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 1u2r_1_A 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 LHADAIXRGG 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 0.000 177.371 177.584 -0.355 0.000 1.274 3 A CA 0.000 51.819 52.037 -0.364 0.000 0.836 3 A CB 0.000 18.888 19.000 -0.187 0.000 0.831 4 F N 0.883 120.785 119.950 -0.080 0.000 2.575 4 F HA 0.807 5.334 4.527 -0.000 0.000 0.330 4 F C 1.191 176.957 175.800 -0.056 0.000 1.056 4 F CA -0.185 57.763 58.000 -0.087 0.000 0.964 4 F CB 2.047 40.985 39.000 -0.102 0.000 1.258 4 F HN 0.631 nan 8.300 nan 0.000 0.484 5 T N -2.040 112.620 114.554 0.177 0.000 2.902 5 T HA 0.384 4.734 4.350 -0.000 0.000 0.280 5 T C 0.960 175.689 174.700 0.047 0.000 0.992 5 T CA -0.671 61.472 62.100 0.071 0.000 1.015 5 T CB 1.185 70.072 68.868 0.032 0.000 1.044 5 T HN 0.285 nan 8.240 nan 0.000 0.520 6 V N 1.272 121.202 119.914 0.027 0.000 2.469 6 V HA -0.163 3.957 4.120 -0.000 0.000 0.251 6 V C 2.473 178.561 176.094 -0.009 0.000 1.064 6 V CA 2.069 64.379 62.300 0.016 0.000 1.066 6 V CB -0.771 31.059 31.823 0.011 0.000 0.667 6 V HN 0.897 nan 8.190 nan 0.000 0.461 7 D N -0.563 119.824 120.400 -0.020 0.000 2.117 7 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 7 D C 2.302 178.555 176.300 -0.079 0.000 0.982 7 D CA 1.239 55.215 54.000 -0.041 0.000 0.828 7 D CB -0.042 40.736 40.800 -0.036 0.000 0.967 7 D HN 0.547 nan 8.370 nan 0.000 0.464 8 Q N -0.265 119.471 119.800 -0.107 0.000 2.084 8 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 8 Q C 2.286 178.128 176.000 -0.264 0.000 0.978 8 Q CA 0.870 56.528 55.803 -0.242 0.000 0.844 8 Q CB 0.024 28.549 28.738 -0.354 0.000 0.898 8 Q HN 0.227 nan 8.270 nan 0.000 0.426 9 M N 0.116 119.633 119.600 -0.137 0.000 2.067 9 M HA -0.161 4.319 4.480 -0.000 0.000 0.260 9 M C 2.190 178.454 176.300 -0.060 0.000 1.069 9 M CA 1.496 56.756 55.300 -0.066 0.000 1.117 9 M CB -0.852 31.764 32.600 0.026 0.000 1.334 9 M HN 0.042 nan 8.290 nan 0.000 0.407 10 R N 0.253 120.724 120.500 -0.049 0.000 2.127 10 R HA -0.098 4.242 4.340 -0.000 0.000 0.238 10 R C 2.393 178.658 176.300 -0.059 0.000 1.134 10 R CA 2.063 58.138 56.100 -0.042 0.000 0.975 10 R CB -0.812 29.468 30.300 -0.034 0.000 0.865 10 R HN 0.361 nan 8.270 nan 0.000 0.447 11 S N -0.843 114.807 115.700 -0.084 0.000 2.387 11 S HA -0.035 4.435 4.470 -0.000 0.000 0.226 11 S C 1.653 176.196 174.600 -0.095 0.000 1.026 11 S CA 0.754 58.900 58.200 -0.091 0.000 0.972 11 S CB -0.238 62.894 63.200 -0.113 0.000 0.814 11 S HN 0.297 nan 8.310 nan 0.000 0.477 12 L N 1.550 122.706 121.223 -0.113 0.000 2.093 12 L HA 0.181 4.521 4.340 -0.000 0.000 0.208 12 L C 2.282 179.123 176.870 -0.050 0.000 1.085 12 L CA 1.745 56.533 54.840 -0.087 0.000 0.755 12 L CB -0.765 41.244 42.059 -0.083 0.000 0.904 12 L HN 0.412 nan 8.230 nan 0.000 0.435 13 M N -1.421 118.154 119.600 -0.041 0.000 2.557 13 M HA -0.123 4.357 4.480 -0.000 0.000 0.259 13 M C 1.328 177.604 176.300 -0.039 0.000 1.086 13 M CA 0.704 55.986 55.300 -0.030 0.000 1.096 13 M CB -0.265 32.321 32.600 -0.024 0.000 1.424 13 M HN 0.125 nan 8.290 nan 0.000 0.488 14 D N 1.114 121.486 120.400 -0.046 0.000 2.162 14 D HA -0.023 4.617 4.640 -0.000 0.000 0.203 14 D C 0.528 176.801 176.300 -0.045 0.000 0.967 14 D CA 1.022 54.995 54.000 -0.045 0.000 0.840 14 D CB 0.117 40.888 40.800 -0.048 0.000 0.972 14 D HN 0.316 nan 8.370 nan 0.000 0.482 15 K N 1.514 121.881 120.400 -0.054 0.000 2.502 15 K HA 0.096 4.416 4.320 -0.000 0.000 0.244 15 K C 1.392 177.967 176.600 -0.042 0.000 1.249 15 K CA -0.185 56.068 56.287 -0.057 0.000 1.193 15 K CB 0.811 33.259 32.500 -0.088 0.000 1.674 15 K HN -0.049 nan 8.250 nan 0.000 0.302 16 V N -1.784 118.111 119.914 -0.031 0.000 2.982 16 V HA -0.243 3.876 4.120 -0.000 0.000 0.265 16 V C 1.903 177.996 176.094 -0.002 0.000 1.122 16 V CA 1.986 64.274 62.300 -0.020 0.000 1.143 16 V CB -1.388 30.416 31.823 -0.032 0.000 0.726 16 V HN 0.560 nan 8.190 nan 0.000 0.507 17 T N -1.682 112.872 114.554 -0.001 0.000 2.995 17 T HA -0.033 4.317 4.350 -0.000 0.000 0.269 17 T C 1.151 175.897 174.700 0.076 0.000 1.091 17 T CA 1.437 63.552 62.100 0.025 0.000 1.128 17 T CB -0.596 68.280 68.868 0.013 0.000 0.891 17 T HN 0.541 nan 8.240 nan 0.000 0.492 18 N N 0.704 119.431 118.700 0.045 0.000 2.380 18 N HA 0.410 5.150 4.740 -0.000 0.000 0.255 18 N C -1.123 174.482 175.510 0.158 0.000 1.158 18 N CA -0.154 52.959 53.050 0.105 0.000 0.878 18 N CB 0.943 39.266 38.487 -0.274 0.000 1.138 18 N HN 0.242 nan 8.380 nan 0.000 0.509 19 V N 0.578 120.560 119.914 0.114 0.000 2.815 19 V HA 0.554 4.674 4.120 -0.000 0.000 0.314 19 V C -0.253 175.889 176.094 0.080 0.000 1.064 19 V CA -0.807 61.544 62.300 0.085 0.000 0.952 19 V CB 2.165 34.006 31.823 0.029 0.000 1.020 19 V HN 0.108 nan 8.190 nan 0.000 0.439 20 R N 2.781 123.321 120.500 0.066 0.000 2.500 20 R HA 0.396 4.736 4.340 -0.000 0.000 0.299 20 R C -1.147 175.174 176.300 0.034 0.000 1.038 20 R CA -0.389 55.736 56.100 0.041 0.000 0.903 20 R CB 1.503 31.819 30.300 0.027 0.000 1.177 20 R HN 0.763 nan 8.270 nan 0.000 0.455 21 N N 3.755 122.469 118.700 0.024 0.000 2.437 21 N HA 0.501 5.241 4.740 -0.000 0.000 0.259 21 N C -0.146 175.386 175.510 0.036 0.000 0.983 21 N CA -0.485 52.582 53.050 0.027 0.000 0.937 21 N CB 1.070 39.558 38.487 0.001 0.000 1.122 21 N HN 0.379 nan 8.380 nan 0.000 0.499 22 M N -0.429 119.196 119.600 0.042 0.000 2.924 22 M HA 0.654 5.134 4.480 -0.000 0.000 0.271 22 M C -0.998 175.322 176.300 0.034 0.000 1.280 22 M CA -0.918 54.402 55.300 0.034 0.000 0.813 22 M CB 1.295 33.906 32.600 0.018 0.000 1.658 22 M HN 0.291 nan 8.290 nan 0.000 0.467 23 S N -0.785 114.924 115.700 0.016 0.000 2.705 23 S HA 0.952 5.422 4.470 -0.000 0.000 0.280 23 S C -1.457 173.132 174.600 -0.018 0.000 1.174 23 S CA -0.791 57.411 58.200 0.005 0.000 0.823 23 S CB 1.576 64.781 63.200 0.008 0.000 1.162 23 S HN 1.020 nan 8.310 nan 0.000 0.487 24 V N 1.460 121.356 119.914 -0.030 0.000 2.417 24 V HA 0.510 4.630 4.120 -0.000 0.000 0.291 24 V C -0.638 175.423 176.094 -0.055 0.000 1.024 24 V CA -0.593 61.681 62.300 -0.044 0.000 0.861 24 V CB 1.067 32.864 31.823 -0.043 0.000 0.985 24 V HN 0.798 nan 8.190 nan 0.000 0.436 25 I N 4.328 124.861 120.570 -0.062 0.000 2.339 25 I HA 0.801 4.971 4.170 -0.000 0.000 0.290 25 I C 0.196 176.271 176.117 -0.070 0.000 0.994 25 I CA -0.213 61.041 61.300 -0.076 0.000 1.191 25 I CB 1.563 39.516 38.000 -0.078 0.000 1.343 25 I HN 0.762 nan 8.210 nan 0.000 0.458 26 A N 5.365 128.135 122.820 -0.083 0.000 2.566 26 A HA 0.401 4.721 4.320 -0.000 0.000 0.297 26 A C -1.191 176.319 177.584 -0.124 0.000 1.059 26 A CA -0.610 51.388 52.037 -0.065 0.000 0.691 26 A CB 1.332 20.320 19.000 -0.020 0.000 1.282 26 A HN 0.729 nan 8.150 nan 0.000 0.401 27 H N 1.716 120.580 119.070 -0.343 0.000 2.707 27 H HA 0.407 4.963 4.556 -0.000 0.000 0.359 27 H C 0.518 175.614 175.328 -0.387 0.000 1.113 27 H CA 0.842 56.608 56.048 -0.470 0.000 1.422 27 H CB 1.192 30.460 29.762 -0.822 0.000 1.443 27 H HN 0.766 nan 8.280 nan 0.000 0.591 28 V N 2.609 122.436 119.914 -0.144 0.000 2.843 28 V HA -0.061 4.059 4.120 -0.000 0.000 0.305 28 V C 0.821 177.008 176.094 0.154 0.000 1.120 28 V CA 0.447 62.751 62.300 0.006 0.000 1.254 28 V CB 0.127 31.930 31.823 -0.035 0.000 0.901 28 V HN 1.035 nan 8.190 nan 0.000 0.503 29 D N 0.083 120.549 120.400 0.109 0.000 2.946 29 D HA -0.233 4.407 4.640 -0.000 0.000 0.202 29 D C 0.887 177.314 176.300 0.212 0.000 1.068 29 D CA 1.950 56.033 54.000 0.139 0.000 1.011 29 D CB -1.079 39.807 40.800 0.142 0.000 1.105 29 D HN 0.998 nan 8.370 nan 0.000 0.425 30 H N 0.026 119.107 119.070 0.020 0.000 2.556 30 H HA 0.243 4.799 4.556 -0.000 0.000 0.268 30 H C 1.825 177.130 175.328 -0.038 0.000 0.996 30 H CA 0.589 56.627 56.048 -0.016 0.000 1.157 30 H CB 0.426 30.182 29.762 -0.011 0.000 1.355 30 H HN 0.403 nan 8.280 nan 0.000 0.597 31 G N 1.703 110.549 108.800 0.077 0.000 2.131 31 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.201 31 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.201 31 G C 1.018 175.915 174.900 -0.005 0.000 1.000 31 G CA 0.433 45.539 45.100 0.010 0.000 0.680 31 G HN 0.432 nan 8.290 nan 0.000 0.514 32 K N 0.556 120.959 120.400 0.004 0.000 2.063 32 K HA -0.063 4.257 4.320 -0.000 0.000 0.208 32 K C 2.556 179.142 176.600 -0.024 0.000 1.048 32 K CA 2.183 58.459 56.287 -0.018 0.000 0.928 32 K CB -0.299 32.185 32.500 -0.026 0.000 0.713 32 K HN 0.337 nan 8.250 nan 0.000 0.442 33 S N 0.070 115.759 115.700 -0.019 0.000 2.345 33 S HA -0.143 4.327 4.470 -0.000 0.000 0.220 33 S C 2.046 176.636 174.600 -0.016 0.000 1.031 33 S CA 1.836 60.025 58.200 -0.019 0.000 0.996 33 S CB -0.546 62.645 63.200 -0.015 0.000 0.882 33 S HN 0.723 nan 8.310 nan 0.000 0.445 34 T N 0.947 115.492 114.554 -0.015 0.000 2.915 34 T HA 0.083 4.433 4.350 -0.000 0.000 0.269 34 T C 1.700 176.387 174.700 -0.021 0.000 1.071 34 T CA 0.733 62.825 62.100 -0.013 0.000 1.132 34 T CB -0.509 68.351 68.868 -0.014 0.000 0.878 34 T HN 0.242 nan 8.240 nan 0.000 0.479 35 L N 1.544 122.747 121.223 -0.032 0.000 2.072 35 L HA -0.011 4.329 4.340 -0.000 0.000 0.205 35 L C 3.348 180.202 176.870 -0.027 0.000 1.079 35 L CA 1.750 56.566 54.840 -0.041 0.000 0.752 35 L CB -0.919 41.106 42.059 -0.056 0.000 0.906 35 L HN 0.537 nan 8.230 nan 0.000 0.436 36 T N -4.116 110.424 114.554 -0.023 0.000 2.904 36 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 36 T C 1.479 176.175 174.700 -0.006 0.000 1.059 36 T CA 1.121 63.211 62.100 -0.015 0.000 1.137 36 T CB -0.246 68.611 68.868 -0.018 0.000 0.879 36 T HN 0.169 nan 8.240 nan 0.000 0.467 37 D N 1.296 121.692 120.400 -0.006 0.000 2.117 37 D HA -0.075 4.565 4.640 -0.000 0.000 0.197 37 D C 2.384 178.688 176.300 0.008 0.000 0.987 37 D CA 1.453 55.455 54.000 0.002 0.000 0.829 37 D CB -0.625 40.177 40.800 0.004 0.000 0.961 37 D HN 0.508 nan 8.370 nan 0.000 0.460 38 S N -0.086 115.617 115.700 0.005 0.000 2.359 38 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 38 S C 2.146 176.754 174.600 0.012 0.000 1.035 38 S CA 0.721 58.927 58.200 0.011 0.000 1.018 38 S CB -0.323 62.878 63.200 0.003 0.000 0.876 38 S HN 0.193 nan 8.310 nan 0.000 0.448 39 L N 0.913 122.139 121.223 0.006 0.000 2.017 39 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 39 L C 2.592 179.474 176.870 0.021 0.000 1.073 39 L CA 1.230 56.076 54.840 0.011 0.000 0.745 39 L CB -0.608 41.453 42.059 0.004 0.000 0.894 39 L HN 0.254 nan 8.230 nan 0.000 0.432 40 V N -0.476 119.449 119.914 0.019 0.000 2.343 40 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 40 V C 2.423 178.530 176.094 0.022 0.000 1.051 40 V CA 1.722 64.036 62.300 0.024 0.000 1.036 40 V CB -0.541 31.294 31.823 0.019 0.000 0.654 40 V HN 0.513 nan 8.190 nan 0.000 0.451 41 Q N -0.554 119.258 119.800 0.020 0.000 2.167 41 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 41 Q C 2.419 178.433 176.000 0.022 0.000 0.970 41 Q CA 1.565 57.380 55.803 0.020 0.000 0.855 41 Q CB -0.134 28.617 28.738 0.022 0.000 0.911 41 Q HN 0.479 nan 8.270 nan 0.000 0.438 42 R N 0.045 120.561 120.500 0.028 0.000 2.112 42 R HA 0.055 4.395 4.340 -0.000 0.000 0.216 42 R C 1.015 177.341 176.300 0.044 0.000 1.080 42 R CA 1.473 57.594 56.100 0.034 0.000 0.996 42 R CB 0.131 30.452 30.300 0.035 0.000 0.902 42 R HN 0.108 nan 8.270 nan 0.000 0.449 43 A N -0.768 122.081 122.820 0.049 0.000 2.671 43 A HA 0.429 4.749 4.320 -0.000 0.000 0.265 43 A C 0.618 178.249 177.584 0.077 0.000 1.148 43 A CA -0.017 52.067 52.037 0.078 0.000 0.977 43 A CB 0.031 19.086 19.000 0.090 0.000 1.242 43 A HN 0.348 nan 8.150 nan 0.000 0.591 44 G N 0.357 109.184 108.800 0.044 0.000 2.474 44 G HA2 0.373 4.333 3.960 -0.000 0.000 0.233 44 G HA3 0.373 4.333 3.960 -0.000 0.000 0.233 44 G C -0.126 174.780 174.900 0.011 0.000 1.278 44 G CA 0.316 45.440 45.100 0.039 0.000 0.861 44 G HN 0.351 nan 8.290 nan 0.000 0.567 45 I N 1.068 121.655 120.570 0.030 0.000 2.493 45 I HA 0.482 4.652 4.170 -0.000 0.000 0.298 45 I C -0.045 176.070 176.117 -0.002 0.000 0.998 45 I CA -0.542 60.747 61.300 -0.018 0.000 1.137 45 I CB 1.866 39.927 38.000 0.102 0.000 1.310 45 I HN 0.224 nan 8.210 nan 0.000 0.445 46 I N 3.078 123.612 120.570 -0.059 0.000 2.769 46 I HA 0.239 4.408 4.170 -0.000 0.000 0.298 46 I C -0.082 176.016 176.117 -0.033 0.000 1.128 46 I CA -0.615 60.669 61.300 -0.027 0.000 1.031 46 I CB 2.376 40.346 38.000 -0.049 0.000 1.235 46 I HN 0.446 nan 8.210 nan 0.000 0.423 47 S N 3.020 118.712 115.700 -0.013 0.000 2.558 47 S HA 0.316 4.786 4.470 -0.000 0.000 0.288 47 S C 0.471 175.051 174.600 -0.034 0.000 1.318 47 S CA -0.454 57.742 58.200 -0.006 0.000 1.056 47 S CB 0.881 64.069 63.200 -0.020 0.000 0.853 47 S HN 0.654 nan 8.310 nan 0.000 0.505 68 I N 3.190 123.813 120.570 0.090 0.000 2.315 68 I HA 0.413 4.583 4.170 -0.000 0.000 0.291 68 I C 0.594 176.741 176.117 0.050 0.000 1.006 68 I CA -0.299 61.032 61.300 0.051 0.000 1.265 68 I CB 1.692 39.737 38.000 0.075 0.000 1.387 68 I HN 0.195 nan 8.210 nan 0.000 0.475 69 T N 5.137 119.659 114.554 -0.053 0.000 2.932 69 T HA 0.823 5.173 4.350 -0.000 0.000 0.289 69 T C -0.308 174.249 174.700 -0.239 0.000 1.039 69 T CA -0.740 61.268 62.100 -0.153 0.000 1.024 69 T CB 2.270 71.021 68.868 -0.194 0.000 1.090 69 T HN 0.510 nan 8.240 nan 0.000 0.496 70 I N -2.175 118.223 120.570 -0.286 0.000 3.264 70 I HA 0.673 4.843 4.170 -0.000 0.000 0.315 70 I C -0.684 175.269 176.117 -0.273 0.000 1.154 70 I CA -1.707 59.416 61.300 -0.294 0.000 0.962 70 I CB 2.221 40.067 38.000 -0.256 0.000 1.265 70 I HN 0.709 nan 8.210 nan 0.000 0.463 71 K N 2.012 122.262 120.400 -0.249 0.000 2.297 71 K HA 0.220 4.540 4.320 -0.000 0.000 0.286 71 K C 0.011 176.488 176.600 -0.204 0.000 1.053 71 K CA -0.161 55.999 56.287 -0.212 0.000 0.940 71 K CB 1.061 33.451 32.500 -0.183 0.000 1.019 71 K HN 0.712 nan 8.250 nan 0.000 0.475 72 S N 3.079 118.663 115.700 -0.193 0.000 2.629 72 S HA -0.017 4.453 4.470 -0.000 0.000 0.302 72 S C 0.336 174.823 174.600 -0.188 0.000 1.244 72 S CA 0.047 58.142 58.200 -0.174 0.000 1.098 72 S CB 0.188 63.303 63.200 -0.143 0.000 0.858 72 S HN 0.755 nan 8.310 nan 0.000 0.502 73 T N 3.897 118.308 114.554 -0.238 0.000 2.964 73 T HA 0.538 4.888 4.350 -0.000 0.000 0.249 73 T C 0.152 174.628 174.700 -0.373 0.000 1.000 73 T CA 0.407 62.274 62.100 -0.389 0.000 0.992 73 T CB 0.522 68.992 68.868 -0.663 0.000 1.087 73 T HN 0.821 nan 8.240 nan 0.000 0.489 74 A N 0.948 123.648 122.820 -0.201 0.000 2.589 74 A HA 0.769 5.088 4.320 -0.000 0.000 0.296 74 A C -1.897 175.694 177.584 0.011 0.000 1.062 74 A CA -0.780 51.226 52.037 -0.053 0.000 0.686 74 A CB 1.047 20.095 19.000 0.080 0.000 1.282 74 A HN 0.269 nan 8.150 nan 0.000 0.404 75 I N 0.802 121.395 120.570 0.038 0.000 2.608 75 I HA 0.481 4.651 4.170 -0.000 0.000 0.295 75 I C 0.004 176.168 176.117 0.079 0.000 1.049 75 I CA -0.663 60.669 61.300 0.052 0.000 1.063 75 I CB 2.503 40.522 38.000 0.032 0.000 1.248 75 I HN 0.511 nan 8.210 nan 0.000 0.424 76 S N 5.235 120.993 115.700 0.097 0.000 2.489 76 S HA 0.697 5.167 4.470 -0.000 0.000 0.291 76 S C -0.598 174.078 174.600 0.127 0.000 1.151 76 S CA -0.536 57.737 58.200 0.121 0.000 1.082 76 S CB 1.321 64.608 63.200 0.145 0.000 1.019 76 S HN 0.207 nan 8.310 nan 0.000 0.492 77 L N 2.586 123.894 121.223 0.142 0.000 2.341 77 L HA 0.585 4.925 4.340 -0.000 0.000 0.267 77 L C -0.889 176.127 176.870 0.242 0.000 1.009 77 L CA -0.724 54.207 54.840 0.151 0.000 0.819 77 L CB 1.211 43.328 42.059 0.096 0.000 1.323 77 L HN 0.732 nan 8.230 nan 0.000 0.425 78 Y N 0.981 121.356 120.300 0.125 0.000 2.391 78 Y HA 0.720 5.269 4.550 -0.000 0.000 0.341 78 Y C -0.577 175.418 175.900 0.158 0.000 0.965 78 Y CA -0.333 57.880 58.100 0.189 0.000 1.067 78 Y CB 2.002 40.632 38.460 0.283 0.000 1.199 78 Y HN 0.562 nan 8.280 nan 0.000 0.450 79 S N 4.512 119.912 115.700 -0.500 0.000 2.536 79 S HA 0.544 5.014 4.470 -0.000 0.000 0.271 79 S C -1.867 172.557 174.600 -0.293 0.000 1.134 79 S CA -0.721 57.313 58.200 -0.277 0.000 0.897 79 S CB 1.219 64.385 63.200 -0.057 0.000 1.094 79 S HN 0.764 nan 8.310 nan 0.000 0.473 80 E N 3.328 123.463 120.200 -0.109 0.000 2.210 80 E HA 0.479 4.829 4.350 -0.000 0.000 0.266 80 E C -0.791 175.863 176.600 0.089 0.000 0.883 80 E CA -0.897 55.511 56.400 0.013 0.000 0.761 80 E CB 1.649 31.375 29.700 0.042 0.000 1.156 80 E HN 0.475 nan 8.360 nan 0.000 0.412 81 M N 1.256 120.956 119.600 0.166 0.000 2.644 81 M HA 0.308 4.788 4.480 -0.000 0.000 0.316 81 M C 0.350 176.700 176.300 0.084 0.000 1.200 81 M CA -0.839 54.524 55.300 0.104 0.000 0.944 81 M CB 1.695 34.359 32.600 0.106 0.000 1.691 81 M HN 0.553 nan 8.290 nan 0.000 0.471 82 S N -0.139 115.589 115.700 0.047 0.000 2.593 82 S HA 0.133 4.603 4.470 -0.000 0.000 0.269 82 S C 0.613 175.237 174.600 0.041 0.000 1.334 82 S CA -0.434 57.789 58.200 0.038 0.000 1.015 82 S CB 0.758 63.972 63.200 0.023 0.000 0.912 82 S HN 0.633 nan 8.310 nan 0.000 0.541 83 D N 1.357 121.777 120.400 0.033 0.000 2.158 83 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 83 D C 1.960 178.275 176.300 0.025 0.000 0.995 83 D CA 1.997 56.015 54.000 0.030 0.000 0.846 83 D CB -0.158 40.655 40.800 0.021 0.000 0.941 83 D HN 0.959 nan 8.370 nan 0.000 0.456 84 E N 1.125 121.335 120.200 0.018 0.000 2.047 84 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 84 E C 1.440 178.044 176.600 0.006 0.000 0.987 84 E CA 1.088 57.495 56.400 0.011 0.000 0.799 84 E CB -0.138 29.567 29.700 0.009 0.000 0.752 84 E HN -0.006 nan 8.360 nan 0.000 0.449 85 D N 1.126 121.528 120.400 0.004 0.000 2.106 85 D HA -0.164 4.476 4.640 -0.000 0.000 0.191 85 D C 2.199 178.491 176.300 -0.014 0.000 0.997 85 D CA 1.698 55.690 54.000 -0.014 0.000 0.834 85 D CB -0.447 40.342 40.800 -0.020 0.000 0.956 85 D HN 0.117 nan 8.370 nan 0.000 0.448 86 V N 0.832 120.764 119.914 0.029 0.000 2.546 86 V HA -0.246 3.874 4.120 -0.000 0.000 0.254 86 V C 2.215 178.330 176.094 0.034 0.000 1.076 86 V CA 1.502 63.842 62.300 0.066 0.000 1.087 86 V CB -0.386 31.514 31.823 0.128 0.000 0.674 86 V HN 0.232 nan 8.190 nan 0.000 0.470 87 K N -0.352 120.059 120.400 0.018 0.000 2.217 87 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 87 K C 2.025 178.623 176.600 -0.004 0.000 1.051 87 K CA 1.089 57.382 56.287 0.010 0.000 0.952 87 K CB -0.080 32.425 32.500 0.009 0.000 0.736 87 K HN 0.569 nan 8.250 nan 0.000 0.453 88 E N 0.679 120.868 120.200 -0.019 0.000 2.347 88 E HA -0.035 4.314 4.350 -0.000 0.000 0.196 88 E C 0.113 176.675 176.600 -0.063 0.000 1.008 88 E CA 0.169 56.547 56.400 -0.037 0.000 0.852 88 E CB 0.055 29.727 29.700 -0.046 0.000 0.783 88 E HN 0.265 nan 8.360 nan 0.000 0.505 89 I N 2.563 123.091 120.570 -0.070 0.000 2.671 89 I HA -0.075 4.095 4.170 -0.000 0.000 0.285 89 I C 0.678 176.771 176.117 -0.039 0.000 1.148 89 I CA 0.509 61.756 61.300 -0.089 0.000 1.386 89 I CB 0.313 38.273 38.000 -0.066 0.000 1.406 89 I HN -0.174 nan 8.210 nan 0.000 0.540 90 K N 7.624 128.001 120.400 -0.039 0.000 3.225 90 K HA 0.022 4.342 4.320 -0.000 0.000 0.282 90 K C -0.023 176.585 176.600 0.014 0.000 1.060 90 K CA 0.006 56.292 56.287 -0.002 0.000 1.186 90 K CB -0.268 32.240 32.500 0.014 0.000 1.214 90 K HN 0.636 nan 8.250 nan 0.000 0.428 91 Q N -1.210 118.599 119.800 0.014 0.000 2.527 91 Q HA 0.223 4.562 4.340 -0.000 0.000 0.280 91 Q C -1.346 174.676 176.000 0.036 0.000 0.977 91 Q CA -1.113 54.708 55.803 0.030 0.000 0.837 91 Q CB 0.926 29.685 28.738 0.036 0.000 1.454 91 Q HN -0.118 nan 8.270 nan 0.000 0.387 92 K N 1.493 121.914 120.400 0.035 0.000 2.441 92 K HA 0.026 4.346 4.320 -0.000 0.000 0.273 92 K C -1.011 175.618 176.600 0.049 0.000 1.090 92 K CA 1.165 57.471 56.287 0.033 0.000 1.158 92 K CB 0.142 32.656 32.500 0.023 0.000 0.847 92 K HN 0.580 nan 8.250 nan 0.000 0.483 93 T N 3.276 117.860 114.554 0.049 0.000 2.876 93 T HA 0.151 4.500 4.350 -0.000 0.000 0.289 93 T C -1.156 173.550 174.700 0.010 0.000 1.014 93 T CA -0.773 61.368 62.100 0.068 0.000 0.986 93 T CB 1.413 70.357 68.868 0.126 0.000 1.021 93 T HN 0.477 nan 8.240 nan 0.000 0.458 94 D N 1.436 121.812 120.400 -0.041 0.000 2.412 94 D HA 0.525 5.165 4.640 -0.000 0.000 0.276 94 D C 0.488 176.705 176.300 -0.139 0.000 1.196 94 D CA 0.420 54.376 54.000 -0.073 0.000 0.905 94 D CB -0.065 40.694 40.800 -0.068 0.000 1.081 94 D HN 1.000 nan 8.370 nan 0.000 0.502 95 G N 2.861 111.592 108.800 -0.114 0.000 2.610 95 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.304 95 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.304 95 G C 0.274 175.045 174.900 -0.215 0.000 1.309 95 G CA -0.594 44.420 45.100 -0.144 0.000 0.906 95 G HN 0.365 nan 8.290 nan 0.000 0.521 96 N N -0.101 118.481 118.700 -0.198 0.000 2.203 96 N HA 0.294 5.034 4.740 -0.000 0.000 0.207 96 N C 0.372 175.682 175.510 -0.333 0.000 1.130 96 N CA 0.604 53.562 53.050 -0.154 0.000 0.861 96 N CB 0.931 39.417 38.487 -0.001 0.000 1.005 96 N HN 0.507 nan 8.380 nan 0.000 0.507 97 S N 0.362 115.733 115.700 -0.548 0.000 2.541 97 S HA 0.585 5.055 4.470 -0.000 0.000 0.283 97 S C -0.701 173.329 174.600 -0.949 0.000 1.196 97 S CA -0.334 57.550 58.200 -0.527 0.000 1.062 97 S CB 0.780 63.877 63.200 -0.172 0.000 1.009 97 S HN 0.037 nan 8.310 nan 0.000 0.502 98 F N 1.673 121.459 119.950 -0.272 0.000 2.578 98 F HA 0.546 5.073 4.527 -0.000 0.000 0.311 98 F C -0.576 175.158 175.800 -0.111 0.000 1.094 98 F CA -0.977 56.930 58.000 -0.154 0.000 0.923 98 F CB 1.417 40.334 39.000 -0.139 0.000 1.230 98 F HN 0.311 nan 8.300 nan 0.000 0.450 99 L N 4.677 125.986 121.223 0.144 0.000 2.305 99 L HA 0.696 5.036 4.340 -0.000 0.000 0.284 99 L C -1.213 175.737 176.870 0.133 0.000 1.013 99 L CA -0.373 54.560 54.840 0.155 0.000 0.819 99 L CB 0.839 42.974 42.059 0.126 0.000 1.227 99 L HN 0.504 nan 8.230 nan 0.000 0.417 100 I N 4.736 125.382 120.570 0.127 0.000 2.389 100 I HA 0.352 4.522 4.170 -0.000 0.000 0.288 100 I C -0.441 175.729 176.117 0.088 0.000 0.999 100 I CA -0.427 60.927 61.300 0.090 0.000 1.129 100 I CB 1.379 39.418 38.000 0.066 0.000 1.288 100 I HN 0.632 nan 8.210 nan 0.000 0.444 101 N N 6.425 125.171 118.700 0.076 0.000 2.462 101 N HA 0.334 5.073 4.740 -0.000 0.000 0.242 101 N C -0.884 174.670 175.510 0.074 0.000 1.010 101 N CA -0.564 52.537 53.050 0.085 0.000 0.939 101 N CB 1.166 39.705 38.487 0.086 0.000 1.127 101 N HN 0.367 nan 8.380 nan 0.000 0.509 102 L N 4.828 126.090 121.223 0.066 0.000 2.282 102 L HA 0.415 4.755 4.340 -0.000 0.000 0.287 102 L C -0.831 176.068 176.870 0.048 0.000 1.075 102 L CA -0.221 54.646 54.840 0.044 0.000 0.839 102 L CB 0.041 42.117 42.059 0.028 0.000 1.219 102 L HN 0.495 nan 8.230 nan 0.000 0.434 103 I N 3.582 124.189 120.570 0.062 0.000 2.365 103 I HA 0.164 4.334 4.170 -0.000 0.000 0.291 103 I C 0.197 176.322 176.117 0.012 0.000 1.004 103 I CA -0.628 60.716 61.300 0.074 0.000 1.311 103 I CB 1.116 39.217 38.000 0.169 0.000 1.401 103 I HN 0.517 nan 8.210 nan 0.000 0.491 104 D N 4.910 125.281 120.400 -0.050 0.000 2.414 104 D HA 0.194 4.834 4.640 -0.000 0.000 0.242 104 D C -0.467 175.801 176.300 -0.053 0.000 1.129 104 D CA 0.211 54.168 54.000 -0.072 0.000 0.885 104 D CB 0.804 41.531 40.800 -0.121 0.000 1.198 104 D HN 0.550 nan 8.370 nan 0.000 0.437 105 S N 2.337 118.002 115.700 -0.059 0.000 2.526 105 S HA 0.717 5.187 4.470 -0.000 0.000 0.293 105 S C -2.627 171.905 174.600 -0.113 0.000 1.092 105 S CA -1.410 56.750 58.200 -0.068 0.000 0.980 105 S CB 1.636 64.794 63.200 -0.070 0.000 1.048 105 S HN 0.250 nan 8.310 nan 0.000 0.483 106 P HA 0.250 nan 4.420 nan 0.000 0.271 106 P C 0.913 178.028 177.300 -0.309 0.000 1.233 106 P CA -0.168 62.788 63.100 -0.240 0.000 0.795 106 P CB 0.187 31.611 31.700 -0.461 0.000 0.936 107 G N -1.055 107.608 108.800 -0.228 0.000 3.126 107 G HA2 0.017 3.977 3.960 -0.000 0.000 0.224 107 G HA3 0.017 3.977 3.960 -0.000 0.000 0.224 107 G C -0.214 174.581 174.900 -0.174 0.000 1.142 107 G CA 0.056 45.049 45.100 -0.178 0.000 0.759 107 G HN 0.703 nan 8.290 nan 0.000 0.550 108 H N -0.306 118.715 119.070 -0.082 0.000 2.742 108 H HA 0.495 5.051 4.556 -0.000 0.000 0.302 108 H C -0.375 174.886 175.328 -0.112 0.000 1.069 108 H CA -1.010 54.988 56.048 -0.084 0.000 1.446 108 H CB 1.423 31.156 29.762 -0.048 0.000 1.462 108 H HN -0.014 nan 8.280 nan 0.000 0.499 109 V N 1.537 121.384 119.914 -0.112 0.000 2.260 109 V HA 0.230 4.350 4.120 -0.000 0.000 0.263 109 V C -0.447 175.540 176.094 -0.179 0.000 1.036 109 V CA -0.710 61.465 62.300 -0.208 0.000 0.874 109 V CB 0.025 31.673 31.823 -0.291 0.000 1.116 109 V HN 0.998 nan 8.190 nan 0.000 0.454 110 D N 0.752 121.109 120.400 -0.072 0.000 2.571 110 D HA 0.318 4.958 4.640 -0.000 0.000 0.239 110 D C 0.269 176.650 176.300 0.136 0.000 1.267 110 D CA -0.834 53.178 54.000 0.020 0.000 0.823 110 D CB -0.116 40.725 40.800 0.069 0.000 1.056 110 D HN 0.267 nan 8.370 nan 0.000 0.494 111 F N 0.553 120.490 119.950 -0.022 0.000 3.080 111 F HA -0.293 4.234 4.527 -0.000 0.000 0.292 111 F C 0.718 176.523 175.800 0.008 0.000 0.891 111 F CA 0.506 58.486 58.000 -0.033 0.000 1.086 111 F CB -2.122 36.839 39.000 -0.066 0.000 1.095 111 F HN 0.221 nan 8.300 nan 0.000 0.633 112 S N -0.437 115.363 115.700 0.167 0.000 2.593 112 S HA 0.356 4.826 4.470 -0.000 0.000 0.269 112 S C 1.264 175.973 174.600 0.182 0.000 1.334 112 S CA -0.155 58.161 58.200 0.193 0.000 1.015 112 S CB 1.697 65.083 63.200 0.309 0.000 0.912 112 S HN 0.525 nan 8.310 nan 0.000 0.541 113 S N 0.453 116.262 115.700 0.180 0.000 2.527 113 S HA -0.006 4.464 4.470 -0.000 0.000 0.222 113 S C 1.164 175.878 174.600 0.189 0.000 0.985 113 S CA 0.044 58.350 58.200 0.178 0.000 0.921 113 S CB -0.408 62.903 63.200 0.186 0.000 0.772 113 S HN 0.766 nan 8.310 nan 0.000 0.529 114 E N 1.773 122.112 120.200 0.231 0.000 2.107 114 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 114 E C 2.189 178.897 176.600 0.180 0.000 0.982 114 E CA 0.729 57.278 56.400 0.247 0.000 0.809 114 E CB -0.815 29.110 29.700 0.376 0.000 0.756 114 E HN 0.485 nan 8.360 nan 0.000 0.459 115 V N 1.674 121.661 119.914 0.122 0.000 2.323 115 V HA -0.189 3.930 4.120 -0.000 0.000 0.244 115 V C 2.371 178.498 176.094 0.055 0.000 1.041 115 V CA 2.085 64.384 62.300 -0.002 0.000 1.025 115 V CB -0.968 30.795 31.823 -0.100 0.000 0.656 115 V HN 0.250 nan 8.190 nan 0.000 0.451 116 T N 0.570 115.178 114.554 0.089 0.000 2.737 116 T HA -0.217 4.133 4.350 -0.000 0.000 0.269 116 T C 2.033 176.815 174.700 0.138 0.000 1.040 116 T CA 1.728 63.889 62.100 0.101 0.000 1.142 116 T CB -0.422 68.515 68.868 0.116 0.000 0.861 116 T HN 0.576 nan 8.240 nan 0.000 0.456 117 A N 1.314 124.245 122.820 0.186 0.000 1.902 117 A HA 0.166 4.486 4.320 -0.000 0.000 0.217 117 A C 2.654 180.405 177.584 0.279 0.000 1.181 117 A CA 1.818 54.021 52.037 0.277 0.000 0.623 117 A CB -1.095 18.069 19.000 0.272 0.000 0.818 117 A HN 0.512 nan 8.150 nan 0.000 0.443 118 A N -0.325 122.617 122.820 0.204 0.000 1.902 118 A HA -0.015 4.304 4.320 -0.000 0.000 0.217 118 A C 2.157 179.839 177.584 0.165 0.000 1.181 118 A CA 1.481 53.635 52.037 0.195 0.000 0.623 118 A CB -0.580 18.486 19.000 0.111 0.000 0.818 118 A HN 0.469 nan 8.150 nan 0.000 0.443 119 L N -1.322 119.969 121.223 0.112 0.000 2.093 119 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 119 L C 2.680 179.611 176.870 0.100 0.000 1.085 119 L CA 1.421 56.311 54.840 0.084 0.000 0.755 119 L CB -0.421 41.666 42.059 0.046 0.000 0.904 119 L HN 0.417 nan 8.230 nan 0.000 0.435 120 R N 0.481 121.046 120.500 0.108 0.000 2.139 120 R HA -0.160 4.180 4.340 -0.000 0.000 0.243 120 R C 1.864 178.247 176.300 0.139 0.000 1.145 120 R CA 1.717 57.853 56.100 0.060 0.000 0.976 120 R CB -0.129 30.147 30.300 -0.040 0.000 0.866 120 R HN 0.415 nan 8.270 nan 0.000 0.449 121 V N -1.748 118.289 119.914 0.205 0.000 3.633 121 V HA 0.163 4.283 4.120 -0.000 0.000 0.283 121 V C 0.478 176.639 176.094 0.112 0.000 1.305 121 V CA 0.383 62.802 62.300 0.199 0.000 1.153 121 V CB -0.439 31.492 31.823 0.180 0.000 0.950 121 V HN 0.309 nan 8.190 nan 0.000 0.432 122 T N -3.503 111.121 114.554 0.116 0.000 2.950 122 T HA 0.565 4.915 4.350 -0.000 0.000 0.288 122 T C 0.046 174.794 174.700 0.080 0.000 1.035 122 T CA -0.208 61.941 62.100 0.082 0.000 1.028 122 T CB 2.358 71.271 68.868 0.076 0.000 1.109 122 T HN 0.188 nan 8.240 nan 0.000 0.514 123 D N -0.029 120.409 120.400 0.063 0.000 2.473 123 D HA 0.263 4.903 4.640 -0.000 0.000 0.242 123 D C 0.850 177.198 176.300 0.081 0.000 1.106 123 D CA 0.189 54.234 54.000 0.075 0.000 0.854 123 D CB 0.880 41.710 40.800 0.050 0.000 1.192 123 D HN 0.826 nan 8.370 nan 0.000 0.503 124 G N -0.054 108.779 108.800 0.055 0.000 2.642 124 G HA2 0.671 4.631 3.960 -0.000 0.000 0.293 124 G HA3 0.671 4.631 3.960 -0.000 0.000 0.293 124 G C -1.604 173.307 174.900 0.020 0.000 1.341 124 G CA -0.498 44.627 45.100 0.041 0.000 0.916 124 G HN 0.132 nan 8.290 nan 0.000 0.474 125 A N -0.163 122.657 