nan 8.290 nan 0.000 0.474 125 A N 0.059 122.899 122.820 0.034 0.000 2.455 125 A HA 0.665 4.984 4.320 -0.001 0.000 0.300 125 A C -1.536 176.044 177.584 -0.008 0.000 1.040 125 A CA -0.607 51.441 52.037 0.018 0.000 0.697 125 A CB 1.948 20.962 19.000 0.023 0.000 1.265 125 A HN 1.429 nan 8.150 nan 0.000 0.407 126 L N 3.309 124.522 121.223 -0.018 0.000 2.259 126 L HA 0.606 4.946 4.340 -0.001 0.000 0.288 126 L C -0.875 175.966 176.870 -0.047 0.000 1.051 126 L CA -0.150 54.664 54.840 -0.044 0.000 0.824 126 L CB 0.961 42.993 42.059 -0.045 0.000 1.206 126 L HN 0.395 nan 8.230 nan 0.000 0.429 127 V N 6.243 126.118 119.914 -0.065 0.000 2.383 127 V HA 0.369 4.489 4.120 -0.001 0.000 0.275 127 V C 0.051 176.100 176.094 -0.075 0.000 1.036 127 V CA -0.643 61.624 62.300 -0.055 0.000 0.889 127 V CB 1.410 33.201 31.823 -0.053 0.000 0.985 127 V HN 0.508 nan 8.190 nan 0.000 0.459 128 V N 6.265 126.155 119.914 -0.039 0.000 2.407 128 V HA 0.506 4.625 4.120 -0.001 0.000 0.278 128 V C 0.041 176.136 176.094 0.001 0.000 1.037 128 V CA -0.342 61.933 62.300 -0.042 0.000 0.900 128 V CB 1.558 33.379 31.823 -0.005 0.000 0.983 128 V HN 0.614 nan 8.190 nan 0.000 0.459 129 V N 3.249 123.121 119.914 -0.069 0.000 2.914 129 V HA 0.441 4.560 4.120 -0.001 0.000 0.314 129 V C -0.602 175.384 176.094 -0.179 0.000 1.084 129 V CA -0.793 61.466 62.300 -0.069 0.000 0.963 129 V CB 2.402 34.177 31.823 -0.081 0.000 1.025 129 V HN 0.948 nan 8.190 nan 0.000 0.432 130 D N 1.122 121.330 120.400 -0.320 0.000 2.210 130 D HA 0.336 4.975 4.640 -0.001 0.000 0.249 130 D C 1.120 177.336 176.300 -0.139 0.000 1.078 130 D CA 0.036 53.805 54.000 -0.385 0.000 0.875 130 D CB 1.990 42.323 40.800 -0.779 0.000 1.175 130 D HN 0.580 nan 8.370 nan 0.000 0.440 131 T N 2.955 117.484 114.554 -0.042 0.000 2.684 131 T HA -0.135 4.214 4.350 -0.001 0.000 0.267 131 T C 1.805 176.535 174.700 0.050 0.000 1.036 131 T CA 1.032 63.196 62.100 0.107 0.000 1.148 131 T CB -0.136 68.838 68.868 0.177 0.000 0.863 131 T HN 0.446 nan 8.240 nan 0.000 0.436 132 I N 0.419 120.985 120.570 -0.007 0.000 2.296 132 I HA -0.030 4.139 4.170 -0.001 0.000 0.242 132 I C 2.460 178.567 176.117 -0.017 0.000 1.087 132 I CA 1.164 62.459 61.300 -0.008 0.000 1.393 132 I CB -0.296 37.698 38.000 -0.010 0.000 1.093 132 I HN 0.277 nan 8.210 nan 0.000 0.421 133 E N 0.780 120.950 120.200 -0.050 0.000 2.285 133 E HA 0.076 4.426 4.350 -0.001 0.000 0.194 133 E C 1.290 177.886 176.600 -0.007 0.000 0.997 133 E CA 0.537 56.925 56.400 -0.020 0.000 0.845 133 E CB 0.032 29.736 29.700 0.007 0.000 0.782 133 E HN 0.581 nan 8.360 nan 0.000 0.491 134 G N 0.846 109.626 108.800 -0.035 0.000 2.509 134 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.259 134 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.259 134 G C -0.098 174.813 174.900 0.019 0.000 1.169 134 G CA -0.185 44.912 45.100 -0.004 0.000 0.953 134 G HN 0.132 nan 8.290 nan 0.000 0.563 135 V N 1.713 121.652 119.914 0.041 0.000 2.348 135 V HA 0.445 4.564 4.120 -0.001 0.000 0.270 135 V C 1.429 177.574 176.094 0.085 0.000 1.037 135 V CA -0.217 62.123 62.300 0.066 0.000 0.872 135 V CB -0.065 31.784 31.823 0.043 0.000 1.002 135 V HN 1.354 nan 8.190 nan 0.000 0.464 136 C N 4.543 123.916 119.300 0.122 0.000 2.500 136 C HA 0.535 4.994 4.460 -0.001 0.000 0.367 136 C C 2.133 177.156 174.990 0.055 0.000 1.283 136 C CA 0.009 59.074 59.018 0.078 0.000 2.456 136 C CB 0.646 28.405 27.740 0.032 0.000 2.457 136 C HN 0.840 nan 8.230 nan 0.000 0.632 137 V N 0.065 120.006 119.914 0.045 0.000 2.324 137 V HA -0.280 3.839 4.120 -0.001 0.000 0.250 137 V C 2.455 178.565 176.094 0.028 0.000 1.060 137 V CA 2.454 64.782 62.300 0.047 0.000 1.042 137 V CB -1.616 30.236 31.823 0.048 0.000 0.650 137 V HN 1.066 nan 8.190 nan 0.000 0.450 138 Q N 0.451 120.268 119.800 0.029 0.000 2.061 138 Q HA -0.211 4.128 4.340 -0.001 0.000 0.204 138 Q C 2.328 178.319 176.000 -0.015 0.000 0.984 138 Q CA 2.761 58.566 55.803 0.003 0.000 0.846 138 Q CB -0.408 28.364 28.738 0.057 0.000 0.902 138 Q HN 0.722 nan 8.270 nan 0.000 0.421 139 T N 0.759 115.326 114.554 0.021 0.000 2.788 139 T HA -0.190 4.160 4.350 -0.001 0.000 0.268 139 T C 1.526 176.238 174.700 0.019 0.000 1.044 139 T CA 1.489 63.603 62.100 0.024 0.000 1.139 139 T CB -0.219 68.686 68.868 0.061 0.000 0.867 139 T HN 0.449 nan 8.240 nan 0.000 0.454 140 E N 0.347 120.564 120.200 0.028 0.000 2.077 140 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 140 E C 2.143 178.747 176.600 0.008 0.000 0.989 140 E CA 1.381 57.803 56.400 0.036 0.000 0.800 140 E CB -0.057 29.681 29.700 0.064 0.000 0.746 140 E HN 0.379 nan 8.360 nan 0.000 0.452 141 T N 0.388 114.912 114.554 -0.051 0.000 2.708 141 T HA -0.133 4.216 4.350 -0.001 0.000 0.266 141 T C 1.916 176.667 174.700 0.085 0.000 1.037 141 T CA 1.450 63.427 62.100 -0.206 0.000 1.146 141 T CB -0.178 68.394 68.868 -0.492 0.000 0.865 141 T HN 0.037 nan 8.240 nan 0.000 0.435 142 V N 1.524 121.417 119.914 -0.035 0.000 2.427 142 V HA -0.073 4.046 4.120 -0.001 0.000 0.248 142 V C 2.384 178.531 176.094 0.089 0.000 1.051 142 V CA 1.097 63.379 62.300 -0.029 0.000 1.048 142 V CB -0.696 31.087 31.823 -0.065 0.000 0.666 142 V HN 0.314 nan 8.190 nan 0.000 0.456 143 L N 0.649 121.912 121.223 0.068 0.000 2.046 143 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 143 L C 2.538 179.464 176.870 0.093 0.000 1.077 143 L CA 2.116 56.996 54.840 0.067 0.000 0.747 143 L CB -0.824 41.261 42.059 0.042 0.000 0.896 143 L HN 0.230 nan 8.230 nan 0.000 0.432 144 R N -0.962 119.581 120.500 0.071 0.000 2.081 144 R HA -0.197 4.143 4.340 -0.001 0.000 0.235 144 R C 2.302 178.692 176.300 0.150 0.000 1.131 144 R CA 1.965 57.988 56.100 -0.128 0.000 0.960 144 R CB -0.228 29.755 30.300 -0.528 0.000 0.856 144 R HN 0.560 nan 8.270 nan 0.000 0.436 145 Q N -0.449 119.827 119.800 0.793 0.000 2.084 145 Q HA -0.112 4.228 4.340 -0.001 0.000 0.202 145 Q C 2.152 178.319 176.000 0.278 0.000 0.978 145 Q CA 1.569 57.847 55.803 0.791 0.000 0.844 145 Q CB -0.093 28.676 28.738 0.051 0.000 0.898 145 Q HN 0.451 nan 8.270 nan 0.000 0.426 146 A N 0.945 123.872 122.820 0.179 0.000 1.883 146 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 146 A C 2.062 179.714 177.584 0.113 0.000 1.186 146 A CA 1.203 53.307 52.037 0.113 0.000 0.624 146 A CB -0.774 18.274 19.000 0.081 0.000 0.822 146 A HN 0.305 nan 8.150 nan 0.000 0.444 147 L N -0.638 120.651 121.223 0.109 0.000 2.083 147 L HA -0.146 4.194 4.340 -0.001 0.000 0.209 147 L C 2.723 179.655 176.870 0.104 0.000 1.083 147 L CA 1.011 55.911 54.840 0.100 0.000 0.752 147 L CB -0.762 41.365 42.059 0.113 0.000 0.899 147 L HN 0.507 nan 8.230 nan 0.000 0.433 148 G N -0.861 108.009 108.800 0.116 0.000 2.498 148 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.219 148 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.219 148 G C 1.333 176.293 174.900 0.099 0.000 1.119 148 G CA 0.328 45.492 45.100 0.107 0.000 0.766 148 G HN 0.281 nan 8.290 nan 0.000 0.552 149 E N -0.079 120.184 120.200 0.106 0.000 2.476 149 E HA 0.132 4.481 4.350 -0.001 0.000 0.196 149 E C 0.715 177.384 176.600 0.116 0.000 1.029 149 E CA -0.344 56.113 56.400 0.095 0.000 0.896 149 E CB 0.196 29.953 29.700 0.094 0.000 1.012 149 E HN 0.374 nan 8.360 nan 0.000 0.475 150 R N 0.341 120.912 120.500 0.118 0.000 3.651 150 R HA -0.164 4.175 4.340 -0.001 0.000 0.292 150 R C -0.164 176.248 176.300 0.188 0.000 1.161 150 R CA 0.362 56.548 56.100 0.142 0.000 0.787 150 R CB -2.238 28.186 30.300 0.207 0.000 1.249 150 R HN 0.186 nan 8.270 nan 0.000 0.476 151 I N 1.229 121.883 120.570 0.139 0.000 2.395 151 I HA 0.105 4.275 4.170 -0.001 0.000 0.289 151 I C 0.926 177.104 176.117 0.101 0.000 1.023 151 I CA -0.201 61.178 61.300 0.133 0.000 1.350 151 I CB 1.080 39.142 38.000 0.104 0.000 1.409 151 I HN 0.018 nan 8.210 nan 0.000 0.507 152 K N 8.526 128.990 120.400 0.106 0.000 2.234 152 K HA 0.418 4.737 4.320 -0.001 0.000 0.282 152 K C -2.497 174.126 176.600 0.039 0.000 1.039 152 K CA -1.394 54.932 56.287 0.065 0.000 0.928 152 K CB 1.095 33.644 32.500 0.083 0.000 1.039 152 K HN 0.255 nan 8.250 nan 0.000 0.470 153 P HA 0.285 nan 4.420 nan 0.000 0.292 153 P C -1.263 176.003 177.300 -0.057 0.000 1.300 153 P CA -0.676 62.412 63.100 -0.021 0.000 0.900 153 P CB 1.921 33.604 31.700 -0.028 0.000 1.139 154 V N 1.934 121.802 119.914 -0.077 0.000 2.841 154 V HA 0.331 4.450 4.120 -0.001 0.000 0.310 154 V C -0.191 175.811 176.094 -0.154 0.000 1.090 154 V CA -0.744 61.481 62.300 -0.125 0.000 0.930 154 V CB 2.631 34.400 31.823 -0.091 0.000 1.014 154 V HN 0.281 nan 8.190 nan 0.000 0.425 155 V N 4.634 124.412 119.914 -0.226 0.000 2.667 155 V HA 0.655 4.775 4.120 -0.001 0.000 0.308 155 V C -0.627 175.257 176.094 -0.351 0.000 1.048 155 V CA -0.616 61.527 62.300 -0.261 0.000 0.928 155 V CB 2.198 33.847 31.823 -0.290 0.000 1.004 155 V HN 0.579 nan 8.190 nan 0.000 0.444 156 V N 5.097 124.820 119.914 -0.319 0.000 2.483 156 V HA 0.472 4.591 4.120 -0.001 0.000 0.297 156 V C -0.328 175.547 176.094 -0.365 0.000 1.027 156 V CA -0.388 61.683 62.300 -0.381 0.000 0.855 156 V CB 1.821 33.483 31.823 -0.268 0.000 0.995 156 V HN 0.673 nan 8.190 nan 0.000 0.424 157 I N 4.618 124.890 120.570 -0.496 0.000 2.291 157 I HA 0.286 4.456 4.170 -0.001 0.000 0.292 157 I C 0.313 176.276 176.117 -0.256 0.000 1.064 157 I CA 0.045 61.139 61.300 -0.344 0.000 1.269 157 I CB 0.751 38.513 38.000 -0.396 0.000 1.418 157 I HN 0.601 nan 8.210 nan 0.000 0.485 158 N N 4.744 123.328 118.700 -0.192 0.000 2.447 158 N HA 0.247 4.986 4.740 -0.001 0.000 0.271 158 N C -0.056 175.379 175.510 -0.125 0.000 1.226 158 N CA -0.304 52.640 53.050 -0.177 0.000 0.980 158 N CB 0.708 39.108 38.487 -0.145 0.000 1.206 158 N HN 0.268 nan 8.380 nan 0.000 0.558 159 K N -0.568 119.754 120.400 -0.131 0.000 3.117 159 K HA -0.119 4.201 4.320 -0.001 0.000 0.269 159 K C 0.591 177.178 176.600 -0.023 0.000 1.098 159 K CA 0.636 56.876 56.287 -0.079 0.000 0.785 159 K CB -1.981 30.479 32.500 -0.066 0.000 1.242 159 K HN 0.329 nan 8.250 nan 0.000 0.491 160 V N -0.025 119.879 119.914 -0.017 0.000 2.490 160 V HA -0.319 3.800 4.120 -0.001 0.000 0.250 160 V C 2.083 178.243 176.094 0.110 0.000 1.061 160 V CA 2.267 64.655 62.300 0.147 0.000 1.064 160 V CB -0.524 31.476 31.823 0.295 0.000 0.670 160 V HN 0.685 nan 8.190 nan 0.000 0.461 161 D N 0.761 121.207 120.400 0.075 0.000 2.158 161 D HA -0.312 4.327 4.640 -0.001 0.000 0.197 161 D C 2.137 178.453 176.300 0.027 0.000 0.995 161 D CA 1.709 55.742 54.000 0.055 0.000 0.846 161 D CB -0.443 40.265 40.800 -0.154 0.000 0.941 161 D HN 0.411 nan 8.370 nan 0.000 0.456 162 R N 0.688 121.199 120.500 0.018 0.000 2.081 162 R HA -0.112 4.227 4.340 -0.001 0.000 0.235 162 R C 2.232 178.537 176.300 0.009 0.000 1.131 162 R CA 1.488 57.600 56.100 0.020 0.000 0.960 162 R CB -0.387 29.922 30.300 0.014 0.000 0.856 162 R HN 0.298 nan 8.270 nan 0.000 0.436 163 A N 0.978 123.800 122.820 0.003 0.000 1.930 163 A HA -0.072 4.248 4.320 -0.001 0.000 0.217 163 A C 2.174 179.720 177.584 -0.065 0.000 1.175 163 A CA 1.058 53.087 52.037 -0.013 0.000 0.627 163 A CB -0.353 18.648 19.000 0.002 0.000 0.815 163 A HN 0.338 nan 8.150 nan 0.000 0.443 164 L N -1.328 119.810 121.223 -0.140 0.000 2.044 164 L HA -0.112 4.228 4.340 -0.001 0.000 0.205 164 L C 2.389 179.181 176.870 -0.131 0.000 1.075 164 L CA 0.618 55.277 54.840 -0.303 0.000 0.747 164 L CB -0.571 41.103 42.059 -0.640 0.000 0.903 164 L HN 0.267 nan 8.230 nan 0.000 0.435 165 L N -0.340 120.875 121.223 -0.013 0.000 2.013 165 L HA -0.063 4.276 4.340 -0.001 0.000 0.204 165 L C 2.469 179.361 176.870 0.036 0.000 1.081 165 L CA 1.525 56.399 54.840 0.056 0.000 0.751 165 L CB -0.919 41.211 42.059 0.118 0.000 0.901 165 L HN 0.133 nan 8.230 nan 0.000 0.440 166 E N -0.310 119.910 120.200 0.034 0.000 2.000 166 E HA -0.234 4.116 4.350 -0.001 0.000 0.199 166 E C 1.953 178.566 176.600 0.020 0.000 1.011 166 E CA 1.384 57.802 56.400 0.030 0.000 0.836 166 E CB -0.350 29.367 29.700 0.028 0.000 0.778 166 E HN 0.159 nan 8.360 nan 0.000 0.462 167 L N 0.760 121.990 121.223 0.012 0.000 2.465 167 L HA -0.070 4.270 4.340 -0.001 0.000 0.224 167 L C 0.501 177.378 176.870 0.011 0.000 1.145 167 L CA 0.974 55.821 54.840 0.011 0.000 0.834 167 L CB -0.683 41.382 42.059 0.009 0.000 0.944 167 L HN 0.160 nan 8.230 nan 0.000 0.451 168 Q N -0.809 118.989 119.800 -0.002 0.000 2.434 168 Q HA -0.192 4.147 4.340 -0.001 0.000 0.299 168 Q C -0.077 175.941 176.000 0.030 0.000 1.286 168 Q CA 0.003 55.805 55.803 -0.001 0.000 0.872 168 Q CB -2.056 26.693 28.738 0.019 0.000 1.193 168 Q HN 0.278 nan 8.270 nan 0.000 0.466 169 V N 0.848 120.780 119.914 0.029 0.000 3.139 169 V HA 0.104 4.223 4.120 -0.001 0.000 0.307 169 V C 1.188 177.394 176.094 0.187 0.000 1.095 169 V CA 0.516 62.861 62.300 0.075 0.000 1.160 169 V CB 1.410 33.263 31.823 0.050 0.000 1.003 169 V HN 0.517 nan 8.190 nan 0.000 0.489 170 S N 2.850 118.634 115.700 0.141 0.000 2.652 170 S HA 0.332 4.802 4.470 -0.001 0.000 0.270 170 S C 0.752 175.387 174.600 0.059 0.000 1.243 170 S CA -0.638 57.638 58.200 0.126 0.000 0.999 170 S CB 0.995 64.215 63.200 0.033 0.000 0.973 170 S HN 0.614 nan 8.310 nan 0.000 0.544 171 K N 0.448 120.714 120.400 -0.224 0.000 2.032 171 K HA -0.159 4.160 4.320 -0.001 0.000 0.209 171 K C 2.075 178.614 176.600 -0.101 0.000 1.048 171 K CA 1.775 57.821 56.287 -0.401 0.000 0.927 171 K CB -0.279 31.829 32.500 -0.653 0.000 0.712 171 K HN 0.736 nan 8.250 nan 0.000 0.441 172 E N 1.386 121.549 120.200 -0.062 0.000 2.106 172 E HA -0.168 4.182 4.350 -0.001 0.000 0.192 172 E C 1.394 178.036 176.600 0.071 0.000 0.984 172 E CA 1.472 57.891 56.400 0.032 0.000 0.806 172 E CB -0.055 29.650 29.700 0.008 0.000 0.750 172 E HN 0.180 nan 8.360 nan 0.000 0.458 173 D N -0.108 120.307 120.400 0.024 0.000 2.117 173 D HA -0.144 4.495 4.640 -0.001 0.000 0.198 173 D C 1.933 178.206 176.300 -0.046 0.000 0.982 173 D CA 0.735 54.739 54.000 0.006 0.000 0.828 173 D CB -0.245 40.560 40.800 0.009 0.000 0.967 173 D HN 0.208 nan 8.370 nan 0.000 0.464 174 L N 0.414 121.599 121.223 -0.063 0.000 2.017 174 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 174 L C 2.315 178.931 176.870 -0.423 0.000 1.073 174 L CA 1.505 56.186 54.840 -0.265 0.000 0.745 174 L CB -1.023 40.943 42.059 -0.156 0.000 0.894 174 L HN 0.020 nan 8.230 nan 0.000 0.432 175 Y N 0.015 120.201 120.300 -0.190 0.000 2.097 175 Y HA -0.307 4.242 4.550 -0.001 0.000 0.282 175 Y C 2.542 178.405 175.900 -0.062 0.000 1.152 175 Y CA 2.190 60.251 58.100 -0.065 0.000 1.136 175 Y CB -0.416 38.030 38.460 -0.023 0.000 0.975 175 Y HN 0.308 nan 8.280 nan 0.000 0.498 176 Q N -0.263 119.420 119.800 -0.195 0.000 2.135 176 Q HA -0.164 4.175 4.340 -0.001 0.000 0.204 176 Q C 2.256 178.155 176.000 -0.167 0.000 0.981 176 Q CA 2.193 57.862 55.803 -0.224 0.000 0.856 176 Q CB -0.929 27.788 28.738 -0.036 0.000 0.902 176 Q HN 0.541 nan 8.270 nan 0.000 0.425 177 T N 1.119 115.595 114.554 -0.130 0.000 2.746 177 T HA -0.096 4.253 4.350 -0.001 0.000 0.267 177 T C 1.558 176.318 174.700 0.099 0.000 1.039 177 T CA 0.959 63.032 62.100 -0.046 0.000 1.142 177 T CB -0.258 68.563 68.868 -0.078 0.000 0.866 177 T HN 0.101 nan 8.240 nan 0.000 0.444 178 F N 1.929 121.899 119.950 0.034 0.000 2.095 178 F HA 0.014 4.541 4.527 -0.001 0.000 0.298 178 F C 2.752 178.601 175.800 0.082 0.000 1.104 178 F CA 0.290 58.375 58.000 0.141 0.000 1.232 178 F CB -1.548 37.647 39.000 0.325 0.000 0.987 178 F HN 0.157 nan 8.300 nan 0.000 0.475 179 A N 0.148 123.035 122.820 0.113 0.000 1.908 179 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 179 A C 2.420 180.032 177.584 0.047 0.000 1.181 179 A CA 1.673 53.734 52.037 0.040 0.000 0.627 179 A CB -0.681 18.123 19.000 -0.327 0.000 0.818 179 A HN 0.315 nan 8.150 nan 0.000 0.445 180 R N -1.147 119.363 120.500 0.015 0.000 2.075 180 R HA -0.081 4.258 4.340 -0.001 0.000 0.232 180 R C 2.271 178.592 176.300 0.036 0.000 1.126 180 R CA 1.751 57.864 56.100 0.022 0.000 0.963 180 R CB -0.789 29.519 30.300 0.013 0.000 0.858 180 R HN 0.526 nan 8.270 nan 0.000 0.435 181 T N 0.888 115.480 114.554 0.063 0.000 2.746 181 T HA -0.090 4.259 4.350 -0.001 0.000 0.267 181 T C 1.991 176.692 174.700 0.002 0.000 1.039 181 T CA 1.224 63.350 62.100 0.044 0.000 1.142 181 T CB -0.125 68.790 68.868 0.078 0.000 0.866 181 T HN -0.003 nan 8.240 nan 0.000 0.444 182 V N 1.395 121.314 119.914 0.008 0.000 2.407 182 V HA -0.109 4.010 4.120 -0.001 0.000 0.248 182 V C 2.719 178.781 176.094 -0.054 0.000 1.055 182 V CA 1.436 63.701 62.300 -0.058 0.000 1.049 182 V CB -0.453 31.344 31.823 -0.044 0.000 0.662 182 V HN 0.377 nan 8.190 nan 0.000 0.455 183 E N 0.349 120.545 120.200 -0.008 0.000 2.047 183 E HA -0.145 4.205 4.350 -0.001 0.000 0.191 183 E C 2.504 179.095 176.600 -0.016 0.000 0.987 183 E CA 1.560 57.955 56.400 -0.010 0.000 0.799 183 E CB -0.232 29.477 29.700 0.015 0.000 0.752 183 E HN 0.583 nan 8.360 nan 0.000 0.449 184 S N 0.205 115.903 115.700 -0.004 0.000 2.370 184 S HA -0.133 4.337 4.470 -0.001 0.000 0.226 184 S C 2.185 176.782 174.600 -0.004 0.000 1.033 184 S CA 1.178 59.380 58.200 0.004 0.000 1.011 184 S CB -0.241 62.967 63.200 0.014 0.000 0.852 184 S HN 0.082 nan 8.310 nan 0.000 0.457 185 V N 2.921 122.818 119.914 -0.028 0.000 2.358 185 V HA -0.142 3.978 4.120 -0.001 0.000 0.246 185 V C 2.003 178.067 176.094 -0.049 0.000 1.047 185 V CA 1.503 63.778 62.300 -0.041 0.000 1.035 185 V CB -0.677 31.096 31.823 -0.084 0.000 0.658 185 V HN 0.448 nan 8.190 nan 0.000 0.452 186 N N -0.080 118.572 118.700 -0.080 0.000 2.453 186 N HA -0.073 4.666 4.740 -0.001 0.000 0.183 186 N C 1.673 177.152 175.510 -0.051 0.000 1.041 186 N CA 0.831 53.824 53.050 -0.096 0.000 0.900 186 N CB -0.096 38.300 38.487 -0.152 0.000 0.961 186 N HN 0.347 nan 8.380 nan 0.000 0.443 187 V N 1.550 121.448 119.914 -0.027 0.000 2.307 187 V HA -0.153 3.967 4.120 -0.001 0.000 0.245 187 V C 2.233 178.324 176.094 -0.005 0.000 1.045 187 V CA 1.154 63.444 62.300 -0.017 0.000 1.024 187 V CB -0.286 31.538 31.823 0.000 0.000 0.651 187 V HN 0.183 nan 8.190 nan 0.000 0.449 188 I N -0.469 120.127 120.570 0.043 0.000 2.179 188 I HA -0.214 3.955 4.170 -0.001 0.000 0.242 188 I C 2.378 178.579 176.117 0.140 0.000 1.088 188 I CA 1.275 62.658 61.300 0.138 0.000 1.357 188 I CB -0.501 37.586 38.000 0.145 0.000 1.051 188 I HN 0.136 nan 8.210 nan 0.000 0.409 189 V N 0.993 120.941 119.914 0.056 0.000 2.295 189 V HA -0.280 3.839 4.120 -0.001 0.000 0.246 189 V C 2.649 178.746 176.094 0.004 0.000 1.049 189 V CA 2.331 64.652 62.300 0.035 0.000 1.024 189 V CB -0.861 30.948 31.823 -0.024 0.000 0.648 189 V HN 0.614 nan 8.190 nan 0.000 0.447 190 S N -0.850 114.830 115.700 -0.034 0.000 2.442 190 S HA -0.194 4.276 4.470 -0.001 0.000 0.236 190 S C 1.820 176.359 174.600 -0.102 0.000 1.007 190 S CA 1.789 59.956 58.200 -0.054 0.000 0.965 190 S CB -0.605 62.565 63.200 -0.050 0.000 0.773 190 S HN 0.594 nan 8.310 nan 0.000 0.504 191 T N 0.540 114.995 114.554 -0.166 0.000 2.851 191 T HA 0.115 4.465 4.350 -0.001 0.000 0.262 191 T C 0.843 175.234 174.700 -0.516 0.000 1.043 191 T CA 1.074 62.939 62.100 -0.392 0.000 1.140 191 T CB -0.314 68.189 68.868 -0.610 0.000 0.872 191 T HN 0.605 nan 8.240 nan 0.000 0.446 192 Y N 0.803 121.080 120.300 -0.038 0.000 2.444 192 Y HA 0.617 5.166 4.550 -0.001 0.000 0.249 192 Y C 1.137 177.019 175.900 -0.030 0.000 1.134 192 Y CA -1.148 56.927 58.100 -0.042 0.000 1.261 192 Y CB 0.013 38.448 38.460 -0.043 0.000 1.143 192 Y HN 0.088 nan 8.280 nan 0.000 0.523 193 A N 0.349 123.215 122.820 0.075 0.000 2.388 193 A HA 0.277 4.597 4.320 -0.001 0.000 0.257 193 A C -0.507 177.079 177.584 0.004 0.000 1.095 193 A CA -0.538 51.521 52.037 0.038 0.000 0.791 193 A CB -0.030 18.976 19.000 0.010 0.000 1.029 193 A HN 0.191 nan 8.150 nan 0.000 0.489 194 D N 1.330 121.727 120.400 -0.004 0.000 2.389 194 D HA 0.222 4.862 4.640 -0.001 0.000 0.247 194 D C 1.101 177.378 176.300 -0.038 0.000 1.128 194 D CA 0.239 54.228 54.000 -0.018 0.000 0.884 194 D CB 0.771 41.560 40.800 -0.017 0.000 1.194 194 D HN 0.653 nan 8.370 nan 0.000 0.441 195 E N 0.860 121.041 120.200 -0.033 0.000 2.085 195 E HA -0.157 4.192 4.350 -0.001 0.000 0.194 195 E C 1.930 178.505 176.600 -0.041 0.000 0.994 195 E CA 0.759 57.139 56.400 -0.034 0.000 0.801 195 E CB 0.024 29.707 29.700 -0.027 0.000 0.743 195 E HN 0.245 nan 8.360 nan 0.000 0.453 196 V N 1.305 121.194 119.914 -0.041 0.000 2.527 196 V HA -0.257 3.862 4.120 -0.001 0.000 0.255 196 V C 1.988 178.031 176.094 -0.086 0.000 1.081 196 V CA 1.338 63.611 62.300 -0.045 0.000 1.092 196 V CB -0.467 31.340 31.823 -0.028 0.000 0.673 196 V HN 0.208 nan 8.190 nan 0.000 0.470 197 L N -0.275 120.871 121.223 -0.127 0.000 2.395 197 L HA 0.356 4.695 4.340 -0.001 0.000 0.218 197 L C 1.436 178.232 176.870 -0.124 0.000 1.130 197 L CA 1.465 56.182 54.840 -0.205 0.000 0.826 197 L CB -1.253 40.654 42.059 -0.253 0.000 0.941 197 L HN 0.512 nan 8.230 nan 0.000 0.451 198 G N -0.688 108.070 108.800 -0.070 0.000 2.568 198 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.222 198 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.222 198 G C -0.568 174.321 174.900 -0.019 0.000 1.321 198 G CA -0.183 44.895 45.100 -0.036 0.000 0.893 198 G HN 0.167 nan 8.290 nan 0.000 0.569 199 D N -0.033 120.373 120.400 0.010 0.000 2.336 199 D HA 0.388 5.027 4.640 -0.001 0.000 0.249 199 D C 1.014 177.343 176.300 0.047 0.000 1.213 199 D CA 0.614 54.642 54.000 0.046 0.000 0.870 199 D CB 1.300 42.160 40.800 0.099 0.000 1.076 199 D HN 0.877 nan 8.370 nan 0.000 0.483 200 V N 4.170 124.093 119.914 0.015 0.000 3.578 200 V HA 0.126 4.245 4.120 -0.001 0.000 0.290 200 V C 0.715 176.790 176.094 -0.031 0.000 1.376 200 V CA 0.094 62.392 62.300 -0.004 0.000 1.083 200 V CB -0.389 31.419 31.823 -0.024 0.000 0.911 200 V HN 0.524 nan 8.190 nan 0.000 0.433 201 Q N 0.336 120.109 119.800 -0.046 0.000 2.474 201 Q HA 0.254 4.594 4.340 -0.001 0.000 0.256 201 Q C -0.465 175.327 176.000 -0.347 0.000 1.048 201 Q CA 0.160 55.834 55.803 -0.216 0.000 0.922 201 Q CB 1.496 30.045 28.738 -0.315 0.000 1.288 201 Q HN 0.355 nan 8.270 nan 0.000 0.484 202 V N 2.134 121.767 119.914 -0.468 0.000 2.539 202 V HA 0.285 4.404 4.120 -0.001 0.000 0.292 202 V C -1.067 174.632 176.094 -0.658 0.000 1.045 202 V CA -0.458 61.587 62.300 -0.425 0.000 0.945 202 V CB 0.584 32.219 31.823 -0.313 0.000 0.993 202 V HN 0.566 nan 8.190 nan 0.000 0.464 203 Y N 4.328 124.502 120.300 -0.210 0.000 2.329 203 Y HA 0.366 4.915 4.550 -0.001 0.000 0.328 203 Y C -1.966 173.737 175.900 -0.329 0.000 0.992 203 Y CA -2.015 55.956 58.100 -0.215 0.000 1.151 203 Y CB 1.991 40.379 38.460 -0.121 0.000 1.150 203 Y HN 0.422 nan 8.280 nan 0.000 0.450 204 P HA -0.239 nan 4.420 nan 0.000 0.216 204 P C 1.285 178.437 177.300 -0.247 0.000 1.153 204 P CA 2.377 65.146 63.100 -0.553 0.000 0.858 204 P CB 0.322 31.157 31.700 -1.442 0.000 0.789 205 A N -0.560 122.164 122.820 -0.159 0.000 2.172 205 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 205 A C 1.919 179.530 177.584 0.044 0.000 1.154 205 A CA 1.155 53.231 52.037 0.064 0.000 0.701 205 A CB -0.829 18.277 19.000 0.177 0.000 0.789 205 A HN 0.158 nan 8.150 nan 0.000 0.465 206 R N -1.680 118.825 120.500 0.007 0.000 2.362 206 R HA 0.269 4.609 4.340 -0.001 0.000 0.227 206 R C 1.100 177.381 176.300 -0.031 0.000 0.905 206 R CA 0.466 56.568 56.100 0.004 0.000 1.067 206 R CB 0.207 30.503 30.300 -0.007 0.000 1.078 206 R HN 0.583 nan 8.270 nan 0.000 0.516 207 G N 1.311 110.082 108.800 -0.049 0.000 2.143 207 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.249 207 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.249 207 G C 0.715 175.463 174.900 -0.254 0.000 0.981 207 G CA 0.796 45.873 45.100 -0.039 0.000 0.665 207 G HN 0.424 nan 8.290 nan 0.000 0.528 208 T N -2.466 111.854 114.554 -0.389 0.000 3.186 208 T HA 0.588 4.938 4.350 -0.001 0.000 0.257 208 T C 0.269 174.758 174.700 -0.353 0.000 1.029 208 T CA 0.318 62.161 62.100 -0.429 0.000 0.916 208 T CB 1.083 69.685 68.868 -0.442 0.000 1.041 208 T HN 0.799 nan 8.240 nan 0.000 0.562 209 V N 1.160 120.839 119.914 -0.392 0.000 2.623 209 V HA 0.816 4.935 4.120 -0.001 0.000 0.304 209 V C -0.165 175.495 176.094 -0.723 0.000 1.054 209 V CA -1.187 60.757 62.300 -0.593 0.000 0.882 209 V CB 1.409 32.789 31.823 -0.739 0.000 1.002 209 V HN 0.595 nan 8.190 nan 0.000 0.424 210 A N 4.316 126.656 122.820 -0.799 0.000 2.322 210 A HA 1.020 5.340 4.320 -0.001 0.000 0.327 210 A C -1.311 175.574 177.584 -1.165 0.000 1.134 210 A CA -0.465 51.135 52.037 -0.728 0.000 0.831 210 A CB 1.242 20.006 19.000 -0.393 0.000 1.288 210 A HN 0.657 nan 8.150 nan 0.000 0.472 211 F N -0.248 119.247 119.950 -0.758 0.000 2.561 211 F HA 0.716 5.243 4.527 -0.001 0.000 0.313 211 F C 0.682 176.094 175.800 -0.647 0.000 1.126 211 F CA 0.263 57.779 58.000 -0.806 0.000 0.918 211 F CB 2.688 41.054 39.000 -1.056 0.000 1.199 211 F HN 1.026 nan 8.300 nan 0.000 0.444 212 G N 0.424 108.983 108.800 -0.403 0.000 2.348 212 G HA2 0.448 4.408 3.960 -0.001 0.000 0.296 212 G HA3 0.448 4.408 3.960 -0.001 0.000 0.296 212 G C -1.882 172.515 174.900 -0.838 0.000 1.258 212 G CA -0.758 43.851 45.100 -0.819 0.000 0.868 212 G HN 0.646 nan 8.290 nan 0.000 0.488 213 S N -0.709 