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 1n9e_1_B DATA FIRST_RESID 41 DATA SEQUENCE ASAEcVSNEN VEIEAPKTNI WTSLAKEEVQ EVLDLLHSTY NITEVTKADF DATA SEQUENCE FSNYVLWIET LKPNKTEALT YLDEDGDLPP RNARTVVYFG EGEEGYFEEL DATA SEQUENCE KVGPLPVSDE TTIEPLSFYN TNGKSKLPFE VGHLDRIKSA AKSSFLNKNL DATA SEQUENCE NTTIMRDVLE GLIGVPYEDM GcHSAAPQLH DPATGATVDY GTcNINTEND DATA SEQUENCE AENLVPTGFF FKFDMTGRDV SQWKMLEYIY NNKVYTSAEE LYEAMQKDDF DATA SEQUENCE VTLPKIDVDN LDWTVIQRND SAPIRHLDDR KSPRLVEPEG RRWAYDGEEE DATA SEQUENCE YFSWMDWGFY TSWSRDTGIS FYDITFKGER IVYELSLQEL IAEYGSDDPF DATA SEQUENCE NQHTFYSDIS YGVGNRFSLV PGYDcPATAG YFTTDTFEYD EFYNRTLSYc DATA SEQUENCE VFENQEDYSL LRHTGASYSA ITQNPTLNVR FISTIGNXDY NFLYKFFLDG DATA SEQUENCE TLEVSVRAAG YIQAGYWNPE TSAPYGLKIH DVLSGSFHDH VLNYKVDLDV DATA SEQUENCE GGTKNRASKY VMKDVDVEYP WAPGTVYNTK QIAREVLEKE DFNGINWPEN DATA SEQUENCE GQGILLIESA EETNSFGNPR AYNIMPGGGG VHRIVKNSRS GPETQNWARS DATA SEQUENCE NLFLTKHKDE ELRSSTALNT NALYDPPVNF NAFLDDESLD GEDIVAWVNL DATA SEQUENCE GLHHLPNSND LPNTIFSTAH ASFMLTPFNY FDSENSRDTT QQVFYTYDDE DATA SEQUENCE TEESNWEFYG NDWSScGLEV PEPNFEDYTY GRGTR 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 41 A HA 0.000 nan 4.320 nan 0.000 0.244 41 A C 0.000 177.582 177.584 -0.004 0.000 1.274 41 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 41 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 42 S N 1.554 117.251 115.700 -0.005 0.000 2.571 42 S HA 0.402 4.874 4.470 0.003 0.000 0.298 42 S C 0.813 175.408 174.600 -0.009 0.000 1.280 42 S CA 0.258 58.454 58.200 -0.007 0.000 1.052 42 S CB 0.533 63.728 63.200 -0.009 0.000 0.799 42 S HN 1.530 nan 8.310 nan 0.000 0.501 43 A N 2.125 124.939 122.820 -0.009 0.000 2.492 43 A HA 0.221 4.543 4.320 0.003 0.000 0.236 43 A C 0.498 178.073 177.584 -0.015 0.000 1.078 43 A CA -0.140 51.891 52.037 -0.011 0.000 0.773 43 A CB -0.018 18.976 19.000 -0.010 0.000 1.023 43 A HN 0.783 nan 8.150 nan 0.000 0.504 44 E N -0.085 120.105 120.200 -0.015 0.000 2.373 44 E HA 0.289 4.641 4.350 0.003 0.000 0.267 44 E C -0.235 176.350 176.600 -0.026 0.000 1.032 44 E CA -0.141 56.247 56.400 -0.019 0.000 0.889 44 E CB 0.303 29.993 29.700 -0.016 0.000 0.984 44 E HN 0.647 nan 8.360 nan 0.000 0.425 45 c N 2.848 121.429 118.600 -0.033 0.000 2.702 45 c HA 0.065 4.637 4.570 0.003 0.000 0.411 45 c C 0.139 174.207 174.090 -0.037 0.000 1.286 45 c CA -0.942 55.361 56.329 -0.044 0.000 1.979 45 c CB -0.218 42.260 42.510 -0.054 0.000 2.728 45 c HN 0.426 nan 8.230 nan 0.000 0.652 46 V N 4.403 124.293 119.914 -0.040 0.000 2.397 46 V HA 0.185 4.307 4.120 0.003 0.000 0.262 46 V C 0.796 176.870 176.094 -0.033 0.000 1.047 46 V CA 0.257 62.538 62.300 -0.032 0.000 1.003 46 V CB -0.008 31.798 31.823 -0.030 0.000 1.037 46 V HN 1.054 nan 8.190 nan 0.000 0.480 47 S N 5.649 121.332 115.700 -0.028 0.000 2.592 47 S HA 0.442 4.914 4.470 0.003 0.000 0.271 47 S C -0.266 174.317 174.600 -0.028 0.000 1.326 47 S CA -0.732 57.451 58.200 -0.028 0.000 1.024 47 S CB 0.987 64.172 63.200 -0.025 0.000 0.921 47 S HN 0.724 nan 8.310 nan 0.000 0.527 48 N N 1.045 119.726 118.700 -0.031 0.000 2.284 48 N HA 0.308 5.050 4.740 0.003 0.000 0.289 48 N C -1.314 174.172 175.510 -0.040 0.000 1.179 48 N CA -0.669 52.362 53.050 -0.032 0.000 0.774 48 N CB 1.845 40.313 38.487 -0.032 0.000 1.548 48 N HN 0.658 nan 8.380 nan 0.000 0.473 49 E N 0.869 121.044 120.200 -0.041 0.000 2.349 49 E HA 0.206 4.558 4.350 0.003 0.000 0.265 49 E C -0.195 176.364 176.600 -0.068 0.000 1.064 49 E CA -0.352 56.020 56.400 -0.048 0.000 0.886 49 E CB 0.678 30.354 29.700 -0.041 0.000 1.036 49 E HN 0.324 nan 8.360 nan 0.000 0.413 50 N N 0.355 119.007 118.700 -0.080 0.000 2.407 50 N HA 0.007 4.749 4.740 0.003 0.000 0.250 50 N C -0.503 174.944 175.510 -0.106 0.000 1.236 50 N CA 0.117 53.096 53.050 -0.118 0.000 0.879 50 N CB 0.462 38.890 38.487 -0.098 0.000 1.088 50 N HN 0.090 nan 8.380 nan 0.000 0.450 51 V N 2.052 121.891 119.914 -0.125 0.000 2.394 51 V HA 0.247 4.368 4.120 0.003 0.000 0.282 51 V C 0.419 176.415 176.094 -0.163 0.000 1.031 51 V CA -0.549 61.686 62.300 -0.109 0.000 0.881 51 V CB 1.134 32.916 31.823 -0.068 0.000 0.982 51 V HN 0.546 nan 8.190 nan 0.000 0.451 52 E N 4.567 124.644 120.200 -0.205 0.000 2.207 52 E HA 0.750 5.102 4.350 0.003 0.000 0.270 52 E C -0.726 175.767 176.600 -0.178 0.000 0.927 52 E CA -0.605 55.600 56.400 -0.324 0.000 0.799 52 E CB 2.662 32.125 29.700 -0.395 0.000 1.172 52 E HN 0.713 nan 8.360 nan 0.000 0.404 53 I N -2.415 118.061 120.570 -0.157 0.000 3.343 53 I HA 0.536 4.708 4.170 0.003 0.000 0.315 53 I C -0.746 175.343 176.117 -0.046 0.000 1.153 53 I CA -1.127 60.137 61.300 -0.061 0.000 0.952 53 I CB 2.059 40.065 38.000 0.010 0.000 1.287 53 I HN 0.170 nan 8.210 nan 0.000 0.472 54 E N 2.138 122.323 120.200 -0.025 0.000 2.133 54 E HA 0.501 4.852 4.350 0.003 0.000 0.274 54 E C -0.431 176.128 176.600 -0.067 0.000 0.930 54 E CA -0.652 55.730 56.400 -0.029 0.000 0.770 54 E CB 1.994 31.676 29.700 -0.029 0.000 1.104 54 E HN 0.777 nan 8.360 nan 0.000 0.403 55 A N 4.748 127.508 122.820 -0.099 0.000 2.520 55 A HA 0.167 4.488 4.320 0.003 0.000 0.235 55 A C -1.278 176.138 177.584 -0.280 0.000 1.065 55 A CA -0.724 51.078 52.037 -0.391 0.000 0.764 55 A CB -0.094 18.781 19.000 -0.209 0.000 1.002 55 A HN 0.359 nan 8.150 nan 0.000 0.502 56 P HA -0.045 nan 4.420 nan 0.000 0.218 56 P C 0.153 177.411 177.300 -0.071 0.000 1.149 56 P CA 1.401 64.399 63.100 -0.170 0.000 0.817 56 P CB 0.190 31.798 31.700 -0.154 0.000 0.785 57 K N -1.954 118.459 120.400 0.021 0.000 2.469 57 K HA 0.372 4.694 4.320 0.003 0.000 0.268 57 K C -0.179 176.537 176.600 0.193 0.000 1.027 57 K CA -0.471 55.856 56.287 0.068 0.000 0.893 57 K CB 1.155 33.629 32.500 -0.043 0.000 1.460 57 K HN -0.110 nan 8.250 nan 0.000 0.449 58 T N -1.115 113.576 114.554 0.229 0.000 2.904 58 T HA 0.180 4.532 4.350 0.003 0.000 0.290 58 T C 0.429 175.125 174.700 -0.007 0.000 1.018 58 T CA -0.566 61.616 62.100 0.137 0.000 1.075 58 T CB 0.571 69.475 68.868 0.060 0.000 0.986 58 T HN 0.347 nan 8.240 nan 0.000 0.523 59 N N 2.070 120.797 118.700 0.044 0.000 2.466 59 N HA 0.044 4.786 4.740 0.003 0.000 0.263 59 N C 1.199 176.577 175.510 -0.220 0.000 1.178 59 N CA -0.746 52.290 53.050 -0.023 0.000 0.983 59 N CB -0.402 38.273 38.487 0.313 0.000 1.331 59 N HN 0.766 nan 8.380 nan 0.000 0.500 60 I N -0.739 119.417 120.570 -0.689 0.000 3.444 60 I HA 0.105 4.277 4.170 0.003 0.000 0.287 60 I C 0.427 176.080 176.117 -0.773 0.000 1.302 60 I CA 0.186 61.000 61.300 -0.809 0.000 1.368 60 I CB -0.063 37.305 38.000 -1.052 0.000 1.048 60 I HN 0.281 nan 8.210 nan 0.000 0.487 61 W N 1.336 122.493 121.300 -0.238 0.000 3.127 61 W HA 0.308 4.970 4.660 0.004 0.000 0.344 61 W C 1.066 177.522 176.519 -0.104 0.000 1.151 61 W CA -0.551 56.622 57.345 -0.287 0.000 1.765 61 W CB -0.372 28.687 29.460 -0.668 0.000 1.085 61 W HN -0.022 nan 8.180 nan 0.000 0.596 62 T N 2.114 116.748 114.554 0.133 0.000 2.898 62 T HA 0.154 4.506 4.350 0.003 0.000 0.301 62 T C 0.951 175.736 174.700 0.141 0.000 1.049 62 T CA 0.153 62.356 62.100 0.171 0.000 1.095 62 T CB 0.939 69.909 68.868 0.169 0.000 0.976 62 T HN 0.056 nan 8.240 nan 0.000 0.539 63 S N 3.905 119.710 115.700 0.176 0.000 2.576 63 S HA 0.267 4.739 4.470 0.003 0.000 0.272 63 S C 0.302 175.003 174.600 0.169 0.000 1.352 63 S CA -0.820 57.482 58.200 0.171 0.000 1.021 63 S CB -0.055 63.267 63.200 0.203 0.000 0.887 63 S HN 0.627 nan 8.310 nan 0.000 0.542 64 L N 1.944 123.271 121.223 0.173 0.000 2.456 64 L HA 0.345 4.687 4.340 0.003 0.000 0.272 64 L C 1.088 178.104 176.870 0.244 0.000 1.189 64 L CA -0.413 54.529 54.840 0.170 0.000 0.846 64 L CB -0.048 42.103 42.059 0.154 0.000 1.111 64 L HN 0.953 nan 8.230 nan 0.000 0.475 65 A N 3.355 126.269 122.820 0.158 0.000 2.366 65 A HA 0.101 4.423 4.320 0.003 0.000 0.249 65 A C 1.292 178.893 177.584 0.029 0.000 1.084 65 A CA -0.227 51.885 52.037 0.126 0.000 0.794 65 A CB 0.308 19.338 19.000 0.050 0.000 1.034 65 A HN 0.933 nan 8.150 nan 0.000 0.491 66 K N -0.088 120.156 120.400 -0.260 0.000 2.113 66 K HA -0.228 4.094 4.320 0.003 0.000 0.208 66 K C 1.648 178.073 176.600 -0.291 0.000 1.047 66 K CA 2.180 58.032 56.287 -0.725 0.000 0.928 66 K CB -0.052 31.818 32.500 -1.051 0.000 0.716 66 K HN 0.790 nan 8.250 nan 0.000 0.446 67 E N 1.088 121.188 120.200 -0.166 0.000 2.150 67 E HA -0.167 4.185 4.350 0.003 0.000 0.193 67 E C 1.466 178.033 176.600 -0.055 0.000 0.985 67 E CA 1.587 57.931 56.400 -0.093 0.000 0.814 67 E CB 0.053 29.716 29.700 -0.062 0.000 0.752 67 E HN 0.395 nan 8.360 nan 0.000 0.466 68 E N -0.416 119.766 120.200 -0.031 0.000 2.072 68 E HA -0.128 4.224 4.350 0.003 0.000 0.191 68 E C 2.137 178.728 176.600 -0.015 0.000 0.985 68 E CA 1.344 57.741 56.400 -0.005 0.000 0.801 68 E CB 0.023 29.737 29.700 0.024 0.000 0.750 68 E HN 0.147 nan 8.360 nan 0.000 0.452 69 V N 1.217 121.121 119.914 -0.016 0.000 2.295 69 V HA -0.287 3.835 4.120 0.003 0.000 0.246 69 V C 2.435 178.461 176.094 -0.113 0.000 1.049 69 V CA 1.980 64.232 62.300 -0.080 0.000 1.024 69 V CB -0.488 31.331 31.823 -0.006 0.000 0.648 69 V HN 0.204 nan 8.190 nan 0.000 0.447 70 Q N 0.465 120.220 119.800 -0.075 0.000 2.096 70 Q HA -0.233 4.109 4.340 0.003 0.000 0.204 70 Q C 2.103 178.090 176.000 -0.022 0.000 0.982 70 Q CA 2.157 57.934 55.803 -0.044 0.000 0.850 70 Q CB -0.308 28.401 28.738 -0.048 0.000 0.901 70 Q HN 0.721 nan 8.270 nan 0.000 0.422 71 E N -1.157 119.030 120.200 -0.021 0.000 2.077 71 E HA -0.149 4.202 4.350 0.003 0.000 0.193 71 E C 1.968 178.575 176.600 0.013 0.000 0.989 71 E CA 1.403 57.802 56.400 -0.002 0.000 0.800 71 E CB -0.003 29.695 29.700 -0.004 0.000 0.746 71 E HN 0.187 nan 8.360 nan 0.000 0.452 72 V N 1.201 121.116 119.914 0.002 0.000 2.358 72 V HA -0.226 3.896 4.120 0.003 0.000 0.246 72 V C 2.245 178.367 176.094 0.045 0.000 1.047 72 V CA 1.261 63.573 62.300 0.020 0.000 1.035 72 V CB -0.342 31.482 31.823 0.002 0.000 0.658 72 V HN 0.221 nan 8.190 nan 0.000 0.452 73 L N 0.413 121.647 121.223 0.019 0.000 2.046 73 L HA -0.166 4.176 4.340 0.003 0.000 0.208 73 L C 2.080 179.078 176.870 0.213 0.000 1.077 73 L CA 2.058 56.965 54.840 0.110 0.000 0.747 73 L CB -0.900 41.205 42.059 0.077 0.000 0.896 73 L HN 0.300 nan 8.230 nan 0.000 0.432 74 D N -0.783 119.689 120.400 0.120 0.000 2.117 74 D HA -0.193 4.449 4.640 0.003 0.000 0.197 74 D C 2.141 178.519 176.300 0.129 0.000 0.987 74 D CA 1.362 55.427 54.000 0.109 0.000 0.829 74 D CB -0.247 40.578 40.800 0.042 0.000 0.961 74 D HN 0.291 nan 8.370 nan 0.000 0.460 75 L N 0.497 121.776 121.223 0.093 0.000 2.093 75 L HA -0.063 4.279 4.340 0.003 0.000 0.208 75 L C 2.072 178.996 176.870 0.089 0.000 1.085 75 L CA 1.251 56.133 54.840 0.070 0.000 0.755 75 L CB -0.491 41.598 42.059 0.050 0.000 0.904 75 L HN 0.017 nan 8.230 nan 0.000 0.435 76 L N -1.357 119.954 121.223 0.147 0.000 2.046 76 L HA -0.240 4.102 4.340 0.003 0.000 0.208 76 L C 2.633 179.605 176.870 0.170 0.000 1.077 76 L CA 1.251 56.214 54.840 0.205 0.000 0.747 76 L CB -0.885 41.295 42.059 0.202 0.000 0.896 76 L HN 0.397 nan 8.230 nan 0.000 0.432 77 H N -0.668 118.477 119.070 0.126 0.000 2.421 77 H HA -0.107 4.450 4.556 0.002 0.000 0.298 77 H C 2.487 177.859 175.328 0.073 0.000 1.087 77 H CA 1.779 57.894 56.048 0.111 0.000 1.330 77 H CB 0.217 30.034 29.762 0.091 0.000 1.388 77 H HN 0.422 nan 8.280 nan 0.000 0.526 78 S N -0.746 115.042 115.700 0.147 0.000 2.501 78 S HA -0.022 4.450 4.470 0.003 0.000 0.220 78 S C 1.921 176.513 174.600 -0.014 0.000 0.997 78 S CA 0.675 58.915 58.200 0.067 0.000 0.919 78 S CB 0.085 63.312 63.200 0.045 0.000 0.778 78 S HN 0.159 nan 8.310 nan 0.000 0.523 79 T N 0.512 115.009 114.554 -0.096 0.000 2.976 79 T HA 0.292 4.644 4.350 0.003 0.000 0.257 79 T C -0.253 174.202 174.700 -0.409 0.000 1.051 79 T CA 0.606 62.508 62.100 -0.330 0.000 1.141 79 T CB -0.151 68.368 68.868 -0.581 0.000 0.881 79 T HN 0.511 nan 8.240 nan 0.000 0.461 80 Y N 0.581 120.934 120.300 0.088 0.000 2.602 80 Y HA 0.497 5.050 4.550 0.005 0.000 0.342 80 Y C 0.101 176.042 175.900 0.069 0.000 1.029 80 Y CA -1.707 56.460 58.100 0.112 0.000 1.080 80 Y CB 0.864 39.444 38.460 0.199 0.000 1.284 80 Y HN -0.193 nan 8.280 nan 0.000 0.485 81 N N 2.265 121.120 118.700 0.259 0.000 2.448 81 N HA 0.142 4.883 4.740 0.003 0.000 0.250 81 N C -1.462 174.108 175.510 0.100 0.000 1.136 81 N CA 0.103 53.244 53.050 0.152 0.000 0.953 81 N CB -0.096 38.472 38.487 0.134 0.000 1.251 81 N HN 0.444 nan 8.380 nan 0.000 0.502 82 I N 2.583 123.168 120.570 0.025 0.000 2.336 82 I HA 0.226 4.398 4.170 0.003 0.000 0.292 82 I C 0.533 176.662 176.117 0.020 0.000 0.991 82 I CA -0.412 60.831 61.300 -0.095 0.000 1.227 82 I CB 1.076 38.788 38.000 -0.480 0.000 1.366 82 I HN 0.309 nan 8.210 nan 0.000 0.466 83 T N 5.497 120.102 114.554 0.084 0.000 2.907 83 T HA 0.245 4.597 4.350 0.003 0.000 0.284 83 T C 0.219 175.015 174.700 0.161 0.000 1.004 83 T CA -0.639 61.542 62.100 0.135 0.000 1.063 83 T CB 1.194 70.143 68.868 0.134 0.000 0.992 83 T HN 0.323 nan 8.240 nan 0.000 0.483 84 E N 2.021 122.314 120.200 0.156 0.000 2.384 84 E HA 0.060 4.412 4.350 0.003 0.000 0.266 84 E C 1.331 177.968 176.600 0.062 0.000 1.012 84 E CA -0.103 56.383 56.400 0.145 0.000 0.901 84 E CB 0.816 30.587 29.700 0.119 0.000 0.967 84 E HN 0.315 nan 8.360 nan 0.000 0.435 85 V N 2.847 122.793 119.914 0.054 0.000 2.380 85 V HA -0.311 3.811 4.120 0.003 0.000 0.251 85 V C 2.321 178.329 176.094 -0.142 0.000 1.063 85 V CA 2.582 64.824 62.300 -0.095 0.000 1.055 85 V CB -1.103 30.716 31.823 -0.006 0.000 0.657 85 V HN 0.807 nan 8.190 nan 0.000 0.455 86 T N -2.111 112.404 114.554 -0.065 0.000 3.051 86 T HA -0.130 4.222 4.350 0.003 0.000 0.269 86 T C 1.330 175.992 174.700 -0.065 0.000 1.127 86 T CA 1.084 63.141 62.100 -0.071 0.000 1.107 86 T CB -0.250 68.598 68.868 -0.034 0.000 0.898 86 T HN 0.560 nan 8.240 nan 0.000 0.517 87 K N 0.638 121.009 120.400 -0.047 0.000 2.387 87 K HA 0.560 4.882 4.320 0.003 0.000 0.203 87 K C 0.570 177.145 176.600 -0.041 0.000 1.030 87 K CA -0.238 56.031 56.287 -0.030 0.000 1.099 87 K CB 0.865 33.370 32.500 0.008 0.000 0.863 87 K HN 0.389 nan 8.250 nan 0.000 0.529 88 A N 2.275 125.034 122.820 -0.102 0.000 2.279 88 A HA 0.382 4.704 4.320 0.003 0.000 0.303 88 A C -0.354 177.150 177.584 -0.133 0.000 1.108 88 A CA -0.403 51.574 52.037 -0.101 0.000 0.830 88 A CB 0.528 19.372 19.000 -0.260 0.000 1.106 88 A HN 0.268 nan 8.150 nan 0.000 0.493 89 D N -1.177 119.208 120.400 -0.026 0.000 2.958 89 D HA 0.269 4.911 4.640 0.003 0.000 0.306 89 D C 0.094 176.421 176.300 0.046 0.000 1.226 89 D CA -0.502 53.431 54.000 -0.112 0.000 1.032 89 D CB -0.244 40.499 40.800 -0.094 0.000 1.400 89 D HN 0.278 nan 8.370 nan 0.000 0.587 90 F N -1.211 118.676 119.950 -0.106 0.000 2.546 90 F HA 0.109 4.638 4.527 0.003 0.000 0.298 90 F C 1.077 176.629 175.800 -0.414 0.000 1.120 90 F CA 0.254 58.056 58.000 -0.330 0.000 1.456 90 F CB -0.061 38.533 39.000 -0.677 0.000 1.088 90 F HN 0.060 nan 8.300 nan 0.000 0.572 91 F N -1.085 119.030 119.950 0.276 0.000 2.678 91 F HA 0.148 4.677 4.527 0.003 0.000 0.305 91 F C 1.122 177.014 175.800 0.154 0.000 1.090 91 F CA -0.295 57.805 58.000 0.166 0.000 1.272 91 F CB -0.230 38.820 39.000 0.083 0.000 1.060 91 F HN -0.316 nan 8.300 nan 0.000 0.576 92 S N 0.175 116.076 115.700 0.335 0.000 2.681 92 S HA 0.308 4.780 4.470 0.003 0.000 0.270 92 S C -0.069 174.659 174.600 0.213 0.000 1.209 92 S CA -0.699 57.664 58.200 0.272 0.000 0.988 92 S CB 0.554 63.938 63.200 0.306 0.000 1.006 92 S HN 0.082 nan 8.310 nan 0.000 0.558 93 N N 1.025 119.780 118.700 0.092 0.000 2.362 93 N HA 0.582 5.324 4.740 0.003 0.000 0.298 93 N C -1.297 174.187 175.510 -0.043 0.000 1.048 93 N CA -0.416 52.525 53.050 -0.182 0.000 0.858 93 N CB 1.508 39.830 38.487 -0.276 0.000 1.218 93 N HN 0.722 nan 8.380 nan 0.000 0.488 94 Y N -2.542 117.646 120.300 -0.188 0.000 2.592 94 Y HA 0.585 5.137 4.550 0.002 0.000 0.334 94 Y C -1.127 174.699 175.900 -0.124 0.000 1.136 94 Y CA -1.287 56.756 58.100 -0.094 0.000 1.042 94 Y CB 0.473 38.950 38.460 0.028 0.000 1.325 94 Y HN 0.095 nan 8.280 nan 0.000 0.457 95 V N 3.417 123.408 119.914 0.127 0.000 2.509 95 V HA 0.198 4.320 4.120 0.003 0.000 0.284 95 V C 0.176 176.338 176.094 0.113 0.000 1.047 95 V CA -0.223 62.124 62.300 0.078 0.000 0.952 95 V CB 1.141 33.073 31.823 0.181 0.000 0.988 95 V HN 0.893 nan 8.190 nan 0.000 0.469 96 L N 3.359 124.522 121.223 -0.100 0.000 2.356 96 L HA 0.364 4.706 4.340 0.003 0.000 0.193 96 L C 0.007 176.625 176.870 -0.419 0.000 1.087 96 L CA 1.151 55.645 54.840 -0.577 0.000 0.817 96 L CB 0.132 41.547 42.059 -1.072 0.000 1.035 96 L HN 0.497 nan 8.230 nan 0.000 0.482 97 W N -0.371 120.988 121.300 0.098 0.000 3.032 97 W HA 0.654 5.316 4.660 0.003 0.000 0.335 97 W C -1.071 175.585 176.519 0.229 0.000 1.154 97 W CA -1.106 56.349 57.345 0.183 0.000 1.204 97 W CB 1.422 30.901 29.460 0.030 0.000 1.416 97 W HN -0.300 nan 8.180 nan 0.000 0.521 98 I N 2.412 123.290 120.570 0.513 0.000 2.563 98 I HA 0.182 4.354 4.170 0.003 0.000 0.285 98 I C -0.446 175.784 176.117 0.188 0.000 1.123 98 I CA -0.501 60.923 61.300 0.207 0.000 1.059 98 I CB 2.087 40.008 38.000 -0.132 0.000 1.229 98 I HN 0.450 nan 8.210 nan 0.000 0.442 99 E N 3.151 123.436 120.200 0.142 0.000 2.454 99 E HA 0.484 4.836 4.350 0.003 0.000 0.279 99 E C -1.245 175.406 176.600 0.086 0.000 1.029 99 E CA -0.898 55.568 56.400 0.110 0.000 0.831 99 E CB 1.547 31.285 29.700 0.063 0.000 1.405 99 E HN 0.209 nan 8.360 nan 0.000 0.463 100 T N 1.414 116.015 114.554 0.078 0.000 2.902 100 T HA 0.145 4.497 4.350 0.003 0.000 0.301 100 T C -0.252 174.486 174.700 0.062 0.000 1.012 100 T CA -0.209 61.931 62.100 0.067 0.000 1.151 100 T CB 0.111 69.017 68.868 0.064 0.000 0.946 100 T HN 0.354 nan 8.240 nan 0.000 0.542 101 L N 5.299 126.570 121.223 0.080 0.000 2.268 101 L HA 0.331 4.673 4.340 0.003 0.000 0.289 101 L C 0.271 177.207 176.870 0.109 0.000 1.064 101 L CA -0.128 54.780 54.840 0.114 0.000 0.824 101 L CB -0.039 42.126 42.059 0.176 0.000 1.202 101 L HN 0.459 nan 8.230 nan 0.000 0.433 102 K N 5.644 126.114 120.400 0.117 0.000 2.319 102 K HA 0.248 4.570 4.320 0.003 0.000 0.265 102 K C -2.146 174.531 176.600 0.128 0.000 1.000 102 K CA -1.424 54.929 56.287 0.109 0.000 0.943 102 K CB -0.015 32.594 32.500 0.182 0.000 0.950 102 K HN 0.460 nan 8.250 nan 0.000 0.485 103 P HA 0.007 nan 4.420 nan 0.000 0.270 103 P C -0.655 176.742 177.300 0.162 0.000 1.223 103 P CA -0.187 62.933 63.100 0.033 0.000 0.785 103 P CB 0.451 32.083 31.700 -0.114 0.000 0.923 104 N N 0.961 119.730 118.700 0.115 0.000 2.467 104 N HA 0.044 4.786 4.740 0.003 0.000 0.262 104 N C 1.112 176.709 175.510 0.144 0.000 1.234 104 N CA -0.223 52.911 53.050 0.139 0.000 0.952 104 N CB 0.379 38.888 38.487 0.038 0.000 1.158 104 N HN 0.393 nan 8.380 nan 0.000 0.463 105 K N 0.209 120.684 120.400 0.125 0.000 2.057 105 K HA -0.071 4.251 4.320 0.003 0.000 0.206 105 K C 1.292 177.835 176.600 -0.094 0.000 1.050 105 K CA 1.299 57.536 56.287 -0.083 0.000 0.935 105 K CB -0.024 32.270 32.500 -0.344 0.000 0.715 105 K HN 0.456 nan 8.250 nan 0.000 0.439 106 T N 1.655 116.185 114.554 -0.039 0.000 2.746 106 T HA -0.168 4.184 4.350 0.003 0.000 0.267 106 T C 1.569 176.273 174.700 0.007 0.000 1.039 106 T CA 1.767 63.851 62.100 -0.028 0.000 1.142 106 T CB -0.220 68.641 68.868 -0.012 0.000 0.866 106 T HN 0.562 nan 8.240 nan 0.000 0.444 107 E N 1.672 121.882 120.200 0.016 0.000 2.110 107 E HA -0.067 4.285 4.350 0.003 0.000 0.193 107 E C 2.406 179.042 176.600 0.060 0.000 0.988 107 E CA 1.105 57.519 56.400 0.024 0.000 0.804 107 E CB -0.371 29.326 29.700 -0.005 0.000 0.745 107 E HN 0.467 nan 8.360 nan 0.000 0.458 108 A N 1.870 124.743 122.820 0.089 0.000 1.902 108 A HA -0.079 4.243 4.320 0.003 0.000 0.217 108 A C 2.326 180.049 177.584 0.232 0.000 1.181 108 A CA 1.174 53.315 52.037 0.173 0.000 0.623 108 A CB -0.626 18.604 19.000 0.383 0.000 0.818 108 A HN 0.277 nan 8.150 nan 0.000 0.443 109 L N -0.933 120.383 121.223 0.154 0.000 2.156 109 L HA -0.111 4.231 4.340 0.003 0.000 0.208 109 L C 2.704 179.633 176.870 0.099 0.000 1.095 109 L CA 1.520 56.441 54.840 0.136 0.000 0.770 109 L CB -0.799 41.286 42.059 0.043 0.000 0.914 109 L HN 0.339 nan 8.230 nan 0.000 0.439 110 T N -0.982 113.622 114.554 0.083 0.000 2.746 110 T HA -0.256 4.095 4.350 0.003 0.000 0.267 110 T C 1.682 176.436 174.700 0.090 0.000 1.039 110 T CA 1.555 63.696 62.100 0.068 0.000 1.142 110 T CB -0.343 68.558 68.868 0.056 0.000 0.866 110 T HN 0.316 nan 8.240 nan 0.000 0.444 111 Y N 1.770 122.069 120.300 -0.002 0.000 2.114 111 Y HA -0.050 4.502 4.550 0.004 0.000 0.284 111 Y C 1.988 177.893 175.900 0.008 0.000 1.143 111 Y CA 1.122 59.209 58.100 -0.021 0.000 1.135 111 Y CB -0.615 37.801 38.460 -0.074 0.000 0.980 111 Y HN 0.122 nan 8.280 nan 0.000 0.499 112 L N -0.311 120.843 121.223 -0.116 0.000 2.093 112 L HA -0.168 4.174 4.340 0.003 0.000 0.208 112 L C 1.452 178.277 176.870 -0.075 0.000 1.085 112 L CA 1.671 56.429 54.840 -0.137 0.000 0.755 112 L CB -0.351 41.795 42.059 0.145 0.000 0.904 112 L HN 0.210 nan 8.230 nan 0.000 0.435 113 D N -1.367 119.027 120.400 -0.009 0.000 2.454 113 D HA 0.016 4.658 4.640 0.003 0.000 0.214 113 D C 0.880 177.176 176.300 -0.006 0.000 1.088 113 D CA 0.454 54.461 54.000 0.013 0.000 0.855 113 D CB 0.532 41.362 40.800 0.051 0.000 1.025 113 D HN 0.294 nan 8.370 nan 0.000 0.502 114 E N 0.976 121.168 120.200 -0.014 0.000 2.887 114 E HA 0.071 4.423 4.350 0.003 0.000 0.206 114 E C -0.734 175.857 176.600 -0.014 0.000 0.983 114 E CA -0.139 56.258 56.400 -0.006 0.000 1.141 114 E CB 0.798 30.504 29.700 0.010 0.000 1.061 114 E HN 0.009 nan 8.360 nan 0.000 0.468 115 D N 0.902 121.273 120.400 -0.048 0.000 2.737 115 D HA -0.159 4.483 4.640 0.003 0.000 0.233 115 D C 0.533 176.841 176.300 0.014 0.000 1.155 115 D CA 1.138 55.111 54.000 -0.044 0.000 0.667 115 D CB -1.101 39.683 40.800 -0.027 0.000 1.060 115 D HN 0.438 nan 8.370 nan 0.000 0.427 116 G N -0.078 108.750 108.800 0.047 0.000 2.588 116 G HA2 0.264 4.226 3.960 0.003 0.000 0.278 116 G HA3 0.264 4.226 3.960 0.003 0.000 0.278 116 G C 0.240 175.245 174.900 0.175 0.000 1.307 116 G CA -0.413 44.742 45.100 0.093 0.000 1.016 116 G HN -0.028 nan 8.290 nan 0.000 0.503 117 D N -0.546 119.920 120.400 0.110 0.000 2.362 117 D HA 0.106 4.748 4.640 0.003 0.000 0.242 117 D C 0.764 177.068 176.300 0.006 0.000 1.132 117 D CA 0.033 54.074 54.000 0.069 0.000 0.907 117 D CB 1.196 42.000 40.800 0.006 0.000 1.195 117 D HN 0.066 nan 8.370 nan 0.000 0.429 118 L N 2.554 123.677 121.223 -0.167 0.000 2.525 118 L HA 0.046 4.387 4.340 0.003 0.000 0.278 118 L C -1.797 174.884 176.870 -0.316 0.000 1.218 118 L CA -1.143 53.387 54.840 -0.518 0.000 0.878 118 L CB -0.074 41.727 42.059 -0.430 0.000 1.127 118 L HN 0.133 nan 8.230 nan 0.000 0.492 119 P HA 0.131 nan 4.420 nan 0.000 0.270 119 P C -2.420 174.771 177.300 -0.182 0.000 1.223 119 P CA -0.980 61.995 63.100 -0.209 0.000 0.785 119 P CB -0.165 31.406 31.700 -0.216 0.000 0.923 120 P HA 0.096 nan 4.420 nan 0.000 0.265 120 P C -0.354 176.894 177.300 -0.086 0.000 1.187 120 P CA 0.173 63.223 63.100 -0.083 0.000 0.766 120 P CB 0.314 31.986 31.700 -0.047 0.000 0.820 121 R N 3.458 123.914 120.500 -0.074 0.000 2.198 121 R HA 0.347 4.689 4.340 0.003 0.000 0.339 121 R C -0.607 175.683 176.300 -0.016 0.000 1.020 121 R CA 0.016 56.080 56.100 -0.060 0.000 0.864 121 R CB -0.378 29.884 30.300 -0.064 0.000 1.105 121 R HN 0.394 nan 8.270 nan 0.000 0.463 122 N N 1.867 120.572 118.700 0.008 0.000 2.262 122 N HA 0.577 5.319 4.740 0.003 0.000 0.295 122 N C -1.478 174.070 175.510 0.064 0.000 1.161 122 N CA -0.652 52.425 53.050 0.045 0.000 0.767 122 N CB 2.243 40.774 38.487 0.074 0.000 1.499 122 N HN 0.604 nan 8.380 nan 0.000 0.476 123 A N 0.734 123.602 122.820 0.079 0.000 2.337 123 A HA 0.584 4.906 4.320 0.003 0.000 0.329 123 A C -0.073 177.586 177.584 0.125 0.000 1.146 123 A CA -0.685 51.407 52.037 0.091 0.000 0.800 123 A CB 1.021 20.067 19.000 0.077 0.000 1.220 123 A HN 0.654 nan 8.150 nan 0.000 0.472 124 R N 1.246 121.826 120.500 0.132 0.000 2.312 124 R HA 0.563 4.905 4.340 0.003 0.000 0.311 124 R C -0.731 175.672 176.300 0.172 0.000 1.004 124 R CA 0.074 56.272 56.100 0.164 0.000 0.902 124 R CB 1.110 31.497 30.300 0.146 0.000 1.073 124 R HN 0.700 nan 8.270 nan 0.000 0.457 125 T N 2.438 117.107 114.554 0.192 0.000 2.916 125 T HA 0.541 4.893 4.350 0.003 0.000 0.292 125 T C -1.437 173.398 174.700 0.226 0.000 1.055 125 T CA -0.553 61.670 62.100 0.206 0.000 1.009 125 T CB 1.486 70.454 68.868 0.167 0.000 1.118 125 T HN 0.307 nan 8.240 nan 0.000 0.497 126 V N 3.823 123.877 119.914 0.233 0.000 2.525 126 V HA 0.641 4.762 4.120 0.003 0.000 0.299 126 V C -0.702 175.421 176.094 0.049 0.000 1.034 126 V CA -0.678 61.738 62.300 0.192 0.000 0.863 126 V CB 1.734 33.727 31.823 0.284 0.000 0.999 126 V HN 0.778 nan 8.190 nan 0.000 0.423 127 V N 4.568 124.471 119.914 -0.018 0.000 2.588 127 V HA 0.409 4.531 4.120 0.003 0.000 0.304 127 V C -1.010 174.797 176.094 -0.478 0.000 1.042 127 V CA -0.926 61.183 62.300 -0.319 0.000 0.877 127 V CB 2.060 33.555 31.823 -0.547 0.000 0.996 127 V HN 0.782 nan 8.190 nan 0.000 0.425 128 Y N 4.725 124.500 120.300 -0.875 0.000 2.336 128 Y HA 0.580 5.132 4.550 0.003 0.000 0.335 128 Y C -0.881 174.305 175.900 -1.190 0.000 1.046 128 Y CA -0.856 56.538 58.100 -1.176 0.000 1.198 128 Y CB 0.782 38.225 38.460 -1.694 0.000 1.182 128 Y HN 0.520 nan 8.280 nan 0.000 0.502 129 F N 4.935 123.934 119.950 -1.584 0.000 2.347 129 F HA 0.386 4.914 4.527 0.002 0.000 0.366 129 F C 0.898 175.792 175.800 -1.511 0.000 1.107 129 F CA -0.380 56.842 58.000 -1.298 0.000 1.058 129 F CB 1.789 40.094 39.000 -1.158 0.000 1.236 129 F HN 0.786 nan 8.300 nan 0.000 0.456 130 G N 1.510 