122.820 0.000 0.000 2.486 125 A HA 0.671 4.991 4.320 -0.000 0.000 0.300 125 A C -1.542 176.018 177.584 -0.041 0.000 1.048 125 A CA -0.614 51.412 52.037 -0.018 0.000 0.696 125 A CB 1.957 20.943 19.000 -0.023 0.000 1.278 125 A HN 1.489 nan 8.150 nan 0.000 0.405 126 L N 3.233 124.427 121.223 -0.049 0.000 2.264 126 L HA 0.592 4.932 4.340 -0.000 0.000 0.287 126 L C -0.874 175.949 176.870 -0.079 0.000 1.039 126 L CA -0.174 54.623 54.840 -0.071 0.000 0.829 126 L CB 0.876 42.895 42.059 -0.066 0.000 1.211 126 L HN 0.387 nan 8.230 nan 0.000 0.427 127 V N 6.131 125.988 119.914 -0.095 0.000 2.385 127 V HA 0.320 4.440 4.120 -0.000 0.000 0.269 127 V C 0.190 176.226 176.094 -0.097 0.000 1.043 127 V CA -0.629 61.617 62.300 -0.090 0.000 0.906 127 V CB 1.201 32.968 31.823 -0.093 0.000 0.995 127 V HN 0.500 nan 8.190 nan 0.000 0.467 128 V N 6.251 126.127 119.914 -0.064 0.000 2.432 128 V HA 0.455 4.574 4.120 -0.000 0.000 0.275 128 V C 0.049 176.154 176.094 0.019 0.000 1.043 128 V CA -0.318 61.954 62.300 -0.048 0.000 0.925 128 V CB 1.523 33.335 31.823 -0.019 0.000 0.985 128 V HN 0.623 nan 8.190 nan 0.000 0.466 129 V N 3.409 123.308 119.914 -0.025 0.000 2.735 129 V HA 0.374 4.494 4.120 -0.000 0.000 0.310 129 V C -0.459 175.584 176.094 -0.084 0.000 1.061 129 V CA -0.814 61.496 62.300 0.017 0.000 0.913 129 V CB 2.238 34.040 31.823 -0.036 0.000 1.005 129 V HN 0.943 nan 8.190 nan 0.000 0.428 130 D N 2.189 122.454 120.400 -0.224 0.000 2.304 130 D HA 0.247 4.887 4.640 -0.000 0.000 0.250 130 D C 1.248 177.468 176.300 -0.134 0.000 1.107 130 D CA 0.253 54.035 54.000 -0.363 0.000 0.885 130 D CB 1.796 42.104 40.800 -0.820 0.000 1.192 130 D HN 0.603 nan 8.370 nan 0.000 0.436 131 T N 3.239 117.766 114.554 -0.045 0.000 2.635 131 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 131 T C 1.818 176.539 174.700 0.036 0.000 1.040 131 T CA 1.158 63.318 62.100 0.099 0.000 1.156 131 T CB -0.171 68.788 68.868 0.152 0.000 0.863 131 T HN 0.440 nan 8.240 nan 0.000 0.430 132 I N 0.481 121.034 120.570 -0.028 0.000 2.188 132 I HA -0.058 4.112 4.170 -0.000 0.000 0.237 132 I C 2.581 178.672 176.117 -0.044 0.000 1.073 132 I CA 1.207 62.488 61.300 -0.031 0.000 1.359 132 I CB -0.403 37.576 38.000 -0.036 0.000 1.083 132 I HN 0.257 nan 8.210 nan 0.000 0.412 133 E N 0.983 121.128 120.200 -0.092 0.000 2.265 133 E HA -0.001 4.349 4.350 -0.000 0.000 0.196 133 E C 1.252 177.833 176.600 -0.032 0.000 0.996 133 E CA 0.573 56.932 56.400 -0.068 0.000 0.832 133 E CB -0.167 29.479 29.700 -0.090 0.000 0.756 133 E HN 0.604 nan 8.360 nan 0.000 0.491 134 G N 0.602 109.379 108.800 -0.038 0.000 2.569 134 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.259 134 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.259 134 G C -0.059 174.869 174.900 0.045 0.000 1.263 134 G CA -0.263 44.841 45.100 0.006 0.000 0.928 134 G HN 0.139 nan 8.290 nan 0.000 0.572 135 V N 0.641 120.580 119.914 0.040 0.000 2.455 135 V HA 0.418 4.538 4.120 -0.000 0.000 0.273 135 V C 0.985 177.106 176.094 0.046 0.000 1.045 135 V CA -0.115 62.215 62.300 0.049 0.000 0.976 135 V CB 0.165 32.003 31.823 0.025 0.000 0.993 135 V HN 0.892 nan 8.190 nan 0.000 0.475 136 C N 3.848 123.179 119.300 0.052 0.000 2.401 136 C HA 0.416 4.876 4.460 -0.000 0.000 0.356 136 C C 2.052 177.092 174.990 0.084 0.000 1.192 136 C CA -0.245 58.799 59.018 0.043 0.000 2.028 136 C CB 1.574 29.265 27.740 -0.082 0.000 2.344 136 C HN 0.849 nan 8.230 nan 0.000 0.525 137 V N 0.504 120.468 119.914 0.083 0.000 2.317 137 V HA -0.307 3.813 4.120 -0.000 0.000 0.251 137 V C 1.968 178.053 176.094 -0.015 0.000 1.065 137 V CA 2.205 64.531 62.300 0.043 0.000 1.049 137 V CB -1.233 30.616 31.823 0.044 0.000 0.651 137 V HN 0.976 nan 8.190 nan 0.000 0.450 138 Q N 0.170 119.976 119.800 0.011 0.000 2.096 138 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 138 Q C 2.431 178.335 176.000 -0.160 0.000 0.982 138 Q CA 2.555 58.249 55.803 -0.181 0.000 0.850 138 Q CB -0.319 28.108 28.738 -0.519 0.000 0.901 138 Q HN 0.832 nan 8.270 nan 0.000 0.422 139 T N 0.389 114.915 114.554 -0.048 0.000 2.708 139 T HA -0.195 4.154 4.350 -0.000 0.000 0.266 139 T C 1.566 176.215 174.700 -0.085 0.000 1.037 139 T CA 1.457 63.520 62.100 -0.061 0.000 1.146 139 T CB -0.229 68.637 68.868 -0.003 0.000 0.865 139 T HN 0.400 nan 8.240 nan 0.000 0.435 140 E N 0.411 120.575 120.200 -0.061 0.000 2.110 140 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 140 E C 2.079 178.592 176.600 -0.145 0.000 0.988 140 E CA 1.263 57.627 56.400 -0.061 0.000 0.804 140 E CB -0.067 29.632 29.700 -0.002 0.000 0.745 140 E HN 0.379 nan 8.360 nan 0.000 0.458 141 T N 0.209 114.619 114.554 -0.241 0.000 2.708 141 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 141 T C 1.871 176.270 174.700 -0.502 0.000 1.037 141 T CA 1.381 63.159 62.100 -0.536 0.000 1.146 141 T CB -0.066 68.369 68.868 -0.721 0.000 0.865 141 T HN 0.041 nan 8.240 nan 0.000 0.435 142 V N 1.416 121.130 119.914 -0.334 0.000 2.488 142 V HA -0.027 4.093 4.120 -0.000 0.000 0.246 142 V C 2.349 178.344 176.094 -0.165 0.000 1.046 142 V CA 0.923 63.075 62.300 -0.247 0.000 1.053 142 V CB -0.627 31.075 31.823 -0.202 0.000 0.679 142 V HN 0.307 nan 8.190 nan 0.000 0.458 143 L N 0.739 121.876 121.223 -0.143 0.000 2.046 143 L HA -0.150 4.189 4.340 -0.000 0.000 0.208 143 L C 2.539 179.346 176.870 -0.104 0.000 1.077 143 L CA 2.105 56.886 54.840 -0.098 0.000 0.747 143 L CB -0.827 41.187 42.059 -0.076 0.000 0.896 143 L HN 0.220 nan 8.230 nan 0.000 0.432 144 R N -0.944 119.456 120.500 -0.167 0.000 2.073 144 R HA -0.201 4.139 4.340 -0.000 0.000 0.234 144 R C 2.326 178.547 176.300 -0.132 0.000 1.134 144 R CA 1.990 57.926 56.100 -0.274 0.000 0.952 144 R CB -0.253 29.797 30.300 -0.417 0.000 0.850 144 R HN 0.560 nan 8.270 nan 0.000 0.433 145 Q N -0.462 119.300 119.800 -0.062 0.000 2.084 145 Q HA -0.123 4.216 4.340 -0.000 0.000 0.202 145 Q C 2.130 178.127 176.000 -0.006 0.000 0.978 145 Q CA 1.617 57.424 55.803 0.006 0.000 0.844 145 Q CB -0.088 28.645 28.738 -0.009 0.000 0.898 145 Q HN 0.457 nan 8.270 nan 0.000 0.426 146 A N 0.906 123.707 122.820 -0.031 0.000 1.865 146 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 146 A C 2.045 179.636 177.584 0.011 0.000 1.191 146 A CA 1.228 53.260 52.037 -0.009 0.000 0.623 146 A CB -0.828 18.158 19.000 -0.024 0.000 0.826 146 A HN 0.322 nan 8.150 nan 0.000 0.444 147 L N -0.565 120.661 121.223 0.004 0.000 2.127 147 L HA -0.162 4.178 4.340 -0.000 0.000 0.211 147 L C 2.673 179.571 176.870 0.047 0.000 1.089 147 L CA 0.987 55.846 54.840 0.032 0.000 0.757 147 L CB -0.740 41.353 42.059 0.057 0.000 0.899 147 L HN 0.515 nan 8.230 nan 0.000 0.434 148 G N -0.900 107.923 108.800 0.037 0.000 2.509 148 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 148 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 148 G C 1.249 176.175 174.900 0.044 0.000 1.124 148 G CA 0.243 45.370 45.100 0.046 0.000 0.776 148 G HN 0.272 nan 8.290 nan 0.000 0.547 149 E N 0.142 120.368 120.200 0.043 0.000 2.451 149 E HA 0.144 4.494 4.350 -0.000 0.000 0.194 149 E C 0.498 177.143 176.600 0.076 0.000 1.027 149 E CA -0.459 55.968 56.400 0.045 0.000 0.914 149 E CB 0.123 29.848 29.700 0.041 0.000 1.054 149 E HN 0.347 nan 8.360 nan 0.000 0.461 150 R N 0.499 121.049 120.500 0.082 0.000 3.416 150 R HA -0.179 4.161 4.340 -0.000 0.000 0.263 150 R C -0.199 176.196 176.300 0.159 0.000 1.053 150 R CA 0.399 56.569 56.100 0.117 0.000 0.705 150 R CB -2.066 28.349 30.300 0.192 0.000 1.124 150 R HN 0.213 nan 8.270 nan 0.000 0.444 151 I N 0.718 121.347 120.570 0.097 0.000 2.440 151 I HA 0.158 4.328 4.170 -0.000 0.000 0.294 151 I C 0.809 176.962 176.117 0.060 0.000 0.995 151 I CA -0.393 60.961 61.300 0.091 0.000 1.306 151 I CB 1.329 39.362 38.000 0.056 0.000 1.407 151 I HN 0.021 nan 8.210 nan 0.000 0.501 152 K N 7.922 128.363 120.400 0.069 0.000 2.201 152 K HA 0.453 4.773 4.320 -0.000 0.000 0.278 152 K C -2.530 174.071 176.600 0.003 0.000 1.027 152 K CA -1.516 54.790 56.287 0.031 0.000 0.909 152 K CB 1.226 33.758 32.500 0.054 0.000 1.062 152 K HN 0.244 nan 8.250 nan 0.000 0.465 153 P HA 0.287 nan 4.420 nan 0.000 0.290 153 P C -1.250 175.997 177.300 -0.088 0.000 1.283 153 P CA -0.668 62.397 63.100 -0.058 0.000 0.869 153 P CB 1.927 33.586 31.700 -0.068 0.000 1.100 154 V N 2.032 121.882 119.914 -0.106 0.000 2.851 154 V HA 0.290 4.410 4.120 -0.000 0.000 0.307 154 V C -0.324 175.666 176.094 -0.174 0.000 1.129 154 V CA -0.727 61.485 62.300 -0.147 0.000 0.932 154 V CB 2.699 34.458 31.823 -0.107 0.000 1.024 154 V HN 0.270 nan 8.190 nan 0.000 0.426 155 V N 5.041 124.810 119.914 -0.241 0.000 2.769 155 V HA 0.675 4.794 4.120 -0.000 0.000 0.312 155 V C -0.668 175.216 176.094 -0.350 0.000 1.058 155 V CA -0.574 61.563 62.300 -0.272 0.000 0.952 155 V CB 2.237 33.879 31.823 -0.302 0.000 1.019 155 V HN 0.582 nan 8.190 nan 0.000 0.445 156 V N 4.780 124.501 119.914 -0.321 0.000 2.482 156 V HA 0.445 4.564 4.120 -0.000 0.000 0.295 156 V C -0.361 175.523 176.094 -0.350 0.000 1.026 156 V CA -0.333 61.743 62.300 -0.373 0.000 0.856 156 V CB 1.713 33.379 31.823 -0.263 0.000 1.001 156 V HN 0.663 nan 8.190 nan 0.000 0.424 157 I N 4.594 124.879 120.570 -0.475 0.000 2.308 157 I HA 0.260 4.430 4.170 -0.000 0.000 0.293 157 I C 0.410 176.392 176.117 -0.224 0.000 1.078 157 I CA 0.125 61.241 61.300 -0.306 0.000 1.292 157 I CB 0.637 38.430 38.000 -0.345 0.000 1.423 157 I HN 0.596 nan 8.210 nan 0.000 0.493 158 N N 4.654 123.251 118.700 -0.170 0.000 2.447 158 N HA 0.225 4.964 4.740 -0.000 0.000 0.271 158 N C 0.146 175.575 175.510 -0.135 0.000 1.226 158 N CA -0.311 52.634 53.050 -0.175 0.000 0.980 158 N CB 0.704 39.098 38.487 -0.156 0.000 1.206 158 N HN 0.294 nan 8.380 nan 0.000 0.558 159 K N -0.818 119.482 120.400 -0.168 0.000 3.160 159 K HA -0.139 4.181 4.320 -0.000 0.000 0.280 159 K C 0.668 177.238 176.600 -0.051 0.000 1.154 159 K CA 0.651 56.859 56.287 -0.131 0.000 0.822 159 K CB -1.861 30.568 32.500 -0.118 0.000 1.239 159 K HN 0.326 nan 8.250 nan 0.000 0.489 160 V N 0.161 120.056 119.914 -0.033 0.000 2.469 160 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 160 V C 2.066 178.276 176.094 0.195 0.000 1.064 160 V CA 2.347 64.741 62.300 0.157 0.000 1.066 160 V CB -0.571 31.419 31.823 0.277 0.000 0.667 160 V HN 0.679 nan 8.190 nan 0.000 0.461 161 D N -0.120 120.386 120.400 0.177 0.000 2.182 161 D HA -0.240 4.400 4.640 -0.000 0.000 0.201 161 D C 2.169 178.585 176.300 0.194 0.000 0.986 161 D CA 1.147 55.342 54.000 0.325 0.000 0.847 161 D CB -0.316 40.600 40.800 0.193 0.000 0.942 161 D HN 0.289 nan 8.370 nan 0.000 0.467 162 R N 0.243 120.793 120.500 0.082 0.000 2.081 162 R HA -0.016 4.323 4.340 -0.000 0.000 0.235 162 R C 2.447 178.784 176.300 0.062 0.000 1.131 162 R CA 1.304 57.440 56.100 0.059 0.000 0.960 162 R CB -0.460 29.849 30.300 0.015 0.000 0.856 162 R HN 0.373 nan 8.270 nan 0.000 0.436 163 A N 0.876 123.730 122.820 0.058 0.000 2.015 163 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 163 A C 2.133 179.717 177.584 0.000 0.000 1.163 163 A CA 0.992 53.048 52.037 0.032 0.000 0.646 163 A CB -0.255 18.763 19.000 0.031 0.000 0.806 163 A HN 0.163 nan 8.150 nan 0.000 0.448 164 L N -1.625 119.585 121.223 -0.021 0.000 2.168 164 L HA 0.001 4.341 4.340 -0.000 0.000 0.203 164 L C 2.262 179.151 176.870 0.031 0.000 1.078 164 L CA 0.288 55.039 54.840 -0.148 0.000 0.780 164 L CB -0.455 41.345 42.059 -0.432 0.000 0.939 164 L HN 0.235 nan 8.230 nan 0.000 0.451 165 L N -0.101 121.215 121.223 0.154 0.000 2.084 165 L HA -0.030 4.310 4.340 -0.000 0.000 0.202 165 L C 2.422 179.351 176.870 0.099 0.000 1.074 165 L CA 1.622 56.560 54.840 0.163 0.000 0.757 165 L CB -0.716 41.471 42.059 0.214 0.000 0.918 165 L HN 0.162 nan 8.230 nan 0.000 0.444 166 E N -0.758 119.491 120.200 0.083 0.000 2.014 166 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 166 E C 1.914 178.542 176.600 0.047 0.000 0.980 166 E CA 0.700 57.136 56.400 0.060 0.000 0.807 166 E CB -0.177 29.553 29.700 0.051 0.000 0.770 166 E HN 0.121 nan 8.360 nan 0.000 0.451 167 L N 1.069 122.316 121.223 0.039 0.000 2.465 167 L HA -0.051 4.289 4.340 -0.000 0.000 0.224 167 L C 0.630 177.521 176.870 0.036 0.000 1.145 167 L CA 1.107 55.967 54.840 0.033 0.000 0.834 167 L CB -0.610 41.465 42.059 0.026 0.000 0.944 167 L HN 0.164 nan 8.230 nan 0.000 0.451 168 Q N -1.558 118.263 119.800 0.035 0.000 2.422 168 Q HA -0.219 4.121 4.340 -0.000 0.000 0.245 168 Q C 0.277 176.315 176.000 0.064 0.000 0.922 168 Q CA 0.345 56.172 55.803 0.040 0.000 1.192 168 Q CB -2.239 26.528 28.738 0.048 0.000 1.641 168 Q HN 0.325 nan 8.270 nan 0.000 0.552 169 V N 1.379 121.329 119.914 0.060 0.000 3.083 169 V HA -0.047 4.073 4.120 -0.000 0.000 0.303 169 V C 1.164 177.373 176.094 0.192 0.000 1.151 169 V CA 0.990 63.343 62.300 0.090 0.000 1.275 169 V CB 0.961 32.821 31.823 0.061 0.000 0.950 169 V HN 0.451 nan 8.190 nan 0.000 0.506 170 S N 3.006 118.795 115.700 0.148 0.000 2.672 170 S HA 0.388 4.858 4.470 -0.000 0.000 0.276 170 S C 0.718 175.355 174.600 0.062 0.000 1.207 170 S CA -0.705 57.579 58.200 0.139 0.000 1.002 170 S CB 1.313 64.537 63.200 0.039 0.000 0.998 170 S HN 0.615 nan 8.310 nan 0.000 0.542 171 K N 0.590 120.852 120.400 -0.230 0.000 2.020 171 K HA -0.188 4.132 4.320 -0.000 0.000 0.212 171 K C 2.017 178.564 176.600 -0.088 0.000 1.050 171 K CA 1.950 58.008 56.287 -0.381 0.000 0.929 171 K CB -0.338 31.764 32.500 -0.663 0.000 0.714 171 K HN 0.750 nan 8.250 nan 0.000 0.443 172 E N 1.239 121.400 120.200 -0.065 0.000 2.204 172 E HA -0.168 4.181 4.350 -0.000 0.000 0.194 172 E C 1.307 177.952 176.600 0.076 0.000 0.989 172 E CA 1.417 57.834 56.400 0.027 0.000 0.824 172 E CB -0.038 29.660 29.700 -0.003 0.000 0.756 172 E HN 0.201 nan 8.360 nan 0.000 0.477 173 D N -0.326 120.092 120.400 0.030 0.000 2.123 173 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 173 D C 1.867 178.146 176.300 -0.036 0.000 0.976 173 D CA 0.572 54.580 54.000 0.014 0.000 0.831 173 D CB -0.249 40.560 40.800 0.015 0.000 0.974 173 D HN 0.211 nan 8.370 nan 0.000 0.469 174 L N 0.466 121.660 121.223 -0.049 0.000 2.017 174 L HA -0.175 4.164 4.340 -0.000 0.000 0.208 174 L C 2.248 178.888 176.870 -0.383 0.000 1.073 174 L CA 1.509 56.199 54.840 -0.250 0.000 0.745 174 L CB -1.046 40.939 42.059 -0.123 0.000 0.894 174 L HN 0.010 nan 8.230 nan 0.000 0.432 175 Y N 0.220 120.431 120.300 -0.149 0.000 2.053 175 Y HA -0.329 4.220 4.550 -0.000 0.000 0.277 175 Y C 2.608 178.487 175.900 -0.036 0.000 1.159 175 Y CA 2.303 60.383 58.100 -0.034 0.000 1.125 175 Y CB -0.540 37.908 38.460 -0.021 0.000 0.969 175 Y HN 0.298 nan 8.280 nan 0.000 0.492 176 Q N -0.221 119.489 119.800 -0.150 0.000 2.112 176 Q HA -0.192 4.147 4.340 -0.000 0.000 0.206 176 Q C 2.241 178.154 176.000 -0.144 0.000 0.987 176 Q CA 2.349 58.044 55.803 -0.180 0.000 0.858 176 Q CB -1.053 27.680 28.738 -0.009 0.000 0.905 176 Q HN 0.567 nan 8.270 nan 0.000 0.420 177 T N 1.034 115.517 114.554 -0.118 0.000 2.708 177 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 177 T C 1.575 176.333 174.700 0.096 0.000 1.037 177 T CA 1.058 63.130 62.100 -0.046 0.000 1.146 177 T CB -0.282 68.529 68.868 -0.095 0.000 0.865 177 T HN 0.108 nan 8.240 nan 0.000 0.435 178 F N 1.881 121.845 119.950 0.023 0.000 2.095 178 F HA 0.030 4.556 4.527 -0.000 0.000 0.298 178 F C 2.746 178.594 175.800 0.079 0.000 1.104 178 F CA 0.272 58.346 58.000 0.124 0.000 1.232 178 F CB -1.499 37.657 39.000 0.260 0.000 0.987 178 F HN 0.160 nan 8.300 nan 0.000 0.475 179 A N -0.020 122.874 122.820 0.124 0.000 1.933 179 A HA -0.181 4.138 4.320 -0.000 0.000 0.218 179 A C 2.395 180.017 177.584 0.064 0.000 1.175 179 A CA 1.423 53.507 52.037 0.078 0.000 0.628 179 A CB -0.604 18.227 19.000 -0.281 0.000 0.814 179 A HN 0.311 nan 8.150 nan 0.000 0.444 180 R N -1.141 119.377 120.500 0.030 0.000 2.090 180 R HA -0.055 4.285 4.340 -0.000 0.000 0.228 180 R C 2.149 178.473 176.300 0.040 0.000 1.110 180 R CA 1.633 57.751 56.100 0.031 0.000 0.973 180 R CB -0.607 29.704 30.300 0.019 0.000 0.869 180 R HN 0.498 nan 8.270 nan 0.000 0.440 181 T N 0.786 115.379 114.554 0.065 0.000 2.821 181 T HA -0.067 4.282 4.350 -0.000 0.000 0.267 181 T C 1.950 176.649 174.700 -0.000 0.000 1.046 181 T CA 1.047 63.173 62.100 0.043 0.000 1.139 181 T CB -0.044 68.869 68.868 0.074 0.000 0.871 181 T HN -0.010 nan 8.240 nan 0.000 0.454 182 V N 1.377 121.293 119.914 0.002 0.000 2.515 182 V HA -0.079 4.040 4.120 -0.000 0.000 0.250 182 V C 2.679 178.741 176.094 -0.054 0.000 1.058 182 V CA 1.340 63.601 62.300 -0.064 0.000 1.064 182 V CB -0.417 31.366 31.823 -0.066 0.000 0.675 182 V HN 0.362 nan 8.190 nan 0.000 0.461 183 E N 0.335 120.533 120.200 -0.004 0.000 2.072 183 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 183 E C 2.494 179.087 176.600 -0.011 0.000 0.982 183 E CA 1.365 57.763 56.400 -0.003 0.000 0.803 183 E CB -0.139 29.576 29.700 0.025 0.000 0.755 183 E HN 0.572 nan 8.360 nan 0.000 0.453 184 S N 0.242 115.940 115.700 -0.003 0.000 2.370 184 S HA -0.132 4.338 4.470 -0.000 0.000 0.226 184 S C 2.171 176.766 174.600 -0.008 0.000 1.033 184 S CA 1.204 59.406 58.200 0.003 0.000 1.011 184 S CB -0.229 62.977 63.200 0.010 0.000 0.852 184 S HN 0.081 nan 8.310 nan 0.000 0.457 185 V N 2.813 122.708 119.914 -0.032 0.000 2.358 185 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 185 V C 1.803 177.862 176.094 -0.058 0.000 1.047 185 V CA 1.431 63.702 62.300 -0.050 0.000 1.035 185 V CB -0.664 31.105 31.823 -0.091 0.000 0.658 185 V HN 0.432 nan 8.190 nan 0.000 0.452 186 N N -0.202 118.447 118.700 -0.084 0.000 2.571 186 N HA -0.037 4.703 4.740 -0.000 0.000 0.189 186 N C 1.443 176.923 175.510 -0.050 0.000 1.154 186 N CA 0.542 53.533 53.050 -0.100 0.000 0.907 186 N CB 0.287 38.679 38.487 -0.159 0.000 0.977 186 N HN 0.338 nan 8.380 nan 0.000 0.449 187 V N 0.673 120.574 119.914 -0.021 0.000 2.446 187 V HA 0.001 4.121 4.120 -0.000 0.000 0.244 187 V C 2.087 178.193 176.094 0.020 0.000 1.039 187 V CA 0.764 63.061 62.300 -0.005 0.000 1.045 187 V CB -0.033 31.794 31.823 0.007 0.000 0.681 187 V HN 0.161 nan 8.190 nan 0.000 0.459 188 I N -0.538 120.068 120.570 0.059 0.000 2.252 188 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 188 I C 2.328 178.550 176.117 0.175 0.000 1.102 188 I CA 1.094 62.493 61.300 0.165 0.000 1.385 188 I CB -0.333 37.745 38.000 0.129 0.000 1.064 188 I HN 0.135 nan 8.210 nan 0.000 0.414 189 V N 0.885 120.836 119.914 0.062 0.000 2.270 189 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 189 V C 2.642 178.748 176.094 0.019 0.000 1.043 189 V CA 2.264 64.586 62.300 0.036 0.000 1.014 189 V CB -0.851 30.951 31.823 -0.034 0.000 0.645 189 V HN 0.595 nan 8.190 nan 0.000 0.447 190 S N -0.747 114.943 115.700 -0.017 0.000 2.419 190 S HA -0.223 4.247 4.470 -0.000 0.000 0.235 190 S C 1.829 176.390 174.600 -0.066 0.000 1.019 190 S CA 1.954 60.133 58.200 -0.034 0.000 0.982 190 S CB -0.702 62.477 63.200 -0.035 0.000 0.789 190 S HN 0.593 nan 8.310 nan 0.000 0.490 191 T N 0.556 115.047 114.554 -0.104 0.000 2.851 191 T HA 0.109 4.459 4.350 -0.000 0.000 0.262 191 T C 0.948 175.410 174.700 -0.396 0.000 1.043 191 T CA 1.182 63.102 62.100 -0.300 0.000 1.140 191 T CB -0.320 68.254 68.868 -0.491 0.000 0.872 191 T HN 0.631 nan 8.240 nan 0.000 0.446 192 Y N 0.766 121.060 120.300 -0.010 0.000 2.458 192 Y HA 0.598 5.148 4.550 -0.000 0.000 0.254 192 Y C 1.189 177.083 175.900 -0.010 0.000 1.120 192 Y CA -0.967 57.129 58.100 -0.006 0.000 1.282 192 Y CB 0.073 38.538 38.460 0.008 0.000 1.109 192 Y HN 0.075 nan 8.280 nan 0.000 0.526 193 A N 0.532 123.413 122.820 0.102 0.000 2.401 193 A HA 0.191 4.511 4.320 -0.000 0.000 0.259 193 A C -0.565 177.027 177.584 0.014 0.000 1.103 193 A CA -0.515 51.549 52.037 0.045 0.000 0.789 193 A CB -0.165 18.841 19.000 0.010 0.000 1.035 193 A HN 0.208 nan 8.150 nan 0.000 0.491 194 D N 1.996 122.399 120.400 0.005 0.000 2.434 194 D HA 0.176 4.816 4.640 -0.000 0.000 0.252 194 D C 1.086 177.369 176.300 -0.029 0.000 1.185 194 D CA 0.479 54.475 54.000 -0.007 0.000 0.886 194 D CB 0.672 41.469 40.800 -0.006 0.000 1.148 194 D HN 0.656 nan 8.370 nan 0.000 0.483 195 E N 1.157 121.345 120.200 -0.020 0.000 2.273 195 E HA -0.162 4.188 4.350 -0.000 0.000 0.198 195 E C 1.671 178.253 176.600 -0.030 0.000 1.002 195 E CA 0.580 56.966 56.400 -0.023 0.000 0.828 195 E CB 0.105 29.796 29.700 -0.015 0.000 0.747 195 E HN 0.307 nan 8.360 nan 0.000 0.491 196 V N 0.812 120.706 119.914 -0.033 0.000 2.759 196 V HA -0.193 3.927 4.120 -0.000 0.000 0.256 196 V C 1.772 177.818 176.094 -0.080 0.000 1.080 196 V CA 1.059 63.337 62.300 -0.036 0.000 1.101 196 V CB -0.276 31.537 31.823 -0.016 0.000 0.698 196 V HN 0.210 nan 8.190 nan 0.000 0.477 197 L N 0.151 121.297 121.223 -0.127 0.000 2.478 197 L HA 0.377 4.716 4.340 -0.000 0.000 0.223 197 L C 1.474 178.262 176.870 -0.137 0.000 1.140 197 L CA 1.417 56.123 54.840 -0.223 0.000 0.842 197 L CB -1.223 40.664 42.059 -0.287 0.000 0.953 197 L HN 0.482 nan 8.230 nan 0.000 0.452 198 G N -0.701 108.054 108.800 -0.075 0.000 2.488 198 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.237 198 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.237 198 G C -0.512 174.374 174.900 -0.024 0.000 1.209 198 G CA -0.095 44.982 45.100 -0.038 0.000 0.929 198 G HN 0.160 nan 8.290 nan 0.000 0.578 199 D N 0.525 120.927 120.400 0.004 0.000 2.411 199 D HA 0.421 5.061 4.640 -0.000 0.000 0.225 199 D C 0.971 177.284 176.300 0.022 0.000 1.156 199 D CA 0.406 54.426 54.000 0.034 0.000 0.874 199 D CB 1.122 41.980 40.800 0.096 0.000 1.034 199 D HN 0.720 nan 8.370 nan 0.000 0.502 200 V N 4.251 124.154 119.914 -0.018 0.000 3.514 200 V HA 0.106 4.226 4.120 -0.000 0.000 0.301 200 V C 0.831 176.880 176.094 -0.076 0.000 1.346 200 V CA 0.139 62.414 62.300 -0.041 0.000 1.156 200 V CB -0.465 31.325 31.823 -0.055 0.000 1.029 200 V HN 0.501 nan 8.190 nan 0.000 0.428 201 Q N -0.025 119.715 119.800 -0.101 0.000 2.535 201 Q HA 0.283 4.623 4.340 -0.000 0.000 0.228 201 Q C -0.553 175.214 176.000 -0.388 0.000 1.062 201 Q CA 0.100 55.747 55.803 -0.260 0.000 0.967 201 Q CB 1.470 29.990 28.738 -0.364 0.000 1.273 201 Q HN 0.329 nan 8.270 nan 0.000 0.554 202 V N 1.564 121.169 119.914 -0.515 0.000 2.483 202 V HA 0.315 4.435 4.120 -0.000 0.000 0.295 202 V C -1.277 174.415 176.094 -0.670 0.000 1.035 202 V CA -0.552 61.467 62.300 -0.469 0.000 0.896 202 V CB 0.772 32.393 31.823 -0.337 0.000 0.986 202 V HN 0.554 nan 8.190 nan 0.000 0.447 203 Y N 4.742 124.909 120.300 -0.222 0.000 2.329 203 Y HA 0.379 4.928 4.550 -0.000 0.000 0.328 203 Y C -1.948 173.744 175.900 -0.347 0.000 0.992 203 Y CA -2.161 55.798 58.100 -0.235 0.000 1.151 203 Y CB 1.968 40.348 38.460 -0.132 0.000 1.150 203 Y HN 0.424 nan 8.280 nan 0.000 0.450 204 P HA -0.259 nan 4.420 nan 0.000 0.216 204 P C 1.330 178.499 177.300 -0.218 0.000 1.153 204 P CA 2.515 65.287 63.100 -0.547 0.000 0.858 204 P CB 0.342 31.194 31.700 -1.413 0.000 0.789 205 A N -0.265 122.477 122.820 -0.131 0.000 2.019 205 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 205 A C 2.011 179.625 177.584 0.050 0.000 1.164 205 A CA 1.313 53.399 52.037 0.081 0.000 0.644 205 A CB -0.913 18.186 19.000 0.166 0.000 0.805 205 A HN 0.151 nan 8.150 nan 0.000 0.449 206 R N -1.345 119.161 120.500 0.010 0.000 2.310 206 R HA 0.228 4.568 4.340 -0.000 0.000 0.202 206 R C 1.137 177.410 176.300 -0.044 0.000 0.933 206 R CA 0.471 56.572 56.100 0.002 0.000 1.054 206 R CB -0.064 30.236 30.300 -0.001 0.000 0.985 206 R HN 0.644 nan 8.270 nan 0.000 0.489 207 G N 1.206 109.975 108.800 -0.052 0.000 2.143 207 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.248 207 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.248 207 G C 0.679 175.428 174.900 -0.252 0.000 0.991 207 G CA 0.749 45.825 45.100 -0.040 0.000 0.689 207 G HN 0.435 nan 8.290 nan 0.000 0.522 208 T N -2.464 111.859 114.554 -0.386 0.000 3.186 208 T HA 0.584 4.934 4.350 -0.000 0.000 0.257 208 T C 0.240 174.726 174.700 -0.357 0.000 1.029 208 T CA 0.277 62.120 62.100 -0.428 0.000 0.916 208 T CB 1.091 69.694 68.868 -0.441 0.000 1.041 208 T HN 0.826 nan 8.240 nan 0.000 0.562 209 V N 1.058 120.740 119.914 -0.386 0.000 2.623 209 V HA 0.800 4.920 4.120 -0.000 0.000 0.304 209 V C -0.229 175.445 176.094 -0.701 0.000 1.054 209 V CA -1.247 60.700 62.300 -0.588 0.000 0.882 209 V CB 1.435 32.814 31.823 -0.741 0.000 1.002 209 V HN 0.587 nan 8.190 nan 0.000 0.424 210 A N 4.394 126.748 122.820 -0.776 0.000 2.330 210 A HA 1.015 5.335 4.320 -0.000 0.000 0.329 210 A C -1.283 175.616 177.584 -1.142 0.000 1.135 210 A CA -0.424 51.190 52.037 -0.704 0.000 0.817 210 A CB 1.137 19.908 19.000 -0.381 0.000 1.269 210 A HN 0.652 nan 8.150 nan 0.000 0.469 211 F N -0.037 119.476 119.950 -0.729 0.000 2.556 211 F HA 0.736 5.263 4.527 -0.000 0.000 0.314 211 F C 0.724 176.171 175.800 -0.588 0.000 1.106 211 F CA 0.343 57.881 58.000 -0.770 0.000 0.911 211 F CB 2.702 41.086 39.000 -1.026 0.000 1.190 211 F HN 1.040 nan 8.300 nan 0.000 0.448 212 G N 0.429 109.039 108.800 -0.317 0.000 2.356 212 G HA2 0.428 4.388 3.960 -0.000 0.000 0.281 212 G HA3 0.428 4.388 3.960 -0.000 0.000 0.281 212 G C -1.846 172.552 174.900 -0.837 0.000 1.246 212 G CA -0.692 43.998 45.100 -0.683 0.000 0.889 212 G HN 0.665 nan 8.290 nan 0.000 0.486 213 S N -0.716 114.313 115.700 -1.119 0.000 2.789 213 S HA 0.541 5.010 4.470 -0.000 0.000 0.286 213 S C 1.195 175.522 174.600 -0.455 0.000 1.153 213 S CA 0.763 58.515 58.200 -0.747 0.000 1.084 213 S CB 0.806 63.508 63.200 -0.831 0.000 1.036 213 S HN 1.765 nan 8.310 nan 0.000 0.484 214 G N 3.423 112.057 108.800 -0.277 0.000 2.448 214 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.219 214 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.219 214 G C 1.145 175.995 174.900 -0.084 0.000 1.127 214 G CA 0.947 45.954 45.100 -0.154 0.000 0.766 214 G HN 0.653 nan 8.290 nan 0.000 0.552 215 L N -0.393 120.771 121.223 -0.100 0.000 2.095 215 L HA 0.143 4.483 4.340 -0.000 0.000 0.204 215 L C 2.357 179.327 176.870 0.167 0.000 1.080 215 L CA 1.516 56.355 54.840 -0.002 0.000 0.759 215 L CB -0.298 41.730 42.059 -0.052 0.000 0.914 215 L HN 0.171 nan 8.230 nan 0.000 0.439 216 H N 0.095 119.181 119.070 0.027 0.000 2.548 216 H HA 0.347 4.902 4.556 -0.000 0.000 0.268 216 H C 1.550 176.988 175.328 0.182 0.000 0.975 216 H CA 0.002 56.141 56.048 0.152 0.000 1.195 216 H CB -0.189 29.783 29.762 0.349 0.000 1.397 216 H HN 0.429 nan 8.280 nan 0.000 0.572 217 G N 0.051 108.957 108.800 0.177 0.000 2.149 217 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.235 217 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.235 217 G C -0.040 175.006 174.900 0.244 0.000 1.018 217 G CA 0.299 45.493 45.100 0.156 0.000 0.728 217 G HN 0.461 nan 8.290 nan 0.000 0.508 218 W N -1.166 120.225 121.300 0.152 0.000 2.936 218 W HA 0.851 5.511 4.660 -0.000 0.000 0.338 218 W C -0.288 176.319 176.519 0.147 0.000 1.121 218 W CA -1.389 56.050 57.345 0.156 0.000 1.209 218 W CB 1.420 31.012 29.460 0.221 0.000 1.420 218 W HN 1.116 nan 8.180 nan 0.000 0.516 219 A N 2.915 125.959 122.820 0.373 0.000 2.586 219 A HA 0.883 5.203 4.320 -0.000 0.000 0.291 219 A C -2.064 175.731 177.584 0.352 0.000 1.062 219 A CA -0.734 51.419 52.037 0.193 0.000 0.666 219 A CB 1.510 20.468 19.000 -0.069 0.000 1.281 219 A HN 1.210 nan 8.150 nan 0.000 0.421 220 F N -1.308 118.799 119.950 0.262 0.000 2.711 220 F HA 0.884 5.411 4.527 -0.000 0.000 0.313 220 F C -0.288 175.682 175.800 0.283 0.000 1.141 220 F CA -0.151 57.996 58.000 0.245 0.000 0.941 220 F CB 1.230 40.448 39.000 0.365 0.000 1.349 220 F HN 0.964 nan 8.300 nan 0.000 0.464 221 T N -0.713 114.144 114.554 0.504 0.000 2.924 221 T HA 0.482 4.832 4.350 -0.000 0.000 0.291 221 T C 0.630 175.711 174.700 0.636 0.000 1.045 221 T CA -0.811 61.521 62.100 0.387 0.000 1.015 221 T CB 1.608 70.575 68.868 0.165 0.000 1.103 221 T HN 0.652 nan 8.240 nan 0.000 0.496 222 I N 0.440 121.331 120.570 0.535 0.000 2.286 222 I HA -0.087 4.083 4.170 -0.000 0.000 0.248 222 I C 2.714 179.039 176.117 0.347 0.000 1.115 222 I CA 1.295 62.904 61.300 0.514 0.000 1.392 222 I CB -1.089 37.154 38.000 0.405 0.000 1.065 222 I HN 0.834 nan 8.210 nan 0.000 0.418 223 R N 1.145 121.787 120.500 0.237 0.000 2.096 223 R HA -0.236 4.104 4.340 -0.000 0.000 0.240 223 R C 2.294 178.653 176.300 0.098 0.000 1.139 223 R CA 1.855 58.042 56.100 0.145 0.000 0.952 223 R CB -0.118 30.252 30.300 0.117 0.000 0.854 223 R HN 0.463 nan 8.270 nan 0.000 0.436 224 Q N -0.956 118.898 119.800 0.090 0.000 2.124 224 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 224 Q C 1.965 177.854 176.000 -0.186 0.000 0.977 224 Q CA 1.684 57.453 55.803 -0.057 0.000 0.850 224 Q CB -0.117 28.562 28.738 -0.099 0.000 0.901 224 Q HN 0.340 nan 8.270 nan 0.000 0.429 225 F N 0.296 120.192 119.950 -0.090 0.000 2.259 225 