114.341 115.700 -1.083 0.000 2.789 213 S HA 0.544 5.014 4.470 -0.001 0.000 0.286 213 S C 1.291 175.695 174.600 -0.326 0.000 1.153 213 S CA 0.732 58.566 58.200 -0.609 0.000 1.084 213 S CB 0.771 63.626 63.200 -0.575 0.000 1.036 213 S HN 1.730 nan 8.310 nan 0.000 0.484 214 G N 3.727 112.420 108.800 -0.179 0.000 2.459 214 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.217 214 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.217 214 G C 1.213 176.116 174.900 0.006 0.000 1.183 214 G CA 1.164 46.218 45.100 -0.077 0.000 0.776 214 G HN 0.652 nan 8.290 nan 0.000 0.552 215 L N -0.064 121.186 121.223 0.045 0.000 2.017 215 L HA -0.018 4.321 4.340 -0.001 0.000 0.208 215 L C 2.594 179.576 176.870 0.187 0.000 1.073 215 L CA 2.143 57.047 54.840 0.106 0.000 0.745 215 L CB -0.790 41.343 42.059 0.123 0.000 0.894 215 L HN 0.298 nan 8.230 nan 0.000 0.432 216 H N -0.082 119.041 119.070 0.088 0.000 2.319 216 H HA 0.088 4.643 4.556 -0.001 0.000 0.299 216 H C 1.498 176.952 175.328 0.211 0.000 1.092 216 H CA 1.260 57.431 56.048 0.206 0.000 1.302 216 H CB -0.312 29.702 29.762 0.420 0.000 1.373 216 H HN 0.479 nan 8.280 nan 0.000 0.497 217 G N -1.804 107.149 108.800 0.254 0.000 2.145 217 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.176 217 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.176 217 G C -0.229 174.845 174.900 0.290 0.000 1.013 217 G CA 0.091 45.308 45.100 0.195 0.000 0.689 217 G HN 0.479 nan 8.290 nan 0.000 0.506 218 W N -0.801 120.609 121.300 0.183 0.000 3.033 218 W HA 0.868 5.527 4.660 -0.001 0.000 0.336 218 W C -0.332 176.292 176.519 0.174 0.000 1.173 218 W CA -1.387 56.069 57.345 0.185 0.000 1.185 218 W CB 1.396 31.013 29.460 0.262 0.000 1.425 218 W HN 1.205 nan 8.180 nan 0.000 0.536 219 A N 2.565 125.594 122.820 0.349 0.000 2.583 219 A HA 0.836 5.155 4.320 -0.001 0.000 0.292 219 A C -2.099 175.691 177.584 0.343 0.000 1.045 219 A CA -0.721 51.399 52.037 0.139 0.000 0.672 219 A CB 1.268 20.213 19.000 -0.091 0.000 1.283 219 A HN 1.235 nan 8.150 nan 0.000 0.419 220 F N -1.002 119.098 119.950 0.250 0.000 2.686 220 F HA 0.889 5.416 4.527 -0.001 0.000 0.311 220 F C -0.203 175.762 175.800 0.275 0.000 1.128 220 F CA -0.140 58.000 58.000 0.233 0.000 0.946 220 F CB 1.267 40.484 39.000 0.361 0.000 1.336 220 F HN 0.951 nan 8.300 nan 0.000 0.457 221 T N -0.676 114.150 114.554 0.453 0.000 2.942 221 T HA 0.483 4.832 4.350 -0.001 0.000 0.289 221 T C 0.635 175.703 174.700 0.614 0.000 1.044 221 T CA -0.820 61.492 62.100 0.352 0.000 1.023 221 T CB 1.564 70.519 68.868 0.145 0.000 1.123 221 T HN 0.644 nan 8.240 nan 0.000 0.512 222 I N 0.262 121.135 120.570 0.506 0.000 2.394 222 I HA -0.029 4.141 4.170 -0.001 0.000 0.251 222 I C 2.638 178.943 176.117 0.314 0.000 1.136 222 I CA 1.135 62.730 61.300 0.492 0.000 1.425 222 I CB -1.058 37.169 38.000 0.377 0.000 1.079 222 I HN 0.814 nan 8.210 nan 0.000 0.425 223 R N 1.069 121.696 120.500 0.213 0.000 2.096 223 R HA -0.194 4.146 4.340 -0.001 0.000 0.235 223 R C 2.221 178.565 176.300 0.073 0.000 1.127 223 R CA 1.430 57.605 56.100 0.124 0.000 0.968 223 R CB 0.001 30.360 30.300 0.098 0.000 0.861 223 R HN 0.442 nan 8.270 nan 0.000 0.440 224 Q N -0.894 118.944 119.800 0.063 0.000 2.084 224 Q HA -0.157 4.183 4.340 -0.001 0.000 0.202 224 Q C 1.832 177.691 176.000 -0.234 0.000 0.978 224 Q CA 1.572 57.320 55.803 -0.092 0.000 0.844 224 Q CB -0.055 28.599 28.738 -0.140 0.000 0.898 224 Q HN 0.312 nan 8.270 nan 0.000 0.426 225 F N 0.222 120.104 119.950 -0.114 0.000 2.259 225 F HA -0.043 4.483 4.527 -0.001 0.000 0.298 225 F C 2.286 177.884 175.800 -0.336 0.000 1.088 225 F CA 0.878 58.659 58.000 -0.365 0.000 1.358 225 F CB -0.395 38.417 39.000 -0.314 0.000 1.040 225 F HN 0.038 nan 8.300 nan 0.000 0.505 226 A N -0.698 122.163 122.820 0.068 0.000 1.933 226 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 226 A C 2.243 179.840 177.584 0.021 0.000 1.175 226 A CA 2.267 54.341 52.037 0.061 0.000 0.628 226 A CB -1.225 17.819 19.000 0.074 0.000 0.814 226 A HN 0.319 nan 8.150 nan 0.000 0.444 227 T N -0.992 113.551 114.554 -0.018 0.000 2.777 227 T HA -0.101 4.249 4.350 -0.001 0.000 0.266 227 T C 2.049 176.731 174.700 -0.029 0.000 1.040 227 T CA 1.347 63.435 62.100 -0.021 0.000 1.141 227 T CB -0.195 68.649 68.868 -0.039 0.000 0.868 227 T HN 0.548 nan 8.240 nan 0.000 0.444 228 R N -0.378 120.046 120.500 -0.127 0.000 2.148 228 R HA -0.077 4.262 4.340 -0.001 0.000 0.227 228 R C 1.079 177.439 176.300 0.099 0.000 1.103 228 R CA 1.275 57.300 56.100 -0.125 0.000 0.983 228 R CB -0.001 30.078 30.300 -0.367 0.000 0.874 228 R HN 0.416 nan 8.270 nan 0.000 0.451 229 Y N -1.640 118.742 120.300 0.138 0.000 2.453 229 Y HA 0.400 4.950 4.550 -0.001 0.000 0.247 229 Y C 1.787 177.795 175.900 0.180 0.000 1.124 229 Y CA -0.578 57.630 58.100 0.181 0.000 1.243 229 Y CB -0.273 38.337 38.460 0.251 0.000 1.213 229 Y HN 0.051 nan 8.280 nan 0.000 0.523 230 A N 1.069 124.025 122.820 0.227 0.000 1.892 230 A HA -0.236 4.084 4.320 -0.001 0.000 0.218 230 A C 2.208 179.876 177.584 0.139 0.000 1.188 230 A CA 2.037 54.159 52.037 0.141 0.000 0.631 230 A CB -0.408 18.633 19.000 0.069 0.000 0.822 230 A HN 0.351 nan 8.150 nan 0.000 0.447 231 K N -0.499 119.970 120.400 0.115 0.000 2.217 231 K HA -0.056 4.263 4.320 -0.001 0.000 0.202 231 K C 1.959 178.598 176.600 0.064 0.000 1.051 231 K CA 1.238 57.572 56.287 0.079 0.000 0.952 231 K CB -0.104 32.430 32.500 0.058 0.000 0.736 231 K HN 0.438 nan 8.250 nan 0.000 0.453 232 K N -0.133 120.312 120.400 0.075 0.000 2.155 232 K HA -0.051 4.268 4.320 -0.001 0.000 0.203 232 K C 1.429 177.915 176.600 -0.191 0.000 1.052 232 K CA 1.063 57.312 56.287 -0.064 0.000 0.948 232 K CB 0.031 32.469 32.500 -0.103 0.000 0.728 232 K HN 0.043 nan 8.250 nan 0.000 0.448 233 F N 0.112 120.042 119.950 -0.034 0.000 2.765 233 F HA 0.176 4.702 4.527 -0.001 0.000 0.302 233 F C 1.148 176.949 175.800 0.001 0.000 1.111 233 F CA 0.314 58.290 58.000 -0.040 0.000 1.359 233 F CB 0.686 39.646 39.000 -0.067 0.000 1.097 233 F HN 0.118 nan 8.300 nan 0.000 0.577 234 G N 1.488 110.371 108.800 0.139 0.000 2.272 234 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.280 234 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.280 234 G C -0.418 174.535 174.900 0.087 0.000 1.067 234 G CA 0.268 45.424 45.100 0.094 0.000 0.902 234 G HN 0.209 nan 8.290 nan 0.000 0.500 235 V N -0.355 119.606 119.914 0.079 0.000 3.078 235 V HA 0.586 4.705 4.120 -0.001 0.000 0.311 235 V C 0.007 176.105 176.094 0.007 0.000 1.138 235 V CA -0.552 61.760 62.300 0.020 0.000 1.007 235 V CB 2.249 34.046 31.823 -0.044 0.000 1.045 235 V HN 0.570 nan 8.190 nan 0.000 0.432 236 D N 1.011 121.403 120.400 -0.013 0.000 2.382 236 D HA 0.161 4.801 4.640 -0.001 0.000 0.245 236 D C 1.016 177.303 176.300 -0.022 0.000 1.120 236 D CA -0.475 53.520 54.000 -0.009 0.000 0.890 236 D CB 0.753 41.547 40.800 -0.010 0.000 1.201 236 D HN 0.684 nan 8.370 nan 0.000 0.433 237 K N 1.521 121.918 120.400 -0.004 0.000 2.281 237 K HA -0.227 4.092 4.320 -0.001 0.000 0.203 237 K C 1.766 178.358 176.600 -0.013 0.000 1.046 237 K CA 1.094 57.379 56.287 -0.004 0.000 0.938 237 K CB -0.353 32.155 32.500 0.013 0.000 0.737 237 K HN 0.407 nan 8.250 nan 0.000 0.458 238 A N 2.134 124.944 122.820 -0.016 0.000 1.902 238 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 238 A C 2.200 179.760 177.584 -0.040 0.000 1.181 238 A CA 1.935 53.963 52.037 -0.015 0.000 0.623 238 A CB -0.435 18.556 19.000 -0.014 0.000 0.818 238 A HN 0.303 nan 8.150 nan 0.000 0.443 239 K N -1.070 119.287 120.400 -0.072 0.000 2.103 239 K HA 0.003 4.322 4.320 -0.001 0.000 0.204 239 K C 1.913 178.395 176.600 -0.197 0.000 1.052 239 K CA 1.354 57.564 56.287 -0.129 0.000 0.945 239 K CB -0.303 32.106 32.500 -0.152 0.000 0.722 239 K HN 0.298 nan 8.250 nan 0.000 0.443 240 M N 0.714 120.208 119.600 -0.178 0.000 2.132 240 M HA -0.087 4.393 4.480 -0.001 0.000 0.263 240 M C 2.016 178.266 176.300 -0.084 0.000 1.065 240 M CA 1.643 56.818 55.300 -0.208 0.000 1.122 240 M CB -0.849 31.684 32.600 -0.111 0.000 1.365 240 M HN 0.345 nan 8.290 nan 0.000 0.411 241 M N -1.999 117.600 119.600 -0.003 0.000 2.374 241 M HA -0.109 4.371 4.480 -0.001 0.000 0.264 241 M C 0.867 177.228 176.300 0.101 0.000 1.067 241 M CA 1.392 56.741 55.300 0.082 0.000 1.103 241 M CB -0.823 31.833 32.600 0.094 0.000 1.402 241 M HN 0.026 nan 8.290 nan 0.000 0.444 242 D N 1.456 121.875 120.400 0.032 0.000 2.194 242 D HA -0.016 4.623 4.640 -0.001 0.000 0.204 242 D C 2.034 178.367 176.300 0.055 0.000 0.964 242 D CA 0.953 54.987 54.000 0.057 0.000 0.846 242 D CB -0.103 40.699 40.800 0.004 0.000 0.962 242 D HN 0.505 nan 8.370 nan 0.000 0.490 243 R N 0.050 120.514 120.500 -0.059 0.000 2.240 243 R HA 0.156 4.495 4.340 -0.001 0.000 0.203 243 R C 1.784 178.150 176.300 0.110 0.000 1.011 243 R CA 0.161 56.207 56.100 -0.090 0.000 1.007 243 R CB 0.164 30.099 30.300 -0.608 0.000 0.911 243 R HN 0.137 nan 8.270 nan 0.000 0.468 244 L N -0.102 121.228 121.223 0.179 0.000 2.627 244 L HA 0.153 4.492 4.340 -0.001 0.000 0.232 244 L C 0.172 177.360 176.870 0.529 0.000 1.150 244 L CA -0.115 54.929 54.840 0.340 0.000 0.917 244 L CB 0.031 42.291 42.059 0.335 0.000 1.104 244 L HN 0.253 nan 8.230 nan 0.000 0.445 245 W N -0.136 121.265 121.300 0.168 0.000 3.167 245 W HA 0.440 5.099 4.660 -0.001 0.000 0.324 245 W C 0.372 176.920 176.519 0.048 0.000 1.230 245 W CA 0.192 57.609 57.345 0.121 0.000 1.184 245 W CB 1.708 31.249 29.460 0.136 0.000 1.414 245 W HN 0.069 nan 8.180 nan 0.000 0.551 246 G N 3.316 111.478 108.800 -1.063 0.000 2.562 246 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.250 246 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.250 246 G C -0.448 174.168 174.900 -0.473 0.000 1.269 246 G CA 0.291 45.008 45.100 -0.638 0.000 0.919 246 G HN 0.494 nan 8.290 nan 0.000 0.574 247 D N 1.678 121.944 120.400 -0.224 0.000 2.688 247 D HA 0.483 5.122 4.640 -0.001 0.000 0.228 247 D C 0.032 176.249 176.300 -0.138 0.000 1.116 247 D CA 0.632 54.533 54.000 -0.164 0.000 1.023 247 D CB 0.263 41.161 40.800 0.163 0.000 1.100 247 D HN 0.414 nan 8.370 nan 0.000 0.487 248 S N 0.742 116.175 115.700 -0.446 0.000 2.502 248 S HA 0.593 5.062 4.470 -0.001 0.000 0.304 248 S C -0.672 173.702 174.600 -0.376 0.000 1.097 248 S CA -0.625 57.521 58.200 -0.091 0.000 1.045 248 S CB 0.983 64.242 63.200 0.097 0.000 1.019 248 S HN 0.108 nan 8.310 nan 0.000 0.481 249 F N 2.525 122.594 119.950 0.199 0.000 2.539 249 F HA 0.487 5.013 4.527 -0.001 0.000 0.318 249 F C -0.608 175.187 175.800 -0.009 0.000 1.135 249 F CA -0.893 57.150 58.000 0.071 0.000 0.915 249 F CB 1.208 40.195 39.000 -0.021 0.000 1.176 249 F HN 0.526 nan 8.300 nan 0.000 0.440 250 F N 4.487 124.298 119.950 -0.232 0.000 2.385 250 F HA 0.423 4.949 4.527 -0.001 0.000 0.360 250 F C -0.197 175.426 175.800 -0.296 0.000 1.122 250 F CA -0.702 56.895 58.000 -0.671 0.000 1.090 250 F CB 0.533 38.859 39.000 -1.124 0.000 1.150 250 F HN 0.387 nan 8.300 nan 0.000 0.472 251 N N 8.502 126.699 118.700 -0.838 0.000 2.437 251 N HA 0.280 5.020 4.740 -0.001 0.000 0.243 251 N C -2.117 172.892 175.510 -0.836 0.000 1.041 251 N CA -2.344 50.349 53.050 -0.595 0.000 0.940 251 N CB 1.612 39.876 38.487 -0.371 0.000 1.133 251 N HN 0.311 nan 8.380 nan 0.000 0.506 252 P HA -0.116 nan 4.420 nan 0.000 0.218 252 P C 0.719 177.894 177.300 -0.209 0.000 1.148 252 P CA 1.498 64.437 63.100 -0.267 0.000 0.822 252 P CB 0.407 32.087 31.700 -0.033 0.000 0.784 253 K N -1.000 119.282 120.400 -0.197 0.000 2.097 253 K HA -0.067 4.252 4.320 -0.001 0.000 0.205 253 K C 1.903 178.420 176.600 -0.139 0.000 1.050 253 K CA 1.959 58.166 56.287 -0.134 0.000 0.938 253 K CB -0.659 31.773 32.500 -0.115 0.000 0.718 253 K HN 0.318 nan 8.250 nan 0.000 0.442 254 T N -2.440 111.991 114.554 -0.205 0.000 3.022 254 T HA 0.136 4.486 4.350 -0.001 0.000 0.250 254 T C 0.495 175.090 174.700 -0.175 0.000 1.060 254 T CA -0.298 61.705 62.100 -0.162 0.000 1.013 254 T CB 0.296 69.073 68.868 -0.152 0.000 0.982 254 T HN -0.072 nan 8.240 nan 0.000 0.508 255 K N 0.404 120.605 120.400 -0.332 0.000 3.281 255 K HA -0.112 4.207 4.320 -0.001 0.000 0.295 255 K C -0.502 175.989 176.600 -0.182 0.000 1.233 255 K CA 0.793 56.927 56.287 -0.254 0.000 0.866 255 K CB -1.885 30.646 32.500 0.052 0.000 1.265 255 K HN 0.574 nan 8.250 nan 0.000 0.482 256 K N -0.627 119.552 120.400 -0.368 0.000 2.328 256 K HA 0.458 4.778 4.320 -0.001 0.000 0.246 256 K C -0.497 176.010 176.600 -0.155 0.000 0.955 256 K CA -0.753 55.477 56.287 -0.094 0.000 0.817 256 K CB 1.013 33.512 32.500 -0.001 0.000 1.208 256 K HN -0.046 nan 8.250 nan 0.000 0.432 257 W N 0.970 122.351 121.300 0.136 0.000 2.390 257 W HA 0.395 5.054 4.660 -0.001 0.000 0.312 257 W C 0.513 177.102 176.519 0.116 0.000 1.123 257 W CA -0.122 57.327 57.345 0.173 0.000 1.202 257 W CB 1.732 31.300 29.460 0.179 0.000 1.251 257 W HN 0.382 nan 8.180 nan 0.000 0.511 258 T N 1.403 116.163 114.554 0.343 0.000 2.838 258 T HA 0.298 4.647 4.350 -0.001 0.000 0.292 258 T C 0.290 175.192 174.700 0.337 0.000 1.113 258 T CA -0.713 61.536 62.100 0.248 0.000 1.008 258 T CB 1.066 70.004 68.868 0.118 0.000 1.259 258 T HN 0.399 nan 8.240 nan 0.000 0.520 259 N N 0.891 119.741 118.700 0.249 0.000 2.203 259 N HA 0.185 4.925 4.740 -0.001 0.000 0.207 259 N C -0.487 175.156 175.510 0.222 0.000 1.130 259 N CA 0.012 53.241 53.050 0.298 0.000 0.861 259 N CB 0.605 39.200 38.487 0.180 0.000 1.005 259 N HN 0.412 nan 8.380 nan 0.000 0.507 260 K N 1.473 121.887 120.400 0.023 0.000 2.211 260 K HA 0.080 4.399 4.320 -0.001 0.000 0.275 260 K C 0.025 176.173 176.600 -0.752 0.000 1.024 260 K CA -0.421 55.733 56.287 -0.222 0.000 0.887 260 K CB 1.117 33.527 32.500 -0.150 0.000 1.084 260 K HN 0.033 nan 8.250 nan 0.000 0.463 261 D N 0.632 120.488 120.400 -0.907 0.000 2.338 261 D HA -0.080 4.560 4.640 -0.001 0.000 0.239 261 D C 0.143 176.062 176.300 -0.635 0.000 1.095 261 D CA 0.037 53.264 54.000 -1.287 0.000 0.888 261 D CB 0.040 40.440 40.800 -0.666 0.000 0.899 261 D HN 0.434 nan 8.370 nan 0.000 0.525 262 T N -2.998 111.294 114.554 -0.437 0.000 2.883 262 T HA 0.470 4.819 4.350 -0.001 0.000 0.301 262 T C -0.625 173.948 174.700 -0.211 0.000 1.158 262 T CA -1.013 60.931 62.100 -0.260 0.000 1.007 262 T CB 2.480 71.242 68.868 -0.176 0.000 1.186 262 T HN 0.027 nan 8.240 nan 0.000 0.499 263 D N 1.081 121.386 120.400 -0.159 0.000 2.478 263 D HA 0.517 5.157 4.640 -0.001 0.000 0.274 263 D C 1.781 178.022 176.300 -0.099 0.000 1.234 263 D CA -0.283 53.641 54.000 -0.128 0.000 1.069 263 D CB 0.086 40.816 40.800 -0.117 0.000 1.113 263 D HN 0.705 nan 8.370 nan 0.000 0.571 264 A N -0.488 122.284 122.820 -0.081 0.000 1.940 264 A HA -0.194 4.125 4.320 -0.001 0.000 0.219 264 A C 1.766 179.315 177.584 -0.058 0.000 1.176 264 A CA 1.621 53.620 52.037 -0.062 0.000 0.631 264 A CB -0.800 18.169 19.000 -0.052 0.000 0.814 264 A HN 0.553 nan 8.150 nan 0.000 0.446 265 E N -1.380 118.784 120.200 -0.061 0.000 2.502 265 E HA 0.302 4.652 4.350 -0.001 0.000 0.194 265 E C 1.241 177.806 176.600 -0.058 0.000 1.062 265 E CA 0.735 57.102 56.400 -0.054 0.000 0.867 265 E CB -0.209 29.460 29.700 -0.052 0.000 0.888 265 E HN 0.773 nan 8.360 nan 0.000 0.510 266 G N 0.767 109.525 108.800 -0.070 0.000 2.176 266 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.253 266 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.253 266 G C 0.057 174.908 174.900 -0.081 0.000 0.979 266 G CA 0.141 45.197 45.100 -0.074 0.000 0.641 266 G HN 0.268 nan 8.290 nan 0.000 0.530 267 K N 1.080 121.430 120.400 -0.084 0.000 2.270 267 K HA 0.418 4.738 4.320 -0.001 0.000 0.276 267 K C -2.452 174.084 176.600 -0.107 0.000 1.023 267 K CA -1.641 54.596 56.287 -0.084 0.000 0.955 267 K CB 0.693 33.147 32.500 -0.077 0.000 0.975 267 K HN 0.039 nan 8.250 nan 0.000 0.471 268 P HA 0.024 nan 4.420 nan 0.000 0.267 268 P C -0.893 176.337 177.300 -0.116 0.000 1.205 268 P CA 0.273 63.306 63.100 -0.111 0.000 0.765 268 P CB 0.473 32.127 31.700 -0.077 0.000 0.828 269 L N 2.338 123.467 121.223 -0.156 0.000 2.329 269 L HA 0.408 4.747 4.340 -0.001 0.000 0.279 269 L C 0.785 177.706 176.870 0.085 0.000 1.014 269 L CA -0.813 53.972 54.840 -0.092 0.000 0.814 269 L CB 1.669 43.620 42.059 -0.181 0.000 1.257 269 L HN 0.344 nan 8.230 nan 0.000 0.424 270 E N 3.771 124.020 120.200 0.082 0.000 2.289 270 E HA 0.128 4.477 4.350 -0.001 0.000 0.278 270 E C -0.109 176.542 176.600 0.085 0.000 1.032 270 E CA -0.684 55.751 56.400 0.057 0.000 0.854 270 E CB 0.992 30.638 29.700 -0.090 0.000 1.046 270 E HN 0.394 nan 8.360 nan 0.000 0.409 271 R N 3.093 123.551 120.500 -0.071 0.000 2.638 271 R HA -0.072 4.268 4.340 -0.001 0.000 0.268 271 R C 0.763 176.873 176.300 -0.317 0.000 1.006 271 R CA 0.763 56.562 56.100 -0.502 0.000 1.088 271 R CB 0.517 30.464 30.300 -0.588 0.000 0.950 271 R HN 0.738 nan 8.270 nan 0.000 0.419 272 A N 5.246 127.920 122.820 -0.243 0.000 1.933 272 A HA -0.202 4.117 4.320 -0.001 0.000 0.218 272 A C 1.785 179.425 177.584 0.093 0.000 1.175 272 A CA 1.238 53.321 52.037 0.077 0.000 0.628 272 A CB -0.587 18.664 19.000 0.419 0.000 0.814 272 A HN 0.893 nan 8.150 nan 0.000 0.444 273 F N 1.731 121.599 119.950 -0.136 0.000 2.126 273 F HA -0.227 4.300 4.527 -0.001 0.000 0.299 273 F C 1.899 177.615 175.800 -0.140 0.000 1.096 273 F CA 2.158 60.114 58.000 -0.072 0.000 1.255 273 F CB -0.273 38.661 39.000 -0.111 0.000 0.997 273 F HN 0.247 nan 8.300 nan 0.000 0.479 274 N N 0.118 118.700 118.700 -0.196 0.000 2.135 274 N HA -0.179 4.561 4.740 -0.001 0.000 0.186 274 N C 2.001 177.279 175.510 -0.386 0.000 1.027 274 N CA 1.695 54.555 53.050 -0.316 0.000 0.849 274 N CB -0.687 37.647 38.487 -0.255 0.000 1.002 274 N HN 0.418 nan 8.380 nan 0.000 0.425 275 M N -0.829 118.531 119.600 -0.401 0.000 2.117 275 M HA -0.062 4.417 4.480 -0.001 0.000 0.262 275 M C 0.641 176.531 176.300 -0.683 0.000 1.065 275 M CA 1.677 56.619 55.300 -0.596 0.000 1.114 275 M CB 0.053 32.164 32.600 -0.816 0.000 1.361 275 M HN 0.012 nan 8.290 nan 0.000 0.408 276 F N -1.080 118.781 119.950 -0.148 0.000 2.678 276 F HA 0.246 4.772 4.527 -0.001 0.000 0.291 276 F C 1.681 177.369 175.800 -0.185 0.000 1.123 276 F CA 0.272 58.208 58.000 -0.107 0.000 1.395 276 F CB -0.008 38.990 39.000 -0.003 0.000 1.121 276 F HN 0.058 nan 8.300 nan 0.000 0.592 277 I N -1.080 119.274 120.570 -0.359 0.000 3.132 277 I HA -0.063 4.106 4.170 -0.001 0.000 0.255 277 I C 1.973 177.686 176.117 -0.674 0.000 1.118 277 I CA 0.502 61.258 61.300 -0.906 0.000 1.463 277 I CB -0.190 37.030 38.000 -1.300 0.000 1.356 277 I HN -0.052 nan 8.210 nan 0.000 0.463 278 L N 0.609 121.459 121.223 -0.622 0.000 2.093 278 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 278 L C 2.109 178.854 176.870 -0.208 0.000 1.085 278 L CA 1.462 56.095 54.840 -0.344 0.000 0.755 278 L CB -0.564 41.234 42.059 -0.435 0.000 0.904 278 L HN 0.288 nan 8.230 nan 0.000 0.435 279 D N -0.008 120.218 120.400 -0.291 0.000 2.092 279 D HA -0.151 4.489 4.640 -0.001 0.000 0.193 279 D C -0.629 175.671 176.300 0.000 0.000 0.994 279 D CA 1.450 55.340 54.000 -0.183 0.000 0.828 279 D CB -0.653 40.018 40.800 -0.214 0.000 0.963 279 D HN 0.104 nan 8.370 nan 0.000 0.450 280 P HA -0.104 nan 4.420 nan 0.000 0.215 280 P C 1.433 178.825 177.300 0.154 0.000 1.153 280 P CA 1.109 64.268 63.100 0.099 0.000 0.853 280 P CB -0.007 31.815 31.700 0.204 0.000 0.788 281 I N -2.776 117.918 120.570 0.208 0.000 2.252 281 I HA -0.214 3.955 4.170 -0.001 0.000 0.245 281 I C 2.043 178.307 176.117 0.245 0.000 1.102 281 I CA 1.243 62.684 61.300 0.235 0.000 1.385 281 I CB -0.583 37.502 38.000 0.141 0.000 1.064 281 I HN -0.147 nan 8.210 nan 0.000 0.414 282 F N 1.342 121.275 119.950 -0.028 0.000 2.134 282 F HA -0.154 4.373 4.527 -0.001 0.000 0.299 282 F C 2.691 178.521 175.800 0.051 0.000 1.097 282 F CA 1.453 59.432 58.000 -0.034 0.000 1.264 282 F CB -0.597 38.363 39.000 -0.066 0.000 1.001 282 F HN -0.100 nan 8.300 nan 0.000 0.479 283 R N -0.229 120.402 120.500 0.219 0.000 2.115 283 R HA -0.111 4.229 4.340 -0.001 0.000 0.230 283 R C 2.221 178.572 176.300 0.085 0.000 1.111 283 R CA 1.006 57.177 56.100 0.118 0.000 0.976 283 R CB -0.542 29.796 30.300 0.063 0.000 0.870 283 R HN 0.325 nan 8.270 nan 0.000 0.445 284 L N -0.586 120.697 121.223 0.099 0.000 2.027 284 L HA -0.158 4.181 4.340 -0.001 0.000 0.206 284 L C 2.106 178.999 176.870 0.039 0.000 1.074 284 L CA 1.420 56.278 54.840 0.029 0.000 0.745 284 L CB -0.405 41.657 42.059 0.004 0.000 0.898 284 L HN 0.110 nan 8.230 nan 0.000 0.433 285 F N 0.053 119.952 119.950 -0.085 0.000 2.069 285 F HA -0.290 4.236 4.527 -0.001 0.000 0.298 285 F C 2.699 178.446 175.800 -0.089 0.000 1.113 285 F CA 1.989 59.932 58.000 -0.094 0.000 1.214 285 F CB -0.669 38.249 39.000 -0.137 0.000 0.978 285 F HN 0.021 nan 8.300 nan 0.000 0.474 286 T N -0.159 114.482 114.554 0.145 0.000 2.652 286 T HA -0.248 4.101 4.350 -0.001 0.000 0.267 286 T C 2.161 176.865 174.700 0.007 0.000 1.039 286 T CA 1.410 63.549 62.100 0.066 0.000 1.153 286 T CB -0.738 68.176 68.868 0.077 0.000 0.863 286 T HN 0.329 nan 8.240 nan 0.000 0.428 287 A N 0.876 123.694 122.820 -0.003 0.000 1.902 287 A HA -0.003 4.317 4.320 -0.001 0.000 0.217 287 A C 2.314 179.838 177.584 -0.100 0.000 1.181 287 A CA 1.248 53.264 52.037 -0.035 0.000 0.623 287 A CB -0.707 18.276 19.000 -0.029 0.000 0.818 287 A HN 0.534 nan 8.150 nan 0.000 0.443 288 I N -0.946 119.536 120.570 -0.148 0.000 2.333 288 I HA -0.185 3.985 4.170 -0.001 0.000 0.246 288 I C 2.263 178.123 176.117 -0.428 0.000 1.106 288 I CA 0.883 62.031 61.300 -0.253 0.000 1.411 288 I CB -0.281 37.568 38.000 -0.253 0.000 1.082 288 I HN 0.223 nan 8.210 nan 0.000 0.420 289 M N 0.163 119.566 119.600 -0.328 0.000 2.476 289 M HA -0.102 4.377 4.480 -0.001 0.000 0.262 289 M C 0.957 177.029 176.300 -0.379 0.000 1.079 289 M CA 1.485 56.561 55.300 -0.373 0.000 1.104 289 M CB -1.507 31.010 32.600 -0.138 0.000 1.409 289 M HN 0.228 nan 8.290 nan 0.000 0.467 290 N N -0.606 117.964 118.700 -0.216 0.000 2.251 290 N HA 0.152 4.891 4.740 -0.001 0.000 0.217 290 N C -0.741 174.845 175.510 0.126 0.000 1.124 290 N CA -0.152 52.902 53.050 0.007 0.000 0.843 290 N CB -0.058 38.455 38.487 0.044 0.000 1.024 290 N HN 0.054 nan 8.380 nan 0.000 0.501 291 F N 0.347 120.296 119.950 -0.001 0.000 2.943 291 F HA -0.284 4.242 4.527 -0.001 0.000 0.258 291 F C -0.067 175.730 175.800 -0.004 0.000 0.995 291 F CA 0.406 58.402 58.000 -0.006 0.000 0.896 291 F CB -1.698 37.300 39.000 -0.004 0.000 0.821 291 F HN 0.061 nan 8.300 nan 0.000 0.828 292 K N 1.337 121.779 120.400 0.069 0.000 2.307 292 K HA 0.067 4.387 4.320 -0.001 0.000 0.240 292 K C 1.473 178.096 176.600 0.038 0.000 1.214 292 K CA -0.165 56.154 56.287 0.053 0.000 1.149 292 K CB 0.222 32.737 32.500 0.024 0.000 1.668 292 K HN 0.512 nan 8.250 nan 0.000 0.314 293 K N 0.156 120.593 120.400 0.063 0.000 2.207 293 K HA -0.268 4.052 4.320 -0.001 0.000 0.208 293 K C 0.345 176.958 176.600 0.022 0.000 1.046 293 K CA 1.794 58.108 56.287 0.046 0.000 0.929 293 K CB 0.023 32.556 32.500 0.054 0.000 0.720 293 K HN 0.289 nan 8.250 nan 0.000 0.463 294 D N 0.758 121.169 120.400 0.019 0.000 2.277 294 D HA -0.031 4.609 4.640 -0.001 0.000 0.209 294 D C 1.731 178.031 176.300 0.001 0.000 0.970 294 D CA 0.722 54.727 54.000 0.009 0.000 0.874 294 D CB 0.098 40.904 40.800 0.010 0.000 0.982 294 D HN 0.445 nan 8.370 nan 0.000 0.504 295 E N 0.876 121.076 120.200 0.001 0.000 2.072 295 E HA -0.041 4.309 4.350 -0.001 0.000 0.190 295 E C 2.358 178.947 176.600 -0.019 0.000 0.982 295 E CA 0.242 56.638 56.400 -0.007 0.000 0.803 295 E CB 0.108 29.806 29.700 -0.004 0.000 0.755 295 E HN 0.217 nan 8.360 nan 0.000 0.453 296 I N 1.373 121.929 120.570 -0.023 0.000 2.113 296 I HA -0.283 3.887 4.170 -0.001 0.000 0.242 296 I C -0.725 175.368 176.117 -0.040 0.000 1.057 296 I CA 1.507 62.783 61.300 -0.040 0.000 1.314 296 I CB -1.468 36.506 38.000 -0.042 0.000 1.022 296 I HN 0.095 nan 8.210 nan 0.000 0.408 297 P HA -0.139 nan 4.420 nan 0.000 0.215 297 P C 1.970 179.252 177.300 -0.029 0.000 1.157 297 P CA 1.323 64.407 63.100 -0.026 0.000 0.874 297 P CB 0.002 31.692 31.700 -0.015 0.000 0.790 298 V N -0.751 119.148 119.914 -0.025 0.000 2.261 298 V HA -0.233 3.886 4.120 -0.001 0.000 0.246 298 V C 2.414 178.486 176.094 -0.036 0.000 1.047 298 V CA 1.634 63.919 62.300 -0.025 0.000 1.015 298 V CB -1.312 30.499 31.823 -0.019 0.000 0.642 298 V HN 0.034 nan 8.190 nan 0.000 0.446 299 L N -0.790 120.407 121.223 -0.044 0.000 2.013 299 L HA -0.185 4.154 4.340 -0.001 0.000 0.212 299 L C 2.219 179.034 176.870 -0.091 0.000 1.073 299 L CA 1.906 56.708 54.840 -0.063 0.000 0.753 299 L CB -0.790 41.229 42.059 -0.066 0.000 0.890 299 L HN 0.188 nan 8.230 nan 0.000 0.432 300 L N -0.615 120.554 121.223 -0.090 0.000 2.012 300 L HA -0.242 4.098 4.340 -0.001 0.000 0.210 300 L C 2.573 179.398 176.870 -0.075 0.000 1.073 300 L CA 1.923 56.702 54.840 -0.102 0.000 0.748 300 L CB -0.986 41.027 42.059 -0.077 0.000 0.891 300 L HN 0.416 nan 8.230 nan 0.000 0.431 301 E N -0.407 119.764 120.200 -0.048 0.000 2.110 301 E HA -0.242 4.107 4.350 -0.001 0.000 0.193 301 E C 2.096 178.680 176.600 -0.026 0.000 0.988 301 E CA 1.153 57.535 56.400 -0.030 0.000 0.804 301 E CB 0.083 29.770 