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 2ipc_1_C DATA FIRST_RESID 1 DATA SEQUENCE MLGLLRRLFD NNEREIARYY KQVVEPVNRL EAEVEKLPDL AAAYRELKEK DATA SEQUENCE HEKGASLDEL LPMAFALTRE SAKRYLGMRH FDVQLIGGAV LHEGKIAEMK DATA SEQUENCE TGEGKTLVAT LAVALNALTG KGVHVVTVND YLARRDAEWM GPVYRGLGLS DATA SEQUENCE VGVIQHASTP AERRKAYLAD VTYVTNSELG FDYLRDNMAI SPDQLVLRHD DATA SEQUENCE HPLHYAIIDE VDSILIDEAR TPLIISGPAE KATDLYYKMA EIAKKLERGL DATA SEQUENCE PAEPGVRKEP TGDYTVEEKN RSVHLTLQGI AKAEKLLGIE GLFSPENMEL DATA SEQUENCE AHMLIQAIRA KELYHRDRDY IVQDGQVIIV DEFTGRLMPG RRYGEGLHQA DATA SEQUENCE IEAKEGVRIE RENQTLATIT YQNFFRLYEK RAGMTGTAKT EEKEFQEIYG DATA SEQUENCE MDVVVVPTNR PVIRKDFPDV VYRTEKGKFY AVVEEIAEKY ERGQPVLVGT DATA SEQUENCE ISIEKSERLS QMLKEPRLYL PRLEMRLELF KKASQKQQGP EWERLRKLLE DATA SEQUENCE RPAQLKDEDL APFEGLIPPK GNLRTAWEGL KRAVHTLAVL RQGIPHQVLN DATA SEQUENCE AKHHAREAEI VAQAGRSKTV TIATNMAGRG TDIKLGGNPE YLAAALLEKE DATA SEQUENCE GFDRYEWKVE LFIKKMVAGK EEEARALAQE LGIREELLER IREIREECKQ DATA SEQUENCE DEERVRALGG LFIIGTERHE SRRIDNQLRG RAGRQGDPGG SRFYVSFDDD DATA SEQUENCE LMRLFASDRV IAMLDRMGFD DSEPIEHPMV TRSIERAQKR VEDRNFAIRK DATA SEQUENCE QLLQFDDVLS RQREVIYAQR RLILLGKDEE VKEAAIGMVE ETVASLAENF DATA SEQUENCE LNPEVHPEDW DLEGLKATLL DTAPQLQDFP FAELRALKAE EAVERLVEAA DATA SEQUENCE LKAYEAREAE LSPPLMRAVE RFVILNVVDN AWKEHLHNLD VLRQGIFLRG DATA SEQUENCE YGQKDPFQEY KIEATRLFNE MVAFIKSEVA KFLFRLKVE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.265 176.300 -0.059 0.000 1.140 1 M CA 0.000 55.248 55.300 -0.086 0.000 0.988 1 M CB 0.000 32.558 32.600 -0.070 0.000 1.302 2 L N 0.737 121.933 121.223 -0.044 0.000 2.488 2 L HA -0.392 3.949 4.340 0.001 0.000 0.235 2 L C 1.524 178.385 176.870 -0.016 0.000 1.170 2 L CA 2.766 57.591 54.840 -0.026 0.000 0.810 2 L CB -1.109 40.938 42.059 -0.020 0.000 1.014 2 L HN 0.947 nan 8.230 nan 0.000 0.417 3 G N -1.279 107.512 108.800 -0.015 0.000 2.556 3 G HA2 -0.157 3.804 3.960 0.001 0.000 0.215 3 G HA3 -0.157 3.804 3.960 0.001 0.000 0.215 3 G C 1.303 176.202 174.900 -0.001 0.000 1.258 3 G CA 0.920 46.017 45.100 -0.005 0.000 0.811 3 G HN 0.446 nan 8.290 nan 0.000 0.557 4 L N 0.030 121.249 121.223 -0.008 0.000 2.127 4 L HA 0.179 4.520 4.340 0.001 0.000 0.203 4 L C 2.939 179.809 176.870 -0.000 0.000 1.080 4 L CA 0.169 55.009 54.840 0.000 0.000 0.768 4 L CB -0.323 41.735 42.059 -0.002 0.000 0.924 4 L HN 0.175 nan 8.230 nan 0.000 0.444 5 L N -0.749 120.448 121.223 -0.043 0.000 1.994 5 L HA -0.170 4.171 4.340 0.001 0.000 0.208 5 L C 2.875 179.713 176.870 -0.053 0.000 1.071 5 L CA 0.973 55.752 54.840 -0.102 0.000 0.745 5 L CB -0.670 41.254 42.059 -0.225 0.000 0.892 5 L HN 0.230 nan 8.230 nan 0.000 0.431 6 R N 0.635 121.113 120.500 -0.038 0.000 2.105 6 R HA -0.136 4.205 4.340 0.001 0.000 0.239 6 R C 2.220 178.575 176.300 0.091 0.000 1.135 6 R CA 1.272 57.390 56.100 0.029 0.000 0.967 6 R CB -0.702 29.605 30.300 0.011 0.000 0.861 6 R HN 0.452 nan 8.270 nan 0.000 0.442 7 R N 0.078 120.619 120.500 0.069 0.000 2.235 7 R HA 0.043 4.384 4.340 0.001 0.000 0.213 7 R C 1.919 178.279 176.300 0.100 0.000 1.059 7 R CA 0.389 56.533 56.100 0.073 0.000 0.997 7 R CB -0.107 30.224 30.300 0.051 0.000 0.884 7 R HN 0.097 nan 8.270 nan 0.000 0.462 8 L N -0.453 120.864 121.223 0.157 0.000 2.416 8 L HA 0.106 4.447 4.340 0.001 0.000 0.216 8 L C 1.040 178.088 176.870 0.296 0.000 1.098 8 L CA 1.219 56.182 54.840 0.205 0.000 0.840 8 L CB -0.128 42.078 42.059 0.244 0.000 0.981 8 L HN 0.034 nan 8.230 nan 0.000 0.462 9 F N 0.515 120.461 119.950 -0.007 0.000 2.204 9 F HA 0.066 4.594 4.527 0.001 0.000 0.276 9 F C 1.088 176.880 175.800 -0.013 0.000 1.085 9 F CA 0.049 58.043 58.000 -0.010 0.000 1.160 9 F CB -0.402 38.593 39.000 -0.009 0.000 1.091 9 F HN 0.150 nan 8.300 nan 0.000 0.522 10 D N -1.802 118.701 120.400 0.172 0.000 2.506 10 D HA 0.214 4.855 4.640 0.001 0.000 0.254 10 D C 0.489 176.804 176.300 0.024 0.000 1.089 10 D CA -0.602 53.437 54.000 0.064 0.000 1.050 10 D CB 0.282 41.123 40.800 0.069 0.000 1.221 10 D HN -0.091 nan 8.370 nan 0.000 0.589 11 N N 0.305 119.005 118.700 -0.000 0.000 2.009 11 N HA -0.331 4.410 4.740 0.001 0.000 0.166 11 N C 0.445 175.939 175.510 -0.025 0.000 0.837 11 N CA 2.252 55.289 53.050 -0.021 0.000 0.866 11 N CB -0.884 37.597 38.487 -0.010 0.000 0.972 11 N HN 0.523 nan 8.380 nan 0.000 0.987 12 N N 0.317 119.013 118.700 -0.005 0.000 2.799 12 N HA -0.068 4.673 4.740 0.001 0.000 0.202 12 N C 0.320 175.836 175.510 0.009 0.000 1.502 12 N CA 0.497 53.548 53.050 0.002 0.000 0.957 12 N CB 0.129 38.628 38.487 0.019 0.000 1.148 12 N HN 0.419 nan 8.380 nan 0.000 0.455 13 E N -0.857 119.346 120.200 0.005 0.000 3.203 13 E HA 0.108 4.458 4.350 0.001 0.000 0.200 13 E C 1.444 178.051 176.600 0.011 0.000 1.089 13 E CA 0.071 56.485 56.400 0.023 0.000 1.430 13 E CB -0.218 29.506 29.700 0.041 0.000 1.328 13 E HN 0.136 nan 8.360 nan 0.000 0.580 14 R N 1.316 121.813 120.500 -0.005 0.000 2.148 14 R HA -0.062 4.279 4.340 0.001 0.000 0.227 14 R C 1.983 178.241 176.300 -0.071 0.000 1.103 14 R CA 1.137 57.225 56.100 -0.020 0.000 0.983 14 R CB 0.253 30.538 30.300 -0.026 0.000 0.874 14 R HN 0.057 nan 8.270 nan 0.000 0.451 15 E N 0.356 120.484 120.200 -0.119 0.000 2.028 15 E HA -0.182 4.169 4.350 0.001 0.000 0.191 15 E C 1.955 178.367 176.600 -0.314 0.000 0.988 15 E CA 1.042 57.278 56.400 -0.274 0.000 0.799 15 E CB -0.132 29.398 29.700 -0.283 0.000 0.755 15 E HN 0.224 nan 8.360 nan 0.000 0.447 16 I N 1.514 122.006 120.570 -0.130 0.000 2.248 16 I HA -0.286 3.885 4.170 0.001 0.000 0.248 16 I C 2.333 178.478 176.117 0.046 0.000 1.107 16 I CA 1.325 62.615 61.300 -0.018 0.000 1.373 16 I CB -0.595 37.419 38.000 0.024 0.000 1.055 16 I HN 0.022 nan 8.210 nan 0.000 0.418 17 A N -0.258 122.611 122.820 0.082 0.000 1.877 17 A HA -0.249 4.071 4.320 0.001 0.000 0.216 17 A C 2.438 180.110 177.584 0.147 0.000 1.186 17 A CA 1.899 54.042 52.037 0.176 0.000 0.620 17 A CB -0.562 18.501 19.000 0.105 0.000 0.822 17 A HN 0.303 nan 8.150 nan 0.000 0.443 18 R N -1.471 119.043 120.500 0.023 0.000 2.120 18 R HA -0.117 4.224 4.340 0.001 0.000 0.234 18 R C 1.717 178.081 176.300 0.107 0.000 1.123 18 R CA 1.458 57.567 56.100 0.014 0.000 0.975 18 R CB -0.782 29.465 30.300 -0.089 0.000 0.866 18 R HN 0.582 nan 8.270 nan 0.000 0.446 19 Y N -0.909 119.407 120.300 0.026 0.000 2.242 19 Y HA -0.154 4.396 4.550 0.001 0.000 0.291 19 Y C 1.879 177.807 175.900 0.046 0.000 1.137 19 Y CA 0.795 58.892 58.100 -0.004 0.000 1.181 19 Y CB -0.827 37.589 38.460 -0.074 0.000 0.989 19 Y HN 0.139 nan 8.280 nan 0.000 0.527 20 Y N 0.049 120.473 120.300 0.206 0.000 2.114 20 Y HA -0.280 4.271 4.550 0.001 0.000 0.284 20 Y C 2.573 178.530 175.900 0.095 0.000 1.143 20 Y CA 1.143 59.321 58.100 0.129 0.000 1.135 20 Y CB -0.018 38.500 38.460 0.097 0.000 0.980 20 Y HN -0.089 nan 8.280 nan 0.000 0.499 21 K N 0.254 120.810 120.400 0.260 0.000 2.009 21 K HA -0.229 4.092 4.320 0.001 0.000 0.210 21 K C 1.831 178.503 176.600 0.119 0.000 1.049 21 K CA 1.796 58.171 56.287 0.147 0.000 0.929 21 K CB -0.395 32.167 32.500 0.103 0.000 0.714 21 K HN 0.505 nan 8.250 nan 0.000 0.440 22 Q N -0.177 119.697 119.800 0.123 0.000 2.331 22 Q HA -0.023 4.317 4.340 0.001 0.000 0.203 22 Q C 1.846 177.890 176.000 0.073 0.000 0.944 22 Q CA 0.637 56.493 55.803 0.088 0.000 0.892 22 Q CB 0.508 29.299 28.738 0.088 0.000 0.983 22 Q HN 0.074 nan 8.270 nan 0.000 0.482 23 V N -1.383 118.594 119.914 0.105 0.000 3.001 23 V HA -0.068 4.053 4.120 0.001 0.000 0.228 23 V C 1.977 178.142 176.094 0.118 0.000 1.204 23 V CA 0.385 62.720 62.300 0.058 0.000 1.247 23 V CB -0.185 31.642 31.823 0.007 0.000 1.093 23 V HN -0.003 nan 8.190 nan 0.000 0.504 24 V N 0.576 120.602 119.914 0.186 0.000 2.214 24 V HA -0.350 3.771 4.120 0.001 0.000 0.247 24 V C 2.376 178.584 176.094 0.190 0.000 1.051 24 V CA 2.718 65.164 62.300 0.243 0.000 1.003 24 V CB -0.863 31.232 31.823 0.454 0.000 0.635 24 V HN 0.588 nan 8.190 nan 0.000 0.447 25 E N -0.037 120.268 120.200 0.176 0.000 2.070 25 E HA -0.216 4.135 4.350 0.001 0.000 0.197 25 E C 0.044 176.691 176.600 0.078 0.000 1.004 25 E CA 2.153 58.614 56.400 0.102 0.000 0.805 25 E CB -1.102 28.643 29.700 0.075 0.000 0.744 25 E HN 0.546 nan 8.360 nan 0.000 0.451 26 P HA -0.144 nan 4.420 nan 0.000 0.215 26 P C 1.356 178.690 177.300 0.057 0.000 1.157 26 P CA 1.030 64.162 63.100 0.053 0.000 0.863 26 P CB 0.100 31.824 31.700 0.041 0.000 0.787 27 V N 0.150 120.111 119.914 0.078 0.000 2.594 27 V HA -0.211 3.910 4.120 0.001 0.000 0.253 27 V C 1.994 178.131 176.094 0.073 0.000 1.069 27 V CA 1.731 64.084 62.300 0.088 0.000 1.082 27 V CB -1.137 30.774 31.823 0.146 0.000 0.680 27 V HN 0.189 nan 8.190 nan 0.000 0.469 28 N N 0.192 118.938 118.700 0.076 0.000 2.250 28 N HA -0.060 4.681 4.740 0.001 0.000 0.181 28 N C 1.934 177.470 175.510 0.043 0.000 1.017 28 N CA 0.691 53.777 53.050 0.061 0.000 0.866 28 N CB -0.247 38.281 38.487 0.068 0.000 0.985 28 N HN 0.352 nan 8.380 nan 0.000 0.429 29 R N 1.068 121.592 120.500 0.041 0.000 2.152 29 R HA 0.036 4.377 4.340 0.001 0.000 0.232 29 R C 1.612 177.928 176.300 0.026 0.000 1.117 29 R CA 0.531 56.649 56.100 0.030 0.000 0.981 29 R CB -0.753 29.563 30.300 0.028 0.000 0.870 29 R HN 0.334 nan 8.270 nan 0.000 0.451 30 L N 0.342 121.583 121.223 0.030 0.000 2.700 30 L HA 0.219 4.560 4.340 0.001 0.000 0.234 30 L C 2.016 178.899 176.870 0.023 0.000 1.156 30 L CA -0.058 54.798 54.840 0.026 0.000 0.946 30 L CB -0.074 42.002 42.059 0.029 0.000 1.216 30 L HN 0.124 nan 8.230 nan 0.000 0.493 31 E N 1.578 121.792 120.200 0.022 0.000 2.107 31 E HA -0.178 4.173 4.350 0.001 0.000 0.191 31 E C 2.224 178.830 176.600 0.010 0.000 0.982 31 E CA 1.096 57.504 56.400 0.014 0.000 0.809 31 E CB 0.202 29.911 29.700 0.015 0.000 0.756 31 E HN 0.473 nan 8.360 nan 0.000 0.459 32 A N 1.425 124.252 122.820 0.013 0.000 1.841 32 A HA -0.277 4.044 4.320 0.001 0.000 0.216 32 A C 1.956 179.547 177.584 0.011 0.000 1.199 32 A CA 2.016 54.059 52.037 0.011 0.000 0.621 32 A CB -0.789 18.218 19.000 0.012 0.000 0.835 32 A HN 0.319 nan 8.150 nan 0.000 0.445 33 E N -0.423 119.785 120.200 0.013 0.000 2.033 33 E HA -0.171 4.180 4.350 0.001 0.000 0.199 33 E C 1.916 178.526 176.600 0.016 0.000 1.011 33 E CA 1.683 58.092 56.400 0.015 0.000 0.815 33 E CB -0.521 29.189 29.700 0.016 0.000 0.755 33 E HN 0.318 nan 8.360 nan 0.000 0.451 34 V N 1.679 121.603 119.914 0.017 0.000 2.469 34 V HA -0.292 3.829 4.120 0.001 0.000 0.251 34 V C 2.283 178.386 176.094 0.014 0.000 1.064 34 V CA 2.245 64.556 62.300 0.019 0.000 1.066 34 V CB -0.878 30.956 31.823 0.018 0.000 0.667 34 V HN 0.439 nan 8.190 nan 0.000 0.461 35 E N 0.638 120.842 120.200 0.006 0.000 2.418 35 E HA -0.160 4.191 4.350 0.001 0.000 0.197 35 E C 1.522 178.124 176.600 0.003 0.000 1.026 35 E CA 0.881 57.280 56.400 -0.002 0.000 0.862 35 E CB -0.205 29.491 29.700 -0.007 0.000 0.799 35 E HN 0.523 nan 8.360 nan 0.000 0.518 36 K N 0.942 121.347 120.400 0.009 0.000 2.684 36 K HA 0.283 4.604 4.320 0.001 0.000 0.215 36 K C -0.716 175.895 176.600 0.018 0.000 1.073 36 K CA -0.160 56.134 56.287 0.012 0.000 1.197 36 K CB 0.303 32.809 32.500 0.011 0.000 0.955 36 K HN 0.147 nan 8.250 nan 0.000 0.473 37 L N 0.776 122.013 121.223 0.023 0.000 2.305 37 L HA 0.287 4.628 4.340 0.001 0.000 0.284 37 L C -1.768 175.127 176.870 0.042 0.000 1.013 37 L CA -1.996 52.864 54.840 0.034 0.000 0.819 37 L CB 1.636 43.720 42.059 0.043 0.000 1.227 37 L HN -0.084 nan 8.230 nan 0.000 0.417 38 P HA -0.060 nan 4.420 nan 0.000 0.217 38 P C -0.422 176.924 177.300 0.077 0.000 1.150 38 P CA 1.028 64.158 63.100 0.050 0.000 0.832 38 P CB 0.269 31.992 31.700 0.039 0.000 0.787 39 D N -1.921 118.527 120.400 0.079 0.000 2.620 39 D HA 0.242 4.883 4.640 0.001 0.000 0.252 39 D C 0.423 176.787 176.300 0.108 0.000 1.207 39 D CA -0.357 53.704 54.000 0.102 0.000 0.884 39 D CB 0.979 41.826 40.800 0.079 0.000 1.262 39 D HN -0.280 nan 8.370 nan 0.000 0.552 40 L N 2.526 123.833 121.223 0.140 0.000 2.270 40 L HA 0.228 4.569 4.340 0.001 0.000 0.210 40 L C 2.355 179.309 176.870 0.139 0.000 1.104 40 L CA 0.787 55.707 54.840 0.135 0.000 0.804 40 L CB -0.463 41.689 42.059 0.155 0.000 0.937 40 L HN 0.476 nan 8.230 nan 0.000 0.450 41 A N 0.569 123.459 122.820 0.116 0.000 1.865 41 A HA -0.185 4.136 4.320 0.001 0.000 0.217 41 A C 2.591 180.262 177.584 0.147 0.000 1.191 41 A CA 2.006 54.111 52.037 0.115 0.000 0.623 41 A CB -1.058 17.981 19.000 0.065 0.000 0.826 41 A HN 0.353 nan 8.150 nan 0.000 0.444 42 A N -0.202 122.680 122.820 0.104 0.000 1.917 42 A HA 0.057 4.378 4.320 0.001 0.000 0.219 42 A C 2.532 180.169 177.584 0.088 0.000 1.182 42 A CA 2.558 54.645 52.037 0.084 0.000 0.633 42 A CB -1.144 17.893 19.000 0.063 0.000 0.819 42 A HN 1.196 nan 8.150 nan 0.000 0.448 43 A N -1.797 121.085 122.820 0.102 0.000 1.902 43 A HA -0.121 4.200 4.320 0.001 0.000 0.217 43 A C 2.162 179.812 177.584 0.109 0.000 1.181 43 A CA 1.757 53.849 52.037 0.093 0.000 0.623 43 A CB -0.782 18.276 19.000 0.098 0.000 0.818 43 A HN 0.700 nan 8.150 nan 0.000 0.443 44 Y N 0.460 120.780 120.300 0.033 0.000 2.133 44 Y HA -0.179 4.372 4.550 0.001 0.000 0.287 44 Y C 2.523 178.444 175.900 0.035 0.000 1.134 44 Y CA 2.023 60.143 58.100 0.034 0.000 1.133 44 Y CB -0.353 38.129 38.460 0.037 0.000 0.987 44 Y HN 0.264 nan 8.280 nan 0.000 0.502 45 R N 0.042 120.594 120.500 0.087 0.000 2.139 45 R HA -0.232 4.109 4.340 0.001 0.000 0.243 45 R C 2.256 178.529 176.300 -0.045 0.000 1.145 45 R CA 1.770 57.879 56.100 0.015 0.000 0.976 45 R CB -0.344 29.995 30.300 0.064 0.000 0.866 45 R HN 0.530 nan 8.270 nan 0.000 0.449 46 E N 0.590 120.774 120.200 -0.026 0.000 2.107 46 E HA -0.175 4.176 4.350 0.001 0.000 0.191 46 E C 1.755 178.317 176.600 -0.062 0.000 0.982 46 E CA 0.679 57.062 56.400 -0.028 0.000 0.809 46 E CB 0.039 29.738 29.700 -0.002 0.000 0.756 46 E HN 0.128 nan 8.360 nan 0.000 0.459 47 L N 1.554 122.709 121.223 -0.113 0.000 2.083 47 L HA -0.127 4.214 4.340 0.001 0.000 0.209 47 L C 2.368 179.152 176.870 -0.143 0.000 1.083 47 L CA 1.710 56.467 54.840 -0.138 0.000 0.752 47 L CB -0.388 41.547 42.059 -0.206 0.000 0.899 47 L HN 0.062 nan 8.230 nan 0.000 0.433 48 K N -0.643 119.625 120.400 -0.220 0.000 2.103 48 K HA -0.273 4.048 4.320 0.001 0.000 0.207 48 K C 2.063 178.639 176.600 -0.041 0.000 1.048 48 K CA 1.773 57.984 56.287 -0.126 0.000 0.930 48 K CB 0.027 32.441 32.500 -0.144 0.000 0.716 48 K HN 0.373 nan 8.250 nan 0.000 0.444 49 E N 0.652 120.820 120.200 -0.054 0.000 2.046 49 E HA -0.178 4.173 4.350 0.001 0.000 0.190 49 E C 1.757 178.333 176.600 -0.041 0.000 0.982 49 E CA 1.421 57.794 56.400 -0.045 0.000 0.800 49 E CB 0.083 29.762 29.700 -0.034 0.000 0.756 49 E HN 0.091 nan 8.360 nan 0.000 0.449 50 K N -0.153 120.232 120.400 -0.025 0.000 2.044 50 K HA -0.227 4.094 4.320 0.001 0.000 0.210 50 K C 2.258 178.867 176.600 0.014 0.000 1.049 50 K CA 1.950 58.232 56.287 -0.008 0.000 0.927 50 K CB -0.453 32.044 32.500 -0.005 0.000 0.713 50 K HN 0.397 nan 8.250 nan 0.000 0.443 51 H N 0.191 119.222 119.070 -0.066 0.000 2.357 51 H HA -0.036 4.521 4.556 0.001 0.000 0.301 51 H C 1.207 176.509 175.328 -0.044 0.000 1.082 51 H CA 1.461 57.474 56.048 -0.058 0.000 1.342 51 H CB 0.271 29.988 29.762 -0.076 0.000 1.389 51 H HN 0.282 nan 8.280 nan 0.000 0.511 52 E N 0.446 120.451 120.200 -0.326 0.000 2.472 52 E HA -0.090 4.261 4.350 0.001 0.000 0.200 52 E C 1.741 178.224 176.600 -0.195 0.000 1.046 52 E CA 0.174 56.370 56.400 -0.341 0.000 0.871 52 E CB 0.189 29.779 29.700 -0.184 0.000 0.806 52 E HN 0.390 nan 8.360 nan 0.000 0.533 53 K N -0.701 119.621 120.400 -0.131 0.000 2.404 53 K HA 0.023 4.344 4.320 0.001 0.000 0.194 53 K C 0.742 177.301 176.600 -0.069 0.000 1.023 53 K CA 0.550 56.791 56.287 -0.077 0.000 1.094 53 K CB 0.627 33.100 32.500 -0.045 0.000 0.841 53 K HN 0.217 nan 8.250 nan 0.000 0.523 54 G N 0.160 108.903 108.800 -0.096 0.000 2.175 54 G HA2 -0.194 3.767 3.960 0.001 0.000 0.182 54 G HA3 -0.194 3.767 3.960 0.001 0.000 0.182 54 G C -0.083 174.820 174.900 0.004 0.000 1.003 54 G CA -0.097 44.972 45.100 -0.052 0.000 0.666 54 G HN 0.351 nan 8.290 nan 0.000 0.506 55 A N 1.165 124.003 122.820 0.029 0.000 2.396 55 A HA 0.699 5.020 4.320 0.001 0.000 0.279 55 A C 1.142 178.802 177.584 0.126 0.000 1.165 55 A CA 0.885 52.958 52.037 0.061 0.000 0.824 55 A CB 0.140 19.169 19.000 0.049 0.000 1.100 55 A HN 2.030 nan 8.150 nan 0.000 0.516 56 S N 2.487 118.235 115.700 0.079 0.000 2.559 56 S HA 0.082 4.553 4.470 0.001 0.000 0.282 56 S C 0.870 175.492 174.600 0.038 0.000 1.336 56 S CA -0.031 58.215 58.200 0.076 0.000 1.037 56 S CB 0.117 63.341 63.200 0.041 0.000 0.853 56 S HN 0.546 nan 8.310 nan 0.000 0.523 57 L N 1.336 122.560 121.223 0.001 0.000 2.291 57 L HA -0.020 4.321 4.340 0.001 0.000 0.214 57 L C 2.346 179.187 176.870 -0.049 0.000 1.120 57 L CA 1.306 56.086 54.840 -0.100 0.000 0.799 57 L CB -0.472 41.532 42.059 -0.091 0.000 0.925 57 L HN 0.722 nan 8.230 nan 