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 225 F C 2.297 177.914 175.800 -0.306 0.000 1.088 225 F CA 0.909 58.722 58.000 -0.311 0.000 1.358 225 F CB -0.344 38.504 39.000 -0.253 0.000 1.040 225 F HN 0.046 nan 8.300 nan 0.000 0.505 226 A N -0.714 122.156 122.820 0.083 0.000 1.898 226 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 226 A C 2.251 179.847 177.584 0.020 0.000 1.181 226 A CA 2.208 54.285 52.037 0.066 0.000 0.620 226 A CB -1.237 17.808 19.000 0.076 0.000 0.819 226 A HN 0.306 nan 8.150 nan 0.000 0.442 227 T N -0.812 113.734 114.554 -0.013 0.000 2.746 227 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 227 T C 2.085 176.765 174.700 -0.032 0.000 1.039 227 T CA 1.530 63.618 62.100 -0.020 0.000 1.142 227 T CB -0.226 68.620 68.868 -0.036 0.000 0.866 227 T HN 0.564 nan 8.240 nan 0.000 0.444 228 R N -0.371 120.055 120.500 -0.123 0.000 2.096 228 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 228 R C 1.549 177.876 176.300 0.046 0.000 1.127 228 R CA 1.475 57.492 56.100 -0.139 0.000 0.968 228 R CB -0.129 29.944 30.300 -0.377 0.000 0.861 228 R HN 0.411 nan 8.270 nan 0.000 0.440 229 Y N -0.803 119.571 120.300 0.122 0.000 2.478 229 Y HA 0.356 4.906 4.550 -0.000 0.000 0.261 229 Y C 1.908 177.904 175.900 0.159 0.000 1.127 229 Y CA -0.372 57.827 58.100 0.166 0.000 1.288 229 Y CB -0.362 38.210 38.460 0.188 0.000 1.084 229 Y HN 0.131 nan 8.280 nan 0.000 0.530 230 A N 0.868 123.810 122.820 0.203 0.000 1.835 230 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 230 A C 2.085 179.743 177.584 0.123 0.000 1.199 230 A CA 1.597 53.708 52.037 0.124 0.000 0.615 230 A CB -0.573 18.460 19.000 0.056 0.000 0.838 230 A HN 0.278 nan 8.150 nan 0.000 0.444 231 K N -0.695 119.760 120.400 0.092 0.000 2.585 231 K HA -0.033 4.287 4.320 -0.000 0.000 0.194 231 K C 1.429 178.070 176.600 0.068 0.000 1.037 231 K CA 0.849 57.177 56.287 0.067 0.000 0.964 231 K CB -0.045 32.483 32.500 0.048 0.000 0.787 231 K HN 0.415 nan 8.250 nan 0.000 0.488 232 K N -1.343 119.118 120.400 0.102 0.000 2.387 232 K HA 0.101 4.421 4.320 -0.000 0.000 0.197 232 K C 0.786 177.339 176.600 -0.077 0.000 1.127 232 K CA 0.127 56.429 56.287 0.024 0.000 0.950 232 K CB 0.405 32.938 32.500 0.054 0.000 1.017 232 K HN -0.030 nan 8.250 nan 0.000 0.519 233 F N 0.597 120.533 119.950 -0.023 0.000 2.727 233 F HA 0.194 4.720 4.527 -0.000 0.000 0.302 233 F C 1.046 176.842 175.800 -0.007 0.000 1.097 233 F CA 0.448 58.422 58.000 -0.042 0.000 1.330 233 F CB 1.067 40.016 39.000 -0.086 0.000 1.084 233 F HN 0.155 nan 8.300 nan 0.000 0.578 234 G N 1.311 110.190 108.800 0.132 0.000 2.221 234 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.265 234 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.265 234 G C -0.384 174.565 174.900 0.083 0.000 1.041 234 G CA 0.313 45.467 45.100 0.089 0.000 0.807 234 G HN 0.203 nan 8.290 nan 0.000 0.502 235 V N 0.113 120.072 119.914 0.075 0.000 2.925 235 V HA 0.555 4.675 4.120 -0.000 0.000 0.311 235 V C 0.045 176.137 176.094 -0.003 0.000 1.104 235 V CA -0.575 61.731 62.300 0.010 0.000 0.954 235 V CB 2.190 33.973 31.823 -0.066 0.000 1.022 235 V HN 0.530 nan 8.190 nan 0.000 0.427 236 D N 1.861 122.250 120.400 -0.019 0.000 2.372 236 D HA 0.125 4.764 4.640 -0.000 0.000 0.243 236 D C 1.029 177.311 176.300 -0.029 0.000 1.121 236 D CA -0.466 53.526 54.000 -0.014 0.000 0.898 236 D CB 0.717 41.510 40.800 -0.013 0.000 1.202 236 D HN 0.689 nan 8.370 nan 0.000 0.428 237 K N 1.145 121.538 120.400 -0.011 0.000 2.280 237 K HA -0.177 4.143 4.320 -0.000 0.000 0.202 237 K C 1.771 178.361 176.600 -0.017 0.000 1.047 237 K CA 0.999 57.280 56.287 -0.010 0.000 0.942 237 K CB -0.330 32.177 32.500 0.011 0.000 0.739 237 K HN 0.394 nan 8.250 nan 0.000 0.457 238 A N 2.090 124.899 122.820 -0.017 0.000 1.902 238 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 238 A C 2.187 179.747 177.584 -0.040 0.000 1.181 238 A CA 1.911 53.938 52.037 -0.016 0.000 0.623 238 A CB -0.408 18.583 19.000 -0.014 0.000 0.818 238 A HN 0.299 nan 8.150 nan 0.000 0.443 239 K N -1.088 119.268 120.400 -0.073 0.000 2.103 239 K HA 0.024 4.344 4.320 -0.000 0.000 0.204 239 K C 1.926 178.409 176.600 -0.195 0.000 1.052 239 K CA 1.306 57.517 56.287 -0.128 0.000 0.945 239 K CB -0.303 32.106 32.500 -0.151 0.000 0.722 239 K HN 0.287 nan 8.250 nan 0.000 0.443 240 M N 0.763 120.253 119.600 -0.183 0.000 2.117 240 M HA -0.090 4.390 4.480 -0.000 0.000 0.262 240 M C 2.034 178.278 176.300 -0.093 0.000 1.065 240 M CA 1.665 56.832 55.300 -0.221 0.000 1.114 240 M CB -0.846 31.673 32.600 -0.135 0.000 1.361 240 M HN 0.350 nan 8.290 nan 0.000 0.408 241 M N -2.102 117.496 119.600 -0.004 0.000 2.394 241 M HA -0.088 4.392 4.480 -0.000 0.000 0.264 241 M C 0.853 177.216 176.300 0.105 0.000 1.073 241 M CA 1.341 56.693 55.300 0.086 0.000 1.111 241 M CB -0.782 31.880 32.600 0.102 0.000 1.401 241 M HN 0.004 nan 8.290 nan 0.000 0.448 242 D N 1.615 122.036 120.400 0.035 0.000 2.194 242 D HA -0.023 4.617 4.640 -0.000 0.000 0.204 242 D C 2.037 178.375 176.300 0.063 0.000 0.964 242 D CA 1.015 55.051 54.000 0.059 0.000 0.846 242 D CB -0.130 40.674 40.800 0.005 0.000 0.962 242 D HN 0.504 nan 8.370 nan 0.000 0.490 243 R N 0.049 120.523 120.500 -0.043 0.000 2.236 243 R HA 0.154 4.494 4.340 -0.000 0.000 0.208 243 R C 1.762 178.120 176.300 0.096 0.000 1.036 243 R CA 0.156 56.216 56.100 -0.066 0.000 1.001 243 R CB 0.157 30.161 30.300 -0.494 0.000 0.896 243 R HN 0.150 nan 8.270 nan 0.000 0.464 244 L N -0.072 121.248 121.223 0.162 0.000 2.611 244 L HA 0.159 4.499 4.340 -0.000 0.000 0.229 244 L C 0.158 177.327 176.870 0.498 0.000 1.137 244 L CA -0.148 54.880 54.840 0.312 0.000 0.901 244 L CB 0.070 42.315 42.059 0.310 0.000 1.098 244 L HN 0.258 nan 8.230 nan 0.000 0.456 245 W N -0.104 121.300 121.300 0.172 0.000 3.107 245 W HA 0.445 5.105 4.660 -0.000 0.000 0.331 245 W C 0.355 176.914 176.519 0.066 0.000 1.204 245 W CA 0.226 57.653 57.345 0.136 0.000 1.184 245 W CB 1.647 31.192 29.460 0.142 0.000 1.421 245 W HN 0.072 nan 8.180 nan 0.000 0.544 246 G N 3.364 111.445 108.800 -1.197 0.000 2.562 246 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.250 246 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.250 246 G C -0.437 174.184 174.900 -0.464 0.000 1.269 246 G CA 0.334 45.029 45.100 -0.675 0.000 0.919 246 G HN 0.496 nan 8.290 nan 0.000 0.574 247 D N 1.637 121.915 120.400 -0.204 0.000 2.688 247 D HA 0.486 5.126 4.640 -0.000 0.000 0.228 247 D C 0.020 176.277 176.300 -0.072 0.000 1.116 247 D CA 0.645 54.578 54.000 -0.112 0.000 1.023 247 D CB 0.287 41.204 40.800 0.194 0.000 1.100 247 D HN 0.412 nan 8.370 nan 0.000 0.487 248 S N 0.761 116.219 115.700 -0.403 0.000 2.561 248 S HA 0.582 5.052 4.470 -0.000 0.000 0.303 248 S C -0.681 173.695 174.600 -0.373 0.000 1.110 248 S CA -0.615 57.540 58.200 -0.074 0.000 1.034 248 S CB 0.893 64.153 63.200 0.100 0.000 1.010 248 S HN 0.100 nan 8.310 nan 0.000 0.482 249 F N 2.385 122.440 119.950 0.174 0.000 2.551 249 F HA 0.585 5.112 4.527 -0.000 0.000 0.316 249 F C -0.577 175.235 175.800 0.019 0.000 1.089 249 F CA -1.007 57.030 58.000 0.062 0.000 0.915 249 F CB 1.339 40.322 39.000 -0.028 0.000 1.186 249 F HN 0.510 nan 8.300 nan 0.000 0.456 250 F N 3.672 123.497 119.950 -0.208 0.000 2.403 250 F HA 0.422 4.949 4.527 -0.000 0.000 0.355 250 F C -0.426 175.198 175.800 -0.293 0.000 1.119 250 F CA -0.830 56.808 58.000 -0.603 0.000 1.007 250 F CB 0.610 38.963 39.000 -1.078 0.000 1.194 250 F HN 0.375 nan 8.300 nan 0.000 0.443 251 N N 8.217 126.473 118.700 -0.740 0.000 2.406 251 N HA 0.247 4.986 4.740 -0.000 0.000 0.251 251 N C -2.074 172.931 175.510 -0.843 0.000 1.069 251 N CA -2.072 50.641 53.050 -0.562 0.000 0.947 251 N CB 1.654 39.926 38.487 -0.358 0.000 1.111 251 N HN 0.335 nan 8.380 nan 0.000 0.497 252 P HA -0.091 nan 4.420 nan 0.000 0.218 252 P C 0.769 177.908 177.300 -0.267 0.000 1.148 252 P CA 1.369 64.251 63.100 -0.363 0.000 0.822 252 P CB 0.431 32.074 31.700 -0.095 0.000 0.784 253 K N -0.937 119.323 120.400 -0.234 0.000 2.097 253 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 253 K C 1.959 178.463 176.600 -0.159 0.000 1.050 253 K CA 2.014 58.206 56.287 -0.158 0.000 0.938 253 K CB -0.671 31.751 32.500 -0.131 0.000 0.718 253 K HN 0.306 nan 8.250 nan 0.000 0.442 254 T N -2.236 112.184 114.554 -0.222 0.000 3.037 254 T HA 0.114 4.464 4.350 -0.000 0.000 0.251 254 T C 0.539 175.128 174.700 -0.185 0.000 1.079 254 T CA -0.174 61.823 62.100 -0.172 0.000 1.067 254 T CB 0.264 69.037 68.868 -0.158 0.000 0.948 254 T HN -0.050 nan 8.240 nan 0.000 0.496 255 K N 0.433 120.615 120.400 -0.363 0.000 3.281 255 K HA -0.110 4.210 4.320 -0.000 0.000 0.295 255 K C -0.475 176.026 176.600 -0.166 0.000 1.233 255 K CA 0.807 56.915 56.287 -0.298 0.000 0.866 255 K CB -1.890 30.631 32.500 0.035 0.000 1.265 255 K HN 0.577 nan 8.250 nan 0.000 0.482 256 K N -0.591 119.607 120.400 -0.337 0.000 2.267 256 K HA 0.463 4.782 4.320 -0.000 0.000 0.246 256 K C -0.424 176.120 176.600 -0.094 0.000 0.954 256 K CA -0.763 55.498 56.287 -0.042 0.000 0.824 256 K CB 0.970 33.483 32.500 0.023 0.000 1.167 256 K HN -0.059 nan 8.250 nan 0.000 0.431 257 W N 1.017 122.436 121.300 0.198 0.000 2.361 257 W HA 0.359 5.019 4.660 -0.000 0.000 0.309 257 W C 0.512 177.115 176.519 0.140 0.000 1.122 257 W CA -0.161 57.316 57.345 0.220 0.000 1.208 257 W CB 1.682 31.265 29.460 0.203 0.000 1.246 257 W HN 0.407 nan 8.180 nan 0.000 0.490 258 T N 1.382 116.143 114.554 0.346 0.000 2.838 258 T HA 0.325 4.675 4.350 -0.000 0.000 0.292 258 T C 0.266 175.165 174.700 0.332 0.000 1.113 258 T CA -0.719 61.529 62.100 0.246 0.000 1.008 258 T CB 1.113 70.047 68.868 0.111 0.000 1.259 258 T HN 0.391 nan 8.240 nan 0.000 0.520 259 N N 0.923 119.763 118.700 0.233 0.000 2.187 259 N HA 0.204 4.943 4.740 -0.000 0.000 0.212 259 N C -0.490 175.110 175.510 0.150 0.000 1.152 259 N CA -0.035 53.184 53.050 0.281 0.000 0.872 259 N CB 0.633 39.227 38.487 0.178 0.000 1.025 259 N HN 0.418 nan 8.380 nan 0.000 0.514 260 K N 1.469 121.832 120.400 -0.061 0.000 2.211 260 K HA 0.077 4.397 4.320 -0.000 0.000 0.275 260 K C -0.024 176.067 176.600 -0.848 0.000 1.024 260 K CA -0.417 55.694 56.287 -0.294 0.000 0.887 260 K CB 1.123 33.511 32.500 -0.187 0.000 1.084 260 K HN 0.036 nan 8.250 nan 0.000 0.463 261 D N 0.786 120.596 120.400 -0.984 0.000 2.338 261 D HA -0.076 4.564 4.640 -0.000 0.000 0.239 261 D C 0.115 176.040 176.300 -0.625 0.000 1.095 261 D CA 0.052 53.258 54.000 -1.324 0.000 0.888 261 D CB 0.029 40.422 40.800 -0.678 0.000 0.899 261 D HN 0.425 nan 8.370 nan 0.000 0.525 262 T N -3.173 111.117 114.554 -0.441 0.000 2.883 262 T HA 0.487 4.837 4.350 -0.000 0.000 0.301 262 T C -0.736 173.839 174.700 -0.209 0.000 1.158 262 T CA -1.044 60.901 62.100 -0.258 0.000 1.007 262 T CB 2.325 71.087 68.868 -0.177 0.000 1.186 262 T HN 0.020 nan 8.240 nan 0.000 0.499 263 D N 0.822 121.129 120.400 -0.155 0.000 2.506 263 D HA 0.591 5.230 4.640 -0.000 0.000 0.272 263 D C 1.815 178.056 176.300 -0.098 0.000 1.214 263 D CA -0.324 53.601 54.000 -0.126 0.000 1.067 263 D CB 0.049 40.779 40.800 -0.116 0.000 1.117 263 D HN 0.701 nan 8.370 nan 0.000 0.578 264 A N -0.259 122.512 122.820 -0.081 0.000 1.892 264 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 264 A C 1.845 179.393 177.584 -0.059 0.000 1.188 264 A CA 1.932 53.931 52.037 -0.063 0.000 0.631 264 A CB -1.011 17.958 19.000 -0.053 0.000 0.822 264 A HN 0.595 nan 8.150 nan 0.000 0.447 265 E N -1.470 118.694 120.200 -0.061 0.000 2.409 265 E HA 0.231 4.581 4.350 -0.000 0.000 0.198 265 E C 1.348 177.913 176.600 -0.059 0.000 1.024 265 E CA 0.907 57.274 56.400 -0.055 0.000 0.861 265 E CB -0.345 29.323 29.700 -0.053 0.000 0.788 265 E HN 0.896 nan 8.360 nan 0.000 0.521 266 G N 0.443 109.200 108.800 -0.071 0.000 2.157 266 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.239 266 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.239 266 G C 0.036 174.887 174.900 -0.082 0.000 0.982 266 G CA 0.105 45.159 45.100 -0.076 0.000 0.650 266 G HN 0.256 nan 8.290 nan 0.000 0.527 267 K N 0.978 121.328 120.400 -0.083 0.000 2.295 267 K HA 0.397 4.716 4.320 -0.000 0.000 0.270 267 K C -2.476 174.062 176.600 -0.103 0.000 1.011 267 K CA -1.558 54.680 56.287 -0.082 0.000 0.953 267 K CB 0.630 33.084 32.500 -0.076 0.000 0.956 267 K HN 0.028 nan 8.250 nan 0.000 0.477 268 P HA 0.030 nan 4.420 nan 0.000 0.266 268 P C -0.884 176.358 177.300 -0.098 0.000 1.215 268 P CA 0.286 63.326 63.100 -0.099 0.000 0.763 268 P CB 0.421 32.079 31.700 -0.069 0.000 0.806 269 L N 2.830 123.977 121.223 -0.126 0.000 2.295 269 L HA 0.366 4.706 4.340 -0.000 0.000 0.285 269 L C 0.934 177.879 176.870 0.125 0.000 1.035 269 L CA -0.719 54.089 54.840 -0.054 0.000 0.806 269 L CB 1.351 43.330 42.059 -0.133 0.000 1.214 269 L HN 0.353 nan 8.230 nan 0.000 0.426 270 E N 4.454 124.700 120.200 0.077 0.000 2.259 270 E HA 0.092 4.442 4.350 -0.000 0.000 0.281 270 E C -0.042 176.573 176.600 0.025 0.000 1.037 270 E CA -0.696 55.721 56.400 0.028 0.000 0.854 270 E CB 0.899 30.533 29.700 -0.111 0.000 1.051 270 E HN 0.405 nan 8.360 nan 0.000 0.409 271 R N 3.496 123.911 120.500 -0.141 0.000 2.537 271 R HA -0.066 4.274 4.340 -0.000 0.000 0.281 271 R C 0.778 176.841 176.300 -0.395 0.000 0.988 271 R CA 0.723 56.457 56.100 -0.610 0.000 1.077 271 R CB 0.516 30.422 30.300 -0.657 0.000 0.932 271 R HN 0.746 nan 8.270 nan 0.000 0.409 272 A N 5.535 128.160 122.820 -0.325 0.000 1.948 272 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 272 A C 1.768 179.377 177.584 0.042 0.000 1.177 272 A CA 1.565 53.609 52.037 0.011 0.000 0.636 272 A CB -0.660 18.535 19.000 0.324 0.000 0.815 272 A HN 0.907 nan 8.150 nan 0.000 0.449 273 F N 1.452 121.290 119.950 -0.186 0.000 2.134 273 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 273 F C 1.919 177.621 175.800 -0.163 0.000 1.097 273 F CA 2.150 60.081 58.000 -0.115 0.000 1.264 273 F CB -0.313 38.588 39.000 -0.165 0.000 1.001 273 F HN 0.245 nan 8.300 nan 0.000 0.479 274 N N 0.029 118.582 118.700 -0.245 0.000 2.142 274 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 274 N C 1.982 177.249 175.510 -0.404 0.000 1.023 274 N CA 1.681 54.526 53.050 -0.342 0.000 0.852 274 N CB -0.556 37.765 38.487 -0.276 0.000 0.998 274 N HN 0.412 nan 8.380 nan 0.000 0.424 275 M N -1.154 118.197 119.600 -0.414 0.000 2.200 275 M HA -0.008 4.472 4.480 -0.000 0.000 0.265 275 M C 0.508 176.420 176.300 -0.647 0.000 1.066 275 M CA 1.505 56.461 55.300 -0.573 0.000 1.127 275 M CB 0.112 32.260 32.600 -0.755 0.000 1.379 275 M HN 0.001 nan 8.290 nan 0.000 0.420 276 F N -1.045 118.791 119.950 -0.191 0.000 2.694 276 F HA 0.258 4.785 4.527 -0.000 0.000 0.292 276 F C 1.639 177.332 175.800 -0.179 0.000 1.121 276 F CA 0.302 58.213 58.000 -0.147 0.000 1.352 276 F CB 0.098 39.038 39.000 -0.100 0.000 1.107 276 F HN 0.032 nan 8.300 nan 0.000 0.597 277 I N -1.291 119.062 120.570 -0.362 0.000 3.194 277 I HA -0.047 4.122 4.170 -0.000 0.000 0.271 277 I C 1.904 177.638 176.117 -0.639 0.000 1.150 277 I CA 0.465 61.230 61.300 -0.891 0.000 1.440 277 I CB -0.026 37.159 38.000 -1.358 0.000 1.276 277 I HN -0.061 nan 8.210 nan 0.000 0.457 278 L N 0.507 121.380 121.223 -0.584 0.000 2.044 278 L HA -0.172 4.168 4.340 -0.000 0.000 0.205 278 L C 2.113 178.908 176.870 -0.125 0.000 1.075 278 L CA 1.552 56.218 54.840 -0.290 0.000 0.747 278 L CB -0.574 41.250 42.059 -0.392 0.000 0.903 278 L HN 0.245 nan 8.230 nan 0.000 0.435 279 D N -0.006 120.242 120.400 -0.254 0.000 2.116 279 D HA -0.163 4.477 4.640 -0.000 0.000 0.193 279 D C -0.695 175.618 176.300 0.022 0.000 0.998 279 D CA 1.552 55.461 54.000 -0.151 0.000 0.836 279 D CB -0.610 40.068 40.800 -0.203 0.000 0.951 279 D HN 0.110 nan 8.370 nan 0.000 0.449 280 P HA -0.094 nan 4.420 nan 0.000 0.216 280 P C 1.395 178.782 177.300 0.144 0.000 1.150 280 P CA 1.043 64.205 63.100 0.103 0.000 0.837 280 P CB 0.023 31.846 31.700 0.205 0.000 0.786 281 I N -2.612 118.069 120.570 0.185 0.000 2.202 281 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 281 I C 2.062 178.244 176.117 0.108 0.000 1.091 281 I CA 1.299 62.697 61.300 0.163 0.000 1.368 281 I CB -0.583 37.454 38.000 0.062 0.000 1.058 281 I HN -0.149 nan 8.210 nan 0.000 0.410 282 F N 1.282 121.171 119.950 -0.103 0.000 2.126 282 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 282 F C 2.705 178.517 175.800 0.020 0.000 1.096 282 F CA 1.519 59.467 58.000 -0.087 0.000 1.255 282 F CB -0.607 38.341 39.000 -0.086 0.000 0.997 282 F HN -0.091 nan 8.300 nan 0.000 0.479 283 R N -0.191 120.430 120.500 0.201 0.000 2.096 283 R HA -0.134 4.205 4.340 -0.000 0.000 0.235 283 R C 2.251 178.605 176.300 0.090 0.000 1.127 283 R CA 1.145 57.313 56.100 0.114 0.000 0.968 283 R CB -0.621 29.717 30.300 0.062 0.000 0.861 283 R HN 0.328 nan 8.270 nan 0.000 0.440 284 L N -0.548 120.741 121.223 0.110 0.000 2.027 284 L HA -0.169 4.171 4.340 -0.000 0.000 0.206 284 L C 2.148 179.081 176.870 0.105 0.000 1.074 284 L CA 1.444 56.328 54.840 0.074 0.000 0.745 284 L CB -0.379 41.725 42.059 0.075 0.000 0.898 284 L HN 0.141 nan 8.230 nan 0.000 0.433 285 F N -0.078 119.817 119.950 -0.093 0.000 2.051 285 F HA -0.275 4.251 4.527 -0.000 0.000 0.296 285 F C 2.697 178.437 175.800 -0.099 0.000 1.122 285 F CA 1.768 59.702 58.000 -0.109 0.000 1.201 285 F CB -0.606 38.307 39.000 -0.145 0.000 0.978 285 F HN 0.012 nan 8.300 nan 0.000 0.472 286 T N -0.145 114.495 114.554 0.143 0.000 2.720 286 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 286 T C 2.064 176.766 174.700 0.003 0.000 1.037 286 T CA 1.301 63.440 62.100 0.064 0.000 1.144 286 T CB -0.594 68.322 68.868 0.080 0.000 0.864 286 T HN 0.340 nan 8.240 nan 0.000 0.444 287 A N 0.835 123.650 122.820 -0.008 0.000 1.897 287 A HA 0.091 4.410 4.320 -0.000 0.000 0.215 287 A C 2.293 179.805 177.584 -0.120 0.000 1.181 287 A CA 0.938 52.949 52.037 -0.043 0.000 0.620 287 A CB -0.594 18.387 19.000 -0.031 0.000 0.821 287 A HN 0.505 nan 8.150 nan 0.000 0.443 288 I N -0.647 119.823 120.570 -0.166 0.000 2.286 288 I HA -0.205 3.964 4.170 -0.000 0.000 0.245 288 I C 2.250 178.075 176.117 -0.487 0.000 1.104 288 I CA 0.982 62.110 61.300 -0.286 0.000 1.397 288 I CB -0.269 37.570 38.000 -0.269 0.000 1.072 288 I HN 0.232 nan 8.210 nan 0.000 0.417 289 M N -0.025 119.353 119.600 -0.369 0.000 2.476 289 M HA -0.054 4.426 4.480 -0.000 0.000 0.262 289 M C 1.047 177.123 176.300 -0.373 0.000 1.079 289 M CA 1.228 56.289 55.300 -0.398 0.000 1.104 289 M CB -1.026 31.470 32.600 -0.174 0.000 1.409 289 M HN 0.240 nan 8.290 nan 0.000 0.467 290 N N -0.295 118.264 118.700 -0.235 0.000 2.214 290 N HA 0.110 4.850 4.740 -0.000 0.000 0.214 290 N C -0.359 175.228 175.510 0.129 0.000 1.132 290 N CA -0.010 53.047 53.050 0.011 0.000 0.856 290 N CB 0.278 38.791 38.487 0.042 0.000 1.020 290 N HN 0.209 nan 8.380 nan 0.000 0.509 291 F N 0.459 120.405 119.950 -0.008 0.000 3.100 291 F HA -0.262 4.264 4.527 -0.000 0.000 0.283 291 F C 0.220 176.016 175.800 -0.007 0.000 0.900 291 F CA 0.475 58.469 58.000 -0.011 0.000 1.010 291 F CB -2.154 36.841 39.000 -0.009 0.000 1.029 291 F HN -0.078 nan 8.300 nan 0.000 0.637 292 K N 1.415 121.851 120.400 0.059 0.000 2.199 292 K HA 0.019 4.339 4.320 -0.000 0.000 0.226 292 K C 1.351 177.970 176.600 0.031 0.000 1.237 292 K CA 0.143 56.458 56.287 0.047 0.000 1.170 292 K CB -0.065 32.446 32.500 0.019 0.000 1.418 292 K HN 0.517 nan 8.250 nan 0.000 0.255 293 K N -0.205 120.229 120.400 0.057 0.000 2.520 293 K HA -0.172 4.148 4.320 -0.000 0.000 0.197 293 K C 0.133 176.745 176.600 0.020 0.000 1.044 293 K CA 1.267 57.578 56.287 0.040 0.000 0.938 293 K CB 0.185 32.719 32.500 0.058 0.000 0.767 293 K HN 0.227 nan 8.250 nan 0.000 0.481 294 D N 0.828 121.238 120.400 0.017 0.000 2.407 294 D HA 0.023 4.663 4.640 -0.000 0.000 0.208 294 D C 0.915 177.216 176.300 0.002 0.000 1.083 294 D CA 0.345 54.350 54.000 0.009 0.000 0.844 294 D CB 0.563 41.369 40.800 0.011 0.000 0.967 294 D HN 0.416 nan 8.370 nan 0.000 0.506 295 E N -0.045 120.155 120.200 -0.000 0.000 2.389 295 E HA 0.162 4.512 4.350 -0.000 0.000 0.199 295 E C 1.967 178.555 176.600 -0.019 0.000 0.978 295 E CA -0.055 56.340 56.400 -0.007 0.000 0.912 295 E CB 0.841 30.539 29.700 -0.003 0.000 0.907 295 E HN 0.175 nan 8.360 nan 0.000 0.494 296 I N 1.558 122.114 120.570 -0.023 0.000 2.233 296 I HA -0.130 4.040 4.170 -0.000 0.000 0.243 296 I C -0.806 175.288 176.117 -0.039 0.000 1.093 296 I CA 0.883 62.159 61.300 -0.040 0.000 1.380 296 I CB -1.079 36.893 38.000 -0.047 0.000 1.067 296 I HN 0.015 nan 8.210 nan 0.000 0.413 297 P HA -0.125 nan 4.420 nan 0.000 0.215 297 P C 1.970 179.253 177.300 -0.029 0.000 1.153 297 P CA 1.217 64.302 63.100 -0.026 0.000 0.853 297 P CB 0.058 31.749 31.700 -0.015 0.000 0.788 298 V N -0.655 119.244 119.914 -0.025 0.000 2.270 298 V HA -0.208 3.911 4.120 -0.000 0.000 0.245 298 V C 2.382 178.455 176.094 -0.035 0.000 1.043 298 V CA 1.485 63.771 62.300 -0.024 0.000 1.014 298 V CB -1.273 30.539 31.823 -0.018 0.000 0.645 298 V HN 0.036 nan 8.190 nan 0.000 0.447 299 L N -0.536 120.662 121.223 -0.042 0.000 2.013 299 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 299 L C 2.183 178.999 176.870 -0.091 0.000 1.073 299 L CA 1.959 56.763 54.840 -0.059 0.000 0.753 299 L CB -0.699 41.324 42.059 -0.058 0.000 0.890 299 L HN 0.187 nan 8.230 nan 0.000 0.432 300 L N -0.662 120.508 121.223 -0.089 0.000 2.083 300 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 300 L C 2.538 179.361 176.870 -0.079 0.000 1.083 300 L CA 1.727 56.505 54.840 -0.104 0.000 0.752 300 L CB -0.882 41.130 42.059 -0.078 0.000 0.899 300 L HN 0.419 nan 8.230 nan 0.000 0.433 301 E N -0.254 119.914 120.200 -0.052 0.000 2.047 301 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 301 E C 2.111 178.691 176.600 -0.033 0.000 0.987 301 E CA 1.130 57.509 56.400 -0.035 0.000 0.799 301 E CB 0.087 29.773 29.700 -0.024 0.000 0.752 301 E HN 0.389 nan 8.360 nan 0.000 0.449 302 K N 0.041 120.419 120.400 -0.036 0.000 2.097 302 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 302 K C 1.899 178.486 176.600 -0.022 0.000 1.049 302 K CA 0.955 57.228 56.287 -0.023 0.000 0.933 302 K CB -0.029 32.459 32.500 -0.021 0.000 0.717 302 K HN 0.245 nan 8.250 nan 0.000 0.442 303 L N 0.905 122.083 121.223 -0.075 0.000 2.591 303 L HA 0.039 4.379 4.340 -0.000 0.000 0.228 303 L C -0.319 176.514 176.870 -0.062 0.000 1.133 303 L CA 0.127 54.900 54.840 -0.112 0.000 0.880 303 L CB -0.275 41.558 42.059 -0.377 0.000 1.033 303 L HN 0.222 nan 8.230 nan 0.000 0.450 304 E N 0.958 121.138 120.200 -0.035 0.000 2.320 304 E HA -0.207 4.143 4.350 -0.000 0.000 0.234 304 E C -0.378 176.217 176.600 -0.008 0.000 1.183 304 E CA 0.158 56.554 56.400 -0.008 0.000 0.713 304 E CB -1.074 28.639 29.700 0.021 0.000 1.226 304 E HN 0.265 nan 8.360 nan 0.000 0.382 305 I N 1.237 121.783 120.570 -0.040 0.000 2.377 305 I HA 0.271 4.441 4.170 -0.000 0.000 0.293 305 I C 0.711 176.818 176.117 -0.016 0.000 0.987 305 I CA -0.845 60.439 61.300 -0.026 0.000 1.185 305 I CB 1.400 39.358 38.000 -0.071 0.000 1.341 305 I HN -0.023 nan 8.210 nan 0.000 0.455 306 V N 5.495 125.410 119.914 0.002 0.000 2.378 306 V HA 0.560 4.680 4.120 -0.000 0.000 0.288 306 V C -0.311 175.785 176.094 0.003 0.000 1.016 306 V CA -0.776 61.524 62.300 0.001 0.000 0.840 306 V CB 1.480 33.307 31.823 0.007 0.000 0.994 306 V HN 0.474 nan 8.190 nan 0.000 0.431 307 L N 5.587 126.808 121.223 -0.003 0.000 2.305 307 L HA 0.607 4.947 4.340 -0.000 0.000 0.281 307 L C 0.351 177.222 176.870 0.002 0.000 1.085 307 L CA -0.374 54.465 54.840 -0.001 0.000 0.813 307 L CB 1.292 43.347 42.059 -0.008 0.000 1.157 307 L HN 0.874 nan 8.230 nan 0.000 0.436 308 K N 2.111 122.515 120.400 0.005 0.000 2.378 308 K HA 0.786 5.105 4.320 -0.000 0.000 0.252 308 K C 0.294 176.898 176.600 0.006 0.000 0.931 308 K CA -0.268 56.023 56.287 0.006 0.000 0.794 308 K CB 2.155 34.661 32.500 0.009 0.000 1.181 308 K HN 0.640 nan 8.250 nan 0.000 0.425 309 G N 3.216 112.019 108.800 0.005 0.000 2.574 309 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.286 309 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.286 309 G C 0.247 175.150 174.900 0.005 0.000 1.212 309 G CA 0.644 45.747 45.100 0.005 0.000 0.979 309 G HN 0.762 nan 8.290 nan 0.000 0.557 310 D N 1.332 121.735 120.400 0.005 0.000 2.315 310 D HA 0.006 4.646 4.640 -0.000 0.000 0.211 310 D C 2.334 178.636 176.300 0.005 0.000 0.977 310 D CA 1.524 55.527 54.000 0.006 0.000 0.894 310 D CB -0.234 40.570 40.800 0.006 0.000 0.910 310 D HN 0.730 nan 8.370 nan 0.000 0.490 311 E N 0.627 120.829 120.200 0.004 0.000 2.110 311 E HA -0.149 4.200 4.350 -0.000 0.000 0.193 311 E C 1.776 178.375 176.600 -0.001 0.000 0.988 311 E CA 0.719 57.119 56.400 0.001 0.000 0.804 311 E CB -0.089 29.612 29.700 0.001 0.000 0.745 311 E HN 0.310 nan 8.360 nan 0.000 0.458 312 K N 0.750 121.150 120.400 0.000 0.000 2.286 312 K HA -0.167 4.153 4.320 -0.000 0.000 0.203 312 K C 1.170 177.772 176.600 0.004 0.000 1.045 312 K CA 1.184 57.471 56.287 0.000 0.000 0.935 312 K CB 0.011 32.512 32.500 0.001 0.000 0.737 312 K HN 0.150 nan 8.250 nan 0.000 0.460 313 D N 0.420 120.824 120.400 0.007 0.000 2.327 313 D HA 0.040 4.680 4.640 -0.000 0.000 0.205 313 D C 0.724 177.036 176.300 0.020 0.000 0.989 313 D CA 0.236 54.244 54.000 0.014 0.000 0.873 313 D CB 0.130 40.937 40.800 0.012 0.000 0.955 313 D HN 0.097 nan 8.370 nan 0.000 0.515 314 L N 1.189 122.419 121.223 0.012 0.000 2.492 314 L HA 0.069 4.409 4.340 -0.000 0.000 0.280 314 L C 0.772 177.655 176.870 0.022 0.000 1.240 314 L CA 0.703 55.550 54.840 0.013 0.000 0.831 314 L CB 0.317 42.371 42.059 -0.008 0.000 1.100 314 L HN -0.131 nan 8.230 nan 0.000 0.505 315 E N -0.295 119.931 120.200 0.044 0.000 2.458 315 E HA 0.530 4.879 4.350 -0.000 0.000 0.278 315 E C 0.003 176.602 176.600 -0.000 0.000 1.004 315 E CA -0.416 56.026 56.400 0.069 0.000 0.823 315 E CB 1.678 31.561 29.700 0.305 0.000 1.396 315 E HN 0.723 nan 8.360 nan 0.000 0.463 316 G N 1.125 109.787 108.800 -0.230 0.000 2.581 316 G HA2 -0.405 3.554 3.960 -0.000 0.000 0.291 316 G HA3 -0.405 3.554 3.960 -0.000 0.000 0.291 316 G C 0.592 175.365 174.900 -0.211 0.000 1.277 316 G CA 0.778 45.701 45.100 -0.295 0.000 0.959 316 G HN 0.579 nan 8.290 nan 0.000 0.554 317 K N 0.198 120.511 120.400 -0.145 0.000 2.074 317 K HA -0.060 4.260 4.320 -0.000 0.000 0.209 317 K C 3.116 179.615 176.600 -0.168 0.000 1.048 317 K CA 2.053 58.236 56.287 -0.175 0.000 0.926 317 K CB -0.442 31.992 32.500 -0.110 0.000 0.713 317 K HN 0.732 nan 8.250 nan 0.000 0.444 318 A N 1.485 124.248 122.820 -0.095 0.000 1.883 318 A HA -0.193 4.126 4.320 -0.000 0.000 0.217 318 A C 2.142 179.675 177.584 -0.085 0.000 1.186 318 A CA 1.470 53.464 52.037 -0.071 0.000 0.624 318 A CB -0.572 18.413 19.000 -0.025 0.000 0.822 318 A HN 0.259 nan 8.150 nan 0.000 0.444 319 L N -0.982 120.183 121.223 -0.096 0.000 2.056 319 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 319 L C 2.245 179.032 176.870 -0.139 0.000 1.078 319 L CA 1.942 56.722 54.840 -0.100 0.000 0.749 319 L CB -0.672 41.324 42.059 -0.105 0.000 0.901 319 L HN 0.353 nan 8.230 nan 0.000 0.433 320 L N -0.072 121.023 121.223 -0.212 0.000 1.970 320 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 320 L C 2.526 179.262 176.870 -0.223 0.000 1.071 320 L CA 2.011 56.677 54.840 -0.290 0.000 0.751 320 L CB -0.737 41.051 42.059 -0.451 0.000 0.889 320 L HN 0.257 nan 8.230 nan 0.000 0.432 321 K N -1.170 119.097 120.400 -0.221 0.000 2.044 321 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 321 K C 1.920 178.507 176.600 -0.021 0.000 1.049 321 K CA 1.887 58.091 56.287 -0.139 0.000 0.927 321 K CB -0.549 31.850 32.500 -0.168 0.000 0.713 321 K HN 0.284 nan 8.250 nan 0.000 0.443 322 V N 0.854 120.746 119.914 -0.036 0.000 2.427 322 V HA -0.186 3.934 4.120 -0.000 0.000 0.248 322 V C 2.224 178.328 176.094 0.016 0.000 1.051 322 V CA 1.341 63.641 62.300 0.001 0.000 1.048 322 V CB -0.154 31.662 31.823 -0.011 0.000 0.666 322 V HN 0.109 nan 8.190 nan 0.000 0.456 323 V N -0.621 119.283 119.914 -0.016 0.000 2.379 323 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 323 V C 2.436 178.572 176.094 0.070 0.000 1.044 323 V CA 1.676 63.975 62.300 -0.001 0.000 1.036 323 V CB -0.442 31.345 31.823 -0.060 0.000 0.664 323 V HN 0.410 nan 8.190 nan 0.000 0.453 324 M N -0.659 118.972 119.600 0.051 0.000 2.229 324 M HA -0.095 4.384 4.480 -0.000 0.000 0.264 324 M C 2.279 178.714 176.300 0.226 0.000 1.063 324 M CA 1.527 56.888 55.300 0.101 0.000 1.114 324 M CB -1.076 31.446 32.600 -0.130 0.000 1.387 324 M HN 0.290 nan 8.290 nan 0.000 0.420 325 R N 0.179 120.802 120.500 0.206 0.000 2.092 325 R HA -0.101 4.239 4.340 -0.000 0.000 0.231 325 R C 2.219 178.617 176.300 0.163 0.000 1.119 325 R CA 1.133 57.355 56.100 0.203 0.000 0.970 325 R CB -0.095 30.294 30.300 