29.700 -0.021 0.000 0.745 301 E HN 0.401 nan 8.360 nan 0.000 0.458 302 K N -0.128 120.253 120.400 -0.032 0.000 2.148 302 K HA -0.050 4.269 4.320 -0.001 0.000 0.204 302 K C 1.692 178.286 176.600 -0.011 0.000 1.050 302 K CA 0.724 56.999 56.287 -0.020 0.000 0.942 302 K CB 0.097 32.584 32.500 -0.022 0.000 0.724 302 K HN 0.241 nan 8.250 nan 0.000 0.446 303 L N 0.871 122.063 121.223 -0.053 0.000 2.653 303 L HA 0.076 4.415 4.340 -0.001 0.000 0.231 303 L C -0.368 176.491 176.870 -0.020 0.000 1.153 303 L CA 0.079 54.881 54.840 -0.062 0.000 0.933 303 L CB -0.182 41.698 42.059 -0.298 0.000 1.175 303 L HN 0.194 nan 8.230 nan 0.000 0.473 304 E N 0.692 120.887 120.200 -0.008 0.000 2.360 304 E HA -0.217 4.133 4.350 -0.001 0.000 0.238 304 E C -0.218 176.387 176.600 0.009 0.000 1.186 304 E CA 0.195 56.602 56.400 0.012 0.000 0.719 304 E CB -1.078 28.648 29.700 0.042 0.000 1.236 304 E HN 0.291 nan 8.360 nan 0.000 0.386 305 I N 1.608 122.160 120.570 -0.029 0.000 2.312 305 I HA 0.182 4.351 4.170 -0.001 0.000 0.290 305 I C 0.722 176.828 176.117 -0.018 0.000 1.008 305 I CA -0.661 60.624 61.300 -0.025 0.000 1.226 305 I CB 1.034 38.980 38.000 -0.089 0.000 1.371 305 I HN -0.040 nan 8.210 nan 0.000 0.468 306 V N 6.245 126.161 119.914 0.002 0.000 2.384 306 V HA 0.577 4.697 4.120 -0.001 0.000 0.287 306 V C -0.261 175.834 176.094 0.002 0.000 1.020 306 V CA -0.761 61.539 62.300 0.000 0.000 0.850 306 V CB 1.549 33.377 31.823 0.007 0.000 0.987 306 V HN 0.468 nan 8.190 nan 0.000 0.436 307 L N 5.542 126.762 121.223 -0.005 0.000 2.334 307 L HA 0.645 4.984 4.340 -0.001 0.000 0.277 307 L C 0.299 177.170 176.870 0.000 0.000 1.075 307 L CA -0.494 54.344 54.840 -0.004 0.000 0.804 307 L CB 1.454 43.507 42.059 -0.011 0.000 1.174 307 L HN 0.890 nan 8.230 nan 0.000 0.438 308 K N 1.554 121.956 120.400 0.003 0.000 2.371 308 K HA 0.804 5.124 4.320 -0.001 0.000 0.251 308 K C 0.267 176.869 176.600 0.004 0.000 0.934 308 K CA -0.240 56.050 56.287 0.005 0.000 0.798 308 K CB 2.186 34.691 32.500 0.007 0.000 1.204 308 K HN 0.641 nan 8.250 nan 0.000 0.427 309 G N 2.674 111.477 108.800 0.004 0.000 2.556 309 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.283 309 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.283 309 G C 0.182 175.084 174.900 0.003 0.000 1.177 309 G CA 0.512 45.615 45.100 0.004 0.000 0.978 309 G HN 0.792 nan 8.290 nan 0.000 0.554 310 D N 1.532 121.934 120.400 0.004 0.000 2.371 310 D HA 0.032 4.672 4.640 -0.001 0.000 0.221 310 D C 2.223 178.525 176.300 0.003 0.000 0.986 310 D CA 1.142 55.144 54.000 0.004 0.000 0.899 310 D CB -0.115 40.687 40.800 0.004 0.000 0.902 310 D HN 0.725 nan 8.370 nan 0.000 0.530 311 E N 0.917 121.118 120.200 0.001 0.000 2.204 311 E HA -0.131 4.219 4.350 -0.001 0.000 0.195 311 E C 1.676 178.274 176.600 -0.004 0.000 0.990 311 E CA 0.635 57.034 56.400 -0.002 0.000 0.821 311 E CB 0.011 29.710 29.700 -0.003 0.000 0.750 311 E HN 0.279 nan 8.360 nan 0.000 0.477 312 K N 0.740 121.139 120.400 -0.001 0.000 2.360 312 K HA -0.117 4.203 4.320 -0.001 0.000 0.201 312 K C 1.009 177.612 176.600 0.004 0.000 1.046 312 K CA 0.936 57.223 56.287 -0.001 0.000 0.945 312 K CB 0.122 32.622 32.500 0.000 0.000 0.750 312 K HN 0.114 nan 8.250 nan 0.000 0.464 313 D N 0.453 120.857 120.400 0.006 0.000 2.367 313 D HA 0.051 4.690 4.640 -0.001 0.000 0.207 313 D C 0.634 176.946 176.300 0.020 0.000 1.034 313 D CA 0.207 54.215 54.000 0.013 0.000 0.861 313 D CB 0.256 41.063 40.800 0.011 0.000 0.943 313 D HN 0.104 nan 8.370 nan 0.000 0.515 314 L N 1.157 122.388 121.223 0.012 0.000 2.473 314 L HA 0.152 4.492 4.340 -0.001 0.000 0.268 314 L C 0.671 177.556 176.870 0.025 0.000 1.215 314 L CA 0.476 55.324 54.840 0.014 0.000 0.823 314 L CB 0.435 42.490 42.059 -0.007 0.000 1.099 314 L HN -0.152 nan 8.230 nan 0.000 0.483 315 E N -0.336 119.892 120.200 0.047 0.000 2.458 315 E HA 0.531 4.881 4.350 -0.001 0.000 0.278 315 E C 0.002 176.606 176.600 0.007 0.000 1.004 315 E CA -0.478 55.970 56.400 0.079 0.000 0.823 315 E CB 1.476 31.350 29.700 0.290 0.000 1.396 315 E HN 0.701 nan 8.360 nan 0.000 0.463 316 G N 1.214 109.875 108.800 -0.233 0.000 2.582 316 G HA2 -0.422 3.537 3.960 -0.001 0.000 0.300 316 G HA3 -0.422 3.537 3.960 -0.001 0.000 0.300 316 G C 0.664 175.437 174.900 -0.211 0.000 1.300 316 G CA 0.881 45.760 45.100 -0.370 0.000 0.959 316 G HN 0.588 nan 8.290 nan 0.000 0.548 317 K N 0.185 120.509 120.400 -0.126 0.000 2.059 317 K HA -0.105 4.215 4.320 -0.001 0.000 0.212 317 K C 3.127 179.647 176.600 -0.134 0.000 1.050 317 K CA 2.207 58.422 56.287 -0.121 0.000 0.927 317 K CB -0.501 31.972 32.500 -0.045 0.000 0.714 317 K HN 0.738 nan 8.250 nan 0.000 0.447 318 A N 1.511 124.285 122.820 -0.075 0.000 1.892 318 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 318 A C 2.165 179.699 177.584 -0.084 0.000 1.188 318 A CA 1.555 53.554 52.037 -0.064 0.000 0.631 318 A CB -0.602 18.386 19.000 -0.021 0.000 0.822 318 A HN 0.282 nan 8.150 nan 0.000 0.447 319 L N -0.913 120.255 121.223 -0.091 0.000 2.056 319 L HA -0.071 4.268 4.340 -0.001 0.000 0.207 319 L C 2.238 179.023 176.870 -0.142 0.000 1.078 319 L CA 2.038 56.819 54.840 -0.098 0.000 0.749 319 L CB -0.656 41.345 42.059 -0.098 0.000 0.901 319 L HN 0.342 nan 8.230 nan 0.000 0.433 320 L N -0.088 121.011 121.223 -0.208 0.000 2.012 320 L HA -0.246 4.094 4.340 -0.001 0.000 0.210 320 L C 2.498 179.218 176.870 -0.249 0.000 1.073 320 L CA 1.968 56.637 54.840 -0.286 0.000 0.748 320 L CB -0.727 41.087 42.059 -0.408 0.000 0.891 320 L HN 0.277 nan 8.230 nan 0.000 0.431 321 K N -1.208 119.037 120.400 -0.259 0.000 2.063 321 K HA -0.162 4.157 4.320 -0.001 0.000 0.208 321 K C 1.956 178.515 176.600 -0.068 0.000 1.048 321 K CA 1.682 57.843 56.287 -0.209 0.000 0.928 321 K CB -0.493 31.881 32.500 -0.211 0.000 0.713 321 K HN 0.269 nan 8.250 nan 0.000 0.442 322 V N 1.070 120.945 119.914 -0.065 0.000 2.343 322 V HA -0.208 3.912 4.120 -0.001 0.000 0.247 322 V C 2.279 178.371 176.094 -0.004 0.000 1.051 322 V CA 1.430 63.717 62.300 -0.021 0.000 1.036 322 V CB -0.225 31.582 31.823 -0.027 0.000 0.654 322 V HN 0.096 nan 8.190 nan 0.000 0.451 323 V N -0.600 119.291 119.914 -0.039 0.000 2.307 323 V HA -0.270 3.849 4.120 -0.001 0.000 0.245 323 V C 2.481 178.606 176.094 0.052 0.000 1.045 323 V CA 1.842 64.126 62.300 -0.026 0.000 1.024 323 V CB -0.565 31.202 31.823 -0.094 0.000 0.651 323 V HN 0.408 nan 8.190 nan 0.000 0.449 324 M N -0.556 119.067 119.600 0.038 0.000 2.175 324 M HA -0.104 4.376 4.480 -0.001 0.000 0.264 324 M C 2.288 178.738 176.300 0.250 0.000 1.063 324 M CA 1.572 56.949 55.300 0.129 0.000 1.119 324 M CB -1.223 31.366 32.600 -0.018 0.000 1.377 324 M HN 0.285 nan 8.290 nan 0.000 0.415 325 R N 0.222 120.840 120.500 0.197 0.000 2.096 325 R HA -0.109 4.230 4.340 -0.001 0.000 0.235 325 R C 2.216 178.611 176.300 0.159 0.000 1.127 325 R CA 1.195 57.408 56.100 0.188 0.000 0.968 325 R CB -0.135 30.240 30.300 0.125 0.000 0.861 325 R HN 0.401 nan 8.270 nan 0.000 0.440 326 K N -0.578 119.908 120.400 0.143 0.000 2.167 326 K HA -0.083 4.236 4.320 -0.001 0.000 0.203 326 K C 1.771 178.495 176.600 0.206 0.000 1.052 326 K CA 0.792 57.159 56.287 0.133 0.000 0.956 326 K CB -0.088 32.468 32.500 0.094 0.000 0.735 326 K HN 0.049 nan 8.250 nan 0.000 0.451 327 F N 1.146 121.120 119.950 0.041 0.000 2.098 327 F HA 0.051 4.578 4.527 -0.001 0.000 0.294 327 F C 0.581 176.413 175.800 0.052 0.000 1.107 327 F CA 0.998 59.018 58.000 0.034 0.000 1.234 327 F CB 0.204 39.218 39.000 0.023 0.000 1.002 327 F HN -0.205 nan 8.300 nan 0.000 0.472 328 L N 1.339 122.591 121.223 0.049 0.000 2.502 328 L HA 0.322 4.662 4.340 -0.001 0.000 0.249 328 L C -2.589 174.388 176.870 0.178 0.000 1.446 328 L CA -1.874 52.962 54.840 -0.006 0.000 0.887 328 L CB 0.987 43.043 42.059 -0.005 0.000 1.126 328 L HN -0.169 nan 8.230 nan 0.000 0.509 329 P HA -0.058 nan 4.420 nan 0.000 0.258 329 P C 0.838 178.208 177.300 0.116 0.000 1.172 329 P CA 0.357 63.533 63.100 0.127 0.000 0.762 329 P CB 1.168 32.914 31.700 0.078 0.000 0.764 330 A N 5.557 128.453 122.820 0.127 0.000 1.873 330 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 330 A C 2.210 179.808 177.584 0.023 0.000 1.193 330 A CA 2.323 54.400 52.037 0.066 0.000 0.629 330 A CB -1.629 17.385 19.000 0.024 0.000 0.826 330 A HN 0.517 nan 8.150 nan 0.000 0.447 331 A N -0.034 122.800 122.820 0.023 0.000 1.927 331 A HA -0.283 4.037 4.320 -0.001 0.000 0.220 331 A C 1.747 179.331 177.584 0.000 0.000 1.185 331 A CA 2.291 54.332 52.037 0.007 0.000 0.639 331 A CB -0.854 18.155 19.000 0.016 0.000 0.820 331 A HN 0.499 nan 8.150 nan 0.000 0.451 332 D N -0.167 120.240 120.400 0.010 0.000 2.123 332 D HA -0.069 4.571 4.640 -0.001 0.000 0.196 332 D C 2.207 178.500 176.300 -0.011 0.000 0.992 332 D CA 1.599 55.598 54.000 -0.002 0.000 0.833 332 D CB -0.407 40.395 40.800 0.003 0.000 0.954 332 D HN 0.464 nan 8.370 nan 0.000 0.455 333 A N 0.307 123.127 122.820 0.001 0.000 1.898 333 A HA -0.099 4.220 4.320 -0.001 0.000 0.216 333 A C 2.333 179.894 177.584 -0.038 0.000 1.181 333 A CA 0.889 52.923 52.037 -0.005 0.000 0.620 333 A CB -0.658 18.350 19.000 0.013 0.000 0.819 333 A HN 0.213 nan 8.150 nan 0.000 0.442 334 L N -0.785 120.410 121.223 -0.047 0.000 2.027 334 L HA -0.133 4.207 4.340 -0.001 0.000 0.206 334 L C 2.518 179.357 176.870 -0.052 0.000 1.074 334 L CA 0.990 55.794 54.840 -0.060 0.000 0.745 334 L CB -0.687 41.339 42.059 -0.056 0.000 0.898 334 L HN 0.332 nan 8.230 nan 0.000 0.433 335 L N -0.187 121.008 121.223 -0.047 0.000 2.131 335 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 335 L C 2.651 179.464 176.870 -0.094 0.000 1.092 335 L CA 1.143 55.946 54.840 -0.063 0.000 0.759 335 L CB -0.486 41.541 42.059 -0.054 0.000 0.903 335 L HN 0.360 nan 8.230 nan 0.000 0.435 336 E N 0.467 120.622 120.200 -0.075 0.000 2.051 336 E HA -0.246 4.104 4.350 -0.001 0.000 0.192 336 E C 2.343 178.905 176.600 -0.063 0.000 0.991 336 E CA 1.320 57.671 56.400 -0.082 0.000 0.799 336 E CB -0.016 29.659 29.700 -0.042 0.000 0.748 336 E HN 0.442 nan 8.360 nan 0.000 0.449 337 M N 0.254 119.845 119.600 -0.015 0.000 2.175 337 M HA -0.133 4.346 4.480 -0.001 0.000 0.264 337 M C 2.364 178.674 176.300 0.017 0.000 1.063 337 M CA 1.152 56.487 55.300 0.058 0.000 1.119 337 M CB -0.243 32.352 32.600 -0.008 0.000 1.377 337 M HN 0.206 nan 8.290 nan 0.000 0.415 338 I N -0.458 120.085 120.570 -0.044 0.000 2.179 338 I HA -0.254 3.915 4.170 -0.001 0.000 0.242 338 I C 2.341 178.388 176.117 -0.116 0.000 1.088 338 I CA 1.151 62.418 61.300 -0.055 0.000 1.357 338 I CB -0.431 37.537 38.000 -0.053 0.000 1.051 338 I HN 0.064 nan 8.210 nan 0.000 0.409 339 V N 0.983 120.761 119.914 -0.227 0.000 2.270 339 V HA -0.229 3.890 4.120 -0.001 0.000 0.245 339 V C 2.295 178.152 176.094 -0.395 0.000 1.043 339 V CA 1.621 63.652 62.300 -0.448 0.000 1.014 339 V CB -0.436 30.943 31.823 -0.740 0.000 0.645 339 V HN 0.354 nan 8.190 nan 0.000 0.447 340 L N -1.030 119.988 121.223 -0.341 0.000 2.217 340 L HA -0.062 4.278 4.340 -0.001 0.000 0.211 340 L C 2.344 178.888 176.870 -0.542 0.000 1.107 340 L CA 1.180 55.761 54.840 -0.430 0.000 0.783 340 L CB -0.490 41.278 42.059 -0.486 0.000 0.919 340 L HN 0.474 nan 8.230 nan 0.000 0.442 341 H N -1.463 117.561 119.070 -0.076 0.000 2.927 341 H HA 0.312 4.867 4.556 -0.001 0.000 0.255 341 H C 0.779 176.096 175.328 -0.017 0.000 0.974 341 H CA -0.244 55.781 56.048 -0.039 0.000 1.199 341 H CB 0.735 30.473 29.762 -0.041 0.000 1.447 341 H HN 0.126 nan 8.280 nan 0.000 0.467 342 L N 4.411 125.677 121.223 0.071 0.000 2.417 342 L HA 0.180 4.519 4.340 -0.001 0.000 0.268 342 L C -1.957 174.949 176.870 0.060 0.000 1.158 342 L CA -1.668 53.209 54.840 0.062 0.000 0.819 342 L CB 0.591 42.673 42.059 0.038 0.000 1.112 342 L HN -0.057 nan 8.230 nan 0.000 0.458 343 P HA 0.119 nan 4.420 nan 0.000 0.277 343 P C -0.712 176.630 177.300 0.070 0.000 1.240 343 P CA -0.497 62.660 63.100 0.095 0.000 0.798 343 P CB 1.408 33.201 31.700 0.155 0.000 0.979 344 S N 1.880 117.618 115.700 0.063 0.000 2.655 344 S HA 0.305 4.775 4.470 -0.001 0.000 0.265 344 S C -1.777 172.835 174.600 0.020 0.000 1.240 344 S CA -1.081 57.151 58.200 0.053 0.000 0.986 344 S CB -0.180 63.057 63.200 0.062 0.000 0.985 344 S HN 0.246 nan 8.310 nan 0.000 0.562 345 P HA -0.017 nan 4.420 nan 0.000 0.217 345 P C 1.558 178.839 177.300 -0.030 0.000 1.150 345 P CA 0.546 63.636 63.100 -0.017 0.000 0.832 345 P CB -0.190 31.490 31.700 -0.033 0.000 0.787 346 V N -0.405 119.498 119.914 -0.018 0.000 2.287 346 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 346 V C 2.303 178.373 176.094 -0.040 0.000 1.053 346 V CA 2.631 64.919 62.300 -0.021 0.000 1.027 346 V CB -1.844 29.977 31.823 -0.005 0.000 0.646 346 V HN 0.194 nan 8.190 nan 0.000 0.447 347 T N 0.247 114.786 114.554 -0.024 0.000 2.737 347 T HA -0.099 4.250 4.350 -0.001 0.000 0.265 347 T C 2.069 176.652 174.700 -0.196 0.000 1.038 347 T CA 1.635 63.727 62.100 -0.014 0.000 1.144 347 T CB -0.427 68.481 68.868 0.068 0.000 0.866 347 T HN 0.563 nan 8.240 nan 0.000 0.434 348 A N 1.467 124.123 122.820 -0.273 0.000 1.898 348 A HA -0.124 4.196 4.320 -0.001 0.000 0.216 348 A C 2.231 179.369 177.584 -0.744 0.000 1.181 348 A CA 1.301 52.928 52.037 -0.684 0.000 0.620 348 A CB -0.641 18.225 19.000 -0.223 0.000 0.819 348 A HN 0.547 nan 8.150 nan 0.000 0.442 349 Q N -0.521 119.099 119.800 -0.301 0.000 2.364 349 Q HA -0.054 4.285 4.340 -0.001 0.000 0.209 349 Q C 2.245 178.125 176.000 -0.201 0.000 0.977 349 Q CA 0.871 56.572 55.803 -0.170 0.000 0.885 349 Q CB -0.377 28.363 28.738 0.003 0.000 0.941 349 Q HN 0.703 nan 8.270 nan 0.000 0.464 350 A N 1.050 123.725 122.820 -0.241 0.000 1.933 350 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 350 A C 1.642 179.200 177.584 -0.043 0.000 1.175 350 A CA 1.436 53.408 52.037 -0.107 0.000 0.628 350 A CB -0.567 18.411 19.000 -0.036 0.000 0.814 350 A HN 0.618 nan 8.150 nan 0.000 0.444 351 Y N -3.113 117.198 120.300 0.019 0.000 2.458 351 Y HA 0.514 5.064 4.550 -0.001 0.000 0.256 351 Y C 1.742 177.646 175.900 0.008 0.000 1.159 351 Y CA -0.153 57.955 58.100 0.014 0.000 1.261 351 Y CB -0.078 38.393 38.460 0.019 0.000 1.119 351 Y HN 0.093 nan 8.280 nan 0.000 0.524 352 R N 0.282 120.752 120.500 -0.050 0.000 2.282 352 R HA 0.323 4.662 4.340 -0.001 0.000 0.195 352 R C 2.308 178.567 176.300 -0.069 0.000 0.909 352 R CA 0.619 56.714 56.100 -0.007 0.000 1.039 352 R CB 0.036 30.295 30.300 -0.068 0.000 1.015 352 R HN 0.374 nan 8.270 nan 0.000 0.513 353 A N 2.012 124.780 122.820 -0.086 0.000 1.896 353 A HA -0.289 4.030 4.320 -0.001 0.000 0.220 353 A C 1.819 179.377 177.584 -0.044 0.000 1.206 353 A CA 1.850 53.828 52.037 -0.099 0.000 0.647 353 A CB -0.441 18.516 19.000 -0.072 0.000 0.828 353 A HN 0.342 nan 8.150 nan 0.000 0.455 354 E N -0.588 119.615 120.200 0.005 0.000 2.058 354 E HA -0.253 4.096 4.350 -0.001 0.000 0.194 354 E C 2.339 178.953 176.600 0.023 0.000 0.997 354 E CA 1.439 57.861 56.400 0.037 0.000 0.801 354 E CB -0.318 29.404 29.700 0.036 0.000 0.746 354 E HN 0.763 nan 8.360 nan 0.000 0.450 355 Q N 0.471 120.273 119.800 0.002 0.000 2.096 355 Q HA -0.150 4.190 4.340 -0.001 0.000 0.204 355 Q C 2.395 178.363 176.000 -0.052 0.000 0.982 355 Q CA 1.090 56.885 55.803 -0.013 0.000 0.850 355 Q CB -0.185 28.551 28.738 -0.003 0.000 0.901 355 Q HN 0.336 nan 8.270 nan 0.000 0.422 356 L N -0.855 120.300 121.223 -0.112 0.000 2.275 356 L HA -0.075 4.265 4.340 -0.001 0.000 0.215 356 L C 0.625 177.457 176.870 -0.064 0.000 1.119 356 L CA 0.354 55.063 54.840 -0.218 0.000 0.790 356 L CB -0.074 41.694 42.059 -0.486 0.000 0.919 356 L HN 0.162 nan 8.230 nan 0.000 0.443 357 Y N 0.758 120.975 120.300 -0.139 0.000 2.331 357 Y HA 0.192 4.741 4.550 -0.001 0.000 0.338 357 Y C 1.095 177.002 175.900 0.011 0.000 0.976 357 Y CA -1.208 56.860 58.100 -0.054 0.000 1.137 357 Y CB 0.853 39.282 38.460 -0.052 0.000 1.172 357 Y HN -0.047 nan 8.280 nan 0.000 0.478 358 E N 3.154 123.213 120.200 -0.235 0.000 2.502 358 E HA 0.099 4.448 4.350 -0.001 0.000 0.194 358 E C 0.793 177.158 176.600 -0.393 0.000 1.062 358 E CA 0.281 56.603 56.400 -0.130 0.000 0.867 358 E CB 0.215 29.958 29.700 0.071 0.000 0.888 358 E HN 0.848 nan 8.360 nan 0.000 0.510 359 G N 1.773 109.962 108.800 -1.019 0.000 2.583 359 G HA2 0.367 4.326 3.960 -0.001 0.000 0.280 359 G HA3 0.367 4.326 3.960 -0.001 0.000 0.280 359 G C -2.508 172.188 174.900 -0.339 0.000 1.376 359 G CA -1.164 43.312 45.100 -1.040 0.000 1.043 359 G HN -0.088 nan 8.290 nan 0.000 0.538 360 P HA 0.229 nan 4.420 nan 0.000 0.268 360 P C 0.585 177.937 177.300 0.088 0.000 1.204 360 P CA 0.331 63.420 63.100 -0.019 0.000 0.768 360 P CB 1.252 32.947 31.700 -0.009 0.000 0.842 361 A N 3.570 126.419 122.820 0.048 0.000 1.972 361 A HA -0.195 4.124 4.320 -0.001 0.000 0.219 361 A C 1.331 178.943 177.584 0.045 0.000 1.169 361 A CA 2.053 54.125 52.037 0.058 0.000 0.635 361 A CB -1.106 17.911 19.000 0.029 0.000 0.810 361 A HN 0.676 nan 8.150 nan 0.000 0.446 362 D N -0.786 119.634 120.400 0.033 0.000 2.342 362 D HA 0.178 4.817 4.640 -0.001 0.000 0.221 362 D C 0.229 176.544 176.300 0.025 0.000 1.101 362 D CA 0.046 54.058 54.000 0.020 0.000 0.837 362 D CB -0.326 40.481 40.800 0.011 0.000 0.938 362 D HN 0.439 nan 8.370 nan 0.000 0.508 363 D N -0.435 119.997 120.400 0.053 0.000 2.368 363 D HA 0.308 4.948 4.640 -0.001 0.000 0.240 363 D C 1.501 177.806 176.300 0.008 0.000 1.169 363 D CA 0.087 54.126 54.000 0.066 0.000 0.906 363 D CB 1.209 42.127 40.800 0.196 0.000 1.187 363 D HN 0.022 nan 8.370 nan 0.000 0.435 364 A N 2.927 125.750 122.820 0.004 0.000 1.902 364 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 364 A C 1.847 179.384 177.584 -0.080 0.000 1.181 364 A CA 1.708 53.730 52.037 -0.025 0.000 0.623 364 A CB -0.807 18.189 19.000 -0.006 0.000 0.818 364 A HN 0.776 nan 8.150 nan 0.000 0.443 365 N N -0.836 117.786 118.700 -0.129 0.000 2.188 365 N HA -0.128 4.612 4.740 -0.001 0.000 0.184 365 N C 1.655 176.892 175.510 -0.456 0.000 1.018 365 N CA 1.304 54.188 53.050 -0.277 0.000 0.858 365 N CB -0.595 37.696 38.487 -0.327 0.000 0.989 365 N HN 0.564 nan 8.380 nan 0.000 0.426 366 C N 0.576 119.564 119.300 -0.520 0.000 2.429 366 C HA 0.033 4.493 4.460 -0.001 0.000 0.277 366 C C 2.334 177.215 174.990 -0.180 0.000 1.262 366 C CA 0.410 59.191 59.018 -0.395 0.000 1.733 366 C CB -1.151 26.535 27.740 -0.089 0.000 2.010 366 C HN 0.351 nan 8.230 nan 0.000 0.483 367 I N 1.729 122.231 120.570 -0.114 0.000 2.286 367 I HA -0.132 4.037 4.170 -0.001 0.000 0.248 367 I C 2.866 178.942 176.117 -0.069 0.000 1.115 367 I CA 1.908 63.168 61.300 -0.066 0.000 1.392 367 I CB -1.761 36.215 38.000 -0.040 0.000 1.065 367 I HN 0.427 nan 8.210 nan 0.000 0.418 368 A N 1.048 123.816 122.820 -0.087 0.000 1.933 368 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 368 A C 2.191 179.742 177.584 -0.055 0.000 1.175 368 A CA 1.175 53.173 52.037 -0.064 0.000 0.628 368 A CB -0.462 18.499 19.000 -0.066 0.000 0.814 368 A HN 0.275 nan 8.150 nan 0.000 0.444 369 I N 0.042 120.556 120.570 -0.093 0.000 2.202 369 I HA -0.192 3.977 4.170 -0.001 0.000 0.242 369 I C 2.187 178.281 176.117 -0.039 0.000 1.091 369 I CA 1.447 62.714 61.300 -0.056 0.000 1.368 369 I CB -1.388 36.521 38.000 -0.152 0.000 1.058 369 I HN 0.346 nan 8.210 nan 0.000 0.410 370 K N 0.836 121.199 120.400 -0.062 0.000 2.113 370 K HA -0.165 4.154 4.320 -0.001 0.000 0.208 370 K C 1.414 177.994 176.600 -0.033 0.000 1.047 370 K CA 1.327 57.586 56.287 -0.046 0.000 0.928 370 K CB -0.153 32.326 32.500 -0.035 0.000 0.716 370 K HN 0.387 nan 8.250 nan 0.000 0.446 371 N N 0.080 118.764 118.700 -0.027 0.000 2.280 371 N HA -0.028 4.712 4.740 -0.001 0.000 0.192 371 N C 0.166 175.668 175.510 -0.013 0.000 1.109 371 N CA 0.250 53.289 53.050 -0.018 0.000 0.855 371 N CB 0.133 38.610 38.487 -0.017 0.000 0.974 371 N HN 0.157 nan 8.380 nan 0.000 0.482 372 C N 2.336 121.633 119.300 -0.005 0.000 4.167 372 C HA -0.199 4.260 4.460 -0.001 0.000 0.302 372 C C 0.017 175.004 174.990 -0.005 0.000 1.384 372 C CA -0.501 58.521 59.018 0.006 0.000 2.041 372 C CB -2.350 25.389 27.740 -0.002 0.000 1.303 372 C HN 0.330 nan 8.230 nan 0.000 0.718 373 D N 1.586 121.981 120.400 -0.009 0.000 2.342 373 D HA 0.190 4.830 4.640 -0.001 0.000 0.260 373 D C -0.215 176.078 176.300 -0.012 0.000 1.278 373 D CA -1.577 52.416 54.000 -0.013 0.000 0.910 373 D CB 0.977 41.767 40.800 -0.017 0.000 1.079 373 D HN 0.448 nan 8.370 nan 0.000 0.496 374 P HA -0.087 nan 4.420 nan 0.000 0.226 374 P C 0.613 177.904 177.300 -0.015 0.000 1.153 374 P CA 0.712 63.802 63.100 -0.017 0.000 0.777 374 P CB 0.457 32.144 31.700 -0.021 0.000 0.794 375 K N -0.636 119.756 120.400 -0.014 0.000 2.379 375 K HA 0.236 4.555 4.320 -0.001 0.000 0.194 375 K C 1.382 177.975 176.600 -0.012 0.000 1.031 375 K CA -0.118 56.161 56.287 -0.013 0.000 1.037 375 K CB 0.162 32.654 32.500 -0.013 0.000 0.824 375 K HN 0.079 nan 8.250 nan 0.000 0.516 376 A N 1.646 124.459 122.820 -0.013 0.000 2.262 376 A HA 0.057 4.377 4.320 -0.001 0.000 0.273 376 A C -0.095 177.483 177.584 -0.010 0.000 1.202 376 A CA -0.297 51.731 52.037 -0.014 0.000 0.811 376 A CB 0.152 19.139 19.000 -0.021 0.000 1.159 376 A HN 0.068 nan 8.150 nan 0.000 0.505 377 D N -0.285 120.110 120.400 -0.009 0.000 2.399 377 D HA 0.241 4.881 4.640 -0.001 0.000 0.241 377 D C 0.051 176.351 176.300 0.001 0.000 1.133 377 D CA 0.049 54.048 54.000 -0.002 0.000 0.890 377 D CB 0.657 41.459 40.800 0.004 0.000 1.201 377 D HN 0.348 nan 8.370 nan 0.000 0.432 378 L N 2.760 123.987 121.223 0.006 0.000 2.490 378 L HA 0.037 4.377 4.340 -0.001 0.000 0.274 378 L C -0.385 176.505 176.870 0.034 0.000 1.201 378 L CA 0.671 55.520 54.840 0.015 0.000 0.869 378 L CB 0.097 42.162 42.059 0.011 0.000 1.123 378 L HN 0.249 nan 8.230 nan 0.000 0.484 379 M N 7.815 127.449 119.600 0.057 0.000 1.988 379 M HA 0.304 4.783 4.480 -0.001 0.000 0.243 379 M C -1.268 175.135 176.300 0.171 0.000 0.897 379 M CA -0.105 55.255 55.300 0.101 0.000 0.935 379 M CB 0.940 33.579 32.600 0.065 0.000 1.956 379 M HN 0.577 nan 8.290 nan 0.000 0.389 380 L N 2.858 124.173 121.223 0.152 0.000 2.305 380 L HA 0.522 4.862 4.340 -0.001 0.000 0.284 380 L C -1.448 175.562 176.870 0.234 0.000 1.013 380 L CA -0.759 54.176 54.840 0.158 0.000 0.819 380 L CB 1.561 43.654 42.059 0.056 0.000 1.227 380 L HN 0.562 nan 8.230 nan 0.000 0.417 381 Y N 5.204 125.611 120.300 0.178 0.000 2.383 381 Y HA 0.379 4.929 4.550 -0.001 0.000 0.344 381 Y C -0.572 175.377 175.900 0.081 0.000 0.986 381 Y CA -0.432 57.773 58.100 0.175 0.000 1.175 381 Y CB 1.212 39.871 38.460 0.332 0.000 1.152 381 Y HN 0.295 nan 8.280 nan 0.000 0.511 382 V N 7.055 126.780 119.914 -0.316 0.000 2.389 382 V HA 0.031 4.150 4.120 -0.001 0.000 0.264 382 V C 0.946 176.699 176.094 -0.570 0.000 1.049 382 V CA 0.475 62.594 62.300 -0.303 0.000 0.932 382 V CB 0.803 32.544 31.823 -0.137 0.000 1.011 382 V HN 0.997 nan 8.190 nan 0.000 0.475 383 S N 4.523 120.014 115.700 -0.348 0.000 2.414 383 S HA 0.073 4.543 4.470 -0.001 0.000 0.227 383 S C 0.599 175.220 174.600 0.036 0.000 1.022 383 S CA 1.049 59.153 58.200 -0.159 0.000 0.958 383 S CB -0.047 63.239 63.200 0.144 0.000 0.797 383 S HN 0.910 nan 8.310 nan 0.000 0.493 384 K N -1.259 119.211 120.400 0.116 0.000 2.999 384 K HA 0.248 4.568 4.320 -0.001 0.000 0.295 384 K C -1.656 175.065 176.600 0.202 0.000 1.082 384 K CA -0.956 55.426 56.287 0.158 0.000 0.816 384 K CB 0.127 32.740 32.500 0.188 0.000 1.492 384 K HN -0.024 nan 8.250 nan 0.000 0.362 385 M N 2.028 121.761 119.600 0.222 0.000 2.300 385 M HA 0.377 4.856 4.480 -0.001 0.000 0.348 385 M C -0.788 175.660 176.300 0.247 0.000 1.151 385 M CA -0.992 54.478 55.300 0.282 0.000 1.046 385 M CB 1.281 34.092 32.600 0.351 0.000 1.647 385 M HN 0.543 nan 8.290 nan 0.000 0.451 386 V N 5.991 126.003 119.914 0.162 0.000 2.459 386 V HA 0.574 4.694 4.120 -0.001 0.000 0.295 386 V C -2.422 173.484 176.094 -0.314 0.000 1.029 386 V CA -2.156 60.111 62.300 -0.055 0.000 0.874 386 V CB 2.248 34.039 31.823 -0.053 0.000 0.985 386 V HN 0.601 nan 8.190 nan 0.000 0.438 387 P HA 0.290 nan 4.420 nan 0.000 0.268 387 P C -0.621 176.308 177.300 -0.619 0.000 1.204 387 P CA 0.310 62.832 63.100 -0.964 0.000 0.768 387 P CB 0.633 31.883 31.700 -0.750 0.000 0.842 388 T N -2.034 112.151 114.554 -0.615 0.000 2.864 388 T HA 0.402 4.752 4.350 -0.001 0.000 0.289 388 T C 0.777 175.282 174.700 -0.326 0.000 1.082 388 T CA -0.424 61.388 62.100 -0.480 0.000 1.009 388 T CB 1.034 69.480 68.868 -0.702 0.000 1.234 388 T HN 0.188 nan 8.240 nan 0.000 0.526 389 S N -0.796 114.762 115.700 -0.236 0.000 2.631 389 S HA 0.113 4.582 4.470 -0.001 0.000 0.217 389 S C 0.438 174.975 174.600 -0.105 0.000 0.958 389 S CA -0.237 57.875 58.200 -0.146 0.000 0.920 389 S CB -0.407 62.733 63.200 -0.100 0.000 0.776 389 S HN 0.746 nan 8.310 nan 0.000 0.517 390 D N 3.163 123.485 120.400 -0.131 0.000 2.608 390 D HA 0.092 4.731 4.640 -0.001 0.000 0.224 390 D C -0.385 175.897 176.300 -0.030 0.000 1.123 390 D CA -0.062 53.905 54.000 -0.056 0.000 1.030 390 D CB -0.307 40.472 40.800 -0.035 0.000 1.093 390 D HN -0.024 nan 8.370 nan 0.000 0.497 391 K N 1.349 121.732 120.400 -0.028 0.000 4.971 391 K HA -0.214 4.106 4.320 -0.001 0.000 0.296 391 K C 1.125 177.732 176.600 