109.829 108.800 -0.802 0.000 3.159 130 G HA2 -0.022 3.940 3.960 0.003 0.000 0.232 130 G HA3 -0.022 3.940 3.960 0.003 0.000 0.232 130 G C 1.146 176.004 174.900 -0.071 0.000 1.116 130 G CA -0.050 44.824 45.100 -0.376 0.000 0.767 130 G HN 0.702 nan 8.290 nan 0.000 0.547 131 E N 0.402 120.569 120.200 -0.056 0.000 2.338 131 E HA 0.116 4.468 4.350 0.003 0.000 0.197 131 E C 1.419 178.043 176.600 0.041 0.000 1.007 131 E CA 0.457 56.883 56.400 0.044 0.000 0.849 131 E CB -0.010 29.726 29.700 0.060 0.000 0.774 131 E HN 0.208 nan 8.360 nan 0.000 0.506 132 G N 0.619 109.419 108.800 0.001 0.000 2.525 132 G HA2 0.017 3.979 3.960 0.003 0.000 0.287 132 G HA3 0.017 3.979 3.960 0.003 0.000 0.287 132 G C 0.442 175.377 174.900 0.058 0.000 1.350 132 G CA -0.449 44.672 45.100 0.035 0.000 1.039 132 G HN -0.010 nan 8.290 nan 0.000 0.513 133 E N -0.314 119.923 120.200 0.063 0.000 2.204 133 E HA -0.028 4.324 4.350 0.003 0.000 0.194 133 E C 0.197 176.837 176.600 0.067 0.000 0.989 133 E CA 0.956 57.396 56.400 0.066 0.000 0.824 133 E CB 0.257 29.988 29.700 0.053 0.000 0.756 133 E HN 0.276 nan 8.360 nan 0.000 0.477 134 E N -0.660 119.583 120.200 0.073 0.000 2.266 134 E HA 0.463 4.814 4.350 0.003 0.000 0.268 134 E C -0.286 176.344 176.600 0.049 0.000 0.879 134 E CA -0.589 55.852 56.400 0.069 0.000 0.762 134 E CB 1.817 31.585 29.700 0.112 0.000 1.199 134 E HN 0.030 nan 8.360 nan 0.000 0.422 135 G N 1.332 110.109 108.800 -0.039 0.000 2.448 135 G HA2 0.544 4.506 3.960 0.003 0.000 0.285 135 G HA3 0.544 4.506 3.960 0.003 0.000 0.285 135 G C -1.065 173.873 174.900 0.063 0.000 1.176 135 G CA -0.189 44.814 45.100 -0.161 0.000 0.852 135 G HN 0.450 nan 8.290 nan 0.000 0.530 136 Y N -1.386 118.783 120.300 -0.217 0.000 2.641 136 Y HA 0.658 5.209 4.550 0.003 0.000 0.333 136 Y C -1.584 174.194 175.900 -0.202 0.000 1.174 136 Y CA -2.264 55.822 58.100 -0.023 0.000 1.057 136 Y CB 0.828 39.302 38.460 0.023 0.000 1.322 136 Y HN 0.398 nan 8.280 nan 0.000 0.457 137 F N 1.475 121.595 119.950 0.283 0.000 2.399 137 F HA 0.564 5.094 4.527 0.004 0.000 0.334 137 F C 0.196 176.173 175.800 0.296 0.000 1.097 137 F CA -0.390 57.723 58.000 0.189 0.000 1.076 137 F CB 1.792 40.886 39.000 0.157 0.000 1.162 137 F HN 0.645 nan 8.300 nan 0.000 0.495 138 E N 1.859 122.309 120.200 0.416 0.000 2.248 138 E HA 0.299 4.651 4.350 0.003 0.000 0.267 138 E C -1.395 175.366 176.600 0.268 0.000 0.877 138 E CA -0.706 55.913 56.400 0.365 0.000 0.759 138 E CB 1.316 31.268 29.700 0.420 0.000 1.182 138 E HN 0.611 nan 8.360 nan 0.000 0.418 139 E N 3.634 123.962 120.200 0.212 0.000 2.249 139 E HA 0.385 4.737 4.350 0.003 0.000 0.280 139 E C -0.663 176.038 176.600 0.168 0.000 1.016 139 E CA -0.372 56.145 56.400 0.196 0.000 0.830 139 E CB 1.341 31.154 29.700 0.189 0.000 1.081 139 E HN 0.354 nan 8.360 nan 0.000 0.395 140 L N 2.642 123.976 121.223 0.184 0.000 2.408 140 L HA 0.412 4.754 4.340 0.003 0.000 0.268 140 L C -0.343 176.632 176.870 0.176 0.000 0.986 140 L CA -0.875 54.071 54.840 0.178 0.000 0.820 140 L CB 2.091 44.279 42.059 0.215 0.000 1.303 140 L HN 0.354 nan 8.230 nan 0.000 0.411 141 K N 2.393 122.890 120.400 0.162 0.000 2.201 141 K HA 0.610 4.932 4.320 0.003 0.000 0.278 141 K C -1.370 175.312 176.600 0.137 0.000 1.027 141 K CA -0.440 55.943 56.287 0.160 0.000 0.909 141 K CB 1.456 34.056 32.500 0.168 0.000 1.062 141 K HN 0.391 nan 8.250 nan 0.000 0.465 142 V N 3.447 123.435 119.914 0.123 0.000 2.407 142 V HA 0.723 4.844 4.120 0.003 0.000 0.291 142 V C 0.142 176.282 176.094 0.076 0.000 1.018 142 V CA -0.368 61.991 62.300 0.099 0.000 0.842 142 V CB 1.082 32.965 31.823 0.099 0.000 0.996 142 V HN 1.047 nan 8.190 nan 0.000 0.426 143 G N 5.852 114.688 108.800 0.060 0.000 2.328 143 G HA2 0.540 4.502 3.960 0.003 0.000 0.295 143 G HA3 0.540 4.502 3.960 0.003 0.000 0.295 143 G C -3.521 171.396 174.900 0.029 0.000 1.413 143 G CA -0.694 44.430 45.100 0.041 0.000 0.817 143 G HN 0.454 nan 8.290 nan 0.000 0.546 144 P HA 0.540 nan 4.420 nan 0.000 0.276 144 P C -0.442 176.861 177.300 0.004 0.000 1.261 144 P CA -0.354 62.749 63.100 0.005 0.000 0.800 144 P CB 1.217 32.912 31.700 -0.009 0.000 1.066 145 L N 0.589 121.810 121.223 -0.002 0.000 2.330 145 L HA 0.525 4.867 4.340 0.003 0.000 0.271 145 L C -2.060 174.801 176.870 -0.014 0.000 1.013 145 L CA -2.440 52.398 54.840 -0.003 0.000 0.816 145 L CB 1.031 43.091 42.059 0.002 0.000 1.287 145 L HN 0.224 nan 8.230 nan 0.000 0.435 146 P HA 0.076 nan 4.420 nan 0.000 0.270 146 P C -0.606 176.693 177.300 -0.003 0.000 1.223 146 P CA -0.468 62.627 63.100 -0.007 0.000 0.785 146 P CB 0.449 32.143 31.700 -0.009 0.000 0.923 147 V N 1.786 121.701 119.914 0.001 0.000 2.557 147 V HA 0.217 4.339 4.120 0.003 0.000 0.301 147 V C 0.923 177.018 176.094 0.002 0.000 1.026 147 V CA 1.195 63.498 62.300 0.005 0.000 1.137 147 V CB -0.355 31.473 31.823 0.009 0.000 0.917 147 V HN 0.917 nan 8.190 nan 0.000 0.484 148 S N 2.655 118.356 115.700 0.002 0.000 2.790 148 S HA 0.372 4.843 4.470 0.003 0.000 0.292 148 S C 0.212 174.812 174.600 0.000 0.000 1.197 148 S CA -0.660 57.540 58.200 -0.000 0.000 0.851 148 S CB 1.643 64.841 63.200 -0.003 0.000 1.217 148 S HN 0.513 nan 8.310 nan 0.000 0.526 149 D N 0.528 120.927 120.400 -0.001 0.000 2.371 149 D HA 0.040 4.682 4.640 0.003 0.000 0.221 149 D C 1.176 177.475 176.300 -0.001 0.000 0.986 149 D CA 0.670 54.669 54.000 -0.001 0.000 0.899 149 D CB 0.036 40.834 40.800 -0.002 0.000 0.902 149 D HN 0.705 nan 8.370 nan 0.000 0.530 150 E N 0.223 120.423 120.200 -0.000 0.000 2.385 150 E HA -0.025 4.327 4.350 0.003 0.000 0.194 150 E C -0.032 176.571 176.600 0.004 0.000 1.013 150 E CA 0.194 56.594 56.400 0.000 0.000 0.866 150 E CB 0.432 30.131 29.700 -0.002 0.000 0.832 150 E HN -0.032 nan 8.360 nan 0.000 0.500 151 T N 1.601 116.158 114.554 0.006 0.000 2.888 151 T HA 0.103 4.455 4.350 0.003 0.000 0.301 151 T C 0.161 174.871 174.700 0.017 0.000 1.001 151 T CA 0.208 62.316 62.100 0.013 0.000 1.147 151 T CB 1.146 70.023 68.868 0.015 0.000 0.931 151 T HN 0.205 nan 8.240 nan 0.000 0.541 152 T N 0.275 114.845 114.554 0.026 0.000 2.926 152 T HA 0.775 5.127 4.350 0.003 0.000 0.289 152 T C -0.501 174.231 174.700 0.053 0.000 1.054 152 T CA -1.001 61.117 62.100 0.031 0.000 1.015 152 T CB 1.100 69.986 68.868 0.030 0.000 1.167 152 T HN 0.439 nan 8.240 nan 0.000 0.526 153 I N 1.158 121.765 120.570 0.063 0.000 2.418 153 I HA 0.496 4.668 4.170 0.003 0.000 0.287 153 I C -0.401 175.782 176.117 0.110 0.000 1.008 153 I CA -0.669 60.696 61.300 0.108 0.000 1.104 153 I CB 1.816 39.901 38.000 0.141 0.000 1.264 153 I HN 0.724 nan 8.210 nan 0.000 0.438 154 E N 6.664 126.934 120.200 0.116 0.000 2.367 154 E HA 0.440 4.792 4.350 0.003 0.000 0.273 154 E C -2.650 174.013 176.600 0.104 0.000 0.903 154 E CA -2.135 54.323 56.400 0.096 0.000 0.764 154 E CB 2.144 31.890 29.700 0.076 0.000 1.252 154 E HN 0.233 nan 8.360 nan 0.000 0.446 155 P HA -0.026 nan 4.420 nan 0.000 0.266 155 P C -1.166 176.168 177.300 0.057 0.000 1.195 155 P CA -0.113 63.024 63.100 0.061 0.000 0.768 155 P CB 0.360 32.072 31.700 0.021 0.000 0.838 156 L N 3.189 124.437 121.223 0.041 0.000 2.349 156 L HA 0.505 4.847 4.340 0.003 0.000 0.278 156 L C 0.344 177.100 176.870 -0.189 0.000 0.996 156 L CA 0.486 55.322 54.840 -0.008 0.000 0.825 156 L CB 1.190 43.291 42.059 0.069 0.000 1.243 156 L HN 0.453 nan 8.230 nan 0.000 0.412 157 S N 2.198 117.723 115.700 -0.292 0.000 2.760 157 S HA 0.013 4.484 4.470 0.003 0.000 0.263 157 S C 1.098 175.408 174.600 -0.483 0.000 1.007 157 S CA 0.170 58.122 58.200 -0.413 0.000 1.358 157 S CB -0.883 62.218 63.200 -0.165 0.000 1.228 157 S HN 0.560 nan 8.310 nan 0.000 0.684 158 F N 3.138 122.860 119.950 -0.379 0.000 2.216 158 F HA 0.026 4.554 4.527 0.003 0.000 0.300 158 F C 1.777 177.499 175.800 -0.130 0.000 1.085 158 F CA 0.752 58.639 58.000 -0.188 0.000 1.326 158 F CB -1.142 37.818 39.000 -0.067 0.000 1.027 158 F HN 0.369 nan 8.300 nan 0.000 0.497 159 Y N -0.640 119.329 120.300 -0.553 0.000 2.490 159 Y HA 0.387 4.939 4.550 0.003 0.000 0.281 159 Y C -0.221 175.629 175.900 -0.082 0.000 1.174 159 Y CA -1.474 56.464 58.100 -0.270 0.000 1.295 159 Y CB -1.514 36.698 38.460 -0.413 0.000 1.062 159 Y HN -0.068 nan 8.280 nan 0.000 0.522 160 N N 1.495 120.108 118.700 -0.146 0.000 2.419 160 N HA 0.060 4.802 4.740 0.003 0.000 0.264 160 N C 1.045 176.573 175.510 0.029 0.000 1.031 160 N CA 0.594 53.645 53.050 0.002 0.000 0.951 160 N CB 1.639 40.081 38.487 -0.076 0.000 1.101 160 N HN 0.416 nan 8.380 nan 0.000 0.488 161 T N -1.453 113.150 114.554 0.082 0.000 3.007 161 T HA -0.156 4.196 4.350 0.003 0.000 0.270 161 T C 1.171 175.891 174.700 0.035 0.000 1.107 161 T CA 0.705 62.852 62.100 0.079 0.000 1.118 161 T CB -0.130 68.791 68.868 0.088 0.000 0.889 161 T HN 0.474 nan 8.240 nan 0.000 0.506 162 N N 1.719 120.431 118.700 0.020 0.000 2.461 162 N HA 0.155 4.897 4.740 0.003 0.000 0.188 162 N C 1.578 177.088 175.510 -0.001 0.000 1.134 162 N CA 0.709 53.765 53.050 0.010 0.000 0.878 162 N CB -0.760 37.734 38.487 0.012 0.000 0.972 162 N HN 0.622 nan 8.380 nan 0.000 0.456 163 G N -0.341 108.453 108.800 -0.009 0.000 2.162 163 G HA2 -0.317 3.644 3.960 0.003 0.000 0.260 163 G HA3 -0.317 3.644 3.960 0.003 0.000 0.260 163 G C -0.365 174.514 174.900 -0.034 0.000 0.976 163 G CA 0.533 45.622 45.100 -0.019 0.000 0.655 163 G HN 0.538 nan 8.290 nan 0.000 0.533 164 K N 0.122 120.500 120.400 -0.037 0.000 2.207 164 K HA 0.575 4.897 4.320 0.003 0.000 0.255 164 K C 1.322 177.895 176.600 -0.045 0.000 0.941 164 K CA -0.055 56.209 56.287 -0.038 0.000 0.825 164 K CB 1.621 34.108 32.500 -0.021 0.000 1.119 164 K HN 0.227 nan 8.250 nan 0.000 0.430 165 S N 1.557 117.232 115.700 -0.041 0.000 2.503 165 S HA 0.050 4.522 4.470 0.003 0.000 0.217 165 S C 0.278 174.905 174.600 0.045 0.000 0.999 165 S CA 0.087 58.279 58.200 -0.013 0.000 0.914 165 S CB 0.034 63.230 63.200 -0.008 0.000 0.782 165 S HN 0.417 nan 8.310 nan 0.000 0.520 166 K N 1.191 121.596 120.400 0.008 0.000 2.213 166 K HA 0.500 4.822 4.320 0.003 0.000 0.270 166 K C -1.516 175.146 176.600 0.102 0.000 1.002 166 K CA -0.670 55.643 56.287 0.044 0.000 0.868 166 K CB 1.689 34.066 32.500 -0.206 0.000 1.093 166 K HN 0.147 nan 8.250 nan 0.000 0.454 167 L N 5.698 127.061 121.223 0.232 0.000 2.276 167 L HA 0.381 4.723 4.340 0.003 0.000 0.286 167 L C -2.625 174.435 176.870 0.316 0.000 1.024 167 L CA -2.062 52.915 54.840 0.228 0.000 0.826 167 L CB 0.895 43.093 42.059 0.230 0.000 1.211 167 L HN 0.388 nan 8.230 nan 0.000 0.422 168 P HA 0.010 nan 4.420 nan 0.000 0.269 168 P C 0.446 177.907 177.300 0.268 0.000 1.209 168 P CA 0.033 63.269 63.100 0.227 0.000 0.776 168 P CB 0.350 32.112 31.700 0.103 0.000 0.876 169 F N 3.032 123.080 119.950 0.163 0.000 2.115 169 F HA -0.284 4.245 4.527 0.003 0.000 0.300 169 F C 1.846 177.652 175.800 0.009 0.000 1.092 169 F CA 1.863 59.941 58.000 0.130 0.000 1.245 169 F CB -0.179 38.840 39.000 0.032 0.000 0.995 169 F HN 0.298 nan 8.300 nan 0.000 0.481 170 E N 0.069 120.260 120.200 -0.016 0.000 2.204 170 E HA -0.121 4.231 4.350 0.003 0.000 0.195 170 E C 1.936 178.302 176.600 -0.390 0.000 0.990 170 E CA 1.547 57.783 56.400 -0.273 0.000 0.821 170 E CB -0.596 28.847 29.700 -0.428 0.000 0.750 170 E HN 0.492 nan 8.360 nan 0.000 0.477 171 V N -2.306 117.438 119.914 -0.282 0.000 3.177 171 V HA 0.462 4.584 4.120 0.003 0.000 0.342 171 V C 0.854 176.878 176.094 -0.117 0.000 1.379 171 V CA -0.042 62.146 62.300 -0.186 0.000 1.191 171 V CB 0.102 31.853 31.823 -0.121 0.000 1.167 171 V HN -0.040 nan 8.190 nan 0.000 0.471 172 G N 0.036 108.756 108.800 -0.132 0.000 2.651 172 G HA2 0.262 4.224 3.960 0.003 0.000 0.260 172 G HA3 0.262 4.224 3.960 0.003 0.000 0.260 172 G C -0.354 174.418 174.900 -0.213 0.000 1.216 172 G CA -0.298 44.771 45.100 -0.052 0.000 0.913 172 G HN 0.699 nan 8.290 nan 0.000 0.535 173 H N -0.820 117.865 119.070 -0.641 0.000 2.815 173 H HA 0.168 4.726 4.556 0.003 0.000 0.350 173 H C 0.328 175.536 175.328 -0.201 0.000 1.080 173 H CA -0.632 55.142 56.048 -0.457 0.000 1.433 173 H CB 1.012 30.375 29.762 -0.665 0.000 1.432 173 H HN 0.248 nan 8.280 nan 0.000 0.592 174 L N 6.108 126.908 121.223 -0.705 0.000 2.415 174 L HA 0.154 4.496 4.340 0.003 0.000 0.269 174 L C -0.558 176.030 176.870 -0.470 0.000 1.244 174 L CA -0.065 54.517 54.840 -0.431 0.000 1.113 174 L CB -1.447 40.437 42.059 -0.292 0.000 1.352 174 L HN 0.785 nan 8.230 nan 0.000 0.433 175 D N 1.618 121.944 120.400 -0.124 0.000 2.539 175 D HA 0.196 4.838 4.640 0.003 0.000 0.276 175 D C 0.930 177.293 176.300 0.104 0.000 1.206 175 D CA -0.480 53.615 54.000 0.158 0.000 1.081 175 D CB 0.536 41.630 40.800 0.491 0.000 1.142 175 D HN 0.256 nan 8.370 nan 0.000 0.595 176 R N -0.876 119.619 120.500 -0.009 0.000 2.120 176 R HA -0.042 4.300 4.340 0.003 0.000 0.234 176 R C 1.898 178.139 176.300 -0.098 0.000 1.123 176 R CA 0.826 56.814 56.100 -0.187 0.000 0.975 176 R CB -0.286 29.685 30.300 -0.549 0.000 0.866 176 R HN 0.453 nan 8.270 nan 0.000 0.446 177 I N 0.896 121.432 120.570 -0.057 0.000 2.233 177 I HA -0.194 3.978 4.170 0.003 0.000 0.243 177 I C 2.298 178.458 176.117 0.070 0.000 1.093 177 I CA 1.345 62.596 61.300 -0.083 0.000 1.380 177 I CB -0.892 37.038 38.000 -0.117 0.000 1.067 177 I HN 0.099 nan 8.210 nan 0.000 0.413 178 K N 0.862 121.438 120.400 0.292 0.000 2.097 178 K HA -0.097 4.224 4.320 0.003 0.000 0.205 178 K C 2.275 179.058 176.600 0.305 0.000 1.050 178 K CA 1.393 57.951 56.287 0.451 0.000 0.938 178 K CB 0.137 32.836 32.500 0.331 0.000 0.718 178 K HN 0.085 nan 8.250 nan 0.000 0.442 179 S N 0.491 116.299 115.700 0.180 0.000 2.368 179 S HA -0.141 4.330 4.470 0.003 0.000 0.225 179 S C 1.982 176.678 174.600 0.159 0.000 1.030 179 S CA 1.167 59.470 58.200 0.172 0.000 0.999 179 S CB -0.263 63.010 63.200 0.122 0.000 0.844 179 S HN 0.526 nan 8.310 nan 0.000 0.459 180 A N 1.536 124.407 122.820 0.085 0.000 1.902 180 A HA 0.103 4.425 4.320 0.003 0.000 0.217 180 A C 2.350 179.978 177.584 0.073 0.000 1.181 180 A CA 1.705 53.768 52.037 0.042 0.000 0.623 180 A CB -1.059 17.913 19.000 -0.046 0.000 0.818 180 A HN 0.514 nan 8.150 nan 0.000 0.443 181 A N -0.159 122.715 122.820 0.089 0.000 1.902 181 A HA -0.154 4.168 4.320 0.003 0.000 0.217 181 A C 2.114 179.914 177.584 0.361 0.000 1.181 181 A CA 1.824 53.931 52.037 0.116 0.000 0.623 181 A CB -0.410 18.662 19.000 0.119 0.000 0.818 181 A HN 0.549 nan 8.150 nan 0.000 0.443 182 K N -0.432 120.252 120.400 0.474 0.000 2.057 182 K HA -0.096 4.226 4.320 0.003 0.000 0.206 182 K C 2.461 179.272 176.600 0.352 0.000 1.050 182 K CA 1.338 57.926 56.287 0.500 0.000 0.935 182 K CB -0.234 32.523 32.500 0.428 0.000 0.715 182 K HN 0.453 nan 8.250 nan 0.000 0.439 183 S N 0.572 116.427 115.700 0.258 0.000 2.356 183 S HA -0.151 4.320 4.470 0.003 0.000 0.223 183 S C 2.046 176.735 174.600 0.148 0.000 1.032 183 S CA 1.765 60.079 58.200 0.190 0.000 1.005 183 S CB -0.199 63.089 63.200 0.146 0.000 0.867 183 S HN 0.195 nan 8.310 nan 0.000 0.449 184 S N 0.774 116.556 115.700 0.136 0.000 2.356 184 S HA -0.065 4.407 4.470 0.003 0.000 0.223 184 S C 1.443 176.101 174.600 0.097 0.000 1.032 184 S CA 1.491 59.743 58.200 0.087 0.000 1.005 184 S CB -0.709 62.520 63.200 0.049 0.000 0.867 184 S HN 0.699 nan 8.310 nan 0.000 0.449 185 F N 2.364 122.341 119.950 0.044 0.000 2.095 185 F HA -0.117 4.412 4.527 0.003 0.000 0.298 185 F C 1.807 177.580 175.800 -0.045 0.000 1.104 185 F CA 1.345 59.371 58.000 0.043 0.000 1.232 185 F CB -0.386 38.746 39.000 0.220 0.000 0.987 185 F HN 0.096 nan 8.300 nan 0.000 0.475 186 L N 0.328 121.500 121.223 -0.086 0.000 2.046 186 L HA -0.259 4.083 4.340 0.003 0.000 0.208 186 L C 2.555 179.304 176.870 -0.201 0.000 1.077 186 L CA 1.722 56.412 54.840 -0.251 0.000 0.747 186 L CB -1.029 41.002 42.059 -0.046 0.000 0.896 186 L HN 0.357 nan 8.230 nan 0.000 0.432 187 N N 0.954 119.621 118.700 -0.054 0.000 2.120 187 N HA -0.268 4.474 4.740 0.003 0.000 0.188 187 N C 1.929 177.341 175.510 -0.163 0.000 1.024 187 N CA 1.539 54.579 53.050 -0.017 0.000 0.852 187 N CB 0.057 38.581 38.487 0.062 0.000 1.003 187 N HN 0.285 nan 8.380 nan 0.000 0.424 188 K N 0.445 120.732 120.400 -0.188 0.000 2.147 188 K HA -0.066 4.256 4.320 0.003 0.000 0.205 188 K C 1.553 177.988 176.600 -0.276 0.000 1.049 188 K CA 1.155 57.318 56.287 -0.207 0.000 0.936 188 K CB 0.030 32.426 32.500 -0.174 0.000 0.722 188 K HN 0.263 nan 8.250 nan 0.000 0.446 189 N N 0.020 118.484 118.700 -0.392 0.000 2.387 189 N HA 0.002 4.744 4.740 0.003 0.000 0.176 189 N C 1.581 176.936 175.510 -0.260 0.000 1.022 189 N CA 0.663 53.509 53.050 -0.341 0.000 0.883 189 N CB 0.240 38.431 38.487 -0.494 0.000 1.019 189 N HN 0.180 nan 8.380 nan 0.000 0.435 190 L N 0.318 121.359 121.223 -0.305 0.000 2.509 190 L HA 0.091 4.433 4.340 0.003 0.000 0.222 190 L C 1.050 177.566 176.870 -0.590 0.000 1.123 190 L CA 0.371 55.017 54.840 -0.322 0.000 0.856 190 L CB -0.007 41.946 42.059 -0.176 0.000 0.985 190 L HN -0.018 nan 8.230 nan 0.000 0.456 191 N N -0.169 118.158 118.700 -0.621 0.000 2.238 191 N HA 0.001 4.743 4.740 0.003 0.000 0.222 191 N C 0.489 175.754 175.510 -0.410 0.000 1.133 191 N CA -0.035 52.566 53.050 -0.748 0.000 0.854 191 N CB 0.207 38.244 38.487 -0.749 0.000 1.041 191 N HN 0.178 nan 8.380 nan 0.000 0.510 192 T N -3.873 110.488 114.554 -0.321 0.000 2.802 192 T HA 0.047 4.398 4.350 0.003 0.000 0.305 192 T C 1.501 176.060 174.700 -0.235 0.000 1.053 192 T CA -0.105 61.854 62.100 -0.235 0.000 1.058 192 T CB 0.602 69.352 68.868 -0.196 0.000 0.988 192 T HN -0.006 nan 8.240 nan 0.000 0.539 193 T N 1.034 115.471 114.554 -0.195 0.000 2.684 193 T HA -0.083 4.269 4.350 0.003 0.000 0.267 193 T C 1.944 176.511 174.700 -0.221 0.000 1.036 193 T CA 1.569 63.557 62.100 -0.187 0.000 1.148 193 T CB -0.503 68.267 68.868 -0.163 0.000 0.863 193 T HN 0.576 nan 8.240 nan 0.000 0.436 194 I N 0.531 120.948 120.570 -0.256 0.000 2.179 194 I HA -0.162 4.010 4.170 0.003 0.000 0.242 194 I C 2.495 178.458 176.117 -0.257 0.000 1.088 194 I CA 1.021 62.131 61.300 -0.317 0.000 1.357 194 I CB -0.282 37.505 38.000 -0.356 0.000 1.051 194 I HN 0.208 nan 8.210 nan 0.000 0.409 195 M N -0.032 119.410 119.600 -0.264 0.000 2.254 195 M HA -0.114 4.368 4.480 0.003 0.000 0.265 195 M C 2.329 178.449 176.300 -0.301 0.000 1.066 195 M CA 1.518 56.635 55.300 -0.305 0.000 1.123 195 M CB -1.086 31.322 32.600 -0.321 0.000 1.388 195 M HN 0.182 nan 8.290 nan 0.000 0.425 196 R N 0.068 120.402 120.500 -0.277 0.000 2.091 196 R HA -0.170 4.172 4.340 0.003 0.000 0.238 196 R C 2.010 178.210 176.300 -0.168 0.000 1.136 196 R CA 1.517 57.484 56.100 -0.222 0.000 0.959 196 R CB -0.410 29.774 30.300 -0.193 0.000 0.856 196 R HN 0.444 nan 8.270 nan 0.000 0.437 197 D N 0.242 120.550 120.400 -0.154 0.000 2.097 197 D HA -0.108 4.534 4.640 0.003 0.000 0.197 197 D C 1.849 178.076 176.300 -0.122 0.000 0.984 197 D CA 1.025 54.967 54.000 -0.097 0.000 0.826 197 D CB 0.239 41.016 40.800 -0.037 0.000 0.973 197 D HN -0.013 nan 8.370 nan 0.000 0.460 198 V N 1.325 121.142 119.914 -0.162 0.000 2.287 198 V HA -0.244 3.877 4.120 0.003 0.000 0.248 198 V C 2.817 178.695 176.094 -0.359 0.000 1.053 198 V CA 1.195 63.343 62.300 -0.253 0.000 1.027 198 V CB -0.484 31.161 31.823 -0.297 0.000 0.646 198 V HN 0.248 nan 8.190 nan 0.000 0.447 199 L N -0.335 120.649 121.223 -0.398 0.000 2.017 199 L HA -0.221 4.120 4.340 0.003 0.000 0.208 199 L C 2.606 179.317 176.870 -0.265 0.000 1.073 199 L CA 2.187 56.760 54.840 -0.445 0.000 0.745 199 L CB -0.594 41.253 42.059 -0.353 0.000 0.894 199 L HN 0.407 nan 8.230 nan 0.000 0.432 200 E N 0.107 120.202 120.200 -0.174 0.000 2.106 200 E HA -0.175 4.177 4.350 0.003 0.000 0.192 200 E C 2.165 178.700 176.600 -0.109 0.000 0.984 200 E CA 1.095 57.429 56.400 -0.110 0.000 0.806 200 E CB -0.133 29.522 29.700 -0.074 0.000 0.750 200 E HN 0.446 nan 8.360 nan 0.000 0.458 201 G N 0.776 109.492 108.800 -0.140 0.000 2.408 201 G HA2 -0.202 3.760 3.960 0.003 0.000 0.217 201 G HA3 -0.202 3.760 3.960 0.003 0.000 0.217 201 G C 1.503 176.329 174.900 -0.124 0.000 1.150 201 G CA 0.591 45.614 45.100 -0.128 0.000 0.776 201 G HN 0.202 nan 8.290 nan 0.000 0.542 202 L N -0.520 120.586 121.223 -0.196 0.000 2.162 202 L HA 0.258 4.600 4.340 0.003 0.000 0.205 202 L C 2.574 179.410 176.870 -0.057 0.000 1.086 202 L CA 0.453 55.179 54.840 -0.190 0.000 0.778 202 L CB -0.083 41.713 42.059 -0.437 0.000 0.928 202 L HN 0.173 nan 8.230 nan 0.000 0.446 203 I N -1.190 119.333 120.570 -0.079 0.000 3.081 203 I HA 0.123 4.295 4.170 0.003 0.000 0.274 203 I C 1.582 177.711 176.117 0.020 0.000 1.178 203 I CA 0.829 62.123 61.300 -0.010 0.000 1.460 203 I CB 0.212 38.182 38.000 -0.051 0.000 1.137 203 I HN 0.360 nan 8.210 nan 0.000 0.443 204 G N 1.605 110.401 108.800 -0.006 0.000 2.176 204 G HA2 -0.189 3.773 3.960 0.003 0.000 0.232 204 G HA3 -0.189 3.773 3.960 0.003 0.000 0.232 204 G C 0.245 175.148 174.900 0.005 0.000 0.986 204 G CA 0.076 45.183 45.100 0.012 0.000 0.643 204 G HN 0.401 nan 8.290 nan 0.000 0.522 205 V N -2.903 117.005 119.914 -0.009 0.000 3.007 205 V HA 0.958 5.079 4.120 0.003 0.000 0.311 205 V C -2.506 173.575 176.094 -0.022 0.000 1.120 205 V CA -2.169 60.124 62.300 -0.011 0.000 0.980 205 V CB 2.462 34.281 31.823 -0.007 0.000 1.033 205 V HN 0.107 nan 8.190 nan 0.000 0.429 206 P HA 0.144 nan 4.420 nan 0.000 0.274 206 P C 0.145 177.461 177.300 0.026 0.000 1.256 206 P CA -0.018 63.083 63.100 0.002 0.000 0.795 206 P CB 0.657 32.361 31.700 0.006 0.000 1.038 207 Y N 1.263 121.510 120.300 -0.088 0.000 2.193 207 Y HA -0.272 4.280 4.550 0.003 0.000 0.285 207 Y C 1.988 177.855 175.900 -0.055 0.000 1.166 207 Y CA 2.146 60.196 58.100 -0.084 0.000 1.181 207 Y CB -0.683 37.720 38.460 -0.096 0.000 0.976 207 Y HN 0.307 nan 8.280 nan 0.000 0.520 208 E N -0.076 120.103 120.200 -0.034 0.000 2.265 208 E HA -0.150 4.202 4.350 0.003 0.000 0.196 208 E C 1.179 177.699 176.600 -0.134 0.000 0.996 208 E CA 1.420 57.754 56.400 -0.110 0.000 0.832 208 E CB -0.232 29.452 29.700 -0.026 0.000 0.756 208 E HN 0.501 nan 8.360 nan 0.000 0.491 209 D N -0.822 119.515 120.400 -0.104 0.000 2.340 209 D HA 0.110 4.752 4.640 0.003 0.000 0.217 209 D C 0.539 176.783 176.300 -0.092 0.000 1.081 209 D CA 0.160 54.111 54.000 -0.082 0.000 0.842 209 D CB 0.131 40.903 40.800 -0.046 0.000 0.934 209 D HN 0.292 nan 8.370 nan 0.000 0.511 210 M N -1.910 117.605 119.600 -0.143 0.000 2.691 210 M HA 0.744 5.226 4.480 0.003 0.000 0.293 210 M C -0.585 175.616 176.300 -0.165 0.000 1.259 210 M CA -1.000 54.231 55.300 -0.115 0.000 0.827 210 M CB 2.631 35.188 32.600 -0.073 0.000 1.753 210 M HN -0.198 nan 8.290 nan 0.000 0.465 211 G N 0.625 109.387 108.800 -0.065 0.000 2.687 211 G HA2 0.654 4.616 3.960 0.003 0.000 0.301 211 G HA3 0.654 4.616 3.960 0.003 0.000 0.301 211 G C -1.620 173.374 174.900 0.157 0.000 1.416 211 G CA -0.518 44.568 45.100 -0.024 0.000 1.005 211 G HN 0.924 nan 8.290 nan 0.000 0.509 212 c N 1.733 120.456 118.600 0.206 0.000 2.411 212 c HA 0.971 5.543 4.570 0.003 0.000 0.330 212 c C 0.013 174.396 174.090 0.489 0.000 1.224 212 c CA -0.624 55.935 56.329 0.383 0.000 1.770 212 c CB 0.321 43.049 42.510 0.364 0.000 2.297 212 c HN 1.058 nan 8.230 nan 0.000 0.507 213 H N -1.036 118.281 119.070 0.413 0.000 2.981 213 H HA 0.712 5.270 4.556 0.003 0.000 0.327 213 H C -1.114 174.539 175.328 0.541 0.000 1.342 213 H CA -0.573 55.718 56.048 0.404 0.000 1.123 213 H CB 0.695 30.624 29.762 0.277 0.000 1.851 213 H HN 0.429 nan 8.280 nan 0.000 0.531 214 S N 0.064 116.119 115.700 0.593 0.000 2.549 214 S HA 0.703 5.175 4.470 0.003 0.000 0.297 214 S C -0.078 174.842 174.600 0.533 0.000 1.115 214 S CA -0.381 58.164 58.200 0.575 0.000 1.059 214 S CB 1.492 65.042 63.200 0.582 0.000 1.046 214 S HN 0.878 nan 8.310 nan 0.000 0.506 215 A N 1.609 124.596 122.820 0.279 0.000 2.407 215 A HA 0.687 5.009 4.320 0.003 0.000 0.248 215 A C 0.160 177.737 177.584 -0.011 0.000 1.082 215 A CA -0.367 51.549 52.037 -0.201 0.000 0.785 215 A CB 0.015 18.711 19.000 -0.507 0.000 1.020 215 A HN 1.032 nan 8.150 nan 0.000 0.489 216 A N 3.292 126.100 122.820 -0.020 0.000 2.355 216 A HA 0.837 5.159 4.320 0.003 0.000 0.317 216 A C -2.721 174.846 177.584 -0.028 0.000 1.094 216 A CA -1.799 50.296 52.037 0.095 0.000 0.764 216 A CB 1.182 20.436 19.000 0.423 0.000 1.230 216 A HN 0.649 nan 8.150 nan 0.000 0.448 217 P HA 0.244 nan 4.420 nan 0.000 0.279 217 P C -0.595 176.677 177.300 -0.046 0.000 1.276 217 P CA -0.305 62.789 63.100 -0.011 0.000 0.801 217 P CB 0.587 32.250 31.700 -0.062 0.000 1.127 218 Q N -0.396 119.366 119.800 -0.065 0.000 2.492 218 Q HA 0.296 4.638 4.340 0.003 0.000 0.238 218 Q C -0.352 175.588 176.000 -0.100 0.000 1.045 218 Q CA -0.150 55.585 55.803 -0.114 0.000 0.934 218 Q CB 0.132 28.788 28.738 -0.136 0.000 1.276 218 Q HN 0.359 nan 8.270 nan 0.000 0.521 219 L N 1.971 123.119 121.223 -0.125 0.000 2.356 219 L HA 0.277 4.619 4.340 0.003 0.000 0.264 219 L C -0.694 176.156 176.870 -0.033 0.000 1.029 219 L CA -0.561 54.235 54.840 -0.074 0.000 0.897 219 L CB 0.413 42.411 42.059 -0.101 0.000 1.256 219 L HN 0.569 nan 8.230 nan 0.000 0.444 220 H N 1.398 120.430 119.070 -0.063 0.000 2.527 220 H HA 0.255 4.813 4.556 0.003 0.000 0.321 220 H C -0.882 174.467 175.328 0.035 0.000 1.087 220 H CA -0.350 55.676 56.048 -0.035 0.000 1.337 220 H CB 1.281 31.028 29.762 -0.025 0.000 1.440 220 H HN 0.435 nan 8.280 nan 0.000 0.490 221 D N 5.594 125.638 120.400 -0.594 0.000 2.373 221 D HA 0.227 4.869 4.640 0.003 0.000 0.227 221 D C -1.916 173.999 176.300 -0.643 0.000 1.091 221 D CA -2.425 51.310 54.000 -0.442 0.000 0.840 221 D CB 1.673 42.316 40.800 -0.261 0.000 1.060 221 D HN 0.355 nan 8.370 nan 0.000 0.502 222 P HA -0.111 nan 4.420 nan 0.000 0.216 222 P C 0.993 178.191 177.300 -0.171 0.000 1.150 222 P CA 