0.149 0.000 0.864 325 R HN 0.381 nan 8.270 nan 0.000 0.440 326 K N -0.441 120.047 120.400 0.147 0.000 2.116 326 K HA -0.083 4.236 4.320 -0.000 0.000 0.203 326 K C 1.802 178.519 176.600 0.195 0.000 1.052 326 K CA 0.897 57.264 56.287 0.134 0.000 0.952 326 K CB -0.121 32.438 32.500 0.099 0.000 0.729 326 K HN 0.039 nan 8.250 nan 0.000 0.446 327 F N 1.096 121.065 119.950 0.032 0.000 2.146 327 F HA 0.038 4.565 4.527 -0.000 0.000 0.298 327 F C 0.443 176.260 175.800 0.029 0.000 1.096 327 F CA 1.071 59.080 58.000 0.015 0.000 1.275 327 F CB 0.231 39.233 39.000 0.003 0.000 1.008 327 F HN -0.185 nan 8.300 nan 0.000 0.480 328 L N 1.257 122.479 121.223 -0.003 0.000 2.448 328 L HA 0.313 4.653 4.340 -0.000 0.000 0.257 328 L C -2.625 174.339 176.870 0.157 0.000 1.504 328 L CA -1.831 52.978 54.840 -0.053 0.000 0.852 328 L CB 1.136 43.121 42.059 -0.123 0.000 1.051 328 L HN -0.198 nan 8.230 nan 0.000 0.518 329 P HA -0.014 nan 4.420 nan 0.000 0.262 329 P C 0.697 178.070 177.300 0.121 0.000 1.182 329 P CA 0.320 63.497 63.100 0.128 0.000 0.761 329 P CB 1.253 33.002 31.700 0.081 0.000 0.795 330 A N 5.417 128.313 122.820 0.126 0.000 1.841 330 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 330 A C 2.211 179.812 177.584 0.028 0.000 1.199 330 A CA 2.262 54.339 52.037 0.067 0.000 0.621 330 A CB -1.739 17.276 19.000 0.024 0.000 0.835 330 A HN 0.515 nan 8.150 nan 0.000 0.445 331 A N 0.010 122.845 122.820 0.025 0.000 1.940 331 A HA -0.337 3.983 4.320 -0.000 0.000 0.221 331 A C 1.720 179.308 177.584 0.007 0.000 1.190 331 A CA 2.502 54.546 52.037 0.012 0.000 0.647 331 A CB -0.992 18.021 19.000 0.022 0.000 0.821 331 A HN 0.526 nan 8.150 nan 0.000 0.457 332 D N -0.330 120.081 120.400 0.019 0.000 2.123 332 D HA -0.052 4.588 4.640 -0.000 0.000 0.196 332 D C 2.252 178.551 176.300 -0.001 0.000 0.992 332 D CA 1.634 55.640 54.000 0.009 0.000 0.833 332 D CB -0.457 40.352 40.800 0.015 0.000 0.954 332 D HN 0.481 nan 8.370 nan 0.000 0.455 333 A N 0.454 123.281 122.820 0.010 0.000 1.873 333 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 333 A C 2.366 179.932 177.584 -0.030 0.000 1.186 333 A CA 0.988 53.028 52.037 0.005 0.000 0.616 333 A CB -0.778 18.234 19.000 0.021 0.000 0.823 333 A HN 0.212 nan 8.150 nan 0.000 0.442 334 L N -0.670 120.527 121.223 -0.043 0.000 2.017 334 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 334 L C 2.577 179.417 176.870 -0.051 0.000 1.073 334 L CA 1.200 56.005 54.840 -0.059 0.000 0.745 334 L CB -0.793 41.231 42.059 -0.058 0.000 0.894 334 L HN 0.336 nan 8.230 nan 0.000 0.432 335 L N -0.245 120.953 121.223 -0.042 0.000 2.079 335 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 335 L C 2.685 179.503 176.870 -0.087 0.000 1.081 335 L CA 1.253 56.059 54.840 -0.056 0.000 0.752 335 L CB -0.530 41.504 42.059 -0.041 0.000 0.896 335 L HN 0.363 nan 8.230 nan 0.000 0.433 336 E N 0.358 120.518 120.200 -0.067 0.000 2.051 336 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 336 E C 2.328 178.890 176.600 -0.063 0.000 0.991 336 E CA 1.364 57.718 56.400 -0.076 0.000 0.799 336 E CB -0.017 29.663 29.700 -0.033 0.000 0.748 336 E HN 0.460 nan 8.360 nan 0.000 0.449 337 M N 0.120 119.714 119.600 -0.009 0.000 2.175 337 M HA -0.110 4.369 4.480 -0.000 0.000 0.264 337 M C 2.303 178.612 176.300 0.015 0.000 1.063 337 M CA 1.037 56.384 55.300 0.078 0.000 1.119 337 M CB -0.166 32.440 32.600 0.010 0.000 1.377 337 M HN 0.175 nan 8.290 nan 0.000 0.415 338 I N -0.471 120.068 120.570 -0.051 0.000 2.142 338 I HA -0.255 3.914 4.170 -0.000 0.000 0.240 338 I C 2.339 178.375 176.117 -0.136 0.000 1.078 338 I CA 1.168 62.427 61.300 -0.069 0.000 1.343 338 I CB -0.396 37.565 38.000 -0.065 0.000 1.046 338 I HN 0.046 nan 8.210 nan 0.000 0.405 339 V N 0.920 120.690 119.914 -0.240 0.000 2.307 339 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 339 V C 2.295 178.133 176.094 -0.426 0.000 1.045 339 V CA 1.659 63.685 62.300 -0.457 0.000 1.024 339 V CB -0.444 30.951 31.823 -0.714 0.000 0.651 339 V HN 0.356 nan 8.190 nan 0.000 0.449 340 L N -1.057 119.935 121.223 -0.386 0.000 2.217 340 L HA -0.072 4.268 4.340 -0.000 0.000 0.211 340 L C 2.399 178.907 176.870 -0.604 0.000 1.107 340 L CA 1.211 55.751 54.840 -0.500 0.000 0.783 340 L CB -0.508 41.191 42.059 -0.600 0.000 0.919 340 L HN 0.483 nan 8.230 nan 0.000 0.442 341 H N -1.397 117.618 119.070 -0.092 0.000 2.657 341 H HA 0.291 4.846 4.556 -0.000 0.000 0.262 341 H C 0.848 176.153 175.328 -0.038 0.000 0.965 341 H CA -0.274 55.740 56.048 -0.056 0.000 1.184 341 H CB 0.545 30.273 29.762 -0.056 0.000 1.443 341 H HN 0.115 nan 8.280 nan 0.000 0.462 342 L N 4.715 125.969 121.223 0.053 0.000 2.426 342 L HA 0.135 4.475 4.340 -0.000 0.000 0.271 342 L C -1.908 174.981 176.870 0.032 0.000 1.169 342 L CA -1.613 53.250 54.840 0.039 0.000 0.836 342 L CB 0.399 42.466 42.059 0.013 0.000 1.112 342 L HN -0.041 nan 8.230 nan 0.000 0.465 343 P HA 0.081 nan 4.420 nan 0.000 0.274 343 P C -0.624 176.700 177.300 0.040 0.000 1.231 343 P CA -0.440 62.704 63.100 0.072 0.000 0.790 343 P CB 1.291 33.075 31.700 0.140 0.000 0.951 344 S N 1.996 117.715 115.700 0.032 0.000 2.681 344 S HA 0.347 4.817 4.470 -0.000 0.000 0.270 344 S C -1.805 172.792 174.600 -0.005 0.000 1.209 344 S CA -1.197 57.017 58.200 0.024 0.000 0.988 344 S CB 0.048 63.271 63.200 0.038 0.000 1.006 344 S HN 0.232 nan 8.310 nan 0.000 0.558 345 P HA -0.006 nan 4.420 nan 0.000 0.217 345 P C 1.563 178.831 177.300 -0.053 0.000 1.151 345 P CA 0.529 63.602 63.100 -0.046 0.000 0.828 345 P CB -0.156 31.506 31.700 -0.065 0.000 0.788 346 V N -0.394 119.499 119.914 -0.036 0.000 2.287 346 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 346 V C 2.299 178.362 176.094 -0.052 0.000 1.053 346 V CA 2.609 64.888 62.300 -0.034 0.000 1.027 346 V CB -1.771 30.043 31.823 -0.014 0.000 0.646 346 V HN 0.197 nan 8.190 nan 0.000 0.447 347 T N 0.214 114.745 114.554 -0.038 0.000 2.737 347 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 347 T C 2.040 176.624 174.700 -0.194 0.000 1.038 347 T CA 1.679 63.762 62.100 -0.027 0.000 1.144 347 T CB -0.406 68.490 68.868 0.047 0.000 0.866 347 T HN 0.565 nan 8.240 nan 0.000 0.434 348 A N 1.430 124.086 122.820 -0.274 0.000 1.897 348 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 348 A C 2.207 179.355 177.584 -0.728 0.000 1.181 348 A CA 1.122 52.750 52.037 -0.681 0.000 0.620 348 A CB -0.608 18.246 19.000 -0.244 0.000 0.821 348 A HN 0.535 nan 8.150 nan 0.000 0.443 349 Q N -0.422 119.199 119.800 -0.298 0.000 2.439 349 Q HA -0.055 4.284 4.340 -0.000 0.000 0.211 349 Q C 2.132 178.017 176.000 -0.191 0.000 0.978 349 Q CA 0.812 56.518 55.803 -0.161 0.000 0.897 349 Q CB -0.356 28.383 28.738 0.001 0.000 0.956 349 Q HN 0.704 nan 8.270 nan 0.000 0.483 350 A N 0.863 123.531 122.820 -0.253 0.000 1.968 350 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 350 A C 1.492 179.045 177.584 -0.053 0.000 1.169 350 A CA 1.061 53.026 52.037 -0.119 0.000 0.638 350 A CB -0.384 18.584 19.000 -0.053 0.000 0.812 350 A HN 0.590 nan 8.150 nan 0.000 0.446 351 Y N -3.621 116.691 120.300 0.020 0.000 2.481 351 Y HA 0.588 5.138 4.550 -0.000 0.000 0.247 351 Y C 1.606 177.512 175.900 0.010 0.000 1.151 351 Y CA -0.314 57.795 58.100 0.015 0.000 1.238 351 Y CB -0.130 38.340 38.460 0.017 0.000 1.179 351 Y HN 0.085 nan 8.280 nan 0.000 0.524 352 R N 0.145 120.619 120.500 -0.044 0.000 2.307 352 R HA 0.369 4.709 4.340 -0.000 0.000 0.200 352 R C 2.244 178.517 176.300 -0.045 0.000 0.893 352 R CA 0.738 56.844 56.100 0.009 0.000 1.042 352 R CB 0.080 30.350 30.300 -0.051 0.000 1.059 352 R HN 0.359 nan 8.270 nan 0.000 0.530 353 A N 1.678 124.462 122.820 -0.061 0.000 1.881 353 A HA -0.295 4.024 4.320 -0.000 0.000 0.219 353 A C 1.755 179.326 177.584 -0.021 0.000 1.215 353 A CA 1.989 53.985 52.037 -0.068 0.000 0.648 353 A CB -0.525 18.444 19.000 -0.050 0.000 0.832 353 A HN 0.408 nan 8.150 nan 0.000 0.455 354 E N -0.654 119.555 120.200 0.015 0.000 2.085 354 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 354 E C 2.368 178.975 176.600 0.011 0.000 0.994 354 E CA 1.430 57.851 56.400 0.035 0.000 0.801 354 E CB -0.255 29.464 29.700 0.032 0.000 0.743 354 E HN 0.767 nan 8.360 nan 0.000 0.453 355 Q N 0.530 120.327 119.800 -0.006 0.000 2.016 355 Q HA -0.127 4.212 4.340 -0.000 0.000 0.200 355 Q C 2.483 178.443 176.000 -0.067 0.000 0.978 355 Q CA 1.025 56.812 55.803 -0.027 0.000 0.833 355 Q CB -0.208 28.521 28.738 -0.015 0.000 0.895 355 Q HN 0.306 nan 8.270 nan 0.000 0.427 356 L N -0.451 120.703 121.223 -0.116 0.000 2.129 356 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 356 L C 0.832 177.642 176.870 -0.099 0.000 1.087 356 L CA 0.683 55.389 54.840 -0.224 0.000 0.757 356 L CB -0.230 41.563 42.059 -0.443 0.000 0.896 356 L HN 0.196 nan 8.230 nan 0.000 0.434 357 Y N 0.708 120.900 120.300 -0.179 0.000 2.335 357 Y HA 0.146 4.695 4.550 -0.000 0.000 0.339 357 Y C 1.242 177.083 175.900 -0.098 0.000 0.987 357 Y CA -1.071 56.955 58.100 -0.123 0.000 1.140 357 Y CB 0.733 39.131 38.460 -0.104 0.000 1.173 357 Y HN -0.036 nan 8.280 nan 0.000 0.486 358 E N 3.317 123.224 120.200 -0.489 0.000 2.106 358 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 358 E C 1.257 177.389 176.600 -0.780 0.000 0.984 358 E CA 0.822 56.938 56.400 -0.474 0.000 0.806 358 E CB -0.235 29.288 29.700 -0.294 0.000 0.750 358 E HN 0.906 nan 8.360 nan 0.000 0.458 359 G N 2.280 110.204 108.800 -1.460 0.000 2.518 359 G HA2 0.028 3.987 3.960 -0.000 0.000 0.284 359 G HA3 0.028 3.987 3.960 -0.000 0.000 0.284 359 G C -2.276 172.347 174.900 -0.462 0.000 1.362 359 G CA -0.688 43.683 45.100 -1.215 0.000 1.065 359 G HN 0.038 nan 8.290 nan 0.000 0.561 360 P HA 0.301 nan 4.420 nan 0.000 0.271 360 P C 0.368 177.733 177.300 0.108 0.000 1.216 360 P CA 0.333 63.437 63.100 0.006 0.000 0.771 360 P CB 1.301 33.030 31.700 0.049 0.000 0.864 361 A N 3.065 125.918 122.820 0.056 0.000 2.067 361 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 361 A C 1.369 178.986 177.584 0.057 0.000 1.158 361 A CA 1.841 53.918 52.037 0.067 0.000 0.661 361 A CB -1.087 17.932 19.000 0.033 0.000 0.801 361 A HN 0.673 nan 8.150 nan 0.000 0.452 362 D N -0.917 119.513 120.400 0.050 0.000 2.360 362 D HA 0.100 4.740 4.640 -0.000 0.000 0.210 362 D C 0.483 176.810 176.300 0.045 0.000 1.047 362 D CA 0.110 54.132 54.000 0.037 0.000 0.854 362 D CB -0.335 40.481 40.800 0.027 0.000 0.936 362 D HN 0.413 nan 8.370 nan 0.000 0.514 363 D N -0.278 120.170 120.400 0.080 0.000 2.449 363 D HA 0.157 4.797 4.640 -0.000 0.000 0.236 363 D C 1.540 177.858 176.300 0.031 0.000 1.149 363 D CA 0.461 54.521 54.000 0.100 0.000 0.878 363 D CB 1.078 42.028 40.800 0.250 0.000 1.198 363 D HN 0.098 nan 8.370 nan 0.000 0.446 364 A N 3.344 126.178 122.820 0.024 0.000 1.972 364 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 364 A C 1.809 179.350 177.584 -0.072 0.000 1.169 364 A CA 1.737 53.765 52.037 -0.014 0.000 0.635 364 A CB -0.633 18.368 19.000 0.002 0.000 0.810 364 A HN 0.775 nan 8.150 nan 0.000 0.446 365 N N -1.105 117.519 118.700 -0.126 0.000 2.250 365 N HA -0.081 4.659 4.740 -0.000 0.000 0.181 365 N C 1.605 176.830 175.510 -0.474 0.000 1.017 365 N CA 1.126 54.000 53.050 -0.293 0.000 0.866 365 N CB -0.592 37.679 38.487 -0.360 0.000 0.985 365 N HN 0.532 nan 8.380 nan 0.000 0.429 366 C N 0.725 119.723 119.300 -0.502 0.000 2.432 366 C HA 0.012 4.472 4.460 -0.000 0.000 0.277 366 C C 2.316 177.205 174.990 -0.169 0.000 1.249 366 C CA 0.495 59.296 59.018 -0.362 0.000 1.725 366 C CB -1.125 26.592 27.740 -0.038 0.000 2.028 366 C HN 0.339 nan 8.230 nan 0.000 0.477 367 I N 1.792 122.300 120.570 -0.104 0.000 2.208 367 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 367 I C 2.880 178.957 176.117 -0.067 0.000 1.097 367 I CA 1.966 63.230 61.300 -0.061 0.000 1.363 367 I CB -1.848 36.130 38.000 -0.036 0.000 1.051 367 I HN 0.416 nan 8.210 nan 0.000 0.413 368 A N 0.911 123.679 122.820 -0.087 0.000 2.019 368 A HA -0.148 4.171 4.320 -0.000 0.000 0.219 368 A C 2.201 179.750 177.584 -0.057 0.000 1.164 368 A CA 1.159 53.156 52.037 -0.067 0.000 0.644 368 A CB -0.453 18.504 19.000 -0.071 0.000 0.805 368 A HN 0.293 nan 8.150 nan 0.000 0.449 369 I N -0.030 120.484 120.570 -0.093 0.000 2.233 369 I HA -0.159 4.011 4.170 -0.000 0.000 0.243 369 I C 2.132 178.231 176.117 -0.030 0.000 1.093 369 I CA 1.297 62.567 61.300 -0.050 0.000 1.380 369 I CB -1.284 36.637 38.000 -0.132 0.000 1.067 369 I HN 0.352 nan 8.210 nan 0.000 0.413 370 K N 0.975 121.344 120.400 -0.051 0.000 2.103 370 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 370 K C 1.392 177.973 176.600 -0.031 0.000 1.048 370 K CA 1.240 57.503 56.287 -0.040 0.000 0.930 370 K CB -0.206 32.276 32.500 -0.029 0.000 0.716 370 K HN 0.370 nan 8.250 nan 0.000 0.444 371 N N 0.368 119.052 118.700 -0.026 0.000 2.336 371 N HA -0.036 4.704 4.740 -0.000 0.000 0.189 371 N C 0.352 175.851 175.510 -0.018 0.000 1.113 371 N CA 0.255 53.293 53.050 -0.021 0.000 0.858 371 N CB -0.053 38.423 38.487 -0.019 0.000 0.970 371 N HN 0.176 nan 8.380 nan 0.000 0.471 372 C N 2.293 121.587 119.300 -0.011 0.000 4.167 372 C HA -0.204 4.255 4.460 -0.000 0.000 0.302 372 C C -0.063 174.918 174.990 -0.015 0.000 1.384 372 C CA -0.527 58.488 59.018 -0.005 0.000 2.041 372 C CB -2.384 25.347 27.740 -0.016 0.000 1.303 372 C HN 0.344 nan 8.230 nan 0.000 0.718 373 D N 1.686 122.077 120.400 -0.015 0.000 2.338 373 D HA 0.251 4.891 4.640 -0.000 0.000 0.255 373 D C -0.347 175.942 176.300 -0.018 0.000 1.237 373 D CA -1.757 52.232 54.000 -0.019 0.000 0.883 373 D CB 1.127 41.914 40.800 -0.021 0.000 1.087 373 D HN 0.436 nan 8.370 nan 0.000 0.485 374 P HA -0.017 nan 4.420 nan 0.000 0.236 374 P C 0.490 177.779 177.300 -0.019 0.000 1.177 374 P CA 0.507 63.594 63.100 -0.022 0.000 0.773 374 P CB 0.493 32.178 31.700 -0.025 0.000 0.878 375 K N -0.666 119.723 120.400 -0.018 0.000 2.367 375 K HA 0.279 4.599 4.320 -0.000 0.000 0.194 375 K C 1.278 177.868 176.600 -0.016 0.000 1.027 375 K CA -0.194 56.083 56.287 -0.016 0.000 1.075 375 K CB 0.382 32.873 32.500 -0.015 0.000 0.845 375 K HN 0.066 nan 8.250 nan 0.000 0.529 376 A N 1.429 124.238 122.820 -0.018 0.000 2.251 376 A HA 0.108 4.428 4.320 -0.000 0.000 0.278 376 A C -0.085 177.489 177.584 -0.017 0.000 1.206 376 A CA -0.383 51.642 52.037 -0.019 0.000 0.822 376 A CB 0.190 19.174 19.000 -0.027 0.000 1.187 376 A HN 0.044 nan 8.150 nan 0.000 0.504 377 D N -0.680 119.709 120.400 -0.019 0.000 2.368 377 D HA 0.264 4.904 4.640 -0.000 0.000 0.240 377 D C -0.057 176.235 176.300 -0.013 0.000 1.169 377 D CA 0.020 54.011 54.000 -0.015 0.000 0.906 377 D CB 0.578 41.371 40.800 -0.012 0.000 1.187 377 D HN 0.309 nan 8.370 nan 0.000 0.435 378 L N 1.672 122.890 121.223 -0.008 0.000 2.416 378 L HA 0.132 4.471 4.340 -0.000 0.000 0.272 378 L C -0.427 176.452 176.870 0.015 0.000 1.161 378 L CA 0.451 55.293 54.840 0.002 0.000 0.845 378 L CB 0.215 42.273 42.059 -0.001 0.000 1.119 378 L HN 0.213 nan 8.230 nan 0.000 0.464 379 M N 7.623 127.249 119.600 0.043 0.000 1.962 379 M HA 0.304 4.784 4.480 -0.000 0.000 0.227 379 M C -1.239 175.165 176.300 0.172 0.000 0.890 379 M CA -0.087 55.264 55.300 0.085 0.000 0.843 379 M CB 0.840 33.469 32.600 0.047 0.000 1.894 379 M HN 0.547 nan 8.290 nan 0.000 0.359 380 L N 2.409 123.718 121.223 0.145 0.000 2.287 380 L HA 0.501 4.841 4.340 -0.000 0.000 0.287 380 L C -1.375 175.630 176.870 0.225 0.000 1.022 380 L CA -0.748 54.189 54.840 0.162 0.000 0.814 380 L CB 1.406 43.498 42.059 0.056 0.000 1.217 380 L HN 0.538 nan 8.230 nan 0.000 0.420 381 Y N 4.941 125.366 120.300 0.208 0.000 2.327 381 Y HA 0.374 4.924 4.550 -0.000 0.000 0.336 381 Y C -0.551 175.406 175.900 0.096 0.000 1.035 381 Y CA -0.351 57.859 58.100 0.183 0.000 1.165 381 Y CB 1.359 40.009 38.460 0.318 0.000 1.181 381 Y HN 0.287 nan 8.280 nan 0.000 0.494 382 V N 7.215 126.859 119.914 -0.450 0.000 2.353 382 V HA 0.042 4.162 4.120 -0.000 0.000 0.264 382 V C 0.906 176.680 176.094 -0.533 0.000 1.049 382 V CA 0.397 62.491 62.300 -0.343 0.000 0.896 382 V CB 0.718 32.438 31.823 -0.171 0.000 1.025 382 V HN 1.046 nan 8.190 nan 0.000 0.475 383 S N 4.583 120.152 115.700 -0.219 0.000 2.368 383 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 383 S C 0.688 175.362 174.600 0.125 0.000 1.029 383 S CA 1.479 59.710 58.200 0.051 0.000 0.988 383 S CB 0.025 63.416 63.200 0.319 0.000 0.838 383 S HN 0.895 nan 8.310 nan 0.000 0.462 384 K N -1.356 119.154 120.400 0.183 0.000 2.711 384 K HA 0.287 4.607 4.320 -0.000 0.000 0.294 384 K C -1.590 175.129 176.600 0.198 0.000 1.037 384 K CA -0.946 55.443 56.287 0.171 0.000 0.858 384 K CB 0.324 32.934 32.500 0.183 0.000 1.521 384 K HN -0.033 nan 8.250 nan 0.000 0.386 385 M N 2.374 122.082 119.600 0.181 0.000 2.157 385 M HA 0.305 4.784 4.480 -0.000 0.000 0.354 385 M C -0.613 175.852 176.300 0.275 0.000 1.170 385 M CA -0.906 54.542 55.300 0.246 0.000 1.060 385 M CB 1.057 33.795 32.600 0.230 0.000 1.615 385 M HN 0.559 nan 8.290 nan 0.000 0.460 386 V N 6.418 126.455 119.914 0.205 0.000 2.483 386 V HA 0.589 4.709 4.120 -0.000 0.000 0.295 386 V C -2.433 173.531 176.094 -0.216 0.000 1.035 386 V CA -2.114 60.199 62.300 0.021 0.000 0.896 386 V CB 2.095 33.898 31.823 -0.033 0.000 0.986 386 V HN 0.605 nan 8.190 nan 0.000 0.447 387 P HA 0.286 nan 4.420 nan 0.000 0.271 387 P C -0.591 176.355 177.300 -0.589 0.000 1.220 387 P CA 0.269 62.893 63.100 -0.794 0.000 0.768 387 P CB 0.603 31.977 31.700 -0.543 0.000 0.848 388 T N -1.744 112.414 114.554 -0.661 0.000 2.926 388 T HA 0.408 4.758 4.350 -0.000 0.000 0.289 388 T C 0.912 175.381 174.700 -0.385 0.000 1.054 388 T CA -0.413 61.356 62.100 -0.551 0.000 1.015 388 T CB 1.137 69.513 68.868 -0.819 0.000 1.167 388 T HN 0.199 nan 8.240 nan 0.000 0.526 389 S N -0.922 114.611 115.700 -0.279 0.000 2.575 389 S HA 0.091 4.561 4.470 -0.000 0.000 0.215 389 S C 0.512 175.037 174.600 -0.125 0.000 0.966 389 S CA -0.213 57.882 58.200 -0.175 0.000 0.911 389 S CB -0.377 62.747 63.200 -0.126 0.000 0.780 389 S HN 0.773 nan 8.310 nan 0.000 0.514 390 D N 3.337 123.651 120.400 -0.142 0.000 2.545 390 D HA 0.061 4.701 4.640 -0.000 0.000 0.227 390 D C -0.411 175.869 176.300 -0.034 0.000 1.150 390 D CA -0.011 53.958 54.000 -0.052 0.000 1.046 390 D CB -0.232 40.575 40.800 0.011 0.000 1.098 390 D HN -0.003 nan 8.370 nan 0.000 0.502 391 K N 1.956 122.337 120.400 -0.032 0.000 4.971 391 K HA -0.205 4.114 4.320 -0.000 0.000 0.296 391 K C 1.066 177.670 176.600 0.007 0.000 0.724 391 K CA 0.956 57.234 56.287 -0.014 0.000 0.844 391 K CB -1.728 30.773 32.500 0.001 0.000 1.993 391 K HN 0.763 nan 8.250 nan 0.000 0.384 392 G N 0.884 109.683 108.800 -0.002 0.000 2.166 392 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.260 392 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.260 392 G C -0.043 174.966 174.900 0.182 0.000 0.986 392 G CA 0.389 45.540 45.100 0.085 0.000 0.683 392 G HN 0.435 nan 8.290 nan 0.000 0.527 393 R N -0.541 120.007 120.500 0.080 0.000 2.368 393 R HA 0.611 4.950 4.340 -0.000 0.000 0.302 393 R C -0.461 175.894 176.300 0.092 0.000 1.002 393 R CA -0.606 55.601 56.100 0.178 0.000 0.929 393 R CB 0.570 30.973 30.300 0.171 0.000 1.073 393 R HN 0.181 nan 8.270 nan 0.000 0.464 394 F N 2.805 122.780 119.950 0.041 0.000 2.427 394 F HA 0.333 4.860 4.527 -0.000 0.000 0.346 394 F C 0.072 176.022 175.800 0.250 0.000 1.120 394 F CA -0.940 57.086 58.000 0.043 0.000 1.033 394 F CB 1.125 40.136 39.000 0.019 0.000 1.126 394 F HN 0.241 nan 8.300 nan 0.000 0.462 395 Y N 1.741 122.113 120.300 0.120 0.000 2.310 395 Y HA 0.553 5.102 4.550 -0.000 0.000 0.326 395 Y C 0.418 176.401 175.900 0.139 0.000 1.151 395 Y CA -2.193 55.970 58.100 0.105 0.000 1.195 395 Y CB 0.951 39.453 38.460 0.070 0.000 1.210 395 Y HN 0.580 nan 8.280 nan 0.000 0.483 396 A N 4.064 127.043 122.820 0.266 0.000 2.366 396 A HA 0.450 4.770 4.320 -0.000 0.000 0.272 396 A C -1.139 176.580 177.584 0.224 0.000 1.135 396 A CA -0.270 51.885 52.037 0.195 0.000 0.804 396 A CB -0.335 18.727 19.000 0.103 0.000 1.064 396 A HN 0.556 nan 8.150 nan 0.000 0.499 397 F N 2.626 122.623 119.950 0.079 0.000 2.469 397 F HA 0.711 5.238 4.527 -0.000 0.000 0.332 397 F C 0.415 176.245 175.800 0.050 0.000 1.103 397 F CA 0.376 58.417 58.000 0.068 0.000 0.979 397 F CB 1.600 40.643 39.000 0.071 0.000 1.137 397 F HN 0.873 nan 8.300 nan 0.000 0.463 398 G N 4.830 113.148 108.800 -0.804 0.000 2.494 398 G HA2 0.475 4.435 3.960 -0.000 0.000 0.308 398 G HA3 0.475 4.435 3.960 -0.000 0.000 0.308 398 G C -2.084 172.520 174.900 -0.494 0.000 1.263 398 G CA -1.166 43.610 45.100 -0.540 0.000 0.840 398 G HN 0.792 nan 8.290 nan 0.000 0.479 399 R N -0.484 119.883 120.500 -0.222 0.000 2.621 399 R HA 0.587 4.927 4.340 -0.000 0.000 0.284 399 R C -1.418 174.718 176.300 -0.273 0.000 0.998 399 R CA -0.552 55.357 56.100 -0.318 0.000 0.895 399 R CB 2.230 32.246 30.300 -0.474 0.000 1.195 399 R HN 0.408 nan 8.270 nan 0.000 0.450 400 V N 6.211 125.962 119.914 -0.272 0.000 2.405 400 V HA 0.177 4.297 4.120 -0.000 0.000 0.264 400 V C 0.328 176.274 176.094 -0.245 0.000 1.048 400 V CA 0.179 62.386 62.300 -0.154 0.000 0.966 400 V CB 0.572 32.331 31.823 -0.107 0.000 1.015 400 V HN 0.772 nan 8.190 nan 0.000 0.477 401 F N 2.735 122.672 119.950 -0.021 0.000 2.530 401 F HA 0.512 5.038 4.527 -0.000 0.000 0.292 401 F C 1.237 177.005 175.800 -0.054 0.000 1.109 401 F CA 0.812 58.789 58.000 -0.039 0.000 1.450 401 F CB 0.315 39.292 39.000 -0.038 0.000 1.114 401 F HN 0.568 nan 8.300 nan 0.000 0.560 402 A N -0.905 121.984 122.820 0.115 0.000 2.572 402 A HA 0.664 4.984 4.320 -0.000 0.000 0.295 402 A C 0.257 177.847 177.584 0.011 0.000 1.072 402 A CA -0.248 51.810 52.037 0.036 0.000 0.691 402 A CB 0.517 19.521 19.000 0.006 0.000 1.291 402 A HN 0.645 nan 8.150 nan 0.000 0.404 403 G N -0.122 108.674 108.800 -0.007 0.000 2.598 403 G HA2 0.390 4.350 3.960 -0.000 0.000 0.244 403 G HA3 0.390 4.350 3.960 -0.000 0.000 0.244 403 G C 0.208 175.098 174.900 -0.017 0.000 1.302 403 G CA 0.522 45.615 45.100 -0.012 0.000 0.903 403 G HN 2.897 nan 8.290 nan 0.000 0.575 404 T N -3.801 110.743 114.554 -0.018 0.000 2.993 404 T HA 0.638 4.987 4.350 -0.000 0.000 0.312 404 T C -0.578 174.109 174.700 -0.020 0.000 1.115 404 T CA 0.243 62.330 62.100 -0.023 0.000 1.027 404 T CB 1.758 70.612 68.868 -0.023 0.000 1.116 404 T HN 2.050 nan 8.240 nan 0.000 0.464 405 V N 3.160 123.060 119.914 -0.023 0.000 2.567 405 V HA 0.712 4.832 4.120 -0.000 0.000 0.289 405 V C -0.635 175.447 176.094 -0.021 0.000 1.049 405 V CA -0.299 61.989 62.300 -0.021 0.000 0.969 405 V CB 1.113 32.922 31.823 -0.023 0.000 0.995 405 V HN 1.024 nan 8.190 nan 0.000 0.471 406 K N 3.742 124.131 120.400 -0.018 0.000 2.385 406 K HA 0.543 4.863 4.320 -0.000 0.000 0.248 406 K C -0.659 175.931 176.600 -0.017 0.000 0.955 406 K CA -0.622 55.654 56.287 -0.017 0.000 0.816 406 K CB 2.025 34.516 32.500 -0.015 0.000 1.250 406 K HN 0.575 nan 8.250 nan 0.000 0.434 407 S N 0.608 116.298 115.700 -0.017 0.000 2.533 407 S HA 0.282 4.751 4.470 -0.000 0.000 0.282 407 S C 1.053 175.645 174.600 -0.014 0.000 1.304 407 S CA 0.657 58.846 58.200 -0.018 0.000 1.063 407 S CB 0.608 63.798 63.200 -0.017 0.000 0.881 407 S HN 0.945 nan 8.310 nan 0.000 0.493 408 G N 2.070 110.863 108.800 -0.012 0.000 2.143 408 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 408 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 408 G C -0.026 174.869 174.900 -0.008 0.000 0.991 408 G CA 0.345 45.441 45.100 -0.008 0.000 0.689 408 G HN 0.738 nan 8.290 nan 0.000 0.522 409 Q N 0.320 120.114 119.800 -0.011 0.000 2.288 409 Q HA 0.449 4.788 4.340 -0.000 0.000 0.254 409 Q C 0.155 176.146 176.000 -0.015 0.000 0.932 409 Q CA -0.407 55.388 55.803 -0.013 0.000 0.902 409 Q CB 0.418 29.147 28.738 -0.015 0.000 1.203 409 Q HN 0.341 nan 8.270 nan 0.000 0.415 410 K N 2.796 123.186 120.400 -0.016 0.000 2.316 410 K HA 0.292 4.612 4.320 -0.000 0.000 0.289 410 K C -0.964 175.620 176.600 -0.027 0.000 1.070 410 K CA -0.282 55.992 56.287 -0.022 0.000 0.928 410 K CB 0.971 33.459 32.500 -0.020 0.000 1.039 410 K HN 0.384 nan 8.250 nan 0.000 0.480 411 V N 2.961 122.853 119.914 -0.036 0.000 3.141 411 V HA 0.447 4.566 4.120 -0.000 0.000 0.312 411 V C -0.469 175.590 176.094 -0.058 0.000 1.157 411 V CA -1.246 61.030 62.300 -0.039 0.000 1.041 411 V CB 2.187 33.992 31.823 -0.030 0.000 1.071 411 V HN 0.662 nan 8.190 nan 0.000 0.441 412 R N 1.440 121.901 120.500 -0.066 0.000 2.275 412 R HA 0.580 4.920 4.340 -0.000 0.000 0.326 412 R C -0.920 175.316 176.300 -0.106 0.000 0.973 412 R CA -0.290 55.752 56.100 -0.096 0.000 0.854 412 R CB 0.973 31.203 30.300 -0.116 0.000 1.156 412 R HN 0.571 nan 8.270 nan 0.000 0.487 413 I N 4.019 124.551 120.570 -0.063 0.000 2.363 413 I HA 0.025 4.195 4.170 -0.000 0.000 0.292 413 I C 0.206 176.330 176.117 0.012 0.000 1.075 413 I CA 0.174 61.477 61.300 0.006 0.000 1.333 413 I CB 0.607 38.658 38.000 0.085 0.000 1.415 413 I HN 0.391 nan 8.210 nan 0.000 0.502 414 Q N 5.858 125.610 119.800 -0.080 0.000 2.394 414 Q HA 0.411 4.751 4.340 -0.000 0.000 0.259 414 Q C 0.457 176.501 176.000 0.074 0.000 1.021 414 Q CA -0.593 55.123 55.803 -0.144 0.000 0.805 414 Q CB 1.962 30.366 28.738 -0.557 0.000 1.226 414 Q HN 0.801 nan 8.270 nan 0.000 0.476 415 G N 2.642 111.568 108.800 0.210 0.000 2.527 415 G HA2 0.044 4.004 3.960 -0.000 0.000 0.279 415 G HA3 0.044 4.004 3.960 -0.000 0.000 0.279 415 G C -1.673 173.345 174.900 0.196 0.000 1.374 415 G CA -0.845 44.384 45.100 0.216 0.000 1.053 415 G HN 0.388 nan 8.290 nan 0.000 0.539 416 P HA 0.016 nan 4.420 nan 0.000 0.226 416 P C 0.969 178.396 177.300 0.211 0.000 1.153 416 P CA 0.790 64.017 63.100 0.212 0.000 0.777 416 P CB 0.268 32.135 31.700 0.278 0.000 0.794 417 N N -2.452 116.371 118.700 0.204 0.000 2.187 417 N HA 0.026 4.766 4.740 -0.000 0.000 0.212 417 N C -0.022 175.564 175.510 0.126 0.000 1.152 417 N CA -0.255 52.890 53.050 0.158 0.000 0.872 417 N CB 0.087 38.656 38.487 0.138 0.000 1.025 417 N HN 0.198 nan 8.380 nan 0.000 0.514 418 Y N 1.746 122.068 120.300 0.037 0.000 2.497 418 Y HA 0.182 4.732 4.550 -0.000 0.000 0.334 418 Y C -0.199 175.683 175.900 -0.030 0.000 1.199 418 Y CA 0.109 58.205 58.100 -0.007 0.000 1.425 418 Y CB 0.645 39.102 38.460 -0.005 0.000 1.291 418 Y HN -0.288 nan 8.280 nan 0.000 0.562 419 V N 8.606 128.088 119.914 -0.721 0.000 2.686 419 V HA 0.210 4.330 4.120 -0.000 0.000 0.306 419 V C -1.887 173.706 176.094 -0.834 0.000 1.065 419 V CA -1.665 60.337 62.300 -0.496 0.000 0.894 419 V CB 1.911 33.568 31.823 -0.278 0.000 1.004 419 V HN 0.675 nan 8.190 nan 0.000 0.424 420 P HA -0.187 nan 4.420 nan 0.000 0.218 420 P C 1.420 178.578 177.300 -0.237 0.000 1.147 420 P CA 1.871 64.836 63.100 -0.224 0.000 0.827 420 P CB 0.320 31.878 31.700 -0.238 0.000 0.778 421 G N -1.392 107.254 108.800 -0.257 0.000 2.441 421 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.212 421 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.212 421 G C 0.533 175.310 174.900 -0.205 0.000 1.164 421 G CA 0.191 45.184 45.100 -0.179 0.000 0.811 421 G HN 0.266 nan 8.290 nan 0.000 0.535 422 K N 0.271 120.498 120.400 -0.288 0.000 2.109 422 K HA 0.358 4.678 4.320 -0.000 0.000 0.243 422 K C 0.149 176.558 176.600 -0.318 0.000 1.006 422 K CA -0.506 55.629 56.287 -0.254 0.000 0.917 422 K CB 1.086 33.454 32.500 -0.220 0.000 1.081 422 K HN 0.101 nan 8.250 nan 0.000 0.468 423 K N 0.537 120.812 120.400 -0.209 0.000 2.570 423 K HA 0.062 4.382 4.320 -0.000 0.000 0.210 423 K C -0.766 175.729 176.600 -0.176 0.000 1.048 423 K CA -0.360 55.823 56.287 -0.174 0.000 1.167 423 K CB -0.279 32.150 32.500 -0.118 0.000 0.892 423 K HN 0.490 nan 8.250 nan 0.000 0.480 424 D N 0.871 121.155 120.400 -0.193 0.000 2.341 424 D HA 0.025 4.665 4.640 -0.000 0.000 0.245 424 D C 0.311 176.577 176.300 -0.057 0.000 1.106 424 D CA -0.249 53.678 54.000 -0.123 0.000 0.905 424 D CB 0.651 41.395 40.800 -0.095 0.000 1.202 424 D HN 0.031 nan 8.370 nan 0.000 0.426 425 D N -1.245 119.123 120.400 -0.054 0.000 2.979 425 D HA -0.217 4.423 4.640 -0.000 0.000 0.208 425 D C 0.142 176.345 176.300 -0.161 0.000 1.122 425 D CA 0.653 54.681 54.000 0.046 0.000 0.992 425 D CB -0.503 40.436 40.800 0.232 0.000 1.117 425 D HN 0.428 nan 8.370 nan 0.000 0.397 426 L N 0.270 121.352 121.223 -0.236 0.000 2.416 426 L HA 0.368 4.707 4.340 -0.000 0.000 0.272 426 L C -0.689 175.725 176.870 -0.760 0.000 1.161 426 L CA 0.414 55.126 54.840 -0.213 0.000 0.845 426 L CB 0.178 42.271 42.059 0.057 0.000 1.119 426 L HN -0.084 nan 8.230 nan 0.000 0.464 427 F N 5.893 125.791 119.950 -0.087 0.000 2.915 427 F HA 0.426 4.953 4.527 -0.000 0.000 0.350 427 F C -0.326 175.274 175.800 -0.333 0.000 1.248 427 F CA -0.513 57.330 58.000 -0.262 0.000 1.084 427 F CB 0.926 39.687 39.000 -0.399 0.000 1.391 427 F HN 0.234 nan 8.300 nan 0.000 0.548 428 I N 3.942 