0.012 0.000 0.724 391 K CA 0.960 57.239 56.287 -0.014 0.000 0.844 391 K CB -1.507 30.989 32.500 -0.005 0.000 1.993 391 K HN 0.748 nan 8.250 nan 0.000 0.384 392 G N 0.979 109.794 108.800 0.026 0.000 2.196 392 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.268 392 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.268 392 G C 0.116 175.171 174.900 0.259 0.000 0.975 392 G CA 0.580 45.758 45.100 0.129 0.000 0.648 392 G HN 0.451 nan 8.290 nan 0.000 0.538 393 R N -0.290 120.309 120.500 0.166 0.000 2.357 393 R HA 0.628 4.968 4.340 -0.001 0.000 0.296 393 R C -0.115 176.371 176.300 0.310 0.000 1.052 393 R CA -0.337 55.897 56.100 0.223 0.000 0.988 393 R CB 0.390 30.764 30.300 0.125 0.000 1.025 393 R HN 0.259 nan 8.270 nan 0.000 0.469 394 F N 1.949 121.864 119.950 -0.058 0.000 2.492 394 F HA 0.386 4.912 4.527 -0.001 0.000 0.327 394 F C -0.034 175.851 175.800 0.141 0.000 1.079 394 F CA -1.198 56.768 58.000 -0.056 0.000 0.967 394 F CB 1.401 40.396 39.000 -0.008 0.000 1.169 394 F HN 0.220 nan 8.300 nan 0.000 0.472 395 Y N 1.279 121.682 120.300 0.172 0.000 2.361 395 Y HA 0.555 5.104 4.550 -0.001 0.000 0.332 395 Y C 0.326 176.316 175.900 0.150 0.000 1.101 395 Y CA -2.203 55.973 58.100 0.127 0.000 1.137 395 Y CB 1.194 39.707 38.460 0.088 0.000 1.207 395 Y HN 0.578 nan 8.280 nan 0.000 0.463 396 A N 3.982 126.971 122.820 0.281 0.000 2.409 396 A HA 0.444 4.763 4.320 -0.001 0.000 0.262 396 A C -1.146 176.573 177.584 0.226 0.000 1.113 396 A CA -0.187 51.971 52.037 0.202 0.000 0.790 396 A CB -0.335 18.732 19.000 0.111 0.000 1.046 396 A HN 0.566 nan 8.150 nan 0.000 0.496 397 F N 2.498 122.488 119.950 0.067 0.000 2.469 397 F HA 0.702 5.229 4.527 -0.001 0.000 0.332 397 F C 0.407 176.219 175.800 0.020 0.000 1.103 397 F CA 0.407 58.437 58.000 0.048 0.000 0.979 397 F CB 1.625 40.657 39.000 0.052 0.000 1.137 397 F HN 0.885 nan 8.300 nan 0.000 0.463 398 G N 4.903 113.215 108.800 -0.814 0.000 2.494 398 G HA2 0.461 4.420 3.960 -0.001 0.000 0.308 398 G HA3 0.461 4.420 3.960 -0.001 0.000 0.308 398 G C -2.089 172.493 174.900 -0.530 0.000 1.263 398 G CA -1.162 43.591 45.100 -0.579 0.000 0.840 398 G HN 0.781 nan 8.290 nan 0.000 0.479 399 R N -0.548 119.792 120.500 -0.267 0.000 2.621 399 R HA 0.603 4.943 4.340 -0.001 0.000 0.284 399 R C -1.438 174.673 176.300 -0.315 0.000 0.998 399 R CA -0.554 55.330 56.100 -0.360 0.000 0.895 399 R CB 2.271 32.253 30.300 -0.529 0.000 1.195 399 R HN 0.384 nan 8.270 nan 0.000 0.450 400 V N 6.189 125.926 119.914 -0.296 0.000 2.372 400 V HA 0.184 4.304 4.120 -0.001 0.000 0.261 400 V C 0.289 176.242 176.094 -0.235 0.000 1.055 400 V CA 0.088 62.289 62.300 -0.165 0.000 0.930 400 V CB 0.614 32.372 31.823 -0.109 0.000 1.031 400 V HN 0.773 nan 8.190 nan 0.000 0.479 401 F N 2.844 122.785 119.950 -0.014 0.000 2.473 401 F HA 0.502 5.029 4.527 -0.001 0.000 0.294 401 F C 1.223 176.995 175.800 -0.048 0.000 1.103 401 F CA 0.751 58.731 58.000 -0.034 0.000 1.442 401 F CB 0.319 39.297 39.000 -0.036 0.000 1.097 401 F HN 0.566 nan 8.300 nan 0.000 0.547 402 A N -1.030 121.860 122.820 0.117 0.000 2.589 402 A HA 0.635 4.955 4.320 -0.001 0.000 0.296 402 A C 0.152 177.747 177.584 0.019 0.000 1.062 402 A CA -0.225 51.837 52.037 0.043 0.000 0.686 402 A CB 0.457 19.466 19.000 0.015 0.000 1.282 402 A HN 0.701 nan 8.150 nan 0.000 0.404 403 G N 0.004 108.804 108.800 0.000 0.000 2.642 403 G HA2 0.444 4.404 3.960 -0.001 0.000 0.231 403 G HA3 0.444 4.404 3.960 -0.001 0.000 0.231 403 G C 0.088 174.981 174.900 -0.012 0.000 1.338 403 G CA 0.367 45.463 45.100 -0.005 0.000 0.883 403 G HN 2.879 nan 8.290 nan 0.000 0.570 404 T N -3.604 110.942 114.554 -0.013 0.000 2.991 404 T HA 0.639 4.989 4.350 -0.001 0.000 0.303 404 T C -0.317 174.372 174.700 -0.018 0.000 1.015 404 T CA 0.264 62.352 62.100 -0.020 0.000 1.007 404 T CB 1.546 70.402 68.868 -0.021 0.000 1.034 404 T HN 2.088 nan 8.240 nan 0.000 0.446 405 V N 3.462 123.363 119.914 -0.022 0.000 2.732 405 V HA 0.667 4.786 4.120 -0.001 0.000 0.297 405 V C -0.562 175.519 176.094 -0.022 0.000 1.060 405 V CA -0.025 62.263 62.300 -0.021 0.000 1.038 405 V CB 0.817 32.626 31.823 -0.025 0.000 1.003 405 V HN 1.024 nan 8.190 nan 0.000 0.481 406 K N 3.836 124.224 120.400 -0.020 0.000 2.477 406 K HA 0.504 4.824 4.320 -0.001 0.000 0.255 406 K C -0.794 175.794 176.600 -0.019 0.000 0.952 406 K CA -0.614 55.661 56.287 -0.019 0.000 0.826 406 K CB 2.045 34.535 32.500 -0.017 0.000 1.331 406 K HN 0.554 nan 8.250 nan 0.000 0.437 407 S N 0.686 116.374 115.700 -0.020 0.000 2.533 407 S HA 0.299 4.769 4.470 -0.001 0.000 0.282 407 S C 0.928 175.519 174.600 -0.014 0.000 1.304 407 S CA 0.668 58.856 58.200 -0.019 0.000 1.063 407 S CB 0.551 63.740 63.200 -0.020 0.000 0.881 407 S HN 0.931 nan 8.310 nan 0.000 0.493 408 G N 2.360 111.153 108.800 -0.012 0.000 2.198 408 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.257 408 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.257 408 G C -0.166 174.727 174.900 -0.011 0.000 1.042 408 G CA 0.224 45.318 45.100 -0.009 0.000 0.791 408 G HN 0.738 nan 8.290 nan 0.000 0.502 409 Q N 0.150 119.941 119.800 -0.014 0.000 2.290 409 Q HA 0.483 4.823 4.340 -0.001 0.000 0.259 409 Q C 0.233 176.221 176.000 -0.021 0.000 0.941 409 Q CA -0.804 54.989 55.803 -0.016 0.000 0.912 409 Q CB 0.643 29.372 28.738 -0.016 0.000 1.244 409 Q HN 0.340 nan 8.270 nan 0.000 0.441 410 K N 2.475 122.862 120.400 -0.023 0.000 2.416 410 K HA 0.249 4.569 4.320 -0.001 0.000 0.283 410 K C -0.845 175.734 176.600 -0.035 0.000 1.037 410 K CA -0.068 56.200 56.287 -0.032 0.000 0.995 410 K CB 0.890 33.373 32.500 -0.028 0.000 0.938 410 K HN 0.379 nan 8.250 nan 0.000 0.475 411 V N 3.115 122.999 119.914 -0.050 0.000 3.130 411 V HA 0.391 4.510 4.120 -0.001 0.000 0.310 411 V C -0.577 175.472 176.094 -0.075 0.000 1.158 411 V CA -1.158 61.112 62.300 -0.049 0.000 1.029 411 V CB 2.292 34.092 31.823 -0.038 0.000 1.057 411 V HN 0.679 nan 8.190 nan 0.000 0.436 412 R N 1.855 122.308 120.500 -0.078 0.000 2.246 412 R HA 0.615 4.954 4.340 -0.001 0.000 0.332 412 R C -0.950 175.269 176.300 -0.136 0.000 0.974 412 R CA -0.299 55.724 56.100 -0.128 0.000 0.837 412 R CB 1.108 31.322 30.300 -0.143 0.000 1.145 412 R HN 0.569 nan 8.270 nan 0.000 0.467 413 I N 4.128 124.632 120.570 -0.110 0.000 2.301 413 I HA 0.098 4.267 4.170 -0.001 0.000 0.292 413 I C 0.103 176.177 176.117 -0.071 0.000 1.046 413 I CA -0.168 61.118 61.300 -0.023 0.000 1.282 413 I CB 0.971 39.028 38.000 0.095 0.000 1.409 413 I HN 0.385 nan 8.210 nan 0.000 0.484 414 Q N 5.519 125.243 119.800 -0.127 0.000 2.333 414 Q HA 0.487 4.826 4.340 -0.001 0.000 0.265 414 Q C 0.302 176.348 176.000 0.078 0.000 0.989 414 Q CA -0.645 55.042 55.803 -0.194 0.000 0.842 414 Q CB 2.256 30.809 28.738 -0.307 0.000 1.262 414 Q HN 0.782 nan 8.270 nan 0.000 0.451 415 G N 2.184 111.092 108.800 0.180 0.000 2.535 415 G HA2 0.184 4.144 3.960 -0.001 0.000 0.282 415 G HA3 0.184 4.144 3.960 -0.001 0.000 0.282 415 G C -1.805 173.190 174.900 0.159 0.000 1.350 415 G CA -1.247 43.968 45.100 0.191 0.000 1.039 415 G HN 0.381 nan 8.290 nan 0.000 0.509 416 P HA -0.008 nan 4.420 nan 0.000 0.231 416 P C 0.890 178.240 177.300 0.084 0.000 1.158 416 P CA 0.889 64.051 63.100 0.102 0.000 0.763 416 P CB 0.261 32.015 31.700 0.090 0.000 0.805 417 N N -3.136 115.623 118.700 0.098 0.000 2.210 417 N HA 0.011 4.750 4.740 -0.001 0.000 0.203 417 N C 0.144 175.678 175.510 0.039 0.000 1.175 417 N CA -0.230 52.854 53.050 0.057 0.000 0.894 417 N CB -0.044 38.477 38.487 0.055 0.000 1.041 417 N HN 0.161 nan 8.380 nan 0.000 0.506 418 Y N 2.498 122.782 120.300 -0.026 0.000 2.810 418 Y HA 0.055 4.604 4.550 -0.001 0.000 0.332 418 Y C -0.204 175.636 175.900 -0.101 0.000 1.243 418 Y CA 0.375 58.440 58.100 -0.058 0.000 1.537 418 Y CB 0.433 38.865 38.460 -0.047 0.000 1.265 418 Y HN -0.302 nan 8.280 nan 0.000 0.572 419 V N 9.165 128.531 119.914 -0.914 0.000 2.709 419 V HA 0.211 4.330 4.120 -0.001 0.000 0.308 419 V C -1.702 173.842 176.094 -0.916 0.000 1.062 419 V CA -1.764 60.129 62.300 -0.679 0.000 0.901 419 V CB 1.860 33.486 31.823 -0.329 0.000 1.003 419 V HN 0.643 nan 8.190 nan 0.000 0.425 420 P HA -0.251 nan 4.420 nan 0.000 0.219 420 P C 1.527 178.718 177.300 -0.182 0.000 1.159 420 P CA 2.413 65.396 63.100 -0.194 0.000 0.944 420 P CB 0.149 31.861 31.700 0.020 0.000 0.792 421 G N -0.388 108.323 108.800 -0.148 0.000 2.434 421 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.214 421 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.214 421 G C 0.354 175.181 174.900 -0.122 0.000 1.202 421 G CA 0.466 45.506 45.100 -0.099 0.000 0.788 421 G HN 0.294 nan 8.290 nan 0.000 0.539 422 K N 0.557 120.851 120.400 -0.176 0.000 2.326 422 K HA 0.223 4.542 4.320 -0.001 0.000 0.275 422 K C 0.248 176.745 176.600 -0.173 0.000 1.018 422 K CA -0.272 55.925 56.287 -0.149 0.000 0.962 422 K CB 1.573 33.989 32.500 -0.139 0.000 0.953 422 K HN 0.068 nan 8.250 nan 0.000 0.475 423 K N 2.777 123.136 120.400 -0.070 0.000 2.745 423 K HA -0.025 4.295 4.320 -0.001 0.000 0.223 423 K C -0.906 175.687 176.600 -0.012 0.000 1.057 423 K CA -0.148 56.140 56.287 0.001 0.000 1.217 423 K CB -0.338 32.156 32.500 -0.011 0.000 0.993 423 K HN 0.567 nan 8.250 nan 0.000 0.478 424 D N 0.054 120.436 120.400 -0.031 0.000 2.325 424 D HA 0.088 4.728 4.640 -0.001 0.000 0.251 424 D C -0.177 176.171 176.300 0.081 0.000 1.196 424 D CA -0.293 53.702 54.000 -0.009 0.000 0.866 424 D CB 0.935 41.720 40.800 -0.024 0.000 1.101 424 D HN 0.065 nan 8.370 nan 0.000 0.476 425 D N -0.101 120.280 120.400 -0.031 0.000 2.981 425 D HA -0.173 4.467 4.640 -0.001 0.000 0.203 425 D C -0.352 175.713 176.300 -0.393 0.000 1.049 425 D CA 0.202 54.188 54.000 -0.024 0.000 1.003 425 D CB -0.784 40.144 40.800 0.213 0.000 1.085 425 D HN 0.403 nan 8.370 nan 0.000 0.432 426 L N 0.514 121.439 121.223 -0.496 0.000 2.397 426 L HA 0.475 4.814 4.340 -0.001 0.000 0.271 426 L C -0.746 175.494 176.870 -1.050 0.000 1.148 426 L CA 0.335 54.819 54.840 -0.593 0.000 0.825 426 L CB 0.318 42.257 42.059 -0.200 0.000 1.117 426 L HN -0.067 nan 8.230 nan 0.000 0.456 427 F N 5.766 125.610 119.950 -0.177 0.000 2.915 427 F HA 0.394 4.920 4.527 -0.001 0.000 0.350 427 F C -0.445 175.166 175.800 -0.315 0.000 1.248 427 F CA -0.520 57.339 58.000 -0.234 0.000 1.084 427 F CB 0.818 39.671 39.000 -0.244 0.000 1.391 427 F HN 0.185 nan 8.300 nan 0.000 0.548 428 I N 4.088 124.573 120.570 -0.143 0.000 2.291 428 I HA 0.382 4.551 4.170 -0.001 0.000 0.290 428 I C -0.139 175.856 176.117 -0.203 0.000 1.050 428 I CA -0.317 60.891 61.300 -0.153 0.000 1.245 428 I CB 1.025 38.964 38.000 -0.102 0.000 1.405 428 I HN 0.410 nan 8.210 nan 0.000 0.478 429 K N 4.270 124.526 120.400 -0.239 0.000 2.466 429 K HA 0.800 5.119 4.320 -0.001 0.000 0.260 429 K C -1.103 175.430 176.600 -0.111 0.000 1.011 429 K CA -0.691 55.459 56.287 -0.228 0.000 0.871 429 K CB 2.124 34.350 32.500 -0.458 0.000 1.404 429 K HN 0.492 nan 8.250 nan 0.000 0.450 430 A N 2.057 124.843 122.820 -0.056 0.000 2.260 430 A HA 0.475 4.795 4.320 -0.001 0.000 0.308 430 A C -0.327 177.255 177.584 -0.003 0.000 1.254 430 A CA -0.575 51.447 52.037 -0.024 0.000 0.874 430 A CB -0.352 18.642 19.000 -0.011 0.000 1.153 430 A HN 0.689 nan 8.150 nan 0.000 0.527 431 I N 3.190 123.755 120.570 -0.008 0.000 2.752 431 I HA -0.131 4.038 4.170 -0.001 0.000 0.286 431 I C 1.488 177.605 176.117 -0.001 0.000 1.180 431 I CA 0.382 61.682 61.300 -0.000 0.000 1.404 431 I CB 0.570 38.563 38.000 -0.012 0.000 1.389 431 I HN 0.874 nan 8.210 nan 0.000 0.549 432 Q N 4.329 124.133 119.800 0.008 0.000 2.124 432 Q HA -0.078 4.261 4.340 -0.001 0.000 0.202 432 Q C 0.447 176.432 176.000 -0.024 0.000 0.977 432 Q CA 1.208 57.011 55.803 0.000 0.000 0.850 432 Q CB 0.163 28.909 28.738 0.012 0.000 0.901 432 Q HN 0.465 nan 8.270 nan 0.000 0.429 433 R N -1.114 119.357 120.500 -0.049 0.000 2.736 433 R HA 0.265 4.604 4.340 -0.001 0.000 0.250 433 R C -2.190 174.058 176.300 -0.087 0.000 1.098 433 R CA -0.188 55.873 56.100 -0.066 0.000 0.978 433 R CB 1.421 31.672 30.300 -0.082 0.000 1.263 433 R HN -0.130 nan 8.270 nan 0.000 0.460 434 V N 4.633 124.509 119.914 -0.064 0.000 2.427 434 V HA 0.723 4.842 4.120 -0.001 0.000 0.286 434 V C -0.269 175.792 176.094 -0.054 0.000 1.034 434 V CA -0.486 61.780 62.300 -0.058 0.000 0.893 434 V CB 1.498 33.299 31.823 -0.037 0.000 0.982 434 V HN 0.604 nan 8.190 nan 0.000 0.452 435 V N 3.161 123.045 119.914 -0.051 0.000 2.925 435 V HA 0.654 4.773 4.120 -0.001 0.000 0.311 435 V C -0.642 175.471 176.094 0.031 0.000 1.104 435 V CA -1.026 61.264 62.300 -0.018 0.000 0.954 435 V CB 1.882 33.679 31.823 -0.044 0.000 1.022 435 V HN 0.634 nan 8.190 nan 0.000 0.427 436 L N 4.147 125.402 121.223 0.053 0.000 2.380 436 L HA 0.462 4.801 4.340 -0.001 0.000 0.273 436 L C 0.218 177.159 176.870 0.118 0.000 1.138 436 L CA -0.249 54.639 54.840 0.081 0.000 0.832 436 L CB 1.022 43.128 42.059 0.078 0.000 1.124 436 L HN 0.539 nan 8.230 nan 0.000 0.454 437 M N 5.080 124.770 119.600 0.151 0.000 2.495 437 M HA 0.293 4.772 4.480 -0.001 0.000 0.346 437 M C -0.673 175.703 176.300 0.127 0.000 1.251 437 M CA -0.059 55.338 55.300 0.162 0.000 1.249 437 M CB 0.786 33.525 32.600 0.232 0.000 1.229 437 M HN 0.488 nan 8.290 nan 0.000 0.450 438 M N 2.289 121.966 119.600 0.129 0.000 2.852 438 M HA 0.336 4.815 4.480 -0.001 0.000 0.321 438 M C 1.109 177.473 176.300 0.107 0.000 1.337 438 M CA 0.021 55.398 55.300 0.129 0.000 1.406 438 M CB -0.573 32.124 32.600 0.162 0.000 1.152 438 M HN 0.902 nan 8.290 nan 0.000 0.508 439 G N 3.626 112.443 108.800 0.027 0.000 2.565 439 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.295 439 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.295 439 G C 0.719 175.519 174.900 -0.167 0.000 1.165 439 G CA 0.108 45.174 45.100 -0.056 0.000 0.977 439 G HN 0.671 nan 8.290 nan 0.000 0.546 440 R N -0.002 120.272 120.500 -0.376 0.000 2.334 440 R HA 0.360 4.700 4.340 -0.001 0.000 0.220 440 R C -0.126 175.749 176.300 -0.707 0.000 0.917 440 R CA 0.185 55.932 56.100 -0.589 0.000 1.073 440 R CB 0.039 29.878 30.300 -0.768 0.000 1.056 440 R HN 0.223 nan 8.270 nan 0.000 0.506 441 F N -0.080 119.870 119.950 0.000 0.000 2.579 441 F HA 0.413 4.940 4.527 -0.001 0.000 0.324 441 F C 0.290 176.121 175.800 0.052 0.000 1.058 441 F CA -1.596 56.417 58.000 0.022 0.000 0.944 441 F CB 1.369 40.378 39.000 0.015 0.000 1.245 441 F HN -0.341 nan 8.300 nan 0.000 0.477 442 V N -0.845 119.234 119.914 0.276 0.000 2.864 442 V HA 0.894 5.013 4.120 -0.001 0.000 0.314 442 V C -1.336 174.846 176.094 0.148 0.000 1.073 442 V CA -0.774 61.646 62.300 0.200 0.000 0.956 442 V CB 1.897 33.858 31.823 0.230 0.000 1.023 442 V HN 0.771 nan 8.190 nan 0.000 0.435 443 E N 3.363 123.624 120.200 0.101 0.000 2.283 443 E HA 0.601 4.950 4.350 -0.001 0.000 0.258 443 E C -3.020 173.602 176.600 0.037 0.000 0.893 443 E CA -2.018 54.421 56.400 0.064 0.000 0.798 443 E CB 2.316 32.052 29.700 0.061 0.000 1.242 443 E HN 0.652 nan 8.360 nan 0.000 0.414 444 P HA 0.127 nan 4.420 nan 0.000 0.265 444 P C -0.712 176.589 177.300 0.000 0.000 1.187 444 P CA 0.210 63.309 63.100 -0.001 0.000 0.766 444 P CB 0.476 32.173 31.700 -0.004 0.000 0.820 445 I N 1.681 122.246 120.570 -0.008 0.000 2.722 445 I HA 0.188 4.357 4.170 -0.001 0.000 0.295 445 I C 0.595 176.704 176.117 -0.014 0.000 1.161 445 I CA -0.736 60.559 61.300 -0.007 0.000 1.032 445 I CB 2.258 40.256 38.000 -0.003 0.000 1.244 445 I HN 0.212 nan 8.210 nan 0.000 0.421 446 D N 3.454 123.846 120.400 -0.014 0.000 2.092 446 D HA -0.111 4.528 4.640 -0.001 0.000 0.193 446 D C -0.272 176.017 176.300 -0.019 0.000 0.994 446 D CA 1.884 55.875 54.000 -0.016 0.000 0.828 446 D CB 0.069 40.859 40.800 -0.016 0.000 0.963 446 D HN 0.758 nan 8.370 nan 0.000 0.450 447 D N -2.362 118.026 120.400 -0.020 0.000 2.626 447 D HA 0.353 4.992 4.640 -0.001 0.000 0.278 447 D C -1.299 174.987 176.300 -0.024 0.000 1.211 447 D CA -0.894 53.093 54.000 -0.022 0.000 0.903 447 D CB 1.734 42.521 40.800 -0.021 0.000 1.408 447 D HN 0.040 nan 8.370 nan 0.000 0.454 448 C N 1.551 120.834 119.300 -0.028 0.000 2.620 448 C HA 0.620 5.080 4.460 -0.001 0.000 0.356 448 C C -2.787 172.180 174.990 -0.038 0.000 1.082 448 C CA -1.059 57.939 59.018 -0.033 0.000 1.293 448 C CB 0.796 28.514 27.740 -0.038 0.000 1.836 448 C HN 0.550 nan 8.230 nan 0.000 0.453 449 P HA 0.310 nan 4.420 nan 0.000 0.274 449 P C -0.215 177.055 177.300 -0.050 0.000 1.246 449 P CA 0.133 63.210 63.100 -0.038 0.000 0.795 449 P CB 0.765 32.445 31.700 -0.034 0.000 1.006 450 A N 0.501 123.295 122.820 -0.043 0.000 2.565 450 A HA 0.385 4.704 4.320 -0.001 0.000 0.237 450 A C 1.425 178.968 177.584 -0.068 0.000 1.053 450 A CA 1.014 53.021 52.037 -0.050 0.000 0.755 450 A CB -1.604 17.384 19.000 -0.020 0.000 0.980 450 A HN 0.896 nan 8.150 nan 0.000 0.506 451 G N 2.131 110.859 108.800 -0.119 0.000 2.218 451 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.216 451 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.216 451 G C 0.048 174.862 174.900 -0.142 0.000 0.994 451 G CA 0.241 45.268 45.100 -0.123 0.000 0.637 451 G HN 0.916 nan 8.290 nan 0.000 0.505 452 N N -0.300 118.315 118.700 -0.141 0.000 2.477 452 N HA 0.754 5.494 4.740 -0.001 0.000 0.284 452 N C -0.274 175.136 175.510 -0.165 0.000 1.182 452 N CA -0.523 52.457 53.050 -0.117 0.000 0.949 452 N CB 1.547 39.993 38.487 -0.069 0.000 1.204 452 N HN 0.218 nan 8.380 nan 0.000 0.526 453 I N 1.084 121.584 120.570 -0.117 0.000 2.437 453 I HA 0.496 4.666 4.170 -0.001 0.000 0.298 453 I C -0.641 175.412 176.117 -0.107 0.000 0.984 453 I CA -0.438 60.765 61.300 -0.161 0.000 1.214 453 I CB 1.049 39.012 38.000 -0.062 0.000 1.365 453 I HN 0.403 nan 8.210 nan 0.000 0.469 454 I N 3.353 123.816 120.570 -0.179 0.000 3.229 454 I HA 0.707 4.876 4.170 -0.001 0.000 0.313 454 I C -0.812 175.279 176.117 -0.043 0.000 1.317 454 I CA -0.229 61.033 61.300 -0.065 0.000 0.940 454 I CB 2.365 40.325 38.000 -0.067 0.000 1.315 454 I HN 0.508 nan 8.210 nan 0.000 0.484 455 G N 3.416 112.243 108.800 0.045 0.000 2.482 455 G HA2 0.714 4.673 3.960 -0.001 0.000 0.317 455 G HA3 0.714 4.673 3.960 -0.001 0.000 0.317 455 G C -1.943 172.954 174.900 -0.005 0.000 1.241 455 G CA -0.571 44.584 45.100 0.093 0.000 0.967 455 G HN 0.561 nan 8.290 nan 0.000 0.482 456 L N 1.556 122.775 121.223 -0.006 0.000 2.381 456 L HA 0.594 4.934 4.340 -0.001 0.000 0.274 456 L C -0.301 176.500 176.870 -0.116 0.000 0.988 456 L CA -1.218 53.586 54.840 -0.060 0.000 0.824 456 L CB 2.118 44.170 42.059 -0.013 0.000 1.263 456 L HN 0.390 nan 8.230 nan 0.000 0.410 457 V N 2.723 122.494 119.914 -0.239 0.000 2.483 457 V HA 0.835 4.954 4.120 -0.001 0.000 0.295 457 V C 0.718 176.780 176.094 -0.054 0.000 1.035 457 V CA 0.848 62.976 62.300 -0.287 0.000 0.896 457 V CB 1.236 32.688 31.823 -0.619 0.000 0.986 457 V HN 0.971 nan 8.190 nan 0.000 0.447 458 G N 5.453 114.284 108.800 0.051 0.000 2.184 458 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.206 458 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.206 458 G C 0.313 175.294 174.900 0.134 0.000 0.995 458 G CA 0.172 45.322 45.100 0.083 0.000 0.651 458 G HN 0.731 nan 8.290 nan 0.000 0.511 459 I N 1.398 122.044 120.570 0.126 0.000 3.603 459 I HA 0.139 4.309 4.170 -0.001 0.000 0.297 459 I C 2.019 178.170 176.117 0.057 0.000 1.269 459 I CA 0.856 62.260 61.300 0.174 0.000 1.361 459 I CB -0.908 37.166 38.000 0.124 0.000 1.063 459 I HN 0.102 nan 8.210 nan 0.000 0.448 460 D N 2.153 122.553 120.400 0.000 0.000 2.855 460 D HA -0.347 4.293 4.640 -0.001 0.000 0.242 460 D C 2.099 178.253 176.300 -0.244 0.000 1.105 460 D CA 2.572 56.515 54.000 -0.095 0.000 0.977 460 D CB -0.605 40.134 40.800 -0.101 0.000 1.241 460 D HN 0.559 nan 8.370 nan 0.000 0.500 461 Q N -0.217 119.327 119.800 -0.426 0.000 2.135 461 Q HA -0.175 4.164 4.340 -0.001 0.000 0.204 461 Q C 2.021 177.686 176.000 -0.558 0.000 0.981 461 Q CA 1.404 56.891 55.803 -0.526 0.000 0.856 461 Q CB -0.578 27.768 28.738 -0.654 0.000 0.902 461 Q HN 0.361 nan 8.270 nan 0.000 0.425 462 F N 0.409 120.149 119.950 -0.350 0.000 2.451 462 F HA 0.166 4.692 4.527 -0.001 0.000 0.299 462 F C 0.709 176.179 175.800 -0.549 0.000 1.101 462 F CA 0.361 57.967 58.000 -0.656 0.000 1.436 462 F CB -0.107 38.615 39.000 -0.463 0.000 1.074 462 F HN 0.121 nan 8.300 nan 0.000 0.553 463 L N -0.842 120.295 121.223 -0.143 0.000 2.518 463 L HA 0.651 4.990 4.340 -0.001 0.000 0.257 463 L C -1.598 175.226 176.870 -0.076 0.000 0.980 463 L CA -0.905 53.892 54.840 -0.070 0.000 0.837 463 L CB 2.153 44.217 42.059 0.007 0.000 1.410 463 L HN -0.167 nan 8.230 nan 0.000 0.410 464 L N 4.227 125.420 121.223 -0.051 0.000 2.528 464 L HA 0.541 4.880 4.340 -0.001 0.000 0.267 464 L C -0.284 176.569 176.870 -0.029 0.000 0.961 464 L CA -0.709 54.095 54.840 -0.060 0.000 0.866 464 L CB 1.860 43.854 42.059 -0.109 0.000 1.248 464 L HN 0.768 nan 8.230 nan 0.000 0.404 465 K N -0.431 119.970 120.400 0.002 0.000 4.374 465 K HA -0.149 4.171 4.320 -0.001 0.000 0.507 465 K C -0.013 176.588 176.600 0.001 0.000 1.823 465 K CA 1.037 57.335 56.287 0.019 0.000 0.896 465 K CB -0.879 31.620 32.500 -0.002 0.000 1.416 465 K HN 0.788 nan 8.250 nan 0.000 0.485 466 T N -0.585 113.966 114.554 -0.006 0.000 2.856 466 T HA 0.528 4.877 4.350 -0.001 0.000 0.306 466 T C 0.582 175.251 174.700 -0.052 0.000 1.062 466 T CA 0.229 62.280 62.100 -0.082 0.000 1.083 466 T CB 1.349 70.212 68.868 -0.009 0.000 0.984 466 T HN 0.911 nan 8.240 nan 0.000 0.542 467 G N 0.164 108.890 108.800 -0.123 0.000 2.490 467 G HA2 0.581 4.540 3.960 -0.001 0.000 0.308 467 G HA3 0.581 4.540 3.960 -0.001 0.000 0.308 467 G C -1.346 173.573 174.900 0.032 0.000 1.286 467 G CA -0.772 44.325 45.100 -0.005 0.000 0.825 467 G HN 0.904 nan 8.290 nan 0.000 0.479 468 T N 0.137 114.738 114.554 0.078 0.000 3.105 468 T HA 0.532 4.881 4.350 -0.001 0.000 0.321 468 T C -1.493 173.245 174.700 0.063 0.000 1.135 468 T CA -0.370 61.804 62.100 0.122 0.000 1.053 468 T CB 1.631 70.604 68.868 0.176 0.000 1.133 468 T HN 0.395 nan 8.240 nan 0.000 0.463 469 L N 3.724 124.988 121.223 0.067 0.000 2.305 469 L HA 0.745 5.084 4.340 -0.001 0.000 0.284 469 L C 0.639 177.531 176.870 0.037 0.000 1.013 469 L CA -0.232 54.625 54.840 0.028 0.000 0.819 469 L CB 1.563 43.634 42.059 0.020 0.000 1.227 469 L HN 0.922 nan 8.230 nan 0.000 0.417 470 T N -2.162 112.397 114.554 0.009 0.000 2.901 470 T HA 0.446 4.796 4.350 -0.001 0.000 0.293 470 T C 0.230 174.930 174.700 0.001 0.000 1.084 470 T CA -0.459 61.655 62.100 0.023 0.000 1.008 470 T CB 1.849 70.747 68.868 0.049 0.000 1.170 470 T HN 0.320 nan 8.240 nan 0.000 0.509 471 T N 0.479 115.039 114.554 0.010 0.000 3.182 471 T HA 0.394 4.744 4.350 -0.001 0.000 0.277 471 T C 0.007 174.714 174.700 0.011 0.000 1.013 471 T CA -0.244 61.857 62.100 0.001 0.000 0.900 471 T CB -0.386 68.481 68.868 -0.001 0.000 1.098 471 T HN 0.751 nan 8.240 nan 0.000 0.543 472 S N 0.520 116.236 115.700 0.028 0.000 2.478 472 S HA 0.371 4.841 4.470 -0.001 0.000 0.312 472 S C 0.853 175.493 174.600 0.065 0.000 1.094 472 S CA -0.616 57.611 58.200 0.044 0.000 1.081 472 S CB 1.689 64.922 63.200 0.055 0.000 1.007 472 S HN 0.484 nan 8.310 nan 0.000 0.475 473 E N 2.828 123.065 120.200 0.061 0.000 2.204 473 E HA -0.099 4.250 4.350 -0.001 0.000 0.194 473 E C 0.784 177.453 176.600 0.115 0.000 0.989 473 E CA 1.312 57.760 56.400 0.080 0.000 0.824 473 E CB 0.061 29.795 29.700 0.056 0.000 0.756 473 E HN 0.746 nan 8.360 nan 0.000 0.477 474 T N 0.525 115.143 114.554 0.106 0.000 3.081 474 T HA 0.213 4.562 4.350 -0.001 0.000 0.255 474 T C 0.484 175.300 174.700 0.192 0.000 1.113 474 T CA 0.373 62.548 62.100 0.125 0.000 1.082 474 T CB 0.206 69.130 68.868 0.095 0.000 0.939 474 T HN 0.246 nan 8.240 nan 0.000 0.506 475 A N 1.971 124.909 122.820 0.197 0.000 2.561 475 A HA 0.179 4.499 4.320 -0.001 0.000 0.251 475 A C 0.161 177.960 177.584 0.358 0.000 1.062 475 A CA 0.196 52.395 52.037 0.269 0.000 0.761 475 A CB -0.303 18.808 19.000 0.185 0.000 0.986 475 A HN 0.517 nan 8.150 nan 0.000 0.510 476 H N 2.095 121.370 119.070 0.341 0.000 2.505 476 H HA 0.342 4.897 4.556 -0.001 0.000 0.358 476 H C 0.388 175.840 175.328 0.207 0.000 1.304 476 H CA -0.278 55.849 56.048 0.132 0.000 1.393 476 H CB 0.605 30.197 29.762 -0.283 0.000 1.591 476 H HN 0.713 nan 8.280 nan 0.000 0.595 477 N N 1.660 120.229 118.700 -0.220 0.000 2.479 477 N HA 0.111 4.850 4.740 -0.001 0.000 0.285 477 N C -0.605 174.949 175.510 0.074 0.000 1.075 477 N CA -0.247 52.803 53.050 -0.000 0.000 0.967 477 N CB 0.773 39.229 38.487 -0.051 0.000 1.137 477 N HN 0.518 nan 8.380 nan 0.000 0.472 478 M N 1.549 121.264 119.600 0.192 0.000 2.245 478 M HA 0.037 4.516 4.480 -0.001 0.000 0.344 478 M C 0.820 177.163 176.300 0.072 0.000 1.170 478 M CA 0.045 55.432 55.300 0.145 0.000 1.135 478 M CB 0.435 33.096 32.600 0.103 0.000 1.574 478 M HN 0.343 nan 8.290 nan 0.000 0.452 479 K N 2.407 122.799 120.400 -0.014 0.000 2.386 479 K HA -0.098 4.222 4.320 -0.001 0.000 0.255 479 K C -0.258 176.384 176.600 0.070 0.000 1.134 479 K CA 0.090 56.371 56.287 -0.009 0.000 1.203 479 K CB 0.080 32.539 32.500 -0.069 0.000 0.768 479 K HN 0.596 nan 8.250 nan 0.000 0.501 480 V N 4.059 124.022 119.914 0.083 0.000 2.306 480 V HA 0.217 4.337 