1.197 64.166 63.100 -0.218 0.000 0.837 222 P CB 0.208 31.828 31.700 -0.132 0.000 0.786 223 A N -0.273 122.428 122.820 -0.198 0.000 1.858 223 A HA -0.185 4.137 4.320 0.003 0.000 0.216 223 A C 2.225 179.751 177.584 -0.098 0.000 1.190 223 A CA 2.801 54.757 52.037 -0.134 0.000 0.617 223 A CB -1.859 17.059 19.000 -0.136 0.000 0.827 223 A HN 0.359 nan 8.150 nan 0.000 0.443 224 T N -5.259 109.226 114.554 -0.116 0.000 3.037 224 T HA 0.417 4.769 4.350 0.003 0.000 0.251 224 T C 1.477 176.146 174.700 -0.052 0.000 1.079 224 T CA 1.095 63.151 62.100 -0.074 0.000 1.067 224 T CB 0.352 69.176 68.868 -0.073 0.000 0.948 224 T HN 1.769 nan 8.240 nan 0.000 0.496 225 G N 1.434 110.177 108.800 -0.095 0.000 2.199 225 G HA2 -0.074 3.888 3.960 0.003 0.000 0.254 225 G HA3 -0.074 3.888 3.960 0.003 0.000 0.254 225 G C 0.340 175.276 174.900 0.061 0.000 0.982 225 G CA -0.047 45.075 45.100 0.037 0.000 0.632 225 G HN 1.191 nan 8.290 nan 0.000 0.529 226 A N -0.045 122.732 122.820 -0.070 0.000 2.371 226 A HA 0.702 5.024 4.320 0.003 0.000 0.257 226 A C 0.455 178.024 177.584 -0.025 0.000 1.089 226 A CA 1.158 53.175 52.037 -0.034 0.000 0.794 226 A CB 0.588 19.547 19.000 -0.068 0.000 1.029 226 A HN 0.794 nan 8.150 nan 0.000 0.488 227 T N 1.691 116.240 114.554 -0.009 0.000 2.840 227 T HA 0.540 4.892 4.350 0.003 0.000 0.287 227 T C -0.130 174.429 174.700 -0.235 0.000 0.991 227 T CA -0.208 61.862 62.100 -0.051 0.000 0.964 227 T CB 0.859 69.715 68.868 -0.020 0.000 0.954 227 T HN 1.225 nan 8.240 nan 0.000 0.438 228 V N 0.157 119.900 119.914 -0.286 0.000 3.158 228 V HA 1.000 5.122 4.120 0.003 0.000 0.315 228 V C -1.296 174.451 176.094 -0.580 0.000 1.148 228 V CA -0.887 61.135 62.300 -0.462 0.000 1.042 228 V CB 2.413 33.990 31.823 -0.410 0.000 1.101 228 V HN 0.711 nan 8.190 nan 0.000 0.448 229 D N -1.116 118.747 120.400 -0.895 0.000 2.717 229 D HA 0.477 5.119 4.640 0.003 0.000 0.223 229 D C -1.786 174.031 176.300 -0.805 0.000 1.240 229 D CA -0.234 53.290 54.000 -0.793 0.000 0.801 229 D CB 2.008 42.279 40.800 -0.883 0.000 1.556 229 D HN 0.588 nan 8.370 nan 0.000 0.462 230 Y N 0.361 120.439 120.300 -0.370 0.000 2.519 230 Y HA 0.764 5.316 4.550 0.003 0.000 0.324 230 Y C 1.265 177.134 175.900 -0.052 0.000 1.214 230 Y CA 0.123 58.102 58.100 -0.202 0.000 1.260 230 Y CB 2.126 40.460 38.460 -0.209 0.000 1.311 230 Y HN 0.424 nan 8.280 nan 0.000 0.505 231 G N -0.633 108.097 108.800 -0.116 0.000 2.608 231 G HA2 0.518 4.480 3.960 0.003 0.000 0.291 231 G HA3 0.518 4.480 3.960 0.003 0.000 0.291 231 G C -1.474 172.969 174.900 -0.762 0.000 1.425 231 G CA -0.555 44.320 45.100 -0.375 0.000 0.787 231 G HN 0.608 nan 8.290 nan 0.000 0.484 232 T N -2.161 111.988 114.554 -0.676 0.000 2.731 232 T HA 0.569 4.921 4.350 0.003 0.000 0.300 232 T C -1.358 173.263 174.700 -0.132 0.000 1.283 232 T CA -0.278 61.565 62.100 -0.429 0.000 1.005 232 T CB 1.147 69.686 68.868 -0.548 0.000 1.420 232 T HN 0.933 nan 8.240 nan 0.000 0.503 233 c N 2.119 120.741 118.600 0.036 0.000 2.561 233 c HA 0.837 5.409 4.570 0.003 0.000 0.319 233 c C -0.416 173.722 174.090 0.080 0.000 1.198 233 c CA -0.834 55.585 56.329 0.149 0.000 1.665 233 c CB 0.700 43.332 42.510 0.204 0.000 2.258 233 c HN 0.931 nan 8.230 nan 0.000 0.493 234 N N 0.936 119.708 118.700 0.121 0.000 2.240 234 N HA 0.580 5.322 4.740 0.003 0.000 0.302 234 N C -0.842 174.685 175.510 0.028 0.000 1.106 234 N CA -0.678 52.416 53.050 0.073 0.000 0.778 234 N CB 0.720 39.246 38.487 0.065 0.000 1.431 234 N HN 0.426 nan 8.380 nan 0.000 0.479 235 I N 1.589 122.171 120.570 0.020 0.000 2.648 235 I HA 0.034 4.206 4.170 0.003 0.000 0.284 235 I C 0.248 176.337 176.117 -0.047 0.000 1.153 235 I CA -0.142 61.153 61.300 -0.007 0.000 1.426 235 I CB -0.319 37.690 38.000 0.014 0.000 1.381 235 I HN 0.406 nan 8.210 nan 0.000 0.571 236 N N 4.585 123.249 118.700 -0.061 0.000 2.492 236 N HA 0.199 4.941 4.740 0.003 0.000 0.262 236 N C 0.272 175.728 175.510 -0.089 0.000 1.202 236 N CA 0.012 53.014 53.050 -0.079 0.000 0.926 236 N CB 0.825 39.264 38.487 -0.080 0.000 1.078 236 N HN 0.703 nan 8.380 nan 0.000 0.454 237 T N -2.182 112.306 114.554 -0.111 0.000 2.887 237 T HA 0.392 4.744 4.350 0.003 0.000 0.292 237 T C 0.428 175.061 174.700 -0.112 0.000 1.087 237 T CA -0.717 61.307 62.100 -0.126 0.000 1.009 237 T CB 1.831 70.588 68.868 -0.186 0.000 1.203 237 T HN 0.209 nan 8.240 nan 0.000 0.518 238 E N 0.482 120.619 120.200 -0.105 0.000 2.474 238 E HA 0.066 4.418 4.350 0.003 0.000 0.194 238 E C 0.897 177.443 176.600 -0.091 0.000 1.041 238 E CA 0.362 56.709 56.400 -0.087 0.000 0.874 238 E CB -0.017 29.638 29.700 -0.074 0.000 0.914 238 E HN 0.885 nan 8.360 nan 0.000 0.498 239 N N -0.132 118.502 118.700 -0.111 0.000 2.282 239 N HA 0.041 4.783 4.740 0.003 0.000 0.240 239 N C -0.270 175.181 175.510 -0.098 0.000 1.182 239 N CA 0.036 53.033 53.050 -0.088 0.000 0.874 239 N CB 0.505 38.948 38.487 -0.073 0.000 1.126 239 N HN -0.286 nan 8.380 nan 0.000 0.516 240 D N -0.476 119.839 120.400 -0.142 0.000 2.981 240 D HA -0.210 4.432 4.640 0.003 0.000 0.223 240 D C 0.227 176.261 176.300 -0.442 0.000 1.151 240 D CA 0.897 54.798 54.000 -0.165 0.000 0.827 240 D CB -1.187 39.598 40.800 -0.024 0.000 1.101 240 D HN 0.619 nan 8.370 nan 0.000 0.426 241 A N -0.189 122.298 122.820 -0.554 0.000 2.507 241 A HA 0.344 4.666 4.320 0.003 0.000 0.270 241 A C 1.608 178.876 177.584 -0.527 0.000 1.318 241 A CA 0.257 51.746 52.037 -0.914 0.000 0.924 241 A CB 0.127 18.658 19.000 -0.783 0.000 1.061 241 A HN 0.237 nan 8.150 nan 0.000 0.516 242 E N 0.535 120.529 120.200 -0.343 0.000 2.171 242 E HA -0.212 4.140 4.350 0.003 0.000 0.197 242 E C 1.432 177.949 176.600 -0.138 0.000 0.997 242 E CA 1.661 57.942 56.400 -0.198 0.000 0.810 242 E CB -0.440 29.162 29.700 -0.163 0.000 0.738 242 E HN 0.782 nan 8.360 nan 0.000 0.467 243 N N -0.387 118.218 118.700 -0.159 0.000 2.453 243 N HA -0.064 4.677 4.740 0.003 0.000 0.183 243 N C 0.867 176.392 175.510 0.025 0.000 1.041 243 N CA 0.241 53.273 53.050 -0.030 0.000 0.900 243 N CB 0.065 38.563 38.487 0.018 0.000 0.961 243 N HN 0.151 nan 8.380 nan 0.000 0.443 244 L N 0.527 121.721 121.223 -0.049 0.000 2.592 244 L HA 0.103 4.445 4.340 0.003 0.000 0.227 244 L C 0.387 177.358 176.870 0.168 0.000 1.127 244 L CA 0.175 55.062 54.840 0.077 0.000 0.884 244 L CB 0.441 42.464 42.059 -0.060 0.000 1.065 244 L HN 0.045 nan 8.230 nan 0.000 0.457 245 V N -2.685 117.280 119.914 0.084 0.000 2.572 245 V HA 0.384 4.505 4.120 0.003 0.000 0.274 245 V C -2.670 173.508 176.094 0.141 0.000 1.075 245 V CA -1.626 60.759 62.300 0.142 0.000 1.237 245 V CB -0.064 31.803 31.823 0.073 0.000 1.517 245 V HN -0.066 nan 8.190 nan 0.000 0.616 246 P HA 0.230 nan 4.420 nan 0.000 0.280 246 P C 0.997 178.434 177.300 0.227 0.000 1.244 246 P CA 0.375 63.572 63.100 0.160 0.000 0.784 246 P CB 1.744 33.558 31.700 0.190 0.000 0.913 247 T N -1.757 112.859 114.554 0.103 0.000 3.081 247 T HA 0.189 4.541 4.350 0.003 0.000 0.255 247 T C 1.419 176.029 174.700 -0.150 0.000 1.113 247 T CA 0.709 62.860 62.100 0.085 0.000 1.082 247 T CB -0.940 67.960 68.868 0.053 0.000 0.939 247 T HN 0.647 nan 8.240 nan 0.000 0.506 248 G N 1.088 109.705 108.800 -0.305 0.000 2.168 248 G HA2 -0.261 3.701 3.960 0.003 0.000 0.263 248 G HA3 -0.261 3.701 3.960 0.003 0.000 0.263 248 G C -0.167 174.263 174.900 -0.782 0.000 0.977 248 G CA 0.158 44.864 45.100 -0.657 0.000 0.659 248 G HN 0.684 nan 8.290 nan 0.000 0.533 249 F N 1.199 120.735 119.950 -0.691 0.000 2.405 249 F HA 0.732 5.261 4.527 0.003 0.000 0.355 249 F C -0.052 175.455 175.800 -0.489 0.000 1.121 249 F CA -1.419 56.406 58.000 -0.292 0.000 1.112 249 F CB 0.425 39.415 39.000 -0.017 0.000 1.126 249 F HN -0.020 nan 8.300 nan 0.000 0.481 250 F N 5.825 125.564 119.950 -0.351 0.000 2.598 250 F HA 0.719 5.247 4.527 0.003 0.000 0.327 250 F C -0.775 174.952 175.800 -0.121 0.000 1.057 250 F CA -1.018 56.858 58.000 -0.205 0.000 0.957 250 F CB 1.752 40.714 39.000 -0.063 0.000 1.278 250 F HN 0.380 nan 8.300 nan 0.000 0.484 251 F N -0.827 119.298 119.950 0.292 0.000 2.711 251 F HA 0.720 5.248 4.527 0.003 0.000 0.313 251 F C -1.558 174.331 175.800 0.149 0.000 1.141 251 F CA -1.330 56.766 58.000 0.161 0.000 0.941 251 F CB 1.923 41.032 39.000 0.181 0.000 1.349 251 F HN 0.377 nan 8.300 nan 0.000 0.464 252 K N 1.558 122.079 120.400 0.202 0.000 2.513 252 K HA 0.623 4.945 4.320 0.003 0.000 0.251 252 K C -2.157 174.478 176.600 0.059 0.000 0.939 252 K CA -0.609 55.563 56.287 -0.192 0.000 0.793 252 K CB 2.276 34.430 32.500 -0.578 0.000 1.241 252 K HN 0.764 nan 8.250 nan 0.000 0.431 253 F N 0.054 119.952 119.950 -0.087 0.000 2.603 253 F HA 0.521 5.050 4.527 0.003 0.000 0.317 253 F C -0.787 174.902 175.800 -0.185 0.000 1.066 253 F CA -1.090 56.897 58.000 -0.022 0.000 0.941 253 F CB 1.342 40.476 39.000 0.223 0.000 1.291 253 F HN 0.270 nan 8.300 nan 0.000 0.472 254 D N 3.293 123.678 120.400 -0.024 0.000 2.280 254 D HA 0.308 4.950 4.640 0.003 0.000 0.236 254 D C -0.320 175.779 176.300 -0.335 0.000 1.082 254 D CA -0.455 53.431 54.000 -0.190 0.000 0.834 254 D CB 1.629 42.383 40.800 -0.077 0.000 1.100 254 D HN 0.846 nan 8.370 nan 0.000 0.486 255 M N 1.221 120.439 119.600 -0.637 0.000 2.785 255 M HA 0.276 4.758 4.480 0.003 0.000 0.374 255 M C -0.414 175.332 176.300 -0.924 0.000 1.221 255 M CA -0.684 53.713 55.300 -1.505 0.000 0.912 255 M CB 0.525 32.169 32.600 -1.594 0.000 1.355 255 M HN -0.125 nan 8.290 nan 0.000 0.513 256 T N 2.255 116.617 114.554 -0.320 0.000 2.888 256 T HA 0.540 4.892 4.350 0.003 0.000 0.301 256 T C 0.829 175.696 174.700 0.279 0.000 1.001 256 T CA 1.031 63.140 62.100 0.015 0.000 1.147 256 T CB 0.742 69.644 68.868 0.057 0.000 0.931 256 T HN 0.852 nan 8.240 nan 0.000 0.541 257 G N 2.651 111.651 108.800 0.334 0.000 2.795 257 G HA2 -0.220 3.742 3.960 0.003 0.000 0.664 257 G HA3 -0.220 3.742 3.960 0.003 0.000 0.664 257 G C 0.294 175.378 174.900 0.306 0.000 1.381 257 G CA -0.564 44.712 45.100 0.293 0.000 0.853 257 G HN 0.708 nan 8.290 nan 0.000 0.545 258 R N -0.265 120.172 120.500 -0.105 0.000 2.317 258 R HA 0.112 4.454 4.340 0.003 0.000 0.208 258 R C 0.269 176.648 176.300 0.132 0.000 0.914 258 R CA 0.398 56.302 56.100 -0.326 0.000 1.060 258 R CB 0.277 30.080 30.300 -0.829 0.000 1.015 258 R HN 0.455 nan 8.270 nan 0.000 0.498 259 D N 1.158 121.661 120.400 0.171 0.000 2.456 259 D HA 0.004 4.646 4.640 0.003 0.000 0.219 259 D C 1.385 177.590 176.300 -0.158 0.000 1.126 259 D CA -0.356 53.715 54.000 0.118 0.000 0.890 259 D CB 1.461 42.346 40.800 0.141 0.000 1.025 259 D HN -0.059 nan 8.370 nan 0.000 0.511 260 V N 2.220 121.889 119.914 -0.409 0.000 2.867 260 V HA -0.170 3.952 4.120 0.003 0.000 0.260 260 V C 1.813 177.721 176.094 -0.311 0.000 1.099 260 V CA 1.878 63.630 62.300 -0.913 0.000 1.122 260 V CB -1.083 30.266 31.823 -0.791 0.000 0.708 260 V HN 0.510 nan 8.190 nan 0.000 0.490 261 S N -0.575 115.068 115.700 -0.094 0.000 2.515 261 S HA -0.103 4.368 4.470 0.003 0.000 0.231 261 S C 1.774 176.441 174.600 0.112 0.000 0.987 261 S CA 0.886 59.105 58.200 0.033 0.000 0.936 261 S CB -0.367 62.849 63.200 0.027 0.000 0.766 261 S HN 0.651 nan 8.310 nan 0.000 0.528 262 Q N -0.355 119.525 119.800 0.134 0.000 2.356 262 Q HA 0.223 4.565 4.340 0.003 0.000 0.205 262 Q C -0.398 175.826 176.000 0.375 0.000 0.901 262 Q CA -0.023 55.914 55.803 0.223 0.000 0.938 262 Q CB -0.145 28.717 28.738 0.207 0.000 1.081 262 Q HN 0.620 nan 8.270 nan 0.000 0.517 263 W N 3.153 124.516 121.300 0.106 0.000 2.158 263 W HA 0.200 4.862 4.660 0.003 0.000 0.339 263 W C 0.790 177.435 176.519 0.209 0.000 1.294 263 W CA -0.390 56.962 57.345 0.012 0.000 1.231 263 W CB 0.172 29.446 29.460 -0.309 0.000 1.143 263 W HN -0.085 nan 8.180 nan 0.000 0.571 264 K N 1.516 122.166 120.400 0.417 0.000 2.542 264 K HA 0.600 4.922 4.320 0.003 0.000 0.259 264 K C -1.129 175.768 176.600 0.496 0.000 0.932 264 K CA -1.155 55.421 56.287 0.480 0.000 0.820 264 K CB 1.547 34.212 32.500 0.276 0.000 1.345 264 K HN 0.219 nan 8.250 nan 0.000 0.432 265 M N 3.354 123.223 119.600 0.449 0.000 2.219 265 M HA 0.189 4.671 4.480 0.003 0.000 0.353 265 M C -0.358 176.017 176.300 0.126 0.000 1.304 265 M CA -0.261 55.204 55.300 0.275 0.000 1.115 265 M CB 0.406 33.034 32.600 0.047 0.000 1.664 265 M HN 0.872 nan 8.290 nan 0.000 0.459 266 L N 1.990 123.252 121.223 0.064 0.000 2.388 266 L HA 0.318 4.660 4.340 0.003 0.000 0.209 266 L C 0.093 176.953 176.870 -0.016 0.000 1.061 266 L CA 0.382 55.230 54.840 0.014 0.000 0.834 266 L CB 0.037 42.077 42.059 -0.032 0.000 1.029 266 L HN 0.638 nan 8.230 nan 0.000 0.473 267 E N -1.552 118.599 120.200 -0.081 0.000 2.366 267 E HA 0.397 4.749 4.350 0.003 0.000 0.278 267 E C -1.786 174.715 176.600 -0.164 0.000 0.923 267 E CA -0.626 55.752 56.400 -0.035 0.000 0.761 267 E CB 2.198 31.924 29.700 0.043 0.000 1.231 267 E HN -0.101 nan 8.360 nan 0.000 0.443 268 Y N 1.028 121.494 120.300 0.278 0.000 2.377 268 Y HA 0.533 5.084 4.550 0.003 0.000 0.339 268 Y C -0.071 175.999 175.900 0.283 0.000 1.011 268 Y CA -0.768 57.480 58.100 0.245 0.000 1.093 268 Y CB 1.312 39.932 38.460 0.268 0.000 1.201 268 Y HN 0.276 nan 8.280 nan 0.000 0.455 269 I N 3.979 124.732 120.570 0.305 0.000 2.447 269 I HA 0.313 4.485 4.170 0.003 0.000 0.287 269 I C -1.475 174.870 176.117 0.379 0.000 1.023 269 I CA -0.873 60.633 61.300 0.344 0.000 1.083 269 I CB 1.710 39.878 38.000 0.281 0.000 1.245 269 I HN 0.536 nan 8.210 nan 0.000 0.434 270 Y N 6.474 126.962 120.300 0.313 0.000 2.442 270 Y HA 0.292 4.844 4.550 0.003 0.000 0.330 270 Y C 0.340 176.384 175.900 0.241 0.000 1.100 270 Y CA -0.959 57.302 58.100 0.268 0.000 1.034 270 Y CB 1.262 39.908 38.460 0.311 0.000 1.285 270 Y HN 0.680 nan 8.280 nan 0.000 0.440 271 N N 4.355 122.754 118.700 -0.502 0.000 2.721 271 N HA -0.278 4.464 4.740 0.003 0.000 0.249 271 N C -0.394 175.066 175.510 -0.084 0.000 1.072 271 N CA 1.615 54.460 53.050 -0.342 0.000 0.710 271 N CB -1.127 37.139 38.487 -0.369 0.000 0.993 271 N HN 0.861 nan 8.380 nan 0.000 0.547 272 N N -2.550 116.139 118.700 -0.019 0.000 2.800 272 N HA -0.220 4.522 4.740 0.003 0.000 0.250 272 N C -1.040 174.473 175.510 0.004 0.000 1.078 272 N CA 1.539 54.581 53.050 -0.014 0.000 0.804 272 N CB -0.770 37.688 38.487 -0.048 0.000 1.135 272 N HN 0.681 nan 8.380 nan 0.000 0.565 273 K N 0.487 120.923 120.400 0.061 0.000 2.203 273 K HA 0.617 4.939 4.320 0.003 0.000 0.251 273 K C -0.099 176.464 176.600 -0.061 0.000 0.944 273 K CA -0.658 55.614 56.287 -0.024 0.000 0.829 273 K CB 2.442 34.941 32.500 -0.002 0.000 1.125 273 K HN -0.196 nan 8.250 nan 0.000 0.430 274 V N 3.214 122.989 119.914 -0.233 0.000 2.435 274 V HA 0.335 4.457 4.120 0.003 0.000 0.290 274 V C -1.131 174.742 176.094 -0.369 0.000 1.030 274 V CA -0.786 61.433 62.300 -0.135 0.000 0.881 274 V CB 0.407 32.207 31.823 -0.039 0.000 0.983 274 V HN 0.578 nan 8.190 nan 0.000 0.445 275 Y N 1.559 121.979 120.300 0.200 0.000 2.409 275 Y HA 0.409 4.960 4.550 0.003 0.000 0.343 275 Y C 1.327 177.346 175.900 0.198 0.000 0.973 275 Y CA -0.823 57.406 58.100 0.214 0.000 1.064 275 Y CB 2.116 40.744 38.460 0.279 0.000 1.207 275 Y HN 0.700 nan 8.280 nan 0.000 0.452 276 T N -2.678 112.040 114.554 0.273 0.000 3.107 276 T HA 0.229 4.581 4.350 0.003 0.000 0.249 276 T C 0.250 175.079 174.700 0.216 0.000 1.096 276 T CA 0.382 62.596 62.100 0.190 0.000 1.012 276 T CB -0.272 68.670 68.868 0.124 0.000 0.977 276 T HN 0.534 nan 8.240 nan 0.000 0.527 277 S N -1.056 114.831 115.700 0.313 0.000 2.565 277 S HA 0.743 5.215 4.470 0.003 0.000 0.269 277 S C 1.043 175.869 174.600 0.377 0.000 1.153 277 S CA -0.470 57.917 58.200 0.312 0.000 0.835 277 S CB 1.142 64.461 63.200 0.198 0.000 1.122 277 S HN 0.170 nan 8.310 nan 0.000 0.462 278 A N 0.954 123.970 122.820 0.326 0.000 1.908 278 A HA -0.062 4.260 4.320 0.003 0.000 0.218 278 A C 1.954 179.573 177.584 0.057 0.000 1.181 278 A CA 2.287 54.379 52.037 0.091 0.000 0.627 278 A CB -1.298 17.700 19.000 -0.003 0.000 0.818 278 A HN 1.007 nan 8.150 nan 0.000 0.445 279 E N 0.129 120.379 120.200 0.084 0.000 2.077 279 E HA -0.220 4.131 4.350 0.003 0.000 0.193 279 E C 1.961 178.643 176.600 0.137 0.000 0.989 279 E CA 1.751 58.204 56.400 0.089 0.000 0.800 279 E CB -0.281 29.460 29.700 0.068 0.000 0.746 279 E HN 0.710 nan 8.360 nan 0.000 0.452 280 E N -0.619 119.677 120.200 0.160 0.000 2.077 280 E HA -0.195 4.156 4.350 0.003 0.000 0.193 280 E C 2.003 178.688 176.600 0.142 0.000 0.989 280 E CA 1.146 57.666 56.400 0.200 0.000 0.800 280 E CB -0.157 29.718 29.700 0.291 0.000 0.746 280 E HN 0.309 nan 8.360 nan 0.000 0.452 281 L N 0.387 121.616 121.223 0.009 0.000 2.027 281 L HA -0.154 4.188 4.340 0.003 0.000 0.206 281 L C 2.186 178.864 176.870 -0.320 0.000 1.074 281 L CA 1.846 56.435 54.840 -0.419 0.000 0.745 281 L CB -1.085 40.689 42.059 -0.476 0.000 0.898 281 L HN 0.254 nan 8.230 nan 0.000 0.433 282 Y N 0.786 120.929 120.300 -0.261 0.000 2.114 282 Y HA -0.319 4.233 4.550 0.003 0.000 0.282 282 Y C 2.404 178.177 175.900 -0.213 0.000 1.165 282 Y CA 2.427 60.377 58.100 -0.249 0.000 1.148 282 Y CB -0.138 38.215 38.460 -0.179 0.000 0.972 282 Y HN 0.401 nan 8.280 nan 0.000 0.504 283 E N -0.031 120.115 120.200 -0.090 0.000 2.051 283 E HA -0.236 4.116 4.350 0.003 0.000 0.192 283 E C 2.384 178.878 176.600 -0.178 0.000 0.991 283 E CA 0.990 57.323 56.400 -0.112 0.000 0.799 283 E CB -0.400 29.328 29.700 0.047 0.000 0.748 283 E HN 0.602 nan 8.360 nan 0.000 0.449 284 A N 1.052 123.797 122.820 -0.125 0.000 1.972 284 A HA -0.173 4.149 4.320 0.003 0.000 0.219 284 A C 2.110 179.507 177.584 -0.312 0.000 1.169 284 A CA 1.329 53.342 52.037 -0.040 0.000 0.635 284 A CB -0.459 18.671 19.000 0.216 0.000 0.810 284 A HN 0.158 nan 8.150 nan 0.000 0.446 285 M N -0.622 118.528 119.600 -0.750 0.000 2.460 285 M HA -0.115 4.367 4.480 0.003 0.000 0.263 285 M C 1.680 177.635 176.300 -0.576 0.000 1.071 285 M CA 0.775 55.392 55.300 -1.139 0.000 1.096 285 M CB -0.063 31.893 32.600 -1.074 0.000 1.408 285 M HN 0.336 nan 8.290 nan 0.000 0.463 286 Q N 0.310 119.844 119.800 -0.443 0.000 2.389 286 Q HA 0.098 4.440 4.340 0.003 0.000 0.204 286 Q C 0.261 176.184 176.000 -0.129 0.000 0.944 286 Q CA 0.656 56.284 55.803 -0.293 0.000 0.908 286 Q CB -0.060 28.490 28.738 -0.313 0.000 1.002 286 Q HN 0.273 nan 8.270 nan 0.000 0.493 287 K N 1.627 121.985 120.400 -0.070 0.000 2.237 287 K HA 0.040 4.362 4.320 0.003 0.000 0.270 287 K C 0.666 177.307 176.600 0.068 0.000 1.015 287 K CA -0.122 56.179 56.287 0.023 0.000 0.949 287 K CB 0.567 33.111 32.500 0.073 0.000 0.976 287 K HN -0.063 nan 8.250 nan 0.000 0.472 288 D N 1.238 121.672 120.400 0.057 0.000 2.264 288 D HA -0.142 4.500 4.640 0.003 0.000 0.208 288 D C 0.813 177.166 176.300 0.089 0.000 0.966 288 D CA 1.133 55.171 54.000 0.063 0.000 0.864 288 D CB 0.240 41.065 40.800 0.042 0.000 0.933 288 D HN 0.560 nan 8.370 nan 0.000 0.499 289 D N -0.569 119.895 120.400 0.106 0.000 2.339 289 D HA -0.109 4.532 4.640 0.003 0.000 0.217 289 D C 0.430 176.805 176.300 0.125 0.000 1.050 289 D CA -0.496 53.561 54.000 0.096 0.000 0.856 289 D CB -0.870 39.977 40.800 0.078 0.000 0.922 289 D HN 0.028 nan 8.370 nan 0.000 0.518 290 F N 1.663 121.638 119.950 0.040 0.000 2.543 290 F HA 0.208 4.737 4.527 0.003 0.000 0.375 290 F C -0.085 175.761 175.800 0.077 0.000 1.075 290 F CA -0.456 57.581 58.000 0.061 0.000 1.225 290 F CB 0.831 39.847 39.000 0.027 0.000 1.099 290 F HN -0.296 nan 8.300 nan 0.000 0.561 291 V N 6.110 125.666 119.914 -0.597 0.000 2.383 291 V HA 0.224 4.346 4.120 0.003 0.000 0.275 291 V C 0.055 175.964 176.094 -0.308 0.000 1.036 291 V CA -0.423 61.689 62.300 -0.314 0.000 0.889 291 V CB 1.237 32.932 31.823 -0.212 0.000 0.985 291 V HN 0.801 nan 8.190 nan 0.000 0.459 292 T N 7.029 121.627 114.554 0.073 0.000 2.749 292 T HA 0.548 4.899 4.350 0.003 0.000 0.287 292 T C 0.016 174.846 174.700 0.216 0.000 0.970 292 T CA -0.304 61.964 62.100 0.280 0.000 0.980 292 T CB 0.746 69.788 68.868 0.290 0.000 0.924 292 T HN 0.331 nan 8.240 nan 0.000 0.456 293 L N 4.370 125.754 121.223 0.268 0.000 2.464 293 L HA 0.310 4.652 4.340 0.003 0.000 0.264 293 L C -1.786 175.236 176.870 0.253 0.000 1.199 293 L CA -2.099 52.858 54.840 0.195 0.000 0.818 293 L CB -0.175 41.947 42.059 0.105 0.000 1.102 293 L HN 0.355 nan 8.230 nan 0.000 0.473 294 P HA 0.010 nan 4.420 nan 0.000 0.263 294 P C -1.051 176.432 177.300 0.305 0.000 1.175 294 P CA 0.333 63.576 63.100 0.238 0.000 0.761 294 P CB 0.331 32.149 31.700 0.197 0.000 0.794 295 K N 2.488 123.023 120.400 0.225 0.000 2.087 295 K HA 0.411 4.733 4.320 0.003 0.000 0.255 295 K C 0.336 177.066 176.600 0.217 0.000 0.988 295 K CA -0.906 55.516 56.287 0.225 0.000 0.915 295 K CB 0.832 33.424 32.500 0.153 0.000 1.043 295 K HN 0.367 nan 8.250 nan 0.000 0.457 296 I N 1.691 122.400 120.570 0.232 0.000 2.618 296 I HA -0.105 4.066 4.170 0.003 0.000 0.284 296 I C 0.489 176.713 176.117 0.178 0.000 1.146 296 I CA 0.154 61.588 61.300 0.223 0.000 1.425 296 I CB 0.237 38.378 38.000 0.235 0.000 1.383 296 I HN 0.504 nan 8.210 nan 0.000 0.562 297 D N 6.553 127.066 120.400 0.188 0.000 2.435 297 D HA 0.054 4.695 4.640 0.003 0.000 0.230 297 D C 0.990 177.397 176.300 0.179 0.000 1.215 297 D CA -0.267 53.830 54.000 0.161 0.000 0.947 297 D CB 0.944 41.837 40.800 0.154 0.000 1.048 297 D HN 0.364 nan 8.370 nan 0.000 0.512 298 V N 0.860 120.850 119.914 0.126 0.000 3.305 298 V HA 0.001 4.123 4.120 0.003 0.000 0.269 298 V C 0.876 177.014 176.094 0.073 0.000 1.157 298 V CA 0.874 63.230 62.300 0.095 0.000 1.157 298 V CB -0.068 31.790 31.823 0.058 0.000 0.772 298 V HN 0.250 nan 8.190 nan 0.000 0.498 299 D N 0.859 121.309 120.400 0.083 0.000 2.350 299 D HA 0.097 4.739 4.640 0.003 0.000 0.213 299 D C 0.151 176.501 176.300 0.082 0.000 1.031 299 D CA 0.378 54.416 54.000 0.064 0.000 0.861 299 D CB 0.067 40.899 40.800 0.053 0.000 0.926 299 D HN 0.545 nan 8.370 nan 0.000 0.520 300 N N 0.956 119.737 118.700 0.136 0.000 2.727 300 N HA 0.200 4.941 4.740 0.003 0.000 0.252 300 N C 0.108 175.791 175.510 0.289 0.000 1.283 300 N CA -0.038 53.122 53.050 0.182 0.000 0.782 300 N CB 1.539 40.142 38.487 0.192 0.000 1.199 300 N HN 0.022 nan 8.380 nan 0.000 0.520 301 L N 0.034 121.315 121.223 0.098 0.000 2.910 301 L HA 0.224 4.566 4.340 0.003 0.000 0.252 301 L C 0.812 177.497 176.870 -0.309 0.000 1.195 301 L CA -0.122 54.607 54.840 -0.186 0.000 1.003 301 L CB 0.370 42.288 42.059 -0.235 0.000 1.328 301 L HN 0.023 nan 8.230 nan 0.000 0.540 302 D N 1.047 121.428 120.400 -0.030 0.000 2.221 302 D HA -0.207 4.435 4.640 0.003 0.000 0.204 302 D C 1.944 178.235 176.300 -0.014 0.000 0.982 302 D CA 1.043 55.033 54.000 -0.017 0.000 0.857 302 D CB -0.016 40.825 40.800 0.069 0.000 0.934 302 D HN 0.552 nan 8.370 nan 0.000 0.475 303 W N 1.624 122.917 121.300 -0.012 0.000 2.632 303 W HA -0.046 4.616 4.660 0.003 0.000 0.248 303 W C 0.913 177.406 176.519 -0.043 0.000 1.259 303 W CA 1.375 58.702 57.345 -0.031 0.000 1.288 303 W CB -1.512 27.912 29.460 -0.059 0.000 1.136 303 W HN 0.001 nan 8.180 nan 0.000 0.640 304 T N -1.517 112.637 114.554 -0.667 0.000 3.086 304 T HA 0.244 4.596 4.350 0.003 0.000 0.250 304 T C 0.445 175.060 174.700 -0.141 0.000 1.074 304 T CA -0.106 61.682 62.100 -0.520 0.000 0.988 304 T CB -0.367 68.019 68.868 -0.804 0.000 0.988 304 T HN -0.136 nan 8.240 nan 0.000 0.530 305 V N 2.259 122.102 119.914 -0.118 0.000 2.461 305 V HA 0.354 4.475 4.120 0.003 0.000 0.275 305 V C 1.370 177.443 176.094 -0.036 0.000 1.047 305 V CA -0.510 61.757 62.300 -0.055 0.000 0.955 305 V CB 0.934 32.720 31.823 -0.061 0.000 0.988 305 V HN 0.369 nan 8.190 nan 0.000 0.471 306 I N 2.651 123.195 120.570 -0.044 0.000 2.339 306 I HA -0.046 4.126 4.170 0.003 0.000 0.245 306 I C 1.645 177.719 176.117 -0.073 0.000 1.096 306 I CA 0.538 61.784 61.300 -0.089 0.000 1.408 306 I CB -0.089 37.823 38.000 -0.145 0.000 1.092 306 I HN 0.772 nan 8.210 nan 0.000 0.423 307 Q N 2.901 122.662 119.800 -0.064 0.000 2.471 307 Q HA 0.065 4.407 4.340 0.003 0.000 0.223 307 Q C 0.151 176.124 176.000 -0.044 0.000 1.045 307 Q CA -0.438 55.328 55.803 -0.062 0.000 0.956 307 Q CB 0.553 29.250 28.738 -0.069 0.000 1.249 307 Q HN 0.234 nan 8.270 nan 0.000 0.549 308 R N 1.373 121.849 120.500 -0.040 0.000 2.583 308 R HA -0.078 4.264 4.340 0.003 0.000 0.274 308 R C -0.033 176.255 176.300 -0.020 0.000 0.998 308 R CA 0.029 56.114 56.100 -0.025 0.000 1.081 308 R CB 0.291 30.577 30.300 -0.023 0.000 0.940 308 R HN 0.633 nan 8.270 nan 0.000 0.413 309 N N 3.021 121.715 118.700 -0.010 0.000 2.411 309 N HA -0.036 4.706 4.740 0.003 0.000 0.259 309 N C -0.385 175.122 175.510 -0.004 0.000 1.103 309 N CA -0.100 52.947 53.050 -0.005 0.000 0.954 309 N CB 1.038 39.529 38.487 0.006 0.000 1.085 309 N HN 0.521 nan 8.380 nan 0.000 0.485 310 D N 1.159 121.554 120.400 -0.008 0.000 2.311 310 D HA -0.131 4.510 4.640 0.003 0.000 0.212 310 D C 1.198 177.497 176.300 -0.002 0.000 0.972 310 D CA 1.167 55.163 54.000 -0.008 0.000 0.887 310 D CB 0.108 40.901 40.800 -0.011 0.000 0.915 310 D HN 0.612 nan 8.370 nan 0.000 0.497 311 S N -0.944 114.757 115.700 0.001 0.000 2.556 311 S HA 0.389 4.861 4.470 0.003 0.000 0.216 311 S C 0.928 175.532 174.600 0.006 0.000 0.970 311 S CA -0.409 57.794 58.200 0.004 0.000 0.912 311 S CB 0.333 63.536 63.200 0.006 0.000 0.790 311 S HN 0.210 nan 8.310 nan 0.000 0.504 312 A N 3.255 126.079 122.820 0.007 0.000 2.440 312 A HA 0.600 4.922 4.320 0.003 0.000 0.251 312 A C -2.194 175.395 177.584 0.010 0.000 1.089 312 A CA -1.286 50.757 52.037 0.009 0.000 0.779 312 A CB -0.423 18.582 19.000 0.009 0.000 1.022 312 A HN 0.268 nan 8.150 nan 0.000 0.492 313 P HA 0.276 nan 4.420 nan 0.000 0.270 313 P C -0.499 176.812 177.300 0.018 0.000 1.223 313 P CA -0.073 63.035 63.100 0.014 0.000 0.785 313 P CB 0.346 32.055 31.700 0.015 0.000 0.923 