124.431 120.570 -0.136 0.000 2.342 428 I HA 0.496 4.665 4.170 -0.000 0.000 0.291 428 I C -0.247 175.755 176.117 -0.193 0.000 1.010 428 I CA -0.442 60.778 61.300 -0.134 0.000 1.308 428 I CB 1.614 39.566 38.000 -0.081 0.000 1.400 428 I HN 0.440 nan 8.210 nan 0.000 0.488 429 K N 4.139 124.433 120.400 -0.177 0.000 2.597 429 K HA 0.683 5.003 4.320 -0.000 0.000 0.282 429 K C -1.325 175.241 176.600 -0.058 0.000 0.975 429 K CA -0.495 55.708 56.287 -0.139 0.000 0.867 429 K CB 1.915 34.257 32.500 -0.264 0.000 1.465 429 K HN 0.584 nan 8.250 nan 0.000 0.417 430 A N 2.716 125.528 122.820 -0.013 0.000 2.340 430 A HA 0.567 4.887 4.320 -0.000 0.000 0.268 430 A C -0.296 177.295 177.584 0.011 0.000 1.100 430 A CA -0.422 51.614 52.037 -0.003 0.000 0.803 430 A CB -0.054 18.949 19.000 0.004 0.000 1.043 430 A HN 0.606 nan 8.150 nan 0.000 0.488 431 I N 2.334 122.905 120.570 0.001 0.000 2.337 431 I HA 0.028 4.198 4.170 -0.000 0.000 0.291 431 I C 1.218 177.330 176.117 -0.008 0.000 1.046 431 I CA 0.044 61.344 61.300 -0.000 0.000 1.324 431 I CB 1.142 39.135 38.000 -0.012 0.000 1.409 431 I HN 0.890 nan 8.210 nan 0.000 0.494 432 Q N 4.211 124.005 119.800 -0.011 0.000 2.084 432 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 432 Q C 0.478 176.455 176.000 -0.039 0.000 0.978 432 Q CA 1.316 57.107 55.803 -0.020 0.000 0.844 432 Q CB 0.172 28.896 28.738 -0.023 0.000 0.898 432 Q HN 0.464 nan 8.270 nan 0.000 0.426 433 R N -1.065 119.396 120.500 -0.066 0.000 2.594 433 R HA 0.349 4.689 4.340 -0.000 0.000 0.265 433 R C -2.089 174.163 176.300 -0.080 0.000 1.070 433 R CA -0.278 55.780 56.100 -0.069 0.000 0.909 433 R CB 2.022 32.271 30.300 -0.085 0.000 1.243 433 R HN -0.144 nan 8.270 nan 0.000 0.455 434 V N 4.616 124.500 119.914 -0.050 0.000 2.370 434 V HA 0.568 4.688 4.120 -0.000 0.000 0.283 434 V C -0.421 175.660 176.094 -0.021 0.000 1.023 434 V CA -0.552 61.725 62.300 -0.037 0.000 0.857 434 V CB 1.475 33.283 31.823 -0.024 0.000 0.985 434 V HN 0.583 nan 8.190 nan 0.000 0.443 435 V N 3.983 123.891 119.914 -0.009 0.000 2.769 435 V HA 0.661 4.780 4.120 -0.000 0.000 0.312 435 V C -0.485 175.652 176.094 0.071 0.000 1.061 435 V CA -1.000 61.321 62.300 0.034 0.000 0.931 435 V CB 1.948 33.801 31.823 0.049 0.000 1.010 435 V HN 0.618 nan 8.190 nan 0.000 0.433 436 L N 4.631 125.904 121.223 0.083 0.000 2.331 436 L HA 0.430 4.770 4.340 -0.000 0.000 0.278 436 L C 0.189 177.143 176.870 0.140 0.000 1.106 436 L CA -0.246 54.655 54.840 0.101 0.000 0.824 436 L CB 1.193 43.307 42.059 0.091 0.000 1.142 436 L HN 0.552 nan 8.230 nan 0.000 0.443 437 M N 5.794 125.495 119.600 0.168 0.000 2.261 437 M HA 0.306 4.786 4.480 -0.000 0.000 0.349 437 M C -0.560 175.824 176.300 0.141 0.000 1.305 437 M CA 0.238 55.644 55.300 0.177 0.000 1.240 437 M CB 0.612 33.365 32.600 0.255 0.000 1.394 437 M HN 0.521 nan 8.290 nan 0.000 0.438 438 M N 2.542 122.223 119.600 0.136 0.000 2.268 438 M HA 0.385 4.865 4.480 -0.000 0.000 0.340 438 M C 0.966 177.337 176.300 0.118 0.000 1.099 438 M CA -0.182 55.199 55.300 0.135 0.000 1.053 438 M CB 0.506 33.203 32.600 0.163 0.000 1.284 438 M HN 0.926 nan 8.290 nan 0.000 0.410 439 G N 3.237 112.060 108.800 0.038 0.000 2.543 439 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.286 439 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.286 439 G C 0.590 175.395 174.900 -0.157 0.000 1.153 439 G CA 0.069 45.147 45.100 -0.036 0.000 0.968 439 G HN 0.693 nan 8.290 nan 0.000 0.544 440 R N -0.070 120.206 120.500 -0.373 0.000 2.317 440 R HA 0.344 4.684 4.340 -0.000 0.000 0.208 440 R C 0.177 176.037 176.300 -0.733 0.000 0.914 440 R CA 0.260 55.989 56.100 -0.619 0.000 1.060 440 R CB 0.053 29.853 30.300 -0.833 0.000 1.015 440 R HN 0.247 nan 8.270 nan 0.000 0.498 441 F N -0.146 119.799 119.950 -0.008 0.000 2.557 441 F HA 0.444 4.971 4.527 -0.000 0.000 0.336 441 F C 0.413 176.239 175.800 0.043 0.000 1.058 441 F CA -1.467 56.539 58.000 0.011 0.000 0.988 441 F CB 1.034 40.041 39.000 0.012 0.000 1.275 441 F HN -0.349 nan 8.300 nan 0.000 0.488 442 V N -1.209 118.873 119.914 0.280 0.000 3.001 442 V HA 0.883 5.003 4.120 -0.000 0.000 0.314 442 V C -1.483 174.710 176.094 0.164 0.000 1.099 442 V CA -0.845 61.580 62.300 0.209 0.000 0.989 442 V CB 1.936 33.903 31.823 0.241 0.000 1.040 442 V HN 0.719 nan 8.190 nan 0.000 0.434 443 E N 2.375 122.649 120.200 0.123 0.000 2.343 443 E HA 0.586 4.935 4.350 -0.000 0.000 0.260 443 E C -3.044 173.591 176.600 0.059 0.000 0.908 443 E CA -2.025 54.424 56.400 0.082 0.000 0.814 443 E CB 2.180 31.924 29.700 0.073 0.000 1.302 443 E HN 0.643 nan 8.360 nan 0.000 0.408 444 P HA 0.127 nan 4.420 nan 0.000 0.265 444 P C -0.612 176.698 177.300 0.016 0.000 1.187 444 P CA 0.280 63.393 63.100 0.022 0.000 0.766 444 P CB 0.499 32.209 31.700 0.016 0.000 0.820 445 I N 1.745 122.320 120.570 0.007 0.000 2.994 445 I HA 0.216 4.386 4.170 -0.000 0.000 0.306 445 I C 0.495 176.609 176.117 -0.005 0.000 1.195 445 I CA -0.707 60.595 61.300 0.003 0.000 1.001 445 I CB 2.437 40.441 38.000 0.007 0.000 1.244 445 I HN 0.208 nan 8.210 nan 0.000 0.437 446 D N 2.105 122.501 120.400 -0.008 0.000 2.120 446 D HA 0.000 4.640 4.640 -0.000 0.000 0.202 446 D C -0.483 175.809 176.300 -0.014 0.000 0.972 446 D CA 1.356 55.349 54.000 -0.011 0.000 0.837 446 D CB 0.117 40.910 40.800 -0.011 0.000 0.989 446 D HN 0.690 nan 8.370 nan 0.000 0.469 447 D N -1.804 118.587 120.400 -0.015 0.000 2.664 447 D HA 0.402 5.042 4.640 -0.000 0.000 0.292 447 D C -1.194 175.093 176.300 -0.020 0.000 1.214 447 D CA -0.913 53.076 54.000 -0.018 0.000 0.932 447 D CB 1.838 42.627 40.800 -0.019 0.000 1.420 447 D HN 0.013 nan 8.370 nan 0.000 0.471 448 C N 1.371 120.656 119.300 -0.025 0.000 2.817 448 C HA 0.614 5.073 4.460 -0.000 0.000 0.385 448 C C -2.878 172.089 174.990 -0.037 0.000 1.050 448 C CA -0.893 58.107 59.018 -0.031 0.000 1.245 448 C CB 1.005 28.725 27.740 -0.033 0.000 1.706 448 C HN 0.577 nan 8.230 nan 0.000 0.488 449 P HA 0.386 nan 4.420 nan 0.000 0.278 449 P C -0.256 177.010 177.300 -0.056 0.000 1.266 449 P CA 0.050 63.126 63.100 -0.041 0.000 0.807 449 P CB 0.897 32.575 31.700 -0.037 0.000 1.094 450 A N 0.294 123.083 122.820 -0.051 0.000 2.565 450 A HA 0.373 4.693 4.320 -0.000 0.000 0.237 450 A C 1.424 178.955 177.584 -0.089 0.000 1.053 450 A CA 1.106 53.103 52.037 -0.066 0.000 0.755 450 A CB -1.664 17.315 19.000 -0.035 0.000 0.980 450 A HN 0.906 nan 8.150 nan 0.000 0.506 451 G N 1.888 110.598 108.800 -0.150 0.000 2.218 451 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.216 451 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.216 451 G C 0.108 174.911 174.900 -0.162 0.000 0.994 451 G CA 0.123 45.131 45.100 -0.154 0.000 0.637 451 G HN 0.826 nan 8.290 nan 0.000 0.505 452 N N 0.009 118.617 118.700 -0.154 0.000 2.443 452 N HA 0.662 5.401 4.740 -0.000 0.000 0.293 452 N C -0.578 174.835 175.510 -0.161 0.000 1.159 452 N CA -0.418 52.559 53.050 -0.121 0.000 0.904 452 N CB 1.644 40.088 38.487 -0.072 0.000 1.214 452 N HN 0.088 nan 8.380 nan 0.000 0.513 453 I N 1.225 121.727 120.570 -0.113 0.000 2.499 453 I HA 0.399 4.569 4.170 -0.000 0.000 0.296 453 I C 0.071 176.129 176.117 -0.098 0.000 0.992 453 I CA -0.142 61.070 61.300 -0.147 0.000 1.297 453 I CB 0.838 38.818 38.000 -0.034 0.000 1.410 453 I HN 0.439 nan 8.210 nan 0.000 0.507 454 I N 2.687 123.160 120.570 -0.162 0.000 2.961 454 I HA 0.654 4.824 4.170 -0.000 0.000 0.303 454 I C -0.877 175.223 176.117 -0.028 0.000 1.505 454 I CA -0.177 61.092 61.300 -0.051 0.000 0.964 454 I CB 2.142 40.108 38.000 -0.057 0.000 1.348 454 I HN 0.508 nan 8.210 nan 0.000 0.508 455 G N 4.482 113.323 108.800 0.068 0.000 2.461 455 G HA2 0.695 4.655 3.960 -0.000 0.000 0.323 455 G HA3 0.695 4.655 3.960 -0.000 0.000 0.323 455 G C -1.788 173.130 174.900 0.030 0.000 1.229 455 G CA -0.570 44.602 45.100 0.120 0.000 0.941 455 G HN 0.565 nan 8.290 nan 0.000 0.477 456 L N 1.993 123.226 121.223 0.015 0.000 2.341 456 L HA 0.602 4.942 4.340 -0.000 0.000 0.278 456 L C -0.064 176.722 176.870 -0.140 0.000 1.005 456 L CA -1.235 53.575 54.840 -0.051 0.000 0.818 456 L CB 1.965 44.015 42.059 -0.016 0.000 1.259 456 L HN 0.375 nan 8.230 nan 0.000 0.418 457 V N 2.439 122.191 119.914 -0.270 0.000 2.483 457 V HA 0.852 4.972 4.120 -0.000 0.000 0.295 457 V C 0.682 176.682 176.094 -0.156 0.000 1.035 457 V CA 0.786 62.831 62.300 -0.424 0.000 0.896 457 V CB 1.192 32.564 31.823 -0.752 0.000 0.986 457 V HN 0.978 nan 8.190 nan 0.000 0.447 458 G N 5.248 114.012 108.800 -0.061 0.000 2.184 458 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.206 458 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.206 458 G C 0.280 175.229 174.900 0.082 0.000 0.995 458 G CA 0.154 45.266 45.100 0.019 0.000 0.651 458 G HN 0.786 nan 8.290 nan 0.000 0.511 459 I N 1.630 122.248 120.570 0.080 0.000 3.728 459 I HA 0.142 4.312 4.170 -0.000 0.000 0.307 459 I C 1.990 178.133 176.117 0.043 0.000 1.276 459 I CA 0.923 62.303 61.300 0.132 0.000 1.285 459 I CB -0.800 37.262 38.000 0.103 0.000 1.038 459 I HN 0.082 nan 8.210 nan 0.000 0.445 460 D N 2.274 122.679 120.400 0.009 0.000 2.355 460 D HA -0.302 4.338 4.640 -0.000 0.000 0.192 460 D C 2.210 178.383 176.300 -0.211 0.000 1.014 460 D CA 2.065 56.039 54.000 -0.044 0.000 0.862 460 D CB -0.480 40.321 40.800 0.001 0.000 0.986 460 D HN 0.421 nan 8.370 nan 0.000 0.456 461 Q N 0.291 119.848 119.800 -0.404 0.000 2.135 461 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 461 Q C 2.130 177.711 176.000 -0.699 0.000 0.981 461 Q CA 1.385 56.820 55.803 -0.613 0.000 0.856 461 Q CB -0.863 27.353 28.738 -0.870 0.000 0.902 461 Q HN 0.416 nan 8.270 nan 0.000 0.425 462 F N 0.202 119.940 119.950 -0.354 0.000 2.416 462 F HA 0.251 4.778 4.527 -0.000 0.000 0.296 462 F C 0.876 176.442 175.800 -0.391 0.000 1.099 462 F CA -0.020 57.591 58.000 -0.648 0.000 1.427 462 F CB 0.085 38.731 39.000 -0.589 0.000 1.079 462 F HN 0.000 nan 8.300 nan 0.000 0.536 463 L N 0.176 121.361 121.223 -0.064 0.000 2.408 463 L HA 0.562 4.902 4.340 -0.000 0.000 0.268 463 L C -1.133 175.706 176.870 -0.052 0.000 0.986 463 L CA -0.673 54.157 54.840 -0.017 0.000 0.820 463 L CB 1.980 44.060 42.059 0.036 0.000 1.303 463 L HN -0.140 nan 8.230 nan 0.000 0.411 464 L N 5.799 126.996 121.223 -0.044 0.000 2.415 464 L HA 0.533 4.873 4.340 -0.000 0.000 0.268 464 L C 0.047 176.905 176.870 -0.019 0.000 0.984 464 L CA -0.596 54.203 54.840 -0.070 0.000 0.853 464 L CB 1.371 43.364 42.059 -0.111 0.000 1.215 464 L HN 0.724 nan 8.230 nan 0.000 0.419 465 K N 0.005 120.407 120.400 0.003 0.000 5.647 465 K HA -0.148 4.172 4.320 -0.000 0.000 0.463 465 K C 0.002 176.612 176.600 0.017 0.000 1.759 465 K CA 0.935 57.242 56.287 0.034 0.000 0.955 465 K CB -0.742 31.785 32.500 0.045 0.000 1.358 465 K HN 0.751 nan 8.250 nan 0.000 0.433 466 T N -0.403 114.162 114.554 0.019 0.000 2.860 466 T HA 0.554 4.904 4.350 -0.000 0.000 0.299 466 T C 0.588 175.258 174.700 -0.051 0.000 1.045 466 T CA 0.262 62.321 62.100 -0.068 0.000 1.071 466 T CB 1.444 70.310 68.868 -0.003 0.000 0.985 466 T HN 0.869 nan 8.240 nan 0.000 0.537 467 G N -0.146 108.564 108.800 -0.150 0.000 2.490 467 G HA2 0.580 4.539 3.960 -0.000 0.000 0.308 467 G HA3 0.580 4.539 3.960 -0.000 0.000 0.308 467 G C -1.369 173.502 174.900 -0.048 0.000 1.286 467 G CA -0.799 44.277 45.100 -0.040 0.000 0.825 467 G HN 0.887 nan 8.290 nan 0.000 0.479 468 T N 0.566 115.128 114.554 0.015 0.000 3.548 468 T HA 0.446 4.796 4.350 -0.000 0.000 0.329 468 T C -1.255 173.451 174.700 0.010 0.000 0.960 468 T CA -0.356 61.778 62.100 0.056 0.000 1.041 468 T CB 1.292 70.228 68.868 0.113 0.000 1.065 468 T HN 0.391 nan 8.240 nan 0.000 0.459 469 L N 3.998 125.235 121.223 0.024 0.000 2.292 469 L HA 0.759 5.099 4.340 -0.000 0.000 0.284 469 L C 0.881 177.751 176.870 0.000 0.000 1.065 469 L CA 0.097 54.935 54.840 -0.003 0.000 0.806 469 L CB 1.295 43.356 42.059 0.003 0.000 1.175 469 L HN 0.881 nan 8.230 nan 0.000 0.431 470 T N -2.132 112.402 114.554 -0.034 0.000 2.883 470 T HA 0.414 4.764 4.350 -0.000 0.000 0.296 470 T C 0.113 174.793 174.700 -0.033 0.000 1.117 470 T CA -0.514 61.571 62.100 -0.025 0.000 1.006 470 T CB 1.744 70.592 68.868 -0.033 0.000 1.191 470 T HN 0.299 nan 8.240 nan 0.000 0.508 471 T N 0.692 115.234 114.554 -0.020 0.000 3.200 471 T HA 0.438 4.788 4.350 -0.000 0.000 0.284 471 T C -0.151 174.541 174.700 -0.014 0.000 1.009 471 T CA -0.158 61.930 62.100 -0.020 0.000 0.907 471 T CB -0.368 68.491 68.868 -0.015 0.000 1.120 471 T HN 0.823 nan 8.240 nan 0.000 0.534 472 S N 0.247 115.941 115.700 -0.010 0.000 2.561 472 S HA 0.401 4.871 4.470 -0.000 0.000 0.303 472 S C 0.713 175.319 174.600 0.009 0.000 1.110 472 S CA -0.567 57.635 58.200 0.004 0.000 1.034 472 S CB 1.816 65.024 63.200 0.014 0.000 1.010 472 S HN 0.394 nan 8.310 nan 0.000 0.482 473 E N 2.658 122.868 120.200 0.016 0.000 2.338 473 E HA -0.079 4.271 4.350 -0.000 0.000 0.197 473 E C 0.908 177.537 176.600 0.049 0.000 1.007 473 E CA 1.180 57.598 56.400 0.030 0.000 0.849 473 E CB 0.144 29.857 29.700 0.022 0.000 0.774 473 E HN 0.762 nan 8.360 nan 0.000 0.506 474 T N 0.308 114.891 114.554 0.049 0.000 3.035 474 T HA 0.169 4.519 4.350 -0.000 0.000 0.259 474 T C 0.533 175.294 174.700 0.103 0.000 1.078 474 T CA 0.414 62.554 62.100 0.068 0.000 1.132 474 T CB 0.092 69.004 68.868 0.074 0.000 0.900 474 T HN 0.230 nan 8.240 nan 0.000 0.480 475 A N 1.863 124.745 122.820 0.102 0.000 2.591 475 A HA 0.042 4.362 4.320 -0.000 0.000 0.244 475 A C -0.030 177.663 177.584 0.183 0.000 1.031 475 A CA 0.492 52.625 52.037 0.161 0.000 0.767 475 A CB -0.383 18.664 19.000 0.078 0.000 0.942 475 A HN 0.584 nan 8.150 nan 0.000 0.514 476 H N 1.606 120.857 119.070 0.301 0.000 2.495 476 H HA 0.269 4.824 4.556 -0.000 0.000 0.350 476 H C 0.676 176.096 175.328 0.152 0.000 1.202 476 H CA -0.111 56.017 56.048 0.134 0.000 1.322 476 H CB 0.648 30.285 29.762 -0.208 0.000 1.544 476 H HN 0.793 nan 8.280 nan 0.000 0.565 477 N N 1.703 120.542 118.700 0.232 0.000 2.530 477 N HA 0.063 4.803 4.740 -0.000 0.000 0.273 477 N C -0.593 175.004 175.510 0.146 0.000 1.173 477 N CA -0.041 53.115 53.050 0.177 0.000 0.967 477 N CB 0.728 39.320 38.487 0.175 0.000 1.109 477 N HN 0.444 nan 8.380 nan 0.000 0.453 478 M N 1.478 121.197 119.600 0.198 0.000 2.242 478 M HA 0.076 4.556 4.480 -0.000 0.000 0.344 478 M C 0.750 177.106 176.300 0.094 0.000 1.140 478 M CA -0.130 55.259 55.300 0.149 0.000 1.160 478 M CB 0.577 33.263 32.600 0.143 0.000 1.491 478 M HN 0.345 nan 8.290 nan 0.000 0.459 479 K N 2.618 123.010 120.400 -0.013 0.000 2.356 479 K HA -0.071 4.249 4.320 -0.000 0.000 0.252 479 K C -0.851 175.792 176.600 0.072 0.000 1.187 479 K CA -0.061 56.215 56.287 -0.018 0.000 1.227 479 K CB -0.253 32.200 32.500 -0.077 0.000 0.758 479 K HN 0.512 nan 8.250 nan 0.000 0.510 480 V N 2.536 122.487 119.914 0.061 0.000 2.743 480 V HA 0.370 4.489 4.120 -0.000 0.000 0.301 480 V C 0.515 176.631 176.094 0.037 0.000 1.057 480 V CA -1.214 61.140 62.300 0.089 0.000 1.006 480 V CB 1.511 33.366 31.823 0.053 0.000 1.024 480 V HN 0.548 nan 8.190 nan 0.000 0.473 481 M N 2.760 122.408 119.600 0.081 0.000 2.219 481 M HA 0.310 4.789 4.480 -0.000 0.000 0.353 481 M C 0.092 176.324 176.300 -0.114 0.000 1.304 481 M CA 0.392 55.734 55.300 0.071 0.000 1.115 481 M CB 0.068 32.774 32.600 0.176 0.000 1.664 481 M HN 0.717 nan 8.290 nan 0.000 0.459 482 K N 4.186 124.538 120.400 -0.081 0.000 2.276 482 K HA 0.446 4.766 4.320 -0.000 0.000 0.285 482 K C -0.867 175.646 176.600 -0.145 0.000 1.062 482 K CA -0.158 55.942 56.287 -0.311 0.000 0.918 482 K CB 0.421 32.852 32.500 -0.115 0.000 1.055 482 K HN 0.391 nan 8.250 nan 0.000 0.477 483 F N -0.823 119.042 119.950 -0.141 0.000 2.546 483 F HA 0.436 4.963 4.527 -0.000 0.000 0.320 483 F C 0.325 176.010 175.800 -0.192 0.000 1.076 483 F CA -1.675 56.308 58.000 -0.028 0.000 0.928 483 F CB 0.958 39.957 39.000 -0.002 0.000 1.189 483 F HN 0.288 nan 8.300 nan 0.000 0.465 484 S N 0.431 116.328 115.700 0.329 0.000 2.568 484 S HA 0.397 4.867 4.470 -0.000 0.000 0.282 484 S C 0.549 175.241 174.600 0.152 0.000 1.338 484 S CA 0.061 58.400 58.200 0.233 0.000 1.045 484 S CB 0.711 64.109 63.200 0.329 0.000 0.873 484 S HN 1.205 nan 8.310 nan 0.000 0.516 485 V N 1.206 121.173 119.914 0.089 0.000 3.330 485 V HA 0.470 4.590 4.120 -0.000 0.000 0.309 485 V C 0.133 176.254 176.094 0.044 0.000 1.481 485 V CA -0.346 61.986 62.300 0.053 0.000 1.068 485 V CB 0.105 31.959 31.823 0.053 0.000 0.935 485 V HN 0.531 nan 8.190 nan 0.000 0.453 486 S N 2.372 118.113 115.700 0.069 0.000 2.472 486 S HA 0.619 5.089 4.470 -0.000 0.000 0.303 486 S C -2.675 171.976 174.600 0.086 0.000 1.099 486 S CA -0.950 57.288 58.200 0.063 0.000 1.077 486 S CB 1.746 64.978 63.200 0.053 0.000 1.031 486 S HN 0.223 nan 8.310 nan 0.000 0.487 487 P HA 0.051 nan 4.420 nan 0.000 0.232 487 P C 0.992 178.353 177.300 0.102 0.000 1.738 487 P CA -0.071 63.098 63.100 0.116 0.000 0.948 487 P CB -0.653 31.120 31.700 0.123 0.000 1.943 488 V N -2.145 117.827 119.914 0.096 0.000 2.970 488 V HA -0.020 4.100 4.120 -0.000 0.000 0.260 488 V C 0.751 176.920 176.094 0.124 0.000 1.100 488 V CA 0.734 63.081 62.300 0.079 0.000 1.122 488 V CB -0.564 31.316 31.823 0.095 0.000 0.721 488 V HN -0.041 nan 8.190 nan 0.000 0.483 489 V N 3.104 123.103 119.914 0.141 0.000 2.347 489 V HA 0.518 4.637 4.120 -0.000 0.000 0.280 489 V C -0.329 175.849 176.094 0.140 0.000 1.021 489 V CA -0.369 62.021 62.300 0.150 0.000 0.847 489 V CB 0.730 32.632 31.823 0.132 0.000 0.990 489 V HN 0.704 nan 8.190 nan 0.000 0.444 490 Q N 4.042 123.941 119.800 0.165 0.000 2.389 490 Q HA 0.877 5.217 4.340 -0.000 0.000 0.277 490 Q C -1.159 174.898 176.000 0.094 0.000 1.082 490 Q CA -0.982 54.900 55.803 0.132 0.000 0.810 490 Q CB 3.161 32.007 28.738 0.180 0.000 1.374 490 Q HN 0.608 nan 8.270 nan 0.000 0.422 491 V N -2.741 117.186 119.914 0.023 0.000 3.130 491 V HA 0.978 5.098 4.120 -0.000 0.000 0.310 491 V C -0.920 175.143 176.094 -0.052 0.000 1.158 491 V CA -1.177 61.107 62.300 -0.027 0.000 1.029 491 V CB 1.616 33.421 31.823 -0.030 0.000 1.057 491 V HN 0.919 nan 8.190 nan 0.000 0.436 492 A N 1.550 124.330 122.820 -0.066 0.000 2.301 492 A HA 0.829 5.148 4.320 -0.000 0.000 0.298 492 A C -0.414 177.152 177.584 -0.030 0.000 1.185 492 A CA -0.555 51.450 52.037 -0.054 0.000 0.830 492 A CB 0.922 19.889 19.000 -0.057 0.000 1.112 492 A HN 1.366 nan 8.150 nan 0.000 0.508 493 V N 2.358 122.270 119.914 -0.003 0.000 2.555 493 V HA 0.672 4.792 4.120 -0.000 0.000 0.302 493 V C -0.040 176.078 176.094 0.039 0.000 1.038 493 V CA -0.480 61.822 62.300 0.005 0.000 0.887 493 V CB 1.464 33.279 31.823 -0.014 0.000 0.991 493 V HN 1.021 nan 8.190 nan 0.000 0.434 494 E N 2.566 122.778 120.200 0.020 0.000 2.372 494 E HA 0.531 4.881 4.350 -0.000 0.000 0.279 494 E C -1.211 175.393 176.600 0.008 0.000 0.946 494 E CA -0.745 55.676 56.400 0.035 0.000 0.769 494 E CB 2.716 32.442 29.700 0.043 0.000 1.230 494 E HN 0.642 nan 8.360 nan 0.000 0.442 495 V N 1.757 121.673 119.914 0.005 0.000 2.715 495 V HA 0.245 4.365 4.120 -0.000 0.000 0.299 495 V C 0.878 176.972 176.094 0.000 0.000 1.054 495 V CA -0.062 62.234 62.300 -0.006 0.000 1.077 495 V CB 1.196 33.012 31.823 -0.011 0.000 0.972 495 V HN 0.783 nan 8.190 nan 0.000 0.484 496 K N 2.130 122.528 120.400 -0.004 0.000 2.288 496 K HA 0.029 4.349 4.320 -0.000 0.000 0.201 496 K C 0.724 177.323 176.600 -0.001 0.000 1.048 496 K CA 0.766 57.052 56.287 -0.002 0.000 0.956 496 K CB 0.022 32.520 32.500 -0.004 0.000 0.746 496 K HN 0.802 nan 8.250 nan 0.000 0.461 497 N N 0.357 119.055 118.700 -0.003 0.000 2.569 497 N HA 0.155 4.894 4.740 -0.000 0.000 0.254 497 N C 0.355 175.865 175.510 -0.000 0.000 1.004 497 N CA 0.056 53.104 53.050 -0.002 0.000 0.904 497 N CB 1.445 39.928 38.487 -0.006 0.000 1.165 497 N HN -0.012 nan 8.380 nan 0.000 0.513 498 A N 4.063 126.886 122.820 0.005 0.000 1.957 498 A HA -0.302 4.018 4.320 -0.000 0.000 0.224 498 A C 1.687 179.275 177.584 0.005 0.000 1.287 498 A CA 1.863 53.906 52.037 0.009 0.000 0.682 498 A CB -0.502 18.504 19.000 0.010 0.000 0.833 498 A HN 0.818 nan 8.150 nan 0.000 0.482 499 N N 0.087 118.787 118.700 0.001 0.000 2.519 499 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 499 N C 0.538 176.045 175.510 -0.006 0.000 1.062 499 N CA 1.302 54.352 53.050 -0.002 0.000 0.910 499 N CB -0.365 38.120 38.487 -0.003 0.000 0.958 499 N HN 0.558 nan 8.380 nan 0.000 0.445 500 D N 0.876 121.270 120.400 -0.009 0.000 2.347 500 D HA 0.055 4.695 4.640 -0.000 0.000 0.213 500 D C 2.052 178.339 176.300 -0.023 0.000 0.985 500 D CA -0.077 53.913 54.000 -0.017 0.000 0.879 500 D CB 0.200 40.987 40.800 -0.021 0.000 0.919 500 D HN 0.236 nan 8.370 nan 0.000 0.526 501 L N 1.020 122.235 121.223 -0.014 0.000 2.085 501 L HA -0.229 4.111 4.340 -0.000 0.000 0.218 501 L C -0.451 176.399 176.870 -0.035 0.000 1.080 501 L CA 1.754 56.583 54.840 -0.018 0.000 0.776 501 L CB -1.716 40.353 42.059 0.017 0.000 0.891 501 L HN 0.082 nan 8.230 nan 0.000 0.437 502 P HA -0.171 nan 4.420 nan 0.000 0.216 502 P C 1.294 178.574 177.300 -0.035 0.000 1.153 502 P CA 1.388 64.475 63.100 -0.022 0.000 0.848 502 P CB 0.028 31.721 31.700 -0.012 0.000 0.787 503 K N -1.016 119.363 120.400 -0.036 0.000 2.097 503 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 503 K C 1.950 178.518 176.600 -0.053 0.000 1.050 503 K CA 0.869 57.135 56.287 -0.036 0.000 0.938 503 K CB -0.814 31.667 32.500 -0.031 0.000 0.718 503 K HN 0.067 nan 8.250 nan 0.000 0.442 504 L N 1.159 122.333 121.223 -0.080 0.000 2.005 504 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 504 L C 1.983 178.747 176.870 -0.177 0.000 1.072 504 L CA 1.564 56.327 54.840 -0.129 0.000 0.744 504 L CB -0.486 41.471 42.059 -0.170 0.000 0.895 504 L HN -0.119 nan 8.230 nan 0.000 0.433 505 V N 0.025 119.826 119.914 -0.189 0.000 2.469 505 V HA -0.249 3.871 4.120 -0.000 0.000 0.251 505 V C 2.664 178.707 176.094 -0.084 0.000 1.064 505 V CA 1.828 64.030 62.300 -0.163 0.000 1.066 505 V CB -0.767 31.010 31.823 -0.076 0.000 0.667 505 V HN 0.563 nan 8.190 nan 0.000 0.461 506 E N 0.964 121.128 120.200 -0.060 0.000 2.112 506 E HA -0.022 4.328 4.350 -0.000 0.000 0.190 506 E C 2.233 178.815 176.600 -0.031 0.000 0.979 506 E CA 1.327 57.707 56.400 -0.033 0.000 0.814 506 E CB -0.701 28.988 29.700 -0.019 0.000 0.762 506 E HN 0.418 nan 8.360 nan 0.000 0.460 507 G N 0.973 109.753 108.800 -0.033 0.000 2.422 507 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 507 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 507 G C 1.586 176.445 174.900 -0.067 0.000 1.146 507 G CA 0.947 46.045 45.100 -0.004 0.000 0.769 507 G HN 0.307 nan 8.290 nan 0.000 0.547 508 L N -0.039 121.129 121.223 -0.090 0.000 2.046 508 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 508 L C 2.979 179.789 176.870 -0.100 0.000 1.077 508 L CA 1.386 56.164 54.840 -0.104 0.000 0.747 508 L CB -0.327 41.676 42.059 -0.093 0.000 0.896 508 L HN 0.194 nan 8.230 nan 0.000 0.432 509 K N -0.056 120.302 120.400 -0.070 0.000 2.026 509 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 509 K C 2.263 178.816 176.600 -0.079 0.000 1.048 509 K CA 1.294 57.550 56.287 -0.052 0.000 0.929 509 K CB -0.188 32.296 32.500 -0.026 0.000 0.713 509 K HN 0.246 nan 8.250 nan 0.000 0.439 510 R N 0.702 121.149 120.500 -0.089 0.000 2.091 510 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 510 R C 2.415 178.524 176.300 -0.319 0.000 1.136 510 R CA 1.203 57.244 56.100 -0.099 0.000 0.959 510 R CB -0.472 29.848 30.300 0.032 0.000 0.856 510 R HN 0.127 nan 8.270 nan 0.000 0.437 511 L N 0.685 121.571 121.223 -0.563 0.000 2.017 511 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 511 L C 1.937 178.636 176.870 -0.284 0.000 1.073 511 L CA 1.866 56.274 54.840 -0.720 0.000 0.745 511 L CB -0.523 41.228 42.059 -0.513 0.000 0.894 511 L HN -0.021 nan 8.230 nan 0.000 0.432 512 S N -0.148 115.453 115.700 -0.165 0.000 2.356 512 S HA -0.203 4.267 4.470 -0.000 0.000 0.223 512 S C 1.866 176.437 174.600 -0.048 0.000 1.032 512 S CA 1.691 59.848 58.200 -0.071 0.000 1.005 512 S CB -0.327 62.852 63.200 -0.034 0.000 0.867 512 S HN 0.493 nan 8.310 nan 0.000 0.449 513 K N 1.455 121.822 120.400 -0.055 0.000 2.097 513 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 513 K C 2.455 179.047 176.600 -0.012 0.000 1.049 513 K CA 1.588 57.861 56.287 -0.024 0.000 0.933 513 K CB -0.260 32.230 32.500 -0.017 0.000 0.717 513 K HN 0.490 nan 8.250 nan 0.000 0.442 514 S N -0.040 115.646 115.700 -0.024 0.000 2.496 514 S HA -0.037 4.432 4.470 -0.000 0.000 0.224 514 S C 0.417 175.032 174.600 0.026 0.000 0.996 514 S CA 0.215 58.426 58.200 0.018 0.000 0.927 514 S CB 0.196 63.438 63.200 0.070 0.000 0.774 514 S HN 0.075 nan 8.310 nan 0.000 0.524 515 D N 1.371 121.778 120.400 0.013 0.000 2.549 515 D HA 0.410 5.049 4.640 -0.000 0.000 0.251 515 D C -2.379 173.948 176.300 0.044 0.000 1.153 515 D CA -2.091 51.938 54.000 0.049 0.000 0.861 515 D CB 2.338 43.188 40.800 0.083 0.000 1.207 515 D HN -0.102 nan 8.370 nan 0.000 0.543 516 P HA 0.027 nan 4.420 nan 0.000 0.217 516 P C 1.171 178.493 177.300 0.037 0.000 1.151 516 P CA 0.533 63.647 63.100 0.023 0.000 0.828 516 P CB 0.409 32.111 31.700 0.002 0.000 0.788 517 C N -1.203 118.126 119.300 0.048 0.000 2.576 517 C HA 0.226 4.686 4.460 -0.000 0.000 0.267 517 C C 1.222 176.342 174.990 0.217 0.000 1.364 517 C CA -0.251 58.809 59.018 0.069 0.000 1.723 517 C CB -1.196 26.488 27.740 -0.093 0.000 1.778 517 C HN 0.044 nan 8.230 nan 0.000 0.572 518 V N 1.778 121.809 119.914 0.196 0.000 2.567 518 V HA 0.648 4.768 4.120 -0.000 0.000 0.289 518 V C -0.653 175.493 176.094 0.088 0.000 1.049 518 V CA -0.335 62.047 62.300 0.136 0.000 0.969 518 V CB 1.616 33.457 31.823 0.030 0.000 0.995 518 V HN 0.290 nan 8.190 nan 0.000 0.471 519 L N 5.914 127.192 121.223 0.092 0.000 2.408 519 L HA 0.902 5.242 4.340 -0.000 0.000 0.268 519 L C -0.368 176.574 176.870 0.120 0.000 0.986 519 L CA 0.246 55.160 54.840 0.124 0.000 0.820 519 L CB 2.397 44.560 42.059 0.174 0.000 1.303 519 L HN 0.871 nan 8.230 nan 0.000 0.411 520 T N 1.517 116.150 114.554 0.133 0.000 2.916 520 T HA 0.802 5.152 4.350 -0.000 0.000 0.298 520 T C -0.984 173.822 174.700 0.176 0.000 1.031 520 T CA -0.495 61.646 62.100 0.069 0.000 0.993 520 T CB 1.384 70.262 68.868 0.017 0.000 1.045 520 T HN 0.829 nan 8.240 nan 0.000 0.454 521 Y N 0.278 120.615 120.300 0.061 0.000 2.677 521 Y HA 0.755 5.305 4.550 -0.000 0.000 0.334 521 Y C -1.194 174.730 175.900 0.040 0.000 1.196 521 Y CA -1.821 56.309 58.100 0.051 0.000 1.059 521 Y CB 1.460 39.943 38.460 0.037 0.000 1.315 521 Y HN 0.832 nan 8.280 nan 0.000 0.455 522 M N 3.593 123.285 119.600 0.152 0.000 2.144 522 M HA 0.503 4.983 4.480 -0.000 0.000 0.356 522 M C -0.068 176.304 176.300 0.119 0.000 1.217 522 M CA -0.122 55.176 55.300 -0.003 0.000 1.087 522 M CB 0.962 33.534 32.600 -0.047 0.000 1.609 522 M HN 0.841 nan 8.290 nan 0.000 0.467 523 S N 2.474 118.181 115.700 0.011 0.000 2.614 523 S HA 0.194 4.664 4.470 -0.000 0.000 0.265 523 S C 0.851 175.475 174.600 0.040 0.000 1.303 523 S CA -0.327 57.928 58.200 0.091 0.000 1.000 523 S CB 1.060 64.281 63.200 0.035 0.000 0.935 523 S HN 0.852 nan 8.310 nan 0.000 0.551 524 E N 1.179 121.397 120.200 0.031 0.000 2.209 524 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 524 E C 1.338 177.943 176.600 0.008 0.000 0.993 524 E CA 1.604 58.007 56.400 0.006 0.000 0.819 524 E CB -0.471 29.222 29.700 -0.012 0.000 0.745 524 E HN 0.630 nan 8.360 nan 0.000 0.477 525 S N -1.113 114.595 115.700 0.013 0.000 2.577 525 S HA 0.300 4.770 4.470 -0.000 0.000 0.219 525 S C 0.942 175.542 174.600 -0.001 0.000 0.962 525 S CA 0.355 58.568 58.200 0.021 0.000 0.921 525 S CB 0.621 63.853 63.200 0.055 0.000 0.789 525 S HN 0.507 nan 8.310 nan 0.000 0.497 526 G N 1.928 110.708 108.800 -0.033 0.000 2.149 526 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.235 526 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.235 526 G C -0.418 174.404 174.900 -0.131 0.000 1.018 526 G CA -0.313 44.740 45.100 -0.077 0.000 0.728 526 G HN 0.518 nan 8.290 nan 0.000 0.508 527 E N 0.165 120.288 120.200 -0.129 0.000 2.195 527 E HA 0.385 4.735 4.350 -0.000 0.000 0.271 527 E C -0.244 176.221 176.600 -0.226 0.000 0.923 527 E CA -0.980 55.332 56.400 -0.146 0.000 0.790 527 E CB 1.066 30.726 29.700 -0.066 0.000 1.155 527 E HN 0.409 nan 8.360 nan 0.000 0.402 528 H N 2.563 121.584 119.070 -0.081 0.000 2.848 528 H HA 0.143 4.699 4.556 -0.000 0.000 0.317 528 H C -0.112 175.102 175.328 -0.190 0.000 1.046 528 H CA 0.213 56.189 56.048 -0.121 0.000 1.470 528 H CB 0.515 30.229 29.762 -0.081 0.000 1.483 528 H HN 0.239 nan 8.280 nan 0.000 0.548 529 I N 4.149 124.567 120.570 -0.253 0.000 2.441 529 I HA 0.178 4.348 4.170 -0.000 0.000 0.295 529 I C 0.241 176.192 176.117 -0.276 0.000 0.994 529 I CA -0.739 