4.120 -0.001 0.000 0.286 480 V C 0.065 176.216 176.094 0.094 0.000 1.404 480 V CA -1.051 61.321 62.300 0.119 0.000 1.467 480 V CB -0.395 31.483 31.823 0.093 0.000 1.459 480 V HN 0.809 nan 8.190 nan 0.000 0.518 481 M N 1.037 120.662 119.600 0.042 0.000 4.043 481 M HA -0.187 4.292 4.480 -0.001 0.000 0.159 481 M C 0.166 176.563 176.300 0.161 0.000 1.531 481 M CA 1.414 56.760 55.300 0.076 0.000 1.096 481 M CB -0.719 31.884 32.600 0.005 0.000 1.348 481 M HN 0.770 nan 8.290 nan 0.000 0.193 482 K N 3.940 124.618 120.400 0.463 0.000 2.234 482 K HA 0.662 4.981 4.320 -0.001 0.000 0.282 482 K C -0.474 177.406 176.600 2.133 0.000 1.039 482 K CA -0.359 56.359 56.287 0.719 0.000 0.928 482 K CB 0.651 33.194 32.500 0.072 0.000 1.039 482 K HN 0.414 nan 8.250 nan 0.000 0.470 483 F N -1.330 106.423 119.950 -20.329 0.000 2.563 483 F HA 0.425 4.952 4.527 -0.001 0.000 0.316 483 F C 0.228 174.772 175.800 -2.094 0.000 1.076 483 F CA -1.626 19.927 58.000 -60.746 0.000 0.921 483 F CB 1.053 32.694 39.000 -12.265 0.000 1.209 483 F HN 0.405 nan 8.300 nan 0.000 0.462 484 S N 0.606 116.888 115.700 0.970 0.000 2.568 484 S HA 0.381 4.850 4.470 -0.001 0.000 0.282 484 S C 0.413 175.183 174.600 0.283 0.000 1.338 484 S CA 0.151 58.595 58.200 0.407 0.000 1.045 484 S CB 0.668 64.135 63.200 0.445 0.000 0.873 484 S HN 1.422 nan 8.310 nan 0.000 0.516 485 V N 1.069 121.038 119.914 0.091 0.000 3.199 485 V HA 0.490 4.609 4.120 -0.001 0.000 0.331 485 V C -0.041 176.084 176.094 0.052 0.000 1.446 485 V CA -0.431 61.915 62.300 0.078 0.000 1.120 485 V CB -0.025 31.813 31.823 0.026 0.000 1.051 485 V HN 0.539 nan 8.190 nan 0.000 0.495 486 S N 2.165 117.909 115.700 0.073 0.000 2.482 486 S HA 0.654 5.123 4.470 -0.001 0.000 0.303 486 S C -2.809 171.846 174.600 0.090 0.000 1.091 486 S CA -1.049 57.189 58.200 0.063 0.000 1.057 486 S CB 1.981 65.209 63.200 0.046 0.000 1.031 486 S HN 0.217 nan 8.310 nan 0.000 0.485 487 P HA 0.085 nan 4.420 nan 0.000 0.226 487 P C 0.931 178.297 177.300 0.109 0.000 1.783 487 P CA -0.142 63.033 63.100 0.126 0.000 0.980 487 P CB -0.527 31.255 31.700 0.135 0.000 1.967 488 V N -1.668 118.307 119.914 0.102 0.000 3.129 488 V HA 0.015 4.135 4.120 -0.001 0.000 0.259 488 V C 0.770 176.941 176.094 0.129 0.000 1.116 488 V CA 0.598 62.947 62.300 0.080 0.000 1.127 488 V CB -0.457 31.416 31.823 0.084 0.000 0.742 488 V HN -0.046 nan 8.190 nan 0.000 0.474 489 V N 3.196 123.200 119.914 0.149 0.000 2.348 489 V HA 0.455 4.575 4.120 -0.001 0.000 0.270 489 V C -0.268 175.916 176.094 0.150 0.000 1.037 489 V CA -0.273 62.121 62.300 0.158 0.000 0.872 489 V CB 0.588 32.493 31.823 0.138 0.000 1.002 489 V HN 0.651 nan 8.190 nan 0.000 0.464 490 Q N 4.021 123.927 119.800 0.177 0.000 2.375 490 Q HA 0.851 5.191 4.340 -0.001 0.000 0.271 490 Q C -1.024 175.027 176.000 0.085 0.000 1.074 490 Q CA -0.876 55.013 55.803 0.142 0.000 0.808 490 Q CB 3.160 32.021 28.738 0.204 0.000 1.327 490 Q HN 0.650 nan 8.270 nan 0.000 0.441 491 V N -2.566 117.356 119.914 0.014 0.000 3.130 491 V HA 0.971 5.090 4.120 -0.001 0.000 0.310 491 V C -1.005 175.052 176.094 -0.063 0.000 1.158 491 V CA -1.136 61.138 62.300 -0.043 0.000 1.029 491 V CB 1.647 33.449 31.823 -0.036 0.000 1.057 491 V HN 0.889 nan 8.190 nan 0.000 0.436 492 A N 1.614 124.388 122.820 -0.077 0.000 2.309 492 A HA 0.836 5.155 4.320 -0.001 0.000 0.298 492 A C -0.464 177.101 177.584 -0.032 0.000 1.165 492 A CA -0.574 51.427 52.037 -0.060 0.000 0.821 492 A CB 1.045 20.008 19.000 -0.062 0.000 1.102 492 A HN 1.444 nan 8.150 nan 0.000 0.500 493 V N 2.557 122.468 119.914 -0.004 0.000 2.487 493 V HA 0.563 4.682 4.120 -0.001 0.000 0.298 493 V C -0.113 175.999 176.094 0.031 0.000 1.028 493 V CA -0.439 61.863 62.300 0.003 0.000 0.860 493 V CB 1.395 33.212 31.823 -0.010 0.000 0.991 493 V HN 1.031 nan 8.190 nan 0.000 0.427 494 E N 3.042 123.251 120.200 0.015 0.000 2.340 494 E HA 0.647 4.996 4.350 -0.001 0.000 0.273 494 E C -1.049 175.552 176.600 0.002 0.000 0.891 494 E CA -0.776 55.640 56.400 0.027 0.000 0.757 494 E CB 2.688 32.409 29.700 0.034 0.000 1.231 494 E HN 0.605 nan 8.360 nan 0.000 0.439 495 V N 1.607 121.519 119.914 -0.003 0.000 2.686 495 V HA 0.263 4.383 4.120 -0.001 0.000 0.295 495 V C 0.819 176.911 176.094 -0.003 0.000 1.055 495 V CA -0.185 62.107 62.300 -0.012 0.000 1.050 495 V CB 1.287 33.097 31.823 -0.021 0.000 0.984 495 V HN 0.787 nan 8.190 nan 0.000 0.482 496 K N 2.010 122.407 120.400 -0.006 0.000 2.288 496 K HA 0.024 4.343 4.320 -0.001 0.000 0.201 496 K C 0.750 177.348 176.600 -0.003 0.000 1.048 496 K CA 0.818 57.103 56.287 -0.003 0.000 0.956 496 K CB 0.025 32.523 32.500 -0.004 0.000 0.746 496 K HN 0.791 nan 8.250 nan 0.000 0.461 497 N N 0.293 118.990 118.700 -0.006 0.000 2.518 497 N HA 0.159 4.899 4.740 -0.001 0.000 0.254 497 N C 0.309 175.816 175.510 -0.005 0.000 0.979 497 N CA 0.025 53.071 53.050 -0.006 0.000 0.930 497 N CB 1.555 40.036 38.487 -0.009 0.000 1.152 497 N HN -0.009 nan 8.380 nan 0.000 0.505 498 A N 4.269 127.089 122.820 -0.000 0.000 1.929 498 A HA -0.283 4.037 4.320 -0.001 0.000 0.221 498 A C 1.735 179.317 177.584 -0.002 0.000 1.211 498 A CA 1.692 53.731 52.037 0.003 0.000 0.657 498 A CB -0.470 18.534 19.000 0.006 0.000 0.827 498 A HN 0.817 nan 8.150 nan 0.000 0.462 499 N N 0.279 118.976 118.700 -0.006 0.000 2.348 499 N HA -0.123 4.617 4.740 -0.001 0.000 0.185 499 N C 0.502 176.003 175.510 -0.016 0.000 1.019 499 N CA 1.416 54.461 53.050 -0.010 0.000 0.880 499 N CB -0.388 38.093 38.487 -0.010 0.000 0.965 499 N HN 0.541 nan 8.380 nan 0.000 0.437 500 D N 0.743 121.132 120.400 -0.019 0.000 2.349 500 D HA 0.054 4.693 4.640 -0.001 0.000 0.224 500 D C 2.013 178.290 176.300 -0.038 0.000 1.029 500 D CA -0.092 53.891 54.000 -0.028 0.000 0.879 500 D CB 0.192 40.975 40.800 -0.029 0.000 0.906 500 D HN 0.258 nan 8.370 nan 0.000 0.528 501 L N 1.047 122.252 121.223 -0.030 0.000 2.010 501 L HA -0.213 4.127 4.340 -0.001 0.000 0.219 501 L C -0.376 176.459 176.870 -0.058 0.000 1.077 501 L CA 1.805 56.621 54.840 -0.040 0.000 0.773 501 L CB -1.828 40.228 42.059 -0.006 0.000 0.892 501 L HN 0.055 nan 8.230 nan 0.000 0.436 502 P HA -0.198 nan 4.420 nan 0.000 0.216 502 P C 1.277 178.538 177.300 -0.066 0.000 1.150 502 P CA 1.494 64.566 63.100 -0.047 0.000 0.843 502 P CB 0.015 31.693 31.700 -0.036 0.000 0.787 503 K N -1.189 119.173 120.400 -0.064 0.000 2.062 503 K HA -0.085 4.234 4.320 -0.001 0.000 0.205 503 K C 1.956 178.506 176.600 -0.083 0.000 1.051 503 K CA 0.866 57.112 56.287 -0.068 0.000 0.941 503 K CB -0.828 31.640 32.500 -0.053 0.000 0.719 503 K HN 0.066 nan 8.250 nan 0.000 0.440 504 L N 1.232 122.395 121.223 -0.100 0.000 1.994 504 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 504 L C 1.999 178.758 176.870 -0.185 0.000 1.071 504 L CA 1.570 56.327 54.840 -0.139 0.000 0.745 504 L CB -0.525 41.427 42.059 -0.178 0.000 0.892 504 L HN -0.113 nan 8.230 nan 0.000 0.431 505 V N 0.100 119.891 119.914 -0.205 0.000 2.332 505 V HA -0.288 3.831 4.120 -0.001 0.000 0.248 505 V C 2.706 178.731 176.094 -0.116 0.000 1.055 505 V CA 1.943 64.136 62.300 -0.179 0.000 1.038 505 V CB -0.824 30.940 31.823 -0.098 0.000 0.651 505 V HN 0.582 nan 8.190 nan 0.000 0.450 506 E N 1.014 121.150 120.200 -0.107 0.000 2.072 506 E HA -0.094 4.256 4.350 -0.001 0.000 0.191 506 E C 2.215 178.741 176.600 -0.125 0.000 0.985 506 E CA 1.551 57.883 56.400 -0.114 0.000 0.801 506 E CB -0.848 28.780 29.700 -0.121 0.000 0.750 506 E HN 0.455 nan 8.360 nan 0.000 0.452 507 G N 0.888 109.626 108.800 -0.103 0.000 2.440 507 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.218 507 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.218 507 G C 1.613 176.451 174.900 -0.105 0.000 1.154 507 G CA 1.003 46.065 45.100 -0.063 0.000 0.767 507 G HN 0.321 nan 8.290 nan 0.000 0.552 508 L N -0.051 121.106 121.223 -0.111 0.000 2.079 508 L HA -0.111 4.228 4.340 -0.001 0.000 0.210 508 L C 2.979 179.782 176.870 -0.111 0.000 1.081 508 L CA 1.453 56.228 54.840 -0.108 0.000 0.752 508 L CB -0.318 41.691 42.059 -0.085 0.000 0.896 508 L HN 0.207 nan 8.230 nan 0.000 0.433 509 K N -0.209 120.131 120.400 -0.101 0.000 2.057 509 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 509 K C 2.271 178.794 176.600 -0.129 0.000 1.050 509 K CA 1.146 57.381 56.287 -0.087 0.000 0.935 509 K CB -0.132 32.322 32.500 -0.077 0.000 0.715 509 K HN 0.246 nan 8.250 nan 0.000 0.439 510 R N 0.737 121.130 120.500 -0.178 0.000 2.073 510 R HA -0.139 4.201 4.340 -0.001 0.000 0.234 510 R C 2.413 178.507 176.300 -0.343 0.000 1.134 510 R CA 1.228 57.206 56.100 -0.203 0.000 0.952 510 R CB -0.563 29.631 30.300 -0.175 0.000 0.850 510 R HN 0.107 nan 8.270 nan 0.000 0.433 511 L N 0.934 121.785 121.223 -0.619 0.000 1.990 511 L HA -0.208 4.131 4.340 -0.001 0.000 0.213 511 L C 1.980 178.685 176.870 -0.274 0.000 1.072 511 L CA 1.966 56.340 54.840 -0.777 0.000 0.755 511 L CB -0.649 41.109 42.059 -0.502 0.000 0.889 511 L HN 0.022 nan 8.230 nan 0.000 0.432 512 S N -0.356 115.252 115.700 -0.153 0.000 2.370 512 S HA -0.213 4.257 4.470 -0.001 0.000 0.226 512 S C 1.886 176.475 174.600 -0.017 0.000 1.033 512 S CA 1.699 59.873 58.200 -0.044 0.000 1.011 512 S CB -0.362 62.831 63.200 -0.011 0.000 0.852 512 S HN 0.489 nan 8.310 nan 0.000 0.457 513 K N 1.315 121.692 120.400 -0.038 0.000 2.147 513 K HA -0.047 4.272 4.320 -0.001 0.000 0.205 513 K C 2.425 179.032 176.600 0.011 0.000 1.049 513 K CA 1.503 57.785 56.287 -0.008 0.000 0.936 513 K CB -0.216 32.271 32.500 -0.021 0.000 0.722 513 K HN 0.499 nan 8.250 nan 0.000 0.446 514 S N -0.074 115.635 115.700 0.015 0.000 2.496 514 S HA -0.035 4.435 4.470 -0.001 0.000 0.224 514 S C 0.386 175.046 174.600 0.099 0.000 0.996 514 S CA 0.170 58.419 58.200 0.082 0.000 0.927 514 S CB 0.227 63.528 63.200 0.169 0.000 0.774 514 S HN 0.074 nan 8.310 nan 0.000 0.524 515 D N 1.154 121.602 120.400 0.080 0.000 2.620 515 D HA 0.412 5.051 4.640 -0.001 0.000 0.252 515 D C -2.588 173.781 176.300 0.114 0.000 1.207 515 D CA -2.163 51.912 54.000 0.125 0.000 0.884 515 D CB 2.344 43.244 40.800 0.166 0.000 1.262 515 D HN -0.137 nan 8.370 nan 0.000 0.552 516 P HA 0.056 nan 4.420 nan 0.000 0.222 516 P C 1.012 178.371 177.300 0.098 0.000 1.153 516 P CA 0.527 63.693 63.100 0.109 0.000 0.798 516 P CB 0.383 32.158 31.700 0.125 0.000 0.796 517 C N -1.667 117.691 119.300 0.096 0.000 2.697 517 C HA 0.259 4.718 4.460 -0.001 0.000 0.267 517 C C 1.217 176.338 174.990 0.219 0.000 1.278 517 C CA -0.313 58.752 59.018 0.079 0.000 1.708 517 C CB -0.961 26.712 27.740 -0.112 0.000 1.860 517 C HN 0.057 nan 8.230 nan 0.000 0.589 518 V N 1.948 122.008 119.914 0.244 0.000 2.644 518 V HA 0.656 4.775 4.120 -0.001 0.000 0.295 518 V C -0.704 175.474 176.094 0.140 0.000 1.053 518 V CA -0.310 62.118 62.300 0.213 0.000 0.987 518 V CB 1.611 33.503 31.823 0.116 0.000 1.006 518 V HN 0.309 nan 8.190 nan 0.000 0.472 519 L N 5.912 127.218 121.223 0.139 0.000 2.410 519 L HA 0.879 5.218 4.340 -0.001 0.000 0.270 519 L C -0.351 176.615 176.870 0.160 0.000 0.983 519 L CA 0.244 55.180 54.840 0.160 0.000 0.822 519 L CB 2.276 44.454 42.059 0.198 0.000 1.285 519 L HN 0.881 nan 8.230 nan 0.000 0.409 520 T N 1.691 116.344 114.554 0.165 0.000 2.886 520 T HA 0.811 5.160 4.350 -0.001 0.000 0.292 520 T C -0.914 173.912 174.700 0.210 0.000 1.012 520 T CA -0.463 61.700 62.100 0.105 0.000 0.982 520 T CB 1.392 70.290 68.868 0.049 0.000 1.018 520 T HN 0.820 nan 8.240 nan 0.000 0.451 521 Y N 0.419 120.761 120.300 0.070 0.000 2.713 521 Y HA 0.777 5.327 4.550 -0.001 0.000 0.335 521 Y C -1.232 174.688 175.900 0.033 0.000 1.222 521 Y CA -1.850 56.283 58.100 0.054 0.000 1.061 521 Y CB 1.366 39.853 38.460 0.044 0.000 1.314 521 Y HN 0.778 nan 8.280 nan 0.000 0.453 522 M N 3.425 123.116 119.600 0.151 0.000 2.144 522 M HA 0.499 4.978 4.480 -0.001 0.000 0.356 522 M C -0.045 176.326 176.300 0.118 0.000 1.217 522 M CA -0.076 55.214 55.300 -0.018 0.000 1.087 522 M CB 1.004 33.578 32.600 -0.044 0.000 1.609 522 M HN 0.826 nan 8.290 nan 0.000 0.467 523 S N 2.446 118.144 115.700 -0.003 0.000 2.645 523 S HA 0.241 4.711 4.470 -0.001 0.000 0.266 523 S C 0.842 175.470 174.600 0.045 0.000 1.258 523 S CA -0.299 57.956 58.200 0.092 0.000 0.990 523 S CB 0.907 64.121 63.200 0.023 0.000 0.967 523 S HN 0.820 nan 8.310 nan 0.000 0.556 524 E N 0.765 120.989 120.200 0.040 0.000 2.265 524 E HA -0.059 4.291 4.350 -0.001 0.000 0.196 524 E C 1.164 177.768 176.600 0.007 0.000 0.996 524 E CA 1.312 57.719 56.400 0.012 0.000 0.832 524 E CB -0.400 29.298 29.700 -0.003 0.000 0.756 524 E HN 0.602 nan 8.360 nan 0.000 0.491 525 S N -0.816 114.890 115.700 0.011 0.000 2.614 525 S HA 0.306 4.775 4.470 -0.001 0.000 0.230 525 S C 0.869 175.468 174.600 -0.002 0.000 0.952 525 S CA 0.299 58.509 58.200 0.017 0.000 0.949 525 S CB 0.614 63.843 63.200 0.047 0.000 0.786 525 S HN 0.503 nan 8.310 nan 0.000 0.478 526 G N 2.004 110.784 108.800 -0.032 0.000 2.176 526 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.252 526 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.252 526 G C -0.382 174.447 174.900 -0.118 0.000 1.024 526 G CA -0.215 44.842 45.100 -0.072 0.000 0.755 526 G HN 0.529 nan 8.290 nan 0.000 0.507 527 E N 0.018 120.146 120.200 -0.120 0.000 2.191 527 E HA 0.368 4.717 4.350 -0.001 0.000 0.274 527 E C -0.320 176.148 176.600 -0.220 0.000 0.948 527 E CA -0.967 55.354 56.400 -0.131 0.000 0.802 527 E CB 1.037 30.699 29.700 -0.064 0.000 1.137 527 E HN 0.385 nan 8.360 nan 0.000 0.397 528 H N 2.573 121.594 119.070 -0.081 0.000 2.819 528 H HA 0.152 4.707 4.556 -0.001 0.000 0.303 528 H C -0.169 175.053 175.328 -0.177 0.000 1.058 528 H CA 0.150 56.130 56.048 -0.113 0.000 1.471 528 H CB 0.453 30.171 29.762 -0.073 0.000 1.480 528 H HN 0.228 nan 8.280 nan 0.000 0.517 529 I N 4.574 125.003 120.570 -0.235 0.000 2.377 529 I HA 0.148 4.317 4.170 -0.001 0.000 0.293 529 I C 0.254 176.222 176.117 -0.250 0.000 0.987 529 I CA -0.687 60.401 61.300 -0.354 0.000 1.185 529 I CB 1.713 39.206 38.000 -0.845 0.000 1.341 529 I HN 0.177 nan 8.210 nan 0.000 0.455 530 V N 5.305 125.148 119.914 -0.118 0.000 2.487 530 V HA 0.768 4.888 4.120 -0.001 0.000 0.298 530 V C 0.112 176.207 176.094 0.002 0.000 1.028 530 V CA -0.608 61.666 62.300 -0.043 0.000 0.860 530 V CB 1.684 33.489 31.823 -0.030 0.000 0.991 530 V HN 0.884 nan 8.190 nan 0.000 0.427 531 A N 3.562 126.417 122.820 0.059 0.000 2.371 531 A HA 0.963 5.283 4.320 -0.001 0.000 0.311 531 A C 0.053 177.709 177.584 0.121 0.000 1.068 531 A CA -0.105 51.999 52.037 0.112 0.000 0.744 531 A CB 1.756 20.872 19.000 0.192 0.000 1.239 531 A HN 1.056 nan 8.150 nan 0.000 0.435 532 G N -0.378 108.502 108.800 0.133 0.000 2.600 532 G HA2 0.485 4.444 3.960 -0.001 0.000 0.303 532 G HA3 0.485 4.444 3.960 -0.001 0.000 0.303 532 G C 0.484 175.570 174.900 0.310 0.000 1.253 532 G CA 0.208 45.456 45.100 0.247 0.000 0.974 532 G HN 0.506 nan 8.290 nan 0.000 0.483 533 T N -0.432 114.390 114.554 0.446 0.000 2.821 533 T HA 0.213 4.563 4.350 -0.001 0.000 0.267 533 T C 1.080 175.897 174.700 0.195 0.000 1.046 533 T CA 1.688 63.902 62.100 0.191 0.000 1.139 533 T CB -0.239 68.613 68.868 -0.027 0.000 0.871 533 T HN 0.936 nan 8.240 nan 0.000 0.454 534 G N -0.545 108.380 108.800 0.209 0.000 2.687 534 G HA2 0.478 4.437 3.960 -0.001 0.000 0.291 534 G HA3 0.478 4.437 3.960 -0.001 0.000 0.291 534 G C -0.251 174.728 174.900 0.131 0.000 1.420 534 G CA -0.573 44.622 45.100 0.159 0.000 0.796 534 G HN 0.004 nan 8.290 nan 0.000 0.485 535 E N -0.612 119.648 120.200 0.099 0.000 2.058 535 E HA -0.127 4.223 4.350 -0.001 0.000 0.194 535 E C 2.402 179.044 176.600 0.069 0.000 0.997 535 E CA 1.271 57.717 56.400 0.077 0.000 0.801 535 E CB -0.071 29.667 29.700 0.063 0.000 0.746 535 E HN 0.320 nan 8.360 nan 0.000 0.450 536 L N 0.317 121.583 121.223 0.072 0.000 2.017 536 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 536 L C 2.309 179.237 176.870 0.096 0.000 1.073 536 L CA 2.108 56.996 54.840 0.081 0.000 0.745 536 L CB -0.727 41.376 42.059 0.074 0.000 0.894 536 L HN 0.203 nan 8.230 nan 0.000 0.432 537 H N -0.856 118.159 119.070 -0.092 0.000 2.319 537 H HA -0.206 4.349 4.556 -0.001 0.000 0.299 537 H C 2.009 177.334 175.328 -0.005 0.000 1.092 537 H CA 2.407 58.329 56.048 -0.210 0.000 1.302 537 H CB -0.460 29.171 29.762 -0.217 0.000 1.373 537 H HN 0.328 nan 8.280 nan 0.000 0.497 538 L N 1.041 122.200 121.223 -0.107 0.000 2.042 538 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 538 L C 2.428 179.258 176.870 -0.067 0.000 1.076 538 L CA 2.480 57.241 54.840 -0.132 0.000 0.749 538 L CB -1.063 40.991 42.059 -0.008 0.000 0.893 538 L HN 0.594 nan 8.230 nan 0.000 0.432 539 E N -0.531 119.669 120.200 0.001 0.000 2.058 539 E HA -0.254 4.095 4.350 -0.001 0.000 0.194 539 E C 2.134 178.753 176.600 0.031 0.000 0.997 539 E CA 1.763 58.176 56.400 0.021 0.000 0.801 539 E CB -0.080 29.644 29.700 0.039 0.000 0.746 539 E HN 0.504 nan 8.360 nan 0.000 0.450 540 I N 1.244 121.873 120.570 0.097 0.000 2.226 540 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 540 I C 2.649 178.798 176.117 0.053 0.000 1.100 540 I CA 0.773 62.137 61.300 0.106 0.000 1.374 540 I CB -1.595 36.607 38.000 0.336 0.000 1.057 540 I HN 0.389 nan 8.210 nan 0.000 0.413 541 C N 0.738 120.036 119.300 -0.003 0.000 2.413 541 C HA -0.151 4.308 4.460 -0.001 0.000 0.276 541 C C 2.942 177.952 174.990 0.033 0.000 1.236 541 C CA 0.540 59.550 59.018 -0.014 0.000 1.735 541 C CB -1.159 26.482 27.740 -0.165 0.000 2.031 541 C HN 0.453 nan 8.230 nan 0.000 0.474 542 L N 0.173 121.399 121.223 0.004 0.000 2.141 542 L HA -0.200 4.139 4.340 -0.001 0.000 0.209 542 L C 2.751 179.641 176.870 0.032 0.000 1.094 542 L CA 1.431 56.282 54.840 0.017 0.000 0.763 542 L CB -0.756 41.304 42.059 0.001 0.000 0.908 542 L HN 0.498 nan 8.230 nan 0.000 0.437 543 Q N -0.064 119.749 119.800 0.022 0.000 2.016 543 Q HA -0.198 4.142 4.340 -0.001 0.000 0.200 543 Q C 1.820 177.840 176.000 0.034 0.000 0.978 543 Q CA 1.615 57.425 55.803 0.012 0.000 0.833 543 Q CB -0.121 28.602 28.738 -0.026 0.000 0.895 543 Q HN 0.419 nan 8.270 nan 0.000 0.427 544 D N 0.600 121.020 120.400 0.033 0.000 2.178 544 D HA -0.141 4.499 4.640 -0.001 0.000 0.201 544 D C 1.755 178.092 176.300 0.061 0.000 0.980 544 D CA 0.620 54.619 54.000 -0.001 0.000 0.842 544 D CB -0.136 40.669 40.800 0.009 0.000 0.948 544 D HN 0.077 nan 8.370 nan 0.000 0.472 545 L N 1.114 122.458 121.223 0.202 0.000 1.988 545 L HA -0.123 4.217 4.340 -0.001 0.000 0.207 545 L C 2.144 179.079 176.870 0.108 0.000 1.071 545 L CA 1.889 56.861 54.840 0.220 0.000 0.744 545 L CB -0.717 41.417 42.059 0.124 0.000 0.893 545 L HN -0.045 nan 8.230 nan 0.000 0.433 546 E N -1.897 118.345 120.200 0.070 0.000 2.077 546 E HA -0.323 4.026 4.350 -0.001 0.000 0.193 546 E C 2.181 178.807 176.600 0.043 0.000 0.989 546 E CA 1.543 57.969 56.400 0.044 0.000 0.800 546 E CB -0.152 29.571 29.700 0.040 0.000 0.746 546 E HN 0.723 nan 8.360 nan 0.000 0.452 547 H N -0.210 118.840 119.070 -0.033 0.000 2.329 547 H HA -0.023 4.533 4.556 -0.001 0.000 0.306 547 H C 1.297 176.585 175.328 -0.067 0.000 1.062 547 H CA 2.037 58.050 56.048 -0.058 0.000 1.364 547 H CB 0.310 30.022 29.762 -0.082 0.000 1.409 547 H HN 0.170 nan 8.280 nan 0.000 0.519 548 D N -1.175 119.187 120.400 -0.064 0.000 2.805 548 D HA -0.036 4.604 4.640 -0.001 0.000 0.271 548 D C 2.167 178.528 176.300 0.102 0.000 1.166 548 D CA 0.446 54.384 54.000 -0.103 0.000 1.004 548 D CB -0.634 40.029 40.800 -0.229 0.000 1.136 548 D HN 0.371 nan 8.370 nan 0.000 0.444 549 H N 1.376 120.566 119.070 0.200 0.000 2.267 549 H HA -0.122 4.434 4.556 -0.001 0.000 0.291 549 H C 1.834 177.173 175.328 0.019 0.000 1.094 549 H CA 2.012 58.135 56.048 0.125 0.000 1.227 549 H CB -0.353 29.442 29.762 0.055 0.000 1.351 549 H HN 0.189 nan 8.280 nan 0.000 0.483 550 A N -0.455 122.441 122.820 0.126 0.000 2.014 550 A HA 0.331 4.650 4.320 -0.001 0.000 0.210 550 A C 1.963 179.546 177.584 -0.001 0.000 1.188 550 A CA 0.968 53.021 52.037 0.027 0.000 0.731 550 A CB -0.236 18.765 19.000 0.002 0.000 0.858 550 A HN 0.532 nan 8.150 nan 0.000 0.464 551 G N -0.616 108.175 108.800 -0.015 0.000 2.356 551 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.296 551 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.296 551 G C -0.067 174.792 174.900 -0.068 0.000 1.022 551 G CA 0.627 45.678 45.100 -0.082 0.000 0.961 551 G HN 1.120 nan 8.290 nan 0.000 0.510 552 V N -0.882 119.006 119.914 -0.043 0.000 3.087 552 V HA 0.529 4.649 4.120 -0.001 0.000 0.306 552 V C -2.284 173.797 176.094 -0.022 0.000 1.187 552 V CA -1.779 60.500 62.300 -0.035 0.000 0.999 552 V CB 2.580 34.383 31.823 -0.034 0.000 1.049 552 V HN 0.058 nan 8.190 nan 0.000 0.431 553 P HA 0.290 nan 4.420 nan 0.000 0.265 553 P C -1.124 176.170 177.300 -0.011 0.000 1.193 553 P CA 0.370 63.465 63.100 -0.010 0.000 0.765 553 P CB 0.324 32.019 31.700 -0.009 0.000 0.823 554 L N 2.246 123.466 121.223 -0.006 0.000 2.371 554 L HA 0.562 4.902 4.340 -0.001 0.000 0.262 554 L C 0.163 177.030 176.870 -0.006 0.000 1.006 554 L CA -0.980 53.855 54.840 -0.009 0.000 0.818 554 L CB 2.424 44.477 42.059 -0.009 0.000 1.354 554 L HN 0.204 nan 8.230 nan 0.000 0.415 555 K N 2.412 122.808 120.400 -0.007 0.000 2.307 555 K HA 0.562 4.881 4.320 -0.001 0.000 0.263 555 K C -1.289 175.304 176.600 -0.011 0.000 0.973 555 K CA -0.611 55.672 56.287 -0.007 0.000 0.846 555 K CB 1.236 33.732 32.500 -0.005 0.000 1.100 555 K HN 0.366 nan 8.250 nan 0.000 0.438 556 I N 3.372 123.933 120.570 -0.015 0.000 2.412 556 I HA 0.329 4.498 4.170 -0.001 0.000 0.296 556 I C 0.005 176.102 176.117 -0.034 0.000 0.987 556 I CA -0.334 60.952 61.300 -0.023 0.000 1.180 556 I CB 1.076 39.065 38.000 -0.018 0.000 1.340 556 I HN 0.784 nan 8.210 nan 0.000 0.455 557 S N 5.772 121.441 115.700 -0.052 0.000 2.588 557 S HA 0.692 5.161 4.470 -0.001 0.000 0.269 557 S C -3.188 171.331 174.600 -0.135 0.000 1.157 557 S CA -1.467 56.687 58.200 -0.076 0.000 0.824 557 S CB 1.906 65.069 63.200 -0.062 0.000 1.126 557 S HN 0.258 nan 8.310 nan 0.000 0.464 558 P HA 0.285 nan 4.420 nan 0.000 0.271 558 P C -2.392 174.669 177.300 -0.398 0.000 1.226 558 P CA -0.778 62.070 63.100 -0.419 0.000 0.765 558 P CB -0.274 31.156 31.700 -0.450 0.000 0.835 559 P HA -0.063 nan 4.420 nan 0.000 0.265 559 P C -0.289 176.960 177.300 -0.085 0.000 1.193 559 P CA 0.333 63.326 63.100 -0.179 0.000 0.765 559 P CB 0.435 32.109 31.700 -0.043 0.000 0.823 560 V N 4.416 124.331 119.914 0.001 0.000 2.655 560 V HA -0.007 4.113 4.120 -0.001 0.000 0.300 560 V C 0.848 177.014 176.094 0.120 0.000 1.044 560 V CA -0.024 62.323 62.300 0.077 0.000 1.095 560 V CB 1.033 32.902 31.823 0.077 0.000 0.952 560 V HN 0.276 nan 8.190 nan 0.000 0.485 561 V N 4.796 124.810 119.914 0.166 0.000 2.439 561 V HA 0.617 4.736 4.120 -0.001 0.000 0.282 561 V C 0.587 176.631 176.094 -0.084 0.000 1.039 561 V CA -0.488 61.826 62.300 0.024 0.000 0.913 561 V CB 1.390 33.198 31.823 -0.025 0.000 0.983 561 V HN 1.009 nan 8.190 nan 0.000 0.460 562 A N 4.653 127.386 122.820 -0.145 0.000 2.327 562 A HA 0.774 5.093 4.320 -0.001 0.000 0.283 562 A C -1.038 176.458 177.584 -0.146 0.000 1.127 562 A CA -0.159 51.856 52.037 -0.037 0.000 0.810 562 A CB 0.316 19.350 19.000 0.057 0.000 1.066 562 A HN 0.728 nan 8.150 nan 0.000 0.492 563 Y N 0.194 120.643 120.300 0.250 0.000 2.659 563 Y HA 0.760 5.310 4.550 -0.001 0.000 0.333 563 Y C 0.350 176.225 175.900 -0.042 0.000 1.064 563 Y CA -0.728 57.543 58.100 0.286 0.000 1.141 563 Y CB 1.667 40.373 38.460 0.409 0.000 1.316 563 Y HN 0.669 nan 8.280 nan 0.000 0.509 564 R N 0.519 121.037 120.500 0.030 0.000 2.750 564 R HA 0.416 4.755 4.340 -0.001 0.000 0.281 564 R C -1.539 174.776 176.300 0.025 0.000 0.972 564 R CA -1.075 54.891 56.100 -0.222 0.000 0.912 564 R CB 1.496 31.402 30.300 -0.656 0.000 1.187 564 R HN 0.628 nan 8.270 nan 0.000 0.464 565 E N 0.776 120.985 120.200 0.016 0.000 2.133 565 E HA 0.390 4.740 4.350 -0.001 0.000 0.274 565 E C -0.534 176.264 176.600 0.331 0.000 0.930 565 E CA -0.420 56.103 56.400 0.205 0.000 0.770 565 E CB 2.215 31.947 29.700 0.054 0.000 1.104 565 E HN 0.390 nan 8.360 nan 0.000 0.403 566 T N 0.866 115.639 114.554 0.365 0.000 2.716 566 T HA 0.581 4.931 4.350 -0.001 0.000 0.286 566 T C -1.381 173.261 174.700 -0.096 0.000 1.052 566 T CA -0.653 61.580 62.100 0.221 0.000 1.024 566 T CB 1.576 70.498 68.868 0.090 0.000 1.349 566 T HN 0.279 nan 8.240 nan 0.000 0.525 567 V N 0.829 120.640 119.914 -0.171 0.000 2.656 567 V HA 0.730 4.849 4.120 -0.001 0.000 0.307 567 V C 0.532 176.536 176.094 -0.149 0.000 1.051 567 V CA -0.632 61.478 62.300 -0.318 0.000 0.893 567 V CB 1.633 33.236 31.823 -0.367 0.000 0.999 567 V HN 0.879 nan 8.190 nan 0.000 0.426 568 E N 2.780 122.896 120.200 -0.140 0.000 2.318 568 E HA 0.179 4.529 4.350 -0.001 0.000 0.193 568 E C 0.810 177.362 176.600 -0.079 0.000 0.998 568 E CA 1.121 57.472 56.400 -0.081 0.000 0.859 568 E CB 0.321 29.982 29.700 -0.064 0.000 0.812 568 E HN 1.131 nan 8.360 nan 0.000 0.492 569 S N -1.940 113.696 115.700 -0.107 0.000 2.790 569 S HA 0.325 4.795 4.470 -0.001 0.000 0.292 569 S C -0.561 173.971 174.600 -0.114 0.000 1.197 569 S CA -1.081 57.061 58.200 -0.096 0.000 0.851 569 S CB 0.977 64.125 63.200 -0.087 0.000 1.217 569 S HN 