314 I N 1.483 122.066 120.570 0.023 0.000 2.472 314 I HA 0.199 4.371 4.170 0.003 0.000 0.290 314 I C 1.303 177.444 176.117 0.040 0.000 1.016 314 I CA -0.541 60.775 61.300 0.026 0.000 1.348 314 I CB 0.506 38.521 38.000 0.025 0.000 1.417 314 I HN 0.172 nan 8.210 nan 0.000 0.521 315 R N 3.476 124.000 120.500 0.040 0.000 2.641 315 R HA 0.108 4.449 4.340 0.003 0.000 0.269 315 R C 0.336 176.693 176.300 0.096 0.000 1.074 315 R CA -0.563 55.574 56.100 0.061 0.000 1.133 315 R CB 0.233 30.561 30.300 0.046 0.000 1.029 315 R HN 0.609 nan 8.270 nan 0.000 0.488 316 H N 3.303 122.375 119.070 0.004 0.000 3.125 316 H HA -0.105 4.453 4.556 0.003 0.000 0.310 316 H C 0.737 176.067 175.328 0.004 0.000 0.980 316 H CA 0.717 56.767 56.048 0.004 0.000 1.422 316 H CB 0.316 30.079 29.762 0.003 0.000 1.432 316 H HN 0.576 nan 8.280 nan 0.000 0.577 317 L N 3.369 124.435 121.223 -0.263 0.000 5.081 317 L HA -0.293 4.049 4.340 0.003 0.000 0.423 317 L C 1.117 177.925 176.870 -0.104 0.000 1.019 317 L CA 0.886 55.571 54.840 -0.258 0.000 1.223 317 L CB -1.256 40.575 42.059 -0.379 0.000 1.940 317 L HN 0.590 nan 8.230 nan 0.000 0.675 318 D N 1.261 121.632 120.400 -0.047 0.000 2.363 318 D HA -0.057 4.585 4.640 0.003 0.000 0.226 318 D C 1.372 177.664 176.300 -0.012 0.000 1.020 318 D CA 1.225 55.214 54.000 -0.019 0.000 0.892 318 D CB 0.081 40.882 40.800 0.002 0.000 0.900 318 D HN 0.675 nan 8.370 nan 0.000 0.531 319 D N -0.892 119.499 120.400 -0.016 0.000 2.324 319 D HA -0.032 4.610 4.640 0.003 0.000 0.235 319 D C 0.187 176.478 176.300 -0.015 0.000 1.095 319 D CA -0.015 53.980 54.000 -0.008 0.000 0.871 319 D CB -0.232 40.568 40.800 -0.000 0.000 0.906 319 D HN 0.061 nan 8.370 nan 0.000 0.522 320 R N 0.354 120.838 120.500 -0.026 0.000 2.589 320 R HA 0.382 4.724 4.340 0.003 0.000 0.293 320 R C -0.052 176.237 176.300 -0.018 0.000 0.963 320 R CA -0.832 55.253 56.100 -0.025 0.000 0.905 320 R CB 1.826 32.102 30.300 -0.040 0.000 1.144 320 R HN -0.091 nan 8.270 nan 0.000 0.459 321 K N 1.351 121.743 120.400 -0.013 0.000 2.448 321 K HA 0.015 4.337 4.320 0.003 0.000 0.278 321 K C 0.398 176.986 176.600 -0.019 0.000 1.009 321 K CA 0.063 56.343 56.287 -0.011 0.000 0.995 321 K CB 0.551 33.045 32.500 -0.010 0.000 0.917 321 K HN 0.637 nan 8.250 nan 0.000 0.481 322 S N 2.851 118.537 115.700 -0.023 0.000 2.589 322 S HA 0.224 4.696 4.470 0.003 0.000 0.265 322 S C -2.093 172.487 174.600 -0.034 0.000 1.342 322 S CA -1.349 56.835 58.200 -0.028 0.000 1.005 322 S CB -0.011 63.172 63.200 -0.027 0.000 0.909 322 S HN 0.333 nan 8.310 nan 0.000 0.555 323 P HA 0.330 nan 4.420 nan 0.000 0.270 323 P C -0.501 176.772 177.300 -0.045 0.000 1.223 323 P CA -0.315 62.768 63.100 -0.029 0.000 0.785 323 P CB 0.365 32.055 31.700 -0.017 0.000 0.923 324 R N 1.086 121.562 120.500 -0.040 0.000 2.686 324 R HA 0.468 4.810 4.340 0.003 0.000 0.283 324 R C -0.918 175.359 176.300 -0.039 0.000 0.978 324 R CA -1.132 54.935 56.100 -0.054 0.000 0.897 324 R CB 1.579 31.849 30.300 -0.051 0.000 1.192 324 R HN 0.363 nan 8.270 nan 0.000 0.457 325 L N 3.117 124.311 121.223 -0.048 0.000 2.349 325 L HA 0.366 4.708 4.340 0.003 0.000 0.275 325 L C -0.282 176.575 176.870 -0.022 0.000 1.115 325 L CA -0.132 54.693 54.840 -0.025 0.000 0.820 325 L CB 1.331 43.376 42.059 -0.025 0.000 1.135 325 L HN 0.466 nan 8.230 nan 0.000 0.445 326 V N 1.116 121.023 119.914 -0.011 0.000 3.102 326 V HA 0.646 4.768 4.120 0.003 0.000 0.312 326 V C -0.661 175.429 176.094 -0.007 0.000 1.135 326 V CA -0.821 61.471 62.300 -0.013 0.000 1.022 326 V CB 2.042 33.851 31.823 -0.023 0.000 1.056 326 V HN 0.752 nan 8.190 nan 0.000 0.436 327 E N 2.564 122.760 120.200 -0.007 0.000 2.256 327 E HA 0.402 4.754 4.350 0.003 0.000 0.243 327 E C -2.099 174.483 176.600 -0.031 0.000 0.925 327 E CA -1.635 54.762 56.400 -0.005 0.000 0.748 327 E CB 1.878 31.587 29.700 0.015 0.000 1.206 327 E HN 0.669 nan 8.360 nan 0.000 0.428 328 P HA -0.148 nan 4.420 nan 0.000 0.218 328 P C 0.146 177.408 177.300 -0.064 0.000 1.149 328 P CA 1.143 64.200 63.100 -0.072 0.000 0.817 328 P CB 0.332 31.960 31.700 -0.120 0.000 0.785 329 E N -0.897 119.268 120.200 -0.058 0.000 2.789 329 E HA 0.392 4.744 4.350 0.003 0.000 0.208 329 E C 0.506 177.085 176.600 -0.034 0.000 0.988 329 E CA -0.185 56.187 56.400 -0.047 0.000 1.092 329 E CB 0.363 30.032 29.700 -0.052 0.000 1.066 329 E HN 0.107 nan 8.360 nan 0.000 0.465 330 G N 2.112 110.893 108.800 -0.031 0.000 2.728 330 G HA2 -0.284 3.678 3.960 0.003 0.000 0.294 330 G HA3 -0.284 3.678 3.960 0.003 0.000 0.294 330 G C -0.521 174.361 174.900 -0.030 0.000 1.342 330 G CA -0.661 44.418 45.100 -0.035 0.000 0.866 330 G HN 0.269 nan 8.290 nan 0.000 0.534 331 R N 0.293 120.748 120.500 -0.075 0.000 2.491 331 R HA 0.407 4.749 4.340 0.003 0.000 0.283 331 R C 1.193 177.440 176.300 -0.090 0.000 1.072 331 R CA -0.003 56.017 56.100 -0.133 0.000 1.048 331 R CB 0.169 30.259 30.300 -0.351 0.000 0.983 331 R HN 0.587 nan 8.270 nan 0.000 0.450 332 R N 4.227 124.754 120.500 0.046 0.000 2.509 332 R HA 0.150 4.492 4.340 0.003 0.000 0.300 332 R C -0.648 175.889 176.300 0.396 0.000 0.985 332 R CA -0.234 55.982 56.100 0.193 0.000 1.092 332 R CB 0.485 30.949 30.300 0.274 0.000 1.237 332 R HN 0.580 nan 8.270 nan 0.000 0.546 333 W N 0.091 121.577 121.300 0.309 0.000 2.706 333 W HA 0.816 5.478 4.660 0.003 0.000 0.346 333 W C -1.145 175.532 176.519 0.264 0.000 1.071 333 W CA -1.476 56.072 57.345 0.339 0.000 1.206 333 W CB 0.757 30.393 29.460 0.293 0.000 1.413 333 W HN -0.227 nan 8.180 nan 0.000 0.542 334 A N 2.536 125.639 122.820 0.472 0.000 2.430 334 A HA 0.970 5.292 4.320 0.003 0.000 0.300 334 A C -1.944 175.899 177.584 0.431 0.000 1.124 334 A CA -0.849 51.360 52.037 0.287 0.000 0.766 334 A CB 2.012 21.083 19.000 0.119 0.000 1.328 334 A HN 1.013 nan 8.150 nan 0.000 0.424 335 Y N -0.977 119.367 120.300 0.073 0.000 2.656 335 Y HA 0.688 5.240 4.550 0.003 0.000 0.334 335 Y C -1.464 174.392 175.900 -0.074 0.000 1.179 335 Y CA -1.219 56.800 58.100 -0.134 0.000 1.050 335 Y CB 1.342 39.664 38.460 -0.229 0.000 1.308 335 Y HN 0.505 nan 8.280 nan 0.000 0.456 336 D N 0.939 121.279 120.400 -0.100 0.000 2.441 336 D HA 0.285 4.927 4.640 0.003 0.000 0.231 336 D C 0.817 177.178 176.300 0.102 0.000 1.073 336 D CA 0.086 54.053 54.000 -0.055 0.000 0.850 336 D CB 1.752 42.586 40.800 0.056 0.000 1.062 336 D HN 0.971 nan 8.370 nan 0.000 0.524 337 G N 3.300 112.185 108.800 0.142 0.000 2.422 337 G HA2 -0.218 3.744 3.960 0.003 0.000 0.218 337 G HA3 -0.218 3.744 3.960 0.003 0.000 0.218 337 G C 1.190 176.248 174.900 0.263 0.000 1.140 337 G CA 0.374 45.714 45.100 0.400 0.000 0.775 337 G HN 0.443 nan 8.290 nan 0.000 0.545 338 E N 0.604 120.904 120.200 0.167 0.000 2.152 338 E HA -0.028 4.324 4.350 0.003 0.000 0.192 338 E C 1.918 178.626 176.600 0.180 0.000 0.983 338 E CA 0.687 57.178 56.400 0.152 0.000 0.818 338 E CB 0.075 29.837 29.700 0.103 0.000 0.758 338 E HN 0.402 nan 8.360 nan 0.000 0.467 339 E N 0.153 120.473 120.200 0.199 0.000 2.526 339 E HA 0.059 4.411 4.350 0.003 0.000 0.208 339 E C -0.426 176.381 176.600 0.345 0.000 0.997 339 E CA -0.140 56.425 56.400 0.275 0.000 0.961 339 E CB 0.418 30.303 29.700 0.308 0.000 1.030 339 E HN 0.244 nan 8.360 nan 0.000 0.483 340 E N 0.563 120.908 120.200 0.241 0.000 2.228 340 E HA -0.263 4.089 4.350 0.003 0.000 0.213 340 E C -0.837 175.852 176.600 0.149 0.000 1.282 340 E CA 0.398 56.908 56.400 0.182 0.000 0.707 340 E CB -1.605 28.318 29.700 0.371 0.000 1.150 340 E HN 0.270 nan 8.360 nan 0.000 0.362 341 Y N 0.283 120.427 120.300 -0.261 0.000 2.377 341 Y HA 0.549 5.101 4.550 0.003 0.000 0.339 341 Y C -0.774 174.725 175.900 -0.668 0.000 1.011 341 Y CA -1.045 56.798 58.100 -0.428 0.000 1.093 341 Y CB 0.839 39.026 38.460 -0.455 0.000 1.201 341 Y HN -0.023 nan 8.280 nan 0.000 0.455 342 F N 3.138 122.360 119.950 -1.213 0.000 2.532 342 F HA 0.588 5.117 4.527 0.003 0.000 0.321 342 F C -0.215 174.946 175.800 -1.065 0.000 1.089 342 F CA -0.768 56.652 58.000 -0.966 0.000 0.926 342 F CB 2.298 40.568 39.000 -1.216 0.000 1.168 342 F HN 0.403 nan 8.300 nan 0.000 0.459 343 S N 2.654 118.212 115.700 -0.237 0.000 2.571 343 S HA 0.646 5.118 4.470 0.003 0.000 0.284 343 S C -2.150 172.610 174.600 0.268 0.000 1.128 343 S CA -0.363 57.804 58.200 -0.054 0.000 0.970 343 S CB 0.781 63.993 63.200 0.021 0.000 1.039 343 S HN 0.660 nan 8.310 nan 0.000 0.485 344 W N 7.175 128.538 121.300 0.105 0.000 3.544 344 W HA 0.429 5.091 4.660 0.003 0.000 0.326 344 W C -0.601 176.098 176.519 0.300 0.000 1.137 344 W CA -0.604 56.861 57.345 0.199 0.000 1.252 344 W CB 0.966 30.513 29.460 0.146 0.000 1.302 344 W HN 0.634 nan 8.180 nan 0.000 0.467 345 M N 6.638 126.010 119.600 -0.381 0.000 2.212 345 M HA -0.298 4.184 4.480 0.003 0.000 0.193 345 M C 0.245 176.469 176.300 -0.126 0.000 0.493 345 M CA 2.007 57.015 55.300 -0.488 0.000 0.427 345 M CB -2.118 29.750 32.600 -1.221 0.000 1.120 345 M HN 0.746 nan 8.290 nan 0.000 0.929 346 D N -3.565 116.797 120.400 -0.063 0.000 2.911 346 D HA -0.207 4.435 4.640 0.003 0.000 0.199 346 D C -0.257 176.028 176.300 -0.025 0.000 1.041 346 D CA 1.611 55.521 54.000 -0.150 0.000 1.013 346 D CB -1.233 39.290 40.800 -0.462 0.000 1.093 346 D HN 0.730 nan 8.370 nan 0.000 0.431 347 W N 0.810 122.232 121.300 0.202 0.000 2.448 347 W HA 0.623 5.285 4.660 0.003 0.000 0.339 347 W C 1.057 177.654 176.519 0.130 0.000 1.124 347 W CA 0.136 57.682 57.345 0.335 0.000 1.262 347 W CB 1.658 31.378 29.460 0.434 0.000 1.251 347 W HN 0.031 nan 8.180 nan 0.000 0.597 348 G N 1.629 110.675 108.800 0.410 0.000 2.612 348 G HA2 0.827 4.789 3.960 0.003 0.000 0.298 348 G HA3 0.827 4.789 3.960 0.003 0.000 0.298 348 G C -1.886 173.111 174.900 0.161 0.000 1.336 348 G CA -0.797 44.324 45.100 0.036 0.000 0.953 348 G HN 0.551 nan 8.290 nan 0.000 0.482 349 F N -1.159 118.671 119.950 -0.200 0.000 2.770 349 F HA 0.676 5.205 4.527 0.003 0.000 0.313 349 F C -2.186 173.601 175.800 -0.023 0.000 1.154 349 F CA -1.983 56.040 58.000 0.037 0.000 0.923 349 F CB 0.975 40.045 39.000 0.116 0.000 1.301 349 F HN 0.461 nan 8.300 nan 0.000 0.449 350 Y N 0.490 121.100 120.300 0.516 0.000 2.446 350 Y HA 0.676 5.228 4.550 0.003 0.000 0.338 350 Y C 0.524 176.644 175.900 0.367 0.000 1.055 350 Y CA -0.594 57.788 58.100 0.470 0.000 1.101 350 Y CB 2.209 40.963 38.460 0.490 0.000 1.221 350 Y HN 0.824 nan 8.280 nan 0.000 0.460 351 T N -1.551 113.259 114.554 0.427 0.000 2.945 351 T HA 0.757 5.109 4.350 0.003 0.000 0.286 351 T C -0.453 174.330 174.700 0.138 0.000 1.025 351 T CA -0.809 61.298 62.100 0.012 0.000 1.039 351 T CB 1.829 70.523 68.868 -0.290 0.000 1.068 351 T HN 0.552 nan 8.240 nan 0.000 0.497 352 S N 0.497 116.194 115.700 -0.004 0.000 2.564 352 S HA 0.642 5.114 4.470 0.003 0.000 0.274 352 S C -2.205 172.432 174.600 0.062 0.000 1.124 352 S CA -0.851 57.431 58.200 0.136 0.000 0.869 352 S CB 1.522 64.865 63.200 0.239 0.000 1.105 352 S HN 0.800 nan 8.310 nan 0.000 0.472 353 W N 3.463 124.717 121.300 -0.077 0.000 2.883 353 W HA 0.607 5.268 4.660 0.003 0.000 0.335 353 W C -1.084 175.367 176.519 -0.114 0.000 1.083 353 W CA -0.535 56.720 57.345 -0.149 0.000 1.233 353 W CB 1.944 31.348 29.460 -0.094 0.000 1.412 353 W HN 0.858 nan 8.180 nan 0.000 0.490 354 S N 4.663 120.029 115.700 -0.557 0.000 2.548 354 S HA 0.342 4.814 4.470 0.003 0.000 0.286 354 S C 0.716 175.041 174.600 -0.458 0.000 1.098 354 S CA -0.764 57.228 58.200 -0.346 0.000 0.930 354 S CB 2.614 65.628 63.200 -0.309 0.000 1.070 354 S HN 0.676 nan 8.310 nan 0.000 0.480 355 R N 1.092 121.446 120.500 -0.244 0.000 2.105 355 R HA -0.143 4.199 4.340 0.003 0.000 0.239 355 R C 0.467 176.576 176.300 -0.319 0.000 1.135 355 R CA 2.212 58.173 56.100 -0.232 0.000 0.967 355 R CB -0.999 29.142 30.300 -0.264 0.000 0.861 355 R HN 0.799 nan 8.270 nan 0.000 0.442 356 D N -0.355 119.812 120.400 -0.389 0.000 2.097 356 D HA -0.105 4.537 4.640 0.003 0.000 0.197 356 D C 1.655 177.779 176.300 -0.294 0.000 0.984 356 D CA 2.406 56.196 54.000 -0.350 0.000 0.826 356 D CB -0.083 40.501 40.800 -0.360 0.000 0.973 356 D HN 0.520 nan 8.370 nan 0.000 0.460 357 T N -3.837 110.485 114.554 -0.388 0.000 3.003 357 T HA 0.496 4.847 4.350 0.003 0.000 0.261 357 T C 1.176 175.522 174.700 -0.590 0.000 1.003 357 T CA 0.552 62.412 62.100 -0.400 0.000 0.917 357 T CB 1.179 69.823 68.868 -0.372 0.000 1.084 357 T HN 0.276 nan 8.240 nan 0.000 0.522 358 G N 1.975 110.167 108.800 -1.014 0.000 2.509 358 G HA2 -0.196 3.766 3.960 0.003 0.000 0.256 358 G HA3 -0.196 3.766 3.960 0.003 0.000 0.256 358 G C -0.339 173.433 174.900 -1.880 0.000 1.152 358 G CA -0.232 43.633 45.100 -2.057 0.000 0.951 358 G HN 0.732 nan 8.290 nan 0.000 0.559 359 I N 1.174 120.785 120.570 -1.599 0.000 2.662 359 I HA 0.563 4.735 4.170 0.003 0.000 0.291 359 I C 0.286 175.990 176.117 -0.688 0.000 1.046 359 I CA -0.118 60.634 61.300 -0.913 0.000 1.361 359 I CB 1.282 38.820 38.000 -0.771 0.000 1.429 359 I HN 0.602 nan 8.210 nan 0.000 0.558 360 S N 4.993 120.287 115.700 -0.678 0.000 2.595 360 S HA 0.643 5.115 4.470 0.003 0.000 0.281 360 S C -1.231 172.877 174.600 -0.819 0.000 1.117 360 S CA -0.404 57.447 58.200 -0.582 0.000 0.873 360 S CB 1.594 64.579 63.200 -0.358 0.000 1.108 360 S HN 0.347 nan 8.310 nan 0.000 0.477 361 F N 1.296 120.885 119.950 -0.601 0.000 2.520 361 F HA 0.624 5.153 4.527 0.003 0.000 0.322 361 F C -0.708 174.630 175.800 -0.770 0.000 1.103 361 F CA -0.620 57.072 58.000 -0.514 0.000 0.926 361 F CB 1.143 39.817 39.000 -0.542 0.000 1.154 361 F HN 0.454 nan 8.300 nan 0.000 0.453 362 Y N 0.100 120.231 120.300 -0.282 0.000 2.499 362 Y HA 0.356 4.908 4.550 0.003 0.000 0.347 362 Y C -0.078 175.631 175.900 -0.319 0.000 0.987 362 Y CA -1.406 56.261 58.100 -0.723 0.000 1.044 362 Y CB 1.741 39.068 38.460 -1.889 0.000 1.245 362 Y HN 0.669 nan 8.280 nan 0.000 0.461 363 D N 1.602 121.910 120.400 -0.153 0.000 2.705 363 D HA -0.199 4.443 4.640 0.003 0.000 0.240 363 D C -1.019 175.484 176.300 0.338 0.000 1.137 363 D CA 0.545 54.665 54.000 0.201 0.000 0.677 363 D CB -0.758 40.306 40.800 0.440 0.000 1.049 363 D HN 0.469 nan 8.370 nan 0.000 0.427 364 I N 1.085 121.807 120.570 0.254 0.000 2.452 364 I HA 0.166 4.338 4.170 0.003 0.000 0.287 364 I C 1.233 177.579 176.117 0.381 0.000 1.079 364 I CA 0.166 61.690 61.300 0.373 0.000 1.387 364 I CB 0.735 38.901 38.000 0.275 0.000 1.404 364 I HN 0.209 nan 8.210 nan 0.000 0.522 365 T N 3.344 118.170 114.554 0.452 0.000 2.908 365 T HA 0.635 4.987 4.350 0.003 0.000 0.290 365 T C -0.847 174.079 174.700 0.376 0.000 1.034 365 T CA -0.767 61.547 62.100 0.355 0.000 1.010 365 T CB 2.287 71.334 68.868 0.300 0.000 1.068 365 T HN 0.345 nan 8.240 nan 0.000 0.481 366 F N 1.635 121.594 119.950 0.016 0.000 2.557 366 F HA 0.512 5.040 4.527 0.003 0.000 0.316 366 F C 0.329 176.122 175.800 -0.012 0.000 1.141 366 F CA -0.874 56.982 58.000 -0.239 0.000 0.922 366 F CB 1.454 40.059 39.000 -0.659 0.000 1.194 366 F HN 0.860 nan 8.300 nan 0.000 0.443 367 K N 4.624 124.618 120.400 -0.677 0.000 3.077 367 K HA -0.217 4.105 4.320 0.003 0.000 0.264 367 K C 0.770 177.303 176.600 -0.113 0.000 1.008 367 K CA 0.901 56.913 56.287 -0.459 0.000 0.740 367 K CB -1.634 30.523 32.500 -0.572 0.000 1.273 367 K HN 1.364 nan 8.250 nan 0.000 0.477 368 G N -0.322 108.459 108.800 -0.031 0.000 2.179 368 G HA2 -0.315 3.646 3.960 0.003 0.000 0.260 368 G HA3 -0.315 3.646 3.960 0.003 0.000 0.260 368 G C -0.236 174.727 174.900 0.105 0.000 0.977 368 G CA 0.735 45.864 45.100 0.048 0.000 0.641 368 G HN 0.493 nan 8.290 nan 0.000 0.533 369 E N -0.205 120.085 120.200 0.150 0.000 2.199 369 E HA 0.448 4.800 4.350 0.003 0.000 0.269 369 E C 0.232 176.964 176.600 0.220 0.000 0.899 369 E CA -0.998 55.519 56.400 0.194 0.000 0.772 369 E CB 1.626 31.475 29.700 0.249 0.000 1.155 369 E HN 0.311 nan 8.360 nan 0.000 0.408 370 R N 3.371 123.992 120.500 0.202 0.000 2.401 370 R HA 0.094 4.435 4.340 0.003 0.000 0.299 370 R C 0.879 177.266 176.300 0.145 0.000 1.064 370 R CA 0.272 56.491 56.100 0.199 0.000 1.000 370 R CB 0.255 30.680 30.300 0.208 0.000 0.973 370 R HN 0.707 nan 8.270 nan 0.000 0.438 371 I N 0.905 121.523 120.570 0.080 0.000 4.139 371 I HA 0.250 4.421 4.170 0.003 0.000 0.320 371 I C -0.637 175.417 176.117 -0.105 0.000 1.290 371 I CA -0.308 60.927 61.300 -0.109 0.000 1.253 371 I CB 0.975 38.725 38.000 -0.416 0.000 1.122 371 I HN 0.152 nan 8.210 nan 0.000 0.421 372 V N 1.093 121.006 119.914 -0.001 0.000 2.569 372 V HA 0.177 4.299 4.120 0.003 0.000 0.301 372 V C 0.104 176.229 176.094 0.052 0.000 1.044 372 V CA -0.643 61.651 62.300 -0.010 0.000 0.874 372 V CB 1.628 33.411 31.823 -0.067 0.000 1.002 372 V HN 0.270 nan 8.190 nan 0.000 0.424 373 Y N 3.864 124.150 120.300 -0.023 0.000 2.184 373 Y HA 0.119 4.671 4.550 0.003 0.000 0.290 373 Y C 1.008 176.870 175.900 -0.063 0.000 1.129 373 Y CA 1.955 60.064 58.100 0.015 0.000 1.144 373 Y CB 0.506 38.979 38.460 0.021 0.000 0.995 373 Y HN 0.660 nan 8.280 nan 0.000 0.513 374 E N 0.438 120.488 120.200 -0.250 0.000 2.290 374 E HA 0.405 4.757 4.350 0.003 0.000 0.274 374 E C -2.322 174.064 176.600 -0.358 0.000 0.889 374 E CA -0.948 55.119 56.400 -0.556 0.000 0.760 374 E CB 1.550 31.048 29.700 -0.337 0.000 1.206 374 E HN 0.149 nan 8.360 nan 0.000 0.419 375 L N 3.940 124.920 121.223 -0.405 0.000 2.372 375 L HA 0.597 4.939 4.340 0.003 0.000 0.274 375 L C -1.749 175.025 176.870 -0.160 0.000 0.988 375 L CA -0.191 54.534 54.840 -0.191 0.000 0.833 375 L CB 1.640 43.602 42.059 -0.163 0.000 1.236 375 L HN 0.523 nan 8.230 nan 0.000 0.410 376 S N 4.398 120.047 115.700 -0.084 0.000 2.668 376 S HA 0.526 4.998 4.470 0.003 0.000 0.277 376 S C -0.822 173.741 174.600 -0.062 0.000 1.170 376 S CA -0.824 57.312 58.200 -0.106 0.000 0.994 376 S CB 1.239 64.310 63.200 -0.215 0.000 1.051 376 S HN 0.794 nan 8.310 nan 0.000 0.484 377 L N 2.940 124.094 121.223 -0.114 0.000 2.525 377 L HA 0.269 4.611 4.340 0.003 0.000 0.278 377 L C 1.074 177.730 176.870 -0.357 0.000 1.218 377 L CA 0.961 55.536 54.840 -0.441 0.000 0.878 377 L CB 0.280 42.021 42.059 -0.530 0.000 1.127 377 L HN 0.840 nan 8.230 nan 0.000 0.492 378 Q N 2.303 121.867 119.800 -0.394 0.000 2.442 378 Q HA 0.245 4.587 4.340 0.003 0.000 0.228 378 Q C -0.146 175.649 176.000 -0.341 0.000 0.902 378 Q CA 0.343 55.964 55.803 -0.304 0.000 0.933 378 Q CB 0.833 29.418 28.738 -0.255 0.000 1.071 378 Q HN 0.750 nan 8.270 nan 0.000 0.562 379 E N -0.572 119.375 120.200 -0.422 0.000 2.396 379 E HA 0.483 4.835 4.350 0.003 0.000 0.280 379 E C -2.097 174.397 176.600 -0.177 0.000 1.065 379 E CA -0.340 55.902 56.400 -0.263 0.000 0.831 379 E CB 0.962 30.501 29.700 -0.269 0.000 1.272 379 E HN -0.056 nan 8.360 nan 0.000 0.443 380 L N 3.261 124.499 121.223 0.025 0.000 2.438 380 L HA 0.641 4.983 4.340 0.003 0.000 0.270 380 L C -0.522 176.516 176.870 0.279 0.000 0.972 380 L CA -0.588 54.319 54.840 0.113 0.000 0.831 380 L CB 1.608 43.632 42.059 -0.058 0.000 1.273 380 L HN 0.625 nan 8.230 nan 0.000 0.405 381 I N -0.068 120.732 120.570 0.383 0.000 2.797 381 I HA 1.037 5.209 4.170 0.003 0.000 0.307 381 I C -0.393 175.912 176.117 0.313 0.000 1.033 381 I CA -0.896 60.650 61.300 0.409 0.000 1.071 381 I CB 2.286 40.572 38.000 0.477 0.000 1.255 381 I HN 0.612 nan 8.210 nan 0.000 0.445 382 A N 3.592 126.604 122.820 0.320 0.000 2.375 382 A HA 0.539 4.861 4.320 0.003 0.000 0.291 382 A C -0.864 176.705 177.584 -0.025 0.000 1.160 382 A CA -0.421 51.696 52.037 0.133 0.000 0.747 382 A CB 1.005 20.230 19.000 0.375 0.000 1.170 382 A HN 0.837 nan 8.150 nan 0.000 0.458 383 E N 2.697 122.666 120.200 -0.385 0.000 2.155 383 E HA 0.508 4.860 4.350 0.003 0.000 0.264 383 E C -1.634 174.670 176.600 -0.492 0.000 0.886 383 E CA -0.370 55.669 56.400 -0.603 0.000 0.752 383 E CB 0.872 29.903 29.700 -1.115 0.000 1.133 383 E HN 0.620 nan 8.360 nan 0.000 0.414 384 Y N 1.194 121.309 120.300 -0.308 0.000 2.352 384 Y HA 0.529 5.081 4.550 0.003 0.000 0.326 384 Y C 0.888 176.655 175.900 -0.221 0.000 1.166 384 Y CA -0.239 57.744 58.100 -0.194 0.000 1.182 384 Y CB 2.042 40.410 38.460 -0.154 0.000 1.216 384 Y HN 0.548 nan 8.280 nan 0.000 0.474 385 G N 0.864 109.648 108.800 -0.026 0.000 2.470 385 G HA2 0.530 4.492 3.960 0.003 0.000 0.320 385 G HA3 0.530 4.492 3.960 0.003 0.000 0.320 385 G C -1.104 173.811 174.900 0.025 0.000 1.245 385 G CA -0.469 44.630 45.100 -0.001 0.000 0.935 385 G HN 0.576 nan 8.290 nan 0.000 0.476 386 S N 0.044 115.505 115.700 -0.399 0.000 2.588 386 S HA 0.396 4.868 4.470 0.003 0.000 0.269 386 S C 0.110 173.936 174.600 -1.290 0.000 1.157 386 S CA -0.162 57.659 58.200 -0.631 0.000 0.824 386 S CB 1.676 64.717 63.200 -0.266 0.000 1.126 386 S HN 0.653 nan 8.310 nan 0.000 0.464 387 D N 0.912 120.748 120.400 -0.940 0.000 2.347 387 D HA 0.059 4.701 4.640 0.003 0.000 0.213 387 D C 0.254 176.295 176.300 -0.432 0.000 0.985 387 D CA 0.354 53.998 54.000 -0.594 0.000 0.879 387 D CB -0.460 40.231 40.800 -0.180 0.000 0.919 387 D HN 0.592 nan 8.370 nan 0.000 0.526 388 D N -0.316 119.820 120.400 -0.440 0.000 2.228 388 D HA 0.213 4.855 4.640 0.003 0.000 0.247 388 D C -2.059 173.838 176.300 -0.672 0.000 0.995 388 D CA -2.161 51.485 54.000 -0.590 0.000 0.903 388 D CB 1.981 42.451 40.800 -0.551 0.000 1.205 388 D HN -0.247 nan 8.370 nan 0.000 0.459 389 P HA 0.045 nan 4.420 nan 0.000 0.245 389 P C 0.460 177.569 177.300 -0.319 0.000 1.212 389 P CA 0.188 62.924 63.100 -0.607 0.000 0.774 389 P CB -0.043 31.338 31.700 -0.532 0.000 0.999 390 F N 1.534 121.238 119.950 -0.410 0.000 2.222 390 F HA 0.120 4.649 4.527 0.003 0.000 0.285 390 F C 1.870 177.581 175.800 -0.147 0.000 1.068 390 F CA 0.933 58.872 58.000 -0.101 0.000 1.265 390 F CB -0.543 38.541 39.000 0.141 0.000 1.087 390 F HN -0.253 nan 8.300 nan 0.000 0.511 391 N N 0.475 119.160 118.700 -0.025 0.000 2.188 391 N HA -0.182 4.560 4.740 0.003 0.000 0.184 391 N C 1.672 177.027 175.510 -0.258 0.000 1.018 391 N CA 1.215 54.174 53.050 -0.152 0.000 0.858 391 N CB -0.600 37.894 38.487 0.012 0.000 0.989 391 N HN 0.331 nan 8.380 nan 0.000 0.426 392 Q N 0.467 120.040 119.800 -0.379 0.000 2.291 392 Q HA -0.058 4.283 4.340 0.003 0.000 0.205 392 Q C 0.369 176.018 176.000 -0.585 0.000 0.970 392 Q CA 1.498 57.004 55.803 -0.496 0.000 0.876 392 Q CB -0.256 28.096 28.738 -0.644 0.000 0.935 392 Q HN 0.567 nan 8.270 nan 0.000 0.455 393 H N -1.345 117.503 119.070 -0.371 0.000 2.519 393 H HA 0.292 4.850 4.556 0.003 0.000 0.289 393 H C -0.587 174.536 175.328 -0.343 0.000 1.040 393 H CA 0.109 55.956 56.048 -0.335 0.000 1.165 393 H CB 0.587 30.126 29.762 -0.372 0.000 1.462 393 H HN -0.042 nan 8.280 nan 0.000 0.555 394 T N 1.290 115.657 114.554 -0.313 0.000 2.733 394 T HA 0.221 4.573 4.350 0.003 0.000 0.294 394 T C -0.729 173.856 174.700 -0.192 0.000 0.956 394 T CA -0.317 61.517 62.100 -0.443 0.000 0.987 394 T CB 0.340 68.798 68.868 -0.683 0.000 0.920 394 T HN 0.320 nan 8.240 nan 0.000 0.470 395 F N 4.298 124.049 119.950 -0.331 0.000 2.872 395 F HA 0.350 4.879 4.527 0.003 0.000 0.365 395 F C -0.901 174.871 175.800 -0.047 0.000 1.296 395 F CA -1.232 56.682 58.000 -0.142 0.000 1.199 395 F CB 0.492 39.428 39.000 -0.107 0.000 1.687 395 F HN 0.576 nan 8.300 nan 0.000 0.604 396 Y N 1.762 122.341 120.300 0.466 0.000 2.411 396 Y HA 0.138 4.690 4.550 0.003 0.000 0.333 396 Y C 0.887 177.027 175.900 0.400 0.000 1.186 396 Y CA -0.101 58.249 58.100 0.416 0.000 1.381 396 Y CB 1.173 39.874 38.460 0.401 0.000 1.273 396 Y HN 0.345 nan 8.280 nan 0.000 0.546 397 S N 2.329 118.326 115.700 0.496 0.000 2.420 397 S HA 0.148 4.619 4.470 0.003 0.000 0.313 397 S C 0.288 175.120 174.600 0.387 0.000 1.079 397 S CA -0.926 57.477 58.200 0.338 0.000 1.104 397 S CB 0.347 63.648 63.200 0.168 0.000 0.969 397 S HN 0.651 nan 8.310 nan 0.000 0.471 398 D N 3.886 124.495 120.400 0.349 0.000 2.219 398 D HA -0.070 4.572 4.640 0.003 0.000 0.205 398 D C 1.808 178.253 176.300 0.242 0.000 0.970 398 D CA 1.239 55.443 54.000 0.341 0.000 0.851 398 D CB -0.110 40.826 40.800 0.226 0.000 0.943 398 D HN 0.851 nan 8.370 nan 0.000 0.488 399 I N -0.546 120.096 120.570 0.120 0.000 2.676 399 I HA -0.149 4.023 4.170 0.003 0.000 0.259 399 I C 2.112 178.235 176.117 0.011 0.000 1.194 399 I CA 0.937 62.245 61.300 0.013 0.000 1.473 399 I CB -0.327 37.625 38.000 -0.080 0.000 1.096 399 I HN -0.149 nan 8.210 nan 0.000 0.443 400 S N 1.181 116.914 115.700 0.055 0.000 2.368 400 S HA -0.198 4.274 4.470 0.003 0.000 0.224 400 S C 1.964 176.601 174.600 0.062 0.000 1.029 400 S CA 1.036 59.255 58.200 0.030 0.000 0.988 400 S CB -1.150 62.014 63.200 -0.061 0.000 0.838 400 S HN 0.660 nan 8.310 nan 0.000 0.462 401 Y N 2.484 122.904 120.300 0.199 0.000 2.314 401 Y HA 0.326 4.878 4.550 0.003 0.000 0.293 401 Y C 1.598 177.585 175.900 0.145 0.000 1.129 401 Y CA 0.467 58.680 58.100 0.189 0.000 1.201 401 Y CB -0.469 38.071 38.460 0.133 0.000 0.999 401 Y HN 0.603 nan 8.280 nan 0.000 0.541 402 G N -0.517 108.408 108.800 0.208 0.000 3.367 402 G HA2 -0.087 3.875 3.960 0.003 0.000 0.686 402 G HA3 -0.087 3.875 3.960 0.003 0.000 0.686 402 G C -0.123 174.848 174.900 0.118 0.000 1.146 402 G CA -0.342 44.804 45.100 0.077 0.000 0.913 402 G HN -0.026 nan 8.290 nan 0.000 0.554 403 V N 1.896 121.841 119.914 0.051 0.000 3.307 403 V HA 0.293 4.415 4.120 0.003 0.000 0.253 403 V C 2.374 178.559 176.094 0.152 0.000 1.149 403 V CA 2.101 64.487 62.300 0.144 0.000 1.112 403 V CB 0.606 32.476 31.823 0.079 0.000 0.777 403 V HN 1.359 nan 8.190 nan 0.000 0.464 404 G N 1.515 110.280 108.800 -0.058 0.000 3.284 404 G HA2 -0.000 3.962 3.960 0.003 0.000 0.236 404 G HA3 -0.000 3.962 3.960 0.003 0.000 0.236 404 G C 0.508 175.564 174.900 0.261 0.000 1.158 404 G CA 0.224 45.275 45.100 -0.082 0.000 0.774 404 G HN 0.631 nan 8.290 nan 0.000 0.545 405 N N -0.392 118.388 118.700 0.132 0.000 2.480 405 N HA 0.218 4.960 