60.339 61.300 -0.370 0.000 1.144 529 I CB 1.757 39.258 38.000 -0.832 0.000 1.314 529 I HN 0.186 nan 8.210 nan 0.000 0.445 530 V N 4.896 124.728 119.914 -0.137 0.000 2.487 530 V HA 0.793 4.913 4.120 -0.000 0.000 0.298 530 V C 0.043 176.126 176.094 -0.019 0.000 1.028 530 V CA -0.585 61.675 62.300 -0.067 0.000 0.860 530 V CB 1.746 33.536 31.823 -0.054 0.000 0.991 530 V HN 0.904 nan 8.190 nan 0.000 0.427 531 A N 3.457 126.297 122.820 0.034 0.000 2.386 531 A HA 0.980 5.300 4.320 -0.000 0.000 0.311 531 A C -0.004 177.629 177.584 0.081 0.000 1.068 531 A CA -0.141 51.948 52.037 0.087 0.000 0.743 531 A CB 1.875 20.977 19.000 0.170 0.000 1.258 531 A HN 1.093 nan 8.150 nan 0.000 0.429 532 G N -0.441 108.418 108.800 0.098 0.000 2.569 532 G HA2 0.479 4.439 3.960 -0.000 0.000 0.300 532 G HA3 0.479 4.439 3.960 -0.000 0.000 0.300 532 G C 0.509 175.572 174.900 0.272 0.000 1.269 532 G CA 0.263 45.471 45.100 0.179 0.000 0.959 532 G HN 0.533 nan 8.290 nan 0.000 0.478 533 T N -0.156 114.652 114.554 0.424 0.000 2.720 533 T HA 0.106 4.456 4.350 -0.000 0.000 0.268 533 T C 1.165 175.976 174.700 0.185 0.000 1.037 533 T CA 1.994 64.213 62.100 0.198 0.000 1.144 533 T CB -0.319 68.547 68.868 -0.003 0.000 0.864 533 T HN 0.932 nan 8.240 nan 0.000 0.444 534 G N -0.784 108.143 108.800 0.212 0.000 2.708 534 G HA2 0.492 4.452 3.960 -0.000 0.000 0.289 534 G HA3 0.492 4.452 3.960 -0.000 0.000 0.289 534 G C -0.155 174.833 174.900 0.147 0.000 1.416 534 G CA -0.566 44.634 45.100 0.167 0.000 0.829 534 G HN 0.039 nan 8.290 nan 0.000 0.480 535 E N -0.499 119.766 120.200 0.108 0.000 2.097 535 E HA -0.149 4.200 4.350 -0.000 0.000 0.196 535 E C 2.360 179.001 176.600 0.069 0.000 1.000 535 E CA 1.146 57.594 56.400 0.080 0.000 0.804 535 E CB -0.050 29.687 29.700 0.063 0.000 0.740 535 E HN 0.313 nan 8.360 nan 0.000 0.454 536 L N 0.434 121.704 121.223 0.077 0.000 2.027 536 L HA -0.171 4.168 4.340 -0.000 0.000 0.206 536 L C 2.250 179.177 176.870 0.095 0.000 1.074 536 L CA 2.030 56.908 54.840 0.063 0.000 0.745 536 L CB -0.737 41.353 42.059 0.053 0.000 0.898 536 L HN 0.307 nan 8.230 nan 0.000 0.433 537 H N -1.071 118.012 119.070 0.020 0.000 2.319 537 H HA -0.208 4.348 4.556 -0.000 0.000 0.299 537 H C 2.192 177.531 175.328 0.020 0.000 1.092 537 H CA 2.027 58.084 56.048 0.015 0.000 1.302 537 H CB 0.095 29.868 29.762 0.018 0.000 1.373 537 H HN 0.367 nan 8.280 nan 0.000 0.497 538 L N 1.641 122.830 121.223 -0.056 0.000 2.079 538 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 538 L C 2.502 179.321 176.870 -0.084 0.000 1.081 538 L CA 2.175 56.944 54.840 -0.118 0.000 0.752 538 L CB -0.754 41.297 42.059 -0.013 0.000 0.896 538 L HN 0.414 nan 8.230 nan 0.000 0.433 539 E N -0.528 119.652 120.200 -0.033 0.000 2.072 539 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 539 E C 2.131 178.713 176.600 -0.030 0.000 0.985 539 E CA 1.481 57.868 56.400 -0.022 0.000 0.801 539 E CB -0.030 29.667 29.700 -0.005 0.000 0.750 539 E HN 0.490 nan 8.360 nan 0.000 0.452 540 I N 1.402 121.953 120.570 -0.031 0.000 2.127 540 I HA -0.309 3.861 4.170 -0.000 0.000 0.241 540 I C 2.684 178.781 176.117 -0.034 0.000 1.075 540 I CA 0.827 62.114 61.300 -0.022 0.000 1.334 540 I CB -1.725 36.280 38.000 0.007 0.000 1.040 540 I HN 0.375 nan 8.210 nan 0.000 0.405 541 C N 0.881 120.122 119.300 -0.099 0.000 2.398 541 C HA -0.181 4.279 4.460 -0.000 0.000 0.276 541 C C 3.003 177.981 174.990 -0.021 0.000 1.222 541 C CA 0.697 59.660 59.018 -0.091 0.000 1.746 541 C CB -1.223 26.380 27.740 -0.227 0.000 2.039 541 C HN 0.468 nan 8.230 nan 0.000 0.470 542 L N 0.010 121.212 121.223 -0.034 0.000 2.093 542 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 542 L C 2.783 179.662 176.870 0.015 0.000 1.085 542 L CA 1.480 56.315 54.840 -0.009 0.000 0.755 542 L CB -0.779 41.269 42.059 -0.018 0.000 0.904 542 L HN 0.499 nan 8.230 nan 0.000 0.435 543 Q N -0.097 119.708 119.800 0.008 0.000 2.020 543 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 543 Q C 1.867 177.890 176.000 0.040 0.000 0.982 543 Q CA 1.666 57.478 55.803 0.015 0.000 0.838 543 Q CB -0.139 28.591 28.738 -0.013 0.000 0.899 543 Q HN 0.448 nan 8.270 nan 0.000 0.423 544 D N 0.652 121.074 120.400 0.037 0.000 2.144 544 D HA -0.149 4.491 4.640 -0.000 0.000 0.199 544 D C 1.904 178.269 176.300 0.108 0.000 0.984 544 D CA 0.726 54.745 54.000 0.031 0.000 0.834 544 D CB -0.185 40.654 40.800 0.066 0.000 0.955 544 D HN 0.096 nan 8.370 nan 0.000 0.465 545 L N 1.285 122.632 121.223 0.206 0.000 1.994 545 L HA -0.164 4.175 4.340 -0.000 0.000 0.208 545 L C 2.212 179.141 176.870 0.098 0.000 1.071 545 L CA 1.955 56.917 54.840 0.203 0.000 0.745 545 L CB -0.637 41.471 42.059 0.083 0.000 0.892 545 L HN -0.044 nan 8.230 nan 0.000 0.431 546 E N -1.708 118.528 120.200 0.060 0.000 2.051 546 E HA -0.301 4.049 4.350 -0.000 0.000 0.192 546 E C 2.339 178.957 176.600 0.029 0.000 0.991 546 E CA 1.346 57.766 56.400 0.034 0.000 0.799 546 E CB -0.357 29.362 29.700 0.031 0.000 0.748 546 E HN 0.694 nan 8.360 nan 0.000 0.449 547 H N -0.061 118.989 119.070 -0.034 0.000 2.333 547 H HA -0.070 4.485 4.556 -0.000 0.000 0.302 547 H C 1.090 176.374 175.328 -0.074 0.000 1.075 547 H CA 1.829 57.847 56.048 -0.051 0.000 1.348 547 H CB 0.386 30.115 29.762 -0.055 0.000 1.393 547 H HN 0.260 nan 8.280 nan 0.000 0.509 548 D N -0.681 119.723 120.400 0.006 0.000 2.844 548 D HA -0.031 4.609 4.640 -0.000 0.000 0.271 548 D C 2.214 178.449 176.300 -0.107 0.000 1.386 548 D CA 0.022 53.958 54.000 -0.107 0.000 1.053 548 D CB -0.698 39.962 40.800 -0.233 0.000 1.107 548 D HN 0.360 nan 8.370 nan 0.000 0.395 549 H N 1.275 120.349 119.070 0.006 0.000 2.304 549 H HA -0.177 4.379 4.556 -0.000 0.000 0.287 549 H C 1.753 177.064 175.328 -0.029 0.000 1.112 549 H CA 2.148 58.188 56.048 -0.012 0.000 1.200 549 H CB -0.302 29.452 29.762 -0.014 0.000 1.349 549 H HN 0.225 nan 8.280 nan 0.000 0.477 550 A N -0.668 122.203 122.820 0.086 0.000 2.013 550 A HA 0.376 4.696 4.320 -0.000 0.000 0.204 550 A C 1.875 179.445 177.584 -0.023 0.000 1.262 550 A CA 0.949 52.996 52.037 0.016 0.000 0.800 550 A CB -0.095 18.904 19.000 -0.003 0.000 0.909 550 A HN 0.530 nan 8.150 nan 0.000 0.472 551 G N -0.469 108.304 108.800 -0.044 0.000 2.338 551 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.296 551 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.296 551 G C -0.184 174.667 174.900 -0.082 0.000 1.040 551 G CA 0.518 45.558 45.100 -0.100 0.000 1.004 551 G HN 1.196 nan 8.290 nan 0.000 0.509 552 V N -0.604 119.276 119.914 -0.058 0.000 3.048 552 V HA 0.480 4.600 4.120 -0.000 0.000 0.303 552 V C -2.330 173.744 176.094 -0.033 0.000 1.214 552 V CA -1.710 60.563 62.300 -0.046 0.000 0.984 552 V CB 2.605 34.405 31.823 -0.038 0.000 1.054 552 V HN 0.099 nan 8.190 nan 0.000 0.430 553 P HA 0.187 nan 4.420 nan 0.000 0.261 553 P C -0.952 176.339 177.300 -0.015 0.000 1.183 553 P CA 0.533 63.623 63.100 -0.017 0.000 0.761 553 P CB 0.232 31.923 31.700 -0.014 0.000 0.785 554 L N 3.175 124.392 121.223 -0.011 0.000 2.333 554 L HA 0.555 4.895 4.340 -0.000 0.000 0.269 554 L C 0.509 177.374 176.870 -0.008 0.000 1.010 554 L CA -0.938 53.895 54.840 -0.011 0.000 0.818 554 L CB 2.017 44.069 42.059 -0.013 0.000 1.306 554 L HN 0.225 nan 8.230 nan 0.000 0.430 555 K N 2.543 122.938 120.400 -0.008 0.000 2.323 555 K HA 0.542 4.861 4.320 -0.000 0.000 0.259 555 K C -1.299 175.294 176.600 -0.013 0.000 0.947 555 K CA -0.609 55.673 56.287 -0.008 0.000 0.819 555 K CB 1.286 33.783 32.500 -0.005 0.000 1.109 555 K HN 0.357 nan 8.250 nan 0.000 0.429 556 I N 3.144 123.704 120.570 -0.017 0.000 2.460 556 I HA 0.382 4.552 4.170 -0.000 0.000 0.298 556 I C -0.064 176.031 176.117 -0.036 0.000 0.989 556 I CA -0.311 60.974 61.300 -0.025 0.000 1.173 556 I CB 1.185 39.172 38.000 -0.021 0.000 1.338 556 I HN 0.864 nan 8.210 nan 0.000 0.456 557 S N 5.274 120.941 115.700 -0.054 0.000 2.611 557 S HA 0.636 5.106 4.470 -0.000 0.000 0.268 557 S C -3.228 171.288 174.600 -0.141 0.000 1.156 557 S CA -1.303 56.848 58.200 -0.082 0.000 0.817 557 S CB 1.696 64.855 63.200 -0.068 0.000 1.122 557 S HN 0.262 nan 8.310 nan 0.000 0.466 558 P HA 0.316 nan 4.420 nan 0.000 0.271 558 P C -2.421 174.636 177.300 -0.406 0.000 1.220 558 P CA -0.847 61.974 63.100 -0.465 0.000 0.768 558 P CB -0.251 31.089 31.700 -0.599 0.000 0.848 559 P HA -0.049 nan 4.420 nan 0.000 0.265 559 P C -0.273 176.992 177.300 -0.057 0.000 1.193 559 P CA 0.285 63.307 63.100 -0.130 0.000 0.765 559 P CB 0.474 32.181 31.700 0.013 0.000 0.823 560 V N 4.329 124.252 119.914 0.015 0.000 2.655 560 V HA -0.009 4.111 4.120 -0.000 0.000 0.300 560 V C 0.830 177.009 176.094 0.142 0.000 1.044 560 V CA 0.002 62.357 62.300 0.093 0.000 1.095 560 V CB 1.083 32.959 31.823 0.088 0.000 0.952 560 V HN 0.276 nan 8.190 nan 0.000 0.485 561 V N 4.932 124.966 119.914 0.200 0.000 2.509 561 V HA 0.609 4.729 4.120 -0.000 0.000 0.284 561 V C 0.584 176.661 176.094 -0.029 0.000 1.047 561 V CA -0.472 61.860 62.300 0.053 0.000 0.952 561 V CB 1.433 33.256 31.823 -0.001 0.000 0.988 561 V HN 1.008 nan 8.190 nan 0.000 0.469 562 A N 4.682 127.429 122.820 -0.120 0.000 2.327 562 A HA 0.774 5.093 4.320 -0.000 0.000 0.283 562 A C -1.052 176.479 177.584 -0.089 0.000 1.127 562 A CA -0.175 51.865 52.037 0.005 0.000 0.810 562 A CB 0.319 19.363 19.000 0.073 0.000 1.066 562 A HN 0.734 nan 8.150 nan 0.000 0.492 563 Y N 0.212 120.663 120.300 0.252 0.000 2.633 563 Y HA 0.740 5.290 4.550 -0.000 0.000 0.339 563 Y C 0.363 176.231 175.900 -0.053 0.000 1.045 563 Y CA -0.797 57.471 58.100 0.281 0.000 1.098 563 Y CB 1.632 40.322 38.460 0.383 0.000 1.296 563 Y HN 0.644 nan 8.280 nan 0.000 0.494 564 R N 0.655 121.157 120.500 0.004 0.000 2.740 564 R HA 0.423 4.763 4.340 -0.000 0.000 0.282 564 R C -1.461 174.837 176.300 -0.003 0.000 0.969 564 R CA -1.169 54.778 56.100 -0.256 0.000 0.918 564 R CB 1.418 31.307 30.300 -0.686 0.000 1.175 564 R HN 0.657 nan 8.270 nan 0.000 0.464 565 E N 0.657 120.847 120.200 -0.016 0.000 2.129 565 E HA 0.353 4.703 4.350 -0.000 0.000 0.268 565 E C -0.631 176.148 176.600 0.297 0.000 0.900 565 E CA -0.337 56.160 56.400 0.162 0.000 0.755 565 E CB 2.101 31.810 29.700 0.015 0.000 1.117 565 E HN 0.398 nan 8.360 nan 0.000 0.410 566 T N 0.961 115.713 114.554 0.330 0.000 2.742 566 T HA 0.601 4.951 4.350 -0.000 0.000 0.282 566 T C -1.242 173.419 174.700 -0.067 0.000 1.025 566 T CA -0.653 61.578 62.100 0.218 0.000 1.020 566 T CB 1.513 70.433 68.868 0.087 0.000 1.317 566 T HN 0.243 nan 8.240 nan 0.000 0.538 567 V N 0.760 120.575 119.914 -0.165 0.000 2.680 567 V HA 0.736 4.855 4.120 -0.000 0.000 0.309 567 V C 0.532 176.541 176.094 -0.142 0.000 1.052 567 V CA -0.611 61.503 62.300 -0.310 0.000 0.908 567 V CB 1.629 33.232 31.823 -0.366 0.000 1.001 567 V HN 0.929 nan 8.190 nan 0.000 0.431 568 E N 2.441 122.561 120.200 -0.134 0.000 2.340 568 E HA 0.214 4.564 4.350 -0.000 0.000 0.194 568 E C 0.764 177.319 176.600 -0.075 0.000 0.996 568 E CA 0.978 57.333 56.400 -0.076 0.000 0.869 568 E CB 0.405 30.070 29.700 -0.058 0.000 0.835 568 E HN 1.119 nan 8.360 nan 0.000 0.493 569 S N -1.786 113.853 115.700 -0.102 0.000 2.752 569 S HA 0.326 4.796 4.470 -0.000 0.000 0.284 569 S C -0.534 174.000 174.600 -0.111 0.000 1.189 569 S CA -1.091 57.053 58.200 -0.093 0.000 0.835 569 S CB 1.089 64.239 63.200 -0.084 0.000 1.192 569 S HN 0.097 nan 8.310 nan 0.000 0.506 570 E N 0.653 120.791 120.200 -0.102 0.000 2.392 570 E HA 0.370 4.720 4.350 -0.000 0.000 0.259 570 E C -0.588 175.938 176.600 -0.123 0.000 1.108 570 E CA -0.441 55.895 56.400 -0.106 0.000 0.916 570 E CB 0.624 30.265 29.700 -0.098 0.000 0.989 570 E HN 0.586 nan 8.360 nan 0.000 0.432 571 S N 1.609 117.235 115.700 -0.122 0.000 2.546 571 S HA -0.071 4.399 4.470 -0.000 0.000 0.290 571 S C 1.173 175.672 174.600 -0.167 0.000 1.290 571 S CA 0.244 58.352 58.200 -0.153 0.000 1.069 571 S CB 0.769 63.896 63.200 -0.121 0.000 0.846 571 S HN 0.625 nan 8.310 nan 0.000 0.495 572 S N 1.877 117.446 115.700 -0.219 0.000 2.500 572 S HA -0.106 4.364 4.470 -0.000 0.000 0.239 572 S C 0.439 174.921 174.600 -0.197 0.000 0.989 572 S CA 0.476 58.555 58.200 -0.202 0.000 0.951 572 S CB -0.532 62.531 63.200 -0.228 0.000 0.759 572 S HN 0.879 nan 8.310 nan 0.000 0.523 573 Q N -1.460 118.206 119.800 -0.222 0.000 2.594 573 Q HA 0.349 4.688 4.340 -0.000 0.000 0.278 573 Q C -1.525 174.417 176.000 -0.097 0.000 0.961 573 Q CA -0.931 54.776 55.803 -0.160 0.000 0.844 573 Q CB 0.217 28.831 28.738 -0.207 0.000 1.475 573 Q HN -0.031 nan 8.270 nan 0.000 0.389 574 T N 1.686 116.243 114.554 0.005 0.000 2.891 574 T HA 0.269 4.618 4.350 -0.000 0.000 0.296 574 T C 0.072 174.886 174.700 0.191 0.000 1.025 574 T CA 0.922 63.079 62.100 0.095 0.000 1.149 574 T CB 0.174 69.142 68.868 0.166 0.000 1.007 574 T HN 0.590 nan 8.240 nan 0.000 0.528 575 A N 3.577 126.495 122.820 0.163 0.000 2.328 575 A HA 0.642 4.962 4.320 -0.000 0.000 0.284 575 A C -0.426 177.218 177.584 0.099 0.000 1.160 575 A CA -0.611 51.569 52.037 0.238 0.000 0.818 575 A CB 0.317 19.407 19.000 0.151 0.000 1.087 575 A HN 0.691 nan 8.150 nan 0.000 0.504 576 L N 2.270 123.441 121.223 -0.088 0.000 2.381 576 L HA 0.769 5.109 4.340 -0.000 0.000 0.274 576 L C -0.538 176.025 176.870 -0.511 0.000 0.988 576 L CA 0.277 54.815 54.840 -0.504 0.000 0.824 576 L CB 2.032 43.684 42.059 -0.678 0.000 1.263 576 L HN 0.566 nan 8.230 nan 0.000 0.410 577 S N 3.681 119.164 115.700 -0.362 0.000 2.546 577 S HA 0.707 5.177 4.470 -0.000 0.000 0.274 577 S C -1.376 173.106 174.600 -0.197 0.000 1.121 577 S CA -0.991 57.078 58.200 -0.218 0.000 0.887 577 S CB 2.033 65.185 63.200 -0.081 0.000 1.094 577 S HN 0.698 nan 8.310 nan 0.000 0.474 578 K N -0.293 120.025 120.400 -0.135 0.000 2.306 578 K HA 0.759 5.079 4.320 -0.000 0.000 0.236 578 K C -0.231 176.342 176.600 -0.044 0.000 1.013 578 K CA -0.711 55.520 56.287 -0.093 0.000 0.857 578 K CB 1.298 33.743 32.500 -0.092 0.000 1.214 578 K HN 0.583 nan 8.250 nan 0.000 0.449 579 S N -0.024 115.668 115.700 -0.013 0.000 2.645 579 S HA 0.202 4.672 4.470 -0.000 0.000 0.266 579 S C -1.942 172.666 174.600 0.013 0.000 1.258 579 S CA -1.161 57.045 58.200 0.010 0.000 0.990 579 S CB 1.056 64.277 63.200 0.035 0.000 0.967 579 S HN 0.475 nan 8.310 nan 0.000 0.556 580 P HA -0.115 nan 4.420 nan 0.000 0.216 580 P C 0.906 178.225 177.300 0.032 0.000 1.153 580 P CA 1.494 64.605 63.100 0.019 0.000 0.858 580 P CB -0.232 31.481 31.700 0.022 0.000 0.789 581 N N -1.005 117.734 118.700 0.065 0.000 2.205 581 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 581 N C 0.517 176.111 175.510 0.139 0.000 1.015 581 N CA 0.942 54.086 53.050 0.156 0.000 0.862 581 N CB -0.170 38.444 38.487 0.212 0.000 0.986 581 N HN 0.037 nan 8.380 nan 0.000 0.429 582 K N -2.584 117.836 120.400 0.034 0.000 3.548 582 K HA -0.231 4.089 4.320 -0.000 0.000 0.296 582 K C -0.108 176.400 176.600 -0.154 0.000 1.324 582 K CA 0.929 57.168 56.287 -0.080 0.000 0.976 582 K CB -1.485 30.935 32.500 -0.134 0.000 1.294 582 K HN 0.461 nan 8.250 nan 0.000 0.464 583 H N 0.052 119.116 119.070 -0.009 0.000 2.547 583 H HA 0.179 4.734 4.556 -0.000 0.000 0.272 583 H C 0.535 175.897 175.328 0.056 0.000 0.971 583 H CA 0.424 56.487 56.048 0.025 0.000 1.245 583 H CB 0.303 30.059 29.762 -0.010 0.000 1.440 583 H HN 0.167 nan 8.280 nan 0.000 0.540 584 N N 1.297 120.080 118.700 0.138 0.000 2.361 584 N HA 0.381 5.120 4.740 -0.000 0.000 0.302 584 N C -0.620 174.909 175.510 0.031 0.000 1.074 584 N CA -0.431 52.680 53.050 0.101 0.000 0.850 584 N CB 2.472 41.017 38.487 0.096 0.000 1.228 584 N HN 0.147 nan 8.380 nan 0.000 0.491 585 R N 1.186 121.700 120.500 0.024 0.000 2.673 585 R HA 0.581 4.921 4.340 -0.000 0.000 0.281 585 R C -0.732 175.522 176.300 -0.077 0.000 0.991 585 R CA -0.653 55.395 56.100 -0.086 0.000 0.896 585 R CB 2.182 32.385 30.300 -0.161 0.000 1.201 585 R HN 0.475 nan 8.270 nan 0.000 0.457 586 I N 2.595 123.061 120.570 -0.172 0.000 2.474 586 I HA 0.359 4.529 4.170 -0.000 0.000 0.294 586 I C -1.061 174.928 176.117 -0.214 0.000 1.005 586 I CA -0.870 60.381 61.300 -0.082 0.000 1.113 586 I CB 1.591 39.573 38.000 -0.030 0.000 1.289 586 I HN 0.465 nan 8.210 nan 0.000 0.436 587 Y N 6.990 127.277 120.300 -0.022 0.000 2.328 587 Y HA 0.610 5.160 4.550 -0.000 0.000 0.337 587 Y C -0.293 175.589 175.900 -0.029 0.000 0.966 587 Y CA -0.875 57.214 58.100 -0.018 0.000 1.136 587 Y CB 1.488 39.937 38.460 -0.017 0.000 1.170 587 Y HN 0.353 nan 8.280 nan 0.000 0.470 588 L N 0.229 121.513 121.223 0.102 0.000 2.600 588 L HA 0.804 5.144 4.340 -0.000 0.000 0.257 588 L C -1.596 175.293 176.870 0.033 0.000 1.048 588 L CA -1.487 53.378 54.840 0.042 0.000 0.869 588 L CB 2.177 44.238 42.059 0.003 0.000 1.482 588 L HN 0.325 nan 8.230 nan 0.000 0.408 589 K N 0.283 120.681 120.400 -0.003 0.000 2.469 589 K HA 0.916 5.235 4.320 -0.000 0.000 0.254 589 K C -1.397 175.189 176.600 -0.023 0.000 0.939 589 K CA -0.741 55.534 56.287 -0.019 0.000 0.812 589 K CB 2.509 34.984 32.500 -0.042 0.000 1.301 589 K HN 0.987 nan 8.250 nan 0.000 0.433 590 A N 1.854 124.660 122.820 -0.023 0.000 2.355 590 A HA 0.646 4.966 4.320 -0.000 0.000 0.324 590 A C -1.103 176.449 177.584 -0.053 0.000 1.117 590 A CA -0.525 51.508 52.037 -0.006 0.000 0.785 590 A CB 0.938 19.962 19.000 0.040 0.000 1.254 590 A HN 0.836 nan 8.150 nan 0.000 0.453 591 E N 0.877 121.050 120.200 -0.045 0.000 2.412 591 E HA 0.601 4.950 4.350 -0.000 0.000 0.279 591 E C -3.159 173.416 176.600 -0.042 0.000 0.984 591 E CA -2.218 54.140 56.400 -0.070 0.000 0.788 591 E CB 1.684 31.324 29.700 -0.101 0.000 1.277 591 E HN 0.269 nan 8.360 nan 0.000 0.455 592 P HA 0.132 nan 4.420 nan 0.000 0.268 592 P C -0.638 176.673 177.300 0.017 0.000 1.205 592 P CA 0.072 63.165 63.100 -0.011 0.000 0.771 592 P CB 0.470 32.158 31.700 -0.021 0.000 0.858 593 I N 1.938 122.548 120.570 0.068 0.000 2.392 593 I HA 0.183 4.353 4.170 -0.000 0.000 0.295 593 I C 0.901 177.088 176.117 0.116 0.000 0.985 593 I CA -0.670 60.707 61.300 0.128 0.000 1.221 593 I CB 0.901 39.003 38.000 0.170 0.000 1.366 593 I HN 0.288 nan 8.210 nan 0.000 0.467 594 D N 5.348 125.836 120.400 0.146 0.000 2.443 594 D HA -0.078 4.562 4.640 -0.000 0.000 0.239 594 D C 1.046 177.422 176.300 0.126 0.000 1.136 594 D CA 0.220 54.299 54.000 0.132 0.000 0.879 594 D CB 1.188 42.093 40.800 0.174 0.000 1.195 594 D HN 0.498 nan 8.370 nan 0.000 0.443 595 E N 2.456 122.720 120.200 0.106 0.000 2.070 595 E HA -0.209 4.140 4.350 -0.000 0.000 0.197 595 E C 1.502 178.171 176.600 0.114 0.000 1.004 595 E CA 0.951 57.412 56.400 0.101 0.000 0.805 595 E CB 0.097 29.845 29.700 0.080 0.000 0.744 595 E HN 0.577 nan 8.360 nan 0.000 0.451 596 E N 0.228 120.513 120.200 0.142 0.000 2.160 596 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 596 E C 2.125 178.817 176.600 0.154 0.000 0.991 596 E CA 0.681 57.197 56.400 0.193 0.000 0.810 596 E CB 0.111 29.978 29.700 0.279 0.000 0.742 596 E HN 0.097 nan 8.360 nan 0.000 0.466 597 V N 0.236 120.201 119.914 0.085 0.000 2.407 597 V HA -0.153 3.967 4.120 -0.000 0.000 0.245 597 V C 2.368 178.436 176.094 -0.044 0.000 1.041 597 V CA 1.385 63.615 62.300 -0.117 0.000 1.040 597 V CB -0.277 31.535 31.823 -0.017 0.000 0.671 597 V HN 0.153 nan 8.190 nan 0.000 0.455 598 S N 0.325 116.055 115.700 0.050 0.000 2.356 598 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 598 S C 1.917 176.565 174.600 0.080 0.000 1.032 598 S CA 1.373 59.618 58.200 0.075 0.000 1.005 598 S CB -0.375 62.882 63.200 0.094 0.000 0.867 598 S HN 0.313 nan 8.310 nan 0.000 0.449 599 L N 1.678 122.955 121.223 0.089 0.000 2.042 599 L HA -0.048 4.291 4.340 -0.000 0.000 0.210 599 L C 2.598 179.509 176.870 0.069 0.000 1.076 599 L CA 1.744 56.643 54.840 0.098 0.000 0.749 599 L CB -1.442 40.679 42.059 0.103 0.000 0.893 599 L HN 0.310 nan 8.230 nan 0.000 0.432 600 A N -0.771 122.065 122.820 0.026 0.000 1.933 600 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 600 A C 2.325 179.900 177.584 -0.014 0.000 1.175 600 A CA 1.837 53.865 52.037 -0.015 0.000 0.628 600 A CB -0.639 18.247 19.000 -0.190 0.000 0.814 600 A HN 0.409 nan 8.150 nan 0.000 0.444 601 I N -0.829 119.742 120.570 0.003 0.000 2.193 601 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 601 I C 2.478 178.627 176.117 0.053 0.000 1.084 601 I CA 1.510 62.841 61.300 0.052 0.000 1.365 601 I CB -0.439 37.647 38.000 0.143 0.000 1.064 601 I HN 0.366 nan 8.210 nan 0.000 0.410 602 E N 0.797 121.044 120.200 0.078 0.000 2.118 602 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 602 E C 1.298 177.941 176.600 0.072 0.000 0.992 602 E CA 1.053 57.508 56.400 0.091 0.000 0.804 602 E CB -0.047 29.734 29.700 0.136 0.000 0.741 602 E HN 0.453 nan 8.360 nan 0.000 0.458 603 N N -1.002 117.736 118.700 0.063 0.000 2.270 603 N HA 0.047 4.787 4.740 -0.000 0.000 0.198 603 N C 0.669 176.199 175.510 0.034 0.000 1.117 603 N CA 0.818 53.901 53.050 0.054 0.000 0.845 603 N CB 1.658 40.184 38.487 0.064 0.000 0.980 603 N HN 0.260 nan 8.380 nan 0.000 0.486 604 G N 0.805 109.615 108.800 0.017 0.000 2.179 604 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.220 604 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.220 604 G C 0.818 175.720 174.900 0.003 0.000 0.990 604 G CA -0.082 45.019 45.100 0.002 0.000 0.646 604 G HN 0.234 nan 8.290 nan 0.000 0.517 605 I N 0.637 121.215 120.570 0.013 0.000 2.400 605 I HA 0.313 4.483 4.170 -0.000 0.000 0.248 605 I C 1.378 177.492 176.117 -0.005 0.000 1.109 605 I CA 0.909 62.225 61.300 0.025 0.000 1.425 605 I CB 0.068 38.113 38.000 0.074 0.000 1.094 605 I HN 0.242 nan 8.210 nan 0.000 0.425 606 I N 2.167 122.714 120.570 -0.038 0.000 2.354 606 I HA 0.237 4.407 4.170 -0.000 0.000 0.286 606 I C -0.725 175.360 176.117 -0.054 0.000 1.007 606 I CA -0.344 60.931 61.300 -0.041 0.000 1.167 606 I CB 0.355 38.304 38.000 -0.085 0.000 1.320 606 I HN 0.140 nan 8.210 nan 0.000 0.458 607 N N 7.595 126.233 118.700 -0.104 0.000 2.319 607 N HA 0.343 5.083 4.740 -0.000 0.000 0.305 607 N C -2.133 173.109 175.510 -0.447 0.000 1.103 607 N CA -1.567 51.331 53.050 -0.252 0.000 0.815 607 N CB 2.077 40.474 38.487 -0.150 0.000 1.288 607 N HN 0.147 nan 8.380 nan 0.000 0.493 608 P HA -0.078 nan 4.420 nan 0.000 0.216 608 P C 0.865 178.004 177.300 -0.270 0.000 1.150 608 P CA 1.364 63.956 63.100 -0.846 0.000 0.843 608 P CB 0.394 31.694 31.700 -0.666 0.000 0.787 609 R N -1.115 119.277 120.500 -0.179 0.000 2.317 609 R HA 0.167 4.507 4.340 -0.000 0.000 0.208 609 R C 0.221 176.506 176.300 -0.025 0.000 0.914 609 R CA 0.070 56.129 56.100 -0.069 0.000 1.060 609 R CB -1.055 29.210 30.300 -0.058 0.000 1.015 609 R HN 0.310 nan 8.270 nan 0.000 0.498 610 D N 1.671 122.050 120.400 -0.035 0.000 2.362 610 D HA -0.073 4.567 4.640 -0.000 0.000 0.238 610 D C -0.070 176.262 176.300 0.052 0.000 1.212 610 D CA 0.140 54.140 54.000 0.000 0.000 0.902 610 D CB 0.551 41.346 40.800 -0.009 0.000 1.180 610 D HN 0.007 nan 8.370 nan 0.000 0.445 611 D N -0.046 120.379 120.400 0.042 0.000 2.434 611 D HA -0.084 4.556 4.640 -0.000 0.000 0.252 611 D C 1.316 177.646 176.300 0.050 0.000 1.185 611 D CA -0.220 53.821 54.000 0.069 0.000 0.886 611 D CB 0.015 40.814 40.800 -0.001 0.000 1.148 611 D HN 0.348 nan 8.370 nan 0.000 0.483 612 F N 3.706 123.677 119.950 0.035 0.000 2.192 612 F HA -0.162 4.365 4.527 -0.000 0.000 0.301 612 F C 1.910 177.734 175.800 0.039 0.000 1.079 612 F CA 1.115 59.144 58.000 0.048 0.000 1.303 612 F CB -0.284 38.753 39.000 0.062 0.000 1.024 612 F HN 0.357 nan 8.300 nan 0.000 0.494 613 K N 1.108 120.797 120.400 -1.186 0.000 1.991 613 K HA -0.029 4.291 4.320 -0.000 0.000 0.207 613 K C 2.421 178.810 176.600 -0.352 0.000 1.045 613 K CA 1.212 56.957 56.287 -0.903 0.000 0.937 613 K CB -0.612 31.410 32.500 -0.796 0.000 0.720 613 K HN 0.306 nan 8.250 nan 0.000 0.438 614 A N 1.654 124.333 122.820 -0.235 0.000 1.933 614 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 614 A C 2.171 179.710 177.584 -0.074 0.000 1.175 614 A CA 1.694 53.662 52.037 -0.116 0.000 0.628 614 A CB -0.621 18.334 19.000 -0.076 0.000 0.814 614 A HN 0.452 nan 8.150 nan 0.000 0.444 615 R N -0.346 120.114 120.500 -0.067 0.000 2.081 615 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 615 R C 2.247 178.524 176.300 -0.038 0.000 1.131 615 R CA 1.490 57.574 56.100 -0.027 0.000 0.960 615 R CB -0.418 29.892 30.300 0.017 0.000 0.856 615 R HN 0.419 nan 8.270 nan 0.000 0.436 616 A N 1.055 123.846 122.820 -0.047 0.000 1.972 616 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 616 A C 2.115 179.700 177.584 0.002 0.000 1.169 616 A CA 0.925 52.950 52.037 -0.019 0.000 0.635 616 A CB -0.404 18.603 19.000 0.011 0.000 0.810 616 A HN 0.234 nan 8.150 nan 0.000 0.446 617 R N -0.439 120.049 120.500 -0.020 0.000 2.096 617 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 617 R C 1.980 178.302 176.300 0.036 0.000 1.127 617 R CA 1.352 57.455 56.100 0.003 0.000 0.968 617 R CB -0.592 29.696 30.300 -0.020 0.000 0.861 617 R HN 0.641 nan 8.270 nan 0.000 0.440 618 I N 0.521 121.115 120.570 0.039 0.000 2.163 618 I HA -0.281 3.889 4.170 -0.000 0.000 0.240 618 I C 2.496 178.720 176.117 0.178 0.000 1.081 618 I CA 1.257 62.614 61.300 0.096 0.000 1.353 618 I CB -0.218 37.840 38.000 0.096 0.000 1.054 618 I HN 0.120 nan 8.210 nan 0.000 0.407 619 M N 0.180 119.832 119.600 0.086 0.000 2.149 619 M HA -0.204 4.275 4.480 -0.000 0.000 0.261 619 M C 2.420 178.851 176.300 0.219 0.000 1.064 619 M CA 1.967 57.293 55.300 0.043 0.000 1.102 619 M CB -0.501 31.886 32.600 -0.355 0.000 1.369 619 M HN 0.339 nan 8.290 nan 0.000 0.408 620 A N 0.366 123.294 122.820 0.181 0.000 1.850 620 A HA -0.111 4.209 4.320 -0.000 0.000 0.212 620 A C 1.711 179.384 177.584 0.147 0.000 1.208 620 A CA 1.475 53.635 52.037 0.205 0.000 0.609 620 A CB -0.527 18.562 19.000 0.148 0.000 0.860 620 A HN 0.342 nan 8.150 nan 0.000 0.448 621 D N 0.249 120.707 120.400 0.097 0.000 2.183 621 D HA -0.075 4.565 4.640 -0.000 0.000 0.203 621 D C 0.906 177.219 176.300 0.022 0.000 0.969 621 D CA 1.218 55.250 54.000 0.053 0.000 0.842 621 D CB -0.210 40.608 40.800 0.031 0.000 0.957 621 D HN 0.450 nan 8.370 nan 0.000 0.484 622 D N -1.188 119.225 120.400 0.022 0.000 2.388 622 D HA 0.007 4.647 4.640 -0.000 0.000 0.208 622 D C 0.767 176.880 176.300 -0.311 0.000 1.035 622 D CA 0.277 54.187 54.000 -0.150 0.000 0.875 622 D CB 0.364 41.046 40.800 -0.197 0.000 0.984 622 D HN 0.286 nan 8.370 nan 0.000 0.508 623 Y N -0.089 120.267 120.300 0.093 0.000 2.557 623 Y HA 0.312 4.862 4.550 -0.000 0.000 0.247 623 Y C 1.565 177.603 175.900 0.230 0.000 1.164 623 Y CA -0.039 58.151 58.100 0.150 0.000 1.218 623 Y CB 1.234 39.779 38.460 0.142 0.000 1.210 623 Y HN -0.025 nan 8.280 nan 0.000 0.529 624 G N -0.705 108.255 108.800 0.267 0.000 2.155 624 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.257 624 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.257 624 G C -0.003 175.045 174.900 0.246 0.000 0.983 624 G CA -0.126 45.096 45.100 0.204 0.000 0.676 624 G HN 0.276 nan 8.290 nan 0.000 0.528 625 W N 0.548 121.898 121.300 0.084 0.000 2.161 625 W HA 0.520 5.180 4.660 -0.000 0.000 0.344 625 W C 0.680 177.221 176.519 0.037 0.000 1.262 625 W CA 0.062 57.440 57.345 0.054 0.000 1.270 625 W CB 0.452 29.946 29.460 0.057 0.000 1.126 625 W HN 0.229 nan 8.180 nan 0.000 0.598 626 D N 0.852 121.377 120.400 0.209 0.000 2.317 626 D HA 0.045 4.685 4.640 -0.000 0.000 0.252 626 D C 0.858 177.283 176.300 0.208 0.000 1.174 626 D CA -0.085 53.995 54.000 0.134 0.000 0.866 626 D CB 1.466 42.292 40.800 0.044 0.000 1.127 626 D HN 0.188 nan 8.370 nan 0.000 0.467 627 V N 3.605 123.612 119.914 0.156 0.000 2.568 627 V HA -0.230 3.890 4.120 -0.000 0.000 0.253 627 V C 1.773 177.953 176.094 0.144 0.000 1.072 627 V CA 2.364 64.750 62.300 0.144 0.000 1.084 627 V CB -0.422 31.456 31.823 0.092 0.000 0.676 627 V HN 0.810 nan 8.190 nan 0.000 0.469 628 T N -0.532 114.096 114.554 0.123 0.000 2.812 628 T HA -0.128 4.222 4.350 -0.000 0.000 0.264 628 T C 1.588 176.371 174.700 0.138 0.000 1.042 628 T CA 1.458 63.628 62.100 0.116 0.000 1.140 628 T CB -0.337 68.575 68.868 0.074 0.000 0.870 628 T HN 0.517 nan 8.240 nan 0.000 0.445 629 D N 1.440 121.931 120.400 0.153 0.000 2.104 629 D HA -0.043 4.597 4.640 -0.000 0.000 0.194 629 D C 2.345 178.827 176.300 0.303 0.000 0.994 629 D CA 1.343 55.458 54.000 0.192 0.000 0.830 629 D CB -0.464 40.441 40.800 0.176 0.000 0.959 629 D HN 0.383 nan 8.370 nan 0.000 0.452 630 A N 0.982 124.016 122.820 0.357 0.000 1.877 630 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 630 A C 2.141 179.825 177.584 0.167 0.000 1.186 630 A CA 1.347 53.496 52.037 0.188 0.000 0.620 630 A CB -0.504 18.557 19.000 0.102 0.000 0.822 630 A HN 0.147 nan 8.150 nan 0.000 0.443 631 R N -0.307 120.325 120.500 0.220 0.000 2.193 631 R HA -0.057 4.283 4.340 -0.000 0.000 0.229 631 R C 0.926 177.421 176.300 