0.071 nan 8.310 nan 0.000 0.526 570 E N 0.654 120.791 120.200 -0.105 0.000 2.390 570 E HA 0.376 4.726 4.350 -0.001 0.000 0.261 570 E C -0.623 175.903 176.600 -0.123 0.000 1.076 570 E CA -0.403 55.932 56.400 -0.108 0.000 0.905 570 E CB 0.665 30.305 29.700 -0.100 0.000 0.984 570 E HN 0.564 nan 8.360 nan 0.000 0.427 571 S N 1.911 117.538 115.700 -0.122 0.000 2.544 571 S HA -0.071 4.398 4.470 -0.001 0.000 0.290 571 S C 1.209 175.711 174.600 -0.163 0.000 1.276 571 S CA 0.254 58.363 58.200 -0.151 0.000 1.075 571 S CB 0.654 63.783 63.200 -0.118 0.000 0.849 571 S HN 0.629 nan 8.310 nan 0.000 0.494 572 S N 2.193 117.766 115.700 -0.212 0.000 2.493 572 S HA -0.142 4.328 4.470 -0.001 0.000 0.243 572 S C 0.478 174.965 174.600 -0.187 0.000 0.991 572 S CA 0.633 58.716 58.200 -0.195 0.000 0.957 572 S CB -0.545 62.520 63.200 -0.224 0.000 0.756 572 S HN 0.883 nan 8.310 nan 0.000 0.521 573 Q N -1.528 118.147 119.800 -0.209 0.000 2.578 573 Q HA 0.388 4.727 4.340 -0.001 0.000 0.284 573 Q C -1.592 174.359 176.000 -0.082 0.000 0.960 573 Q CA -1.005 54.712 55.803 -0.144 0.000 0.809 573 Q CB 0.341 28.968 28.738 -0.184 0.000 1.462 573 Q HN -0.023 nan 8.270 nan 0.000 0.392 574 T N 1.567 116.130 114.554 0.015 0.000 2.908 574 T HA 0.339 4.688 4.350 -0.001 0.000 0.301 574 T C 0.033 174.844 174.700 0.185 0.000 1.019 574 T CA 0.656 62.813 62.100 0.095 0.000 1.152 574 T CB 0.319 69.282 68.868 0.158 0.000 0.966 574 T HN 0.586 nan 8.240 nan 0.000 0.540 575 A N 3.564 126.475 122.820 0.151 0.000 2.328 575 A HA 0.626 4.945 4.320 -0.001 0.000 0.284 575 A C -0.430 177.197 177.584 0.072 0.000 1.160 575 A CA -0.600 51.568 52.037 0.217 0.000 0.818 575 A CB 0.237 19.325 19.000 0.147 0.000 1.087 575 A HN 0.670 nan 8.150 nan 0.000 0.504 576 L N 2.387 123.543 121.223 -0.112 0.000 2.362 576 L HA 0.769 5.109 4.340 -0.001 0.000 0.275 576 L C -0.404 176.181 176.870 -0.476 0.000 0.998 576 L CA 0.284 54.836 54.840 -0.480 0.000 0.820 576 L CB 1.973 43.646 42.059 -0.644 0.000 1.270 576 L HN 0.579 nan 8.230 nan 0.000 0.415 577 S N 3.535 119.026 115.700 -0.349 0.000 2.546 577 S HA 0.727 5.197 4.470 -0.001 0.000 0.274 577 S C -1.407 173.077 174.600 -0.193 0.000 1.121 577 S CA -0.952 57.122 58.200 -0.210 0.000 0.887 577 S CB 2.076 65.228 63.200 -0.080 0.000 1.094 577 S HN 0.667 nan 8.310 nan 0.000 0.474 578 K N -0.353 119.968 120.400 -0.132 0.000 2.340 578 K HA 0.755 5.074 4.320 -0.001 0.000 0.244 578 K C -0.179 176.396 176.600 -0.042 0.000 0.973 578 K CA -0.723 55.509 56.287 -0.092 0.000 0.828 578 K CB 1.435 33.877 32.500 -0.097 0.000 1.226 578 K HN 0.574 nan 8.250 nan 0.000 0.437 579 S N 0.326 116.019 115.700 -0.011 0.000 2.624 579 S HA 0.179 4.649 4.470 -0.001 0.000 0.263 579 S C -1.846 172.763 174.600 0.015 0.000 1.287 579 S CA -1.017 57.193 58.200 0.016 0.000 0.990 579 S CB 0.849 64.079 63.200 0.050 0.000 0.950 579 S HN 0.503 nan 8.310 nan 0.000 0.561 580 P HA -0.103 nan 4.420 nan 0.000 0.216 580 P C 1.246 178.566 177.300 0.033 0.000 1.153 580 P CA 1.080 64.195 63.100 0.024 0.000 0.858 580 P CB -0.098 31.623 31.700 0.035 0.000 0.789 581 N N -0.562 118.182 118.700 0.075 0.000 2.192 581 N HA -0.175 4.565 4.740 -0.001 0.000 0.188 581 N C 0.729 176.273 175.510 0.057 0.000 1.013 581 N CA 1.255 54.397 53.050 0.153 0.000 0.863 581 N CB -0.301 38.339 38.487 0.256 0.000 0.990 581 N HN 0.153 nan 8.380 nan 0.000 0.430 582 K N -2.693 117.695 120.400 -0.019 0.000 3.553 582 K HA -0.214 4.105 4.320 -0.001 0.000 0.303 582 K C 0.236 176.712 176.600 -0.208 0.000 1.327 582 K CA 1.109 57.316 56.287 -0.133 0.000 0.983 582 K CB -1.500 30.884 32.500 -0.193 0.000 1.275 582 K HN 0.448 nan 8.250 nan 0.000 0.453 583 H N -0.168 118.908 119.070 0.009 0.000 2.547 583 H HA 0.141 4.696 4.556 -0.001 0.000 0.272 583 H C 0.138 175.512 175.328 0.077 0.000 0.971 583 H CA 0.638 56.719 56.048 0.055 0.000 1.245 583 H CB 0.281 30.090 29.762 0.078 0.000 1.440 583 H HN 0.236 nan 8.280 nan 0.000 0.540 584 N N 0.725 119.517 118.700 0.154 0.000 2.361 584 N HA 0.476 5.215 4.740 -0.001 0.000 0.302 584 N C -0.817 174.717 175.510 0.039 0.000 1.074 584 N CA -0.760 52.359 53.050 0.115 0.000 0.850 584 N CB 2.108 40.666 38.487 0.118 0.000 1.228 584 N HN 0.020 nan 8.380 nan 0.000 0.491 585 R N 1.052 121.569 120.500 0.029 0.000 2.725 585 R HA 0.593 4.932 4.340 -0.001 0.000 0.277 585 R C -1.121 175.137 176.300 -0.069 0.000 0.987 585 R CA -0.752 55.299 56.100 -0.081 0.000 0.901 585 R CB 2.089 32.294 30.300 -0.159 0.000 1.207 585 R HN 0.456 nan 8.270 nan 0.000 0.463 586 I N 2.133 122.592 120.570 -0.185 0.000 2.545 586 I HA 0.372 4.541 4.170 -0.001 0.000 0.292 586 I C -1.211 174.765 176.117 -0.235 0.000 1.040 586 I CA -0.845 60.403 61.300 -0.087 0.000 1.068 586 I CB 1.821 39.802 38.000 -0.031 0.000 1.251 586 I HN 0.470 nan 8.210 nan 0.000 0.424 587 Y N 6.838 127.125 120.300 -0.022 0.000 2.341 587 Y HA 0.666 5.216 4.550 -0.001 0.000 0.338 587 Y C -0.302 175.580 175.900 -0.031 0.000 0.965 587 Y CA -0.909 57.179 58.100 -0.020 0.000 1.108 587 Y CB 1.660 40.108 38.460 -0.019 0.000 1.180 587 Y HN 0.371 nan 8.280 nan 0.000 0.458 588 L N 0.124 121.406 121.223 0.099 0.000 2.765 588 L HA 0.799 5.138 4.340 -0.001 0.000 0.263 588 L C -1.770 175.119 176.870 0.031 0.000 1.068 588 L CA -1.463 53.400 54.840 0.038 0.000 0.903 588 L CB 2.234 44.295 42.059 0.005 0.000 1.512 588 L HN 0.382 nan 8.230 nan 0.000 0.404 589 K N 0.355 120.753 120.400 -0.003 0.000 2.502 589 K HA 0.901 5.220 4.320 -0.001 0.000 0.257 589 K C -1.370 175.217 176.600 -0.023 0.000 0.938 589 K CA -0.642 55.634 56.287 -0.019 0.000 0.819 589 K CB 2.494 34.968 32.500 -0.042 0.000 1.333 589 K HN 1.002 nan 8.250 nan 0.000 0.434 590 A N 1.887 124.696 122.820 -0.019 0.000 2.320 590 A HA 0.688 5.007 4.320 -0.001 0.000 0.334 590 A C -0.962 176.590 177.584 -0.052 0.000 1.147 590 A CA -0.447 51.588 52.037 -0.003 0.000 0.820 590 A CB 0.879 19.908 19.000 0.049 0.000 1.218 590 A HN 0.848 nan 8.150 nan 0.000 0.482 591 E N 0.267 120.439 120.200 -0.047 0.000 2.407 591 E HA 0.578 4.927 4.350 -0.001 0.000 0.279 591 E C -3.189 173.382 176.600 -0.048 0.000 1.012 591 E CA -2.156 54.199 56.400 -0.076 0.000 0.800 591 E CB 1.496 31.131 29.700 -0.108 0.000 1.276 591 E HN 0.271 nan 8.360 nan 0.000 0.452 592 P HA 0.189 nan 4.420 nan 0.000 0.271 592 P C -0.640 176.665 177.300 0.008 0.000 1.216 592 P CA -0.048 63.042 63.100 -0.016 0.000 0.776 592 P CB 0.499 32.185 31.700 -0.024 0.000 0.881 593 I N 2.031 122.636 120.570 0.058 0.000 2.353 593 I HA 0.168 4.338 4.170 -0.001 0.000 0.293 593 I C 0.938 177.116 176.117 0.103 0.000 0.992 593 I CA -0.625 60.745 61.300 0.117 0.000 1.268 593 I CB 0.794 38.883 38.000 0.148 0.000 1.387 593 I HN 0.316 nan 8.210 nan 0.000 0.478 594 D N 5.600 126.077 120.400 0.129 0.000 2.472 594 D HA -0.095 4.544 4.640 -0.001 0.000 0.237 594 D C 1.080 177.441 176.300 0.102 0.000 1.141 594 D CA 0.158 54.226 54.000 0.113 0.000 0.875 594 D CB 1.169 42.059 40.800 0.150 0.000 1.192 594 D HN 0.492 nan 8.370 nan 0.000 0.450 595 E N 2.509 122.762 120.200 0.088 0.000 2.086 595 E HA -0.231 4.118 4.350 -0.001 0.000 0.200 595 E C 1.503 178.156 176.600 0.088 0.000 1.012 595 E CA 1.083 57.533 56.400 0.084 0.000 0.812 595 E CB 0.030 29.771 29.700 0.068 0.000 0.743 595 E HN 0.584 nan 8.360 nan 0.000 0.453 596 E N 0.066 120.334 120.200 0.113 0.000 2.153 596 E HA -0.123 4.227 4.350 -0.001 0.000 0.194 596 E C 2.132 178.767 176.600 0.059 0.000 0.988 596 E CA 0.690 57.179 56.400 0.148 0.000 0.811 596 E CB 0.127 29.979 29.700 0.254 0.000 0.746 596 E HN 0.107 nan 8.360 nan 0.000 0.466 597 V N 0.331 120.235 119.914 -0.016 0.000 2.346 597 V HA -0.175 3.945 4.120 -0.001 0.000 0.244 597 V C 2.382 178.408 176.094 -0.113 0.000 1.037 597 V CA 1.500 63.655 62.300 -0.241 0.000 1.029 597 V CB -0.445 31.304 31.823 -0.124 0.000 0.663 597 V HN 0.157 nan 8.190 nan 0.000 0.454 598 S N 0.342 116.043 115.700 0.001 0.000 2.370 598 S HA -0.176 4.293 4.470 -0.001 0.000 0.226 598 S C 1.908 176.543 174.600 0.059 0.000 1.033 598 S CA 1.411 59.636 58.200 0.042 0.000 1.011 598 S CB -0.387 62.856 63.200 0.072 0.000 0.852 598 S HN 0.303 nan 8.310 nan 0.000 0.457 599 L N 1.453 122.714 121.223 0.064 0.000 2.083 599 L HA 0.028 4.368 4.340 -0.001 0.000 0.209 599 L C 2.579 179.483 176.870 0.056 0.000 1.083 599 L CA 1.591 56.480 54.840 0.082 0.000 0.752 599 L CB -1.583 40.528 42.059 0.087 0.000 0.899 599 L HN 0.306 nan 8.230 nan 0.000 0.433 600 A N -0.708 122.112 122.820 -0.000 0.000 1.933 600 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 600 A C 2.327 179.909 177.584 -0.003 0.000 1.175 600 A CA 1.631 53.651 52.037 -0.028 0.000 0.628 600 A CB -0.545 18.320 19.000 -0.225 0.000 0.814 600 A HN 0.387 nan 8.150 nan 0.000 0.444 601 I N -0.708 119.869 120.570 0.011 0.000 2.193 601 I HA -0.218 3.951 4.170 -0.001 0.000 0.240 601 I C 2.454 178.630 176.117 0.098 0.000 1.084 601 I CA 1.499 62.856 61.300 0.096 0.000 1.365 601 I CB -0.428 37.668 38.000 0.161 0.000 1.064 601 I HN 0.372 nan 8.210 nan 0.000 0.410 602 E N 0.755 121.016 120.200 0.102 0.000 2.153 602 E HA -0.173 4.177 4.350 -0.001 0.000 0.194 602 E C 1.252 177.908 176.600 0.092 0.000 0.988 602 E CA 0.929 57.397 56.400 0.112 0.000 0.811 602 E CB -0.060 29.729 29.700 0.149 0.000 0.746 602 E HN 0.444 nan 8.360 nan 0.000 0.466 603 N N -0.647 118.100 118.700 0.078 0.000 2.270 603 N HA 0.040 4.779 4.740 -0.001 0.000 0.198 603 N C 0.608 176.147 175.510 0.048 0.000 1.117 603 N CA 0.798 53.888 53.050 0.066 0.000 0.845 603 N CB 1.531 40.059 38.487 0.069 0.000 0.980 603 N HN 0.248 nan 8.380 nan 0.000 0.486 604 G N 0.907 109.730 108.800 0.039 0.000 2.141 604 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.242 604 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.242 604 G C 0.783 175.697 174.900 0.024 0.000 0.982 604 G CA -0.017 45.097 45.100 0.022 0.000 0.662 604 G HN 0.246 nan 8.290 nan 0.000 0.527 605 I N 0.272 120.863 120.570 0.034 0.000 2.494 605 I HA 0.324 4.493 4.170 -0.001 0.000 0.250 605 I C 1.440 177.575 176.117 0.030 0.000 1.112 605 I CA 0.681 62.008 61.300 0.046 0.000 1.438 605 I CB 0.074 38.124 38.000 0.083 0.000 1.111 605 I HN 0.276 nan 8.210 nan 0.000 0.431 606 I N 1.958 122.535 120.570 0.013 0.000 2.354 606 I HA 0.240 4.410 4.170 -0.001 0.000 0.286 606 I C -0.634 175.513 176.117 0.050 0.000 1.007 606 I CA -0.307 61.008 61.300 0.025 0.000 1.167 606 I CB 0.417 38.397 38.000 -0.034 0.000 1.320 606 I HN 0.116 nan 8.210 nan 0.000 0.458 607 N N 7.496 126.183 118.700 -0.022 0.000 2.319 607 N HA 0.345 5.085 4.740 -0.001 0.000 0.305 607 N C -2.111 173.149 175.510 -0.417 0.000 1.103 607 N CA -1.547 51.392 53.050 -0.185 0.000 0.815 607 N CB 2.127 40.542 38.487 -0.121 0.000 1.288 607 N HN 0.143 nan 8.380 nan 0.000 0.493 608 P HA -0.073 nan 4.420 nan 0.000 0.216 608 P C 0.852 177.950 177.300 -0.336 0.000 1.153 608 P CA 1.362 63.878 63.100 -0.974 0.000 0.858 608 P CB 0.390 31.618 31.700 -0.787 0.000 0.789 609 R N -1.048 119.324 120.500 -0.212 0.000 2.317 609 R HA 0.164 4.504 4.340 -0.001 0.000 0.208 609 R C 0.123 176.400 176.300 -0.039 0.000 0.914 609 R CA 0.068 56.114 56.100 -0.090 0.000 1.060 609 R CB -1.031 29.225 30.300 -0.073 0.000 1.015 609 R HN 0.305 nan 8.270 nan 0.000 0.498 610 D N 1.615 121.989 120.400 -0.042 0.000 2.368 610 D HA -0.060 4.580 4.640 -0.001 0.000 0.240 610 D C -0.050 176.275 176.300 0.041 0.000 1.169 610 D CA 0.040 54.038 54.000 -0.004 0.000 0.906 610 D CB 0.564 41.361 40.800 -0.006 0.000 1.187 610 D HN -0.012 nan 8.370 nan 0.000 0.435 611 D N 0.112 120.531 120.400 0.031 0.000 2.472 611 D HA -0.119 4.520 4.640 -0.001 0.000 0.248 611 D C 1.274 177.597 176.300 0.037 0.000 1.174 611 D CA -0.069 53.960 54.000 0.049 0.000 0.883 611 D CB 0.089 40.876 40.800 -0.023 0.000 1.149 611 D HN 0.347 nan 8.370 nan 0.000 0.488 612 F N 3.695 123.663 119.950 0.030 0.000 2.202 612 F HA -0.123 4.403 4.527 -0.001 0.000 0.301 612 F C 1.953 177.777 175.800 0.040 0.000 1.082 612 F CA 1.091 59.119 58.000 0.046 0.000 1.313 612 F CB -0.292 38.744 39.000 0.060 0.000 1.024 612 F HN 0.356 nan 8.300 nan 0.000 0.495 613 K N 1.079 120.770 120.400 -1.181 0.000 1.984 613 K HA -0.036 4.284 4.320 -0.001 0.000 0.209 613 K C 2.417 178.812 176.600 -0.342 0.000 1.046 613 K CA 1.243 56.997 56.287 -0.889 0.000 0.934 613 K CB -0.623 31.386 32.500 -0.818 0.000 0.717 613 K HN 0.310 nan 8.250 nan 0.000 0.438 614 A N 1.555 124.235 122.820 -0.234 0.000 1.933 614 A HA -0.193 4.127 4.320 -0.001 0.000 0.218 614 A C 2.158 179.700 177.584 -0.070 0.000 1.175 614 A CA 1.670 53.638 52.037 -0.115 0.000 0.628 614 A CB -0.593 18.361 19.000 -0.077 0.000 0.814 614 A HN 0.435 nan 8.150 nan 0.000 0.444 615 R N -0.394 120.070 120.500 -0.060 0.000 2.075 615 R HA -0.077 4.262 4.340 -0.001 0.000 0.232 615 R C 2.294 178.578 176.300 -0.027 0.000 1.126 615 R CA 1.410 57.500 56.100 -0.017 0.000 0.963 615 R CB -0.419 29.897 30.300 0.028 0.000 0.858 615 R HN 0.422 nan 8.270 nan 0.000 0.435 616 A N 1.313 124.113 122.820 -0.034 0.000 1.908 616 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 616 A C 2.150 179.736 177.584 0.004 0.000 1.181 616 A CA 1.184 53.216 52.037 -0.008 0.000 0.627 616 A CB -0.488 18.526 19.000 0.022 0.000 0.818 616 A HN 0.263 nan 8.150 nan 0.000 0.445 617 R N -0.541 119.949 120.500 -0.017 0.000 2.091 617 R HA -0.086 4.254 4.340 -0.001 0.000 0.238 617 R C 2.036 178.351 176.300 0.026 0.000 1.136 617 R CA 1.546 57.647 56.100 0.002 0.000 0.959 617 R CB -0.650 29.637 30.300 -0.022 0.000 0.856 617 R HN 0.652 nan 8.270 nan 0.000 0.437 618 I N 0.537 121.125 120.570 0.030 0.000 2.202 618 I HA -0.287 3.882 4.170 -0.001 0.000 0.242 618 I C 2.503 178.710 176.117 0.150 0.000 1.091 618 I CA 1.311 62.656 61.300 0.076 0.000 1.368 618 I CB -0.219 37.837 38.000 0.093 0.000 1.058 618 I HN 0.128 nan 8.210 nan 0.000 0.410 619 M N 0.172 119.825 119.600 0.088 0.000 2.159 619 M HA -0.190 4.289 4.480 -0.001 0.000 0.263 619 M C 2.437 178.847 176.300 0.184 0.000 1.063 619 M CA 1.943 57.275 55.300 0.054 0.000 1.110 619 M CB -0.471 31.914 32.600 -0.359 0.000 1.374 619 M HN 0.331 nan 8.290 nan 0.000 0.411 620 A N 0.418 123.328 122.820 0.151 0.000 1.843 620 A HA -0.120 4.199 4.320 -0.001 0.000 0.213 620 A C 1.742 179.398 177.584 0.120 0.000 1.202 620 A CA 1.555 53.698 52.037 0.177 0.000 0.607 620 A CB -0.580 18.499 19.000 0.132 0.000 0.847 620 A HN 0.343 nan 8.150 nan 0.000 0.445 621 D N 0.155 120.596 120.400 0.070 0.000 2.178 621 D HA -0.082 4.557 4.640 -0.001 0.000 0.202 621 D C 0.965 177.259 176.300 -0.010 0.000 0.974 621 D CA 1.245 55.262 54.000 0.028 0.000 0.841 621 D CB -0.215 40.591 40.800 0.010 0.000 0.953 621 D HN 0.415 nan 8.370 nan 0.000 0.478 622 D N -1.044 119.335 120.400 -0.035 0.000 2.324 622 D HA -0.007 4.632 4.640 -0.001 0.000 0.212 622 D C 0.908 176.983 176.300 -0.374 0.000 0.984 622 D CA 0.398 54.264 54.000 -0.223 0.000 0.885 622 D CB 0.185 40.797 40.800 -0.314 0.000 0.996 622 D HN 0.282 nan 8.370 nan 0.000 0.505 623 Y N -0.042 120.301 120.300 0.072 0.000 2.584 623 Y HA 0.335 4.884 4.550 -0.001 0.000 0.254 623 Y C 1.547 177.577 175.900 0.217 0.000 1.177 623 Y CA -0.070 58.106 58.100 0.126 0.000 1.216 623 Y CB 0.964 39.485 38.460 0.102 0.000 1.172 623 Y HN -0.031 nan 8.280 nan 0.000 0.529 624 G N -0.720 108.231 108.800 0.252 0.000 2.168 624 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.257 624 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.257 624 G C -0.010 175.049 174.900 0.266 0.000 0.997 624 G CA -0.074 45.152 45.100 0.210 0.000 0.708 624 G HN 0.291 nan 8.290 nan 0.000 0.520 625 W N 0.278 121.622 121.300 0.074 0.000 2.183 625 W HA 0.532 5.192 4.660 -0.001 0.000 0.348 625 W C 0.658 177.197 176.519 0.033 0.000 1.257 625 W CA -0.155 57.219 57.345 0.048 0.000 1.324 625 W CB 0.442 29.933 29.460 0.051 0.000 1.144 625 W HN 0.215 nan 8.180 nan 0.000 0.622 626 D N 0.575 121.102 120.400 0.213 0.000 2.312 626 D HA 0.040 4.680 4.640 -0.001 0.000 0.252 626 D C 0.885 177.310 176.300 0.209 0.000 1.150 626 D CA -0.040 54.041 54.000 0.136 0.000 0.870 626 D CB 1.537 42.367 40.800 0.049 0.000 1.153 626 D HN 0.182 nan 8.370 nan 0.000 0.457 627 V N 3.635 123.642 119.914 0.155 0.000 2.469 627 V HA -0.236 3.883 4.120 -0.001 0.000 0.251 627 V C 1.764 177.947 176.094 0.148 0.000 1.064 627 V CA 2.497 64.883 62.300 0.143 0.000 1.066 627 V CB -0.480 31.398 31.823 0.092 0.000 0.667 627 V HN 0.819 nan 8.190 nan 0.000 0.461 628 T N -0.339 114.290 114.554 0.125 0.000 2.737 628 T HA -0.146 4.204 4.350 -0.001 0.000 0.265 628 T C 1.611 176.396 174.700 0.142 0.000 1.038 628 T CA 1.586 63.757 62.100 0.119 0.000 1.144 628 T CB -0.391 68.523 68.868 0.076 0.000 0.866 628 T HN 0.542 nan 8.240 nan 0.000 0.434 629 D N 1.367 121.860 120.400 0.155 0.000 2.104 629 D HA -0.046 4.594 4.640 -0.001 0.000 0.194 629 D C 2.359 178.852 176.300 0.322 0.000 0.994 629 D CA 1.332 55.448 54.000 0.193 0.000 0.830 629 D CB -0.464 40.431 40.800 0.159 0.000 0.959 629 D HN 0.389 nan 8.370 nan 0.000 0.452 630 A N 0.947 123.993 122.820 0.376 0.000 1.902 630 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 630 A C 2.171 179.860 177.584 0.175 0.000 1.181 630 A CA 1.327 53.490 52.037 0.211 0.000 0.623 630 A CB -0.479 18.587 19.000 0.111 0.000 0.818 630 A HN 0.135 nan 8.150 nan 0.000 0.443 631 R N -0.358 120.275 120.500 0.222 0.000 2.193 631 R HA -0.030 4.310 4.340 -0.001 0.000 0.229 631 R C 0.882 177.366 176.300 0.306 0.000 1.110 631 R CA 1.236 57.545 56.100 0.348 0.000 0.988 631 R CB -0.131 30.383 30.300 0.358 0.000 0.871 631 R HN 0.382 nan 8.270 nan 0.000 0.458 632 K N 1.262 121.789 120.400 0.211 0.000 2.577 632 K HA 0.096 4.415 4.320 -0.001 0.000 0.210 632 K C -0.156 176.546 176.600 0.170 0.000 1.048 632 K CA -0.286 56.105 56.287 0.173 0.000 1.188 632 K CB 0.151 32.704 32.500 0.088 0.000 0.910 632 K HN 0.122 nan 8.250 nan 0.000 0.483 633 I N -2.316 118.368 120.570 0.190 0.000 2.496 633 I HA 0.063 4.233 4.170 -0.001 0.000 0.285 633 I C 0.561 176.862 176.117 0.307 0.000 1.080 633 I CA -0.111 61.280 61.300 0.153 0.000 1.404 633 I CB 0.499 38.529 38.000 0.050 0.000 1.403 633 I HN 0.045 nan 8.210 nan 0.000 0.539 634 W N 6.049 127.336 121.300 -0.023 0.000 2.576 634 W HA 0.262 4.921 4.660 -0.001 0.000 0.275 634 W C 0.580 177.123 176.519 0.040 0.000 1.241 634 W CA 0.325 57.663 57.345 -0.012 0.000 1.328 634 W CB -0.235 29.193 29.460 -0.054 0.000 1.092 634 W HN 0.948 nan 8.180 nan 0.000 0.586 635 C N -3.807 115.652 119.300 0.265 0.000 3.197 635 C HA 0.560 5.020 4.460 -0.001 0.000 0.343 635 C C -0.679 174.527 174.990 0.360 0.000 1.291 635 C CA -1.982 57.232 59.018 0.327 0.000 1.191 635 C CB 0.290 28.199 27.740 0.283 0.000 1.444 635 C HN -0.068 nan 8.230 nan 0.000 0.468 636 F N 0.820 120.879 119.950 0.182 0.000 2.483 636 F HA 0.794 5.321 4.527 -0.001 0.000 0.329 636 F C 1.038 177.010 175.800 0.286 0.000 1.064 636 F CA 0.483 58.613 58.000 0.216 0.000 0.986 636 F CB 2.477 41.548 39.000 0.118 0.000 1.218 636 F HN 1.156 nan 8.300 nan 0.000 0.484 637 G N 1.638 110.706 108.800 0.447 0.000 2.698 637 G HA2 0.616 4.576 3.960 -0.001 0.000 0.293 637 G HA3 0.616 4.576 3.960 -0.001 0.000 0.293 637 G C -3.392 171.543 174.900 0.059 0.000 1.437 637 G CA -1.552 43.670 45.100 0.203 0.000 0.852 637 G HN 0.199 nan 8.290 nan 0.000 0.499 638 P HA 0.293 nan 4.420 nan 0.000 0.279 638 P C -0.503 176.823 177.300 0.043 0.000 1.282 638 P CA -0.217 62.875 63.100 -0.012 0.000 0.788 638 P CB 0.580 32.253 31.700 -0.045 0.000 1.139 639 D N -1.092 119.326 120.400 0.032 0.000 2.882 639 D HA -0.210 4.429 4.640 -0.001 0.000 0.229 639 D C 1.016 177.347 176.300 0.051 0.000 1.167 639 D CA 1.652 55.670 54.000 0.031 0.000 0.759 639 D CB -1.843 38.968 40.800 0.017 0.000 1.088 639 D HN 0.856 nan 8.370 nan 0.000 0.425 640 G N 1.094 109.952 108.800 0.096 0.000 2.196 640 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.268 640 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.268 640 G C 0.596 175.554 174.900 0.096 0.000 0.975 640 G CA 1.180 46.348 45.100 0.113 0.000 0.648 640 G HN 0.722 nan 8.290 nan 0.000 0.538 641 N N -0.622 118.142 118.700 0.106 0.000 2.081 641 N HA 0.346 5.085 4.740 -0.001 0.000 0.230 641 N C 0.875 176.498 175.510 0.188 0.000 1.351 641 N CA 0.803 53.891 53.050 0.064 0.000 0.840 641 N CB -0.305 38.161 38.487 -0.036 0.000 1.189 641 N HN 0.735 nan 8.380 nan 0.000 0.503 642 G N 1.047 109.974 108.800 0.212 0.000 2.634 642 G HA2 0.342 4.301 3.960 -0.001 0.000 0.255 642 G HA3 0.342 4.301 3.960 -0.001 0.000 0.255 642 G C -2.116 172.921 174.900 0.227 0.000 1.205 642 G CA -1.195 44.008 45.100 0.172 0.000 0.884 642 G HN 0.064 nan 8.290 nan 0.000 0.549 643 P HA 0.104 nan 4.420 nan 0.000 0.228 643 P C -0.990 176.361 177.300 0.085 0.000 1.748 643 P CA -0.084 63.082 63.100 0.110 0.000 0.909 643 P CB -0.418 31.331 31.700 0.082 0.000 1.882 644 N N 0.304 119.077 118.700 0.121 0.000 2.277 644 N HA 0.604 5.344 4.740 -0.001 0.000 0.286 644 N C -1.080 174.594 175.510 0.272 0.000 1.140 644 N CA -0.632 52.538 53.050 0.201 0.000 0.799 644 N CB 1.990 40.572 38.487 0.158 0.000 1.596 644 N HN -0.049 nan 8.380 nan 0.000 0.473 645 L N 0.527 121.903 121.223 0.254 0.000 2.424 645 L HA 0.698 5.037 4.340 -0.001 0.000 0.258 645 L C -1.188 175.514 176.870 -0.280 0.000 0.995 645 L CA -1.150 53.673 54.840 -0.029 0.000 0.821 645 L CB 2.335 44.299 42.059 -0.158 0.000 1.383 645 L HN 0.190 nan 8.230 nan 0.000 0.410 646 V N 2.902 122.513 119.914 -0.504 0.000 2.384 646 V HA 0.473 4.592 4.120 -0.001 0.000 0.287 646 V C -0.624 175.318 176.094 -0.253 0.000 1.020 646 V CA -0.347 61.623 62.300 -0.549 0.000 0.850 646 V CB 1.811 33.227 31.823 -0.678 0.000 0.987 646 V HN 0.371 nan 8.190 nan 0.000 0.436 647 I N 3.957 124.385 120.570 -0.236 0.000 2.406 647 I HA 0.366 4.536 4.170 -0.001 0.000 0.290 647 I C -0.168 175.727 176.117 -0.370 0.000 0.999 647 I CA -0.529 60.659 61.300 -0.187 0.000 1.124 647 I CB 1.718 39.698 38.000 -0.034 0.000 1.289 647 I HN 0.581 nan 8.210 nan 0.000 0.441 648 D N 5.434 125.510 120.400 -0.539 0.000 2.325 648 D HA 0.186 4.826 4.640 -0.001 0.000 0.251 648 D C -0.028 176.091 176.300 -0.302 0.000 1.196 648 D CA 0.285 53.891 54.000 -0.657 0.000 0.866 648 D CB 0.788 41.035 40.800 -0.922 0.000 1.101 648 D HN 0.507 nan 8.370 nan 0.000 0.476 649 Q N 2.216 121.868 119.800 -0.246 0.000 2.135 649 Q HA 0.126 4.466 4.340 -0.001 0.000 0.231 649 Q C 0.171 176.103 176.000 -0.115 0.000 0.817 649 Q CA -0.308 55.410 55.803 -0.142 0.000 1.073 649 Q CB 0.775 29.440 28.738 -0.122 0.000 1.176 649 Q HN 0.650 nan 8.270 nan 0.000 0.478 650 T N -2.503 111.974 114.554 -0.129 0.000 2.828 650 T HA 0.268 4.617 4.350 -0.001 0.000 0.290 650 T C 0.814 175.487 174.700 -0.044 0.000 1.019 650 T CA -0.312 61.741 62.100 -0.078 0.000 1.031 650 T CB 1.722 70.554 68.868 -0.061 0.000 1.001 650 T HN 0.035 nan 8.240 nan 0.000 0.531 651 K N 0.340 120.721 120.400 -0.032 0.000 2.353 651 K HA 0.431 4.751 4.320 -0.001 0.000 0.206 651 K C 1.123 177.717 176.600 -0.010 0.000 1.191 651 K CA 0.215 56.490 56.287 -0.021 0.000 0.897 651 K CB 0.507 32.989 32.500 -0.031 0.000 1.283 651 K HN 0.628 nan 8.250 nan 0.000 0.477 652 A N 1.894 124.706 122.820 -0.013 0.000 3.113 652 A HA 0.337 4.657 4.320 -0.001 0.000 0.307 652 A C -0.604 176.976 177.584 -0.007 0.000 1.025 652 A CA -0.389 51.641 52.037 -0.012 0.000 1.012 652 A CB 0.293 19.280 19.000 -0.022 0.000 1.085 652 A HN -0.012 nan 8.150 nan 0.000 0.519 653 V N 1.701 121.626 119.914 0.017 0.000 2.368 653 V HA 0.048 4.168 4.120 -0.001 0.000 0.266 653 V C 1.258 177.361 176.094 0.015 0.000 1.045 653 V CA -0.005 62.317 62.300 0.037 0.000 0.899 653 V CB 0.577 32.451 31.823 0.085 0.000 1.006 653 V HN 0.860 nan 8.190 nan 0.000 0.470 654 Q N 3.236 122.987 119.800 -0.081 0.000 2.045 654 Q HA -0.188 4.151 4.340 -0.001 0.000 0.206 654 Q C 0.430 176.274 176.000 -0.260 0.000 0.991 654 Q CA 2.019 57.658 55.803 -0.272 0.000 0.851 654 Q CB -0.058 28.335 28.738 -0.575 0.000 0.911 654 Q HN 0.876 nan 8.270 nan 0.000 0.418 655 Y N -0.076 120.293 120.300 0.114 0.000 2.746 655 Y HA 0.080 4.630 4.550 -0.001 0.000 0.312 655 Y C 1.111 176.995 175.900 -0.026 0.000 1.117 655 Y CA -0.455 57.657 58.100 0.021 0.000 1.324 655 Y CB -0.097 38.347 38.460 -0.028 0.000 1.173 655 Y HN 0.116 nan 8.280 nan 0.000 0.529 656 L N 0.994 122.350 121.223 0.221 0.000 1.971 656 L HA -0.296 4.043 4.340 -0.001 0.000 0.215 656 L C 2.943 179.930 176.870 0.194 0.000 1.072 656 L CA 2.223 57.217 54.840 0.256 0.000 0.758 656 L CB -0.739 41.501 42.059 0.301 0.000 0.889 656 L HN 0.545 nan 8.230 nan 0.000 0.433 657 H N -0.827 118.311 119.070 0.113 0.000 2.460 657 H HA -0.171 4.385 4.556 -0.001 0.000 0.297 657 H C 1.568 176.894 175.328 -0.004 0.000 1.103 657 H CA 1.803 57.859 56.048 0.013 0.000 1.292 657 H CB -0.771 28.996 29.762 0.009 0.000 1.376 657 H HN 0.601 nan 8.280 nan 0.000 0.531 658 E N 0.838 120.715 120.200 -0.537 0.000 2.435 658 E HA 0.054 4.403 4.350 -0.001 0.000 0.195 658 E C 1.908 178.431 176.600 -0.128 0.000 1.029 658 E CA 0.760 56.965 56.400 -0.326 0.000 0.865 658 E CB 0.151 29.646 29.700 -0.341 0.000 0.833 658 E HN 0.764 nan 8.360 nan 0.000 0.510 659 I N -2.774 117.762 120.570 -0.056 0.000 4.082 659 I HA 0.188 4.358 4.170 -0.001 0.000 0.337 659 I C 1.911 178.033 