4.740 0.003 0.000 0.281 405 N C 0.619 176.099 175.510 -0.049 0.000 1.381 405 N CA -0.598 52.461 53.050 0.015 0.000 0.903 405 N CB 0.561 38.991 38.487 -0.095 0.000 1.274 405 N HN 0.004 nan 8.380 nan 0.000 0.505 406 R N -0.114 120.423 120.500 0.061 0.000 2.702 406 R HA 0.536 4.878 4.340 0.003 0.000 0.166 406 R C -0.130 176.068 176.300 -0.171 0.000 1.402 406 R CA -0.278 55.774 56.100 -0.080 0.000 1.077 406 R CB -0.534 29.909 30.300 0.239 0.000 1.947 406 R HN 0.073 nan 8.270 nan 0.000 0.494 407 F N -0.072 119.970 119.950 0.153 0.000 2.509 407 F HA 0.392 4.921 4.527 0.004 0.000 0.334 407 F C 0.989 176.889 175.800 0.166 0.000 1.060 407 F CA -0.646 57.405 58.000 0.085 0.000 0.997 407 F CB 0.743 39.769 39.000 0.043 0.000 1.271 407 F HN 0.083 nan 8.300 nan 0.000 0.488 408 S N 0.717 116.630 115.700 0.355 0.000 2.600 408 S HA 0.410 4.882 4.470 0.003 0.000 0.265 408 S C -0.271 174.609 174.600 0.468 0.000 1.325 408 S CA -0.660 57.738 58.200 0.330 0.000 1.002 408 S CB 0.395 63.730 63.200 0.226 0.000 0.921 408 S HN 0.310 nan 8.310 nan 0.000 0.554 409 L N 1.756 123.200 121.223 0.370 0.000 2.371 409 L HA 0.309 4.650 4.340 0.003 0.000 0.272 409 L C -0.426 176.532 176.870 0.146 0.000 1.124 409 L CA -0.656 54.368 54.840 0.306 0.000 0.816 409 L CB 0.626 42.922 42.059 0.395 0.000 1.129 409 L HN 0.306 nan 8.230 nan 0.000 0.448 410 V N 4.321 124.205 119.914 -0.049 0.000 2.389 410 V HA 0.165 4.287 4.120 0.003 0.000 0.264 410 V C -1.968 174.130 176.094 0.006 0.000 1.049 410 V CA -1.580 60.536 62.300 -0.307 0.000 0.932 410 V CB 0.582 32.164 31.823 -0.402 0.000 1.011 410 V HN 0.609 nan 8.190 nan 0.000 0.475 411 P HA 0.164 nan 4.420 nan 0.000 0.266 411 P C 1.156 178.525 177.300 0.114 0.000 1.193 411 P CA 1.424 64.530 63.100 0.010 0.000 0.770 411 P CB 0.635 32.201 31.700 -0.224 0.000 0.836 412 G N 0.848 109.659 108.800 0.018 0.000 2.435 412 G HA2 -0.376 3.585 3.960 0.003 0.000 0.245 412 G HA3 -0.376 3.585 3.960 0.003 0.000 0.245 412 G C 0.786 175.570 174.900 -0.192 0.000 1.073 412 G CA 0.449 45.488 45.100 -0.102 0.000 0.638 412 G HN 0.510 nan 8.290 nan 0.000 0.521 413 Y N 0.029 120.347 120.300 0.030 0.000 2.382 413 Y HA 0.266 4.818 4.550 0.003 0.000 0.292 413 Y C 2.524 178.413 175.900 -0.018 0.000 1.151 413 Y CA 0.975 59.079 58.100 0.007 0.000 1.198 413 Y CB 0.011 38.481 38.460 0.017 0.000 1.195 413 Y HN 0.138 nan 8.280 nan 0.000 0.530 414 D N -0.680 119.825 120.400 0.175 0.000 2.183 414 D HA -0.010 4.631 4.640 0.003 0.000 0.203 414 D C -0.068 176.250 176.300 0.031 0.000 0.969 414 D CA 0.932 54.996 54.000 0.107 0.000 0.842 414 D CB 0.071 40.959 40.800 0.147 0.000 0.957 414 D HN 0.124 nan 8.370 nan 0.000 0.484 415 c N -0.137 118.464 118.600 0.001 0.000 2.898 415 c HA 0.427 4.999 4.570 0.003 0.000 0.304 415 c C -2.382 171.528 174.090 -0.301 0.000 1.237 415 c CA -1.655 54.539 56.329 -0.225 0.000 1.529 415 c CB 2.063 44.512 42.510 -0.102 0.000 2.021 415 c HN 0.031 nan 8.230 nan 0.000 0.474 416 P HA 0.142 nan 4.420 nan 0.000 0.269 416 P C 0.338 177.508 177.300 -0.217 0.000 1.217 416 P CA 0.287 63.151 63.100 -0.395 0.000 0.783 416 P CB 0.479 31.879 31.700 -0.500 0.000 0.898 417 A N 1.929 124.656 122.820 -0.155 0.000 2.024 417 A HA -0.176 4.145 4.320 0.003 0.000 0.220 417 A C 1.727 179.286 177.584 -0.041 0.000 1.164 417 A CA 2.343 54.320 52.037 -0.099 0.000 0.643 417 A CB -1.802 17.131 19.000 -0.112 0.000 0.806 417 A HN 0.653 nan 8.150 nan 0.000 0.451 418 T N -2.330 112.205 114.554 -0.030 0.000 3.160 418 T HA 0.505 4.857 4.350 0.003 0.000 0.257 418 T C 0.746 175.523 174.700 0.127 0.000 1.147 418 T CA 0.363 62.491 62.100 0.048 0.000 1.064 418 T CB -0.555 68.360 68.868 0.079 0.000 0.949 418 T HN 0.622 nan 8.240 nan 0.000 0.526 419 A N 0.761 123.610 122.820 0.049 0.000 2.386 419 A HA 0.655 4.977 4.320 0.003 0.000 0.248 419 A C 0.796 178.384 177.584 0.007 0.000 1.082 419 A CA -0.208 51.858 52.037 0.048 0.000 0.789 419 A CB -0.061 18.803 19.000 -0.228 0.000 1.025 419 A HN 0.560 nan 8.150 nan 0.000 0.490 420 G N -0.605 108.278 108.800 0.139 0.000 2.371 420 G HA2 0.557 4.519 3.960 0.003 0.000 0.326 420 G HA3 0.557 4.519 3.960 0.003 0.000 0.326 420 G C -1.113 173.580 174.900 -0.345 0.000 1.127 420 G CA -0.297 44.843 45.100 0.067 0.000 0.885 420 G HN 0.533 nan 8.290 nan 0.000 0.477 421 Y N -0.231 119.869 120.300 -0.332 0.000 2.446 421 Y HA 0.655 5.207 4.550 0.003 0.000 0.338 421 Y C -0.440 174.926 175.900 -0.889 0.000 1.055 421 Y CA -0.519 57.364 58.100 -0.361 0.000 1.101 421 Y CB 2.406 40.764 38.460 -0.170 0.000 1.221 421 Y HN 0.404 nan 8.280 nan 0.000 0.460 422 F N 0.063 119.863 119.950 -0.251 0.000 2.540 422 F HA 0.476 5.005 4.527 0.003 0.000 0.317 422 F C -0.026 175.568 175.800 -0.343 0.000 1.104 422 F CA -0.959 56.781 58.000 -0.433 0.000 0.913 422 F CB 2.056 40.480 39.000 -0.961 0.000 1.170 422 F HN 0.256 nan 8.300 nan 0.000 0.450 423 T N 1.565 116.099 114.554 -0.034 0.000 2.845 423 T HA 0.586 4.938 4.350 0.003 0.000 0.288 423 T C 0.065 174.725 174.700 -0.065 0.000 0.980 423 T CA -0.490 61.576 62.100 -0.056 0.000 1.071 423 T CB 1.117 69.987 68.868 0.004 0.000 0.941 423 T HN 0.753 nan 8.240 nan 0.000 0.487 424 T N -0.076 114.346 114.554 -0.220 0.000 2.831 424 T HA 0.817 5.169 4.350 0.003 0.000 0.287 424 T C -1.587 172.974 174.700 -0.232 0.000 1.070 424 T CA -1.083 60.840 62.100 -0.295 0.000 1.010 424 T CB 1.863 70.164 68.868 -0.945 0.000 1.264 424 T HN 0.629 nan 8.240 nan 0.000 0.532 425 D N -1.167 119.138 120.400 -0.159 0.000 2.583 425 D HA 0.682 5.324 4.640 0.003 0.000 0.248 425 D C -0.693 175.545 176.300 -0.103 0.000 1.209 425 D CA -0.690 53.193 54.000 -0.194 0.000 0.848 425 D CB 1.731 42.343 40.800 -0.313 0.000 1.431 425 D HN 0.914 nan 8.370 nan 0.000 0.436 426 T N -3.060 111.384 114.554 -0.183 0.000 2.787 426 T HA 0.677 5.029 4.350 0.003 0.000 0.297 426 T C -1.566 173.154 174.700 0.034 0.000 1.221 426 T CA -1.031 61.060 62.100 -0.015 0.000 1.006 426 T CB 1.284 70.166 68.868 0.023 0.000 1.328 426 T HN 0.523 nan 8.240 nan 0.000 0.509 427 F N 0.395 120.386 119.950 0.068 0.000 2.561 427 F HA 0.706 5.235 4.527 0.003 0.000 0.313 427 F C -1.155 174.830 175.800 0.308 0.000 1.126 427 F CA -0.472 57.667 58.000 0.232 0.000 0.918 427 F CB 1.669 40.828 39.000 0.264 0.000 1.199 427 F HN 0.793 nan 8.300 nan 0.000 0.444 428 E N 5.232 125.214 120.200 -0.363 0.000 2.304 428 E HA 0.233 4.585 4.350 0.003 0.000 0.277 428 E C -1.601 174.809 176.600 -0.317 0.000 0.898 428 E CA -1.057 55.206 56.400 -0.228 0.000 0.764 428 E CB 1.999 31.785 29.700 0.144 0.000 1.216 428 E HN 0.678 nan 8.360 nan 0.000 0.419 429 Y N 2.103 122.259 120.300 -0.241 0.000 2.988 429 Y HA -0.296 4.255 4.550 0.003 0.000 0.193 429 Y C 0.100 175.923 175.900 -0.128 0.000 1.388 429 Y CA 1.101 59.148 58.100 -0.089 0.000 0.904 429 Y CB -1.935 36.517 38.460 -0.013 0.000 1.297 429 Y HN 0.784 nan 8.280 nan 0.000 0.432 430 D N -1.799 118.572 120.400 -0.049 0.000 2.946 430 D HA -0.205 4.436 4.640 0.003 0.000 0.202 430 D C -0.033 176.320 176.300 0.088 0.000 1.068 430 D CA 1.545 55.656 54.000 0.183 0.000 1.011 430 D CB -0.685 40.244 40.800 0.215 0.000 1.105 430 D HN 0.785 nan 8.370 nan 0.000 0.425 431 E N -0.572 119.477 120.200 -0.252 0.000 2.234 431 E HA 0.465 4.817 4.350 0.003 0.000 0.266 431 E C -0.755 175.852 176.600 0.012 0.000 0.877 431 E CA -0.788 55.554 56.400 -0.097 0.000 0.758 431 E CB 1.892 31.433 29.700 -0.265 0.000 1.170 431 E HN -0.007 nan 8.360 nan 0.000 0.415 432 F N 2.988 123.015 119.950 0.129 0.000 2.411 432 F HA 0.316 4.845 4.527 0.003 0.000 0.350 432 F C -1.084 174.756 175.800 0.067 0.000 1.114 432 F CA -0.323 57.848 58.000 0.284 0.000 1.135 432 F CB 0.388 39.551 39.000 0.272 0.000 1.120 432 F HN 0.379 nan 8.300 nan 0.000 0.495 433 Y N 4.255 124.415 120.300 -0.234 0.000 2.341 433 Y HA 0.310 4.862 4.550 0.003 0.000 0.337 433 Y C -0.109 175.655 175.900 -0.226 0.000 1.014 433 Y CA -0.921 57.099 58.100 -0.132 0.000 1.111 433 Y CB 1.114 39.512 38.460 -0.103 0.000 1.194 433 Y HN 0.482 nan 8.280 nan 0.000 0.462 434 N N 3.013 121.766 118.700 0.088 0.000 2.424 434 N HA 0.389 5.131 4.740 0.003 0.000 0.271 434 N C -1.310 174.222 175.510 0.036 0.000 0.985 434 N CA -0.859 52.236 53.050 0.074 0.000 0.921 434 N CB 0.638 39.218 38.487 0.154 0.000 1.149 434 N HN 0.546 nan 8.380 nan 0.000 0.492 435 R N 1.165 121.645 120.500 -0.033 0.000 2.320 435 R HA 0.334 4.676 4.340 0.003 0.000 0.319 435 R C -0.005 176.249 176.300 -0.076 0.000 0.969 435 R CA -0.803 55.262 56.100 -0.058 0.000 0.857 435 R CB 0.707 30.934 30.300 -0.121 0.000 1.160 435 R HN 0.508 nan 8.270 nan 0.000 0.491 436 T N -0.686 113.847 114.554 -0.035 0.000 2.849 436 T HA 0.292 4.644 4.350 0.003 0.000 0.284 436 T C 0.944 175.632 174.700 -0.019 0.000 1.004 436 T CA -0.836 61.244 62.100 -0.035 0.000 1.021 436 T CB 0.595 69.447 68.868 -0.026 0.000 1.013 436 T HN 0.647 nan 8.240 nan 0.000 0.527 437 L N 0.003 121.218 121.223 -0.014 0.000 3.678 437 L HA -0.237 4.104 4.340 0.003 0.000 0.425 437 L C 1.785 178.748 176.870 0.155 0.000 1.240 437 L CA 0.553 55.426 54.840 0.054 0.000 0.876 437 L CB -2.410 39.596 42.059 -0.088 0.000 1.766 437 L HN 0.951 nan 8.230 nan 0.000 0.917 438 S N -0.432 115.290 115.700 0.036 0.000 2.377 438 S HA 0.010 4.482 4.470 0.003 0.000 0.223 438 S C 0.427 175.161 174.600 0.223 0.000 1.030 438 S CA 1.149 59.331 58.200 -0.030 0.000 0.970 438 S CB 0.223 63.146 63.200 -0.462 0.000 0.830 438 S HN 0.580 nan 8.310 nan 0.000 0.473 439 Y N -0.316 120.092 120.300 0.180 0.000 2.615 439 Y HA 0.714 5.266 4.550 0.003 0.000 0.341 439 Y C -0.494 175.598 175.900 0.320 0.000 1.089 439 Y CA -1.838 56.448 58.100 0.311 0.000 1.049 439 Y CB 0.552 39.171 38.460 0.265 0.000 1.296 439 Y HN 0.215 nan 8.280 nan 0.000 0.470 440 c N 0.660 119.490 118.600 0.384 0.000 2.779 440 c HA 0.971 5.542 4.570 0.003 0.000 0.314 440 c C -1.147 173.001 174.090 0.096 0.000 1.231 440 c CA -1.006 55.362 56.329 0.065 0.000 1.652 440 c CB 1.158 43.539 42.510 -0.214 0.000 2.198 440 c HN 0.870 nan 8.230 nan 0.000 0.483 441 V N 2.553 122.426 119.914 -0.068 0.000 2.638 441 V HA 0.834 4.956 4.120 0.003 0.000 0.306 441 V C -0.521 175.390 176.094 -0.305 0.000 1.052 441 V CA -0.110 61.927 62.300 -0.440 0.000 0.885 441 V CB 1.252 32.500 31.823 -0.957 0.000 0.999 441 V HN 1.030 nan 8.190 nan 0.000 0.424 442 F N 0.714 120.390 119.950 -0.457 0.000 2.654 442 F HA 0.708 5.237 4.527 0.003 0.000 0.308 442 F C -0.731 174.911 175.800 -0.264 0.000 1.108 442 F CA -1.103 56.778 58.000 -0.199 0.000 0.957 442 F CB 1.743 40.682 39.000 -0.100 0.000 1.309 442 F HN 0.464 nan 8.300 nan 0.000 0.446 443 E N 2.080 122.343 120.200 0.105 0.000 2.146 443 E HA 0.280 4.632 4.350 0.003 0.000 0.282 443 E C -1.209 175.459 176.600 0.113 0.000 0.989 443 E CA -0.602 55.776 56.400 -0.037 0.000 0.799 443 E CB 0.843 30.646 29.700 0.172 0.000 1.088 443 E HN 0.657 nan 8.360 nan 0.000 0.397 444 N N 2.826 121.517 118.700 -0.014 0.000 2.482 444 N HA 0.104 4.845 4.740 0.003 0.000 0.279 444 N C -1.314 174.220 175.510 0.039 0.000 1.182 444 N CA -0.461 52.645 53.050 0.093 0.000 0.969 444 N CB 1.391 39.924 38.487 0.076 0.000 1.201 444 N HN 0.307 nan 8.380 nan 0.000 0.523 445 Q N 1.595 121.427 119.800 0.053 0.000 2.400 445 Q HA 0.245 4.586 4.340 0.003 0.000 0.255 445 Q C -1.024 174.981 176.000 0.008 0.000 1.008 445 Q CA -0.480 55.348 55.803 0.042 0.000 0.841 445 Q CB 0.430 29.207 28.738 0.064 0.000 1.220 445 Q HN 0.396 nan 8.270 nan 0.000 0.474 446 E N 1.913 122.080 120.200 -0.055 0.000 2.408 446 E HA -0.035 4.317 4.350 0.003 0.000 0.259 446 E C 0.022 176.588 176.600 -0.056 0.000 1.110 446 E CA 0.134 56.479 56.400 -0.093 0.000 0.929 446 E CB 0.630 30.148 29.700 -0.303 0.000 0.971 446 E HN 0.731 nan 8.360 nan 0.000 0.438 447 D N 0.143 120.582 120.400 0.065 0.000 2.325 447 D HA -0.047 4.595 4.640 0.003 0.000 0.234 447 D C -0.017 176.402 176.300 0.199 0.000 1.122 447 D CA -0.044 54.028 54.000 0.120 0.000 0.850 447 D CB -0.669 40.208 40.800 0.128 0.000 0.921 447 D HN 0.361 nan 8.370 nan 0.000 0.513 448 Y N -1.642 118.715 120.300 0.095 0.000 2.553 448 Y HA 0.606 5.158 4.550 0.003 0.000 0.347 448 Y C -0.046 175.928 175.900 0.124 0.000 1.019 448 Y CA -1.865 56.292 58.100 0.096 0.000 1.032 448 Y CB 0.644 39.153 38.460 0.083 0.000 1.284 448 Y HN -0.096 nan 8.280 nan 0.000 0.466 449 S N 2.312 118.098 115.700 0.144 0.000 2.603 449 S HA 0.145 4.617 4.470 0.003 0.000 0.268 449 S C 0.677 175.351 174.600 0.123 0.000 1.317 449 S CA -0.439 57.817 58.200 0.092 0.000 1.012 449 S CB 1.240 64.530 63.200 0.151 0.000 0.926 449 S HN 0.943 nan 8.310 nan 0.000 0.539 450 L N 1.062 122.352 121.223 0.111 0.000 2.093 450 L HA 0.315 4.657 4.340 0.003 0.000 0.208 450 L C 0.205 177.187 176.870 0.186 0.000 1.085 450 L CA 1.683 56.625 54.840 0.169 0.000 0.755 450 L CB -0.921 41.242 42.059 0.174 0.000 0.904 450 L HN 0.877 nan 8.230 nan 0.000 0.435 451 L N -3.292 118.032 121.223 0.167 0.000 2.838 451 L HA 0.648 4.990 4.340 0.003 0.000 0.266 451 L C -0.914 176.055 176.870 0.164 0.000 1.040 451 L CA -0.960 53.972 54.840 0.153 0.000 0.906 451 L CB 1.590 43.724 42.059 0.125 0.000 1.501 451 L HN 0.160 nan 8.230 nan 0.000 0.407 452 R N -0.347 120.255 120.500 0.170 0.000 2.728 452 R HA 0.737 5.079 4.340 0.003 0.000 0.274 452 R C -1.954 174.501 176.300 0.258 0.000 1.032 452 R CA -0.907 55.310 56.100 0.195 0.000 0.866 452 R CB 1.308 31.702 30.300 0.156 0.000 1.263 452 R HN 0.958 nan 8.270 nan 0.000 0.475 453 H N -0.197 118.962 119.070 0.149 0.000 3.085 453 H HA 0.452 5.009 4.556 0.003 0.000 0.356 453 H C -1.734 173.630 175.328 0.060 0.000 1.178 453 H CA -0.138 55.977 56.048 0.111 0.000 1.214 453 H CB 2.854 32.705 29.762 0.148 0.000 1.881 453 H HN 0.719 nan 8.280 nan 0.000 0.538 454 T N 3.314 117.419 114.554 -0.748 0.000 2.792 454 T HA 0.706 5.058 4.350 0.003 0.000 0.280 454 T C -0.363 173.714 174.700 -1.039 0.000 0.990 454 T CA 0.027 61.713 62.100 -0.690 0.000 0.960 454 T CB 1.058 69.695 68.868 -0.386 0.000 0.939 454 T HN 0.863 nan 8.240 nan 0.000 0.439 455 G N 0.689 108.899 108.800 -0.984 0.000 2.466 455 G HA2 0.590 4.552 3.960 0.003 0.000 0.291 455 G HA3 0.590 4.552 3.960 0.003 0.000 0.291 455 G C -0.187 174.352 174.900 -0.600 0.000 1.460 455 G CA 0.129 44.857 45.100 -0.621 0.000 0.791 455 G HN 1.235 nan 8.290 nan 0.000 0.505 456 A N -0.413 122.273 122.820 -0.225 0.000 2.745 456 A HA 0.175 4.497 4.320 0.003 0.000 0.296 456 A C 1.497 179.086 177.584 0.007 0.000 1.500 456 A CA 1.731 53.740 52.037 -0.047 0.000 0.766 456 A CB -1.926 17.148 19.000 0.123 0.000 1.030 456 A HN 2.533 nan 8.150 nan 0.000 0.489 457 S N -4.070 111.596 115.700 -0.056 0.000 3.490 457 S HA -0.237 4.235 4.470 0.003 0.000 0.301 457 S C -0.016 174.615 174.600 0.053 0.000 1.233 457 S CA 2.343 60.562 58.200 0.032 0.000 0.914 457 S CB -2.405 60.847 63.200 0.087 0.000 1.047 457 S HN 2.480 nan 8.310 nan 0.000 0.602 458 Y N -1.794 118.493 120.300 -0.020 0.000 2.609 458 Y HA 0.870 5.422 4.550 0.003 0.000 0.342 458 Y C -0.471 175.419 175.900 -0.016 0.000 1.058 458 Y CA -1.310 56.742 58.100 -0.080 0.000 1.055 458 Y CB 1.195 39.592 38.460 -0.105 0.000 1.292 458 Y HN -0.036 nan 8.280 nan 0.000 0.476 459 S N 1.141 116.960 115.700 0.197 0.000 2.557 459 S HA 0.862 5.334 4.470 0.003 0.000 0.291 459 S C -1.197 173.603 174.600 0.334 0.000 1.116 459 S CA -0.557 57.721 58.200 0.131 0.000 0.992 459 S CB 1.384 64.530 63.200 -0.090 0.000 1.028 459 S HN 1.029 nan 8.310 nan 0.000 0.484 460 A N 3.738 126.818 122.820 0.433 0.000 2.319 460 A HA 0.865 5.187 4.320 0.003 0.000 0.310 460 A C -0.845 176.921 177.584 0.303 0.000 1.152 460 A CA -0.545 51.762 52.037 0.451 0.000 0.783 460 A CB 0.348 19.646 19.000 0.497 0.000 1.184 460 A HN 0.786 nan 8.150 nan 0.000 0.474 461 I N 1.402 122.137 120.570 0.274 0.000 2.619 461 I HA 0.425 4.597 4.170 0.003 0.000 0.292 461 I C -0.402 175.852 176.117 0.228 0.000 1.100 461 I CA -0.422 61.013 61.300 0.224 0.000 1.043 461 I CB 2.850 40.968 38.000 0.197 0.000 1.239 461 I HN 0.502 nan 8.210 nan 0.000 0.420 462 T N 4.749 119.419 114.554 0.194 0.000 2.792 462 T HA 0.354 4.706 4.350 0.003 0.000 0.280 462 T C -0.264 174.542 174.700 0.178 0.000 0.990 462 T CA -0.576 61.633 62.100 0.182 0.000 0.960 462 T CB 1.453 70.407 68.868 0.144 0.000 0.939 462 T HN 0.476 nan 8.240 nan 0.000 0.439 463 Q N 1.834 121.751 119.800 0.195 0.000 2.471 463 Q HA 0.267 4.609 4.340 0.003 0.000 0.223 463 Q C 0.155 176.238 176.000 0.138 0.000 1.045 463 Q CA -0.462 55.445 55.803 0.174 0.000 0.956 463 Q CB 0.451 29.320 28.738 0.219 0.000 1.249 463 Q HN 0.385 nan 8.270 nan 0.000 0.549 464 N N 1.320 120.067 118.700 0.078 0.000 2.813 464 N HA 0.252 4.993 4.740 0.003 0.000 0.282 464 N C -2.692 172.851 175.510 0.054 0.000 1.748 464 N CA -1.857 51.224 53.050 0.052 0.000 0.860 464 N CB 0.764 39.152 38.487 -0.165 0.000 1.204 464 N HN 0.253 nan 8.380 nan 0.000 0.490 465 P HA 0.232 nan 4.420 nan 0.000 0.279 465 P C -0.615 176.804 177.300 0.198 0.000 1.239 465 P CA -0.042 63.169 63.100 0.185 0.000 0.789 465 P CB 1.159 33.048 31.700 0.314 0.000 0.933 466 T N 0.241 114.729 114.554 -0.110 0.000 2.907 466 T HA 0.532 4.884 4.350 0.003 0.000 0.292 466 T C -0.485 173.654 174.700 -0.935 0.000 1.043 466 T CA -0.979 60.818 62.100 -0.506 0.000 1.003 466 T CB 1.203 69.640 68.868 -0.719 0.000 1.084 466 T HN 0.195 nan 8.240 nan 0.000 0.483 467 L N 2.270 122.574 121.223 -1.531 0.000 2.312 467 L HA 0.558 4.899 4.340 0.003 0.000 0.281 467 L C -0.560 175.780 176.870 -0.884 0.000 1.070 467 L CA -0.209 53.790 54.840 -1.402 0.000 0.805 467 L CB 0.618 41.717 42.059 -1.600 0.000 1.174 467 L HN 0.730 nan 8.230 nan 0.000 0.434 468 N N 3.973 122.076 118.700 -0.994 0.000 2.295 468 N HA 0.459 5.201 4.740 0.003 0.000 0.293 468 N C -1.643 173.411 175.510 -0.762 0.000 1.040 468 N CA -0.432 52.038 53.050 -0.966 0.000 0.840 468 N CB 2.532 40.027 38.487 -1.653 0.000 1.468 468 N HN 0.294 nan 8.380 nan 0.000 0.478 469 V N 2.161 121.878 119.914 -0.328 0.000 2.409 469 V HA 0.496 4.618 4.120 0.003 0.000 0.291 469 V C 0.117 176.307 176.094 0.161 0.000 1.020 469 V CA -0.703 61.547 62.300 -0.084 0.000 0.848 469 V CB 1.887 33.722 31.823 0.019 0.000 0.990 469 V HN 0.604 nan 8.190 nan 0.000 0.430 470 R N 4.597 125.252 120.500 0.259 0.000 2.686 470 R HA 0.780 5.122 4.340 0.003 0.000 0.286 470 R C -1.640 174.996 176.300 0.560 0.000 0.969 470 R CA -0.494 55.822 56.100 0.361 0.000 0.898 470 R CB 2.093 32.576 30.300 0.306 0.000 1.183 470 R HN 0.658 nan 8.270 nan 0.000 0.456 471 F N 2.273 122.481 119.950 0.430 0.000 2.613 471 F HA 0.681 5.210 4.527 0.003 0.000 0.314 471 F C -1.658 174.432 175.800 0.484 0.000 1.075 471 F CA -1.247 57.048 58.000 0.491 0.000 0.945 471 F CB 1.360 40.730 39.000 0.617 0.000 1.310 471 F HN 0.282 nan 8.300 nan 0.000 0.467 472 I N 2.232 123.034 120.570 0.386 0.000 2.466 472 I HA 0.341 4.513 4.170 0.003 0.000 0.289 472 I C -0.742 175.615 176.117 0.400 0.000 1.026 472 I CA -0.761 60.660 61.300 0.201 0.000 1.078 472 I CB 2.043 40.161 38.000 0.197 0.000 1.249 472 I HN 0.738 nan 8.210 nan 0.000 0.429 473 S N 4.153 120.068 115.700 0.357 0.000 2.520 473 S HA 0.408 4.880 4.470 0.003 0.000 0.324 473 S C -0.291 174.562 174.600 0.423 0.000 1.069 473 S CA -0.351 58.163 58.200 0.524 0.000 1.121 473 S CB 0.507 64.106 63.200 0.665 0.000 0.971 473 S HN 0.562 nan 8.310 nan 0.000 0.463 474 T N 6.612 121.419 114.554 0.422 0.000 2.738 474 T HA 0.421 4.773 4.350 0.003 0.000 0.298 474 T C -0.081 174.839 174.700 0.367 0.000 0.962 474 T CA -0.170 62.126 62.100 0.326 0.000 0.972 474 T CB -0.093 68.937 68.868 0.270 0.000 0.928 474 T HN 0.575 nan 8.240 nan 0.000 0.474 475 I N 3.751 124.484 120.570 0.272 0.000 2.428 475 I HA 0.423 4.595 4.170 0.003 0.000 0.279 475 I C 1.279 177.455 176.117 0.098 0.000 1.040 475 I CA -0.386 61.040 61.300 0.210 0.000 1.171 475 I CB 0.438 38.584 38.000 0.242 0.000 1.312 475 I HN 0.878 nan 8.210 nan 0.000 0.470 476 G N 6.433 115.300 108.800 0.110 0.000 2.602 476 G HA2 -0.326 3.635 3.960 0.003 0.000 0.310 476 G HA3 -0.326 3.635 3.960 0.003 0.000 0.310 476 G C 0.289 175.237 174.900 0.081 0.000 1.183 476 G CA 0.410 45.544 45.100 0.056 0.000 0.979 476 G HN 0.716 nan 8.290 nan 0.000 0.545 480 Y N 1.277 121.576 120.300 -0.001 0.000 2.335 480 Y HA 0.470 5.022 4.550 0.003 0.000 0.339 480 Y C 0.431 175.975 175.900 -0.593 0.000 0.987 480 Y CA -0.813 57.096 58.100 -0.319 0.000 1.140 480 Y CB 1.118 39.308 38.460 -0.450 0.000 1.173 480 Y HN 0.226 nan 8.280 nan 0.000 0.486 481 N N 4.457 122.859 118.700 -0.497 0.000 2.501 481 N HA 0.265 5.007 4.740 0.003 0.000 0.245 481 N C -1.784 173.358 175.510 -0.612 0.000 0.974 481 N CA -0.423 52.295 53.050 -0.554 0.000 0.941 481 N CB 0.148 38.141 38.487 -0.824 0.000 1.122 481 N HN 0.393 nan 8.380 nan 0.000 0.507 482 F N 2.869 122.663 119.950 -0.261 0.000 2.420 482 F HA 0.478 5.007 4.527 0.003 0.000 0.342 482 F C 0.236 175.938 175.800 -0.164 0.000 1.113 482 F CA -0.969 56.893 58.000 -0.231 0.000 1.059 482 F CB 1.399 40.238 39.000 -0.268 0.000 1.128 482 F HN 0.210 nan 8.300 nan 0.000 0.475 483 L N 4.389 125.516 121.223 -0.160 0.000 2.408 483 L HA 0.571 4.913 4.340 0.003 0.000 0.268 483 L C -1.877 174.646 176.870 -0.579 0.000 0.986 483 L CA -0.880 53.835 54.840 -0.208 0.000 0.820 483 L CB 1.466 43.408 42.059 -0.194 0.000 1.303 483 L HN 0.434 nan 8.230 nan 0.000 0.411 484 Y N 3.877 124.007 120.300 -0.283 0.000 2.326 484 Y HA 0.527 5.078 4.550 0.003 0.000 0.331 484 Y C -0.279 175.232 175.900 -0.649 0.000 0.962 484 Y CA -0.562 57.199 58.100 -0.566 0.000 1.167 484 Y CB 1.655 39.716 38.460 -0.666 0.000 1.148 484 Y HN 0.424 nan 8.280 nan 0.000 0.463 485 K N 4.382 124.376 120.400 -0.676 0.000 2.413 485 K HA 0.564 4.886 4.320 0.003 0.000 0.257 485 K C -1.900 174.227 176.600 -0.789 0.000 0.946 485 K CA -0.521 55.380 56.287 -0.643 0.000 0.823 485 K CB 0.765 32.964 32.500 -0.502 0.000 1.109 485 K HN 0.474 nan 8.250 nan 0.000 0.427 486 F N 4.291 123.781 119.950 -0.767 0.000 2.436 486 F HA 0.467 4.995 4.527 0.003 0.000 0.340 486 F C -0.244 175.346 175.800 -0.350 0.000 1.113 486 F CA -0.584 57.006 58.000 -0.683 0.000 1.022 486 F CB 0.895 39.215 39.000 -1.133 0.000 1.128 486 F HN 0.348 nan 8.300 nan 0.000 0.466 487 F N 1.958 122.090 119.950 0.305 0.000 2.541 487 F HA 0.400 4.929 4.527 0.003 0.000 0.331 487 F C 1.142 177.356 175.800 0.690 0.000 1.057 487 F CA -0.880 57.391 58.000 0.452 0.000 0.975 487 F CB 1.207 40.350 39.000 0.239 0.000 1.246 487 F HN 0.307 nan 8.300 nan 0.000 0.484 488 L N 0.816 122.461 121.223 0.703 0.000 2.265 488 L HA -0.174 4.168 4.340 0.003 0.000 0.215 488 L C 1.861 178.963 176.870 0.387 0.000 1.117 488 L CA 1.162 56.285 54.840 0.472 0.000 0.782 488 L CB -0.432 41.802 42.059 0.293 0.000 0.914 488 L HN 0.693 nan 8.230 nan 0.000 0.441 489 D N -0.932 119.649 120.400 0.301 0.000 2.349 489 D HA -0.015 4.627 4.640 0.003 0.000 0.215 489 D C 1.402 177.641 176.300 -0.101 0.000 1.016 489 D CA 0.986 55.087 54.000 0.169 0.000 0.870 489 D CB 0.613 41.494 40.800 0.134 0.000 0.917 489 D HN 0.279 nan 8.370 nan 0.000 0.524 490 G N -0.094 108.451 108.800 -0.424 0.000 2.168 490 G HA2 -0.201 3.761 3.960 0.003 0.000 0.197 490 G HA3 -0.201 3.761 3.960 0.003 0.000 0.197 490 G C 0.212 175.182 174.900 0.116 0.000 0.997 490 G CA 0.069 44.604 45.100 -0.941 0.000 0.658 490 G HN 0.388 nan 8.290 nan 0.000 0.513 491 T N 0.969 115.694 114.554 0.284 0.000 2.889 491 T HA 0.601 4.952 4.350 0.003 0.000 0.291 491 T C -0.259 174.654 174.700 0.355 0.000 0.995 491 T CA 0.139 62.382 62.100 0.239 0.000 1.092 491 T CB 1.912 70.731 68.868 -0.080 0.000 0.954 491 T HN 0.798 nan 8.240 nan 0.000 0.506 492 L N 2.761 124.053 121.223 0.114 0.000 2.365 492 L HA 0.615 4.956 4.340 0.003 0.000 0.273 492 L C -0.511 176.189 176.870 -0.282 0.000 1.000 492 L CA -0.522 54.156 54.840 -0.270 0.000 0.819 492 L CB 1.835 43.570 42.059 -0.539 0.000 1.284 492 L HN 0.646 nan 8.230 nan 0.000 0.418 493 E N 3.670 123.663 120.200 -0.344 0.000 2.171 493 E HA 0.578 4.930 4.350 0.003 0.000 0.271 493 E C -1.756 174.438 176.600 -0.676 0.000 0.916 493 E CA -0.773 55.390 56.400 -0.395 0.000 0.774 493 E CB 1.874 31.502 29.700 -0.121 0.000 1.128 493 E HN 0.564 nan 8.360 nan 0.000 0.403 494 V N 3.917 123.244 119.914 -0.979 0.000 2.417 494 V HA 0.432 4.554 4.120 0.003 0.000 0.291 494 V C -0.203 175.315 176.094 -0.961 0.000 1.024 494 V CA -0.357 61.218 62.300 -1.208 0.000 0.861 494 V CB 1.202 31.978 31.823 -1.746 0.000 0.985 494 V HN 0.763 nan 8.190 nan 0.000 0.436 495 S N 3.972 119.256 115.700 -0.693 0.000 2.618 495 S HA 0.872 5.344 4.470 0.003 0.000 0.277 495 S C -1.210 173.271 174.600 -0.198 0.000 1.138 495 S CA -0.794 57.184 58.200 -0.370 0.000 0.844 495 S CB 2.166 65.265 63.200 -0.169 0.000 1.127 495 S HN 0.766 nan 8.310 nan 0.000 0.474 496 V N 0.769 120.638 119.914 -0.074 0.000 2.925 496 V HA 0.768 4.890 4.120 0.003 0.000 0.311 496 V C -1.553 174.538 176.094 -0.005 0.000 1.104 496 V CA -0.723 61.533 62.300 -0.073 0.000 0.954 496 V CB 2.137 33.966 31.823 0.010 0.000 1.022 496 V HN 1.067 nan 8.190 nan 0.000 0.427 497 R N 3.537 123.982 120.500 -0.092 0.000 2.686 497 R HA 0.876 5.218 4.340 0.003 0.000 0.286 497 R C -0.973 175.421 176.300 0.158 0.000 0.969 497 R CA -0.402 55.724 56.100 0.044 0.000 0.898 497 R CB 2.234 32.499 30.300 -0.059 0.000 1.183 497 R HN 0.898 nan 8.270 nan 0.000 0.456 498 A N 1.225 124.165 122.820 0.199 0.000 2.356 498 A HA 0.947 5.269 4.320 0.003 0.000 0.323 498 A C -1.081 176.393 177.584 -0.183 0.000 1.119 498 A CA -0.361 51.694 52.037 0.030 0.000 0.790 498 A CB 1.777 20.645 19.000 -0.220 0.000 1.273 498 A HN 0.804 nan 8.150 nan 0.000 0.452 499 A N -0.203 122.351 122.820 -0.444 0.000 2.524 499 A HA 1.022 5.344 4.320 0.003 0.000 0.303 499 A C 0.279 177.606 177.584 -0.428 0.000 1.195 499 A CA 0.164 51.787 