0.324 0.000 1.110 631 R CA 1.309 57.632 56.100 0.371 0.000 0.988 631 R CB -0.174 30.352 30.300 0.377 0.000 0.871 631 R HN 0.406 nan 8.270 nan 0.000 0.458 632 K N 1.154 121.679 120.400 0.208 0.000 2.493 632 K HA 0.093 4.413 4.320 -0.000 0.000 0.207 632 K C -0.041 176.646 176.600 0.146 0.000 1.033 632 K CA -0.332 56.051 56.287 0.161 0.000 1.161 632 K CB 0.206 32.754 32.500 0.080 0.000 0.873 632 K HN 0.103 nan 8.250 nan 0.000 0.491 633 I N -1.871 118.786 120.570 0.145 0.000 2.618 633 I HA -0.004 4.165 4.170 -0.000 0.000 0.284 633 I C 0.531 176.795 176.117 0.244 0.000 1.146 633 I CA 0.022 61.369 61.300 0.079 0.000 1.425 633 I CB 0.471 38.423 38.000 -0.080 0.000 1.383 633 I HN 0.064 nan 8.210 nan 0.000 0.562 634 W N 6.195 127.453 121.300 -0.071 0.000 2.640 634 W HA 0.268 4.928 4.660 -0.000 0.000 0.268 634 W C 0.595 177.119 176.519 0.009 0.000 1.263 634 W CA 0.410 57.729 57.345 -0.044 0.000 1.344 634 W CB -0.248 29.165 29.460 -0.077 0.000 1.093 634 W HN 0.952 nan 8.180 nan 0.000 0.603 635 C N -3.716 115.715 119.300 0.217 0.000 3.231 635 C HA 0.592 5.052 4.460 -0.000 0.000 0.343 635 C C -0.752 174.401 174.990 0.272 0.000 1.349 635 C CA -1.940 57.250 59.018 0.287 0.000 1.209 635 C CB 0.385 28.287 27.740 0.271 0.000 1.475 635 C HN -0.079 nan 8.230 nan 0.000 0.460 636 F N 0.683 120.751 119.950 0.196 0.000 2.523 636 F HA 0.834 5.361 4.527 -0.000 0.000 0.329 636 F C 0.967 176.925 175.800 0.262 0.000 1.061 636 F CA 0.441 58.574 58.000 0.222 0.000 0.967 636 F CB 2.589 41.658 39.000 0.115 0.000 1.218 636 F HN 1.175 nan 8.300 nan 0.000 0.480 637 G N 1.282 110.316 108.800 0.390 0.000 2.698 637 G HA2 0.603 4.563 3.960 -0.000 0.000 0.293 637 G HA3 0.603 4.563 3.960 -0.000 0.000 0.293 637 G C -3.361 171.546 174.900 0.011 0.000 1.437 637 G CA -1.432 43.749 45.100 0.135 0.000 0.852 637 G HN 0.231 nan 8.290 nan 0.000 0.499 638 P HA 0.269 nan 4.420 nan 0.000 0.293 638 P C -0.595 176.722 177.300 0.029 0.000 1.304 638 P CA -0.016 63.066 63.100 -0.030 0.000 0.767 638 P CB 0.904 32.569 31.700 -0.059 0.000 1.247 639 D N -2.030 118.384 120.400 0.024 0.000 2.955 639 D HA -0.215 4.425 4.640 -0.000 0.000 0.226 639 D C 1.103 177.431 176.300 0.046 0.000 1.178 639 D CA 1.659 55.675 54.000 0.025 0.000 0.808 639 D CB -1.958 38.849 40.800 0.011 0.000 1.099 639 D HN 0.853 nan 8.370 nan 0.000 0.421 640 G N 1.044 109.899 108.800 0.091 0.000 2.189 640 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.267 640 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.267 640 G C 0.611 175.574 174.900 0.104 0.000 0.975 640 G CA 1.195 46.366 45.100 0.118 0.000 0.644 640 G HN 0.717 nan 8.290 nan 0.000 0.537 641 N N -0.340 118.411 118.700 0.084 0.000 2.116 641 N HA 0.381 5.120 4.740 -0.000 0.000 0.230 641 N C 0.935 176.513 175.510 0.113 0.000 1.326 641 N CA 0.849 53.907 53.050 0.012 0.000 0.867 641 N CB -0.215 38.235 38.487 -0.062 0.000 1.174 641 N HN 0.730 nan 8.380 nan 0.000 0.506 642 G N 1.022 109.922 108.800 0.166 0.000 2.634 642 G HA2 0.312 4.272 3.960 -0.000 0.000 0.255 642 G HA3 0.312 4.272 3.960 -0.000 0.000 0.255 642 G C -2.087 172.947 174.900 0.223 0.000 1.205 642 G CA -1.140 44.046 45.100 0.143 0.000 0.884 642 G HN 0.089 nan 8.290 nan 0.000 0.549 643 P HA 0.140 nan 4.420 nan 0.000 0.220 643 P C -0.875 176.497 177.300 0.119 0.000 1.778 643 P CA -0.010 63.176 63.100 0.144 0.000 0.912 643 P CB -0.198 31.560 31.700 0.098 0.000 1.861 644 N N 0.973 119.767 118.700 0.157 0.000 2.331 644 N HA 0.477 5.217 4.740 -0.000 0.000 0.280 644 N C -0.834 174.861 175.510 0.308 0.000 1.155 644 N CA -0.464 52.711 53.050 0.208 0.000 0.822 644 N CB 2.292 40.843 38.487 0.107 0.000 1.619 644 N HN 0.036 nan 8.380 nan 0.000 0.476 645 L N 0.494 121.894 121.223 0.294 0.000 2.393 645 L HA 0.639 4.979 4.340 -0.000 0.000 0.260 645 L C -0.746 175.982 176.870 -0.235 0.000 1.002 645 L CA -1.053 53.795 54.840 0.012 0.000 0.818 645 L CB 2.542 44.495 42.059 -0.177 0.000 1.369 645 L HN 0.109 nan 8.230 nan 0.000 0.412 646 V N 2.768 122.382 119.914 -0.500 0.000 2.409 646 V HA 0.480 4.600 4.120 -0.000 0.000 0.291 646 V C -0.588 175.333 176.094 -0.290 0.000 1.020 646 V CA -0.351 61.601 62.300 -0.580 0.000 0.848 646 V CB 1.775 33.164 31.823 -0.724 0.000 0.990 646 V HN 0.371 nan 8.190 nan 0.000 0.430 647 I N 3.841 124.257 120.570 -0.257 0.000 2.474 647 I HA 0.411 4.581 4.170 -0.000 0.000 0.294 647 I C -0.203 175.677 176.117 -0.396 0.000 1.005 647 I CA -0.549 60.625 61.300 -0.210 0.000 1.113 647 I CB 1.838 39.816 38.000 -0.036 0.000 1.289 647 I HN 0.620 nan 8.210 nan 0.000 0.436 648 D N 5.148 125.225 120.400 -0.538 0.000 2.313 648 D HA 0.249 4.888 4.640 -0.000 0.000 0.239 648 D C -0.320 175.795 176.300 -0.308 0.000 1.142 648 D CA 0.057 53.664 54.000 -0.656 0.000 0.847 648 D CB 0.802 41.015 40.800 -0.977 0.000 1.082 648 D HN 0.487 nan 8.370 nan 0.000 0.480 649 Q N 2.404 122.054 119.800 -0.251 0.000 2.141 649 Q HA 0.152 4.492 4.340 -0.000 0.000 0.248 649 Q C -0.088 175.840 176.000 -0.119 0.000 0.834 649 Q CA -0.365 55.350 55.803 -0.146 0.000 1.096 649 Q CB 0.809 29.473 28.738 -0.123 0.000 1.189 649 Q HN 0.626 nan 8.270 nan 0.000 0.471 650 T N -2.948 111.529 114.554 -0.129 0.000 2.913 650 T HA 0.352 4.702 4.350 -0.000 0.000 0.287 650 T C 0.767 175.439 174.700 -0.048 0.000 1.008 650 T CA -0.534 61.517 62.100 -0.081 0.000 1.067 650 T CB 2.071 70.899 68.868 -0.066 0.000 0.996 650 T HN 0.027 nan 8.240 nan 0.000 0.513 651 K N 0.967 121.344 120.400 -0.038 0.000 2.273 651 K HA 0.433 4.753 4.320 -0.000 0.000 0.206 651 K C 1.167 177.757 176.600 -0.018 0.000 1.072 651 K CA 0.314 56.585 56.287 -0.027 0.000 0.953 651 K CB 0.439 32.918 32.500 -0.035 0.000 1.043 651 K HN 0.672 nan 8.250 nan 0.000 0.477 652 A N 1.627 124.434 122.820 -0.021 0.000 3.129 652 A HA 0.323 4.643 4.320 -0.000 0.000 0.282 652 A C -0.731 176.841 177.584 -0.021 0.000 0.948 652 A CA -0.448 51.576 52.037 -0.022 0.000 1.027 652 A CB 0.406 19.388 19.000 -0.030 0.000 1.123 652 A HN -0.022 nan 8.150 nan 0.000 0.485 653 V N 1.584 121.498 119.914 0.001 0.000 2.385 653 V HA 0.060 4.179 4.120 -0.000 0.000 0.269 653 V C 1.307 177.393 176.094 -0.013 0.000 1.043 653 V CA 0.027 62.336 62.300 0.014 0.000 0.906 653 V CB 0.835 32.696 31.823 0.064 0.000 0.995 653 V HN 0.870 nan 8.190 nan 0.000 0.467 654 Q N 3.275 123.002 119.800 -0.121 0.000 2.002 654 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 654 Q C 0.232 176.058 176.000 -0.290 0.000 0.988 654 Q CA 1.981 57.588 55.803 -0.327 0.000 0.843 654 Q CB -0.034 28.287 28.738 -0.696 0.000 0.908 654 Q HN 0.867 nan 8.270 nan 0.000 0.420 655 Y N 0.054 120.422 120.300 0.113 0.000 2.867 655 Y HA 0.093 4.642 4.550 -0.000 0.000 0.351 655 Y C 0.910 176.821 175.900 0.018 0.000 1.046 655 Y CA -0.427 57.706 58.100 0.054 0.000 1.520 655 Y CB -0.064 38.383 38.460 -0.020 0.000 1.337 655 Y HN 0.123 nan 8.280 nan 0.000 0.525 656 L N 0.927 122.298 121.223 0.246 0.000 1.976 656 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 656 L C 2.918 179.906 176.870 0.197 0.000 1.071 656 L CA 2.025 57.023 54.840 0.263 0.000 0.746 656 L CB -0.739 41.502 42.059 0.304 0.000 0.890 656 L HN 0.569 nan 8.230 nan 0.000 0.432 657 H N -0.638 118.487 119.070 0.092 0.000 2.431 657 H HA -0.198 4.358 4.556 -0.000 0.000 0.297 657 H C 1.569 176.883 175.328 -0.023 0.000 1.115 657 H CA 1.927 57.971 56.048 -0.008 0.000 1.277 657 H CB -0.822 28.936 29.762 -0.005 0.000 1.372 657 H HN 0.588 nan 8.280 nan 0.000 0.516 658 E N 0.850 120.737 120.200 -0.521 0.000 2.358 658 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 658 E C 2.166 178.685 176.600 -0.136 0.000 1.010 658 E CA 0.903 57.102 56.400 -0.335 0.000 0.856 658 E CB 0.112 29.598 29.700 -0.356 0.000 0.795 658 E HN 0.760 nan 8.360 nan 0.000 0.504 659 I N -2.219 118.316 120.570 -0.059 0.000 3.968 659 I HA 0.146 4.316 4.170 -0.000 0.000 0.328 659 I C 2.044 178.166 176.117 0.008 0.000 1.290 659 I CA -0.123 61.185 61.300 0.013 0.000 1.163 659 I CB 0.174 38.231 38.000 0.094 0.000 1.024 659 I HN -0.165 nan 8.210 nan 0.000 0.413 660 K N 1.928 122.247 120.400 -0.135 0.000 2.034 660 K HA -0.250 4.070 4.320 -0.000 0.000 0.214 660 K C 1.507 177.981 176.600 -0.209 0.000 1.051 660 K CA 2.585 58.621 56.287 -0.418 0.000 0.931 660 K CB -0.121 31.903 32.500 -0.794 0.000 0.715 660 K HN 0.361 nan 8.250 nan 0.000 0.446 661 D N -0.071 120.242 120.400 -0.145 0.000 2.123 661 D HA -0.113 4.527 4.640 -0.000 0.000 0.196 661 D C 2.018 178.320 176.300 0.004 0.000 0.992 661 D CA 1.165 55.124 54.000 -0.069 0.000 0.833 661 D CB -0.221 40.544 40.800 -0.059 0.000 0.954 661 D HN 0.163 nan 8.370 nan 0.000 0.455 662 S N -0.125 115.588 115.700 0.021 0.000 2.368 662 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 662 S C 2.339 177.006 174.600 0.112 0.000 1.029 662 S CA 0.508 58.747 58.200 0.065 0.000 0.988 662 S CB -0.133 63.102 63.200 0.059 0.000 0.838 662 S HN 0.088 nan 8.310 nan 0.000 0.462 663 V N 1.489 121.487 119.914 0.141 0.000 2.295 663 V HA -0.138 3.982 4.120 -0.000 0.000 0.246 663 V C 2.326 178.550 176.094 0.217 0.000 1.049 663 V CA 1.403 63.826 62.300 0.204 0.000 1.024 663 V CB -0.810 31.228 31.823 0.358 0.000 0.648 663 V HN 0.322 nan 8.190 nan 0.000 0.447 664 V N 0.397 120.425 119.914 0.189 0.000 2.287 664 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 664 V C 2.754 178.981 176.094 0.221 0.000 1.053 664 V CA 2.193 64.613 62.300 0.200 0.000 1.027 664 V CB -1.202 30.685 31.823 0.106 0.000 0.646 664 V HN 0.565 nan 8.190 nan 0.000 0.447 665 A N -0.093 122.821 122.820 0.157 0.000 1.908 665 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 665 A C 2.401 180.121 177.584 0.226 0.000 1.181 665 A CA 2.270 54.397 52.037 0.151 0.000 0.627 665 A CB -0.809 18.252 19.000 0.102 0.000 0.818 665 A HN 0.608 nan 8.150 nan 0.000 0.445 666 A N -1.652 121.309 122.820 0.236 0.000 1.969 666 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 666 A C 1.995 179.716 177.584 0.228 0.000 1.169 666 A CA 1.523 53.702 52.037 0.237 0.000 0.635 666 A CB -0.622 18.459 19.000 0.136 0.000 0.810 666 A HN 0.578 nan 8.150 nan 0.000 0.445 667 F N 0.647 120.642 119.950 0.076 0.000 2.146 667 F HA -0.141 4.386 4.527 -0.000 0.000 0.298 667 F C 2.448 178.298 175.800 0.084 0.000 1.096 667 F CA 1.808 59.839 58.000 0.051 0.000 1.275 667 F CB -0.182 38.864 39.000 0.076 0.000 1.008 667 F HN 0.198 nan 8.300 nan 0.000 0.480 668 Q N -0.806 119.109 119.800 0.191 0.000 2.135 668 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 668 Q C 2.091 178.150 176.000 0.099 0.000 0.981 668 Q CA 1.526 57.379 55.803 0.083 0.000 0.856 668 Q CB -1.212 27.590 28.738 0.108 0.000 0.902 668 Q HN 0.604 nan 8.270 nan 0.000 0.425 669 W N 1.002 122.264 121.300 -0.064 0.000 2.407 669 W HA 0.054 4.714 4.660 -0.000 0.000 0.305 669 W C 2.213 178.666 176.519 -0.110 0.000 1.196 669 W CA 1.466 58.770 57.345 -0.069 0.000 1.311 669 W CB -0.719 28.715 29.460 -0.044 0.000 1.135 669 W HN 0.112 nan 8.180 nan 0.000 0.514 670 A N 0.074 122.859 122.820 -0.058 0.000 1.902 670 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 670 A C 2.014 179.488 177.584 -0.184 0.000 1.181 670 A CA 3.146 55.026 52.037 -0.261 0.000 0.623 670 A CB -1.456 17.285 19.000 -0.431 0.000 0.818 670 A HN 0.349 nan 8.150 nan 0.000 0.443 671 T N -2.685 111.659 114.554 -0.350 0.000 2.995 671 T HA -0.034 4.315 4.350 -0.000 0.000 0.269 671 T C 1.716 176.298 174.700 -0.197 0.000 1.091 671 T CA 1.567 63.446 62.100 -0.369 0.000 1.128 671 T CB -0.058 68.449 68.868 -0.602 0.000 0.891 671 T HN 0.341 nan 8.240 nan 0.000 0.492 672 K N 2.084 122.424 120.400 -0.100 0.000 2.116 672 K HA 0.100 4.420 4.320 -0.000 0.000 0.203 672 K C 1.126 177.701 176.600 -0.042 0.000 1.052 672 K CA 0.858 57.118 56.287 -0.045 0.000 0.952 672 K CB 0.079 32.591 32.500 0.020 0.000 0.729 672 K HN 0.569 nan 8.250 nan 0.000 0.446 673 E N 0.358 120.563 120.200 0.008 0.000 2.489 673 E HA 0.265 4.614 4.350 -0.000 0.000 0.232 673 E C -0.599 175.946 176.600 -0.092 0.000 0.990 673 E CA -0.631 55.754 56.400 -0.024 0.000 0.768 673 E CB 0.422 30.176 29.700 0.091 0.000 1.270 673 E HN 0.362 nan 8.360 nan 0.000 0.423 674 G N 3.549 112.212 108.800 -0.228 0.000 2.630 674 G HA2 0.041 4.001 3.960 -0.000 0.000 0.236 674 G HA3 0.041 4.001 3.960 -0.000 0.000 0.236 674 G C -1.361 173.235 174.900 -0.505 0.000 1.248 674 G CA -0.826 44.039 45.100 -0.392 0.000 0.844 674 G HN 0.468 nan 8.290 nan 0.000 0.588 675 P HA 0.016 nan 4.420 nan 0.000 0.236 675 P C 1.752 178.910 177.300 -0.236 0.000 1.177 675 P CA 0.387 63.066 63.100 -0.701 0.000 0.773 675 P CB 0.359 31.506 31.700 -0.922 0.000 0.878 676 I N -0.188 120.330 120.570 -0.086 0.000 2.163 676 I HA -0.141 4.029 4.170 -0.000 0.000 0.240 676 I C 1.687 177.988 176.117 0.307 0.000 1.081 676 I CA 1.843 63.248 61.300 0.174 0.000 1.353 676 I CB -0.309 37.894 38.000 0.339 0.000 1.054 676 I HN -0.042 nan 8.210 nan 0.000 0.407 677 F N -2.040 117.865 119.950 -0.075 0.000 2.939 677 F HA 0.518 5.045 4.527 -0.000 0.000 0.327 677 F C 0.651 176.423 175.800 -0.046 0.000 1.276 677 F CA -0.099 57.879 58.000 -0.036 0.000 0.973 677 F CB -0.202 38.806 39.000 0.014 0.000 1.460 677 F HN 0.016 nan 8.300 nan 0.000 0.499 678 G N 0.253 108.905 108.800 -0.247 0.000 2.157 678 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.248 678 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.248 678 G C -0.020 174.652 174.900 -0.381 0.000 0.979 678 G CA 0.142 45.069 45.100 -0.289 0.000 0.650 678 G HN 0.413 nan 8.290 nan 0.000 0.529 679 E N 0.773 120.622 120.200 -0.584 0.000 2.345 679 E HA 0.375 4.725 4.350 -0.000 0.000 0.259 679 E C 0.705 177.131 176.600 -0.291 0.000 1.117 679 E CA -0.430 55.696 56.400 -0.457 0.000 0.913 679 E CB 0.619 29.978 29.700 -0.568 0.000 1.057 679 E HN 0.592 nan 8.360 nan 0.000 0.432 680 E N 0.850 120.917 120.200 -0.220 0.000 2.404 680 E HA 0.077 4.427 4.350 -0.000 0.000 0.261 680 E C 0.122 176.599 176.600 -0.205 0.000 1.074 680 E CA 0.079 56.364 56.400 -0.192 0.000 0.917 680 E CB 0.650 30.253 29.700 -0.162 0.000 0.965 680 E HN 0.235 nan 8.360 nan 0.000 0.433 681 M N 1.696 121.184 119.600 -0.188 0.000 2.227 681 M HA 0.335 4.815 4.480 -0.000 0.000 0.316 681 M C 0.154 176.378 176.300 -0.127 0.000 1.144 681 M CA 0.178 55.398 55.300 -0.133 0.000 1.121 681 M CB 0.951 33.476 32.600 -0.125 0.000 1.440 681 M HN 0.380 nan 8.290 nan 0.000 0.473 682 R N -0.632 119.827 120.500 -0.067 0.000 2.561 682 R HA 0.260 4.600 4.340 -0.000 0.000 0.266 682 R C -0.871 175.432 176.300 0.006 0.000 1.091 682 R CA -0.126 55.922 56.100 -0.087 0.000 0.927 682 R CB 1.373 31.519 30.300 -0.257 0.000 1.240 682 R HN 0.786 nan 8.270 nan 0.000 0.449 683 S N 0.480 116.203 115.700 0.039 0.000 3.635 683 S HA -0.126 4.344 4.470 -0.000 0.000 0.328 683 S C -0.501 174.157 174.600 0.096 0.000 1.135 683 S CA 0.949 59.193 58.200 0.073 0.000 0.942 683 S CB -1.191 62.045 63.200 0.060 0.000 0.930 683 S HN 0.371 nan 8.310 nan 0.000 0.512 684 V N 1.565 121.557 119.914 0.129 0.000 2.370 684 V HA 0.544 4.664 4.120 -0.000 0.000 0.283 684 V C 0.426 176.643 176.094 0.206 0.000 1.023 684 V CA -0.586 61.817 62.300 0.171 0.000 0.857 684 V CB 1.685 33.657 31.823 0.249 0.000 0.985 684 V HN 0.435 nan 8.190 nan 0.000 0.443 685 R N 3.789 124.377 120.500 0.147 0.000 2.514 685 R HA 0.779 5.118 4.340 -0.000 0.000 0.301 685 R C -1.785 174.561 176.300 0.077 0.000 0.962 685 R CA -0.417 55.756 56.100 0.122 0.000 0.882 685 R CB 1.936 32.274 30.300 0.063 0.000 1.143 685 R HN 0.510 nan 8.270 nan 0.000 0.452 686 V N 4.798 124.730 119.914 0.030 0.000 2.444 686 V HA 0.341 4.461 4.120 -0.000 0.000 0.294 686 V C -0.826 175.196 176.094 -0.120 0.000 1.022 686 V CA -0.995 61.291 62.300 -0.024 0.000 0.850 686 V CB 1.821 33.639 31.823 -0.008 0.000 0.992 686 V HN 0.798 nan 8.190 nan 0.000 0.426 687 N N 5.071 123.708 118.700 -0.105 0.000 2.424 687 N HA 0.502 5.242 4.740 -0.000 0.000 0.271 687 N C -0.575 174.854 175.510 -0.135 0.000 0.985 687 N CA -0.336 52.630 53.050 -0.139 0.000 0.921 687 N CB 2.384 40.798 38.487 -0.122 0.000 1.149 687 N HN 0.552 nan 8.380 nan 0.000 0.492 688 I N 3.310 123.759 120.570 -0.201 0.000 2.363 688 I HA 0.054 4.224 4.170 -0.000 0.000 0.292 688 I C 1.570 177.608 176.117 -0.130 0.000 1.075 688 I CA -0.169 61.026 61.300 -0.174 0.000 1.333 688 I CB 0.749 38.572 38.000 -0.295 0.000 1.415 688 I HN 0.384 nan 8.210 nan 0.000 0.502 689 L N 4.348 125.541 121.223 -0.051 0.000 2.162 689 L HA 0.168 4.508 4.340 -0.000 0.000 0.205 689 L C 0.298 177.141 176.870 -0.046 0.000 1.086 689 L CA 0.821 55.633 54.840 -0.047 0.000 0.778 689 L CB -0.098 41.950 42.059 -0.018 0.000 0.928 689 L HN 0.640 nan 8.230 nan 0.000 0.446 690 D N -1.958 118.456 120.400 0.023 0.000 2.685 690 D HA 0.412 5.052 4.640 -0.000 0.000 0.236 690 D C -1.530 174.879 176.300 0.182 0.000 1.233 690 D CA -0.217 53.797 54.000 0.024 0.000 0.760 690 D CB 2.212 42.923 40.800 -0.149 0.000 1.410 690 D HN -0.292 nan 8.370 nan 0.000 0.439 691 V N 1.448 121.444 119.914 0.137 0.000 2.686 691 V HA 0.678 4.798 4.120 -0.000 0.000 0.306 691 V C -0.351 175.840 176.094 0.161 0.000 1.065 691 V CA -0.756 61.646 62.300 0.170 0.000 0.894 691 V CB 1.870 33.766 31.823 0.122 0.000 1.004 691 V HN 0.749 nan 8.190 nan 0.000 0.424 692 T N 3.411 118.079 114.554 0.190 0.000 2.791 692 T HA 0.828 5.177 4.350 -0.000 0.000 0.288 692 T C -0.725 174.069 174.700 0.157 0.000 0.999 692 T CA -0.513 61.686 62.100 0.164 0.000 0.952 692 T CB 0.851 69.831 68.868 0.186 0.000 0.938 692 T HN 0.359 nan 8.240 nan 0.000 0.444 693 L N 1.986 123.310 121.223 0.168 0.000 2.313 693 L HA 0.594 4.933 4.340 -0.000 0.000 0.268 693 L C 0.224 177.215 176.870 0.202 0.000 1.010 693 L CA -1.555 53.397 54.840 0.187 0.000 0.814 693 L CB 1.382 43.566 42.059 0.208 0.000 1.304 693 L HN 0.713 nan 8.230 nan 0.000 0.441 694 H N -0.053 119.076 119.070 0.100 0.000 2.562 694 H HA 0.289 4.845 4.556 -0.000 0.000 0.352 694 H C 0.651 175.999 175.328 0.034 0.000 1.125 694 H CA 0.378 56.469 56.048 0.071 0.000 1.379 694 H CB 1.800 31.561 29.762 -0.001 0.000 1.464 694 H HN 0.664 nan 8.280 nan 0.000 0.563 695 A N 3.504 125.956 122.820 -0.614 0.000 1.933 695 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 695 A C 0.347 177.707 177.584 -0.373 0.000 1.175 695 A CA 1.442 53.281 52.037 -0.329 0.000 0.628 695 A CB -0.264 18.569 19.000 -0.277 0.000 0.814 695 A HN 0.809 nan 8.150 nan 0.000 0.444 696 D N -0.319 119.920 120.400 -0.268 0.000 2.249 696 D HA 0.463 5.103 4.640 -0.000 0.000 0.246 696 D C 0.989 177.275 176.300 -0.023 0.000 1.114 696 D CA 0.503 54.475 54.000 -0.047 0.000 0.854 696 D CB 1.541 42.407 40.800 0.111 0.000 1.132 696 D HN 0.171 nan 8.370 nan 0.000 0.461 697 A N 3.468 126.198 122.820 -0.150 0.000 2.084 697 A HA -0.145 4.175 4.320 -0.000 0.000 0.221 697 A C 1.267 178.809 177.584 -0.070 0.000 1.161 697 A CA 0.570 52.527 52.037 -0.134 0.000 0.653 697 A CB -0.371 18.541 19.000 -0.147 0.000 0.802 697 A HN 0.699 nan 8.150 nan 0.000 0.457 701 G N -0.568 108.221 108.800 -0.018 0.000 2.572 701 G HA2 0.365 4.325 3.960 -0.000 0.000 0.261 701 G HA3 0.365 4.325 3.960 -0.000 0.000 0.261 701 G C 1.161 176.065 174.900 0.008 0.000 1.197 701 G CA 0.101 45.194 45.100 -0.013 0.000 0.870 701 G HN 0.133 nan 8.290 nan 0.000 0.548 702 G N 0.328 109.135 108.800 0.012 0.000 2.505 702 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.220 702 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.220 702 G C 1.797 176.726 174.900 0.049 0.000 1.145 702 G CA 1.438 46.558 45.100 0.033 0.000 0.761 702 G HN 1.053 nan 8.290 nan 0.000 0.571 703 G N -0.918 107.904 108.800 0.037 0.000 2.527 703 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.219 703 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.219 703 G C 1.774 176.702 174.900 0.046 0.000 1.117 703 G CA 1.098 46.226 45.100 0.047 0.000 0.759 703 G HN 0.426 nan 8.290 nan 0.000 0.556 704 Q N -0.652 119.170 119.800 0.036 0.000 2.481 704 Q HA 0.268 4.608 4.340 -0.000 0.000 0.219 704 Q C 2.662 178.686 176.000 0.041 0.000 0.920 704 Q CA 0.157 55.980 55.803 0.034 0.000 0.915 704 Q CB 0.141 28.893 28.738 0.023 0.000 1.057 704 Q HN 0.538 nan 8.270 nan 0.000 0.581 705 I N 0.598 121.196 120.570 0.047 0.000 2.584 705 I HA -0.112 4.058 4.170 -0.000 0.000 0.255 705 I C 2.118 178.273 176.117 0.062 0.000 1.145 705 I CA 0.515 61.847 61.300 0.054 0.000 1.462 705 I CB -0.050 37.987 38.000 0.061 0.000 1.102 705 I HN 0.071 nan 8.210 nan 0.000 0.433 706 I N 1.362 121.980 120.570 0.081 0.000 2.226 706 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 706 I C -0.412 175.747 176.117 0.070 0.000 1.100 706 I CA 1.675 63.045 61.300 0.116 0.000 1.374 706 I CB -1.461 36.649 38.000 0.183 0.000 1.057 706 I HN 0.154 nan 8.210 nan 0.000 0.413 707 P HA -0.088 nan 4.420 nan 0.000 0.217 707 P C 1.602 178.875 177.300 -0.045 0.000 1.151 707 P CA 1.413 64.500 63.100 -0.021 0.000 0.828 707 P CB -0.063 31.647 31.700 0.018 0.000 0.788 708 T N -0.383 114.165 114.554 -0.011 0.000 2.674 708 T HA -0.203 4.146 4.350 -0.000 0.000 0.265 708 T C 1.752 176.431 174.700 -0.035 0.000 1.039 708 T CA 1.665 63.753 62.100 -0.019 0.000 1.150 708 T CB -0.787 68.081 68.868 -0.001 0.000 0.864 708 T HN 0.039 nan 8.240 nan 0.000 0.427 709 M N 1.408 120.997 119.600 -0.017 0.000 2.117 709 M HA 0.007 4.487 4.480 -0.000 0.000 0.262 709 M C 2.172 178.414 176.300 -0.097 0.000 1.065 709 M CA 1.527 56.817 55.300 -0.016 0.000 1.114 709 M CB -0.449 32.178 32.600 0.045 0.000 1.361 709 M HN 0.087 nan 8.290 nan 0.000 0.408 710 R N -0.744 119.642 120.500 -0.191 0.000 2.092 710 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 710 R C 2.490 178.463 176.300 -0.545 0.000 1.119 710 R CA 1.576 57.387 56.100 -0.483 0.000 0.970 710 R CB -0.301 29.625 30.300 -0.622 0.000 0.864 710 R HN 0.441 nan 8.270 nan 0.000 0.440 711 R N -0.128 120.241 120.500 -0.218 0.000 2.075 711 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 711 R C 2.102 178.422 176.300 0.034 0.000 1.126 711 R CA 1.386 57.496 56.100 0.016 0.000 0.963 711 R CB -0.229 30.121 30.300 0.083 0.000 0.858 711 R HN 0.312 nan 8.270 nan 0.000 0.435 712 A N -0.176 122.631 122.820 -0.022 0.000 1.898 712 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 712 A C 2.138 179.733 177.584 0.019 0.000 1.181 712 A CA 1.914 53.956 52.037 0.010 0.000 0.620 712 A CB -0.809 18.175 19.000 -0.025 0.000 0.819 712 A HN 0.400 nan 8.150 nan 0.000 0.442 713 T N -0.949 113.575 114.554 -0.051 0.000 2.708 713 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 713 T C 1.766 176.500 174.700 0.058 0.000 1.037 713 T CA 1.730 63.829 62.100 -0.002 0.000 1.146 713 T CB -0.460 68.385 68.868 -0.040 0.000 0.865 713 T HN 0.499 nan 8.240 nan 0.000 0.435 714 Y N 1.553 121.764 120.300 -0.149 0.000 2.165 714 Y HA -0.033 4.517 4.550 -0.000 0.000 0.286 714 Y C 2.711 178.498 175.900 -0.189 0.000 1.155 714 Y CA 0.149 58.042 58.100 -0.346 0.000 1.164 714 Y CB -1.315 36.639 38.460 -0.843 0.000 0.978 714 Y HN 0.220 nan 8.280 nan 0.000 0.513 715 A N -0.149 122.736 122.820 0.109 0.000 1.898 715 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 715 A C 2.677 180.389 177.584 0.214 0.000 1.181 715 A CA 1.658 53.857 52.037 0.270 0.000 0.620 715 A CB -1.380 17.849 19.000 0.381 0.000 0.819 715 A HN 0.438 nan 8.150 nan 0.000 0.442 716 G N -1.313 107.582 108.800 0.159 0.000 2.422 716 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.218 716 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.218 716 G C 1.453 176.409 174.900 0.093 0.000 1.146 716 G CA 1.078 46.233 45.100 0.093 0.000 0.769 716 G HN 0.480 nan 8.290 nan 0.000 0.547 717 F N 0.801 120.766 119.950 0.025 0.000 2.051 717 F HA -0.057 4.470 4.527 -0.000 0.000 0.296 717 F C 2.358 178.165 175.800 0.011 0.000 1.122 717 F CA 1.052 59.065 58.000 0.023 0.000 1.201 717 F CB -0.186 38.841 39.000 0.044 0.000 0.978 717 F HN 0.008 nan 8.300 nan 0.000 0.472 718 L N 0.479 121.883 121.223 0.302 0.000 2.187 718 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 718 L C 2.124 179.006 176.870 0.020 0.000 1.100 718 L CA 1.467 56.436 54.840 0.214 0.000 0.765 718 L CB -1.372 40.903 42.059 0.360 0.000 0.904 718 L HN 0.306 nan 8.230 nan 0.000 0.437 719 L N -1.058 120.104 121.223 -0.101 0.000 2.599 719 L HA 0.039 4.379 4.340 -0.000 0.000 0.230 719 L C 1.400 178.109 176.870 -0.268 0.000 1.141 719 L CA 0.219 54.846 54.840 -0.355 0.000 0.877 719 L CB -0.221 41.559 42.059 -0.465 0.000 1.009 719 L HN 0.193 nan 8.230 nan 0.000 0.447 720 A N -0.750 121.931 122.820 -0.231 0.000 2.842 720 A HA 0.162 4.482 4.320 -0.000 0.000 0.298 720 A C 0.120 177.560 177.584 -0.240 0.000 1.293 720 A CA -0.312 51.586 52.037 -0.232 0.000 0.959 720 A CB -0.246 18.613 19.000 -0.235 0.000 1.119 720 A HN 0.338 nan 8.150 nan 0.000 0.564 721 D N -0.238 120.047 120.400 -0.192 0.000 3.082 721 D HA -0.096 4.543 4.640 -0.000 0.000 0.234 721 D C -2.631 173.557 176.300 -0.187 0.000 1.159 721 D CA 0.391 54.306 54.000 -0.142 0.000 0.875 721 D CB -0.749 39.986 40.800 -0.109 0.000 0.946 721 D HN 0.313 nan 8.370 nan 0.000 0.411 722 P HA 0.249 nan 4.420 nan 0.000 0.266 722 P C -0.441 176.821 177.300 -0.063 0.000 1.195 722 P CA 0.221 63.174 63.100 -0.246 0.000 0.768 722 P CB 0.686 32.350 31.700 -0.060 0.000 0.838 723 K N 1.676 122.069 120.400 -0.011 0.000 2.536 723 K HA 0.631 4.951 4.320 -0.000 0.000 0.269 723 K C -0.749 175.937 176.600 0.142 0.000 0.965 723 K CA -0.753 55.568 56.287 0.057 0.000 0.860 723 K CB 1.501 34.018 32.500 0.029 0.000 1.423 723 K HN 0.449 nan 8.250 nan 0.000 0.438 724 I N -1.778 118.882 120.570 0.151 0.000 2.648 724 I HA 0.547 4.717 4.170 -0.000 0.000 0.304 724 I C -0.876 175.382 176.117 0.234 0.000 1.009 724 I CA -0.699 60.733 61.300 0.221 0.000 1.114 724 I CB 2.024 40.168 38.000 0.239 0.000 1.293 724 I HN 0.344 nan 8.210 nan 0.000 0.449 725 Q N 3.923 123.892 119.800 0.282 0.000 2.309 725 Q HA 0.394 4.734 4.340 -0.000 0.000 0.264 725 Q C -1.126 175.221 176.000 0.579 0.000 1.008 725 Q CA -0.783 55.226 55.803 0.343 0.000 0.853 725 Q CB 2.606 31.491 28.738 0.245 0.000 1.314 725 Q HN 0.761 nan 8.270 nan 0.000 0.448 726 E N 1.596 122.118 120.200 0.538 0.000 2.212 726 E HA 0.572 4.922 4.350 -0.000 0.000 0.270 726 E C -2.677 174.054 176.600 0.218 0.000 0.956 726 E CA -2.427 54.233 56.400 0.433 0.000 0.825 726 E CB 1.511 31.416 29.700 0.343 0.000 1.167 726 E HN 0.153 nan 8.360 nan 0.000 0.400 727 P HA 0.129 nan 4.420 nan 0.000 0.278 727 P C -1.025 176.027 177.300 -0.414 0.000 1.238 727 P CA -0.411 62.368 63.100 -0.534 0.000 0.794 727 P CB 0.976 32.230 31.700 -0.743 0.000 0.955 728 V N 3.719 123.322 119.914 -0.518 0.000 2.638 728 V HA 0.375 4.495 4.120 -0.000 0.000 0.306 728 V C -0.418 175.365 176.094 -0.520 0.000 1.052 728 V CA -0.465 61.498 62.300 -0.561 0.000 0.885 728 V CB 1.344 32.705 31.823 -0.770 0.000 0.999 728 V HN 0.340 nan 8.190 nan 0.000 0.424 729 F N 3.779 123.569 119.950 -0.266 0.000 2.371 729 F HA 0.600 5.127 4.527 -0.000 0.000 0.329 729 F C 0.057 175.816 175.800 -0.068 0.000 1.107 729 F CA -1.028 56.868 58.000 -0.174 0.000 1.137 729 F CB 1.465 40.380 39.000 -0.141 0.000 1.214 729 F HN 0.301 nan 8.300 nan 0.000 0.536 730 L N 3.935 125.280 121.223 0.204 0.000 2.265 730 L HA 0.579 4.919 4.340 -0.000 0.000 0.289 730 L C -1.054 175.829 176.870 0.022 0.000 1.033 730 L CA -0.500 54.442 54.840 0.170 0.000 0.814 730 L CB 0.998 43.141 42.059 0.140 0.000 1.203 730 L HN 0.352 nan 8.230 nan 0.000 0.423 731 V N 6.028 125.929 119.914 -0.022 0.000 2.417 731 V HA 0.500 4.620 4.120 -0.000 0.000 0.291 731 V C -0.505 175.561 176.094 -0.047 0.000 1.024 731 V CA -0.399 61.852 62.300 -0.082 0.000 0.861 731 V CB 1.640 33.375 31.823 -0.146 0.000 0.985 731 V HN 0.927 nan 8.190 nan 0.000 0.436 732 E N 6.408 126.591 120.200 -0.028 0.000 2.145 732 E HA 0.526 4.876 4.350 -0.000 0.000 0.270 732 E C -1.308 175.312 176.600 0.032 0.000 0.906 732 E CA -0.602 55.796 56.400 -0.002 0.000 0.761 732 E CB 1.438 31.136 29.700 -0.003 0.000 1.116 732 E HN 0.738 nan 8.360 nan 0.000 0.408 733 I N 3.852 124.447 120.570 0.040 0.000 2.418 733 I HA 0.218 4.387 4.170 -0.000 0.000 0.287 733 I C -0.524 175.638 176.117 0.074 0.000 1.008 733 I CA -0.865 60.474 61.300 0.065 0.000 1.104 733 I CB 1.872 39.900 38.000 0.046 0.000 1.264 733 I HN 0.400 nan 8.210 nan 0.000 0.438 734 Q N 5.354 125.224 119.800 0.116 0.000 2.257 734 Q HA 0.676 5.016 4.340 -0.000 0.000 0.255 734 Q C -0.822 175.275 176.000 0.162 0.000 0.920 734 Q CA -0.148 55.732 55.803 0.129 0.000 0.927 734 Q CB 1.873 30.680 28.738 0.115 0.000 1.229 734 Q HN 0.844 nan 8.270 nan 0.000 0.433 735 C N 0.453 119.841 119.300 0.146 0.000 3.231 735 C HA 0.727 5.187 4.460 -0.000 0.000 0.343 735 C C -2.947 172.138 174.990 0.158 0.000 1.349 735 C CA -1.938 57.152 59.018 0.120 0.000 1.209 735 C CB 0.746 28.495 27.740 0.015 0.000 1.475 735 C HN 0.565 nan 8.230 nan 0.000 0.460 736 