0.000 0.446 58 D N -0.080 120.344 120.400 0.039 0.000 2.091 58 D HA -0.171 4.469 4.640 0.001 0.000 0.199 58 D C 1.985 178.268 176.300 -0.029 0.000 0.980 58 D CA 1.201 55.229 54.000 0.046 0.000 0.831 58 D CB 0.049 40.876 40.800 0.044 0.000 0.987 58 D HN 0.417 nan 8.370 nan 0.000 0.460 59 E N 0.499 120.688 120.200 -0.018 0.000 2.118 59 E HA -0.108 4.242 4.350 0.001 0.000 0.195 59 E C 2.235 178.808 176.600 -0.045 0.000 0.992 59 E CA 0.419 56.804 56.400 -0.024 0.000 0.804 59 E CB -0.011 29.686 29.700 -0.006 0.000 0.741 59 E HN 0.235 nan 8.360 nan 0.000 0.458 60 L N 0.757 121.944 121.223 -0.060 0.000 2.478 60 L HA -0.094 4.247 4.340 0.001 0.000 0.223 60 L C 2.245 179.051 176.870 -0.107 0.000 1.140 60 L CA -0.194 54.604 54.840 -0.069 0.000 0.842 60 L CB -0.149 41.866 42.059 -0.074 0.000 0.953 60 L HN 0.225 nan 8.230 nan 0.000 0.452 61 L N 1.270 122.384 121.223 -0.181 0.000 1.991 61 L HA -0.202 4.139 4.340 0.001 0.000 0.221 61 L C -0.497 176.218 176.870 -0.258 0.000 1.079 61 L CA 2.481 57.125 54.840 -0.328 0.000 0.778 61 L CB -1.656 40.149 42.059 -0.423 0.000 0.893 61 L HN 0.074 nan 8.230 nan 0.000 0.437 62 P HA -0.216 nan 4.420 nan 0.000 0.215 62 P C 2.063 179.381 177.300 0.030 0.000 1.163 62 P CA 1.826 64.896 63.100 -0.051 0.000 0.894 62 P CB -0.166 31.517 31.700 -0.027 0.000 0.791 63 M N -1.102 118.507 119.600 0.015 0.000 2.082 63 M HA -0.177 4.304 4.480 0.001 0.000 0.258 63 M C 2.177 178.527 176.300 0.082 0.000 1.071 63 M CA 2.354 57.678 55.300 0.040 0.000 1.103 63 M CB -1.972 30.640 32.600 0.021 0.000 1.307 63 M HN -0.108 nan 8.290 nan 0.000 0.409 64 A N 0.000 122.873 122.820 0.088 0.000 1.884 64 A HA -0.234 4.087 4.320 0.001 0.000 0.219 64 A C 2.043 179.769 177.584 0.237 0.000 1.197 64 A CA 1.879 54.018 52.037 0.169 0.000 0.637 64 A CB -1.141 17.944 19.000 0.143 0.000 0.827 64 A HN 0.383 nan 8.150 nan 0.000 0.450 65 F N 0.036 119.962 119.950 -0.041 0.000 2.069 65 F HA -0.141 4.387 4.527 0.001 0.000 0.298 65 F C 2.895 178.632 175.800 -0.104 0.000 1.113 65 F CA 0.676 58.632 58.000 -0.072 0.000 1.214 65 F CB -1.100 37.866 39.000 -0.057 0.000 0.978 65 F HN 0.282 nan 8.300 nan 0.000 0.474 66 A N 0.129 123.029 122.820 0.133 0.000 1.892 66 A HA -0.199 4.122 4.320 0.001 0.000 0.218 66 A C 2.373 179.941 177.584 -0.027 0.000 1.188 66 A CA 1.834 53.889 52.037 0.029 0.000 0.631 66 A CB -1.202 17.826 19.000 0.047 0.000 0.822 66 A HN 0.408 nan 8.150 nan 0.000 0.447 67 L N -0.693 120.540 121.223 0.017 0.000 2.083 67 L HA -0.166 4.175 4.340 0.001 0.000 0.209 67 L C 2.756 179.589 176.870 -0.061 0.000 1.083 67 L CA 1.812 56.661 54.840 0.015 0.000 0.752 67 L CB -0.972 41.144 42.059 0.095 0.000 0.899 67 L HN 0.415 nan 8.230 nan 0.000 0.433 68 T N -1.152 113.328 114.554 -0.122 0.000 2.821 68 T HA -0.195 4.156 4.350 0.001 0.000 0.267 68 T C 1.945 176.376 174.700 -0.448 0.000 1.046 68 T CA 1.087 63.033 62.100 -0.258 0.000 1.139 68 T CB -0.202 68.491 68.868 -0.293 0.000 0.871 68 T HN 0.282 nan 8.240 nan 0.000 0.454 69 R N 1.099 121.269 120.500 -0.549 0.000 2.073 69 R HA -0.121 4.220 4.340 0.001 0.000 0.234 69 R C 2.413 178.513 176.300 -0.334 0.000 1.134 69 R CA 1.596 57.275 56.100 -0.702 0.000 0.952 69 R CB -0.173 29.848 30.300 -0.464 0.000 0.850 69 R HN 0.218 nan 8.270 nan 0.000 0.433 70 E N 0.326 120.411 120.200 -0.192 0.000 2.077 70 E HA -0.143 4.208 4.350 0.001 0.000 0.193 70 E C 1.876 178.423 176.600 -0.089 0.000 0.989 70 E CA 1.891 58.225 56.400 -0.110 0.000 0.800 70 E CB -0.007 29.659 29.700 -0.056 0.000 0.746 70 E HN 0.489 nan 8.360 nan 0.000 0.452 71 S N -0.186 115.488 115.700 -0.044 0.000 2.402 71 S HA -0.084 4.387 4.470 0.001 0.000 0.229 71 S C 2.206 176.837 174.600 0.051 0.000 1.021 71 S CA 0.936 59.207 58.200 0.119 0.000 0.974 71 S CB -0.372 62.889 63.200 0.101 0.000 0.800 71 S HN 0.327 nan 8.310 nan 0.000 0.484 72 A N 2.217 124.973 122.820 -0.107 0.000 1.930 72 A HA 0.010 4.331 4.320 0.001 0.000 0.217 72 A C 2.222 179.732 177.584 -0.123 0.000 1.175 72 A CA 1.542 53.502 52.037 -0.127 0.000 0.627 72 A CB -0.619 18.320 19.000 -0.103 0.000 0.815 72 A HN 0.562 nan 8.150 nan 0.000 0.443 73 K N -0.447 119.876 120.400 -0.128 0.000 2.097 73 K HA -0.118 4.203 4.320 0.001 0.000 0.205 73 K C 2.243 178.753 176.600 -0.149 0.000 1.050 73 K CA 1.258 57.474 56.287 -0.118 0.000 0.938 73 K CB -0.103 32.336 32.500 -0.102 0.000 0.718 73 K HN 0.473 nan 8.250 nan 0.000 0.442 74 R N -0.970 119.387 120.500 -0.238 0.000 2.057 74 R HA -0.039 4.302 4.340 0.001 0.000 0.224 74 R C 1.978 178.028 176.300 -0.417 0.000 1.136 74 R CA 1.357 57.206 56.100 -0.419 0.000 0.968 74 R CB -0.241 29.591 30.300 -0.780 0.000 0.863 74 R HN 0.250 nan 8.270 nan 0.000 0.433 75 Y N -0.634 119.663 120.300 -0.006 0.000 2.511 75 Y HA 0.082 4.633 4.550 0.001 0.000 0.279 75 Y C 1.580 177.312 175.900 -0.280 0.000 1.157 75 Y CA 0.100 58.149 58.100 -0.084 0.000 1.300 75 Y CB 0.385 38.772 38.460 -0.122 0.000 1.052 75 Y HN 0.017 nan 8.280 nan 0.000 0.529 76 L N -1.668 119.481 121.223 -0.123 0.000 2.758 76 L HA 0.456 4.797 4.340 0.001 0.000 0.234 76 L C 1.449 178.239 176.870 -0.133 0.000 1.049 76 L CA 1.203 55.934 54.840 -0.183 0.000 0.908 76 L CB 0.422 42.324 42.059 -0.260 0.000 1.362 76 L HN 0.094 nan 8.230 nan 0.000 0.499 77 G N 0.633 109.363 108.800 -0.115 0.000 2.165 77 G HA2 -0.209 3.752 3.960 0.001 0.000 0.226 77 G HA3 -0.209 3.752 3.960 0.001 0.000 0.226 77 G C 0.096 174.948 174.900 -0.081 0.000 1.035 77 G CA 0.410 45.462 45.100 -0.081 0.000 0.744 77 G HN 0.154 nan 8.290 nan 0.000 0.501 78 M N 0.786 120.314 119.600 -0.120 0.000 2.090 78 M HA 0.393 4.874 4.480 0.001 0.000 0.277 78 M C 0.131 176.344 176.300 -0.144 0.000 0.935 78 M CA -0.559 54.651 55.300 -0.150 0.000 0.966 78 M CB 1.002 33.449 32.600 -0.255 0.000 1.635 78 M HN 0.270 nan 8.290 nan 0.000 0.446 79 R N 3.033 123.477 120.500 -0.094 0.000 2.442 79 R HA 0.221 4.562 4.340 0.001 0.000 0.291 79 R C -0.241 175.966 176.300 -0.156 0.000 1.069 79 R CA -0.229 55.840 56.100 -0.052 0.000 1.022 79 R CB 0.360 30.678 30.300 0.029 0.000 0.976 79 R HN 0.601 nan 8.270 nan 0.000 0.443 80 H N 3.833 122.716 119.070 -0.313 0.000 3.026 80 H HA -0.013 4.544 4.556 0.001 0.000 0.289 80 H C 0.147 175.371 175.328 -0.174 0.000 1.022 80 H CA -0.186 55.632 56.048 -0.383 0.000 1.477 80 H CB 0.239 29.823 29.762 -0.298 0.000 1.510 80 H HN 0.351 nan 8.280 nan 0.000 0.535 81 F N 2.040 122.011 119.950 0.035 0.000 2.545 81 F HA -0.121 4.407 4.527 0.001 0.000 0.348 81 F C 1.547 177.383 175.800 0.061 0.000 1.163 81 F CA -0.780 57.243 58.000 0.038 0.000 1.331 81 F CB 0.491 39.499 39.000 0.013 0.000 1.138 81 F HN 0.546 nan 8.300 nan 0.000 0.602 82 D N 0.862 121.445 120.400 0.305 0.000 2.149 82 D HA -0.201 4.440 4.640 0.001 0.000 0.194 82 D C 2.256 178.662 176.300 0.177 0.000 1.001 82 D CA 1.925 56.081 54.000 0.261 0.000 0.849 82 D CB -0.369 40.647 40.800 0.361 0.000 0.939 82 D HN 0.397 nan 8.370 nan 0.000 0.449 83 V N -1.433 118.577 119.914 0.160 0.000 2.427 83 V HA -0.236 3.885 4.120 0.001 0.000 0.248 83 V C 1.899 178.011 176.094 0.029 0.000 1.051 83 V CA 1.392 63.721 62.300 0.048 0.000 1.048 83 V CB -0.803 31.059 31.823 0.066 0.000 0.666 83 V HN 0.158 nan 8.190 nan 0.000 0.456 84 Q N 0.227 120.066 119.800 0.064 0.000 2.170 84 Q HA -0.049 4.291 4.340 0.001 0.000 0.203 84 Q C 2.319 178.290 176.000 -0.048 0.000 0.976 84 Q CA 1.875 57.654 55.803 -0.040 0.000 0.858 84 Q CB -0.307 28.334 28.738 -0.161 0.000 0.907 84 Q HN 0.645 nan 8.270 nan 0.000 0.433 85 L N 0.039 121.278 121.223 0.027 0.000 2.201 85 L HA -0.151 4.190 4.340 0.001 0.000 0.212 85 L C 2.232 179.197 176.870 0.159 0.000 1.105 85 L CA 0.712 55.616 54.840 0.107 0.000 0.775 85 L CB -0.267 41.913 42.059 0.201 0.000 0.913 85 L HN 0.264 nan 8.230 nan 0.000 0.440 86 I N -0.249 120.316 120.570 -0.009 0.000 2.277 86 I HA -0.153 4.018 4.170 0.001 0.000 0.243 86 I C 2.596 178.606 176.117 -0.179 0.000 1.094 86 I CA 1.233 62.427 61.300 -0.176 0.000 1.393 86 I CB -0.529 37.353 38.000 -0.196 0.000 1.078 86 I HN 0.234 nan 8.210 nan 0.000 0.417 87 G N 0.483 109.230 108.800 -0.088 0.000 2.513 87 G HA2 -0.286 3.675 3.960 0.001 0.000 0.219 87 G HA3 -0.286 3.675 3.960 0.001 0.000 0.219 87 G C 1.641 176.522 174.900 -0.031 0.000 1.160 87 G CA 1.005 46.063 45.100 -0.069 0.000 0.767 87 G HN 0.514 nan 8.290 nan 0.000 0.571 88 G N 1.206 110.023 108.800 0.027 0.000 2.514 88 G HA2 -0.037 3.924 3.960 0.001 0.000 0.217 88 G HA3 -0.037 3.924 3.960 0.001 0.000 0.217 88 G C 2.115 