52.037 -0.689 0.000 0.651 499 A CB 0.353 18.391 19.000 -1.603 0.000 1.323 499 A HN 2.894 nan 8.150 nan 0.000 0.479 500 G N -2.019 106.541 108.800 -0.400 0.000 2.447 500 G HA2 0.202 4.164 3.960 0.003 0.000 0.220 500 G HA3 0.202 4.164 3.960 0.003 0.000 0.220 500 G C -0.887 173.871 174.900 -0.237 0.000 1.261 500 G CA -0.268 44.650 45.100 -0.302 0.000 1.000 500 G HN 1.337 nan 8.290 nan 0.000 0.515 501 Y N 0.801 121.075 120.300 -0.043 0.000 2.316 501 Y HA 0.515 5.066 4.550 0.003 0.000 0.331 501 Y C 1.674 177.608 175.900 0.057 0.000 1.083 501 Y CA -0.133 57.967 58.100 0.000 0.000 1.206 501 Y CB 0.856 39.306 38.460 -0.016 0.000 1.195 501 Y HN 0.641 nan 8.280 nan 0.000 0.497 502 I N 0.536 121.265 120.570 0.266 0.000 2.823 502 I HA 0.219 4.390 4.170 0.003 0.000 0.290 502 I C -0.041 176.206 176.117 0.215 0.000 1.091 502 I CA -0.816 60.627 61.300 0.238 0.000 1.365 502 I CB 0.848 38.975 38.000 0.211 0.000 1.427 502 I HN 0.586 nan 8.210 nan 0.000 0.583 503 Q N 4.149 124.068 119.800 0.197 0.000 2.472 503 Q HA 0.462 4.803 4.340 0.003 0.000 0.227 503 Q C -0.194 175.912 176.000 0.177 0.000 1.156 503 Q CA -0.487 55.401 55.803 0.142 0.000 0.924 503 Q CB 0.607 29.339 28.738 -0.010 0.000 1.354 503 Q HN 0.880 nan 8.270 nan 0.000 0.525 504 A N 2.687 125.623 122.820 0.194 0.000 2.275 504 A HA 0.844 5.165 4.320 0.003 0.000 0.282 504 A C 0.301 178.026 177.584 0.235 0.000 1.275 504 A CA 0.172 52.344 52.037 0.226 0.000 0.842 504 A CB 0.645 19.780 19.000 0.225 0.000 1.280 504 A HN 0.758 nan 8.150 nan 0.000 0.508 505 G N -2.786 106.172 108.800 0.264 0.000 2.660 505 G HA2 0.482 4.444 3.960 0.003 0.000 0.294 505 G HA3 0.482 4.444 3.960 0.003 0.000 0.294 505 G C -1.274 173.821 174.900 0.325 0.000 1.369 505 G CA -0.527 44.753 45.100 0.300 0.000 0.912 505 G HN 0.724 nan 8.290 nan 0.000 0.479 506 Y N 0.994 121.454 120.300 0.267 0.000 2.610 506 Y HA 0.257 4.809 4.550 0.003 0.000 0.332 506 Y C 0.307 176.376 175.900 0.283 0.000 1.201 506 Y CA -0.569 57.684 58.100 0.253 0.000 1.465 506 Y CB 0.686 39.268 38.460 0.202 0.000 1.283 506 Y HN 0.519 nan 8.280 nan 0.000 0.563 507 W N 9.707 130.709 121.300 -0.496 0.000 2.387 507 W HA 0.176 4.838 4.660 0.003 0.000 0.310 507 W C -1.057 175.355 176.519 -0.177 0.000 1.181 507 W CA -0.773 56.425 57.345 -0.245 0.000 1.333 507 W CB 0.553 29.878 29.460 -0.227 0.000 1.286 507 W HN 0.602 nan 8.180 nan 0.000 0.455 508 N N 8.680 127.156 118.700 -0.374 0.000 2.469 508 N HA 0.198 4.940 4.740 0.003 0.000 0.253 508 N C -1.591 173.499 175.510 -0.700 0.000 0.970 508 N CA -2.137 50.759 53.050 -0.257 0.000 0.940 508 N CB 1.736 40.198 38.487 -0.042 0.000 1.128 508 N HN 0.176 nan 8.380 nan 0.000 0.503 509 P HA -0.114 nan 4.420 nan 0.000 0.221 509 P C 0.543 177.666 177.300 -0.295 0.000 1.145 509 P CA 1.214 64.051 63.100 -0.438 0.000 0.795 509 P CB 0.563 32.279 31.700 0.026 0.000 0.775 510 E N -0.808 119.264 120.200 -0.213 0.000 2.152 510 E HA -0.068 4.284 4.350 0.003 0.000 0.192 510 E C 1.300 177.812 176.600 -0.147 0.000 0.983 510 E CA 1.755 58.075 56.400 -0.135 0.000 0.818 510 E CB -0.103 29.542 29.700 -0.091 0.000 0.758 510 E HN 0.407 nan 8.360 nan 0.000 0.467 511 T N -4.172 110.261 114.554 -0.202 0.000 3.041 511 T HA 0.187 4.539 4.350 0.003 0.000 0.276 511 T C 1.621 176.251 174.700 -0.116 0.000 0.948 511 T CA -0.297 61.729 62.100 -0.123 0.000 0.885 511 T CB 0.446 69.268 68.868 -0.076 0.000 1.175 511 T HN -0.162 nan 8.240 nan 0.000 0.529 512 S N 1.394 116.884 115.700 -0.351 0.000 2.496 512 S HA 0.380 4.852 4.470 0.003 0.000 0.224 512 S C 2.375 176.874 174.600 -0.168 0.000 0.996 512 S CA 0.553 58.577 58.200 -0.293 0.000 0.927 512 S CB -0.257 62.576 63.200 -0.611 0.000 0.774 512 S HN 0.707 nan 8.310 nan 0.000 0.524 513 A N 2.527 125.184 122.820 -0.272 0.000 1.972 513 A HA -0.006 4.316 4.320 0.003 0.000 0.219 513 A C -0.293 177.281 177.584 -0.017 0.000 1.169 513 A CA 1.147 53.191 52.037 0.011 0.000 0.635 513 A CB -1.701 17.338 19.000 0.064 0.000 0.810 513 A HN 0.381 nan 8.150 nan 0.000 0.446 514 P HA -0.049 nan 4.420 nan 0.000 0.234 514 P C -0.127 176.844 177.300 -0.548 0.000 1.167 514 P CA 0.929 63.765 63.100 -0.441 0.000 0.763 514 P CB -0.097 31.174 31.700 -0.715 0.000 0.835 515 Y N -1.814 118.519 120.300 0.055 0.000 2.588 515 Y HA 0.550 5.102 4.550 0.003 0.000 0.247 515 Y C 1.189 177.197 175.900 0.180 0.000 1.157 515 Y CA -0.187 57.990 58.100 0.128 0.000 1.215 515 Y CB 0.883 39.408 38.460 0.109 0.000 1.245 515 Y HN -0.156 nan 8.280 nan 0.000 0.534 516 G N -0.191 108.765 108.800 0.259 0.000 2.355 516 G HA2 0.404 4.366 3.960 0.003 0.000 0.296 516 G HA3 0.404 4.366 3.960 0.003 0.000 0.296 516 G C -1.885 173.180 174.900 0.275 0.000 1.507 516 G CA -1.090 44.165 45.100 0.258 0.000 0.823 516 G HN -0.025 nan 8.290 nan 0.000 0.569 517 L N 0.467 121.774 121.223 0.139 0.000 2.379 517 L HA 0.510 4.852 4.340 0.003 0.000 0.269 517 L C 0.833 177.612 176.870 -0.153 0.000 1.084 517 L CA -0.882 53.963 54.840 0.007 0.000 0.802 517 L CB 1.593 43.622 42.059 -0.050 0.000 1.175 517 L HN 0.542 nan 8.230 nan 0.000 0.448 518 K N 3.067 123.086 120.400 -0.634 0.000 2.338 518 K HA 0.179 4.501 4.320 0.003 0.000 0.290 518 K C 0.630 176.953 176.600 -0.463 0.000 1.069 518 K CA -0.078 55.639 56.287 -0.951 0.000 0.941 518 K CB 0.394 31.854 32.500 -1.733 0.000 1.023 518 K HN 0.668 nan 8.250 nan 0.000 0.477 519 I N 0.552 120.960 120.570 -0.270 0.000 4.154 519 I HA 0.276 4.448 4.170 0.003 0.000 0.334 519 I C 0.323 176.367 176.117 -0.121 0.000 1.371 519 I CA -0.529 60.684 61.300 -0.145 0.000 1.110 519 I CB 0.170 38.155 38.000 -0.025 0.000 1.085 519 I HN 0.521 nan 8.210 nan 0.000 0.398 520 H N 0.832 119.699 119.070 -0.340 0.000 2.918 520 H HA 0.172 4.730 4.556 0.003 0.000 0.303 520 H C -0.425 174.655 175.328 -0.413 0.000 1.380 520 H CA -0.260 55.505 56.048 -0.472 0.000 1.134 520 H CB 1.906 31.195 29.762 -0.789 0.000 1.842 520 H HN -0.087 nan 8.280 nan 0.000 0.533 521 D N 0.520 120.489 120.400 -0.717 0.000 2.149 521 D HA -0.128 4.514 4.640 0.003 0.000 0.194 521 D C 1.501 177.672 176.300 -0.214 0.000 1.001 521 D CA 2.384 56.138 54.000 -0.411 0.000 0.849 521 D CB 0.142 40.742 40.800 -0.332 0.000 0.939 521 D HN 0.258 nan 8.370 nan 0.000 0.449 522 V N -2.000 117.835 119.914 -0.132 0.000 2.925 522 V HA 0.441 4.563 4.120 0.003 0.000 0.361 522 V C -0.500 175.487 176.094 -0.179 0.000 1.361 522 V CA -0.796 61.398 62.300 -0.176 0.000 1.184 522 V CB 0.088 31.807 31.823 -0.174 0.000 1.245 522 V HN -0.045 nan 8.190 nan 0.000 0.575 523 L N 1.140 122.325 121.223 -0.063 0.000 2.362 523 L HA 0.833 5.175 4.340 0.003 0.000 0.275 523 L C -0.073 176.852 176.870 0.092 0.000 0.998 523 L CA -0.107 54.766 54.840 0.055 0.000 0.820 523 L CB 2.106 44.223 42.059 0.098 0.000 1.270 523 L HN 0.296 nan 8.230 nan 0.000 0.415 524 S N 2.303 118.150 115.700 0.246 0.000 2.489 524 S HA 0.539 5.011 4.470 0.003 0.000 0.291 524 S C 1.161 175.906 174.600 0.242 0.000 1.151 524 S CA -0.049 58.342 58.200 0.318 0.000 1.082 524 S CB 1.391 64.891 63.200 0.499 0.000 1.019 524 S HN 0.899 nan 8.310 nan 0.000 0.492 525 G N 2.341 111.256 108.800 0.191 0.000 2.559 525 G HA2 0.129 4.091 3.960 0.003 0.000 0.216 525 G HA3 0.129 4.091 3.960 0.003 0.000 0.216 525 G C 0.650 175.699 174.900 0.248 0.000 1.126 525 G CA 0.596 45.803 45.100 0.177 0.000 0.778 525 G HN 1.227 nan 8.290 nan 0.000 0.543 526 S N -2.046 113.836 115.700 0.303 0.000 3.460 526 S HA -0.187 4.285 4.470 0.003 0.000 0.637 526 S C -0.545 174.325 174.600 0.450 0.000 2.505 526 S CA 0.714 59.145 58.200 0.385 0.000 2.686 526 S CB -1.038 62.419 63.200 0.427 0.000 0.330 526 S HN 1.076 nan 8.310 nan 0.000 1.795 527 F N 2.950 123.069 119.950 0.282 0.000 2.605 527 F HA 0.586 5.115 4.527 0.003 0.000 0.320 527 F C -0.319 175.524 175.800 0.072 0.000 1.159 527 F CA -0.378 57.703 58.000 0.135 0.000 0.999 527 F CB 1.323 40.387 39.000 0.105 0.000 1.258 527 F HN 0.881 nan 8.300 nan 0.000 0.464 528 H N 2.537 121.382 119.070 -0.374 0.000 3.037 528 H HA 0.435 4.993 4.556 0.003 0.000 0.355 528 H C -2.084 172.910 175.328 -0.555 0.000 1.263 528 H CA -1.092 54.503 56.048 -0.756 0.000 1.129 528 H CB 1.892 30.825 29.762 -1.383 0.000 1.861 528 H HN 0.395 nan 8.280 nan 0.000 0.546 529 D N 1.103 121.197 120.400 -0.508 0.000 2.192 529 D HA 0.256 4.898 4.640 0.003 0.000 0.246 529 D C -0.213 175.945 176.300 -0.238 0.000 1.042 529 D CA -0.256 53.572 54.000 -0.287 0.000 0.847 529 D CB 1.193 41.874 40.800 -0.199 0.000 1.186 529 D HN 0.394 nan 8.370 nan 0.000 0.461 530 H N 0.534 119.622 119.070 0.030 0.000 2.467 530 H HA 0.499 5.056 4.556 0.003 0.000 0.326 530 H C -0.475 174.912 175.328 0.099 0.000 1.094 530 H CA -0.567 55.562 56.048 0.136 0.000 1.253 530 H CB 1.555 31.444 29.762 0.212 0.000 1.439 530 H HN 0.022 nan 8.280 nan 0.000 0.479 531 V N 4.652 124.726 119.914 0.267 0.000 2.760 531 V HA 0.288 4.410 4.120 0.003 0.000 0.309 531 V C -0.638 175.708 176.094 0.420 0.000 1.077 531 V CA -0.834 61.647 62.300 0.302 0.000 0.910 531 V CB 2.223 34.188 31.823 0.236 0.000 1.008 531 V HN 0.403 nan 8.190 nan 0.000 0.424 532 L N 3.482 124.915 121.223 0.350 0.000 2.365 532 L HA 0.570 4.911 4.340 0.003 0.000 0.273 532 L C -0.066 176.818 176.870 0.023 0.000 1.000 532 L CA -0.174 54.745 54.840 0.132 0.000 0.819 532 L CB 1.864 43.988 42.059 0.109 0.000 1.284 532 L HN 0.713 nan 8.230 nan 0.000 0.418 533 N N 1.523 119.936 118.700 -0.479 0.000 2.372 533 N HA 0.399 5.141 4.740 0.003 0.000 0.291 533 N C -1.788 173.485 175.510 -0.396 0.000 1.024 533 N CA -0.397 52.338 53.050 -0.524 0.000 0.873 533 N CB 1.241 38.899 38.487 -1.382 0.000 1.206 533 N HN 0.427 nan 8.380 nan 0.000 0.486 534 Y N 1.432 121.713 120.300 -0.032 0.000 2.364 534 Y HA 0.259 4.811 4.550 0.003 0.000 0.340 534 Y C 0.313 176.196 175.900 -0.027 0.000 0.975 534 Y CA -0.801 57.307 58.100 0.014 0.000 1.089 534 Y CB 1.509 40.064 38.460 0.158 0.000 1.192 534 Y HN 0.332 nan 8.280 nan 0.000 0.454 535 K N 3.008 123.416 120.400 0.014 0.000 2.316 535 K HA 0.493 4.815 4.320 0.003 0.000 0.289 535 K C -1.370 175.092 176.600 -0.229 0.000 1.070 535 K CA -0.216 55.870 56.287 -0.334 0.000 0.928 535 K CB 0.380 32.633 32.500 -0.411 0.000 1.039 535 K HN 0.543 nan 8.250 nan 0.000 0.480 536 V N 4.785 124.531 119.914 -0.280 0.000 2.276 536 V HA 0.042 4.164 4.120 0.003 0.000 0.268 536 V C -0.497 175.490 176.094 -0.178 0.000 1.032 536 V CA -0.813 61.399 62.300 -0.148 0.000 0.810 536 V CB 0.843 32.622 31.823 -0.073 0.000 1.060 536 V HN 0.749 nan 8.190 nan 0.000 0.446 537 D N 4.392 124.704 120.400 -0.148 0.000 2.619 537 D HA 0.222 4.864 4.640 0.003 0.000 0.224 537 D C 0.223 176.507 176.300 -0.027 0.000 1.133 537 D CA -0.057 53.901 54.000 -0.069 0.000 1.017 537 D CB 0.131 40.949 40.800 0.029 0.000 1.077 537 D HN 0.402 nan 8.370 nan 0.000 0.503 538 L N 1.993 123.187 121.223 -0.047 0.000 2.490 538 L HA 0.117 4.459 4.340 0.003 0.000 0.274 538 L C 0.272 177.135 176.870 -0.011 0.000 1.201 538 L CA 0.488 55.299 54.840 -0.049 0.000 0.869 538 L CB 0.561 42.590 42.059 -0.051 0.000 1.123 538 L HN 0.152 nan 8.230 nan 0.000 0.484 539 D N 2.655 123.054 120.400 -0.002 0.000 2.378 539 D HA 0.239 4.881 4.640 0.003 0.000 0.265 539 D C -0.796 175.533 176.300 0.049 0.000 1.229 539 D CA -0.146 53.873 54.000 0.031 0.000 0.914 539 D CB 1.544 42.377 40.800 0.055 0.000 1.140 539 D HN -0.010 nan 8.370 nan 0.000 0.516 540 V N 1.080 121.036 119.914 0.070 0.000 2.385 540 V HA 0.483 4.604 4.120 0.003 0.000 0.269 540 V C 1.358 177.569 176.094 0.195 0.000 1.043 540 V CA -0.340 62.050 62.300 0.150 0.000 0.906 540 V CB 1.000 32.937 31.823 0.190 0.000 0.995 540 V HN 0.779 nan 8.190 nan 0.000 0.467 541 G N 3.846 112.794 108.800 0.246 0.000 2.338 541 G HA2 0.216 4.178 3.960 0.003 0.000 0.296 541 G HA3 0.216 4.178 3.960 0.003 0.000 0.296 541 G C 0.652 175.608 174.900 0.094 0.000 1.040 541 G CA 0.326 45.513 45.100 0.143 0.000 1.004 541 G HN 2.201 nan 8.290 nan 0.000 0.509 542 G N -1.998 106.857 108.800 0.093 0.000 2.541 542 G HA2 0.332 4.294 3.960 0.003 0.000 0.686 542 G HA3 0.332 4.294 3.960 0.003 0.000 0.686 542 G C 0.874 175.805 174.900 0.051 0.000 1.286 542 G CA 0.648 45.786 45.100 0.064 0.000 0.894 542 G HN 1.887 nan 8.290 nan 0.000 0.575 543 T N -1.851 112.719 114.554 0.026 0.000 2.904 543 T HA 0.084 4.436 4.350 0.003 0.000 0.267 543 T C 1.246 175.955 174.700 0.016 0.000 1.059 543 T CA 1.794 63.895 62.100 0.001 0.000 1.137 543 T CB 0.036 68.880 68.868 -0.039 0.000 0.879 543 T HN 0.656 nan 8.240 nan 0.000 0.467 544 K N 2.190 122.605 120.400 0.025 0.000 2.338 544 K HA 0.224 4.546 4.320 0.003 0.000 0.290 544 K C -0.679 175.946 176.600 0.042 0.000 1.069 544 K CA -0.152 56.153 56.287 0.031 0.000 0.941 544 K CB 0.022 32.539 32.500 0.028 0.000 1.023 544 K HN 0.466 nan 8.250 nan 0.000 0.477 545 N N 2.706 121.434 118.700 0.045 0.000 2.761 545 N HA 0.506 5.248 4.740 0.003 0.000 0.283 545 N C -1.198 174.342 175.510 0.051 0.000 1.377 545 N CA -1.077 52.005 53.050 0.055 0.000 0.791 545 N CB 1.597 40.119 38.487 0.059 0.000 1.540 545 N HN 0.313 nan 8.380 nan 0.000 0.539 546 R N 0.050 120.582 120.500 0.054 0.000 2.837 546 R HA 0.722 5.064 4.340 0.003 0.000 0.271 546 R C -1.383 174.943 176.300 0.044 0.000 0.993 546 R CA -0.894 55.233 56.100 0.044 0.000 0.931 546 R CB 2.033 32.355 30.300 0.036 0.000 1.206 546 R HN 0.530 nan 8.270 nan 0.000 0.474 547 A N 1.002 123.842 122.820 0.033 0.000 2.330 547 A HA 0.670 4.992 4.320 0.003 0.000 0.327 547 A C -0.445 177.138 177.584 -0.001 0.000 1.155 547 A CA -0.495 51.557 52.037 0.025 0.000 0.803 547 A CB 1.238 20.256 19.000 0.031 0.000 1.208 547 A HN 0.759 nan 8.150 nan 0.000 0.477 548 S N 1.120 116.808 115.700 -0.020 0.000 2.651 548 S HA 0.858 5.330 4.470 0.003 0.000 0.279 548 S C -0.949 173.602 174.600 -0.081 0.000 1.148 548 S CA -0.819 57.337 58.200 -0.072 0.000 0.837 548 S CB 1.659 64.787 63.200 -0.120 0.000 1.138 548 S HN 1.046 nan 8.310 nan 0.000 0.478 549 K N -0.062 120.261 120.400 -0.128 0.000 2.464 549 K HA 0.543 4.865 4.320 0.003 0.000 0.253 549 K C -2.082 174.415 176.600 -0.171 0.000 0.933 549 K CA -0.869 55.370 56.287 -0.080 0.000 0.801 549 K CB 1.141 33.632 32.500 -0.014 0.000 1.271 549 K HN 0.604 nan 8.250 nan 0.000 0.430 550 Y N 1.454 121.736 120.300 -0.030 0.000 2.425 550 Y HA 0.222 4.774 4.550 0.003 0.000 0.347 550 Y C -0.126 175.785 175.900 0.017 0.000 0.976 550 Y CA -0.656 57.446 58.100 0.003 0.000 1.190 550 Y CB 1.496 39.965 38.460 0.016 0.000 1.136 550 Y HN 0.277 nan 8.280 nan 0.000 0.517 551 V N 6.024 126.000 119.914 0.104 0.000 2.498 551 V HA 0.244 4.366 4.120 0.003 0.000 0.279 551 V C 0.103 176.258 176.094 0.103 0.000 1.048 551 V CA -0.471 61.879 62.300 0.083 0.000 0.967 551 V CB 0.893 32.741 31.823 0.041 0.000 0.988 551 V HN 0.719 nan 8.190 nan 0.000 0.473 552 M N 6.563 126.216 119.600 0.089 0.000 2.294 552 M HA 0.597 5.079 4.480 0.003 0.000 0.335 552 M C -0.463 175.875 176.300 0.063 0.000 1.079 552 M CA -0.417 54.932 55.300 0.082 0.000 0.982 552 M CB 1.683 34.328 32.600 0.076 0.000 1.651 552 M HN 0.717 nan 8.290 nan 0.000 0.437 553 K N 1.131 121.566 120.400 0.058 0.000 2.532 553 K HA 0.499 4.821 4.320 0.003 0.000 0.265 553 K C -1.802 174.826 176.600 0.046 0.000 0.948 553 K CA -1.110 55.205 56.287 0.047 0.000 0.842 553 K CB 1.942 34.466 32.500 0.040 0.000 1.392 553 K HN 0.670 nan 8.250 nan 0.000 0.436 554 D N 1.132 121.556 120.400 0.040 0.000 2.264 554 D HA 0.389 5.031 4.640 0.003 0.000 0.249 554 D C -0.062 176.258 176.300 0.033 0.000 1.070 554 D CA -0.504 53.521 54.000 0.042 0.000 0.912 554 D CB 1.737 42.562 40.800 0.041 0.000 1.193 554 D HN 0.462 nan 8.370 nan 0.000 0.427 555 V N -2.188 117.746 119.914 0.033 0.000 3.120 555 V HA 0.476 4.598 4.120 0.003 0.000 0.303 555 V C -1.461 174.641 176.094 0.013 0.000 1.238 555 V CA -1.102 61.208 62.300 0.016 0.000 1.008 555 V CB 2.113 33.941 31.823 0.009 0.000 1.064 555 V HN 0.461 nan 8.190 nan 0.000 0.434 556 D N 1.989 122.385 120.400 -0.006 0.000 2.193 556 D HA 0.746 5.387 4.640 0.003 0.000 0.244 556 D C -0.081 176.181 176.300 -0.063 0.000 1.064 556 D CA 0.066 54.057 54.000 -0.014 0.000 0.845 556 D CB 1.979 42.770 40.800 -0.016 0.000 1.148 556 D HN 1.130 nan 8.370 nan 0.000 0.464 557 V N -0.716 119.132 119.914 -0.110 0.000 3.159 557 V HA 0.679 4.801 4.120 0.003 0.000 0.308 557 V C -0.762 175.149 176.094 -0.304 0.000 1.190 557 V CA -0.993 61.160 62.300 -0.245 0.000 1.037 557 V CB 2.443 34.018 31.823 -0.413 0.000 1.060 557 V HN 0.481 nan 8.190 nan 0.000 0.437 558 E N 0.713 120.694 120.200 -0.364 0.000 2.256 558 E HA 0.567 4.919 4.350 0.003 0.000 0.267 558 E C -1.962 174.297 176.600 -0.568 0.000 0.892 558 E CA -0.769 55.423 56.400 -0.346 0.000 0.775 558 E CB 2.307 31.907 29.700 -0.165 0.000 1.207 558 E HN 0.754 nan 8.360 nan 0.000 0.420 559 Y N 2.442 122.481 120.300 -0.436 0.000 2.420 559 Y HA 0.287 4.839 4.550 0.003 0.000 0.334 559 Y C -1.334 174.207 175.900 -0.599 0.000 1.094 559 Y CA -1.973 55.689 58.100 -0.731 0.000 1.126 559 Y CB 1.450 38.902 38.460 -1.680 0.000 1.217 559 Y HN 0.508 nan 8.280 nan 0.000 0.462 560 P HA -0.191 nan 4.420 nan 0.000 0.218 560 P C 0.941 178.234 177.300 -0.013 0.000 1.148 560 P CA 1.836 64.881 63.100 -0.091 0.000 0.822 560 P CB 0.012 31.716 31.700 0.007 0.000 0.784 561 W N -0.620 120.737 121.300 0.094 0.000 3.180 561 W HA 0.552 5.214 4.660 0.003 0.000 0.254 561 W C -0.222 176.347 176.519 0.084 0.000 1.318 561 W CA 0.118 57.498 57.345 0.058 0.000 1.608 561 W CB -0.352 29.110 29.460 0.004 0.000 1.124 561 W HN -0.071 nan 8.180 nan 0.000 0.694 562 A N 1.619 124.470 122.820 0.052 0.000 3.300 562 A HA 0.478 4.800 4.320 0.003 0.000 0.300 562 A C -2.820 174.789 177.584 0.041 0.000 1.099 562 A CA -1.046 51.080 52.037 0.149 0.000 0.846 562 A CB 0.054 19.236 19.000 0.304 0.000 1.255 562 A HN -0.237 nan 8.150 nan 0.000 0.519 563 P HA 0.305 nan 4.420 nan 0.000 0.265 563 P C 1.286 178.593 177.300 0.011 0.000 1.193 563 P CA 2.204 65.306 63.100 0.004 0.000 0.765 563 P CB 0.863 32.573 31.700 0.017 0.000 0.823 564 G N 1.811 110.605 108.800 -0.010 0.000 2.205 564 G HA2 -0.231 3.731 3.960 0.003 0.000 0.261 564 G HA3 -0.231 3.731 3.960 0.003 0.000 0.261 564 G C 0.245 175.140 174.900 -0.009 0.000 0.980 564 G CA 0.225 45.319 45.100 -0.009 0.000 0.632 564 G HN 0.597 nan 8.290 nan 0.000 0.533 565 T N 1.713 116.274 114.554 0.012 0.000 2.738 565 T HA 0.528 4.880 4.350 0.003 0.000 0.298 565 T C 0.452 175.152 174.700 -0.000 0.000 0.962 565 T CA -0.276 61.824 62.100 -0.000 0.000 0.972 565 T CB 2.076 70.975 68.868 0.053 0.000 0.928 565 T HN 0.377 nan 8.240 nan 0.000 0.474 566 V N 4.827 124.702 119.914 -0.064 0.000 2.583 566 V HA 0.297 4.418 4.120 0.003 0.000 0.287 566 V C -0.633 175.404 176.094 -0.095 0.000 1.051 566 V CA -0.437 61.837 62.300 -0.044 0.000 1.010 566 V CB 0.133 31.925 31.823 -0.051 0.000 0.988 566 V HN 0.726 nan 8.190 nan 0.000 0.478 567 Y N 2.684 122.960 120.300 -0.040 0.000 2.393 567 Y HA 0.340 4.892 4.550 0.003 0.000 0.341 567 Y C 0.532 176.436 175.900 0.007 0.000 0.988 567 Y CA -0.695 57.426 58.100 0.036 0.000 1.078 567 Y CB 1.488 40.047 38.460 0.164 0.000 1.203 567 Y HN 0.607 nan 8.280 nan 0.000 0.453 568 N N 2.173 120.970 118.700 0.161 0.000 2.420 568 N HA 0.245 4.987 4.740 0.003 0.000 0.249 568 N C -0.721 174.883 175.510 0.157 0.000 1.033 568 N CA 0.282 53.398 53.050 0.111 0.000 0.944 568 N CB 0.899 39.425 38.487 0.065 0.000 1.113 568 N HN 0.787 nan 8.380 nan 0.000 0.502 569 T N 1.605 116.241 114.554 0.135 0.000 2.573 569 T HA 0.485 4.837 4.350 0.003 0.000 0.259 569 T C -1.485 173.272 174.700 0.096 0.000 0.886 569 T CA -0.511 61.676 62.100 0.144 0.000 1.110 569 T CB 1.006 69.995 68.868 0.203 0.000 1.421 569 T HN 0.615 nan 8.240 nan 0.000 0.523 570 K N 0.685 121.141 120.400 0.094 0.000 2.477 570 K HA 0.752 5.074 4.320 0.003 0.000 0.255 570 K C -1.276 175.370 176.600 0.077 0.000 0.952 570 K CA -0.968 55.364 56.287 0.074 0.000 0.826 570 K CB 2.311 34.851 32.500 0.066 0.000 1.331 570 K HN 0.576 nan 8.250 nan 0.000 0.437 571 Q N 1.070 120.912 119.800 0.070 0.000 2.495 571 Q HA 0.533 4.875 4.340 0.003 0.000 0.287 571 Q C -0.927 175.127 176.000 0.090 0.000 1.078 571 Q CA -1.183 54.666 55.803 0.078 0.000 0.793 571 Q CB 2.688 31.466 28.738 0.067 0.000 1.459 571 Q HN 0.749 nan 8.270 nan 0.000 0.422 572 I N -1.915 118.724 120.570 0.115 0.000 2.648 572 I HA 0.956 5.128 4.170 0.003 0.000 0.304 572 I C -0.934 175.285 176.117 0.169 0.000 1.009 572 I CA -0.956 60.445 61.300 0.168 0.000 1.114 572 I CB 2.054 40.192 38.000 0.230 0.000 1.293 572 I HN 0.520 nan 8.210 nan 0.000 0.449 573 A N 4.306 127.218 122.820 0.153 0.000 2.408 573 A HA 0.610 4.932 4.320 0.003 0.000 0.295 573 A C -0.656 176.905 177.584 -0.039 0.000 1.040 573 A CA -0.752 51.328 52.037 0.072 0.000 0.707 573 A CB 1.355 20.375 19.000 0.035 0.000 1.235 573 A HN 0.861 nan 8.150 nan 0.000 0.418 574 R N 2.152 122.545 120.500 -0.179 0.000 2.298 574 R HA 0.390 4.732 4.340 0.003 0.000 0.310 574 R C -0.852 175.301 176.300 -0.245 0.000 1.068 574 R CA 0.167 55.969 56.100 -0.496 0.000 0.957 574 R CB 0.492 30.417 30.300 -0.625 0.000 1.003 574 R HN 0.759 nan 8.270 nan 0.000 0.454 575 E N 3.484 123.551 120.200 -0.221 0.000 2.199 575 E HA 0.209 4.561 4.350 0.003 0.000 0.265 575 E C -0.968 175.567 176.600 -0.109 0.000 0.882 575 E CA -0.930 55.399 56.400 -0.118 0.000 0.759 575 E CB 2.538 32.194 29.700 -0.074 0.000 1.148 575 E HN 0.307 nan 8.360 nan 0.000 0.412 576 V N 4.242 124.112 119.914 -0.073 0.000 2.530 576 V HA 0.120 4.241 4.120 0.003 0.000 0.282 576 V C 0.171 176.249 176.094 -0.026 0.000 1.048 576 V CA -0.444 61.827 62.300 -0.047 0.000 0.997 576 V CB 0.615 32.422 31.823 -0.027 0.000 0.987 576 V HN 0.576 nan 8.190 nan 0.000 0.477 577 L N 5.262 126.475 121.223 -0.016 0.000 2.363 577 L HA 0.263 4.605 4.340 0.003 0.000 0.286 577 L C 1.423 178.301 176.870 0.013 0.000 1.106 577 L CA 0.001 54.840 54.840 -0.001 0.000 0.859 577 L CB 0.392 42.453 42.059 0.002 0.000 1.223 577 L HN 0.661 nan 8.230 nan 0.000 0.446 578 E N 2.012 122.220 120.200 0.014 0.000 2.158 578 E HA 0.003 4.355 4.350 0.003 0.000 0.191 578 E C 0.048 176.666 176.600 0.030 0.000 0.982 578 E CA 0.933 57.344 56.400 0.019 0.000 0.823 578 E CB 0.310 30.019 29.700 0.015 0.000 0.766 578 E HN 0.446 nan 8.360 nan 0.000 0.468 579 K N 0.125 120.547 120.400 0.037 0.000 2.512 579 K HA 0.252 4.574 4.320 0.003 0.000 0.263 579 K C -0.882 175.756 176.600 0.064 0.000 0.966 579 K CA -0.514 55.802 56.287 0.048 0.000 0.851 579 K CB 2.050 34.577 32.500 0.043 0.000 1.395 579 K HN -0.171 nan 8.250 nan 0.000 0.440 580 E N 1.267 121.514 120.200 0.079 0.000 2.452 580 E HA -0.056 4.296 4.350 0.003 0.000 0.261 580 E C -0.700 175.969 176.600 0.114 0.000 0.987 580 E CA 0.541 57.005 56.400 0.106 0.000 0.926 580 E CB 0.403 30.168 29.700 0.107 0.000 0.934 580 E HN 0.287 nan 8.360 nan 0.000 0.452 581 D N 2.770 123.250 120.400 0.134 0.000 2.408 581 D HA 0.041 4.683 4.640 0.003 0.000 0.243 581 D C -0.059 176.369 176.300 0.213 0.000 1.075 581 D CA -0.616 53.469 54.000 0.141 0.000 0.832 581 D CB 0.696 41.543 40.800 0.078 0.000 1.162 581 D HN 0.341 nan 8.370 nan 0.000 0.515 582 F N 4.349 124.359 119.950 0.099 0.000 2.202 582 F HA -0.174 4.355 4.527 0.003 0.000 0.301 582 F C 1.431 177.356 175.800 0.208 0.000 1.082 582 F CA 1.326 59.405 58.000 0.131 0.000 1.313 582 F CB 0.170 39.205 39.000 0.060 0.000 1.024 582 F HN 0.348 nan 8.300 nan 0.000 0.495 583 N N 0.772 119.598 118.700 0.210 0.000 2.494 583 N HA 0.097 4.839 4.740 0.003 0.000 0.182 583 N C 1.246 176.665 175.510 -0.153 0.000 1.076 583 N CA 0.988 54.075 53.050 0.062 0.000 0.908 583 N CB -0.511 38.013 38.487 0.062 0.000 0.967 583 N HN 0.495 nan 8.380 nan 0.000 0.449 584 G N 0.985 109.676 108.800 -0.182 0.000 2.645 584 G HA2 -0.282 3.679 3.960 0.003 0.000 0.246 584 G HA3 -0.282 3.679 3.960 0.003 0.000 0.246 584 G C -0.507 174.111 174.900 -0.469 0.000 1.322 584 G CA -0.306 44.381 45.100 -0.688 0.000 0.898 584 G HN 0.198 nan 8.290 nan 0.000 0.573 585 I N 1.117 121.336 120.570 -0.586 0.000 2.465 585 I HA 0.366 4.538 4.170 0.003 0.000 0.291 585 I C -0.563 175.231 176.117 -0.537 0.000 1.014 585 I CA -0.912 60.118 61.300 -0.450 0.000 1.093 585 I CB 2.110 39.854 38.000 -0.427 0.000 1.267 585 I HN 0.413 nan 8.210 nan 0.000 0.431 586 N N 4.442 122.919 118.700 -0.371 0.000 2.361 586 N HA 0.333 5.075 4.740 0.003 0.000 0.302 586 N C -1.198 174.178 175.510 -0.224 0.000 1.074 586 N CA -0.546 52.319 53.050 -0.310 0.000 0.850 586 N CB 1.503 39.938 38.487 -0.086 0.000 1.228 586 N HN 0.405 nan 8.380 nan 0.000 0.491 587 W N 2.274 123.573 121.300 -0.002 0.000 2.193 587 W HA 0.143 4.805 4.660 0.003 0.000 0.338 587 W C -1.222 175.298 176.519 0.001 0.000 1.310 587 W CA -0.967 56.374 57.345 -0.007 0.000 1.243 587 W CB -0.136 29.320 29.460 -0.007 0.000 1.165 587 W HN 0.277 nan 8.180 nan 0.000 0.566 588 P HA -0.036 nan 4.420 nan 0.000 0.271 588 P C -0.504 176.869 177.300 0.122 0.000 1.218 588 P CA -0.179 63.010 63.100 0.148 0.000 0.780 588 P CB 0.761 32.538 31.700 0.128 0.000 0.901 589 E N 2.262 122.513 120.200 0.085 0.000 2.452 589 E HA -0.141 4.211 4.350 0.003 0.000 0.261 589 E C 0.589 177.222 176.600 0.055 0.000 0.987 589 E CA 0.055 56.494 56.400 0.065 0.000 0.926 589 E CB -0.165 29.564 29.700 0.049 0.000 0.934 589 E HN 0.480 nan 8.360 nan 0.000 0.452 590 N N 3.013 121.739 118.700 0.043 0.000 2.708 590 N HA -0.236 4.506 4.740 0.003 0.000 0.251 590 N C 0.411 175.938 175.510 0.028 0.000 1.123 590 N CA 1.857 54.925 53.050 0.030 0.000 0.739 590 N CB -1.368 37.136 38.487 0.028 0.000 1.113 590 N HN 0.907 nan 8.380 nan 0.000 0.561 591 G N -0.850 107.972 108.800 0.038 0.000 2.225 591 G HA2 -0.364 3.598 3.960 0.003 0.000 0.267 591 G HA3 -0.364 3.598 3.960 0.003 0.000 0.267 591 G C 0.010 174.934 174.900 0.041 0.000 1.024 591 G CA 0.540 