P HA 0.320 nan 4.420 nan 0.000 0.277 736 P C 0.716 178.055 177.300 0.065 0.000 1.240 736 P CA 0.091 63.282 63.100 0.151 0.000 0.798 736 P CB 0.671 32.422 31.700 0.084 0.000 0.979 737 E N 1.901 122.154 120.200 0.088 0.000 2.045 737 E HA -0.376 3.973 4.350 -0.000 0.000 0.212 737 E C 1.367 177.829 176.600 -0.230 0.000 1.039 737 E CA 2.127 58.333 56.400 -0.324 0.000 0.860 737 E CB -0.350 29.287 29.700 -0.104 0.000 0.776 737 E HN 0.395 nan 8.360 nan 0.000 0.467 738 Q N 0.142 119.884 119.800 -0.096 0.000 2.389 738 Q HA -0.146 4.194 4.340 -0.000 0.000 0.213 738 Q C 1.674 177.629 176.000 -0.075 0.000 0.989 738 Q CA 1.723 57.482 55.803 -0.074 0.000 0.891 738 Q CB -0.483 28.241 28.738 -0.025 0.000 0.923 738 Q HN 0.399 nan 8.270 nan 0.000 0.455 739 A N 0.080 122.845 122.820 -0.092 0.000 2.044 739 A HA 0.101 4.421 4.320 -0.000 0.000 0.213 739 A C 2.141 179.634 177.584 -0.152 0.000 1.169 739 A CA 0.364 52.337 52.037 -0.106 0.000 0.724 739 A CB -0.248 18.690 19.000 -0.104 0.000 0.840 739 A HN 0.199 nan 8.150 nan 0.000 0.463 740 V N 0.455 120.249 119.914 -0.199 0.000 2.370 740 V HA -0.294 3.826 4.120 -0.000 0.000 0.252 740 V C 2.748 178.694 176.094 -0.246 0.000 1.068 740 V CA 2.065 64.202 62.300 -0.272 0.000 1.061 740 V CB -1.376 30.247 31.823 -0.333 0.000 0.656 740 V HN 0.605 nan 8.190 nan 0.000 0.455 741 G N -0.174 108.568 108.800 -0.096 0.000 2.450 741 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.220 741 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.220 741 G C 1.552 176.442 174.900 -0.017 0.000 1.130 741 G CA 0.934 46.046 45.100 0.020 0.000 0.760 741 G HN 0.615 nan 8.290 nan 0.000 0.557 742 G N 0.860 109.606 108.800 -0.090 0.000 2.421 742 G HA2 -0.090 3.869 3.960 -0.000 0.000 0.217 742 G HA3 -0.090 3.869 3.960 -0.000 0.000 0.217 742 G C 1.726 176.554 174.900 -0.120 0.000 1.143 742 G CA 0.619 45.663 45.100 -0.094 0.000 0.784 742 G HN 0.450 nan 8.290 nan 0.000 0.541 743 I N -0.319 120.123 120.570 -0.213 0.000 2.163 743 I HA -0.219 3.951 4.170 -0.000 0.000 0.243 743 I C 2.418 178.432 176.117 -0.172 0.000 1.085 743 I CA 1.126 62.280 61.300 -0.243 0.000 1.347 743 I CB -0.323 37.434 38.000 -0.405 0.000 1.044 743 I HN 0.119 nan 8.210 nan 0.000 0.408 744 Y N 0.202 120.504 120.300 0.003 0.000 2.242 744 Y HA -0.217 4.333 4.550 -0.000 0.000 0.291 744 Y C 2.998 178.911 175.900 0.021 0.000 1.137 744 Y CA 1.342 59.451 58.100 0.014 0.000 1.181 744 Y CB -1.071 37.386 38.460 -0.006 0.000 0.989 744 Y HN 0.124 nan 8.280 nan 0.000 0.527 745 S N -0.273 115.507 115.700 0.133 0.000 2.359 745 S HA -0.161 4.308 4.470 -0.000 0.000 0.224 745 S C 2.168 176.812 174.600 0.073 0.000 1.035 745 S CA 1.646 59.897 58.200 0.084 0.000 1.018 745 S CB -0.705 62.521 63.200 0.042 0.000 0.876 745 S HN 0.180 nan 8.310 nan 0.000 0.448 746 V N 2.335 122.280 119.914 0.051 0.000 2.270 746 V HA -0.129 3.991 4.120 -0.000 0.000 0.245 746 V C 2.482 178.670 176.094 0.156 0.000 1.043 746 V CA 1.887 64.230 62.300 0.070 0.000 1.014 746 V CB -0.868 30.952 31.823 -0.005 0.000 0.645 746 V HN 0.469 nan 8.190 nan 0.000 0.447 747 L N 0.567 121.902 121.223 0.187 0.000 2.021 747 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 747 L C 2.476 179.432 176.870 0.144 0.000 1.074 747 L CA 1.813 56.767 54.840 0.189 0.000 0.760 747 L CB -0.876 41.288 42.059 0.175 0.000 0.889 747 L HN 0.420 nan 8.230 nan 0.000 0.433 748 N N 0.285 119.065 118.700 0.133 0.000 2.364 748 N HA -0.153 4.587 4.740 -0.000 0.000 0.183 748 N C 1.520 177.084 175.510 0.090 0.000 1.022 748 N CA 1.115 54.227 53.050 0.103 0.000 0.883 748 N CB -0.145 38.397 38.487 0.092 0.000 0.965 748 N HN 0.452 nan 8.380 nan 0.000 0.438 749 K N 0.515 120.973 120.400 0.096 0.000 2.459 749 K HA 0.101 4.421 4.320 -0.000 0.000 0.193 749 K C 0.256 176.913 176.600 0.095 0.000 1.030 749 K CA 0.560 56.899 56.287 0.086 0.000 1.026 749 K CB 0.354 32.903 32.500 0.081 0.000 0.809 749 K HN 0.113 nan 8.250 nan 0.000 0.504 750 K N 0.823 121.288 120.400 0.109 0.000 3.239 750 K HA 0.244 4.563 4.320 -0.000 0.000 0.204 750 K C -0.761 175.887 176.600 0.080 0.000 1.126 750 K CA -0.243 56.105 56.287 0.102 0.000 0.948 750 K CB 0.894 33.477 32.500 0.138 0.000 0.818 750 K HN 0.007 nan 8.250 nan 0.000 0.480 751 R N -0.061 120.486 120.500 0.077 0.000 3.591 751 R HA -0.195 4.144 4.340 -0.000 0.000 0.268 751 R C 0.600 176.948 176.300 0.080 0.000 1.102 751 R CA 0.671 56.815 56.100 0.073 0.000 0.732 751 R CB -1.890 28.450 30.300 0.065 0.000 1.117 751 R HN 0.537 nan 8.270 nan 0.000 0.472 752 G N 0.240 109.093 108.800 0.088 0.000 2.621 752 G HA2 0.311 4.271 3.960 -0.000 0.000 0.271 752 G HA3 0.311 4.271 3.960 -0.000 0.000 0.271 752 G C -0.490 174.479 174.900 0.115 0.000 1.236 752 G CA -0.292 44.866 45.100 0.096 0.000 0.958 752 G HN 0.193 nan 8.290 nan 0.000 0.512 753 Q N -0.644 119.231 119.800 0.126 0.000 2.313 753 Q HA 0.361 4.700 4.340 -0.000 0.000 0.255 753 Q C -1.244 174.803 176.000 0.079 0.000 0.944 753 Q CA -0.623 55.254 55.803 0.123 0.000 0.881 753 Q CB 2.015 30.856 28.738 0.172 0.000 1.375 753 Q HN 0.434 nan 8.270 nan 0.000 0.422 754 V N 3.740 123.708 119.914 0.090 0.000 2.811 754 V HA 0.107 4.227 4.120 -0.000 0.000 0.302 754 V C 0.755 176.840 176.094 -0.015 0.000 1.063 754 V CA 0.050 62.399 62.300 0.082 0.000 1.088 754 V CB 1.232 33.173 31.823 0.198 0.000 0.982 754 V HN 0.807 nan 8.190 nan 0.000 0.485 755 V N 1.873 121.739 119.914 -0.081 0.000 2.996 755 V HA 0.218 4.338 4.120 -0.000 0.000 0.235 755 V C 0.516 176.575 176.094 -0.059 0.000 1.205 755 V CA 1.086 63.298 62.300 -0.146 0.000 1.225 755 V CB 1.104 32.703 31.823 -0.372 0.000 0.995 755 V HN 0.978 nan 8.190 nan 0.000 0.484 756 S N -0.233 115.452 115.700 -0.025 0.000 2.535 756 S HA 0.543 5.013 4.470 -0.000 0.000 0.272 756 S C -1.159 173.477 174.600 0.061 0.000 1.149 756 S CA -0.581 57.627 58.200 0.015 0.000 0.888 756 S CB 2.360 65.556 63.200 -0.005 0.000 1.110 756 S HN 0.334 nan 8.310 nan 0.000 0.463 757 E N 2.115 122.372 120.200 0.094 0.000 2.346 757 E HA 0.311 4.660 4.350 -0.000 0.000 0.239 757 E C -0.184 176.506 176.600 0.150 0.000 0.943 757 E CA -0.375 56.118 56.400 0.155 0.000 0.751 757 E CB 0.571 30.396 29.700 0.208 0.000 1.241 757 E HN 0.793 nan 8.360 nan 0.000 0.423 758 E N 2.932 123.200 120.200 0.113 0.000 2.664 758 E HA 0.475 4.824 4.350 -0.000 0.000 0.245 758 E C -0.154 176.427 176.600 -0.031 0.000 1.016 758 E CA -0.860 55.568 56.400 0.045 0.000 0.963 758 E CB 1.183 30.887 29.700 0.008 0.000 1.360 758 E HN 0.327 nan 8.360 nan 0.000 0.472 764 P HA 0.324 nan 4.420 nan 0.000 0.317 764 P C 0.682 177.923 177.300 -0.099 0.000 1.427 764 P CA -0.366 62.681 63.100 -0.087 0.000 0.820 764 P CB 0.349 32.001 31.700 -0.080 0.000 1.894 765 L N -2.502 118.681 121.223 -0.067 0.000 2.985 765 L HA 0.356 4.696 4.340 -0.000 0.000 0.201 765 L C 0.362 177.164 176.870 -0.113 0.000 1.291 765 L CA -0.724 54.115 54.840 -0.000 0.000 1.141 765 L CB -0.296 41.809 42.059 0.077 0.000 2.131 765 L HN 0.077 nan 8.230 nan 0.000 0.538 766 F N -1.007 118.944 119.950 0.000 0.000 2.509 766 F HA 0.502 5.029 4.527 -0.000 0.000 0.334 766 F C 0.071 175.870 175.800 -0.002 0.000 1.060 766 F CA -0.431 57.569 58.000 -0.001 0.000 0.997 766 F CB 2.070 41.068 39.000 -0.003 0.000 1.271 766 F HN 0.325 nan 8.300 nan 0.000 0.488 767 T N -0.595 114.072 114.554 0.190 0.000 3.066 767 T HA 0.593 4.943 4.350 -0.000 0.000 0.318 767 T C -1.363 173.394 174.700 0.094 0.000 0.979 767 T CA -0.726 61.434 62.100 0.102 0.000 1.025 767 T CB 0.300 69.195 68.868 0.045 0.000 1.002 767 T HN 0.298 nan 8.240 nan 0.000 0.453 768 V N 4.130 124.079 119.914 0.059 0.000 2.407 768 V HA 0.507 4.627 4.120 -0.000 0.000 0.278 768 V C 0.215 176.310 176.094 0.002 0.000 1.037 768 V CA -0.671 61.644 62.300 0.026 0.000 0.900 768 V CB 1.385 33.169 31.823 -0.065 0.000 0.983 768 V HN 0.808 nan 8.190 nan 0.000 0.459 769 K N 3.191 123.585 120.400 -0.009 0.000 2.221 769 K HA 0.879 5.198 4.320 -0.000 0.000 0.258 769 K C -0.479 176.058 176.600 -0.105 0.000 0.944 769 K CA -0.384 55.868 56.287 -0.058 0.000 0.823 769 K CB 2.225 34.682 32.500 -0.072 0.000 1.113 769 K HN 0.857 nan 8.250 nan 0.000 0.431 770 A N 2.068 124.804 122.820 -0.141 0.000 2.610 770 A HA 0.555 4.874 4.320 -0.000 0.000 0.291 770 A C -2.009 175.480 177.584 -0.157 0.000 1.086 770 A CA -0.748 51.187 52.037 -0.170 0.000 0.677 770 A CB 0.722 19.703 19.000 -0.031 0.000 1.278 770 A HN 0.519 nan 8.150 nan 0.000 0.414 771 Y N -0.198 120.120 120.300 0.030 0.000 2.320 771 Y HA 0.635 5.185 4.550 -0.000 0.000 0.334 771 Y C -0.193 175.693 175.900 -0.024 0.000 1.055 771 Y CA -0.892 57.218 58.100 0.015 0.000 1.143 771 Y CB 1.692 40.200 38.460 0.080 0.000 1.193 771 Y HN 0.565 nan 8.280 nan 0.000 0.477 772 L N 6.780 128.073 121.223 0.116 0.000 2.404 772 L HA 0.645 4.985 4.340 -0.000 0.000 0.272 772 L C -2.898 173.950 176.870 -0.036 0.000 0.980 772 L CA -2.342 52.490 54.840 -0.013 0.000 0.836 772 L CB 1.913 43.859 42.059 -0.187 0.000 1.238 772 L HN 0.290 nan 8.230 nan 0.000 0.408 773 P HA 0.026 nan 4.420 nan 0.000 0.264 773 P C 0.882 178.057 177.300 -0.209 0.000 1.183 773 P CA -0.031 62.997 63.100 -0.121 0.000 0.763 773 P CB 0.797 32.471 31.700 -0.044 0.000 0.807 774 V N 2.737 122.424 119.914 -0.379 0.000 2.407 774 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 774 V C 1.794 177.593 176.094 -0.491 0.000 1.055 774 V CA 2.378 64.352 62.300 -0.543 0.000 1.049 774 V CB -1.310 30.044 31.823 -0.782 0.000 0.662 774 V HN 0.678 nan 8.190 nan 0.000 0.455 775 N N 0.151 118.673 118.700 -0.297 0.000 2.575 775 N HA -0.116 4.624 4.740 -0.000 0.000 0.192 775 N C 1.043 176.436 175.510 -0.195 0.000 1.200 775 N CA 0.707 53.636 53.050 -0.202 0.000 0.897 775 N CB -0.213 38.342 38.487 0.114 0.000 0.990 775 N HN 0.457 nan 8.380 nan 0.000 0.449 776 E N -0.643 119.423 120.200 -0.223 0.000 2.603 776 E HA 0.095 4.445 4.350 -0.000 0.000 0.211 776 E C 0.227 176.758 176.600 -0.115 0.000 0.995 776 E CA 0.140 56.483 56.400 -0.096 0.000 0.990 776 E CB 0.463 30.147 29.700 -0.025 0.000 1.036 776 E HN 0.529 nan 8.360 nan 0.000 0.475 777 S N -0.410 115.101 115.700 -0.314 0.000 2.557 777 S HA 0.193 4.662 4.470 -0.000 0.000 0.223 777 S C 0.333 174.921 174.600 -0.021 0.000 0.969 777 S CA -0.525 57.583 58.200 -0.153 0.000 0.927 777 S CB -0.367 62.784 63.200 -0.082 0.000 0.806 777 S HN -0.076 nan 8.310 nan 0.000 0.489 778 F N 2.743 122.799 119.950 0.178 0.000 2.438 778 F HA 0.618 5.145 4.527 -0.000 0.000 0.360 778 F C 1.624 177.516 175.800 0.153 0.000 1.118 778 F CA -0.408 57.684 58.000 0.153 0.000 1.164 778 F CB 0.389 39.458 39.000 0.115 0.000 1.131 778 F HN 0.291 nan 8.300 nan 0.000 0.527 779 G N 2.677 111.671 108.800 0.323 0.000 2.175 779 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.244 779 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.244 779 G C 1.059 176.068 174.900 0.181 0.000 0.982 779 G CA 0.217 45.444 45.100 0.210 0.000 0.641 779 G HN 0.592 nan 8.290 nan 0.000 0.527 780 F N 1.920 121.922 119.950 0.085 0.000 2.091 780 F HA -0.073 4.454 4.527 -0.000 0.000 0.299 780 F C 2.628 178.445 175.800 0.028 0.000 1.103 780 F CA 2.989 61.016 58.000 0.046 0.000 1.228 780 F CB -0.586 38.433 39.000 0.032 0.000 0.984 780 F HN 0.204 nan 8.300 nan 0.000 0.477 781 T N -0.514 114.078 114.554 0.064 0.000 2.778 781 T HA -0.154 4.195 4.350 -0.000 0.000 0.269 781 T C 2.066 176.683 174.700 -0.138 0.000 1.050 781 T CA 1.761 63.829 62.100 -0.053 0.000 1.137 781 T CB -1.078 67.844 68.868 0.090 0.000 0.860 781 T HN 0.464 nan 8.240 nan 0.000 0.468 782 G N 0.274 109.032 108.800 -0.070 0.000 2.404 782 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.214 782 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.214 782 G C 1.499 176.332 174.900 -0.112 0.000 1.189 782 G CA 0.547 45.614 45.100 -0.055 0.000 0.789 782 G HN 0.576 nan 8.290 nan 0.000 0.533 783 E N -0.281 119.832 120.200 -0.144 0.000 2.265 783 E HA -0.079 4.271 4.350 -0.000 0.000 0.196 783 E C 2.315 178.753 176.600 -0.271 0.000 0.996 783 E CA 0.404 56.710 56.400 -0.158 0.000 0.832 783 E CB -0.048 29.585 29.700 -0.113 0.000 0.756 783 E HN 0.353 nan 8.360 nan 0.000 0.491 784 L N 1.509 122.459 121.223 -0.455 0.000 2.068 784 L HA -0.125 4.215 4.340 -0.000 0.000 0.204 784 L C 2.375 179.036 176.870 -0.349 0.000 1.076 784 L CA 1.608 56.153 54.840 -0.491 0.000 0.753 784 L CB -0.200 41.425 42.059 -0.724 0.000 0.910 784 L HN -0.054 nan 8.230 nan 0.000 0.439 785 R N -1.094 119.226 120.500 -0.301 0.000 2.120 785 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 785 R C 2.133 178.242 176.300 -0.318 0.000 1.123 785 R CA 1.474 57.396 56.100 -0.295 0.000 0.975 785 R CB -0.861 29.324 30.300 -0.191 0.000 0.866 785 R HN 0.329 nan 8.270 nan 0.000 0.446 786 Q N 1.029 120.724 119.800 -0.176 0.000 2.224 786 Q HA 0.052 4.392 4.340 -0.000 0.000 0.203 786 Q C 1.800 177.692 176.000 -0.181 0.000 0.970 786 Q CA 1.887 57.651 55.803 -0.064 0.000 0.865 786 Q CB -0.051 28.707 28.738 0.034 0.000 0.922 786 Q HN 0.534 nan 8.270 nan 0.000 0.445 787 A N -1.046 121.646 122.820 -0.214 0.000 2.238 787 A HA 0.093 4.413 4.320 -0.000 0.000 0.210 787 A C 1.479 178.922 177.584 -0.235 0.000 1.179 787 A CA 0.999 52.930 52.037 -0.176 0.000 0.827 787 A CB -0.024 18.896 19.000 -0.134 0.000 0.856 787 A HN 0.399 nan 8.150 nan 0.000 0.488 788 T N -5.290 109.052 114.554 -0.353 0.000 3.145 788 T HA 0.426 4.776 4.350 -0.000 0.000 0.281 788 T C 1.069 175.474 174.700 -0.491 0.000 1.003 788 T CA 0.867 62.766 62.100 -0.337 0.000 0.901 788 T CB -0.071 68.620 68.868 -0.294 0.000 1.112 788 T HN 1.552 nan 8.240 nan 0.000 0.535 789 G N 1.099 109.347 108.800 -0.921 0.000 2.273 789 G HA2 0.126 4.085 3.960 -0.000 0.000 0.280 789 G HA3 0.126 4.085 3.960 -0.000 0.000 0.280 789 G C 1.117 175.521 174.900 -0.827 0.000 1.047 789 G CA 0.256 44.451 45.100 -1.508 0.000 0.869 789 G HN 1.840 nan 8.290 nan 0.000 0.502 790 G N -1.500 106.919 108.800 -0.635 0.000 2.203 790 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.263 790 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.263 790 G C 0.836 175.524 174.900 -0.354 0.000 1.012 790 G CA 1.352 46.252 45.100 -0.333 0.000 0.749 790 G HN 0.963 nan 8.290 nan 0.000 0.512 791 Q N -0.853 118.727 119.800 -0.368 0.000 2.378 791 Q HA 0.497 4.837 4.340 -0.000 0.000 0.216 791 Q C 1.465 177.245 176.000 -0.367 0.000 0.892 791 Q CA 0.578 56.214 55.803 -0.279 0.000 0.931 791 Q CB 0.709 29.359 28.738 -0.147 0.000 1.086 791 Q HN 0.771 nan 8.270 nan 0.000 0.528 792 A N 0.725 123.276 122.820 -0.449 0.000 2.310 792 A HA 0.565 4.885 4.320 -0.000 0.000 0.299 792 A C -1.013 176.230 177.584 -0.568 0.000 1.147 792 A CA -0.226 51.603 52.037 -0.347 0.000 0.818 792 A CB 0.216 19.070 19.000 -0.243 0.000 1.096 792 A HN 0.165 nan 8.150 nan 0.000 0.495 793 F N 3.794 123.732 119.950 -0.019 0.000 2.434 793 F HA 0.391 4.918 4.527 -0.000 0.000 0.355 793 F C -2.006 173.810 175.800 0.026 0.000 1.115 793 F CA -2.025 55.978 58.000 0.006 0.000 1.010 793 F CB 2.117 41.122 39.000 0.008 0.000 1.234 793 F HN 0.388 nan 8.300 nan 0.000 0.439 794 P HA 0.212 nan 4.420 nan 0.000 0.276 794 P C -1.414 175.958 177.300 0.120 0.000 1.244 794 P CA -0.463 62.738 63.100 0.168 0.000 0.801 794 P CB 2.021 33.879 31.700 0.263 0.000 1.006 795 Q N 1.022 120.851 119.800 0.049 0.000 2.295 795 Q HA 0.567 4.907 4.340 -0.000 0.000 0.268 795 Q C -1.603 174.330 176.000 -0.112 0.000 1.010 795 Q CA -0.475 55.320 55.803 -0.014 0.000 0.856 795 Q CB 1.732 30.472 28.738 0.004 0.000 1.349 795 Q HN 0.408 nan 8.270 nan 0.000 0.412 796 M N 2.769 122.233 119.600 -0.226 0.000 2.386 796 M HA 0.635 5.115 4.480 -0.000 0.000 0.293 796 M C -1.482 174.554 176.300 -0.440 0.000 1.120 796 M CA -1.016 54.010 55.300 -0.457 0.000 0.909 796 M CB 2.527 34.575 32.600 -0.921 0.000 1.661 796 M HN 0.384 nan 8.290 nan 0.000 0.452 797 V N 2.829 122.595 119.914 -0.246 0.000 2.841 797 V HA 0.553 4.672 4.120 -0.000 0.000 0.310 797 V C -1.464 174.819 176.094 0.316 0.000 1.090 797 V CA -0.702 61.603 62.300 0.009 0.000 0.930 797 V CB 2.328 34.160 31.823 0.015 0.000 1.014 797 V HN 0.731 nan 8.190 nan 0.000 0.425 798 F N 4.718 124.846 119.950 0.297 0.000 2.608 798 F HA 0.239 4.766 4.527 -0.000 0.000 0.380 798 F C 0.734 176.524 175.800 -0.017 0.000 1.083 798 F CA 1.077 59.144 58.000 0.113 0.000 1.266 798 F CB 1.043 39.984 39.000 -0.098 0.000 1.076 798 F HN 0.814 nan 8.300 nan 0.000 0.574 799 D N 2.794 122.615 120.400 -0.965 0.000 2.995 799 D HA 0.077 4.717 4.640 -0.000 0.000 0.289 799 D C -0.242 175.465 176.300 -0.988 0.000 1.116 799 D CA 0.765 54.321 54.000 -0.741 0.000 0.994 799 D CB 0.268 40.916 40.800 -0.254 0.000 1.209 799 D HN 0.690 nan 8.370 nan 0.000 0.458 800 H N -3.187 115.203 119.070 -1.134 0.000 2.918 800 H HA 0.258 4.814 4.556 -0.000 0.000 0.303 800 H C -1.513 173.513 175.328 -0.503 0.000 1.380 800 H CA -1.098 54.527 56.048 -0.704 0.000 1.134 800 H CB -0.243 29.295 29.762 -0.373 0.000 1.842 800 H HN 0.036 nan 8.280 nan 0.000 0.533 801 W N 0.836 122.205 121.300 0.115 0.000 2.496 801 W HA 0.538 5.198 4.660 -0.000 0.000 0.327 801 W C 0.217 176.846 176.519 0.184 0.000 1.086 801 W CA -0.642 56.791 57.345 0.147 0.000 1.222 801 W CB 1.976 31.538 29.460 0.170 0.000 1.304 801 W HN 0.513 nan 8.180 nan 0.000 0.547 802 S N 1.475 117.405 115.700 0.383 0.000 2.561 802 S HA 0.461 4.931 4.470 -0.000 0.000 0.303 802 S C -0.557 174.185 174.600 0.237 0.000 1.110 802 S CA -0.626 57.733 58.200 0.266 0.000 1.034 802 S CB 0.684 63.998 63.200 0.190 0.000 1.010 802 S HN 0.310 nan 8.310 nan 0.000 0.482 803 T N 5.838 120.499 114.554 0.179 0.000 2.752 803 T HA 0.291 4.641 4.350 -0.000 0.000 0.295 803 T C 0.138 174.910 174.700 0.121 0.000 0.923 803 T CA -0.153 62.035 62.100 0.148 0.000 1.112 803 T CB -0.131 68.799 68.868 0.104 0.000 0.884 803 T HN 0.537 nan 8.240 nan 0.000 0.525 804 L N 3.046 124.346 121.223 0.129 0.000 2.360 804 L HA 0.291 4.631 4.340 -0.000 0.000 0.276 804 L C 1.771 178.681 176.870 0.067 0.000 1.121 804 L CA -0.350 54.548 54.840 0.097 0.000 0.845 804 L CB 0.600 42.718 42.059 0.098 0.000 1.143 804 L HN 0.861 nan 8.230 nan 0.000 0.452 805 G N 1.734 110.565 108.800 0.052 0.000 2.484 805 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.218 805 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.218 805 G C 0.791 175.706 174.900 0.024 0.000 1.130 805 G CA 0.239 45.359 45.100 0.034 0.000 0.784 805 G HN 0.651 nan 8.290 nan 0.000 0.543 806 S N 0.229 115.944 115.700 0.024 0.000 2.584 806 S HA 0.194 4.664 4.470 -0.000 0.000 0.270 806 S C -0.240 174.364 174.600 0.008 0.000 1.346 806 S CA -0.667 57.540 58.200 0.013 0.000 1.018 806 S CB 1.537 64.742 63.200 0.009 0.000 0.899 806 S HN 0.136 nan 8.310 nan 0.000 0.542 807 D N 1.440 121.842 120.400 0.002 0.000 2.358 807 D HA 0.194 4.834 4.640 -0.000 0.000 0.258 807 D C -1.657 174.637 176.300 -0.009 0.000 1.223 807 D CA -1.953 52.049 54.000 0.002 0.000 0.886 807 D CB 1.092 41.895 40.800 0.005 0.000 1.120 807 D HN 0.174 nan 8.370 nan 0.000 0.482 808 P HA -0.064 nan 4.420 nan 0.000 0.222 808 P C 1.043 178.322 177.300 -0.035 0.000 1.147 808 P CA 0.438 63.520 63.100 -0.030 0.000 0.790 808 P CB 0.334 32.047 31.700 0.023 0.000 0.780 809 L N -1.400 119.824 121.223 0.002 0.000 2.591 809 L HA 0.118 4.458 4.340 -0.000 0.000 0.228 809 L C 0.653 177.520 176.870 -0.005 0.000 1.133 809 L CA 0.750 55.595 54.840 0.008 0.000 0.880 809 L CB -0.940 41.145 42.059 0.043 0.000 1.033 809 L HN -0.086 nan 8.230 nan 0.000 0.450 810 D N -0.114 120.277 120.400 -0.014 0.000 2.443 810 D HA 0.198 4.838 4.640 -0.000 0.000 0.221 810 D C -1.789 174.494 176.300 -0.030 0.000 1.097 810 D CA -2.371 51.621 54.000 -0.015 0.000 0.865 810 D CB 1.642 42.437 40.800 -0.008 0.000 1.034 810 D HN -0.096 nan 8.370 nan 0.000 0.511 811 P HA -0.138 nan 4.420 nan 0.000 0.221 811 P C 0.893 178.172 177.300 -0.035 0.000 1.141 811 P CA 1.391 64.467 63.100 -0.040 0.000 0.794 811 P CB 0.194 31.876 31.700 -0.030 0.000 0.764 812 T N -6.190 108.350 114.554 -0.024 0.000 3.054 812 T HA 0.162 4.512 4.350 -0.000 0.000 0.255 812 T C 0.822 175.513 174.700 -0.015 0.000 1.035 812 T CA -0.212 61.878 62.100 -0.017 0.000 0.941 812 T CB -0.430 68.433 68.868 -0.009 0.000 1.026 812 T HN 0.104 nan 8.240 nan 0.000 0.533 813 S N 0.876 116.564 115.700 -0.020 0.000 2.669 813 S HA 0.420 4.890 4.470 -0.000 0.000 0.270 813 S C 1.129 175.716 174.600 -0.022 0.000 1.225 813 S CA -0.970 57.221 58.200 -0.014 0.000 0.991 813 S CB 1.518 64.711 63.200 -0.012 0.000 0.987 813 S HN 0.205 nan 8.310 nan 0.000 0.552 814 K N 0.618 121.012 120.400 -0.010 0.000 2.032 814 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 814 K C 2.431 179.007 176.600 -0.039 0.000 1.048 814 K CA 1.519 57.800 56.287 -0.009 0.000 0.927 814 K CB -0.804 31.705 32.500 0.016 0.000 0.712 814 K HN 0.730 nan 8.250 nan 0.000 0.441 815 A N 1.213 124.007 122.820 -0.044 0.000 1.873 815 A HA -0.075 4.244 4.320 -0.000 0.000 0.215 815 A C 2.472 179.960 177.584 -0.159 0.000 1.186 815 A CA 1.872 53.854 52.037 -0.092 0.000 0.616 815 A CB -1.211 17.761 19.000 -0.047 0.000 0.823 815 A HN 0.434 nan 8.150 nan 0.000 0.442 816 G N -0.269 108.465 108.800 -0.111 0.000 2.442 816 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 816 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 816 G C 1.393 176.207 174.900 -0.143 0.000 1.141 816 G CA 1.041 46.066 45.100 -0.124 0.000 0.763 816 G HN 0.685 nan 8.290 nan 0.000 0.554 817 E N 0.097 120.230 120.200 -0.110 0.000 2.077 817 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 817 E C 2.515 179.031 176.600 -0.141 0.000 0.989 817 E CA 0.661 57.005 56.400 -0.094 0.000 0.800 817 E CB -0.160 29.509 29.700 -0.051 0.000 0.746 817 E HN 0.495 nan 8.360 nan 0.000 0.452 818 I N 0.907 121.358 120.570 -0.198 0.000 2.226 818 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 818 I C 2.389 178.230 176.117 -0.460 0.000 1.100 818 I CA 0.792 61.917 61.300 -0.292 0.000 1.374 818 I CB -0.191 37.552 38.000 -0.428 0.000 1.057 818 I HN -0.024 nan 8.210 nan 0.000 0.413 819 V N 0.633 120.201 119.914 -0.577 0.000 2.427 819 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 819 V C 2.318 178.176 176.094 -0.394 0.000 1.051 819 V CA 1.431 63.252 62.300 -0.799 0.000 1.048 819 V CB -0.396 31.047 31.823 -0.633 0.000 0.666 819 V HN 0.358 nan 8.190 nan 0.000 0.456 820 L N 0.792 121.876 121.223 -0.231 0.000 2.093 820 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 820 L C 2.390 179.209 176.870 -0.085 0.000 1.085 820 L CA 2.227 56.995 54.840 -0.120 0.000 0.755 820 L CB -0.867 41.141 42.059 -0.085 0.000 0.904 820 L HN 0.203 nan 8.230 nan 0.000 0.435 821 A N -0.501 122.260 122.820 -0.097 0.000 1.898 821 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 821 A C 2.427 179.987 177.584 -0.040 0.000 1.181 821 A CA 1.560 53.564 52.037 -0.055 0.000 0.620 821 A CB -1.052 17.924 19.000 -0.039 0.000 0.819 821 A HN 0.534 nan 8.150 nan 0.000 0.442 822 A N -0.327 122.475 122.820 -0.029 0.000 1.930 822 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 822 A C 2.242 179.911 177.584 0.141 0.000 1.175 822 A CA 1.333 53.426 52.037 0.094 0.000 0.627 822 A CB -0.417 18.820 19.000 0.394 0.000 0.815 822 A HN 0.524 nan 8.150 nan 0.000 0.443 823 R N -0.114 120.457 120.500 0.118 0.000 2.081 823 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 823 R C 2.171 178.522 176.300 0.085 0.000 1.131 823 R CA 1.607 57.792 56.100 0.141 0.000 0.960 823 R CB -0.262 30.081 30.300 0.072 0.000 0.856 823 R HN 0.481 nan 8.270 nan 0.000 0.436 824 K N 0.220 120.635 120.400 0.024 0.000 2.057 824 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 824 K C 2.154 178.749 176.600 -0.008 0.000 1.050 824 K CA 0.986 57.279 56.287 0.009 0.000 0.935 824 K CB -0.183 32.312 32.500 -0.007 0.000 0.715 824 K HN 0.082 nan 8.250 nan 0.000 0.439 825 R N 0.458 120.919 120.500 -0.064 0.000 2.159 825 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 825 R C 1.335 177.531 176.300 -0.174 0.000 1.131 825 R CA 1.268 57.278 56.100 -0.150 0.000 0.982 825 R CB 0.029 30.180 30.300 -0.249 0.000 0.868 825 R HN 0.320 nan 8.270 nan 0.000 0.453 826 H N -1.582 117.523 119.070 0.057 0.000 2.586 826 H HA 0.195 4.751 4.556 -0.000 0.000 0.273 826 H C 0.860 176.213 175.328 0.041 0.000 0.997 826 H CA 0.664 56.744 56.048 0.053 0.000 1.177 826 H CB 1.031 30.835 29.762 0.069 0.000 1.471 826 H HN 0.458 nan 8.280 nan 0.000 0.538 827 G N 1.558 110.430 108.800 0.122 0.000 2.198 827 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 827 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 827 G C 0.286 175.233 174.900 0.078 0.000 1.025 827 G CA 0.485 45.634 45.100 0.081 0.000 0.769 827 G HN 0.255 nan 8.290 nan 0.000 0.507 828 M N -1.016 118.640 119.600 0.094 0.000 2.369 828 M HA 0.557 5.037 4.480 -0.000 0.000 0.291 828 M C 0.706 177.035 176.300 0.049 0.000 1.178 828 M CA -0.896 54.449 55.300 0.074 0.000 0.996 828 M CB 0.769 33.426 32.600 0.095 0.000 1.472 828 M HN 0.051 nan 8.290 nan 0.000 0.496 829 K N 0.920 121.341 120.400 0.034 0.000 2.295 829 K HA 0.045 4.365 4.320 -0.000 0.000 0.270 829 K C 0.430 177.042 176.600 0.020 0.000 1.011 829 K CA 0.505 56.803 56.287 0.020 0.000 0.953 829 K CB 0.604 33.109 32.500 0.009 0.000 0.956 829 K HN 0.618 nan 8.250 nan 0.000 0.477 830 E N 2.082 122.288 120.200 0.010 0.000 2.031 830 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 830 E C -0.361 176.239 176.600 -0.000 0.000 0.994 830 E CA 1.218 57.620 56.400 0.003 0.000 0.800 830 E CB -0.042 29.655 29.700 -0.004 0.000 0.752 830 E HN 0.647 nan 8.360 nan 0.000 0.447 831 E N 1.452 121.651 120.200 -0.002 0.000 2.414 831 E HA 0.052 4.402 4.350 -0.000 0.000 0.263 831 E C -0.767 175.838 176.600 0.009 0.000 1.000 831 E CA -0.268 56.130 56.400 -0.002 0.000 0.914 831 E CB 1.261 30.956 29.700 -0.008 0.000 0.948 831 E HN -0.095 nan 8.360 nan 0.000 0.444 832 V N 5.789 125.713 119.914 0.017 0.000 2.455 832 V HA 0.111 4.231 4.120 -0.000 0.000 0.273 832 V C -1.924 174.202 176.094 0.053 0.000 1.045 832 V CA -1.614 60.711 62.300 0.041 0.000 0.976 832 V CB 0.631 32.484 31.823 0.050 0.000 0.993 832 V HN 0.605 nan 8.190 nan 0.000 0.475 833 P HA 0.172 nan 4.420 nan 0.000 0.264 833 P C 0.377 177.770 177.300 0.155 0.000 1.193 833 P CA 0.362 63.501 63.100 0.065 0.000 0.763 833 P CB 0.497 32.223 31.700 0.043 0.000 0.810 834 G N 2.627 111.475 108.800 0.081 0.000 2.580 834 G HA2 0.110 4.069 3.960 -0.000 0.000 0.278 834 G HA3 0.110 4.069 3.960 -0.000 0.000 0.278 834 G C 0.905 175.934 174.900 0.215 0.000 1.212 834 G CA -0.681 44.485 45.100 0.110 0.000 0.939 834 G HN 0.724 nan 8.290 nan 0.000 0.513 835 W N -0.154 121.265 121.300 0.199 0.000 2.325 835 W HA -0.192 4.468 4.660 -0.000 0.000 0.299 835 W C 1.453 178.127 176.519 0.259 0.000 1.215 835 W CA 1.207 58.704 57.345 0.254 0.000 1.244 835 W CB -0.650 28.892 29.460 0.136 0.000 1.140 835 W HN 0.510 nan 8.180 nan 0.000 0.523 836 Q N 1.082 120.494 119.800 -0.645 0.000 2.248 836 Q HA -0.186 4.154 4.340 -0.000 0.000 0.208 836 Q C 1.954 177.871 176.000 -0.138 0.000 0.984 836 Q CA 2.124 57.553 55.803 -0.624 0.000 0.875 836 Q CB -0.559 27.682 28.738 -0.829 0.000 0.910 836 Q HN 0.322 nan 8.270 nan 0.000 0.433 837 E N -0.804 119.328 120.200 -0.114 0.000 2.409 837 E HA -0.127 4.223 4.350 -0.000 0.000 0.198 837 E C 0.495 176.892 176.600 -0.338 0.000 1.024 837 E CA 0.903 57.147 56.400 -0.260 0.000 0.861 837 E CB 0.123 29.564 29.700 -0.432 0.000 0.788 837 E HN 0.595 nan 8.360 nan 0.000 0.521 838 Y N -2.136 118.245 120.300 0.135 0.000 2.527 838 Y HA 0.153 4.702 4.550 -0.000 0.000 0.247 838 Y C 0.157 176.173 175.900 0.194 0.000 1.138 838 Y CA -0.637 57.558 58.100 0.158 0.000 1.228 838 Y CB 0.236 38.822 38.460 0.210 0.000 1.252 838 Y HN -0.089 nan 8.280 nan 0.000 0.531 839 Y N 2.341 122.784 120.300 0.239 0.000 2.326 839 Y HA 0.363 4.913 4.550 -0.000 0.000 0.337 839 Y C -0.568 175.389 175.900 0.095 0.000 1.023 839 Y CA -0.974 57.255 58.100 0.215 0.000 1.143 839 Y CB 0.649 39.333 38.460 0.374 0.000 1.183 839 Y HN 0.030 nan 8.280 nan 0.000 0.485 840 D N 7.055 127.246 120.400 -0.348 0.000 2.472 840 D HA 0.123 4.763 4.640 -0.000 0.000 0.234 840 D C -0.498 175.600 176.300 -0.335 0.000 1.088 840 D CA -0.462 53.401 54.000 -0.229 0.000 0.882 840 D CB 1.175 41.864 40.800 -0.186 0.000 1.037 840 D HN 0.536 nan 8.370 nan 0.000 0.520 841 K N 2.109 122.469 120.400 -0.067 0.000 2.518 841 K HA 0.075 4.395 4.320 -0.000 0.000 0.276 841 K C 0.456 177.052 176.600 -0.007 0.000 0.974 841 K CA -0.190 56.141 56.287 0.073 0.000 0.986 841 K CB 0.817 33.431 32.500 0.190 0.000 0.901 841 K HN 0.353 nan 8.250 nan 0.000 0.497 842 L N 0.000 121.244 121.223 0.035 0.000 2.949 842 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 842 L CA 0.000 54.858 54.840 0.031 0.000 0.813 842 L CB 0.000 42.108 42.059 0.081 0.000 0.961 842 L HN 0.000 nan 8.230 nan 0.000 0.502