177.235 174.900 0.366 0.000 1.198 88 G CA 1.916 47.133 45.100 0.196 0.000 0.780 88 G HN 0.753 nan 8.290 nan 0.000 0.565 89 A N 0.057 123.020 122.820 0.237 0.000 1.873 89 A HA -0.033 4.288 4.320 0.001 0.000 0.218 89 A C 2.647 180.167 177.584 -0.105 0.000 1.193 89 A CA 2.339 54.333 52.037 -0.072 0.000 0.629 89 A CB -0.924 17.835 19.000 -0.401 0.000 0.826 89 A HN 0.378 nan 8.150 nan 0.000 0.447 90 V N -0.004 119.767 119.914 -0.239 0.000 2.324 90 V HA -0.308 3.813 4.120 0.001 0.000 0.250 90 V C 2.561 178.663 176.094 0.014 0.000 1.060 90 V CA 2.076 64.326 62.300 -0.083 0.000 1.042 90 V CB -0.866 30.928 31.823 -0.049 0.000 0.650 90 V HN 0.566 nan 8.190 nan 0.000 0.450 91 L N -0.628 120.624 121.223 0.048 0.000 1.989 91 L HA -0.262 4.079 4.340 0.001 0.000 0.211 91 L C 2.667 179.669 176.870 0.220 0.000 1.071 91 L CA 2.328 57.234 54.840 0.110 0.000 0.749 91 L CB -0.812 41.323 42.059 0.127 0.000 0.890 91 L HN 0.490 nan 8.230 nan 0.000 0.431 92 H N 0.414 119.557 119.070 0.121 0.000 2.422 92 H HA -0.161 4.396 4.556 0.001 0.000 0.298 92 H C 1.457 176.775 175.328 -0.016 0.000 1.098 92 H CA 1.362 57.430 56.048 0.033 0.000 1.315 92 H CB 0.282 30.031 29.762 -0.021 0.000 1.382 92 H HN 0.473 nan 8.280 nan 0.000 0.523 93 E N 0.158 120.280 120.200 -0.131 0.000 2.526 93 E HA 0.018 4.369 4.350 0.001 0.000 0.198 93 E C 0.821 177.370 176.600 -0.085 0.000 1.091 93 E CA 0.350 56.654 56.400 -0.160 0.000 0.880 93 E CB -0.014 29.683 29.700 -0.004 0.000 0.873 93 E HN 0.652 nan 8.360 nan 0.000 0.527 94 G N 2.175 110.961 108.800 -0.023 0.000 2.351 94 G HA2 -0.303 3.658 3.960 0.001 0.000 0.297 94 G HA3 -0.303 3.658 3.960 0.001 0.000 0.297 94 G C -0.202 174.702 174.900 0.006 0.000 1.054 94 G CA 0.823 45.944 45.100 0.035 0.000 1.123 94 G HN 0.206 nan 8.290 nan 0.000 0.512 95 K N -1.144 119.255 120.400 -0.001 0.000 2.283 95 K HA 0.746 5.067 4.320 0.001 0.000 0.257 95 K C 0.014 176.572 176.600 -0.071 0.000 1.066 95 K CA -1.171 55.107 56.287 -0.015 0.000 0.891 95 K CB 1.534 34.054 32.500 0.034 0.000 1.438 95 K HN 0.105 nan 8.250 nan 0.000 0.464 96 I N 1.729 122.251 120.570 -0.080 0.000 2.339 96 I HA 0.318 4.489 4.170 0.001 0.000 0.290 96 I C -0.556 175.524 176.117 -0.060 0.000 0.994 96 I CA -0.729 60.486 61.300 -0.142 0.000 1.191 96 I CB 1.626 39.480 38.000 -0.243 0.000 1.343 96 I HN 0.578 nan 8.210 nan 0.000 0.458 97 A N 6.120 128.900 122.820 -0.068 0.000 2.260 97 A HA 0.363 4.684 4.320 0.001 0.000 0.308 97 A C -0.150 177.412 177.584 -0.037 0.000 1.254 97 A CA -0.451 51.567 52.037 -0.032 0.000 0.874 97 A CB 0.529 19.504 19.000 -0.041 0.000 1.153 97 A HN 0.775 nan 8.150 nan 0.000 0.527 98 E N 2.817 123.013 120.200 -0.008 0.000 2.115 98 E HA 0.569 4.920 4.350 0.001 0.000 0.282 98 E C -1.114 175.485 176.600 -0.002 0.000 0.987 98 E CA -0.115 56.283 56.400 -0.004 0.000 0.797 98 E CB 0.597 30.308 29.700 0.018 0.000 1.086 98 E HN 0.703 nan 8.360 nan 0.000 0.397 99 M N 4.256 123.851 119.600 -0.009 0.000 2.324 99 M HA 0.232 4.713 4.480 0.001 0.000 0.288 99 M C 0.544 176.844 176.300 0.001 0.000 1.097 99 M CA -0.916 54.383 55.300 -0.002 0.000 0.928 99 M CB 1.953 34.548 32.600 -0.008 0.000 1.648 99 M HN 0.315 nan 8.290 nan 0.000 0.460 100 K N 0.626 121.031 120.400 0.008 0.000 1.987 100 K HA -0.036 4.285 4.320 0.001 0.000 0.216 100 K C 0.607 177.215 176.600 0.013 0.000 1.051 100 K CA 1.461 57.753 56.287 0.009 0.000 0.942 100 K CB -0.422 32.085 32.500 0.011 0.000 0.722 100 K HN 0.828 nan 8.250 nan 0.000 0.444 101 T N -2.227 112.340 114.554 0.023 0.000 2.879 101 T HA 0.559 4.909 4.350 0.001 0.000 0.290 101 T C 0.879 175.604 174.700 0.042 0.000 0.993 101 T CA -0.304 61.813 62.100 0.028 0.000 0.975 101 T CB 2.066 70.952 68.868 0.030 0.000 0.981 101 T HN 0.393 nan 8.240 nan 0.000 0.439 102 G N 4.294 113.116 108.800 0.035 0.000 2.669 102 G HA2 -0.486 3.475 3.960 0.001 0.000 0.365 102 G HA3 -0.486 3.475 3.960 0.001 0.000 0.365 102 G C 1.107 176.054 174.900 0.080 0.000 1.119 102 G CA 1.571 46.699 45.100 0.047 0.000 0.908 102 G HN 1.161 nan 8.290 nan 0.000 0.615 103 E N 0.512 120.789 120.200 0.129 0.000 2.164 103 E HA -0.143 4.208 4.350 0.001 0.000 0.206 103 E C 2.574 179.228 176.600 0.089 0.000 1.032 103 E CA 1.986 58.518 56.400 0.221 0.000 0.832 103 E CB -1.135 28.745 29.700 0.300 0.000 0.742 103 E HN 0.895 nan 8.360 nan 0.000 0.460 104 G N 1.552 110.386 108.800 0.056 0.000 2.505 104 G HA2 -0.334 3.626 3.960 0.001 0.000 0.220 104 G HA3 -0.334 3.626 3.960 0.001 0.000 0.220 104 G C 1.531 176.397 174.900 -0.056 0.000 1.145 104 G CA 1.324 46.424 45.100 -0.000 0.000 0.761 104 G HN 0.233 nan 8.290 nan 0.000 0.571 105 K N -0.193 120.197 120.400 -0.017 0.000 2.026 105 K HA -0.081 4.240 4.320 0.001 0.000 0.208 105 K C 2.885 179.458 176.600 -0.045 0.000 1.048 105 K CA 1.732 57.998 56.287 -0.034 0.000 0.929 105 K CB -0.421 32.070 32.500 -0.015 0.000 0.713 105 K HN 0.305 nan 8.250 nan 0.000 0.439 106 T N 2.059 116.620 114.554 0.011 0.000 2.652 106 T HA -0.188 4.163 4.350 0.001 0.000 0.267 106 T C 1.761 176.384 174.700 -0.127 0.000 1.039 106 T CA 1.313 63.428 62.100 0.027 0.000 1.153 106 T CB -0.358 68.634 68.868 0.206 0.000 0.863 106 T HN 0.070 nan 8.240 nan 0.000 0.428 107 L N 1.276 122.328 121.223 -0.284 0.000 2.083 107 L HA -0.001 4.340 4.340 0.001 0.000 0.209 107 L C 2.441 179.037 176.870 -0.456 0.000 1.083 107 L CA 1.223 55.772 54.840 -0.484 0.000 0.752 107 L CB -0.692 40.952 42.059 -0.693 0.000 0.899 107 L HN 0.089 nan 8.230 nan 0.000 0.433 108 V N -0.166 119.548 119.914 -0.333 0.000 2.568 108 V HA -0.305 3.816 4.120 0.001 0.000 0.253 108 V C 2.713 178.703 176.094 -0.172 0.000 1.072 108 V CA 1.406 63.552 62.300 -0.258 0.000 1.084 108 V CB -1.205 30.520 31.823 -0.163 0.000 0.676 108 V HN 0.617 nan 8.190 nan 0.000 0.469 109 A N 0.690 123.436 122.820 -0.124 0.000 1.858 109 A HA -0.272 4.049 4.320 0.001 0.000 0.216 109 A C 2.574 180.147 177.584 -0.018 0.000 1.190 109 A CA 2.719 54.730 52.037 -0.043 0.000 0.617 109 A CB -1.260 17.743 19.000 0.004 0.000 0.827 109 A HN 0.615 nan 8.150 nan 0.000 0.443 110 T N -0.734 113.762 114.554 -0.098 0.000 2.680 110 T HA -0.250 4.101 4.350 0.001 0.000 0.268 110 T C 1.801 176.422 174.700 -0.132 0.000 1.033 110 T CA 1.849 63.834 62.100 -0.192 0.000 1.152 110 T CB -0.837 67.782 68.868 -0.415 0.000 0.859 110 T HN 0.314 nan 8.240 nan 0.000 0.452 111 L N 1.251 122.348 121.223 -0.210 0.000 1.951 111 L HA -0.150 4.191 4.340 0.001 0.000 0.222 111 L C 3.405 180.231 176.870 -0.074 0.000 1.078 111 L CA 1.970 56.526 54.840 -0.473 0.000 0.778 111 L CB -1.053 40.425 42.059 -0.968 0.000 0.893 111 L HN 0.481 nan 8.230 nan 0.000 0.436 112 A N -0.764 122.130 122.820 0.123 0.000 1.902 112 A HA -0.160 4.161 4.320 0.001 0.000 0.217 112 A C 2.264 180.015 177.584 0.277 0.000 1.181 112 A CA 1.823 54.050 52.037 0.316 0.000 0.623 112 A CB -0.939 18.270 19.000 0.348 0.000 0.818 112 A HN 0.268 nan 8.150 nan 0.000 0.443 113 V N -0.136 119.931 119.914 0.255 0.000 2.380 113 V HA -0.311 3.809 4.120 0.001 0.000 0.251 113 V C 2.973 179.236 176.094 0.283 0.000 1.063 113 V CA 2.070 64.556 62.300 0.310 0.000 1.055 113 V CB -1.300 30.751 31.823 0.380 0.000 0.657 113 V HN 0.653 nan 8.190 nan 0.000 0.455 114 A N 0.036 122.985 122.820 0.215 0.000 1.832 114 A HA -0.153 4.168 4.320 0.001 0.000 0.214 114 A C 2.148 179.891 177.584 0.266 0.000 1.204 114 A CA 1.820 53.979 52.037 0.203 0.000 0.606 114 A CB -0.763 18.287 19.000 0.083 0.000 0.849 114 A HN 0.435 nan 8.150 nan 0.000 0.445 115 L N 0.906 122.244 121.223 0.191 0.000 2.103 115 L HA -0.240 4.101 4.340 0.001 0.000 0.215 115 L C 1.490 178.319 176.870 -0.068 0.000 1.080 115 L CA 2.487 57.343 54.840 0.027 0.000 0.764 115 L CB -0.822 41.150 42.059 -0.145 0.000 0.890 115 L HN 0.474 nan 8.230 nan 0.000 0.435 116 N N -0.868 117.829 118.700 -0.005 0.000 2.353 116 N HA 0.094 4.835 4.740 0.001 0.000 0.185 116 N C 1.508 177.081 175.510 0.105 0.000 1.098 116 N CA 0.774 53.814 53.050 -0.015 0.000 0.872 116 N CB 0.175 38.587 38.487 -0.124 0.000 0.970 116 N HN 0.506 nan 8.380 nan 0.000 0.467 117 A N 0.912 123.839 122.820 0.178 0.000 2.169 117 A HA 0.109 4.430 4.320 0.001 0.000 0.212 117 A C 2.200 179.899 177.584 0.191 0.000 1.153 117 A CA 0.055 52.216 52.037 0.208 0.000 0.756 117 A CB -0.249 18.900 19.000 0.249 0.000 0.813 117 A HN 0.116 nan 8.150 nan 0.000 0.471 118 L N -0.381 120.916 121.223 0.124 0.000 1.990 118 L HA -0.214 4.127 4.340 0.001 0.000 0.213 118 L C 2.662 179.570 176.870 0.064 