45.656 45.100 0.028 0.000 0.784 591 G HN 0.659 nan 8.290 nan 0.000 0.507 592 Q N 0.111 119.945 119.800 0.057 0.000 3.170 592 Q HA 0.474 4.816 4.340 0.003 0.000 0.346 592 Q C 0.846 176.892 176.000 0.076 0.000 1.333 592 Q CA 0.416 56.255 55.803 0.059 0.000 0.958 592 Q CB 0.282 29.052 28.738 0.054 0.000 1.600 592 Q HN 0.791 nan 8.270 nan 0.000 0.482 593 G N 0.344 109.194 108.800 0.083 0.000 2.616 593 G HA2 0.491 4.453 3.960 0.003 0.000 0.294 593 G HA3 0.491 4.453 3.960 0.003 0.000 0.294 593 G C -1.567 173.390 174.900 0.095 0.000 1.489 593 G CA -0.677 44.485 45.100 0.103 0.000 0.836 593 G HN 0.211 nan 8.290 nan 0.000 0.527 594 I N 0.919 121.549 120.570 0.099 0.000 2.466 594 I HA 0.380 4.552 4.170 0.003 0.000 0.289 594 I C -0.853 175.289 176.117 0.042 0.000 1.026 594 I CA -0.859 60.464 61.300 0.038 0.000 1.078 594 I CB 2.070 40.054 38.000 -0.027 0.000 1.249 594 I HN 0.397 nan 8.210 nan 0.000 0.429 595 L N 8.242 129.503 121.223 0.064 0.000 2.282 595 L HA 0.613 4.955 4.340 0.003 0.000 0.288 595 L C -1.225 175.644 176.870 -0.001 0.000 1.033 595 L CA 0.033 54.919 54.840 0.076 0.000 0.807 595 L CB 0.888 43.075 42.059 0.212 0.000 1.209 595 L HN 0.436 nan 8.230 nan 0.000 0.423 596 L N 5.659 126.865 121.223 -0.028 0.000 2.362 596 L HA 0.559 4.900 4.340 0.003 0.000 0.271 596 L C -0.851 176.038 176.870 0.032 0.000 1.002 596 L CA -0.896 53.923 54.840 -0.034 0.000 0.818 596 L CB 2.128 44.141 42.059 -0.078 0.000 1.298 596 L HN 0.422 nan 8.230 nan 0.000 0.420 597 I N 2.077 122.691 120.570 0.074 0.000 2.339 597 I HA 0.353 4.524 4.170 0.003 0.000 0.290 597 I C -0.002 176.186 176.117 0.119 0.000 0.994 597 I CA -0.324 61.026 61.300 0.084 0.000 1.191 597 I CB 1.439 39.487 38.000 0.080 0.000 1.343 597 I HN 0.659 nan 8.210 nan 0.000 0.458 598 E N 3.077 123.340 120.200 0.105 0.000 2.207 598 E HA 0.307 4.659 4.350 0.003 0.000 0.270 598 E C -0.426 176.244 176.600 0.116 0.000 0.927 598 E CA -0.677 55.800 56.400 0.130 0.000 0.799 598 E CB 2.122 31.888 29.700 0.110 0.000 1.172 598 E HN 0.494 nan 8.360 nan 0.000 0.404 599 S N 1.024 116.803 115.700 0.131 0.000 2.549 599 S HA 0.124 4.596 4.470 0.003 0.000 0.286 599 S C 0.982 175.627 174.600 0.075 0.000 1.314 599 S CA 0.207 58.467 58.200 0.100 0.000 1.062 599 S CB 0.868 64.124 63.200 0.095 0.000 0.865 599 S HN 0.632 nan 8.310 nan 0.000 0.498 600 A N 4.322 127.178 122.820 0.060 0.000 1.969 600 A HA 0.026 4.348 4.320 0.003 0.000 0.218 600 A C 1.890 179.499 177.584 0.042 0.000 1.169 600 A CA 1.046 53.112 52.037 0.048 0.000 0.635 600 A CB -0.256 18.768 19.000 0.040 0.000 0.810 600 A HN 0.843 nan 8.150 nan 0.000 0.445 601 E N -0.311 119.912 120.200 0.039 0.000 2.421 601 E HA 0.107 4.459 4.350 0.003 0.000 0.209 601 E C -0.071 176.543 176.600 0.024 0.000 0.871 601 E CA 0.056 56.473 56.400 0.029 0.000 1.064 601 E CB 0.086 29.800 29.700 0.023 0.000 1.075 601 E HN 0.705 nan 8.360 nan 0.000 0.513 602 E N 1.749 121.964 120.200 0.026 0.000 2.283 602 E HA 0.270 4.622 4.350 0.003 0.000 0.278 602 E C -0.071 176.534 176.600 0.009 0.000 1.027 602 E CA -0.022 56.382 56.400 0.007 0.000 0.843 602 E CB 1.153 30.850 29.700 -0.005 0.000 1.062 602 E HN 0.008 nan 8.360 nan 0.000 0.401 603 T N -0.294 114.253 114.554 -0.011 0.000 2.901 603 T HA 0.342 4.694 4.350 0.003 0.000 0.293 603 T C -0.012 174.658 174.700 -0.051 0.000 1.084 603 T CA -1.215 60.881 62.100 -0.006 0.000 1.008 603 T CB 1.297 70.169 68.868 0.007 0.000 1.170 603 T HN 0.492 nan 8.240 nan 0.000 0.509 604 N N 0.212 118.884 118.700 -0.047 0.000 2.381 604 N HA 0.227 4.969 4.740 0.003 0.000 0.289 604 N C 0.935 176.313 175.510 -0.219 0.000 1.288 604 N CA -0.587 52.398 53.050 -0.110 0.000 0.960 604 N CB -0.487 37.969 38.487 -0.052 0.000 1.116 604 N HN 0.499 nan 8.380 nan 0.000 0.557 605 S N -1.563 113.847 115.700 -0.484 0.000 2.515 605 S HA 0.131 4.603 4.470 0.003 0.000 0.231 605 S C 0.424 174.563 174.600 -0.769 0.000 0.987 605 S CA 0.377 58.145 58.200 -0.719 0.000 0.936 605 S CB -0.669 61.927 63.200 -1.006 0.000 0.766 605 S HN 0.518 nan 8.310 nan 0.000 0.528 606 F N 0.405 120.359 119.950 0.006 0.000 2.647 606 F HA 0.398 4.927 4.527 0.003 0.000 0.300 606 F C 1.627 177.438 175.800 0.018 0.000 1.106 606 F CA -0.156 57.849 58.000 0.008 0.000 1.313 606 F CB 0.191 39.189 39.000 -0.002 0.000 1.007 606 F HN 0.210 nan 8.300 nan 0.000 0.536 607 G N 0.322 109.171 108.800 0.081 0.000 2.176 607 G HA2 -0.268 3.694 3.960 0.003 0.000 0.253 607 G HA3 -0.268 3.694 3.960 0.003 0.000 0.253 607 G C -0.067 174.890 174.900 0.094 0.000 0.979 607 G CA -0.459 44.686 45.100 0.075 0.000 0.641 607 G HN 0.311 nan 8.290 nan 0.000 0.530 608 N N 1.610 120.378 118.700 0.114 0.000 2.479 608 N HA 0.436 5.178 4.740 0.003 0.000 0.285 608 N C -2.745 172.838 175.510 0.121 0.000 1.075 608 N CA -1.270 51.864 53.050 0.139 0.000 0.967 608 N CB 1.379 39.960 38.487 0.156 0.000 1.137 608 N HN 0.037 nan 8.380 nan 0.000 0.472 609 P HA 0.026 nan 4.420 nan 0.000 0.265 609 P C -0.089 177.302 177.300 0.152 0.000 1.193 609 P CA 0.228 63.404 63.100 0.126 0.000 0.765 609 P CB 0.561 32.344 31.700 0.139 0.000 0.823 610 R N 2.175 122.742 120.500 0.111 0.000 2.522 610 R HA 0.480 4.822 4.340 0.003 0.000 0.284 610 R C 0.209 176.669 176.300 0.266 0.000 1.032 610 R CA 0.222 56.406 56.100 0.139 0.000 1.049 610 R CB 0.219 30.535 30.300 0.026 0.000 0.956 610 R HN 0.496 nan 8.270 nan 0.000 0.422 611 A N 2.974 126.003 122.820 0.347 0.000 2.594 611 A HA 0.597 4.918 4.320 0.003 0.000 0.291 611 A C -1.883 175.888 177.584 0.312 0.000 1.105 611 A CA -0.643 51.593 52.037 0.333 0.000 0.694 611 A CB 1.272 20.447 19.000 0.292 0.000 1.291 611 A HN 0.590 nan 8.150 nan 0.000 0.410 612 Y N 0.667 121.021 120.300 0.089 0.000 2.409 612 Y HA 0.431 4.983 4.550 0.003 0.000 0.343 612 Y C 0.394 176.307 175.900 0.022 0.000 0.973 612 Y CA -0.391 57.726 58.100 0.028 0.000 1.064 612 Y CB 2.079 40.507 38.460 -0.054 0.000 1.207 612 Y HN 0.797 nan 8.280 nan 0.000 0.452 613 N N 4.285 123.030 118.700 0.074 0.000 2.426 613 N HA 0.360 5.102 4.740 0.003 0.000 0.275 613 N C -1.164 174.389 175.510 0.072 0.000 1.019 613 N CA -0.337 52.716 53.050 0.004 0.000 0.941 613 N CB 0.640 39.109 38.487 -0.030 0.000 1.123 613 N HN 0.608 nan 8.380 nan 0.000 0.486 614 I N 4.152 124.772 120.570 0.084 0.000 2.308 614 I HA 0.137 4.309 4.170 0.003 0.000 0.293 614 I C 0.129 176.261 176.117 0.026 0.000 1.078 614 I CA 0.058 61.426 61.300 0.114 0.000 1.292 614 I CB 0.631 38.726 38.000 0.158 0.000 1.423 614 I HN 0.481 nan 8.210 nan 0.000 0.493 615 M N 9.254 128.827 119.600 -0.046 0.000 2.101 615 M HA 0.370 4.852 4.480 0.003 0.000 0.340 615 M C -2.332 173.782 176.300 -0.311 0.000 1.057 615 M CA -1.793 53.381 55.300 -0.210 0.000 0.984 615 M CB 1.668 34.190 32.600 -0.131 0.000 1.560 615 M HN 0.197 nan 8.290 nan 0.000 0.435 616 P HA 0.186 nan 4.420 nan 0.000 0.271 616 P C -0.446 176.626 177.300 -0.380 0.000 1.218 616 P CA 0.007 62.705 63.100 -0.669 0.000 0.780 616 P CB 1.152 31.975 31.700 -1.461 0.000 0.901 617 G N 1.327 109.983 108.800 -0.240 0.000 3.135 617 G HA2 0.589 4.550 3.960 0.003 0.000 0.159 617 G HA3 0.589 4.550 3.960 0.003 0.000 0.159 617 G C -0.015 174.769 174.900 -0.194 0.000 1.244 617 G CA -0.604 44.375 45.100 -0.202 0.000 0.965 617 G HN 0.586 nan 8.290 nan 0.000 0.599 618 G N -2.075 106.606 108.800 -0.199 0.000 2.606 618 G HA2 0.503 4.465 3.960 0.003 0.000 0.252 618 G HA3 0.503 4.465 3.960 0.003 0.000 0.252 618 G C 1.078 175.883 174.900 -0.159 0.000 1.206 618 G CA 0.750 45.749 45.100 -0.169 0.000 0.861 618 G HN 1.953 nan 8.290 nan 0.000 0.561 619 G N -1.167 107.573 108.800 -0.100 0.000 2.160 619 G HA2 0.068 4.030 3.960 0.003 0.000 0.244 619 G HA3 0.068 4.030 3.960 0.003 0.000 0.244 619 G C 0.775 175.679 174.900 0.007 0.000 1.022 619 G CA 0.557 45.616 45.100 -0.068 0.000 0.741 619 G HN 1.642 nan 8.290 nan 0.000 0.508 620 G N -0.148 108.673 108.800 0.034 0.000 3.458 620 G HA2 0.634 4.596 3.960 0.003 0.000 0.256 620 G HA3 0.634 4.596 3.960 0.003 0.000 0.256 620 G C 0.354 175.368 174.900 0.190 0.000 0.938 620 G CA 0.466 45.685 45.100 0.198 0.000 1.890 620 G HN 1.710 nan 8.290 nan 0.000 0.639 621 V N -0.969 118.986 119.914 0.068 0.000 3.040 621 V HA 0.928 5.050 4.120 0.003 0.000 0.312 621 V C -0.555 175.527 176.094 -0.019 0.000 1.115 621 V CA -1.337 60.923 62.300 -0.067 0.000 0.998 621 V CB 1.676 33.335 31.823 -0.274 0.000 1.042 621 V HN 0.640 nan 8.190 nan 0.000 0.433 622 H N 0.490 119.604 119.070 0.073 0.000 2.869 622 H HA 0.746 5.304 4.556 0.003 0.000 0.342 622 H C -0.134 175.242 175.328 0.081 0.000 1.250 622 H CA -1.190 54.890 56.048 0.054 0.000 1.217 622 H CB 0.707 30.480 29.762 0.018 0.000 1.917 622 H HN 0.716 nan 8.280 nan 0.000 0.586 623 R N 0.124 120.766 120.500 0.236 0.000 2.583 623 R HA 0.018 4.360 4.340 0.003 0.000 0.274 623 R C 0.689 177.093 176.300 0.172 0.000 0.998 623 R CA 0.474 56.641 56.100 0.111 0.000 1.081 623 R CB 0.233 30.518 30.300 -0.024 0.000 0.940 623 R HN 0.610 nan 8.270 nan 0.000 0.413 624 I N 1.907 122.490 120.570 0.021 0.000 2.277 624 I HA -0.125 4.047 4.170 0.003 0.000 0.243 624 I C 0.670 176.771 176.117 -0.027 0.000 1.094 624 I CA 0.748 62.027 61.300 -0.035 0.000 1.393 624 I CB 0.024 37.930 38.000 -0.156 0.000 1.078 624 I HN 0.291 nan 8.210 nan 0.000 0.417 625 V N 2.669 122.535 119.914 -0.081 0.000 2.740 625 V HA -0.028 4.094 4.120 0.003 0.000 0.303 625 V C 1.096 177.169 176.094 -0.036 0.000 1.054 625 V CA 0.311 62.569 62.300 -0.070 0.000 1.106 625 V CB 0.991 32.740 31.823 -0.123 0.000 0.957 625 V HN 0.279 nan 8.190 nan 0.000 0.486 626 K N 2.593 122.983 120.400 -0.016 0.000 2.329 626 K HA 0.197 4.519 4.320 0.003 0.000 0.198 626 K C 0.225 176.826 176.600 0.000 0.000 1.085 626 K CA 0.545 56.828 56.287 -0.006 0.000 0.961 626 K CB 0.156 32.659 32.500 0.006 0.000 0.971 626 K HN 0.651 nan 8.250 nan 0.000 0.502 627 N N 0.939 119.642 118.700 0.004 0.000 2.762 627 N HA 0.088 4.830 4.740 0.003 0.000 0.252 627 N C -1.475 174.044 175.510 0.016 0.000 1.269 627 N CA -0.117 52.940 53.050 0.012 0.000 0.799 627 N CB 1.609 40.105 38.487 0.016 0.000 1.173 627 N HN -0.116 nan 8.380 nan 0.000 0.516 628 S N 0.706 116.427 115.700 0.034 0.000 2.499 628 S HA 0.278 4.750 4.470 0.003 0.000 0.279 628 S C 1.234 175.848 174.600 0.024 0.000 1.219 628 S CA -0.536 57.698 58.200 0.057 0.000 1.062 628 S CB 0.880 64.201 63.200 0.202 0.000 0.978 628 S HN 0.465 nan 8.310 nan 0.000 0.489 629 R N 2.579 123.094 120.500 0.025 0.000 2.237 629 R HA 0.034 4.376 4.340 0.003 0.000 0.219 629 R C 1.322 177.617 176.300 -0.009 0.000 1.080 629 R CA 1.005 57.120 56.100 0.024 0.000 0.995 629 R CB -0.058 30.277 30.300 0.058 0.000 0.875 629 R HN 0.493 nan 8.270 nan 0.000 0.462 630 S N -0.875 114.843 115.700 0.030 0.000 2.556 630 S HA 0.156 4.628 4.470 0.003 0.000 0.216 630 S C 0.599 175.078 174.600 -0.201 0.000 0.970 630 S CA 0.299 58.501 58.200 0.003 0.000 0.912 630 S CB 1.489 64.764 63.200 0.124 0.000 0.790 630 S HN 0.468 nan 8.310 nan 0.000 0.504 631 G N 2.033 110.679 108.800 -0.257 0.000 4.485 631 G HA2 0.359 4.321 3.960 0.003 0.000 0.238 631 G HA3 0.359 4.321 3.960 0.003 0.000 0.238 631 G C -2.590 172.105 174.900 -0.342 0.000 1.216 631 G CA -0.611 44.145 45.100 -0.573 0.000 0.611 631 G HN 0.044 nan 8.290 nan 0.000 0.422 632 P HA -0.013 nan 4.420 nan 0.000 0.215 632 P C 1.047 178.213 177.300 -0.222 0.000 1.157 632 P CA 1.259 64.187 63.100 -0.286 0.000 0.863 632 P CB 0.529 31.919 31.700 -0.517 0.000 0.787 633 E N -2.452 117.584 120.200 -0.273 0.000 2.715 633 E HA 0.077 4.429 4.350 0.003 0.000 0.224 633 E C 1.088 177.575 176.600 -0.189 0.000 0.962 633 E CA 0.458 56.753 56.400 -0.175 0.000 1.145 633 E CB -0.265 29.372 29.700 -0.104 0.000 1.083 633 E HN 0.308 nan 8.360 nan 0.000 0.506 634 T N -1.242 113.155 114.554 -0.262 0.000 3.081 634 T HA 0.061 4.413 4.350 0.003 0.000 0.255 634 T C 1.035 175.621 174.700 -0.189 0.000 1.113 634 T CA 0.391 62.355 62.100 -0.227 0.000 1.082 634 T CB 0.200 68.888 68.868 -0.300 0.000 0.939 634 T HN -0.152 nan 8.240 nan 0.000 0.506 635 Q N 0.624 120.253 119.800 -0.285 0.000 2.409 635 Q HA 0.318 4.659 4.340 0.003 0.000 0.345 635 Q C -0.112 175.460 176.000 -0.713 0.000 0.847 635 Q CA -0.264 55.290 55.803 -0.414 0.000 1.092 635 Q CB 0.423 28.916 28.738 -0.409 0.000 1.377 635 Q HN 0.293 nan 8.270 nan 0.000 0.399 636 N N 0.505 118.955 118.700 -0.416 0.000 2.520 636 N HA -0.083 4.659 4.740 0.003 0.000 0.185 636 N C 1.338 176.559 175.510 -0.482 0.000 1.068 636 N CA 0.618 53.455 53.050 -0.354 0.000 0.911 636 N CB 0.112 38.499 38.487 -0.166 0.000 0.961 636 N HN 0.584 nan 8.380 nan 0.000 0.446 637 W N -0.078 120.845 121.300 -0.629 0.000 2.699 637 W HA 0.268 4.930 4.660 0.003 0.000 0.249 637 W C 0.906 177.233 176.519 -0.321 0.000 1.280 637 W CA 0.239 56.929 57.345 -1.092 0.000 1.345 637 W CB -0.579 27.936 29.460 -1.575 0.000 1.128 637 W HN -0.057 nan 8.180 nan 0.000 0.642 638 A N 2.035 124.268 122.820 -0.977 0.000 2.278 638 A HA 0.047 4.369 4.320 0.003 0.000 0.212 638 A C 2.045 179.483 177.584 -0.244 0.000 1.213 638 A CA 0.137 51.717 52.037 -0.762 0.000 0.840 638 A CB -0.693 17.517 19.000 -1.317 0.000 0.866 638 A HN 0.439 nan 8.150 nan 0.000 0.489 639 R N -1.536 118.865 120.500 -0.165 0.000 2.312 639 R HA 0.305 4.647 4.340 0.003 0.000 0.205 639 R C -0.173 175.838 176.300 -0.482 0.000 0.904 639 R CA 0.545 56.522 56.100 -0.205 0.000 1.052 639 R CB 0.049 30.259 30.300 -0.150 0.000 1.014 639 R HN 0.217 nan 8.270 nan 0.000 0.503 640 S N -0.153 115.365 115.700 -0.304 0.000 2.697 640 S HA 0.260 4.732 4.470 0.003 0.000 0.289 640 S C -0.308 174.164 174.600 -0.214 0.000 1.149 640 S CA -0.873 57.022 58.200 -0.508 0.000 0.850 640 S CB 1.977 64.755 63.200 -0.703 0.000 1.151 640 S HN 0.172 nan 8.310 nan 0.000 0.491 641 N N -0.043 118.513 118.700 -0.240 0.000 2.270 641 N HA 0.221 4.963 4.740 0.003 0.000 0.181 641 N C 0.014 175.362 175.510 -0.271 0.000 1.016 641 N CA 0.616 53.545 53.050 -0.201 0.000 0.870 641 N CB 0.213 38.369 38.487 -0.552 0.000 0.979 641 N HN 0.399 nan 8.380 nan 0.000 0.431 642 L N -0.892 120.042 121.223 -0.481 0.000 2.582 642 L HA 0.474 4.816 4.340 0.003 0.000 0.257 642 L C -1.916 174.682 176.870 -0.453 0.000 0.974 642 L CA -0.741 53.908 54.840 -0.319 0.000 0.851 642 L CB 1.363 43.161 42.059 -0.435 0.000 1.424 642 L HN -0.198 nan 8.230 nan 0.000 0.412 643 F N 2.964 122.993 119.950 0.130 0.000 2.576 643 F HA 0.641 5.170 4.527 0.003 0.000 0.313 643 F C -0.776 175.217 175.800 0.321 0.000 1.078 643 F CA -0.531 57.604 58.000 0.225 0.000 0.921 643 F CB 2.167 41.411 39.000 0.406 0.000 1.232 643 F HN 0.160 nan 8.300 nan 0.000 0.459 644 L N 2.501 123.968 121.223 0.406 0.000 2.333 644 L HA 0.720 5.062 4.340 0.003 0.000 0.280 644 L C -0.263 176.816 176.870 0.349 0.000 1.004 644 L CA -0.521 54.514 54.840 0.325 0.000 0.820 644 L CB 2.008 44.164 42.059 0.162 0.000 1.247 644 L HN 0.777 nan 8.230 nan 0.000 0.416 645 T N -0.984 113.809 114.554 0.398 0.000 2.887 645 T HA 0.384 4.735 4.350 0.003 0.000 0.292 645 T C -0.613 174.217 174.700 0.216 0.000 1.087 645 T CA -1.024 61.257 62.100 0.301 0.000 1.009 645 T CB 2.139 71.224 68.868 0.362 0.000 1.203 645 T HN 0.456 nan 8.240 nan 0.000 0.518 646 K N 1.452 121.935 120.400 0.138 0.000 2.339 646 K HA 0.065 4.387 4.320 0.003 0.000 0.286 646 K C 0.233 176.894 176.600 0.102 0.000 1.050 646 K CA -0.518 55.835 56.287 0.109 0.000 0.956 646 K CB 0.247 32.789 32.500 0.069 0.000 0.990 646 K HN 0.814 nan 8.250 nan 0.000 0.475 647 H N 4.626 123.725 119.070 0.047 0.000 3.034 647 H HA 0.035 4.592 4.556 0.003 0.000 0.324 647 H C -1.072 174.262 175.328 0.010 0.000 1.015 647 H CA 1.089 57.157 56.048 0.032 0.000 1.429 647 H CB 0.499 30.268 29.762 0.011 0.000 1.429 647 H HN 0.553 nan 8.280 nan 0.000 0.585 648 K N 4.298 124.282 120.400 -0.695 0.000 2.501 648 K HA 0.092 4.414 4.320 0.003 0.000 0.252 648 K C 0.159 176.464 176.600 -0.492 0.000 0.934 648 K CA -0.857 55.159 56.287 -0.452 0.000 0.797 648 K CB 1.818 34.179 32.500 -0.231 0.000 1.270 648 K HN 0.537 nan 8.250 nan 0.000 0.431 649 D N 1.890 122.183 120.400 -0.178 0.000 2.182 649 D HA -0.186 4.456 4.640 0.003 0.000 0.201 649 D C 1.390 177.831 176.300 0.235 0.000 0.986 649 D CA 1.396 55.430 54.000 0.058 0.000 0.847 649 D CB 0.431 41.280 40.800 0.081 0.000 0.942 649 D HN 0.635 nan 8.370 nan 0.000 0.467 650 E N 0.951 121.254 120.200 0.171 0.000 2.427 650 E HA -0.113 4.239 4.350 0.003 0.000 0.196 650 E C 0.143 176.806 176.600 0.104 0.000 1.028 650 E CA 0.516 57.092 56.400 0.294 0.000 0.864 650 E CB -0.287 29.528 29.700 0.192 0.000 0.813 650 E HN 0.303 nan 8.360 nan 0.000 0.514 651 E N 1.146 121.277 120.200 -0.115 0.000 2.674 651 E HA 0.116 4.468 4.350 0.003 0.000 0.240 651 E C 0.544 177.103 176.600 -0.069 0.000 1.213 651 E CA -0.284 55.862 56.400 -0.423 0.000 1.357 651 E CB 0.563 29.559 29.700 -1.172 0.000 1.467 651 E HN 0.059 nan 8.360 nan 0.000 0.448 652 L N 1.584 122.896 121.223 0.148 0.000 2.109 652 L HA -0.015 4.327 4.340 0.003 0.000 0.207 652 L C 0.584 177.647 176.870 0.321 0.000 1.086 652 L CA 1.513 56.487 54.840 0.224 0.000 0.760 652 L CB 0.088 42.251 42.059 0.172 0.000 0.910 652 L HN 0.189 nan 8.230 nan 0.000 0.437 653 R N -2.308 118.409 120.500 0.362 0.000 2.643 653 R HA 0.400 4.741 4.340 0.003 0.000 0.269 653 R C 0.156 176.659 176.300 0.337 0.000 1.037 653 R CA 0.192 56.493 56.100 0.336 0.000 0.894 653 R CB 0.799 31.152 30.300 0.088 0.000 1.238 653 R HN -0.015 nan 8.270 nan 0.000 0.459 654 S N -0.105 115.709 115.700 0.190 0.000 2.548 654 S HA 0.099 4.571 4.470 0.003 0.000 0.215 654 S C 0.566 175.117 174.600 -0.082 0.000 0.976 654 S CA 0.176 58.344 58.200 -0.053 0.000 0.908 654 S CB 0.220 63.201 63.200 -0.364 0.000 0.781 654 S HN 0.593 nan 8.310 nan 0.000 0.519 655 S N 0.340 116.006 115.700 -0.056 0.000 2.671 655 S HA 0.738 5.210 4.470 0.003 0.000 0.277 655 S C -1.051 173.534 174.600 -0.025 0.000 1.165 655 S CA -0.038 58.153 58.200 -0.014 0.000 0.822 655 S CB 1.483 64.682 63.200 -0.002 0.000 1.150 655 S HN 0.679 nan 8.310 nan 0.000 0.479 656 T N -1.204 113.338 114.554 -0.020 0.000 2.864 656 T HA 0.726 5.078 4.350 0.003 0.000 0.299 656 T C 0.778 175.443 174.700 -0.057 0.000 1.166 656 T CA -0.102 61.968 62.100 -0.050 0.000 1.007 656 T CB 1.035 69.903 68.868 -0.001 0.000 1.219 656 T HN 0.981 nan 8.240 nan 0.000 0.506 657 A N 0.453 123.203 122.820 -0.116 0.000 2.172 657 A HA 0.256 4.578 4.320 0.003 0.000 0.216 657 A C 1.802 179.390 177.584 0.007 0.000 1.154 657 A CA 0.715 52.687 52.037 -0.109 0.000 0.701 657 A CB -0.870 17.924 19.000 -0.342 0.000 0.789 657 A HN 0.779 nan 8.150 nan 0.000 0.465 658 L N -1.092 120.139 121.223 0.014 0.000 2.607 658 L HA 0.121 4.463 4.340 0.003 0.000 0.228 658 L C 1.553 178.428 176.870 0.008 0.000 1.123 658 L CA -0.105 54.751 54.840 0.027 0.000 0.890 658 L CB -0.207 41.874 42.059 0.038 0.000 1.103 658 L HN 0.216 nan 8.230 nan 0.000 0.468 659 N N -0.318 118.382 118.700 -0.001 0.000 2.250 659 N HA -0.130 4.612 4.740 0.003 0.000 0.181 659 N C 1.920 177.394 175.510 -0.060 0.000 1.017 659 N CA 1.269 54.304 53.050 -0.025 0.000 0.866 659 N CB 0.006 38.480 38.487 -0.021 0.000 0.985 659 N HN 0.016 nan 8.380 nan 0.000 0.429 660 T N 0.483 115.006 114.554 -0.051 0.000 2.720 660 T HA -0.079 4.273 4.350 0.003 0.000 0.268 660 T C 1.193 175.825 174.700 -0.114 0.000 1.037 660 T CA 1.303 63.349 62.100 -0.089 0.000 1.144 660 T CB -0.157 68.686 68.868 -0.040 0.000 0.864 660 T HN 0.226 nan 8.240 nan 0.000 0.444 661 N N 0.821 119.468 118.700 -0.089 0.000 2.336 661 N HA 0.200 4.942 4.740 0.003 0.000 0.189 661 N C 0.322 175.788 175.510 -0.073 0.000 1.113 661 N CA 0.239 53.234 53.050 -0.091 0.000 0.858 661 N CB 0.223 38.648 38.487 -0.102 0.000 0.970 661 N HN 0.370 nan 8.380 nan 0.000 0.471 662 A N 1.280 124.058 122.820 -0.070 0.000 3.094 662 A HA 0.310 4.632 4.320 0.003 0.000 0.288 662 A C 1.368 178.906 177.584 -0.076 0.000 1.519 662 A CA -0.384 51.632 52.037 -0.035 0.000 1.227 662 A CB -0.610 18.379 19.000 -0.018 0.000 1.175 662 A HN 0.132 nan 8.150 nan 0.000 0.568 663 L N -0.431 120.723 121.223 -0.116 0.000 2.079 663 L HA -0.218 4.124 4.340 0.003 0.000 0.210 663 L C 1.754 178.308 176.870 -0.528 0.000 1.081 663 L CA 1.736 56.355 54.840 -0.368 0.000 0.752 663 L CB -0.481 41.287 42.059 -0.486 0.000 0.896 663 L HN 0.777 nan 8.230 nan 0.000 0.433 664 Y N -2.147 118.142 120.300 -0.018 0.000 2.535 664 Y HA 0.074 4.626 4.550 0.003 0.000 0.266 664 Y C 0.887 176.778 175.900 -0.015 0.000 1.088 664 Y CA -0.071 58.018 58.100 -0.019 0.000 1.285 664 Y CB 0.484 38.939 38.460 -0.010 0.000 1.166 664 Y HN 0.007 nan 8.280 nan 0.000 0.525 665 D N 0.785 121.253 120.400 0.114 0.000 2.861 665 D HA 0.199 4.840 4.640 0.003 0.000 0.357 665 D C -2.901 173.416 176.300 0.028 0.000 1.250 665 D CA -2.410 51.630 54.000 0.066 0.000 0.802 665 D CB 0.533 41.380 40.800 0.078 0.000 1.141 665 D HN -0.049 nan 8.370 nan 0.000 0.489 666 P HA 0.165 nan 4.420 nan 0.000 0.272 666 P C -1.999 175.304 177.300 0.007 0.000 1.223 666 P CA -1.105 61.987 63.100 -0.013 0.000 0.784 666 P CB 1.108 32.782 31.700 -0.044 0.000 0.923 667 P HA -0.143 nan 4.420 nan 0.000 0.216 667 P C 0.187 177.514 177.300 0.045 0.000 1.157 667 P CA 1.459 64.583 63.100 0.040 0.000 0.880 667 P CB 0.083 31.823 31.700 0.065 0.000 0.791 668 V N 0.245 120.180 119.914 0.036 0.000 2.409 668 V HA 0.305 4.427 4.120 0.003 0.000 0.291 668 V C -0.119 175.950 176.094 -0.041 0.000 1.020 668 V CA -0.832 61.481 62.300 0.022 0.000 0.848 668 V CB 1.346 33.202 31.823 0.055 0.000 0.990 668 V HN -0.001 nan 8.190 nan 0.000 0.430 669 N N 3.636 122.286 118.700 -0.083 0.000 2.469 669 N HA 0.193 4.935 4.740 0.003 0.000 0.253 669 N C 0.478 175.809 175.510 -0.298 0.000 0.970 669 N CA -0.565 52.409 53.050 -0.127 0.000 0.940 669 N CB 1.044 39.480 38.487 -0.084 0.000 1.128 669 N HN 0.571 nan 8.380 nan 0.000 0.503 670 F N 4.565 124.193 119.950 -0.537 0.000 2.202 670 F HA -0.099 4.430 4.527 0.003 0.000 0.301 670 F C 1.356 176.627 175.800 -0.882 0.000 1.082 670 F CA 1.318 58.717 58.000 -1.002 0.000 1.313 670 F CB 0.107 38.671 39.000 -0.727 0.000 1.024 670 F HN 0.485 nan 8.300 nan 0.000 0.495 671 N N 0.823 119.250 118.700 -0.456 0.000 2.443 671 N HA -0.108 4.634 4.740 0.003 0.000 0.184 671 N C 1.960 177.313 175.510 -0.262 0.000 1.037 671 N CA 1.013 53.857 53.050 -0.344 0.000 0.896 671 N CB -0.608 37.872 38.487 -0.011 0.000 0.959 671 N HN 0.431 nan 8.380 nan 0.000 0.442 672 A N 0.231 122.894 122.820 -0.261 0.000 2.070 672 A HA -0.094 4.227 4.320 0.003 0.000 0.220 672 A C 1.392 178.991 177.584 0.025 0.000 1.159 672 A CA 0.796 52.788 52.037 -0.075 0.000 0.656 672 A CB -0.605 18.390 19.000 -0.008 0.000 0.800 672 A HN 0.134 nan 8.150 nan 0.000 0.453 673 F N -0.533 119.178 119.950 -0.398 0.000 2.558 673 F HA 0.176 4.704 4.527 0.003 0.000 0.298 673 F C 0.780 176.412 175.800 -0.280 0.000 1.119 673 F CA -0.191 57.572 58.000 -0.396 0.000 1.451 673 F CB -0.727 37.844 39.000 -0.715 0.000 1.091 673 F HN 0.026 nan 8.300 nan 0.000 0.563 674 L N 2.172 123.343 121.223 -0.087 0.000 2.353 674 L HA 0.222 4.564 4.340 0.003 0.000 0.269 674 L C -0.299 176.618 176.870 0.080 0.000 1.085 674 L CA -0.302 54.536 54.840 -0.004 0.000 0.938 674 L CB 0.037 42.076 42.059 -0.034 0.000 1.312 674 L HN -0.020 nan 8.230 nan 0.000 0.429 675 D N -0.702 119.736 120.400 0.063 0.000 2.720 675 D HA 0.059 4.700 4.640 0.003 0.000 0.285 675 D C 0.052 176.382 176.300 0.051 0.000 1.359 675 D CA -0.520 53.513 54.000 0.054 0.000 0.818 675 D CB 0.186 41.007 40.800 0.035 0.000 1.108 675 D HN 0.293 nan 8.370 nan 0.000 0.474 676 D N 0.095 120.535 120.400 0.067 0.000 3.041 676 D HA -0.168 4.474 4.640 0.003 0.000 0.220 676 D C -0.486 175.842 176.300 0.048 0.000 1.157 676 D CA 0.724 54.760 54.000 0.059 0.000 0.876 676 D CB -1.074 39.754 40.800 0.046 0.000 1.107 676 D HN 0.559 nan 8.370 nan 0.000 0.422 677 E N 0.662 120.892 120.200 0.049 0.000 2.383 677 E HA 0.240 4.591 4.350 0.003 0.000 0.264 677 E C 0.413 177.041 176.600 0.046 0.000 1.050 677 E CA -0.075 56.350 56.400 0.043 0.000 0.896 677 E CB 0.860 30.585 29.700 0.041 0.000 0.982 677 E HN 0.032 nan 8.360 nan 0.000 0.424 678 S N 2.070 117.793 115.700 0.039 0.000 2.560 678 S HA 0.022 4.494 4.470 0.003 0.000 0.284 678 S C 0.540 175.167 174.600 0.046 0.000 1.327 678 S CA -0.184 58.039 58.200 0.038 0.000 1.055 678 S CB 0.230 63.448 63.200 0.031 0.000 0.868 678 S HN 0.466 nan 8.310 nan 0.000 0.506 679 L N 2.842 124.093 121.223 0.047 0.000 2.959 679 L HA 0.329 4.671 4.340 0.003 0.000 0.259 679 L C 0.237 177.133 176.870 0.044 0.000 1.185 679 L CA -0.122 54.750 54.840 0.053 0.000 0.998 679 L CB 0.317 42.413 42.059 0.061 0.000 1.337 679 L HN 0.546 nan 8.230 nan 0.000 0.555 680 D N 1.867 122.289 120.400 0.036 0.000 2.468 680 D HA 0.329 4.971 4.640 0.003 0.000 0.218 680 D C 0.777 177.096 176.300 0.031 0.000 1.155 680 D CA 0.217 54.235 54.000 0.030 0.000 0.924 680 D CB 0.571 41.385 40.800 0.024 0.000 1.029 680 D HN 0.286 nan 8.370 nan 0.000 0.515 681 G N 3.139 111.960 108.800 0.034 0.000 2.520 681 G HA2 -0.148 3.814 3.960 0.003 0.000 0.264 681 G HA3 -0.148 3.814 3.960 0.003 0.000 0.264 681 G C -0.286 174.635 174.900 0.035 0.000 1.140 681 G CA -0.418 44.702 45.100 0.034 0.000 1.012 681 G HN 0.444 nan 8.290 nan 0.000 0.511 682 E N -0.531 119.693 120.200 0.041 0.000 2.449 682 E HA 0.352 4.704 4.350 0.003 0.000 0.278 682 E C -1.238 175.391 176.600 0.049 0.000 0.992 682 E CA -0.946 55.480 56.400 0.045 0.000 0.807 682 E CB 1.315 31.046 29.700 0.052 0.000 1.350 682 E HN 0.140 nan 8.360 nan 0.000 0.462 683 D N 1.487 121.919 120.400 0.053 0.000 2.339 683 D HA 0.262 4.904 4.640 0.003 0.000 0.256 683 D C -0.482 175.873 176.300 0.091 0.000 1.214 683 D CA 0.033 54.062 54.000 0.049 0.000 0.877 683 D CB 0.047 40.861 40.800 0.025 0.000 1.111 683 D HN 0.290 