176.117 0.007 0.000 1.352 659 I CA -0.265 61.046 61.300 0.018 0.000 1.097 659 I CB 0.272 38.335 38.000 0.105 0.000 1.048 659 I HN -0.181 nan 8.210 nan 0.000 0.393 660 K N 1.997 122.307 120.400 -0.151 0.000 2.001 660 K HA -0.226 4.094 4.320 -0.001 0.000 0.214 660 K C 1.506 177.963 176.600 -0.239 0.000 1.050 660 K CA 2.593 58.602 56.287 -0.463 0.000 0.934 660 K CB -0.093 31.933 32.500 -0.791 0.000 0.718 660 K HN 0.333 nan 8.250 nan 0.000 0.443 661 D N 0.068 120.371 120.400 -0.162 0.000 2.133 661 D HA -0.134 4.505 4.640 -0.001 0.000 0.195 661 D C 2.034 178.334 176.300 -0.000 0.000 0.997 661 D CA 1.216 55.169 54.000 -0.077 0.000 0.840 661 D CB -0.264 40.499 40.800 -0.062 0.000 0.947 661 D HN 0.172 nan 8.370 nan 0.000 0.452 662 S N -0.094 115.617 115.700 0.018 0.000 2.356 662 S HA -0.100 4.370 4.470 -0.001 0.000 0.223 662 S C 2.345 177.016 174.600 0.119 0.000 1.032 662 S CA 0.544 58.785 58.200 0.067 0.000 1.005 662 S CB -0.213 63.025 63.200 0.063 0.000 0.867 662 S HN 0.084 nan 8.310 nan 0.000 0.449 663 V N 1.540 121.546 119.914 0.152 0.000 2.295 663 V HA -0.153 3.967 4.120 -0.001 0.000 0.246 663 V C 2.314 178.554 176.094 0.243 0.000 1.049 663 V CA 1.479 63.919 62.300 0.234 0.000 1.024 663 V CB -0.729 31.355 31.823 0.435 0.000 0.648 663 V HN 0.324 nan 8.190 nan 0.000 0.447 664 V N 0.229 120.262 119.914 0.199 0.000 2.261 664 V HA -0.281 3.838 4.120 -0.001 0.000 0.246 664 V C 2.720 178.950 176.094 0.226 0.000 1.047 664 V CA 2.131 64.556 62.300 0.208 0.000 1.015 664 V CB -1.199 30.687 31.823 0.104 0.000 0.642 664 V HN 0.568 nan 8.190 nan 0.000 0.446 665 A N 0.032 122.948 122.820 0.160 0.000 1.883 665 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 665 A C 2.441 180.163 177.584 0.230 0.000 1.186 665 A CA 2.394 54.524 52.037 0.154 0.000 0.624 665 A CB -0.933 18.131 19.000 0.108 0.000 0.822 665 A HN 0.608 nan 8.150 nan 0.000 0.444 666 A N -1.472 121.492 122.820 0.240 0.000 1.908 666 A HA -0.094 4.226 4.320 -0.001 0.000 0.218 666 A C 2.050 179.767 177.584 0.222 0.000 1.181 666 A CA 1.727 53.907 52.037 0.239 0.000 0.627 666 A CB -0.719 18.364 19.000 0.138 0.000 0.818 666 A HN 0.638 nan 8.150 nan 0.000 0.445 667 F N 0.561 120.560 119.950 0.082 0.000 2.171 667 F HA -0.166 4.361 4.527 -0.001 0.000 0.300 667 F C 2.467 178.321 175.800 0.090 0.000 1.090 667 F CA 1.896 59.931 58.000 0.058 0.000 1.293 667 F CB -0.133 38.919 39.000 0.087 0.000 1.013 667 F HN 0.206 nan 8.300 nan 0.000 0.486 668 Q N -0.756 119.155 119.800 0.185 0.000 2.124 668 Q HA -0.241 4.098 4.340 -0.001 0.000 0.202 668 Q C 2.079 178.131 176.000 0.086 0.000 0.977 668 Q CA 1.458 57.311 55.803 0.084 0.000 0.850 668 Q CB -1.175 27.630 28.738 0.112 0.000 0.901 668 Q HN 0.601 nan 8.270 nan 0.000 0.429 669 W N 1.140 122.394 121.300 -0.076 0.000 2.378 669 W HA -0.008 4.651 4.660 -0.001 0.000 0.313 669 W C 2.246 178.688 176.519 -0.128 0.000 1.197 669 W CA 1.723 59.020 57.345 -0.081 0.000 1.304 669 W CB -0.831 28.596 29.460 -0.055 0.000 1.148 669 W HN 0.114 nan 8.180 nan 0.000 0.494 670 A N 0.120 122.907 122.820 -0.056 0.000 1.902 670 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 670 A C 2.000 179.466 177.584 -0.196 0.000 1.181 670 A CA 3.206 55.086 52.037 -0.261 0.000 0.623 670 A CB -1.458 17.233 19.000 -0.516 0.000 0.818 670 A HN 0.385 nan 8.150 nan 0.000 0.443 671 T N -2.611 111.725 114.554 -0.363 0.000 2.995 671 T HA -0.049 4.300 4.350 -0.001 0.000 0.269 671 T C 1.721 176.307 174.700 -0.189 0.000 1.091 671 T CA 1.577 63.456 62.100 -0.369 0.000 1.128 671 T CB -0.074 68.451 68.868 -0.571 0.000 0.891 671 T HN 0.346 nan 8.240 nan 0.000 0.492 672 K N 2.010 122.354 120.400 -0.092 0.000 2.167 672 K HA 0.116 4.435 4.320 -0.001 0.000 0.203 672 K C 1.021 177.598 176.600 -0.038 0.000 1.052 672 K CA 0.767 57.028 56.287 -0.043 0.000 0.956 672 K CB 0.120 32.628 32.500 0.013 0.000 0.735 672 K HN 0.576 nan 8.250 nan 0.000 0.451 673 E N 0.219 120.427 120.200 0.014 0.000 2.331 673 E HA 0.282 4.632 4.350 -0.001 0.000 0.243 673 E C -0.673 175.888 176.600 -0.066 0.000 0.925 673 E CA -0.654 55.739 56.400 -0.012 0.000 0.760 673 E CB 0.641 30.406 29.700 0.108 0.000 1.254 673 E HN 0.343 nan 8.360 nan 0.000 0.419 674 G N 3.660 112.334 108.800 -0.210 0.000 2.594 674 G HA2 0.102 4.062 3.960 -0.001 0.000 0.243 674 G HA3 0.102 4.062 3.960 -0.001 0.000 0.243 674 G C -1.429 173.185 174.900 -0.477 0.000 1.229 674 G CA -0.883 43.996 45.100 -0.369 0.000 0.843 674 G HN 0.478 nan 8.290 nan 0.000 0.578 675 P HA 0.024 nan 4.420 nan 0.000 0.240 675 P C 1.681 178.845 177.300 -0.227 0.000 1.190 675 P CA 0.351 63.036 63.100 -0.691 0.000 0.781 675 P CB 0.372 31.514 31.700 -0.931 0.000 0.931 676 I N -0.041 120.485 120.570 -0.072 0.000 2.133 676 I HA -0.124 4.045 4.170 -0.001 0.000 0.238 676 I C 1.689 177.985 176.117 0.299 0.000 1.074 676 I CA 1.782 63.187 61.300 0.175 0.000 1.342 676 I CB -0.383 37.818 38.000 0.335 0.000 1.053 676 I HN -0.065 nan 8.210 nan 0.000 0.404 677 F N -1.453 118.460 119.950 -0.062 0.000 2.656 677 F HA 0.576 5.103 4.527 -0.001 0.000 0.363 677 F C 0.690 176.469 175.800 -0.034 0.000 1.313 677 F CA -0.209 57.777 58.000 -0.023 0.000 1.089 677 F CB -0.073 38.945 39.000 0.030 0.000 1.247 677 F HN 0.080 nan 8.300 nan 0.000 0.509 678 G N 0.271 108.953 108.800 -0.198 0.000 2.148 678 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.254 678 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.254 678 G C 0.021 174.706 174.900 -0.359 0.000 0.981 678 G CA 0.275 45.221 45.100 -0.257 0.000 0.670 678 G HN 0.454 nan 8.290 nan 0.000 0.528 679 E N 0.627 120.495 120.200 -0.554 0.000 2.345 679 E HA 0.341 4.690 4.350 -0.001 0.000 0.259 679 E C 0.710 177.141 176.600 -0.283 0.000 1.117 679 E CA -0.486 55.638 56.400 -0.459 0.000 0.913 679 E CB 0.592 29.933 29.700 -0.598 0.000 1.057 679 E HN 0.580 nan 8.360 nan 0.000 0.432 680 E N 0.956 121.025 120.200 -0.219 0.000 2.415 680 E HA 0.040 4.389 4.350 -0.001 0.000 0.262 680 E C 0.056 176.536 176.600 -0.200 0.000 1.038 680 E CA 0.181 56.468 56.400 -0.188 0.000 0.921 680 E CB 0.601 30.205 29.700 -0.161 0.000 0.950 680 E HN 0.216 nan 8.360 nan 0.000 0.438 681 M N 2.106 121.597 119.600 -0.182 0.000 2.247 681 M HA 0.306 4.786 4.480 -0.001 0.000 0.326 681 M C 0.188 176.416 176.300 -0.120 0.000 1.134 681 M CA 0.202 55.425 55.300 -0.128 0.000 1.136 681 M CB 0.992 33.518 32.600 -0.124 0.000 1.454 681 M HN 0.354 nan 8.290 nan 0.000 0.467 682 R N -0.195 120.263 120.500 -0.070 0.000 2.584 682 R HA 0.302 4.641 4.340 -0.001 0.000 0.276 682 R C -0.764 175.538 176.300 0.004 0.000 1.046 682 R CA -0.134 55.911 56.100 -0.091 0.000 0.906 682 R CB 1.459 31.599 30.300 -0.267 0.000 1.215 682 R HN 0.828 nan 8.270 nan 0.000 0.449 683 S N 0.573 116.293 115.700 0.033 0.000 3.698 683 S HA -0.126 4.343 4.470 -0.001 0.000 0.338 683 S C -0.459 174.197 174.600 0.093 0.000 1.089 683 S CA 0.860 59.100 58.200 0.066 0.000 0.991 683 S CB -1.252 61.981 63.200 0.056 0.000 0.909 683 S HN 0.374 nan 8.310 nan 0.000 0.485 684 V N 1.702 121.694 119.914 0.130 0.000 2.370 684 V HA 0.509 4.628 4.120 -0.001 0.000 0.283 684 V C 0.474 176.691 176.094 0.205 0.000 1.023 684 V CA -0.556 61.849 62.300 0.175 0.000 0.857 684 V CB 1.617 33.594 31.823 0.256 0.000 0.985 684 V HN 0.451 nan 8.190 nan 0.000 0.443 685 R N 4.132 124.715 120.500 0.138 0.000 2.338 685 R HA 0.741 5.080 4.340 -0.001 0.000 0.317 685 R C -1.705 174.633 176.300 0.063 0.000 0.968 685 R CA -0.390 55.773 56.100 0.105 0.000 0.849 685 R CB 1.804 32.127 30.300 0.038 0.000 1.128 685 R HN 0.507 nan 8.270 nan 0.000 0.448 686 V N 4.406 124.334 119.914 0.023 0.000 2.448 686 V HA 0.320 4.439 4.120 -0.001 0.000 0.295 686 V C -0.623 175.399 176.094 -0.120 0.000 1.025 686 V CA -0.875 61.413 62.300 -0.021 0.000 0.859 686 V CB 1.822 33.658 31.823 0.022 0.000 0.988 686 V HN 0.874 nan 8.190 nan 0.000 0.431 687 N N 4.643 123.279 118.700 -0.106 0.000 2.476 687 N HA 0.520 5.260 4.740 -0.001 0.000 0.257 687 N C -0.695 174.733 175.510 -0.136 0.000 0.970 687 N CA -0.549 52.417 53.050 -0.140 0.000 0.938 687 N CB 1.595 40.007 38.487 -0.125 0.000 1.144 687 N HN 0.584 nan 8.380 nan 0.000 0.500 688 I N 3.540 123.988 120.570 -0.204 0.000 2.406 688 I HA -0.002 4.167 4.170 -0.001 0.000 0.293 688 I C 1.139 177.176 176.117 -0.132 0.000 1.101 688 I CA -0.059 61.133 61.300 -0.179 0.000 1.334 688 I CB 0.513 38.324 38.000 -0.314 0.000 1.421 688 I HN 0.572 nan 8.210 nan 0.000 0.513 689 L N 4.354 125.546 121.223 -0.051 0.000 2.162 689 L HA 0.115 4.455 4.340 -0.001 0.000 0.205 689 L C 0.414 177.260 176.870 -0.041 0.000 1.086 689 L CA 0.951 55.765 54.840 -0.043 0.000 0.778 689 L CB -0.130 41.924 42.059 -0.009 0.000 0.928 689 L HN 0.647 nan 8.230 nan 0.000 0.446 690 D N -2.081 118.338 120.400 0.032 0.000 2.685 690 D HA 0.439 5.078 4.640 -0.001 0.000 0.236 690 D C -1.541 174.879 176.300 0.199 0.000 1.233 690 D CA -0.231 53.787 54.000 0.030 0.000 0.760 690 D CB 2.242 42.941 40.800 -0.168 0.000 1.410 690 D HN -0.287 nan 8.370 nan 0.000 0.439 691 V N 1.279 121.285 119.914 0.155 0.000 2.733 691 V HA 0.655 4.775 4.120 -0.001 0.000 0.306 691 V C -0.400 175.798 176.094 0.173 0.000 1.084 691 V CA -0.767 61.645 62.300 0.187 0.000 0.905 691 V CB 1.847 33.750 31.823 0.132 0.000 1.010 691 V HN 0.756 nan 8.190 nan 0.000 0.424 692 T N 3.331 118.005 114.554 0.200 0.000 2.792 692 T HA 0.864 5.214 4.350 -0.001 0.000 0.280 692 T C -0.820 173.975 174.700 0.157 0.000 0.990 692 T CA -0.557 61.643 62.100 0.167 0.000 0.960 692 T CB 1.132 70.111 68.868 0.184 0.000 0.939 692 T HN 0.388 nan 8.240 nan 0.000 0.439 693 L N 2.473 123.796 121.223 0.167 0.000 2.341 693 L HA 0.517 4.856 4.340 -0.001 0.000 0.267 693 L C 0.387 177.382 176.870 0.209 0.000 1.009 693 L CA -1.471 53.486 54.840 0.194 0.000 0.819 693 L CB 1.835 44.023 42.059 0.216 0.000 1.323 693 L HN 0.709 nan 8.230 nan 0.000 0.425 694 H N 0.982 120.127 119.070 0.126 0.000 2.707 694 H HA 0.153 4.708 4.556 -0.001 0.000 0.359 694 H C 0.591 175.969 175.328 0.083 0.000 1.113 694 H CA 0.493 56.603 56.048 0.104 0.000 1.422 694 H CB 1.994 31.794 29.762 0.063 0.000 1.443 694 H HN 0.806 nan 8.280 nan 0.000 0.591 695 A N 4.530 127.306 122.820 -0.074 0.000 1.940 695 A HA -0.129 4.191 4.320 -0.001 0.000 0.219 695 A C 0.475 178.099 177.584 0.066 0.000 1.176 695 A CA 1.293 53.379 52.037 0.081 0.000 0.631 695 A CB -0.068 18.937 19.000 0.007 0.000 0.814 695 A HN 0.739 nan 8.150 nan 0.000 0.446 696 D N -0.418 120.195 120.400 0.355 0.000 2.280 696 D HA 0.475 5.115 4.640 -0.001 0.000 0.243 696 D C 1.054 177.312 176.300 -0.070 0.000 1.129 696 D CA 0.532 54.584 54.000 0.087 0.000 0.848 696 D CB 1.525 42.392 40.800 0.111 0.000 1.107 696 D HN 0.175 nan 8.370 nan 0.000 0.471 697 A N 3.237 125.941 122.820 -0.192 0.000 2.032 697 A HA -0.201 4.119 4.320 -0.001 0.000 0.221 697 A C 1.969 179.439 177.584 -0.191 0.000 1.165 697 A CA 0.804 52.722 52.037 -0.197 0.000 0.645 697 A CB -0.622 18.259 19.000 -0.198 0.000 0.807 697 A HN 0.743 nan 8.150 nan 0.000 0.453 698 I N -1.457 118.953 120.570 -0.267 0.000 2.423 698 I HA -0.231 3.938 4.170 -0.001 0.000 0.254 698 I C 1.395 177.214 176.117 -0.496 0.000 1.151 698 I CA 1.394 62.459 61.300 -0.392 0.000 1.421 698 I CB -0.107 37.580 38.000 -0.521 0.000 1.079 698 I HN 0.419 nan 8.210 nan 0.000 0.431 699 H N 0.701 119.626 119.070 -0.241 0.000 2.594 699 H HA 0.302 4.857 4.556 -0.001 0.000 0.279 699 H C 0.511 175.762 175.328 -0.130 0.000 1.042 699 H CA 0.020 55.903 56.048 -0.275 0.000 1.177 699 H CB 0.342 29.721 29.762 -0.639 0.000 1.524 699 H HN 0.388 nan 8.280 nan 0.000 0.537 700 R N 0.597 121.084 120.500 -0.021 0.000 2.662 700 R HA 0.239 4.578 4.340 -0.001 0.000 0.396 700 R C 0.845 177.137 176.300 -0.014 0.000 1.096 700 R CA -0.262 55.844 56.100 0.009 0.000 1.081 700 R CB 1.260 31.559 30.300 -0.001 0.000 1.382 700 R HN 0.038 nan 8.270 nan 0.000 0.580 701 G N -0.588 108.196 108.800 -0.025 0.000 2.651 701 G HA2 0.230 4.189 3.960 -0.001 0.000 0.260 701 G HA3 0.230 4.189 3.960 -0.001 0.000 0.260 701 G C 1.057 175.961 174.900 0.007 0.000 1.216 701 G CA -0.075 45.011 45.100 -0.024 0.000 0.913 701 G HN 0.176 nan 8.290 nan 0.000 0.535 702 G N -0.148 108.658 108.800 0.009 0.000 2.440 702 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.218 702 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.218 702 G C 1.791 176.723 174.900 0.053 0.000 1.154 702 G CA 1.405 46.525 45.100 0.034 0.000 0.767 702 G HN 1.020 nan 8.290 nan 0.000 0.552 703 G N -0.688 108.138 108.800 0.042 0.000 2.501 703 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.220 703 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.220 703 G C 1.790 176.726 174.900 0.061 0.000 1.114 703 G CA 1.087 46.221 45.100 0.056 0.000 0.757 703 G HN 0.424 nan 8.290 nan 0.000 0.559 704 Q N -0.606 119.226 119.800 0.053 0.000 2.462 704 Q HA 0.258 4.598 4.340 -0.001 0.000 0.224 704 Q C 2.682 178.716 176.000 0.058 0.000 0.911 704 Q CA 0.173 56.011 55.803 0.057 0.000 0.925 704 Q CB 0.099 28.873 28.738 0.060 0.000 1.063 704 Q HN 0.543 nan 8.270 nan 0.000 0.572 705 I N 0.627 121.234 120.570 0.060 0.000 2.406 705 I HA -0.140 4.030 4.170 -0.001 0.000 0.249 705 I C 2.217 178.376 176.117 0.070 0.000 1.122 705 I CA 0.572 61.911 61.300 0.065 0.000 1.431 705 I CB -0.115 37.928 38.000 0.072 0.000 1.087 705 I HN 0.067 nan 8.210 nan 0.000 0.424 706 I N 1.363 121.986 120.570 0.088 0.000 2.127 706 I HA -0.219 3.950 4.170 -0.001 0.000 0.241 706 I C -0.349 175.810 176.117 0.070 0.000 1.075 706 I CA 1.929 63.301 61.300 0.120 0.000 1.334 706 I CB -1.614 36.498 38.000 0.187 0.000 1.040 706 I HN 0.153 nan 8.210 nan 0.000 0.405 707 P HA -0.116 nan 4.420 nan 0.000 0.217 707 P C 1.605 178.878 177.300 -0.045 0.000 1.150 707 P CA 1.520 64.607 63.100 -0.022 0.000 0.832 707 P CB -0.102 31.611 31.700 0.021 0.000 0.787 708 T N -0.574 113.975 114.554 -0.007 0.000 2.708 708 T HA -0.194 4.155 4.350 -0.001 0.000 0.266 708 T C 1.747 176.427 174.700 -0.033 0.000 1.037 708 T CA 1.692 63.783 62.100 -0.015 0.000 1.146 708 T CB -0.739 68.132 68.868 0.005 0.000 0.865 708 T HN 0.054 nan 8.240 nan 0.000 0.435 709 M N 1.302 120.893 119.600 -0.015 0.000 2.117 709 M HA 0.044 4.523 4.480 -0.001 0.000 0.262 709 M C 2.175 178.413 176.300 -0.103 0.000 1.065 709 M CA 1.504 56.795 55.300 -0.014 0.000 1.114 709 M CB -0.404 32.229 32.600 0.054 0.000 1.361 709 M HN 0.037 nan 8.290 nan 0.000 0.408 710 R N -0.539 119.843 120.500 -0.196 0.000 2.081 710 R HA -0.173 4.166 4.340 -0.001 0.000 0.235 710 R C 2.520 178.486 176.300 -0.557 0.000 1.131 710 R CA 1.937 57.743 56.100 -0.489 0.000 0.960 710 R CB -0.360 29.567 30.300 -0.621 0.000 0.856 710 R HN 0.465 nan 8.270 nan 0.000 0.436 711 R N -0.123 120.238 120.500 -0.231 0.000 2.081 711 R HA -0.091 4.248 4.340 -0.001 0.000 0.235 711 R C 2.098 178.413 176.300 0.026 0.000 1.131 711 R CA 1.538 57.643 56.100 0.008 0.000 0.960 711 R CB -0.294 30.054 30.300 0.079 0.000 0.856 711 R HN 0.319 nan 8.270 nan 0.000 0.436 712 A N -0.126 122.679 122.820 -0.025 0.000 1.930 712 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 712 A C 2.150 179.744 177.584 0.017 0.000 1.175 712 A CA 1.907 53.948 52.037 0.007 0.000 0.627 712 A CB -0.786 18.198 19.000 -0.027 0.000 0.815 712 A HN 0.440 nan 8.150 nan 0.000 0.443 713 T N -0.950 113.570 114.554 -0.057 0.000 2.708 713 T HA -0.143 4.206 4.350 -0.001 0.000 0.266 713 T C 1.755 176.482 174.700 0.044 0.000 1.037 713 T CA 1.727 63.819 62.100 -0.013 0.000 1.146 713 T CB -0.447 68.380 68.868 -0.068 0.000 0.865 713 T HN 0.512 nan 8.240 nan 0.000 0.435 714 Y N 1.589 121.792 120.300 -0.161 0.000 2.165 714 Y HA 0.016 4.565 4.550 -0.001 0.000 0.286 714 Y C 2.721 178.513 175.900 -0.181 0.000 1.155 714 Y CA 0.058 57.947 58.100 -0.352 0.000 1.164 714 Y CB -1.348 36.578 38.460 -0.890 0.000 0.978 714 Y HN 0.208 nan 8.280 nan 0.000 0.513 715 A N 0.072 122.963 122.820 0.119 0.000 1.877 715 A HA -0.107 4.213 4.320 -0.001 0.000 0.216 715 A C 2.695 180.413 177.584 0.224 0.000 1.186 715 A CA 1.878 54.090 52.037 0.291 0.000 0.620 715 A CB -1.455 17.774 19.000 0.381 0.000 0.822 715 A HN 0.447 nan 8.150 nan 0.000 0.443 716 G N -1.324 107.573 108.800 0.161 0.000 2.418 716 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.217 716 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.217 716 G C 1.486 176.446 174.900 0.100 0.000 1.158 716 G CA 1.154 46.312 45.100 0.096 0.000 0.771 716 G HN 0.492 nan 8.290 nan 0.000 0.545 717 F N 0.692 120.658 119.950 0.028 0.000 2.069 717 F HA -0.062 4.464 4.527 -0.001 0.000 0.298 717 F C 2.342 178.152 175.800 0.017 0.000 1.113 717 F CA 1.068 59.083 58.000 0.025 0.000 1.214 717 F CB -0.166 38.861 39.000 0.046 0.000 0.978 717 F HN 0.027 nan 8.300 nan 0.000 0.474 718 L N 0.350 121.758 121.223 0.309 0.000 2.191 718 L HA -0.160 4.179 4.340 -0.001 0.000 0.212 718 L C 2.074 178.965 176.870 0.036 0.000 1.103 718 L CA 1.438 56.419 54.840 0.235 0.000 0.769 718 L CB -1.204 41.085 42.059 0.383 0.000 0.908 718 L HN 0.286 nan 8.230 nan 0.000 0.438 719 L N -1.236 119.928 121.223 -0.097 0.000 2.554 719 L HA 0.054 4.393 4.340 -0.001 0.000 0.226 719 L C 1.577 178.288 176.870 -0.264 0.000 1.137 719 L CA 0.312 54.941 54.840 -0.352 0.000 0.863 719 L CB -0.256 41.541 42.059 -0.437 0.000 0.985 719 L HN 0.186 nan 8.230 nan 0.000 0.451 720 A N -0.626 122.058 122.820 -0.228 0.000 2.640 720 A HA 0.110 4.430 4.320 -0.001 0.000 0.282 720 A C 0.169 177.608 177.584 -0.243 0.000 1.357 720 A CA -0.236 51.661 52.037 -0.232 0.000 0.946 720 A CB -0.374 18.482 19.000 -0.239 0.000 1.065 720 A HN 0.365 nan 8.150 nan 0.000 0.541 721 D N -0.420 119.863 120.400 -0.196 0.000 2.927 721 D HA -0.097 4.542 4.640 -0.001 0.000 0.236 721 D C -2.600 173.583 176.300 -0.194 0.000 1.163 721 D CA 0.351 54.263 54.000 -0.147 0.000 0.801 721 D CB -0.860 39.872 40.800 -0.113 0.000 0.975 721 D HN 0.311 nan 8.370 nan 0.000 0.413 722 P HA 0.227 nan 4.420 nan 0.000 0.265 722 P C -0.389 176.863 177.300 -0.080 0.000 1.187 722 P CA 0.291 63.231 63.100 -0.267 0.000 0.766 722 P CB 0.634 32.291 31.700 -0.071 0.000 0.820 723 K N 1.775 122.158 120.400 -0.029 0.000 2.536 723 K HA 0.645 4.965 4.320 -0.001 0.000 0.269 723 K C -0.726 175.955 176.600 0.135 0.000 0.965 723 K CA -0.777 55.537 56.287 0.045 0.000 0.860 723 K CB 1.492 34.004 32.500 0.019 0.000 1.423 723 K HN 0.452 nan 8.250 nan 0.000 0.438 724 I N -1.764 118.888 120.570 0.137 0.000 2.603 724 I HA 0.546 4.716 4.170 -0.001 0.000 0.300 724 I C -0.876 175.375 176.117 0.224 0.000 1.017 724 I CA -0.752 60.673 61.300 0.208 0.000 1.098 724 I CB 2.062 40.187 38.000 0.208 0.000 1.279 724 I HN 0.324 nan 8.210 nan 0.000 0.437 725 Q N 4.115 124.083 119.800 0.281 0.000 2.312 725 Q HA 0.385 4.724 4.340 -0.001 0.000 0.263 725 Q C -1.090 175.270 176.000 0.599 0.000 0.995 725 Q CA -0.755 55.260 55.803 0.354 0.000 0.853 725 Q CB 2.533 31.434 28.738 0.272 0.000 1.300 725 Q HN 0.755 nan 8.270 nan 0.000 0.448 726 E N 1.789 122.321 120.200 0.554 0.000 2.212 726 E HA 0.563 4.913 4.350 -0.001 0.000 0.270 726 E C -2.655 174.090 176.600 0.243 0.000 0.956 726 E CA -2.466 54.220 56.400 0.476 0.000 0.825 726 E CB 1.366 31.296 29.700 0.385 0.000 1.167 726 E HN 0.159 nan 8.360 nan 0.000 0.400 727 P HA 0.129 nan 4.420 nan 0.000 0.280 727 P C -0.958 176.078 177.300 -0.441 0.000 1.244 727 P CA -0.446 62.337 63.100 -0.528 0.000 0.784 727 P CB 1.087 32.332 31.700 -0.759 0.000 0.913 728 V N 4.230 123.811 119.914 -0.554 0.000 2.604 728 V HA 0.396 4.516 4.120 -0.001 0.000 0.305 728 V C -0.198 175.574 176.094 -0.537 0.000 1.043 728 V CA -0.494 61.440 62.300 -0.610 0.000 0.888 728 V CB 1.190 32.502 31.823 -0.852 0.000 0.995 728 V HN 0.335 nan 8.190 nan 0.000 0.429 729 F N 3.663 123.452 119.950 -0.268 0.000 2.371 729 F HA 0.584 5.110 4.527 -0.001 0.000 0.329 729 F C 0.059 175.820 175.800 -0.066 0.000 1.107 729 F CA -1.111 56.786 58.000 -0.172 0.000 1.137 729 F CB 1.429 40.342 39.000 -0.145 0.000 1.214 729 F HN 0.295 nan 8.300 nan 0.000 0.536 730 L N 3.930 125.278 121.223 0.209 0.000 2.262 730 L HA 0.565 4.905 4.340 -0.001 0.000 0.288 730 L C -1.001 175.895 176.870 0.044 0.000 1.035 730 L CA -0.489 54.463 54.840 0.187 0.000 0.820 730 L CB 0.910 43.059 42.059 0.150 0.000 1.204 730 L HN 0.357 nan 8.230 nan 0.000 0.424 731 V N 5.909 125.826 119.914 0.004 0.000 2.427 731 V HA 0.540 4.660 4.120 -0.001 0.000 0.286 731 V C -0.523 175.557 176.094 -0.024 0.000 1.034 731 V CA -0.364 61.902 62.300 -0.056 0.000 0.893 731 V CB 1.677 33.431 31.823 -0.116 0.000 0.982 731 V HN 0.962 nan 8.190 nan 0.000 0.452 732 E N 6.357 126.551 120.200 -0.011 0.000 2.191 732 E HA 0.567 4.916 4.350 -0.001 0.000 0.263 732 E C -1.437 175.188 176.600 0.041 0.000 0.881 732 E CA -0.635 55.771 56.400 0.010 0.000 0.757 732 E CB 1.518 31.219 29.700 0.001 0.000 1.147 732 E HN 0.743 nan 8.360 nan 0.000 0.414 733 I N 3.894 124.496 120.570 0.052 0.000 2.418 733 I HA 0.248 4.417 4.170 -0.001 0.000 0.287 733 I C -0.478 175.687 176.117 0.079 0.000 1.008 733 I CA -0.924 60.422 61.300 0.075 0.000 1.104 733 I CB 1.834 39.873 38.000 0.065 0.000 1.264 733 I HN 0.465 nan 8.210 nan 0.000 0.438 734 Q N 5.151 125.018 119.800 0.112 0.000 2.235 734 Q HA 0.709 5.049 4.340 -0.001 0.000 0.250 734 Q C -0.699 175.399 176.000 0.164 0.000 0.909 734 Q CA -0.097 55.776 55.803 0.118 0.000 0.910 734 Q CB 1.860 30.645 28.738 0.079 0.000 1.223 734 Q HN 0.853 nan 8.270 nan 0.000 0.432 735 C N -0.006 119.388 119.300 0.156 0.000 3.176 735 C HA 0.637 5.097 4.460 -0.001 0.000 0.343 735 C C -2.956 172.140 174.990 0.177 0.000 1.332 735 C CA -1.837 57.270 59.018 0.149 0.000 1.200 735 C CB 0.480 28.261 27.740 0.067 0.000 1.440 735 C HN 0.579 nan 8.230 nan 0.000 0.458 736 P HA 0.285 nan 4.420 nan 0.000 0.274 736 P C 0.729 178.122 177.300 0.155 0.000 1.231 736 P CA 0.191 63.390 63.100 0.165 0.000 0.790 736 P CB 0.603 32.364 31.700 0.102 0.000 0.951 737 E N 1.814 122.163 120.200 0.250 0.000 2.065 737 E HA -0.330 4.019 4.350 -0.001 0.000 0.201 737 E C 1.160 177.691 176.600 -0.116 0.000 1.016 737 E CA 1.688 58.085 56.400 -0.006 0.000 0.818 737 E CB -0.153 29.670 29.700 0.204 0.000 0.749 737 E HN 0.407 nan 8.360 nan 0.000 0.453 738 Q N -0.190 119.596 119.800 -0.023 0.000 2.561 738 Q HA 0.018 4.358 4.340 -0.001 0.000 0.217 738 Q C 1.233 177.204 176.000 -0.048 0.000 0.980 738 Q CA 1.149 56.931 55.803 -0.033 0.000 0.927 738 Q CB -0.094 28.643 28.738 -0.002 0.000 0.980 738 Q HN 0.321 nan 8.270 nan 0.000 0.525 739 A N -0.187 122.596 122.820 -0.062 0.000 2.229 739 A HA 0.188 4.508 4.320 -0.001 0.000 0.211 739 A C 1.892 179.398 177.584 -0.131 0.000 1.193 739 A CA 0.061 52.053 52.037 -0.074 0.000 0.879 739 A CB 0.023 18.993 19.000 -0.050 0.000 0.911 739 A HN 0.185 nan 8.150 nan 0.000 0.492 740 V N 0.470 120.271 119.914 -0.188 0.000 2.380 740 V HA -0.262 3.858 4.120 -0.001 0.000 0.251 740 V C 2.765 178.668 176.094 -0.319 0.000 1.063 740 V CA 2.122 64.237 62.300 -0.308 0.000 1.055 740 V CB -1.347 30.241 31.823 -0.392 0.000 0.657 740 V HN 0.578 nan 8.190 nan 0.000 0.455 741 G N 0.017 108.740 108.800 -0.128 0.000 2.450 741 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.220 741 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.220 741 G C 1.587 176.464 174.900 -0.039 0.000 1.130 741 G CA 0.955 46.053 45.100 -0.002 0.000 0.760 741 G HN 0.601 nan 8.290 nan 0.000 0.557 742 G N 1.084 109.827 108.800 -0.094 0.000 2.418 742 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.217 742 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.217 742 G C 1.750 176.581 174.900 -0.114 0.000 1.158 742 G CA 0.791 45.838 45.100 -0.088 0.000 0.771 742 G HN 0.448 nan 8.290 nan 0.000 0.545 743 I N -0.253 120.191 120.570 -0.209 0.000 2.118 743 I HA -0.262 3.907 4.170 -0.001 0.000 0.241 743 I C 2.522 178.561 176.117 -0.129 0.000 1.070 743 I CA 1.318 62.483 61.300 -0.223 0.000 1.327 743 I CB -0.452 37.316 38.000 -0.386 0.000 1.034 743 I HN 0.120 nan 8.210 nan 0.000 0.405 744 Y N 0.473 120.780 120.300 0.012 0.000 2.165 744 Y HA -0.261 4.289 4.550 -0.001 0.000 0.286 744 Y C 3.047 178.963 175.900 0.026 0.000 1.155 744 Y CA 1.465 59.577 58.100 0.019 0.000 1.164 744 Y CB -1.256 37.202 38.460 -0.003 0.000 0.978 744 Y HN 0.155 nan 8.280 nan 0.000 0.513 745 S N -0.279 115.507 115.700 0.144 0.000 2.359 745 S HA -0.162 4.307 4.470 -0.001 0.000 0.224 745 S C 2.182 176.826 174.600 0.075 0.000 1.035 745 S CA 1.648 59.900 58.200 0.088 0.000 1.018 745 S CB -0.713 62.513 63.200 0.043 0.000 0.876 745 S HN 0.189 nan 8.310 nan 0.000 0.448 746 V N 2.131 122.076 119.914 0.051 0.000 2.358 746 V HA -0.097 4.022 4.120 -0.001 0.000 0.246 746 V C 2.449 178.639 176.094 0.161 0.000 1.047 746 V CA 1.693 64.029 62.300 0.060 0.000 1.035 746 V CB -0.748 31.047 31.823 -0.047 0.000 0.658 746 V HN 0.470 nan 8.190 nan 0.000 0.452 747 L N 0.456 121.799 121.223 0.200 0.000 2.079 747 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 747 L C 2.388 179.355 176.870 0.161 0.000 1.081 747 L CA 1.470 56.443 54.840 0.221 0.000 0.752 747 L CB -0.729 41.460 42.059 0.217 0.000 0.896 747 L HN 0.424 nan 8.230 nan 0.000 0.433 748 N N 0.301 119.084 118.700 0.139 0.000 2.381 748 N HA -0.136 4.603 4.740 -0.001 0.000 0.182 748 N C 1.434 176.997 175.510 0.089 0.000 1.025 