0.000 1.072 118 L CA 2.020 56.862 54.840 0.003 0.000 0.755 118 L CB -1.102 40.856 42.059 -0.168 0.000 0.889 118 L HN 0.380 nan 8.230 nan 0.000 0.432 119 T N -0.509 114.073 114.554 0.046 0.000 2.918 119 T HA -0.138 4.213 4.350 0.001 0.000 0.271 119 T C 1.474 176.179 174.700 0.009 0.000 1.104 119 T CA 0.999 63.151 62.100 0.086 0.000 1.114 119 T CB -0.661 68.221 68.868 0.023 0.000 0.855 119 T HN 0.683 nan 8.240 nan 0.000 0.518 120 G N 1.548 110.367 108.800 0.031 0.000 2.225 120 G HA2 -0.390 3.571 3.960 0.001 0.000 0.272 120 G HA3 -0.390 3.571 3.960 0.001 0.000 0.272 120 G C 0.872 175.756 174.900 -0.027 0.000 0.996 120 G CA 0.983 46.101 45.100 0.031 0.000 0.710 120 G HN 0.530 nan 8.290 nan 0.000 0.522 121 K N -0.025 120.271 120.400 -0.173 0.000 2.365 121 K HA 0.350 4.671 4.320 0.001 0.000 0.199 121 K C 1.410 177.918 176.600 -0.153 0.000 1.045 121 K CA 0.654 56.742 56.287 -0.332 0.000 0.962 121 K CB 0.031 31.837 32.500 -1.156 0.000 0.759 121 K HN 1.418 nan 8.250 nan 0.000 0.469 122 G N -0.061 108.716 108.800 -0.037 0.000 2.484 122 G HA2 -0.029 3.932 3.960 0.001 0.000 0.685 122 G HA3 -0.029 3.932 3.960 0.001 0.000 0.685 122 G C -1.490 173.496 174.900 0.143 0.000 1.294 122 G CA -1.124 43.995 45.100 0.031 0.000 0.879 122 G HN -0.065 nan 8.290 nan 0.000 0.646 123 V N 1.818 121.738 119.914 0.009 0.000 2.655 123 V HA 0.519 4.640 4.120 0.001 0.000 0.301 123 V C -0.552 175.489 176.094 -0.089 0.000 1.082 123 V CA -0.929 61.424 62.300 0.088 0.000 0.899 123 V CB 1.983 33.934 31.823 0.213 0.000 1.014 123 V HN 0.956 nan 8.190 nan 0.000 0.429 124 H N 2.759 121.923 119.070 0.155 0.000 2.467 124 H HA 0.725 5.282 4.556 0.002 0.000 0.326 124 H C -0.589 174.662 175.328 -0.128 0.000 1.094 124 H CA -0.652 55.456 56.048 0.100 0.000 1.253 124 H CB 1.971 31.913 29.762 0.300 0.000 1.439 124 H HN 0.415 nan 8.280 nan 0.000 0.479 125 V N 4.660 124.495 119.914 -0.131 0.000 2.380 125 V HA 0.182 4.303 4.120 0.001 0.000 0.286 125 V C -0.445 175.501 176.094 -0.247 0.000 1.015 125 V CA -0.749 61.335 62.300 -0.360 0.000 0.834 125 V CB 1.359 32.676 31.823 -0.844 0.000 1.009 125 V HN 0.543 nan 8.190 nan 0.000 0.428 126 V N 4.792 124.621 119.914 -0.142 0.000 2.532 126 V HA 0.889 5.010 4.120 0.001 0.000 0.295 126 V C 0.048 176.103 176.094 -0.065 0.000 1.041 126 V CA 0.325 62.601 62.300 -0.040 0.000 0.926 126 V CB 2.152 34.022 31.823 0.079 0.000 0.992 126 V HN 0.941 nan 8.190 nan 0.000 0.457 127 T N 3.636 118.185 114.554 -0.008 0.000 2.887 127 T HA 0.428 4.779 4.350 0.001 0.000 0.292 127 T C 0.964 175.660 174.700 -0.006 0.000 1.087 127 T CA -0.048 62.038 62.100 -0.023 0.000 1.009 127 T CB 1.457 70.322 68.868 -0.005 0.000 1.203 127 T HN 0.594 nan 8.240 nan 0.000 0.518 128 V N 0.242 120.140 119.914 -0.026 0.000 2.469 128 V HA -0.074 4.047 4.120 0.001 0.000 0.251 128 V C 0.799 176.895 176.094 0.004 0.000 1.064 128 V CA 1.677 63.967 62.300 -0.016 0.000 1.066 128 V CB -1.726 30.083 31.823 -0.023 0.000 0.667 128 V HN 1.002 nan 8.190 nan 0.000 0.461 129 N N -2.497 116.195 118.700 -0.015 0.000 2.610 129 N HA 0.267 5.007 4.740 0.001 0.000 0.264 129 N C -0.191 175.330 175.510 0.018 0.000 1.348 129 N CA -0.555 52.492 53.050 -0.006 0.000 0.819 129 N CB 0.992 39.401 38.487 -0.130 0.000 1.521 129 N HN -0.223 nan 8.380 nan 0.000 0.497 130 D N -0.289 120.154 120.400 0.072 0.000 2.087 130 D HA -0.205 4.436 4.640 0.001 0.000 0.192 130 D C 1.265 177.596 176.300 0.053 0.000 0.993 130 D CA 1.675 55.730 54.000 0.092 0.000 0.828 130 D CB -0.561 40.324 40.800 0.142 0.000 0.968 130 D HN 0.601 nan 8.370 nan 0.000 0.448 131 Y N 1.546 121.844 120.300 -0.004 0.000 2.062 131 Y HA -0.299 4.252 4.550 0.001 0.000 0.273 131 Y C 2.275 178.154 175.900 -0.034 0.000 1.206 131 Y CA 1.653 59.744 58.100 -0.016 0.000 1.125 131 Y CB -0.776 37.662 38.460 -0.036 0.000 0.951 131 Y HN -0.019 nan 8.280 nan 0.000 0.501 132 L N -0.527 120.485 121.223 -0.352 0.000 2.141 132 L HA -0.179 4.162 4.340 0.001 0.000 0.209 132 L C 2.801 179.572 176.870 -0.166 0.000 1.094 132 L CA 0.978 55.616 54.840 -0.337 0.000 0.763 132 L CB -0.999 40.983 42.059 -0.128 0.000 0.908 132 L HN 0.367 nan 8.230 nan 0.000 0.437 133 A N 0.438 123.225 122.820 -0.054 0.000 1.865 133 A HA -0.272 4.049 4.320 0.001 0.000 0.217 133 A C 2.434 180.017 177.584 -0.001 0.000 1.191 133 A CA 2.040 54.128 52.037 0.086 0.000 0.623 133 A CB -0.620 18.442 19.000 0.104 0.000 0.826 133 A HN 0.380 nan 8.150 nan 0.000 0.444 134 R N -0.558 119.885 120.500 -0.095 0.000 2.082 134 R HA -0.189 4.152 4.340 0.001 0.000 0.234 134 R C 2.476 178.646 176.300 -0.216 0.000 1.136 134 R CA 1.836 57.853 56.100 -0.137 0.000 0.935 134 R CB -0.425 29.805 30.300 -0.117 0.000 0.842 134 R HN 0.539 nan 8.270 nan 0.000 0.430 135 R N 0.327 120.609 120.500 -0.364 0.000 2.132 135 R HA -0.206 4.135 4.340 0.001 0.000 0.233 135 R C 1.757 177.968 176.300 -0.149 0.000 1.125 135 R CA 2.536 58.415 56.100 -0.367 0.000 0.914 135 R CB -0.594 29.311 30.300 -0.659 0.000 0.845 135 R HN 0.320 nan 8.270 nan 0.000 0.431 136 D N -0.070 120.285 120.400 -0.076 0.000 2.172 136 D HA -0.205 4.435 4.640 0.001 0.000 0.196 136 D C 1.693 177.914 176.300 -0.132 0.000 0.999 136 D CA 1.722 55.783 54.000 0.101 0.000 0.856 136 D CB -0.343 40.601 40.800 0.241 0.000 0.934 136 D HN 0.481 nan 8.370 nan 0.000 0.453 137 A N 0.878 123.441 122.820 -0.429 0.000 1.858 137 A HA -0.220 4.101 4.320 0.001 0.000 0.216 137 A C 2.145 179.560 177.584 -0.282 0.000 1.190 137 A CA 2.287 53.918 52.037 -0.677 0.000 0.617 137 A CB -0.681 17.951 19.000 -0.613 0.000 0.827 137 A HN 0.360 nan 8.150 nan 0.000 0.443 138 E N -1.579 118.523 120.200 -0.165 0.000 2.107 138 E HA -0.218 4.133 4.350 0.001 0.000 0.191 138 E C 1.727 178.323 176.600 -0.008 0.000 0.982 138 E CA 1.423 57.769 56.400 -0.090 0.000 0.809 138 E CB -0.762 28.882 29.700 -0.093 0.000 0.756 138 E HN 0.637 nan 8.360 nan 0.000 0.459 139 W N 0.664 121.848 121.300 -0.194 0.000 2.342 139 W HA -0.015 4.646 4.660 0.001 0.000 0.297 139 W C 1.681 178.098 176.519 -0.171 0.000 1.213 139 W CA 1.742 58.987 57.345 -0.167 0.000 1.251 139 W CB -0.215 29.154 29.460 -0.152 0.000 1.136 139 W HN 0.208 nan 8.180 nan 0.000 0.526 140 M N -0.172 119.353 119.600 -0.125 0.000 2.371 140 M HA 0.276 4.757 4.480 0.001 0.000 0.246 140 M C 2.047 178.235 176.300 -0.187 0.000 1.103 140 M CA 0.799 55.917 55.300 -0.303 0.000 1.010 140 M CB -0.208 32.222 32.600 -0.284 0.000 1.457 140 M HN -0.011 nan 8.290 nan 0.000 0.486 141 G N 1.961 110.701 108.800 -0.100 0.000 2.574 141 G HA2 -0.236 3.725 3.960 0.001 0.000 0.220 141 G HA3 -0.236 3.725 3.960 0.001 0.000 0.220 141 G C -0.877 173.937 174.900 -0.144 0.000 1.173 141 G CA 0.921 45.990 45.100 -0.052 0.000 0.772 141 G HN 0.336 nan 8.290 nan 0.000 0.585 142 P HA -0.085 nan 4.420 nan 0.000 0.216 142 P C 2.114 179.208 177.300 -0.343 0.000 1.153 142 P CA 1.345 64.118 63.100 -0.545 0.000 0.858 142 P CB -0.318 30.865 31.700 -0.862 0.000 0.789 143 V N -1.251 118.480 119.914 -0.305 0.000 2.332 143 V HA -0.259 3.862 4.120 0.001 0.000 0.248 143 V C 2.576 178.505 176.094 -0.274 0.000 1.055 143 V CA 1.847 63.980 62.300 -0.278 0.000 1.038 143 V CB -1.582 30.005 31.823 -0.394 0.000 0.651 143 V HN -0.049 nan 8.190 nan 0.000 0.450 144 Y N 0.978 121.163 120.300 -0.192 0.000 2.089 144 Y HA -0.171 4.380 4.550 0.001 0.000 0.282 144 Y C 2.737 178.526 175.900 -0.185 0.000 1.139 144 Y CA 1.683 59.677 58.100 -0.176 0.000 1.123 144 Y CB -0.679 37.703 38.460 -0.130 0.000 0.980 144 Y HN 0.141 nan 8.280 nan 0.000 0.493 145 R N -0.673 119.840 120.500 0.023 0.000 2.091 145 R HA -0.135 4.205 4.340 0.001 0.000 0.238 145 R C 2.511 178.752 176.300 -0.097 0.000 1.136 145 R CA 1.207 57.297 56.100 -0.018 0.000 0.959 145 R CB -1.155 29.161 30.300 0.026 0.000 0.856 145 R HN 0.412 nan 8.270 nan 0.000 0.437 146 G N 0.839 109.505 108.800 -0.223 0.000 2.537 146 G HA2 -0.200 3.761 3.960 0.001 0.000 0.220 146 G HA3 -0.200 3.761 3.960 0.001 0.000 0.220 146 G C 1.188 175.982 174.900 -0.177 0.000 1.111 146 G CA 0.654 45.516 45.100 -0.397 0.000 0.748 146 G HN 0.218 nan 8.290 nan 0.000 0.564 147 L N -0.845 120.282 121.223 -0.160 0.000 2.858 147 L HA 0.344 4.685 4.340 0.001 0.000 0.251 147 L C 1.621 178.418 176.870 -0.122 0.000 1.149 147 L CA 0.314 55.045 54.840 -0.181 0.000 0.955 147 L CB 0.490 42.255 42.059 -0.491 0.000 1.289 147 L HN 0.281 nan 8.230 nan 0.000 0.542 148 G N 1.178 109.939 108.800 -0.065 0.000 2.140 148 G HA2 -0.220 3.741 3.960 0.001 0.000 0.211 