nan 8.370 nan 0.000 0.478 684 I N 2.963 123.577 120.570 0.074 0.000 2.525 684 I HA 0.311 4.483 4.170 0.003 0.000 0.301 684 I C -0.128 176.033 176.117 0.073 0.000 0.992 684 I CA -1.100 60.254 61.300 0.090 0.000 1.162 684 I CB 2.057 40.101 38.000 0.073 0.000 1.332 684 I HN 0.051 nan 8.210 nan 0.000 0.458 685 V N 4.256 124.221 119.914 0.084 0.000 2.604 685 V HA 0.639 4.761 4.120 0.003 0.000 0.305 685 V C -0.020 176.032 176.094 -0.070 0.000 1.043 685 V CA -0.655 61.610 62.300 -0.059 0.000 0.888 685 V CB 1.747 33.479 31.823 -0.152 0.000 0.995 685 V HN 0.828 nan 8.190 nan 0.000 0.429 686 A N 4.064 126.786 122.820 -0.163 0.000 2.276 686 A HA 0.731 5.053 4.320 0.003 0.000 0.316 686 A C -1.356 176.130 177.584 -0.163 0.000 1.229 686 A CA -0.419 51.589 52.037 -0.048 0.000 0.851 686 A CB 0.392 19.369 19.000 -0.039 0.000 1.165 686 A HN 0.825 nan 8.150 nan 0.000 0.513 687 W N 2.868 124.274 121.300 0.176 0.000 2.283 687 W HA 0.514 5.176 4.660 0.003 0.000 0.317 687 W C -0.582 175.997 176.519 0.099 0.000 1.042 687 W CA -0.493 56.955 57.345 0.172 0.000 1.348 687 W CB 1.342 30.987 29.460 0.310 0.000 1.216 687 W HN 0.383 nan 8.180 nan 0.000 0.404 688 V N 4.909 124.910 119.914 0.145 0.000 2.435 688 V HA 0.364 4.486 4.120 0.003 0.000 0.290 688 V C -0.085 176.097 176.094 0.145 0.000 1.030 688 V CA -1.009 61.281 62.300 -0.017 0.000 0.881 688 V CB 1.034 32.551 31.823 -0.510 0.000 0.983 688 V HN 0.389 nan 8.190 nan 0.000 0.445 689 N N 4.241 123.054 118.700 0.189 0.000 2.456 689 N HA 0.704 5.446 4.740 0.003 0.000 0.296 689 N C -0.949 174.755 175.510 0.323 0.000 1.102 689 N CA -0.434 52.803 53.050 0.312 0.000 0.924 689 N CB 2.347 41.045 38.487 0.351 0.000 1.186 689 N HN 0.507 nan 8.380 nan 0.000 0.492 690 L N 0.233 121.679 121.223 0.371 0.000 2.354 690 L HA 0.834 5.175 4.340 0.003 0.000 0.269 690 L C 0.588 177.592 176.870 0.222 0.000 1.005 690 L CA -0.798 54.217 54.840 0.292 0.000 0.819 690 L CB 2.261 44.518 42.059 0.331 0.000 1.311 690 L HN 0.585 nan 8.230 nan 0.000 0.423 691 G N 1.722 110.591 108.800 0.115 0.000 2.649 691 G HA2 0.733 4.694 3.960 0.003 0.000 0.290 691 G HA3 0.733 4.694 3.960 0.003 0.000 0.290 691 G C -1.994 172.877 174.900 -0.049 0.000 1.426 691 G CA -0.549 44.586 45.100 0.058 0.000 0.794 691 G HN 0.367 nan 8.290 nan 0.000 0.483 692 L N 0.764 121.958 121.223 -0.048 0.000 2.464 692 L HA 0.428 4.770 4.340 0.003 0.000 0.266 692 L C -1.054 175.753 176.870 -0.105 0.000 0.965 692 L CA -1.126 53.663 54.840 -0.085 0.000 0.833 692 L CB 2.595 44.664 42.059 0.017 0.000 1.296 692 L HN 0.488 nan 8.230 nan 0.000 0.405 693 H N 2.235 121.340 119.070 0.058 0.000 2.761 693 H HA 0.214 4.772 4.556 0.003 0.000 0.284 693 H C -0.846 174.577 175.328 0.158 0.000 1.105 693 H CA -0.136 55.955 56.048 0.071 0.000 1.352 693 H CB 0.508 30.358 29.762 0.147 0.000 1.423 693 H HN 0.532 nan 8.280 nan 0.000 0.464 694 H N 3.742 122.796 119.070 -0.027 0.000 2.556 694 H HA 0.218 4.776 4.556 0.003 0.000 0.310 694 H C -0.731 174.618 175.328 0.036 0.000 1.057 694 H CA -0.990 55.005 56.048 -0.089 0.000 1.264 694 H CB 0.845 30.416 29.762 -0.319 0.000 1.404 694 H HN 0.296 nan 8.280 nan 0.000 0.462 695 L N 9.070 130.445 121.223 0.255 0.000 2.387 695 L HA 0.393 4.735 4.340 0.003 0.000 0.259 695 L C -2.606 174.306 176.870 0.070 0.000 1.050 695 L CA -1.893 53.019 54.840 0.121 0.000 0.922 695 L CB 0.744 42.783 42.059 -0.033 0.000 1.280 695 L HN 0.545 nan 8.230 nan 0.000 0.449 696 P HA 0.192 nan 4.420 nan 0.000 0.267 696 P C -1.115 176.217 177.300 0.053 0.000 1.200 696 P CA 0.146 63.243 63.100 -0.005 0.000 0.772 696 P CB 0.578 32.253 31.700 -0.042 0.000 0.855 697 N N -1.398 117.344 118.700 0.070 0.000 3.379 697 N HA 0.269 5.011 4.740 0.003 0.000 0.350 697 N C 0.902 176.439 175.510 0.046 0.000 1.553 697 N CA -0.525 52.548 53.050 0.039 0.000 0.712 697 N CB -0.183 38.321 38.487 0.027 0.000 1.880 697 N HN 0.126 nan 8.380 nan 0.000 0.648 698 S N -0.977 114.737 115.700 0.023 0.000 2.402 698 S HA -0.203 4.269 4.470 0.003 0.000 0.233 698 S C 1.183 175.812 174.600 0.048 0.000 1.030 698 S CA 1.465 59.684 58.200 0.031 0.000 1.003 698 S CB -0.881 62.324 63.200 0.009 0.000 0.813 698 S HN 0.598 nan 8.310 nan 0.000 0.477 699 N N 1.710 120.438 118.700 0.047 0.000 2.515 699 N HA 0.089 4.831 4.740 0.003 0.000 0.191 699 N C 0.291 175.836 175.510 0.060 0.000 1.182 699 N CA 0.560 53.637 53.050 0.046 0.000 0.879 699 N CB -0.116 38.395 38.487 0.039 0.000 0.984 699 N HN 0.520 nan 8.380 nan 0.000 0.453 700 D N -0.697 119.754 120.400 0.084 0.000 2.431 700 D HA 0.128 4.770 4.640 0.003 0.000 0.213 700 D C -0.310 176.044 176.300 0.091 0.000 1.130 700 D CA 0.093 54.153 54.000 0.101 0.000 0.834 700 D CB 1.238 42.133 40.800 0.159 0.000 0.985 700 D HN 0.195 nan 8.370 nan 0.000 0.504 701 L N 2.042 123.322 121.223 0.095 0.000 2.341 701 L HA 0.285 4.627 4.340 0.003 0.000 0.278 701 L C -1.429 175.496 176.870 0.091 0.000 1.005 701 L CA -1.555 53.365 54.840 0.134 0.000 0.818 701 L CB 2.541 44.725 42.059 0.208 0.000 1.259 701 L HN -0.265 nan 8.230 nan 0.000 0.418 702 P HA 0.017 nan 4.420 nan 0.000 0.231 702 P C -0.284 176.971 177.300 -0.075 0.000 1.168 702 P CA 0.662 63.798 63.100 0.060 0.000 0.779 702 P CB 0.525 32.231 31.700 0.009 0.000 0.844 703 N N -1.340 117.276 118.700 -0.141 0.000 2.284 703 N HA 0.215 4.957 4.740 0.003 0.000 0.289 703 N C -0.749 174.687 175.510 -0.124 0.000 1.179 703 N CA -0.487 52.420 53.050 -0.238 0.000 0.774 703 N CB 1.992 40.250 38.487 -0.382 0.000 1.548 703 N HN -0.279 nan 8.380 nan 0.000 0.473 704 T N 1.556 116.049 114.554 -0.102 0.000 2.918 704 T HA 0.265 4.617 4.350 0.003 0.000 0.302 704 T C 0.353 174.925 174.700 -0.213 0.000 1.045 704 T CA -0.050 62.016 62.100 -0.058 0.000 1.114 704 T CB 0.154 69.039 68.868 0.030 0.000 0.965 704 T HN 0.334 nan 8.240 nan 0.000 0.540 705 I N -0.923 119.550 120.570 -0.161 0.000 2.525 705 I HA 0.460 4.631 4.170 0.003 0.000 0.301 705 I C 0.419 176.448 176.117 -0.148 0.000 0.992 705 I CA -0.915 60.267 61.300 -0.197 0.000 1.162 705 I CB 1.216 39.165 38.000 -0.085 0.000 1.332 705 I HN 0.573 nan 8.210 nan 0.000 0.458 706 F N 2.009 121.909 119.950 -0.083 0.000 2.325 706 F HA -0.158 4.371 4.527 0.003 0.000 0.299 706 F C 2.726 178.465 175.800 -0.102 0.000 1.090 706 F CA 1.145 59.084 58.000 -0.102 0.000 1.392 706 F CB 0.179 39.116 39.000 -0.106 0.000 1.053 706 F HN 0.767 nan 8.300 nan 0.000 0.521 707 S N -0.830 114.928 115.700 0.097 0.000 2.382 707 S HA -0.179 4.293 4.470 0.003 0.000 0.228 707 S C 1.645 176.251 174.600 0.011 0.000 1.027 707 S CA 1.561 59.770 58.200 0.014 0.000 0.991 707 S CB -1.071 62.134 63.200 0.007 0.000 0.823 707 S HN 0.396 nan 8.310 nan 0.000 0.469 708 T N -1.579 112.989 114.554 0.023 0.000 3.085 708 T HA 0.665 5.017 4.350 0.003 0.000 0.264 708 T C 0.332 175.042 174.700 0.018 0.000 1.019 708 T CA 0.061 62.178 62.100 0.027 0.000 0.910 708 T CB 0.463 69.341 68.868 0.017 0.000 1.059 708 T HN 0.493 nan 8.240 nan 0.000 0.542 709 A N 1.654 124.483 122.820 0.015 0.000 2.923 709 A HA 0.631 4.953 4.320 0.003 0.000 0.343 709 A C -0.722 176.903 177.584 0.068 0.000 1.199 709 A CA -0.533 51.481 52.037 -0.038 0.000 0.878 709 A CB -0.258 18.652 19.000 -0.151 0.000 1.104 709 A HN 0.558 nan 8.150 nan 0.000 0.483 710 H N 0.611 119.651 119.070 -0.051 0.000 2.771 710 H HA 0.795 5.353 4.556 0.003 0.000 0.361 710 H C -0.797 174.503 175.328 -0.046 0.000 1.108 710 H CA -0.173 55.846 56.048 -0.048 0.000 1.201 710 H CB 1.750 31.486 29.762 -0.043 0.000 1.681 710 H HN 0.652 nan 8.280 nan 0.000 0.534 711 A N 2.971 125.576 122.820 -0.358 0.000 2.515 711 A HA 0.744 5.066 4.320 0.003 0.000 0.298 711 A C -1.107 176.220 177.584 -0.429 0.000 1.059 711 A CA -0.029 51.797 52.037 -0.352 0.000 0.698 711 A CB 1.259 20.204 19.000 -0.091 0.000 1.289 711 A HN 1.127 nan 8.150 nan 0.000 0.404 712 S N -0.043 115.446 115.700 -0.352 0.000 2.588 712 S HA 0.896 5.368 4.470 0.003 0.000 0.269 712 S C -0.856 173.655 174.600 -0.149 0.000 1.157 712 S CA -0.562 57.446 58.200 -0.320 0.000 0.824 712 S CB 1.134 64.120 63.200 -0.358 0.000 1.126 712 S HN 1.944 nan 8.310 nan 0.000 0.464 713 F N -1.014 118.779 119.950 -0.261 0.000 2.643 713 F HA 0.888 5.417 4.527 0.003 0.000 0.314 713 F C -1.022 174.645 175.800 -0.222 0.000 1.096 713 F CA -1.299 56.563 58.000 -0.230 0.000 0.953 713 F CB 1.429 40.331 39.000 -0.164 0.000 1.345 713 F HN 0.665 nan 8.300 nan 0.000 0.468 714 M N 2.359 121.969 119.600 0.017 0.000 2.602 714 M HA 0.595 5.077 4.480 0.003 0.000 0.312 714 M C -1.548 174.818 176.300 0.109 0.000 1.181 714 M CA -0.779 54.485 55.300 -0.059 0.000 0.910 714 M CB 2.703 35.231 32.600 -0.121 0.000 1.723 714 M HN 0.615 nan 8.290 nan 0.000 0.459 715 L N 1.205 122.481 121.223 0.088 0.000 2.316 715 L HA 0.556 4.898 4.340 0.003 0.000 0.280 715 L C -0.399 176.616 176.870 0.242 0.000 1.006 715 L CA -0.422 54.551 54.840 0.222 0.000 0.836 715 L CB 1.637 43.822 42.059 0.211 0.000 1.221 715 L HN 0.602 nan 8.230 nan 0.000 0.418 716 T N 3.717 118.330 114.554 0.099 0.000 2.861 716 T HA 0.533 4.885 4.350 0.003 0.000 0.287 716 T C -2.697 171.657 174.700 -0.578 0.000 1.003 716 T CA -1.893 60.116 62.100 -0.152 0.000 0.977 716 T CB 2.032 70.836 68.868 -0.106 0.000 0.996 716 T HN 0.141 nan 8.240 nan 0.000 0.448 717 P HA 0.263 nan 4.420 nan 0.000 0.266 717 P C -1.392 175.752 177.300 -0.261 0.000 1.195 717 P CA 0.105 62.643 63.100 -0.937 0.000 0.768 717 P CB 0.067 31.493 31.700 -0.457 0.000 0.838 718 F N 3.609 123.399 119.950 -0.266 0.000 2.941 718 F HA 0.281 4.810 4.527 0.003 0.000 0.359 718 F C 0.013 175.812 175.800 -0.002 0.000 1.231 718 F CA -0.482 57.462 58.000 -0.095 0.000 1.089 718 F CB 0.533 39.495 39.000 -0.063 0.000 1.407 718 F HN 0.257 nan 8.300 nan 0.000 0.538 719 N N 3.473 122.103 118.700 -0.115 0.000 2.708 719 N HA -0.341 4.401 4.740 0.003 0.000 0.251 719 N C 0.606 176.159 175.510 0.073 0.000 1.123 719 N CA 1.473 54.524 53.050 0.002 0.000 0.739 719 N CB -1.746 36.771 38.487 0.049 0.000 1.113 719 N HN 0.796 nan 8.380 nan 0.000 0.561 720 Y N -0.331 119.903 120.300 -0.110 0.000 2.314 720 Y HA 0.117 4.669 4.550 0.003 0.000 0.293 720 Y C 0.622 176.303 175.900 -0.364 0.000 1.129 720 Y CA 1.279 59.224 58.100 -0.258 0.000 1.201 720 Y CB 0.196 38.392 38.460 -0.440 0.000 0.999 720 Y HN 0.081 nan 8.280 nan 0.000 0.541 721 F N -0.995 118.988 119.950 0.056 0.000 2.712 721 F HA 0.280 4.809 4.527 0.003 0.000 0.367 721 F C 1.153 176.959 175.800 0.010 0.000 1.132 721 F CA -1.187 56.805 58.000 -0.013 0.000 1.066 721 F CB 0.182 39.222 39.000 0.067 0.000 1.416 721 F HN -0.390 nan 8.300 nan 0.000 0.515 722 D N -0.530 120.015 120.400 0.241 0.000 2.348 722 D HA 0.094 4.736 4.640 0.003 0.000 0.211 722 D C 0.116 176.553 176.300 0.229 0.000 0.998 722 D CA 0.783 54.911 54.000 0.214 0.000 0.873 722 D CB 0.202 41.079 40.800 0.129 0.000 0.925 722 D HN 0.374 nan 8.370 nan 0.000 0.524 723 S N -1.174 114.637 115.700 0.185 0.000 2.615 723 S HA 0.248 4.720 4.470 0.003 0.000 0.269 723 S C -0.809 173.859 174.600 0.113 0.000 1.161 723 S CA -1.011 57.253 58.200 0.107 0.000 0.817 723 S CB 2.579 65.809 63.200 0.050 0.000 1.131 723 S HN -0.132 nan 8.310 nan 0.000 0.467 724 E N 0.765 121.003 120.200 0.063 0.000 2.290 724 E HA 0.152 4.504 4.350 0.003 0.000 0.277 724 E C -0.388 176.231 176.600 0.031 0.000 1.035 724 E CA -0.032 56.412 56.400 0.073 0.000 0.873 724 E CB 0.342 30.067 29.700 0.041 0.000 1.029 724 E HN 0.686 nan 8.360 nan 0.000 0.419 725 N N 2.436 121.165 118.700 0.047 0.000 2.295 725 N HA -0.028 4.714 4.740 0.003 0.000 0.221 725 N C 0.757 176.285 175.510 0.030 0.000 1.129 725 N CA 0.102 53.116 53.050 -0.060 0.000 0.836 725 N CB 0.382 38.703 38.487 -0.276 0.000 1.040 725 N HN 0.376 nan 8.380 nan 0.000 0.494 726 S N -0.180 115.558 115.700 0.064 0.000 2.558 726 S HA 0.126 4.597 4.470 0.003 0.000 0.217 726 S C 1.666 176.273 174.600 0.011 0.000 0.975 726 S CA -0.205 58.041 58.200 0.077 0.000 0.912 726 S CB 0.171 63.441 63.200 0.118 0.000 0.776 726 S HN 0.150 nan 8.310 nan 0.000 0.526 727 R N 2.518 123.001 120.500 -0.029 0.000 2.193 727 R HA -0.043 4.299 4.340 0.003 0.000 0.229 727 R C 1.164 177.398 176.300 -0.111 0.000 1.110 727 R CA 1.383 57.442 56.100 -0.069 0.000 0.988 727 R CB -0.868 29.385 30.300 -0.080 0.000 0.871 727 R HN 0.773 nan 8.270 nan 0.000 0.458 728 D N -0.475 119.863 120.400 -0.103 0.000 2.349 728 D HA -0.051 4.591 4.640 0.003 0.000 0.224 728 D C 0.564 176.798 176.300 -0.110 0.000 1.029 728 D CA 0.077 54.004 54.000 -0.120 0.000 0.879 728 D CB -0.386 40.343 40.800 -0.119 0.000 0.906 728 D HN -0.146 nan 8.370 nan 0.000 0.528 729 T N 0.300 114.806 114.554 -0.080 0.000 2.900 729 T HA 0.136 4.488 4.350 0.003 0.000 0.307 729 T C 1.509 176.163 174.700 -0.077 0.000 1.065 729 T CA 0.636 62.705 62.100 -0.052 0.000 1.105 729 T CB 1.115 69.987 68.868 0.007 0.000 0.979 729 T HN 0.244 nan 8.240 nan 0.000 0.544 730 T N 1.198 115.744 114.554 -0.013 0.000 3.100 730 T HA 0.125 4.476 4.350 0.003 0.000 0.253 730 T C 0.741 175.540 174.700 0.164 0.000 1.118 730 T CA 0.054 62.184 62.100 0.050 0.000 1.058 730 T CB 0.182 69.119 68.868 0.115 0.000 0.953 730 T HN 0.520 nan 8.240 nan 0.000 0.515 731 Q N 2.972 122.859 119.800 0.145 0.000 3.181 731 Q HA 0.308 4.649 4.340 0.003 0.000 0.293 731 Q C -0.028 176.126 176.000 0.256 0.000 1.406 731 Q CA 0.048 55.985 55.803 0.224 0.000 1.026 731 Q CB -0.209 28.640 28.738 0.184 0.000 1.630 731 Q HN 0.888 nan 8.270 nan 0.000 0.553 732 Q N -2.199 117.800 119.800 0.331 0.000 2.590 732 Q HA 0.751 5.093 4.340 0.003 0.000 0.295 732 Q C -1.449 174.873 176.000 0.536 0.000 0.973 732 Q CA -0.956 55.052 55.803 0.341 0.000 0.768 732 Q CB 1.733 30.577 28.738 0.176 0.000 1.479 732 Q HN 0.036 nan 8.270 nan 0.000 0.419 733 V N 1.269 121.471 119.914 0.480 0.000 2.876 733 V HA 0.749 4.871 4.120 0.003 0.000 0.312 733 V C -1.992 174.379 176.094 0.462 0.000 1.085 733 V CA -0.725 61.849 62.300 0.457 0.000 0.945 733 V CB 2.030 34.090 31.823 0.395 0.000 1.017 733 V HN 0.798 nan 8.190 nan 0.000 0.428 734 F N 7.313 127.352 119.950 0.148 0.000 2.500 734 F HA 0.561 5.090 4.527 0.003 0.000 0.349 734 F C -1.332 174.424 175.800 -0.073 0.000 1.127 734 F CA -0.769 57.281 58.000 0.084 0.000 0.998 734 F CB 1.059 40.126 39.000 0.111 0.000 1.237 734 F HN 0.678 nan 8.300 nan 0.000 0.439 735 Y N 5.823 125.787 120.300 -0.560 0.000 2.342 735 Y HA 0.631 5.183 4.550 0.003 0.000 0.334 735 Y C -0.592 174.817 175.900 -0.819 0.000 1.067 735 Y CA -0.391 57.215 58.100 -0.823 0.000 1.128 735 Y CB 1.415 39.308 38.460 -0.946 0.000 1.200 735 Y HN 0.619 nan 8.280 nan 0.000 0.464 736 T N 3.278 117.009 114.554 -1.372 0.000 2.906 736 T HA 0.457 4.808 4.350 0.003 0.000 0.295 736 T C -1.825 172.313 174.700 -0.937 0.000 1.061 736 T CA -0.787 60.760 62.100 -0.921 0.000 1.000 736 T CB 1.802 70.279 68.868 -0.650 0.000 1.103 736 T HN 0.641 nan 8.240 nan 0.000 0.486 737 Y N 1.357 121.309 120.300 -0.580 0.000 2.442 737 Y HA 0.539 5.091 4.550 0.003 0.000 0.344 737 Y C -1.425 174.347 175.900 -0.213 0.000 0.976 737 Y CA -1.164 56.704 58.100 -0.387 0.000 1.040 737 Y CB 1.912 40.268 38.460 -0.173 0.000 1.228 737 Y HN 0.873 nan 8.280 nan 0.000 0.451 738 D N 3.491 123.430 120.400 -0.767 0.000 2.274 738 D HA 0.171 4.812 4.640 0.003 0.000 0.239 738 D C 0.016 175.833 176.300 -0.804 0.000 1.104 738 D CA -0.181 53.458 54.000 -0.602 0.000 0.840 738 D CB 1.442 42.015 40.800 -0.379 0.000 1.100 738 D HN 0.709 nan 8.370 nan 0.000 0.477 739 D N 2.593 122.785 120.400 -0.345 0.000 2.265 739 D HA -0.138 4.504 4.640 0.003 0.000 0.208 739 D C 1.247 177.478 176.300 -0.116 0.000 0.977 739 D CA 1.222 55.152 54.000 -0.118 0.000 0.871 739 D CB 0.402 41.208 40.800 0.010 0.000 0.925 739 D HN 0.601 nan 8.370 nan 0.000 0.485 740 E N -0.180 119.931 120.200 -0.149 0.000 2.011 740 E HA -0.095 4.257 4.350 0.003 0.000 0.191 740 E C 2.308 178.838 176.600 -0.117 0.000 0.979 740 E CA 1.483 57.822 56.400 -0.102 0.000 0.822 740 E CB -0.214 29.433 29.700 -0.088 0.000 0.782 740 E HN 0.326 nan 8.360 nan 0.000 0.459 741 T N -1.190 113.268 114.554 -0.159 0.000 2.915 741 T HA -0.117 4.235 4.350 0.003 0.000 0.269 741 T C 0.546 175.156 174.700 -0.151 0.000 1.071 741 T CA 1.135 63.152 62.100 -0.137 0.000 1.132 741 T CB -0.219 68.566 68.868 -0.137 0.000 0.878 741 T HN 0.281 nan 8.240 nan 0.000 0.479 742 E N 0.339 120.358 120.200 -0.303 0.000 2.833 742 E HA -0.121 4.231 4.350 0.003 0.000 0.289 742 E C -0.599 175.914 176.600 -0.146 0.000 0.980 742 E CA 0.303 56.560 56.400 -0.239 0.000 0.897 742 E CB -1.372 28.367 29.700 0.065 0.000 1.440 742 E HN 0.680 nan 8.360 nan 0.000 0.410 743 E N 0.595 120.608 120.200 -0.312 0.000 2.191 743 E HA 0.386 4.738 4.350 0.003 0.000 0.278 743 E C -0.504 175.989 176.600 -0.178 0.000 0.972 743 E CA -0.238 56.073 56.400 -0.150 0.000 0.804 743 E CB 1.671 31.285 29.700 -0.143 0.000 1.110 743 E HN -0.028 nan 8.360 nan 0.000 0.394 744 S N 2.646 118.334 115.700 -0.021 0.000 2.617 744 S HA 0.355 4.826 4.470 0.003 0.000 0.283 744 S C -0.151 174.298 174.600 -0.251 0.000 1.189 744 S CA -0.770 57.330 58.200 -0.167 0.000 1.036 744 S CB 1.042 64.273 63.200 0.052 0.000 1.014 744 S HN 0.466 nan 8.310 nan 0.000 0.522 745 N N 0.747 119.119 118.700 -0.546 0.000 2.249 745 N HA 0.375 5.116 4.740 0.003 0.000 0.296 745 N C -2.192 172.990 175.510 -0.548 0.000 1.051 745 N CA -0.457 52.377 53.050 -0.360 0.000 0.815 745 N CB 1.336 39.646 38.487 -0.295 0.000 1.487 745 N HN 0.551 nan 8.380 nan 0.000 0.475 746 W N 1.602 122.733 121.300 -0.281 0.000 2.538 746 W HA 0.298 4.960 4.660 0.003 0.000 0.322 746 W C -0.142 176.038 176.519 -0.564 0.000 1.028 746 W CA -0.553 56.526 57.345 -0.443 0.000 1.228 746 W CB 1.432 30.629 29.460 -0.438 0.000 1.356 746 W HN 0.430 nan 8.180 nan 0.000 0.452 747 E N 2.580 122.535 120.200 -0.408 0.000 2.129 747 E HA 0.402 4.754 4.350 0.003 0.000 0.268 747 E C -0.861 175.421 176.600 -0.530 0.000 0.900 747 E CA -0.420 55.719 56.400 -0.435 0.000 0.755 747 E CB 0.426 29.885 29.700 -0.401 0.000 1.117 747 E HN 0.405 nan 8.360 nan 0.000 0.410 748 F N 3.312 123.237 119.950 -0.043 0.000 2.661 748 F HA 0.213 4.742 4.527 0.003 0.000 0.306 748 F C -0.199 175.743 175.800 0.237 0.000 1.094 748 F CA -0.490 57.623 58.000 0.188 0.000 1.254 748 F CB 0.093 39.277 39.000 0.307 0.000 1.040 748 F HN 0.527 nan 8.300 nan 0.000 0.562 749 Y N 0.445 120.928 120.300 0.304 0.000 3.305 749 Y HA -0.225 4.327 4.550 0.003 0.000 0.212 749 Y C 1.449 177.461 175.900 0.187 0.000 1.248 749 Y CA 0.465 58.688 58.100 0.205 0.000 1.359 749 Y CB -1.783 36.782 38.460 0.174 0.000 1.407 749 Y HN 0.350 nan 8.280 nan 0.000 0.572 750 G N -0.922 108.038 108.800 0.266 0.000 2.175 750 G HA2 -0.288 3.674 3.960 0.003 0.000 0.244 750 G HA3 -0.288 3.674 3.960 0.003 0.000 0.244 750 G C -0.084 174.910 174.900 0.157 0.000 0.982 750 G CA -0.086 45.126 45.100 0.186 0.000 0.641 750 G HN 0.447 nan 8.290 nan 0.000 0.527 751 N N 1.508 120.339 118.700 0.219 0.000 2.439 751 N HA 0.353 5.095 4.740 0.003 0.000 0.249 751 N C -1.485 174.050 175.510 0.042 0.000 1.003 751 N CA -0.281 52.826 53.050 0.095 0.000 0.942 751 N CB 1.554 40.121 38.487 0.133 0.000 1.115 751 N HN 0.228 nan 8.380 nan 0.000 0.505 752 D N 1.960 122.321 120.400 -0.065 0.000 2.380 752 D HA 0.094 4.736 4.640 0.003 0.000 0.230 752 D C 0.101 176.299 176.300 -0.170 0.000 1.154 752 D CA -0.451 53.507 54.000 -0.069 0.000 0.859 752 D CB 0.354 41.135 40.800 -0.032 0.000 1.045 752 D HN 0.436 nan 8.370 nan 0.000 0.495 753 W N 2.364 123.455 121.300 -0.349 0.000 3.180 753 W HA 0.113 4.775 4.660 0.003 0.000 0.254 753 W C 0.922 177.312 176.519 -0.216 0.000 1.318 753 W CA -0.294 56.863 57.345 -0.314 0.000 1.608 753 W CB -0.223 28.943 29.460 -0.489 0.000 1.124 753 W HN 0.214 nan 8.180 nan 0.000 0.694 754 S N 0.777 116.476 115.700 -0.001 0.000 2.558 754 S HA 0.018 4.490 4.470 0.003 0.000 0.287 754 S C 0.770 175.363 174.600 -0.012 0.000 1.321 754 S CA -0.214 57.981 58.200 -0.008 0.000 1.048 754 S CB 0.423 63.615 63.200 -0.014 0.000 0.844 754 S HN -0.005 nan 8.310 nan 0.000 0.512 755 S N 1.749 117.446 115.700 -0.005 0.000 2.552 755 S HA 0.252 4.724 4.470 0.003 0.000 0.289 755 S C 0.401 174.990 174.600 -0.019 0.000 1.304 755 S CA -0.476 57.719 58.200 -0.007 0.000 1.063 755 S CB -0.692 62.506 63.200 -0.004 0.000 0.848 755 S HN 0.918 nan 8.310 nan 0.000 0.499 756 c N 0.957 119.542 118.600 -0.025 0.000 3.173 756 c HA 0.939 5.510 4.570 0.003 0.000 0.310 756 c C 0.276 174.350 174.090 -0.027 0.000 1.306 756 c CA -0.970 55.341 56.329 -0.029 0.000 1.426 756 c CB 0.720 43.205 42.510 -0.043 0.000 1.800 756 c HN 0.869 nan 8.230 nan 0.000 0.470 757 G N 1.039 109.825 108.800 -0.023 0.000 2.389 757 G HA2 0.789 4.751 3.960 0.003 0.000 0.317 757 G HA3 0.789 4.751 3.960 0.003 0.000 0.317 757 G C -1.082 173.805 174.900 -0.023 0.000 1.137 757 G CA -0.338 44.751 45.100 -0.020 0.000 0.870 757 G HN 1.628 nan 8.290 nan 0.000 0.496 758 L N -1.725 119.485 121.223 -0.021 0.000 2.491 758 L HA 0.781 5.123 4.340 0.003 0.000 0.254 758 L C -0.824 176.036 176.870 -0.017 0.000 1.048 758 L CA -1.551 53.276 54.840 -0.022 0.000 0.855 758 L CB 1.470 43.513 42.059 -0.028 0.000 1.466 758 L HN 0.233 nan 8.230 nan 0.000 0.409 759 E N 0.885 121.075 120.200 -0.016 0.000 2.174 759 E HA 0.470 4.822 4.350 0.003 0.000 0.282 759 E C -0.913 175.678 176.600 -0.014 0.000 0.992 759 E CA -0.526 55.867 56.400 -0.012 0.000 0.803 759 E CB 1.942 31.636 29.700 -0.010 0.000 1.090 759 E HN 0.503 nan 8.360 nan 0.000 0.396 760 V N 6.424 126.331 119.914 -0.012 0.000 2.372 760 V HA 0.185 4.307 4.120 0.003 0.000 0.261 760 V C -1.653 174.432 176.094 -0.014 0.000 1.055 760 V CA -1.285 61.005 62.300 -0.016 0.000 0.930 760 V CB 0.244 32.059 31.823 -0.014 0.000 1.031 760 V HN 0.502 nan 8.190 nan 0.000 0.479 761 P HA 0.290 nan 4.420 nan 0.000 0.282 761 P C -0.382 176.897 177.300 -0.035 0.000 1.249 761 P CA -0.567 62.519 63.100 -0.024 0.000 0.806 761 P CB 1.163 32.846 31.700 -0.029 0.000 0.984 762 E N 2.894 123.078 120.200 -0.025 0.000 2.316 762 E HA 0.191 4.543 4.350 0.003 0.000 0.275 762 E C -1.875 174.621 176.600 -0.173 0.000 1.029 762 E CA -1.742 54.635 56.400 -0.038 0.000 0.871 762 E CB 0.077 29.804 29.700 0.045 0.000 1.022 762 E HN 0.287 nan 8.360 nan 0.000 0.418 763 P HA -0.054 nan 4.420 nan 0.000 0.269 763 P C -0.685 176.263 177.300 -0.587 0.000 1.217 763 P CA -0.100 62.657 63.100 -0.573 0.000 0.783 763 P CB 0.350 31.443 31.700 -1.012 0.000 0.898 764 N N 2.079 120.570 118.700 -0.348 0.000 3.210 764 N HA -0.020 4.722 4.740 0.003 0.000 0.314 764 N C 0.541 175.965 175.510 -0.144 0.000 1.291 764 N CA 0.164 53.099 53.050 -0.192 0.000 1.202 764 N CB -1.048 37.376 38.487 -0.106 0.000 1.475 764 N HN 0.377 nan 8.380 nan 0.000 0.554 765 F N 1.260 121.228 119.950 0.030 0.000 2.202 765 F HA -0.205 4.324 4.527 0.003 0.000 0.301 765 F C 2.460 178.305 175.800 0.075 0.000 1.082 765 F CA 1.028 59.058 58.000 0.050 0.000 1.313 765 F CB 0.021 39.055 39.000 0.055 0.000 1.024 765 F HN 0.294 nan 8.300 nan 0.000 0.495 766 E N 0.316 120.647 120.200 0.218 0.000 2.265 766 E HA -0.227 4.125 4.350 0.003 0.000 0.196 766 E C 0.834 177.496 176.600 0.102 0.000 0.996 766 E CA 1.522 58.008 56.400 0.144 0.000 0.832 766 E CB -0.642 29.116 29.700 0.097 0.000 0.756 766 E HN 0.378 nan 8.360 nan 0.000 0.491 767 D N -0.173 120.272 120.400 0.075 0.000 2.347 767 D HA -0.052 4.590 4.640 0.003 0.000 0.215 767 D C -0.243 176.098 176.300 0.068 0.000 0.976 767 D CA 0.361 54.380 54.000 0.031 0.000 0.884 767 D CB -0.311 40.463 40.800 -0.044 0.000 0.915 767 D HN 0.237 nan 8.370 nan 0.000 0.526 768 Y N 1.357 121.664 120.300 0.011 0.000 2.383 768 Y HA 0.296 4.848 4.550 0.003 0.000 0.344 768 Y C -0.403 175.542 175.900 0.074 0.000 0.986 768 Y CA -0.089 58.033 58.100 0.037 0.000 1.175 768 Y CB 0.736 39.238 38.460 0.070 0.000 1.152 768 Y HN -0.342 nan 8.280 nan 0.000 0.511 769 T N 6.430 120.719 114.554 -0.441 0.000 2.876 769 T HA 0.164 4.516 4.350 0.003 0.000 0.289 769 T C -1.349 173.064 174.700 -0.478 0.000 1.014 769 T CA -0.552 61.352 62.100 -0.327 0.000 0.986 769 T CB 0.732 69.537 68.868 -0.106 0.000 1.021 769 T HN 0.512 nan 8.240 nan 0.000 0.458 770 Y N 1.958 122.053 120.300 -0.342 0.000 2.683 770 Y HA 0.406 4.958 4.550 0.003 0.000 0.340 770 Y C 0.778 176.691 175.900 0.023 0.000 1.245 770 Y CA 1.713 59.729 58.100 -0.141 0.000 1.485 770 Y CB 0.010 38.470 38.460 0.000 0.000 1.328 770 Y HN 1.065 nan 8.280 nan 0.000 0.603 771 G N 4.204 112.754 108.800 -0.416 0.000 2.362 771 G HA2 -0.039 3.923 3.960 0.003 0.000 0.656 771 G HA3 -0.039 3.923 3.960 0.003 0.000 0.656 771 G C -1.147 173.606 174.900 -0.246 0.000 1.376 771 G CA -1.117 43.864 45.100 -0.200 0.000 0.971 771 G HN 0.715 nan 8.290 nan 0.000 0.636 772 R N 0.679 120.977 120.500 -0.336 0.000 4.141 772 R HA 0.506 4.848 4.340 0.003 0.000 0.281 772 R C 0.940 177.185 176.300 -0.091 0.000 1.608 772 R CA 0.600 56.451 56.100 -0.415 0.000 1.426 772 R CB 0.082 30.059 30.300 -0.539 0.000 1.432 772 R HN 2.084 nan 8.270 nan 0.000 0.708 773 G N 0.134 108.928 108.800 -0.010 0.000 2.663 773 G HA2 -0.204 3.758 3.960 0.003 0.000 0.686 773 G HA3 -0.204 3.758 3.960 0.003 0.000 0.686 773 G C -0.569 174.407 174.900 0.127 0.000 1.246 773 G CA -1.093 44.073 45.100 0.110 0.000 0.795 773 G HN 0.120 nan 8.290 nan 0.000 0.627 774 T N 1.772 116.376 114.554 0.084 0.000 2.744 774 T HA 0.753 5.105 4.350 0.003 0.000 0.291 774 T C 1.079 175.761 174.700 -0.031 0.000 0.957 774 T CA 0.809 62.928 62.100 0.032 0.000 1.002 774 T CB 0.891 69.781 68.868 0.036 0.000 0.919 774 T HN 1.230 nan 8.240 nan 0.000 0.468 775 R N 0.000 120.420 120.500 -0.133 0.000 2.786 775 R HA 0.000 4.342 4.340 0.003 0.000 0.208 775 R CA 0.000 55.916 56.100 -0.307 0.000 0.921 775 R CB 0.000 30.038 30.300 -0.437 0.000 0.687 775 R HN 0.000 nan 8.270 nan 0.000 0.535