748 N CA 1.031 54.144 53.050 0.104 0.000 0.888 748 N CB -0.035 38.505 38.487 0.089 0.000 0.965 748 N HN 0.435 nan 8.380 nan 0.000 0.438 749 K N 0.425 120.883 120.400 0.097 0.000 2.393 749 K HA 0.139 4.458 4.320 -0.001 0.000 0.193 749 K C 0.416 177.074 176.600 0.097 0.000 1.026 749 K CA 0.429 56.767 56.287 0.085 0.000 1.064 749 K CB 0.461 33.007 32.500 0.076 0.000 0.833 749 K HN 0.066 nan 8.250 nan 0.000 0.521 750 K N 0.600 121.070 120.400 0.116 0.000 2.826 750 K HA 0.240 4.559 4.320 -0.001 0.000 0.206 750 K C -0.711 175.941 176.600 0.087 0.000 1.116 750 K CA -0.201 56.152 56.287 0.111 0.000 1.045 750 K CB 0.895 33.490 32.500 0.158 0.000 0.758 750 K HN -0.000 nan 8.250 nan 0.000 0.465 751 R N -0.070 120.479 120.500 0.083 0.000 3.627 751 R HA -0.161 4.178 4.340 -0.001 0.000 0.281 751 R C 0.457 176.809 176.300 0.086 0.000 1.140 751 R CA 0.557 56.703 56.100 0.077 0.000 0.761 751 R CB -2.139 28.200 30.300 0.066 0.000 1.181 751 R HN 0.463 nan 8.270 nan 0.000 0.472 752 G N 0.540 109.399 108.800 0.100 0.000 2.572 752 G HA2 0.279 4.238 3.960 -0.001 0.000 0.261 752 G HA3 0.279 4.238 3.960 -0.001 0.000 0.261 752 G C -0.433 174.541 174.900 0.123 0.000 1.197 752 G CA -0.308 44.858 45.100 0.110 0.000 0.870 752 G HN 0.206 nan 8.290 nan 0.000 0.548 753 Q N 0.532 120.413 119.800 0.136 0.000 2.350 753 Q HA 0.383 4.723 4.340 -0.001 0.000 0.255 753 Q C -0.922 175.119 176.000 0.069 0.000 0.951 753 Q CA -0.646 55.231 55.803 0.124 0.000 0.751 753 Q CB 1.782 30.632 28.738 0.187 0.000 1.296 753 Q HN 0.390 nan 8.270 nan 0.000 0.453 754 V N 4.164 124.123 119.914 0.075 0.000 2.694 754 V HA -0.027 4.092 4.120 -0.001 0.000 0.306 754 V C 0.919 176.997 176.094 -0.027 0.000 1.054 754 V CA 0.339 62.681 62.300 0.069 0.000 1.161 754 V CB 1.079 32.990 31.823 0.146 0.000 0.916 754 V HN 0.803 nan 8.190 nan 0.000 0.490 755 V N 2.868 122.725 119.914 -0.094 0.000 2.806 755 V HA 0.177 4.297 4.120 -0.001 0.000 0.239 755 V C 0.691 176.746 176.094 -0.064 0.000 1.113 755 V CA 1.325 63.528 62.300 -0.161 0.000 1.137 755 V CB 0.938 32.542 31.823 -0.364 0.000 0.865 755 V HN 1.012 nan 8.190 nan 0.000 0.482 756 S N -0.704 114.983 115.700 -0.021 0.000 2.588 756 S HA 0.598 5.068 4.470 -0.001 0.000 0.269 756 S C -1.169 173.476 174.600 0.075 0.000 1.157 756 S CA -0.673 57.539 58.200 0.022 0.000 0.824 756 S CB 2.659 65.860 63.200 0.002 0.000 1.126 756 S HN 0.298 nan 8.310 nan 0.000 0.464 757 E N 0.898 121.159 120.200 0.103 0.000 2.373 757 E HA 0.339 4.688 4.350 -0.001 0.000 0.251 757 E C -0.974 175.728 176.600 0.170 0.000 0.923 757 E CA -0.325 56.177 56.400 0.171 0.000 0.798 757 E CB 0.815 30.644 29.700 0.215 0.000 1.303 757 E HN 0.747 nan 8.360 nan 0.000 0.412 758 E N 3.043 123.324 120.200 0.135 0.000 2.299 758 E HA 0.477 4.827 4.350 -0.001 0.000 0.260 758 E C -0.380 176.208 176.600 -0.020 0.000 0.944 758 E CA -0.956 55.480 56.400 0.060 0.000 0.815 758 E CB 1.990 31.701 29.700 0.019 0.000 1.252 758 E HN 0.323 nan 8.360 nan 0.000 0.418 764 P HA 0.556 nan 4.420 nan 0.000 0.313 764 P C 0.422 177.654 177.300 -0.114 0.000 1.419 764 P CA -0.477 62.561 63.100 -0.104 0.000 0.842 764 P CB 0.433 32.075 31.700 -0.097 0.000 2.041 765 L N -2.678 118.486 121.223 -0.098 0.000 2.793 765 L HA 0.437 4.776 4.340 -0.001 0.000 0.242 765 L C -0.179 176.599 176.870 -0.153 0.000 1.315 765 L CA -0.874 53.938 54.840 -0.048 0.000 1.263 765 L CB -0.057 42.026 42.059 0.041 0.000 2.076 765 L HN 0.019 nan 8.230 nan 0.000 0.575 766 F N -0.446 119.506 119.950 0.004 0.000 2.492 766 F HA 0.443 4.969 4.527 -0.001 0.000 0.327 766 F C 0.067 175.867 175.800 0.001 0.000 1.079 766 F CA -0.521 57.480 58.000 0.003 0.000 0.967 766 F CB 2.050 41.051 39.000 0.001 0.000 1.169 766 F HN 0.254 nan 8.300 nan 0.000 0.472 767 T N 0.571 115.242 114.554 0.194 0.000 2.864 767 T HA 0.677 5.026 4.350 -0.001 0.000 0.299 767 T C -1.080 173.689 174.700 0.114 0.000 1.011 767 T CA -0.733 61.433 62.100 0.110 0.000 0.975 767 T CB 0.577 69.474 68.868 0.048 0.000 0.962 767 T HN 0.264 nan 8.240 nan 0.000 0.448 768 V N 4.152 124.112 119.914 0.078 0.000 2.398 768 V HA 0.513 4.633 4.120 -0.001 0.000 0.286 768 V C 0.133 176.243 176.094 0.028 0.000 1.026 768 V CA -0.764 61.566 62.300 0.050 0.000 0.868 768 V CB 1.421 33.226 31.823 -0.030 0.000 0.982 768 V HN 0.826 nan 8.190 nan 0.000 0.443 769 K N 3.027 123.437 120.400 0.015 0.000 2.207 769 K HA 0.908 5.228 4.320 -0.001 0.000 0.255 769 K C -0.516 176.043 176.600 -0.069 0.000 0.941 769 K CA -0.442 55.826 56.287 -0.032 0.000 0.825 769 K CB 2.341 34.808 32.500 -0.055 0.000 1.119 769 K HN 0.866 nan 8.250 nan 0.000 0.430 770 A N 1.787 124.545 122.820 -0.104 0.000 2.586 770 A HA 0.537 4.856 4.320 -0.001 0.000 0.290 770 A C -2.056 175.464 177.584 -0.107 0.000 1.086 770 A CA -0.763 51.196 52.037 -0.131 0.000 0.665 770 A CB 0.671 19.676 19.000 0.008 0.000 1.279 770 A HN 0.510 nan 8.150 nan 0.000 0.423 771 Y N -0.255 120.069 120.300 0.040 0.000 2.323 771 Y HA 0.651 5.201 4.550 -0.001 0.000 0.331 771 Y C -0.158 175.732 175.900 -0.017 0.000 1.092 771 Y CA -0.904 57.210 58.100 0.023 0.000 1.150 771 Y CB 1.698 40.212 38.460 0.089 0.000 1.200 771 Y HN 0.590 nan 8.280 nan 0.000 0.472 772 L N 6.563 127.857 121.223 0.118 0.000 2.439 772 L HA 0.651 4.991 4.340 -0.001 0.000 0.270 772 L C -2.941 173.891 176.870 -0.063 0.000 0.972 772 L CA -2.358 52.474 54.840 -0.013 0.000 0.836 772 L CB 2.027 43.982 42.059 -0.173 0.000 1.255 772 L HN 0.283 nan 8.230 nan 0.000 0.404 773 P HA 0.049 nan 4.420 nan 0.000 0.266 773 P C 0.870 178.013 177.300 -0.262 0.000 1.195 773 P CA -0.089 62.918 63.100 -0.155 0.000 0.768 773 P CB 0.805 32.468 31.700 -0.061 0.000 0.838 774 V N 2.642 122.282 119.914 -0.457 0.000 2.407 774 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 774 V C 1.783 177.550 176.094 -0.545 0.000 1.055 774 V CA 2.406 64.308 62.300 -0.662 0.000 1.049 774 V CB -1.338 29.982 31.823 -0.838 0.000 0.662 774 V HN 0.676 nan 8.190 nan 0.000 0.455 775 N N 0.099 118.618 118.700 -0.302 0.000 2.571 775 N HA -0.113 4.626 4.740 -0.001 0.000 0.189 775 N C 1.103 176.520 175.510 -0.155 0.000 1.154 775 N CA 0.718 53.668 53.050 -0.166 0.000 0.907 775 N CB -0.201 38.361 38.487 0.126 0.000 0.977 775 N HN 0.458 nan 8.380 nan 0.000 0.449 776 E N -0.680 119.398 120.200 -0.203 0.000 2.562 776 E HA 0.079 4.429 4.350 -0.001 0.000 0.214 776 E C 0.512 177.058 176.600 -0.090 0.000 0.979 776 E CA 0.198 56.552 56.400 -0.077 0.000 1.002 776 E CB 0.470 30.159 29.700 -0.018 0.000 1.048 776 E HN 0.528 nan 8.360 nan 0.000 0.488 777 S N -0.329 115.198 115.700 -0.288 0.000 2.556 777 S HA 0.131 4.600 4.470 -0.001 0.000 0.216 777 S C 0.487 175.086 174.600 -0.002 0.000 0.970 777 S CA -0.459 57.652 58.200 -0.147 0.000 0.912 777 S CB -0.357 62.795 63.200 -0.080 0.000 0.790 777 S HN -0.079 nan 8.310 nan 0.000 0.504 778 F N 2.863 122.925 119.950 0.186 0.000 2.471 778 F HA 0.578 5.104 4.527 -0.001 0.000 0.365 778 F C 1.718 177.614 175.800 0.160 0.000 1.095 778 F CA -0.154 57.943 58.000 0.162 0.000 1.174 778 F CB 0.153 39.226 39.000 0.121 0.000 1.105 778 F HN 0.294 nan 8.300 nan 0.000 0.535 779 G N 2.761 111.762 108.800 0.334 0.000 2.195 779 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.246 779 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.246 779 G C 1.107 176.121 174.900 0.189 0.000 0.984 779 G CA 0.191 45.420 45.100 0.216 0.000 0.633 779 G HN 0.588 nan 8.290 nan 0.000 0.525 780 F N 2.034 122.040 119.950 0.093 0.000 2.087 780 F HA -0.133 4.393 4.527 -0.001 0.000 0.299 780 F C 2.696 178.520 175.800 0.039 0.000 1.100 780 F CA 3.186 61.219 58.000 0.056 0.000 1.226 780 F CB -0.625 38.403 39.000 0.046 0.000 0.983 780 F HN 0.257 nan 8.300 nan 0.000 0.479 781 T N -0.600 114.020 114.554 0.111 0.000 2.699 781 T HA -0.167 4.183 4.350 -0.001 0.000 0.268 781 T C 2.154 176.795 174.700 -0.097 0.000 1.036 781 T CA 1.921 64.019 62.100 -0.003 0.000 1.147 781 T CB -1.148 67.782 68.868 0.102 0.000 0.862 781 T HN 0.445 nan 8.240 nan 0.000 0.446 782 G N 0.385 109.159 108.800 -0.042 0.000 2.414 782 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.215 782 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.215 782 G C 1.540 176.378 174.900 -0.104 0.000 1.188 782 G CA 0.766 45.838 45.100 -0.048 0.000 0.783 782 G HN 0.618 nan 8.290 nan 0.000 0.537 783 E N -0.263 119.856 120.200 -0.136 0.000 2.204 783 E HA -0.076 4.274 4.350 -0.001 0.000 0.195 783 E C 2.365 178.812 176.600 -0.254 0.000 0.990 783 E CA 0.448 56.752 56.400 -0.160 0.000 0.821 783 E CB -0.101 29.521 29.700 -0.131 0.000 0.750 783 E HN 0.338 nan 8.360 nan 0.000 0.477 784 L N 1.788 122.762 121.223 -0.415 0.000 2.027 784 L HA -0.174 4.165 4.340 -0.001 0.000 0.206 784 L C 2.374 179.089 176.870 -0.259 0.000 1.074 784 L CA 1.828 56.406 54.840 -0.437 0.000 0.745 784 L CB -0.271 41.422 42.059 -0.610 0.000 0.898 784 L HN -0.026 nan 8.230 nan 0.000 0.433 785 R N -1.251 119.121 120.500 -0.214 0.000 2.148 785 R HA -0.175 4.164 4.340 -0.001 0.000 0.227 785 R C 2.113 178.338 176.300 -0.124 0.000 1.103 785 R CA 1.314 57.313 56.100 -0.169 0.000 0.983 785 R CB -0.730 29.486 30.300 -0.141 0.000 0.874 785 R HN 0.354 nan 8.270 nan 0.000 0.451 786 Q N 1.254 120.986 119.800 -0.114 0.000 2.079 786 Q HA 0.041 4.380 4.340 -0.001 0.000 0.200 786 Q C 2.022 177.976 176.000 -0.078 0.000 0.974 786 Q CA 2.154 57.909 55.803 -0.080 0.000 0.840 786 Q CB -0.228 28.469 28.738 -0.068 0.000 0.898 786 Q HN 0.499 nan 8.270 nan 0.000 0.430 787 A N -0.860 121.900 122.820 -0.100 0.000 2.123 787 A HA 0.016 4.335 4.320 -0.001 0.000 0.214 787 A C 1.653 179.185 177.584 -0.087 0.000 1.152 787 A CA 1.337 53.323 52.037 -0.085 0.000 0.728 787 A CB -0.260 18.685 19.000 -0.092 0.000 0.814 787 A HN 0.460 nan 8.150 nan 0.000 0.464 788 T N -4.999 109.492 114.554 -0.106 0.000 3.182 788 T HA 0.428 4.777 4.350 -0.001 0.000 0.277 788 T C 1.086 175.737 174.700 -0.082 0.000 1.013 788 T CA 0.813 62.853 62.100 -0.099 0.000 0.900 788 T CB -0.095 68.696 68.868 -0.128 0.000 1.098 788 T HN 1.523 nan 8.240 nan 0.000 0.543 789 G N 1.159 109.917 108.800 -0.071 0.000 2.305 789 G HA2 0.091 4.051 3.960 -0.001 0.000 0.287 789 G HA3 0.091 4.051 3.960 -0.001 0.000 0.287 789 G C 1.096 175.959 174.900 -0.062 0.000 1.036 789 G CA 0.217 45.286 45.100 -0.052 0.000 0.887 789 G HN 1.832 nan 8.290 nan 0.000 0.505 790 G N -1.517 107.223 108.800 -0.100 0.000 2.225 790 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.267 790 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.267 790 G C 0.793 175.583 174.900 -0.183 0.000 1.024 790 G CA 1.269 46.288 45.100 -0.135 0.000 0.784 790 G HN 0.968 nan 8.290 nan 0.000 0.507 791 Q N -0.872 118.827 119.800 -0.167 0.000 2.352 791 Q HA 0.511 4.850 4.340 -0.001 0.000 0.212 791 Q C 1.348 177.225 176.000 -0.205 0.000 0.888 791 Q CA 0.617 56.343 55.803 -0.128 0.000 0.934 791 Q CB 0.787 29.506 28.738 -0.032 0.000 1.093 791 Q HN 0.781 nan 8.270 nan 0.000 0.523 792 A N 0.640 123.278 122.820 -0.303 0.000 2.312 792 A HA 0.626 4.946 4.320 -0.001 0.000 0.326 792 A C -1.099 176.209 177.584 -0.460 0.000 1.172 792 A CA -0.376 51.517 52.037 -0.241 0.000 0.821 792 A CB 0.367 19.279 19.000 -0.147 0.000 1.166 792 A HN 0.164 nan 8.150 nan 0.000 0.493 793 F N 3.668 123.613 119.950 -0.008 0.000 2.382 793 F HA 0.409 4.935 4.527 -0.001 0.000 0.361 793 F C -2.025 173.784 175.800 0.014 0.000 1.109 793 F CA -2.021 55.975 58.000 -0.006 0.000 1.031 793 F CB 2.175 41.140 39.000 -0.058 0.000 1.234 793 F HN 0.359 nan 8.300 nan 0.000 0.445 794 P HA 0.198 nan 4.420 nan 0.000 0.286 794 P C -1.452 175.915 177.300 0.112 0.000 1.261 794 P CA -0.526 62.670 63.100 0.160 0.000 0.821 794 P CB 2.144 33.989 31.700 0.241 0.000 1.013 795 Q N 2.239 122.071 119.800 0.053 0.000 2.331 795 Q HA 0.627 4.966 4.340 -0.001 0.000 0.272 795 Q C -1.452 174.492 176.000 -0.093 0.000 1.062 795 Q CA -0.640 55.157 55.803 -0.009 0.000 0.806 795 Q CB 1.831 30.568 28.738 -0.001 0.000 1.312 795 Q HN 0.433 nan 8.270 nan 0.000 0.431 796 M N 2.910 122.392 119.600 -0.198 0.000 2.378 796 M HA 0.578 5.057 4.480 -0.001 0.000 0.289 796 M C -1.512 174.546 176.300 -0.404 0.000 1.136 796 M CA -0.994 54.064 55.300 -0.403 0.000 0.917 796 M CB 2.493 34.606 32.600 -0.811 0.000 1.669 796 M HN 0.415 nan 8.290 nan 0.000 0.461 797 V N 3.082 122.854 119.914 -0.237 0.000 2.888 797 V HA 0.564 4.683 4.120 -0.001 0.000 0.309 797 V C -1.429 174.822 176.094 0.261 0.000 1.114 797 V CA -0.682 61.605 62.300 -0.021 0.000 0.940 797 V CB 2.261 34.086 31.823 0.003 0.000 1.021 797 V HN 0.731 nan 8.190 nan 0.000 0.426 798 F N 4.834 124.936 119.950 0.254 0.000 2.608 798 F HA 0.258 4.784 4.527 -0.001 0.000 0.380 798 F C 0.728 176.529 175.800 0.001 0.000 1.083 798 F CA 1.153 59.240 58.000 0.145 0.000 1.266 798 F CB 1.073 40.046 39.000 -0.044 0.000 1.076 798 F HN 0.826 nan 8.300 nan 0.000 0.574 799 D N 1.777 121.591 120.400 -0.975 0.000 2.929 799 D HA 0.122 4.761 4.640 -0.001 0.000 0.291 799 D C -0.744 174.960 176.300 -0.992 0.000 1.086 799 D CA 0.827 54.379 54.000 -0.748 0.000 0.971 799 D CB 0.291 40.944 40.800 -0.244 0.000 1.275 799 D HN 0.752 nan 8.370 nan 0.000 0.469 800 H N -3.900 114.460 119.070 -1.183 0.000 2.932 800 H HA 0.465 5.020 4.556 -0.001 0.000 0.307 800 H C -1.821 173.180 175.328 -0.545 0.000 1.391 800 H CA -1.344 54.254 56.048 -0.750 0.000 1.130 800 H CB -0.006 29.515 29.762 -0.402 0.000 1.836 800 H HN -0.052 nan 8.280 nan 0.000 0.522 801 W N 0.536 121.914 121.300 0.129 0.000 2.438 801 W HA 0.644 5.303 4.660 -0.001 0.000 0.324 801 W C 0.012 176.655 176.519 0.207 0.000 1.119 801 W CA -0.681 56.760 57.345 0.160 0.000 1.221 801 W CB 2.129 31.694 29.460 0.175 0.000 1.253 801 W HN 0.596 nan 8.180 nan 0.000 0.555 802 S N 1.427 117.364 115.700 0.396 0.000 2.594 802 S HA 0.450 4.920 4.470 -0.001 0.000 0.296 802 S C -0.567 174.178 174.600 0.243 0.000 1.124 802 S CA -0.620 57.745 58.200 0.274 0.000 1.011 802 S CB 0.722 64.042 63.200 0.200 0.000 1.016 802 S HN 0.308 nan 8.310 nan 0.000 0.485 803 T N 5.721 120.384 114.554 0.182 0.000 2.779 803 T HA 0.301 4.650 4.350 -0.001 0.000 0.296 803 T C 0.098 174.870 174.700 0.119 0.000 0.938 803 T CA -0.092 62.096 62.100 0.147 0.000 1.119 803 T CB -0.091 68.838 68.868 0.101 0.000 0.891 803 T HN 0.517 nan 8.240 nan 0.000 0.526 804 L N 2.840 124.135 121.223 0.120 0.000 2.349 804 L HA 0.346 4.686 4.340 -0.001 0.000 0.275 804 L C 1.753 178.657 176.870 0.056 0.000 1.115 804 L CA -0.429 54.463 54.840 0.087 0.000 0.820 804 L CB 0.673 42.780 42.059 0.080 0.000 1.135 804 L HN 0.848 nan 8.230 nan 0.000 0.445 805 G N 1.387 110.213 108.800 0.043 0.000 2.464 805 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.217 805 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.217 805 G C 0.778 175.687 174.900 0.016 0.000 1.138 805 G CA 0.223 45.339 45.100 0.027 0.000 0.793 805 G HN 0.657 nan 8.290 nan 0.000 0.539 806 S N 0.451 116.159 115.700 0.014 0.000 2.576 806 S HA 0.147 4.616 4.470 -0.001 0.000 0.272 806 S C -0.210 174.388 174.600 -0.003 0.000 1.352 806 S CA -0.573 57.629 58.200 0.003 0.000 1.021 806 S CB 1.382 64.580 63.200 -0.002 0.000 0.887 806 S HN 0.147 nan 8.310 nan 0.000 0.542 807 D N 1.538 121.934 120.400 -0.007 0.000 2.358 807 D HA 0.219 4.859 4.640 -0.001 0.000 0.258 807 D C -1.628 174.661 176.300 -0.018 0.000 1.223 807 D CA -2.097 51.899 54.000 -0.006 0.000 0.886 807 D CB 1.088 41.887 40.800 -0.001 0.000 1.120 807 D HN 0.171 nan 8.370 nan 0.000 0.482 808 P HA -0.081 nan 4.420 nan 0.000 0.220 808 P C 1.178 178.451 177.300 -0.045 0.000 1.148 808 P CA 0.483 63.557 63.100 -0.042 0.000 0.803 808 P CB 0.324 32.029 31.700 0.009 0.000 0.782 809 L N -1.423 119.797 121.223 -0.005 0.000 2.554 809 L HA 0.071 4.411 4.340 -0.001 0.000 0.226 809 L C 0.742 177.605 176.870 -0.011 0.000 1.137 809 L CA 0.931 55.773 54.840 0.003 0.000 0.863 809 L CB -0.917 41.166 42.059 0.039 0.000 0.985 809 L HN -0.084 nan 8.230 nan 0.000 0.451 810 D N -0.208 120.180 120.400 -0.019 0.000 2.428 810 D HA 0.159 4.798 4.640 -0.001 0.000 0.221 810 D C -1.751 174.527 176.300 -0.035 0.000 1.123 810 D CA -2.342 51.645 54.000 -0.020 0.000 0.869 810 D CB 1.577 42.369 40.800 -0.013 0.000 1.032 810 D HN -0.068 nan 8.370 nan 0.000 0.506 811 P HA -0.139 nan 4.420 nan 0.000 0.219 811 P C 1.050 178.326 177.300 -0.039 0.000 1.144 811 P CA 1.378 64.451 63.100 -0.045 0.000 0.806 811 P CB 0.167 31.847 31.700 -0.034 0.000 0.771 812 T N -5.511 109.026 114.554 -0.028 0.000 3.044 812 T HA 0.113 4.462 4.350 -0.001 0.000 0.250 812 T C 0.948 175.636 174.700 -0.020 0.000 1.081 812 T CA -0.047 62.040 62.100 -0.021 0.000 1.040 812 T CB -0.592 68.268 68.868 -0.013 0.000 0.962 812 T HN 0.135 nan 8.240 nan 0.000 0.506 813 S N 0.848 116.532 115.700 -0.026 0.000 2.655 813 S HA 0.374 4.844 4.470 -0.001 0.000 0.265 813 S C 1.152 175.734 174.600 -0.031 0.000 1.240 813 S CA -0.896 57.290 58.200 -0.022 0.000 0.986 813 S CB 1.253 64.440 63.200 -0.021 0.000 0.985 813 S HN 0.272 nan 8.310 nan 0.000 0.562 814 K N 0.573 120.960 120.400 -0.021 0.000 2.009 814 K HA -0.110 4.209 4.320 -0.001 0.000 0.210 814 K C 2.452 179.018 176.600 -0.056 0.000 1.049 814 K CA 1.484 57.758 56.287 -0.021 0.000 0.929 814 K CB -0.791 31.710 32.500 0.002 0.000 0.714 814 K HN 0.729 nan 8.250 nan 0.000 0.440 815 A N 1.113 123.894 122.820 -0.064 0.000 1.930 815 A HA -0.055 4.265 4.320 -0.001 0.000 0.217 815 A C 2.415 179.892 177.584 -0.178 0.000 1.175 815 A CA 1.764 53.728 52.037 -0.120 0.000 0.627 815 A CB -1.023 17.932 19.000 -0.075 0.000 0.815 815 A HN 0.438 nan 8.150 nan 0.000 0.443 816 G N -0.394 108.333 108.800 -0.122 0.000 2.432 816 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.219 816 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.219 816 G C 1.389 176.203 174.900 -0.143 0.000 1.135 816 G CA 0.960 45.981 45.100 -0.130 0.000 0.767 816 G HN 0.664 nan 8.290 nan 0.000 0.550 817 E N 0.028 120.159 120.200 -0.114 0.000 2.072 817 E HA -0.058 4.292 4.350 -0.001 0.000 0.191 817 E C 2.482 179.001 176.600 -0.135 0.000 0.985 817 E CA 0.611 56.955 56.400 -0.093 0.000 0.801 817 E CB -0.131 29.536 29.700 -0.055 0.000 0.750 817 E HN 0.484 nan 8.360 nan 0.000 0.452 818 I N 0.677 121.130 120.570 -0.195 0.000 2.179 818 I HA -0.252 3.917 4.170 -0.001 0.000 0.242 818 I C 2.385 178.257 176.117 -0.408 0.000 1.088 818 I CA 0.804 61.938 61.300 -0.277 0.000 1.357 818 I CB -0.254 37.479 38.000 -0.444 0.000 1.051 818 I HN -0.012 nan 8.210 nan 0.000 0.409 819 V N 0.792 120.376 119.914 -0.549 0.000 2.343 819 V HA -0.274 3.846 4.120 -0.001 0.000 0.247 819 V C 2.403 178.285 176.094 -0.354 0.000 1.051 819 V CA 1.721 63.577 62.300 -0.741 0.000 1.036 819 V CB -0.535 30.917 31.823 -0.619 0.000 0.654 819 V HN 0.364 nan 8.190 nan 0.000 0.451 820 L N 0.888 121.985 121.223 -0.210 0.000 2.017 820 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 820 L C 2.448 179.276 176.870 -0.070 0.000 1.073 820 L CA 2.424 57.200 54.840 -0.106 0.000 0.745 820 L CB -0.993 41.019 42.059 -0.077 0.000 0.894 820 L HN 0.216 nan 8.230 nan 0.000 0.432 821 A N -0.477 122.297 122.820 -0.077 0.000 1.902 821 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 821 A C 2.444 180.014 177.584 -0.023 0.000 1.181 821 A CA 1.903 53.916 52.037 -0.039 0.000 0.623 821 A CB -1.198 17.786 19.000 -0.026 0.000 0.818 821 A HN 0.589 nan 8.150 nan 0.000 0.443 822 A N -0.382 122.436 122.820 -0.003 0.000 1.898 822 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 822 A C 2.247 179.911 177.584 0.133 0.000 1.181 822 A CA 1.406 53.506 52.037 0.104 0.000 0.620 822 A CB -0.448 18.792 19.000 0.399 0.000 0.819 822 A HN 0.542 nan 8.150 nan 0.000 0.442 823 R N -0.121 120.457 120.500 0.130 0.000 2.073 823 R HA -0.119 4.220 4.340 -0.001 0.000 0.234 823 R C 2.200 178.554 176.300 0.090 0.000 1.134 823 R CA 1.705 57.894 56.100 0.148 0.000 0.952 823 R CB -0.312 30.037 30.300 0.080 0.000 0.850 823 R HN 0.492 nan 8.270 nan 0.000 0.433 824 K N 0.210 120.628 120.400 0.030 0.000 2.057 824 K HA -0.161 4.159 4.320 -0.001 0.000 0.207 824 K C 2.172 178.769 176.600 -0.006 0.000 1.049 824 K CA 1.020 57.315 56.287 0.014 0.000 0.931 824 K CB -0.175 32.324 32.500 -0.003 0.000 0.714 824 K HN 0.097 nan 8.250 nan 0.000 0.440 825 R N 0.468 120.930 120.500 -0.062 0.000 2.159 825 R HA -0.134 4.206 4.340 -0.001 0.000 0.237 825 R C 1.282 177.483 176.300 -0.166 0.000 1.131 825 R CA 1.253 57.265 56.100 -0.148 0.000 0.982 825 R CB 0.035 30.184 30.300 -0.251 0.000 0.868 825 R HN 0.310 nan 8.270 nan 0.000 0.453 826 H N -1.319 117.788 119.070 0.060 0.000 2.517 826 H HA 0.188 4.744 4.556 -0.001 0.000 0.282 826 H C 0.779 176.132 175.328 0.042 0.000 1.023 826 H CA 0.625 56.706 56.048 0.054 0.000 1.169 826 H CB 0.822 30.625 29.762 0.068 0.000 1.454 826 H HN 0.472 nan 8.280 nan 0.000 0.556 827 G N 1.585 110.456 108.800 0.119 0.000 2.249 827 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.273 827 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.273 827 G C 0.238 175.186 174.900 0.080 0.000 1.036 827 G CA 0.438 45.587 45.100 0.081 0.000 0.824 827 G HN 0.275 nan 8.290 nan 0.000 0.504 828 M N -1.019 118.639 119.600 0.096 0.000 2.471 828 M HA 0.526 5.005 4.480 -0.001 0.000 0.309 828 M C 0.631 176.962 176.300 0.051 0.000 1.186 828 M CA -1.039 54.307 55.300 0.078 0.000 1.008 828 M CB 1.052 33.714 32.600 0.104 0.000 1.551 828 M HN 0.021 nan 8.290 nan 0.000 0.477 829 K N 1.410 121.831 120.400 0.036 0.000 2.412 829 K HA 0.005 4.324 4.320 -0.001 0.000 0.281 829 K C 0.474 177.087 176.600 0.021 0.000 1.027 829 K CA 0.624 56.923 56.287 0.021 0.000 0.989 829 K CB 0.433 32.938 32.500 0.009 0.000 0.935 829 K HN 0.626 nan 8.250 nan 0.000 0.475 830 E N 2.610 122.817 120.200 0.012 0.000 2.070 830 E HA -0.202 4.148 4.350 -0.001 0.000 0.197 830 E C -0.318 176.282 176.600 -0.000 0.000 1.004 830 E CA 1.422 57.825 56.400 0.005 0.000 0.805 830 E CB -0.024 29.674 29.700 -0.003 0.000 0.744 830 E HN 0.668 nan 8.360 nan 0.000 0.451 831 E N 1.134 121.333 120.200 -0.002 0.000 2.392 831 E HA 0.097 4.446 4.350 -0.001 0.000 0.264 831 E C -0.814 175.790 176.600 0.007 0.000 1.024 831 E CA -0.334 56.064 56.400 -0.004 0.000 0.903 831 E CB 1.440 31.134 29.700 -0.010 0.000 0.963 831 E HN -0.108 nan 8.360 nan 0.000 0.432 832 V N 5.445 125.368 119.914 0.015 0.000 2.432 832 V HA 0.124 4.243 4.120 -0.001 0.000 0.271 832 V C -1.998 174.125 176.094 0.049 0.000 1.046 832 V CA -1.682 60.642 62.300 0.039 0.000 0.945 832 V CB 0.594 32.447 31.823 0.050 0.000 0.992 832 V HN 0.605 nan 8.190 nan 0.000 0.471 833 P HA 0.137 nan 4.420 nan 0.000 0.263 833 P C 0.503 177.887 177.300 0.141 0.000 1.195 833 P CA 0.421 63.549 63.100 0.046 0.000 0.762 833 P CB 0.430 32.136 31.700 0.009 0.000 0.799 834 G N 3.111 111.943 108.800 0.054 0.000 2.651 834 G HA2 0.022 3.981 3.960 -0.001 0.000 0.260 834 G HA3 0.022 3.981 3.960 -0.001 0.000 0.260 834 G C 0.973 175.986 174.900 0.189 0.000 1.216 834 G CA -0.643 44.504 45.100 0.077 0.000 0.913 834 G HN 0.713 nan 8.290 nan 0.000 0.535 835 W N -0.258 121.164 121.300 0.202 0.000 2.350 835 W HA -0.160 4.501 4.660 0.000 0.000 0.289 835 W C 1.530 178.206 176.519 0.261 0.000 1.215 835 W CA 1.077 58.583 57.345 0.268 0.000 1.236 835 W CB -0.648 28.901 29.460 0.148 0.000 1.130 835 W HN 0.509 nan 8.180 nan 0.000 0.541 836 Q N 1.161 120.554 119.800 -0.678 0.000 2.181 836 Q HA -0.188 4.151 4.340 -0.001 0.000 0.205 836 Q C 2.051 177.962 176.000 -0.149 0.000 0.980 836 Q CA 2.275 57.700 55.803 -0.630 0.000 0.862 836 Q CB -0.545 27.678 28.738 -0.859 0.000 0.905 836 Q HN 0.333 nan 8.270 nan 0.000 0.429 837 E N -0.614 119.493 120.200 -0.156 0.000 2.204 837 E HA -0.166 4.184 4.350 -0.001 0.000 0.195 837 E C 0.824 177.229 176.600 -0.324 0.000 0.990 837 E CA 1.081 57.310 56.400 -0.286 0.000 0.821 837 E CB -0.014 29.401 29.700 -0.475 0.000 0.750 837 E HN 0.600 nan 8.360 nan 0.000 0.477 838 Y N -1.814 118.562 120.300 0.127 0.000 2.467 838 Y HA 0.132 4.682 4.550 -0.000 0.000 0.250 838 Y C 0.372 176.386 175.900 0.189 0.000 1.155 838 Y CA -0.562 57.631 58.100 0.155 0.000 1.249 838 Y CB 0.135 38.721 38.460 0.210 0.000 1.146 838 Y HN -0.068 nan 8.280 nan 0.000 0.524 839 Y N 2.172 122.604 120.300 0.220 0.000 2.313 839 Y HA 0.307 4.856 4.550 -0.001 0.000 0.332 839 Y C -0.474 175.477 175.900 0.085 0.000 1.071 839 Y CA -0.916 57.303 58.100 0.199 0.000 1.169 839 Y CB 0.616 39.270 38.460 0.323 0.000 1.192 839 Y HN 0.031 nan 8.280 nan 0.000 0.487 840 D N 6.971 127.141 120.400 -0.385 0.000 2.462 840 D HA 0.122 4.761 4.640 -0.001 0.000 0.249 840 D C -0.481 175.602 176.300 -0.362 0.000 1.117 840 D CA -0.449 53.398 54.000 -0.254 0.000 0.900 840 D CB 1.063 41.746 40.800 -0.195 0.000 1.039 840 D HN 0.538 nan 8.370 nan 0.000 0.516 841 K N 1.928 122.265 120.400 -0.105 0.000 2.440 841 K HA 0.097 4.417 4.320 -0.001 0.000 0.270 841 K C 0.476 177.070 176.600 -0.011 0.000 0.980 841 K CA -0.228 56.089 56.287 0.050 0.000 0.953 841 K CB 0.829 33.454 32.500 0.208 0.000 0.925 841 K HN 0.321 nan 8.250 nan 0.000 0.497 842 L N 0.000 121.243 121.223 0.034 0.000 2.949 842 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 842 L CA 0.000 54.858 54.840 0.030 0.000 0.813 842 L CB 0.000 42.103 42.059 0.074 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502