148 G HA3 -0.220 3.741 3.960 0.001 0.000 0.211 148 G C -0.186 174.728 174.900 0.023 0.000 1.013 148 G CA -0.357 44.754 45.100 0.018 0.000 0.705 148 G HN 0.169 nan 8.290 nan 0.000 0.508 149 L N 1.708 122.916 121.223 -0.025 0.000 2.309 149 L HA 0.621 4.962 4.340 0.001 0.000 0.282 149 L C 1.034 177.896 176.870 -0.015 0.000 1.036 149 L CA -0.555 54.284 54.840 -0.001 0.000 0.806 149 L CB 1.872 43.936 42.059 0.009 0.000 1.220 149 L HN 0.360 nan 8.230 nan 0.000 0.429 150 S N 1.864 117.549 115.700 -0.026 0.000 2.499 150 S HA 0.421 4.892 4.470 0.001 0.000 0.275 150 S C -0.232 174.300 174.600 -0.113 0.000 1.257 150 S CA -0.875 57.299 58.200 -0.043 0.000 1.050 150 S CB 1.183 64.376 63.200 -0.012 0.000 0.937 150 S HN 0.287 nan 8.310 nan 0.000 0.490 151 V N 3.717 123.561 119.914 -0.117 0.000 2.353 151 V HA 0.523 4.644 4.120 0.001 0.000 0.264 151 V C 1.029 177.062 176.094 -0.102 0.000 1.049 151 V CA -0.284 61.912 62.300 -0.173 0.000 0.896 151 V CB 0.294 32.019 31.823 -0.164 0.000 1.025 151 V HN 1.056 nan 8.190 nan 0.000 0.475 152 G N 4.025 112.786 108.800 -0.065 0.000 2.319 152 G HA2 0.575 4.536 3.960 0.001 0.000 0.308 152 G HA3 0.575 4.536 3.960 0.001 0.000 0.308 152 G C -0.840 174.068 174.900 0.013 0.000 1.117 152 G CA -0.308 44.776 45.100 -0.027 0.000 0.903 152 G HN 0.538 nan 8.290 nan 0.000 0.436 153 V N 4.224 124.124 119.914 -0.023 0.000 2.483 153 V HA 0.421 4.542 4.120 0.001 0.000 0.297 153 V C -0.174 175.907 176.094 -0.022 0.000 1.027 153 V CA -0.664 61.639 62.300 0.005 0.000 0.855 153 V CB 1.609 33.414 31.823 -0.031 0.000 0.995 153 V HN 0.658 nan 8.190 nan 0.000 0.424 154 I N 3.931 124.500 120.570 -0.001 0.000 2.378 154 I HA 0.524 4.695 4.170 0.001 0.000 0.291 154 I C -0.251 175.899 176.117 0.054 0.000 0.992 154 I CA -0.436 60.854 61.300 -0.016 0.000 1.154 154 I CB 2.025 39.984 38.000 -0.068 0.000 1.315 154 I HN 0.602 nan 8.210 nan 0.000 0.448 155 Q N 2.446 122.281 119.800 0.058 0.000 2.359 155 Q HA 0.241 4.582 4.340 0.001 0.000 0.275 155 Q C 0.590 176.677 176.000 0.145 0.000 1.082 155 Q CA -0.417 55.447 55.803 0.103 0.000 0.849 155 Q CB 1.369 30.154 28.738 0.079 0.000 1.377 155 Q HN 0.472 nan 8.270 nan 0.000 0.452 156 H N 0.847 119.963 119.070 0.076 0.000 2.352 156 H HA -0.057 4.499 4.556 0.001 0.000 0.299 156 H C 1.240 176.603 175.328 0.058 0.000 1.097 156 H CA 2.381 58.477 56.048 0.081 0.000 1.311 156 H CB 0.062 29.878 29.762 0.090 0.000 1.377 156 H HN 0.639 nan 8.280 nan 0.000 0.504 157 A N 0.435 123.217 122.820 -0.063 0.000 2.125 157 A HA -0.035 4.286 4.320 0.001 0.000 0.219 157 A C 1.395 178.927 177.584 -0.087 0.000 1.156 157 A CA 0.769 52.732 52.037 -0.124 0.000 0.671 157 A CB -0.875 18.105 19.000 -0.034 0.000 0.794 157 A HN 0.603 nan 8.150 nan 0.000 0.459 158 S N 0.927 116.602 115.700 -0.040 0.000 2.552 158 S HA 0.289 4.759 4.470 0.001 0.000 0.289 158 S C 0.467 175.047 174.600 -0.032 0.000 1.304 158 S CA 0.135 58.320 58.200 -0.025 0.000 1.063 158 S CB -0.078 63.116 63.200 -0.010 0.000 0.848 158 S HN 0.732 nan 8.310 nan 0.000 0.499 159 T N 0.136 114.677 114.554 -0.023 0.000 2.849 159 T HA 0.405 4.756 4.350 0.001 0.000 0.284 159 T C -1.416 173.286 174.700 0.004 0.000 1.004 159 T CA -1.757 60.334 62.100 -0.015 0.000 1.021 159 T CB 0.713 69.574 68.868 -0.012 0.000 1.013 159 T HN 0.494 nan 8.240 nan 0.000 0.527 160 P HA -0.202 nan 4.420 nan 0.000 0.218 160 P C 1.377 178.700 177.300 0.038 0.000 1.146 160 P CA 1.527 64.647 63.100 0.033 0.000 0.820 160 P CB -0.230 31.485 31.700 0.025 0.000 0.778 161 A N 1.078 123.912 122.820 0.023 0.000 1.821 161 A HA -0.179 4.142 4.320 0.001 0.000 0.215 161 A C 2.274 179.869 177.584 0.019 0.000 1.214 161 A CA 1.678 53.730 52.037 0.024 0.000 0.608 161 A CB -1.467 17.542 19.000 0.015 0.000 0.862 161 A HN 0.111 nan 8.150 nan 0.000 0.448 162 E N -0.143 120.059 120.200 0.003 0.000 2.136 162 E HA -0.282 4.069 4.350 0.001 0.000 0.202 162 E C 2.220 178.798 176.600 -0.037 0.000 1.019 162 E CA 1.780 58.172 56.400 -0.014 0.000 0.819 162 E CB -0.299 29.390 29.700 -0.019 0.000 0.739 162 E HN 0.503 nan 8.360 nan 0.000 0.458 163 R N 0.340 120.820 120.500 -0.033 0.000 2.080 163 R HA -0.147 4.194 4.340 0.001 0.000 0.236 163 R C 2.494 178.769 176.300 -0.043 0.000 1.137 163 R CA 1.425 57.473 56.100 -0.087 0.000 0.943 163 R CB -0.405 29.913 30.300 0.030 0.000 0.846 163 R HN 0.110 nan 8.270 nan 0.000 0.431 164 R N 1.187 121.740 120.500 0.089 0.000 2.081 164 R HA -0.157 4.184 4.340 0.001 0.000 0.235 164 R C 2.364 178.736 176.300 0.120 0.000 1.131 164 R CA 1.694 57.893 56.100 0.164 0.000 0.960 164 R CB -0.082 30.295 30.300 0.129 0.000 0.856 164 R HN 0.127 nan 8.270 nan 0.000 0.436 165 K N -0.031 120.400 120.400 0.052 0.000 2.026 165 K HA -0.129 4.192 4.320 0.001 0.000 0.208 165 K C 1.946 178.557 176.600 0.017 0.000 1.048 165 K CA 1.452 57.760 56.287 0.036 0.000 0.929 165 K CB -0.191 32.316 32.500 0.012 0.000 0.713 165 K HN 0.172 nan 8.250 nan 0.000 0.439 166 A N 0.829 123.618 122.820 -0.052 0.000 1.869 166 A HA -0.217 4.104 4.320 0.001 0.000 0.218 166 A C 2.055 179.607 177.584 -0.054 0.000 1.203 166 A CA 1.816 53.782 52.037 -0.118 0.000 0.638 166 A CB -1.335 17.499 19.000 -0.277 0.000 0.831 166 A HN 0.557 nan 8.150 nan 0.000 0.450 167 Y N -0.751 119.611 120.300 0.102 0.000 2.403 167 Y HA -0.042 4.509 4.550 0.001 0.000 0.291 167 Y C 1.992 177.935 175.900 0.071 0.000 1.143 167 Y CA 0.594 58.764 58.100 0.117 0.000 1.257 167 Y CB -0.188 38.375 38.460 0.171 0.000 0.984 167 Y HN 0.208 nan 8.280 nan 0.000 0.550 168 L N -0.278 121.066 121.223 0.201 0.000 2.610 168 L HA 0.095 4.436 4.340 0.001 0.000 0.232 168 L C 1.144 178.064 176.870 0.083 0.000 1.149 168 L CA -0.439 54.481 54.840 0.134 0.000 0.872 168 L CB -0.333 41.793 42.059 0.111 0.000 0.992 168 L HN 0.120 nan 8.230 nan 0.000 0.447 169 A N -0.914 121.946 122.820 0.067 0.000 2.271 169 A HA 0.136 4.456 4.320 0.001 0.000 0.288 169 A C 0.804 178.402 177.584 0.024 0.000 1.094 169 A CA -0.517 51.538 52.037 0.029 0.000 0.828 169 A CB 0.387 19.387 19.000 -0.000 0.000 1.091 169 A HN 0.149 nan 8.150 nan 0.000 0.493 170 D N -0.661 119.745 120.400 0.009 0.000 2.149 170 D HA -0.054 4.587 4.640 0.001 0.000 0.198 170 D C 0.222 176.518 176.300 -0.008 0.000 0.990 170 D CA 1.705 55.718 54.000 0.020 0.000 0.839 170 D CB -0.033 40.788 40.800 0.035 0.000 0.948 170 D HN 0.214 nan 8.370 nan 0.000 0.460 171 V N 0.080 119.949 119.914 -0.074 0.000 2.760 171 V HA 0.344 4.465 4.120 0.001 0.000 0.309 171 V C -0.264 175.825 176.094 -0.009 0.000 1.077 171 V CA -0.709 61.536 62.300 -0.092 0.000 0.910 171 V CB 2.431 34.064 31.823 -0.316 0.000 1.008 171 V HN -0.160 nan 8.190 nan 0.000 0.424 172 T N 3.289 117.874 114.554 0.052 0.000 2.861 172 T HA 0.647 4.998 4.350 0.001 0.000 0.287 172 T C -1.413 173.394 174.700 0.178 0.000 1.003 172 T CA -0.397 61.802 62.100 0.165 0.000 0.977 172 T CB 1.253 70.257 68.868 0.228 0.000 0.996 172 T HN 0.408 nan 8.240 nan 0.000 0.448 173 Y N 1.807 122.128 120.300 0.034 0.000 2.356 173 Y HA 0.627 5.178 4.550 0.001 0.000 0.334 173 Y C -0.073 175.868 175.900 0.068 0.000 0.958 173 Y CA -0.831 57.299 58.100 0.051 0.000 1.196 173 Y CB 1.013 39.477 38.460 0.008 0.000 1.137 173 Y HN 0.371 nan 8.280 nan 0.000 0.485 174 V N 1.263 121.287 119.914 0.183 0.000 3.130 174 V HA 0.542 4.663 4.120 0.001 0.000 0.310 174 V C -0.126 176.062 176.094 0.156 0.000 1.158 174 V CA -1.283 61.126 62.300 0.182 0.000 1.029 174 V CB 2.359 34.334 31.823 0.253 0.000 1.057 174 V HN 0.692 nan 8.190 nan 0.000 0.436 175 T N -1.028 113.619 114.554 0.155 0.000 2.899 175 T HA 0.221 4.572 4.350 0.001 0.000 0.284 175 T C 1.022 175.833 174.700 0.184 0.000 1.004 175 T CA 0.204 62.386 62.100 0.137 0.000 1.043 175 T CB 0.727 69.667 68.868 0.120 0.000 1.013 175 T HN 0.847 nan 8.240 nan 0.000 0.518 176 N N 1.439 120.261 118.700 0.204 0.000 2.166 176 N HA -0.196 4.545 4.740 0.001 0.000 0.186 176 N C 1.854 177.561 175.510 0.330 0.000 1.019 176 N CA 1.566 54.832 53.050 0.360 0.000 0.856 176 N CB -0.559 38.121 38.487 0.322 0.000 0.993 176 N HN 0.684 nan 8.380 nan 0.000 0.426 177 S N -0.244 115.582 115.700 0.211 0.000 2.371 177 S HA -0.052 4.418 4.470 0.001 0.000 0.224 177 S C 1.726 176.285 174.600 -0.068 0.000 1.029 177 S CA 0.515 58.707 58.200 -0.014 0.000 0.978 177 S CB -0.257 62.970 63.200 0.046 0.000 0.833 177 S HN 0.121 nan 8.310 nan 0.000 0.466 178 E N 1.767 122.042 120.200 0.123 0.000 2.007 178 E HA -0.069 4.282 4.350 0.001 0.000 0.194 178 E C 2.147 178.858 176.600 0.184 0.000 0.999 178 E CA 1.243 57.771 56.400 0.213 0.000 0.811 178 E CB -0.888 28.949 29.700 0.228 0.000 0.762 178 E HN 0.555 nan 8.360 nan 0.000 0.450 179 L N 0.705 122.048 121.223 0.200 0.000 2.189 179 L HA -0.136 4.205 4.340 0.001 0.000 0.214 179 L C 2.018 178.886 176.870 -0.002 0.000 1.097 179 L CA 2.057 57.026 54.840 0.215 0.000 0.764 179 L CB -0.463 41.755 42.059 0.266 0.000 0.900 179 L HN 0.161 nan 8.230 nan 0.000 0.436 180 G N -0.615 108.058 108.800 -0.211 0.000 2.434 180 G HA2 -0.249 3.712 3.960 0.001 0.000 0.214 180 G HA3 -0.249 3.712 3.960 0.001 0.000 0.214 180 G C 1.344 175.927 174.900 -0.529 0.000 1.202 180 G CA 0.902 45.570 45.100 -0.720 0.000 0.788 180 G HN 0.451 nan 8.290 nan 0.000 0.539 181 F N 1.216 121.062 119.950 -0.174 0.000 2.171 181 F HA -0.034 4.494 4.527 0.001 0.000 0.300 181 F C 2.506 178.277 175.800 -0.048 0.000 1.090 181 F CA 0.835 58.781 58.000 -0.091 0.000 1.293 181 F CB -0.024 38.962 39.000 -0.023 0.000 1.013 181 F HN 0.047 nan 8.300 nan 0.000 0.486 182 D N -0.582 119.925 120.400 0.179 0.000 2.228 182 D HA -0.244 4.396 4.640 0.001 0.000 0.203 182 D C 1.749 178.068 176.300 0.033 0.000 0.988 182 D CA 1.142 55.218 54.000 0.127 0.000 0.864 182 D CB -0.522 40.401 40.800 0.206 0.000 0.928 182 D HN 0.381 nan 8.370 nan 0.000 0.469 183 Y N 0.934 121.132 120.300 -0.170 0.000 2.163 183 Y HA -0.129 4.422 4.550 0.001 0.000 0.288 183 Y C 2.072 177.867 175.900 -0.174 0.000 1.136 183 Y CA 1.258 59.230 58.100 -0.212 0.000 1.147 183 Y CB -0.329 37.886 38.460 -0.409 0.000 0.987 183 Y HN -0.101 nan 8.280 nan 0.000 0.509 184 L N 0.085 121.332 121.223 0.039 0.000 2.046 184 L HA -0.192 4.149 4.340 0.001 0.000 0.208 184 L C 2.597 179.392 176.870 -0.126 0.000 1.077 184 L CA 1.613 56.459 54.840 0.010 0.000 0.747 184 L CB -0.569 41.612 42.059 0.204 0.000 0.896 184 L HN 0.084 nan 8.230 nan 0.000 0.432 185 R N -0.003 120.466 120.500 -0.051 0.000 2.083 185 R HA -0.184 4.156 4.340 0.001 0.000 0.237 185 R C 1.929 178.133 176.300 -0.160 0.000 1.137 185 R CA 1.793 57.853 56.100 -0.067 0.000 0.951 185 R CB -0.559 29.737 30.300 -0.006 0.000 0.851 185 R HN 0.258 nan 8.270 nan 0.000 0.434 186 D N 0.178 120.451 120.400 -0.212 0.000 2.271 186 D HA -0.120 4.521 4.640 0.001 0.000 0.207 186 D C 0.470 176.534 176.300 -0.394 0.000 0.983 186 D CA 1.140 54.978 54.000 -0.270 0.000 0.878 186 D CB -0.173 40.454 40.800 -0.288 0.000 0.920 186 D HN 0.239 nan 8.370 nan 0.000 0.479 187 N N -1.044 117.299 118.700 -0.594 0.000 2.295 187 N HA 0.259 5.000 4.740 0.001 0.000 0.221 187 N C 0.437 175.636 175.510 -0.518 0.000 1.129 187 N CA 0.062 52.597 53.050 -0.858 0.000 0.836 187 N CB 0.460 37.720 38.487 -2.045 0.000 1.040 187 N HN 0.093 nan 8.380 nan 0.000 0.494 188 M N -0.675 118.770 119.600 -0.259 0.000 2.449 188 M HA 0.314 4.795 4.480 0.001 0.000 0.410 188 M C -0.272 175.990 176.300 -0.064 0.000 1.079 188 M CA -0.205 55.046 55.300 -0.082 0.000 0.922 188 M CB 1.007 33.596 32.600 -0.019 0.000 1.676 188 M HN 0.024 nan 8.290 nan 0.000 0.572 189 A N 0.798 123.556 122.820 -0.105 0.000 2.386 189 A HA 0.537 4.858 4.320 0.001 0.000 0.248 189 A C 0.774 178.334 177.584 -0.040 0.000 1.082 189 A CA -0.194 51.802 52.037 -0.068 0.000 0.789 189 A CB 0.313 19.261 19.000 -0.088 0.000 1.025 189 A HN 0.441 nan 8.150 nan 0.000 0.490 190 I N 1.118 121.679 120.570 -0.015 0.000 3.025 190 I HA 0.065 4.235 4.170 0.001 0.000 0.236 190 I C 1.306 177.427 176.117 0.008 0.000 1.063 190 I CA 0.806 62.109 61.300 0.006 0.000 1.476 190 I CB -0.766 37.249 38.000 0.024 0.000 1.331 190 I HN 0.628 nan 8.210 nan 0.000 0.457 191 S N 1.509 117.215 115.700 0.009 0.000 2.586 191 S HA 0.326 4.797 4.470 0.001 0.000 0.274 191 S C -2.024 172.581 174.600 0.009 0.000 1.281 191 S CA -1.185 57.023 58.200 0.012 0.000 1.035 191 S CB 1.197 64.406 63.200 0.014 0.000 0.962 191 S HN -0.072 nan 8.310 nan 0.000 0.512 192 P HA 0.019 nan 4.420 nan 0.000 0.228 192 P C 0.072 177.405 177.300 0.056 0.000 1.151 192 P CA 0.838 63.964 63.100 0.044 0.000 0.770 192 P CB -0.010 31.733 31.700 0.071 0.000 0.786 193 D N -0.950 119.472 120.400 0.038 0.000 2.434 193 D HA 0.062 4.703 4.640 0.001 0.000 0.232 193 D C 1.210 177.526 176.300 0.026 0.000 1.166 193 D CA 0.407 54.431 54.000 0.039 0.000 0.830 193 D CB 0.278 41.095 40.800 0.029 0.000 0.960 193 D HN 0.336 nan 8.370 nan 0.000 0.497 194 Q N -0.698 119.110 119.800 0.013 0.000 2.342 194 Q HA 0.197 4.538 4.340 0.001 0.000 0.261 194 Q C 0.580 176.575 176.000 -0.008 0.000 0.841 194 Q CA -0.088 55.717 55.803 0.003 0.000 0.969 194 Q CB 1.302 30.035 28.738 -0.008 0.000 1.136 194 Q HN 0.187 nan 8.270 nan 0.000 0.528 195 L N 1.868 123.071 121.223 -0.032 0.000 2.485 195 L HA -0.002 4.339 4.340 0.001 0.000 0.275 195 L C 1.288 178.140 176.870 -0.030 0.000 1.207 195 L CA -0.229 54.562 54.840 -0.082 0.000 0.855 195 L CB 0.450 42.401 42.059 -0.180 0.000 1.114 195 L HN 0.048 nan 8.230 nan 0.000 0.485 196 V N 0.326 120.237 119.914 -0.005 0.000 3.151 196 V HA 0.177 4.298 4.120 0.001 0.000 0.241 196 V C 0.933 177.119 176.094 0.153 0.000 1.173 196 V CA -0.178 62.197 62.300 0.126 0.000 1.154 196 V CB -0.315 31.657 31.823 0.249 0.000 0.898 196 V HN 0.488 nan 8.190 nan 0.000 0.473 197 L N 1.895 123.095 121.223 -0.039 0.000 2.476 197 L HA 0.284 4.625 4.340 0.001 0.000 0.264 197 L C 1.084 177.907 176.870 -0.079 0.000 1.224 197 L CA -0.379 54.369 54.840 -0.154 0.000 0.821 197 L CB 0.143 42.047 42.059 -0.257 0.000 1.101 197 L HN 0.316 nan 8.230 nan 0.000 0.488 198 R N 0.723 121.235 120.500 0.019 0.000 2.893 198 R HA 0.058 4.399 4.340 0.001 0.000 0.279 198 R C 0.564 176.892 176.300 0.047 0.000 1.076 198 R CA -0.186 55.995 56.100 0.134 0.000 1.203 198 R CB 0.061 30.443 30.300 0.136 0.000 1.137 198 R HN 0.712 nan 8.270 nan 0.000 0.541 199 H N -0.632 118.419 119.070 -0.032 0.000 2.855 199 H HA 0.051 4.607 4.556 0.001 0.000 0.259 199 H C 0.571 175.829 175.328 -0.116 0.000 0.972 199 H CA 0.305 56.317 56.048 -0.060 0.000 1.213 199 H CB 0.565 30.297 29.762 -0.051 0.000 1.451 199 H HN 0.563 nan 8.280 nan 0.000 0.484 200 D N 0.610 121.010 120.400 0.000 0.000 2.084 200 D HA -0.132 4.509 4.640 0.001 0.000 0.194 200 D C 1.612 177.539 176.300 -0.622 0.000 0.990 200 D CA 1.462 55.294 54.000 -0.280 0.000 0.826 200 D CB 0.027 40.732 40.800 -0.158 0.000 0.971 200 D HN 0.460 nan 8.370 nan 0.000 0.453 201 H N -2.406 116.684 119.070 0.034 0.000 3.067 201 H HA 0.224 4.780 4.556 0.001 0.000 0.241 201 H C -1.217 174.132 175.328 0.035 0.000 0.961 201 H CA 0.326 56.392 56.048 0.031 0.000 1.123 201 H CB 0.987 30.744 29.762 -0.007 0.000 1.448 201 H HN 0.191 nan 8.280 nan 0.000 0.457 202 P HA 0.239 nan 4.420 nan 0.000 0.342 202 P C -0.229 177.085 177.300 0.024 0.000 1.328 202 P CA 0.373 63.501 63.100 0.047 0.000 1.283 202 P CB 1.849 33.533 31.700 -0.025 0.000 1.646 203 L N -0.043 121.131 121.223 -0.081 0.000 2.502 203 L HA 0.344 4.685 4.340 0.001 0.000 0.249 203 L C 1.143 177.756 176.870 -0.428 0.000 1.446 203 L CA -0.362 54.132 54.840 -0.576 0.000 0.887 203 L CB 0.557 42.163 42.059 -0.754 0.000 1.126 203 L HN 0.054 nan 8.230 nan 0.000 0.509 204 H N 1.602 120.592 119.070 -0.133 0.000 2.281 204 H HA -0.003 4.554 4.556 0.001 0.000 0.310 204 H C -0.623 174.881 175.328 0.293 0.000 1.052 204 H CA 1.081 57.170 56.048 0.068 0.000 1.331 204 H CB 0.560 30.378 29.762 0.093 0.000 1.419 204 H HN 0.347 nan 8.280 nan 0.000 0.518 205 Y N 0.227 120.596 120.300 0.114 0.000 2.442 205 Y HA 0.533 5.083 4.550 0.001 0.000 0.344 205 Y C -1.419 174.718 175.900 0.394 0.000 0.976 205 Y CA -0.656 57.528 58.100 0.140 0.000 1.040 205 Y CB 1.397 39.759 38.460 -0.163 0.000 1.228 205 Y HN 0.360 nan 8.280 nan 0.000 0.451 206 A N 6.577 129.241 122.820 -0.261 0.000 2.365 206 A HA 0.822 5.143 4.320 0.001 0.000 0.318 206 A C -1.594 175.505 177.584 -0.808 0.000 1.091 206 A CA -0.759 50.951 52.037 -0.546 0.000 0.763 206 A CB 0.865 19.308 19.000 -0.928 0.000 1.248 206 A HN 0.713 nan 8.150 nan 0.000 0.442 207 I N 3.131 123.332 120.570 -0.615 0.000 2.466 207 I HA 0.253 4.424 4.170 0.001 0.000 0.279 207 I C -0.948 174.925 176.117 -0.408 0.000 1.033 207 I CA -0.137 60.858 61.300 -0.508 0.000 1.123 207 I CB 1.271 39.029 38.000 -0.403 0.000 1.237 207 I HN 0.514 nan 8.210 nan 0.000 0.460 208 I N 5.137 125.429 120.570 -0.464 0.000 2.337 208 I HA 0.067 4.238 4.170 0.001 0.000 0.291 208 I C 1.169 177.094 176.117 -0.321 0.000 1.046 208 I CA 0.005 61.035 61.300 -0.450 0.000 1.324 208 I CB 0.785 38.388 38.000 -0.661 0.000 1.409 208 I HN 0.528 nan 8.210 nan 0.000 0.494 209 D N 4.441 124.701 120.400 -0.234 0.000 2.178 209 D HA -0.126 4.515 4.640 0.001 0.000 0.202 209 D C 0.644 176.859 176.300 -0.143 0.000 0.974 209 D CA 1.549 55.454 54.000 -0.158 0.000 0.841 209 D CB 0.452 41.193 40.800 -0.099 0.000 0.953 209 D HN 0.476 nan 8.370 nan 0.000 0.478 210 E N -0.071 120.031 120.200 -0.163 0.000 4.052 210 E HA 0.069 4.420 4.350 0.001 0.000 0.219 210 E C 1.630 178.125 176.600 -0.175 0.000 1.166 210 E CA -0.076 56.245 56.400 -0.133 0.000 1.338 210 E CB 1.234 30.879 29.700 -0.091 0.000 1.212 210 E HN 0.109 nan 8.360 nan 0.000 0.432 211 V N -0.071 119.691 119.914 -0.253 0.000 2.236 211 V HA -0.406 3.715 4.120 0.001 0.000 0.255 211 V C 2.077 178.072 176.094 -0.165 0.000 1.068 211 V CA 2.574 64.671 62.300 -0.338 0.000 1.044 211 V CB -0.727 30.778 31.823 -0.530 0.000 0.653 211 V HN 0.435 nan 8.190 nan 0.000 0.448 212 D N 0.532 120.919 120.400 -0.021 0.000 2.158 212 D HA -0.208 4.432 4.640 0.001 0.000 0.197 212 D C 1.989 178.322 176.300 0.054 0.000 0.995 212 D CA 2.167 56.263 54.000 0.159 0.000 0.846 212 D CB -0.462 40.431 40.800 0.154 0.000 0.941 212 D HN 0.590 nan 8.370 nan 0.000 0.456 213 S N 0.386 116.073 115.700 -0.022 0.000 2.377 213 S HA 0.051 4.522 4.470 0.001 0.000 0.223 213 S C 2.304 176.853 174.600 -0.085 0.000 1.030 213 S CA 0.379 58.555 58.200 -0.040 0.000 0.970 213 S CB -0.087 63.086 63.200 -0.045 0.000 0.830 213 S HN 0.304 nan 8.310 nan 0.000 0.473 214 I N 1.221 121.701 120.570 -0.150 0.000 2.233 214 I HA -0.070 4.101 4.170 0.001 0.000 0.243 214 I C 1.523 177.477 176.117 -0.272 0.000 1.093 214 I CA 1.199 62.346 61.300 -0.256 0.000 1.380 214 I CB -0.230 37.587 38.000 -0.304 0.000 1.067 214 I HN 0.184 nan 8.210 nan 0.000 0.413 215 L N -0.107 121.014 121.223 -0.169 0.000 2.592 215 L HA 0.156 4.497 4.340 0.001 0.000 0.227 215 L C 1.623 178.594 176.870 0.167 0.000 1.127 215 L CA 0.310 55.148 54.840 -0.004 0.000 0.884 215 L CB 0.230 42.265 42.059 -0.041 0.000 1.065 215 L HN 0.264 nan 8.230 nan 0.000 0.457 216 I N -1.661 118.967 120.570 0.096 0.000 3.680 216 I HA 0.002 4.173 4.170 0.001 0.000 0.261 216 I C 0.896 177.038 176.117 0.043 0.000 1.121 216 I CA 0.099 61.458 61.300 0.097 0.000 1.429 216 I CB 0.455 38.520 38.000 0.107 0.000 1.719 216 I HN -0.005 nan 8.210 nan 0.000 0.413 217 D N 1.124 121.538 120.400 0.022 0.000 2.363 217 D HA -0.087 4.554 4.640 0.001 0.000 0.226 217 D C 1.063 177.365 176.300 0.004 0.000 1.020 217 D CA 0.969 54.977 54.000 0.012 0.000 0.892 217 D CB 0.623 41.429 40.800 0.010 0.000 0.900 217 D HN 0.316 nan 8.370 nan 0.000 0.531 218 E N -0.337 119.849 120.200 -0.022 0.000 2.571 218 E HA 0.200 4.551 4.350 0.001 0.000 0.222 218 E C 0.451 177.045 176.600 -0.010 0.000 0.904 218 E CA -0.066 56.307 56.400 -0.045 0.000 1.157 218 E CB 0.709 30.318 29.700 -0.152 0.000 1.158 218 E HN 0.016 nan 8.360 nan 0.000 0.540 219 A N 0.699 123.532 122.820 0.022 0.000 3.258 219 A HA 0.337 4.657 4.320 0.001 0.000 0.275 219 A C 1.024 178.678 177.584 0.116 0.000 1.452 219 A CA -0.247 51.868 52.037 0.131 0.000 1.120 219 A CB -0.218 18.884 19.000 0.169 0.000 1.107 219 A HN 0.066 nan 8.150 nan 0.000 0.651 220 R N -0.354 120.202 120.500 0.094 0.000 2.254 220 R HA 0.096 4.437 4.340 0.001 0.000 0.193 220 R C 0.747 177.090 176.300 0.073 0.000 0.929 220 R CA 1.252 57.389 56.100 0.062 0.000 1.038 220 R CB 0.519 30.844 30.300 0.043 0.000 1.009 220 R HN 0.629 nan 8.270 nan 0.000 0.512 221 T N -1.762 112.854 114.554 0.104 0.000 2.887 221 T HA 0.612 4.963 4.350 0.001 0.000 0.292 221 T C -2.847 171.922 174.700 0.114 0.000 1.087 221 T CA -2.207 59.948 62.100 0.092 0.000 1.009 221 T CB 2.662 71.579 68.868 0.081 0.000 1.203 221 T HN -0.268 nan 8.240 nan 0.000 0.518 222 P HA 0.582 nan 4.420 nan 0.000 0.283 222 P C -0.915 176.389 177.300 0.007 0.000 1.278 222 P CA -0.976 62.143 63.100 0.032 0.000 0.834 222 P CB 0.602 32.317 31.700 0.024 0.000 1.150 223 L N 1.037 122.204 121.223 -0.093 0.000 2.326 223 L HA 0.464 4.805 4.340 0.001 0.000 0.278 223 L C 0.071 177.028 176.870 0.145 0.000 1.092 223 L CA -0.135 54.666 54.840 -0.065 0.000 0.810 223 L CB 0.163 41.923 42.059 -0.499 0.000 1.153 223 L HN 0.176 nan 8.230 nan 0.000 0.439 224 I N 4.492 125.230 120.570 0.280 0.000 2.569 224 I HA 0.384 4.555 4.170 0.001 0.000 0.290 224 I C -0.685 175.496 176.117 0.107 0.000 1.088 224 I CA -0.379 61.022 61.300 0.168 0.000 1.047 224 I CB 2.568 40.611 38.000 0.072 0.000 1.237 224 I HN 0.456 nan 8.210 nan 0.000 0.421 225 I N 5.237 125.829 120.570 0.038 0.000 2.405 225 I HA 0.189 4.360 4.170 0.001 0.000 0.280 225 I C 0.214 176.305 176.117 -0.043 0.000 1.027 225 I CA -0.324 60.939 61.300 -0.061 0.000 1.161 225 I CB 1.477 39.430 38.000 -0.078 0.000 1.300 225 I HN 0.565 nan 8.210 nan 0.000 0.463 226 S N 4.238 119.906 115.700 -0.053 0.000 2.499 226 S HA 0.734 5.205 4.470 0.001 0.000 0.279 226 S C 0.132 174.704 174.600 -0.048 0.000 1.219 226 S CA -0.519 57.649 58.200 -0.054 0.000 1.062 226 S CB 1.823 64.990 63.200 -0.055 0.000 0.978 226 S HN 0.636 nan 8.310 nan 0.000 0.489 227 G N 2.105 110.880 108.800 -0.041 0.000 2.705 227 G HA2 0.711 4.672 3.960 0.001 0.000 0.299 227 G HA3 0.711 4.672 3.960 0.001 0.000 0.299 227 G C -2.999 171.890 174.900 -0.019 0.000 1.315 227 G CA -2.097 42.988 45.100 -0.025 0.000 1.045 227 G HN 0.592 nan 8.290 nan 0.000 0.517 228 P HA 0.359 nan 4.420 nan 0.000 0.275 228 P C -0.014 177.292 177.300 0.011 0.000 1.270 228 P CA -0.163 62.938 63.100 0.002 0.000 0.791 228 P CB 0.354 32.061 31.700 0.011 0.000 1.089 229 A N 0.283 123.115 122.820 0.021 0.000 2.498 229 A HA 0.097 4.418 4.320 0.001 0.000 0.239 229 A C -0.133 177.486 177.584 0.059 0.000 1.068 229 A CA -0.052 52.009 52.037 0.039 0.000 0.766 229 A CB -0.647 18.378 19.000 0.043 0.000 1.003 229 A HN 0.482 nan 8.150 nan 0.000 0.497 230 E N 2.566 122.814 120.200 0.079 0.000 2.328 230 E HA 0.141 4.492 4.350 0.001 0.000 0.265 230 E C -0.175 176.500 176.600 0.126 0.000 1.057 230 E CA 0.085 56.541 56.400 0.092 0.000 0.916 230 E CB 0.150 29.911 29.700 0.101 0.000 0.993 230 E HN 0.424 nan 8.360 nan 0.000 0.446 231 K N 1.750 122.224 120.400 0.123 0.000 4.336 231 K HA -0.244 4.077 4.320 0.001 0.000 0.552 231 K C 0.017 176.745 176.600 0.214 0.000 1.691 231 K CA 0.753 57.132 56.287 0.154 0.000 1.223 231 K CB -0.262 32.326 32.500 0.146 0.000 1.814 231 K HN 0.729 nan 8.250 nan 0.000 0.276 232 A N 4.234 127.148 122.820 0.157 0.000 2.455 232 A HA 0.037 4.358 4.320 0.001 0.000 0.244 232 A C 1.702 179.429 177.584 0.239 0.000 1.099 232 A CA 0.831 52.960 52.037 0.154 0.000 0.786 232 A CB 0.067 19.125 19.000 0.096 0.000 1.051 232 A HN 0.753 nan 8.150 nan 0.000 0.508 233 T N 0.625 115.290 114.554 0.185 0.000 2.699 233 T HA -0.176 4.175 4.350 0.001 0.000 0.268 233 T C 1.271 176.148 174.700 0.295 0.000 1.036 233 T CA 1.980 64.231 62.100 0.251 0.000 1.147 233 T CB -0.526 68.409 68.868 0.112 0.000 0.862 233 T HN 0.712 nan 8.240 nan 0.000 0.446 234 D N 1.253 121.754 120.400 0.167 0.000 2.137 234 D HA -0.090 4.551 4.640 0.001 0.000 0.189 234 D C 2.153 178.548 176.300 0.158 0.000 0.998 234 D CA 1.032 55.110 54.000 0.129 0.000 0.839 234 D CB -0.654 40.189 40.800 0.072 0.000 0.962 234 D HN 0.292 nan 8.370 nan 0.000 0.446 235 L N -0.419 120.879 121.223 0.125 0.000 2.127 235 L HA -0.210 4.130 4.340 0.001 0.000 0.211 235 L C 2.481 179.354 176.870 0.004 0.000 1.089 235 L CA 0.928 55.794 54.840 0.043 0.000 0.757 235 L CB -0.263 41.790 42.059 -0.011 0.000 0.899 235 L HN 0.087 nan 8.230 nan 0.000 0.434 236 Y N -2.168 118.189 120.300 0.095 0.000 2.263 236 Y HA -0.243 4.308 4.550 0.002 0.000 0.292 236 Y C 2.152 178.045 175.900 -0.011 0.000 1.130 236 Y CA 1.548 59.674 58.100 0.044 0.000 1.179 236 Y CB -0.117 38.369 38.460 0.043 0.000 0.998 236 Y HN 0.060 nan 8.280 nan 0.000 0.532 237 Y N -0.338 120.047 120.300 0.141 0.000 2.420 237 Y HA -0.072 4.479 4.550 0.001 0.000 0.292 237 Y C 2.002 177.925 175.900 0.038 0.000 1.119 237 Y CA 0.970 59.118 58.100 0.081 0.000 1.229 237 Y CB -0.132 38.366 38.460 0.063 0.000 1.026 237 Y HN -0.065 nan 8.280 nan 0.000 0.554 238 K N -0.842 119.651 120.400 0.156 0.000 2.365 238 K HA -0.131 4.190 4.320 0.001 0.000 0.199 238 K C 1.670 178.277 176.600 0.011 0.000 1.045 238 K CA 1.010 57.339 56.287 0.069 0.000 0.962 238 K CB -0.081 32.445 32.500 0.044 0.000 0.759 238 K HN 0.220 nan 8.250 nan 0.000 0.469 239 M N -0.032 119.559 119.600 -0.016 0.000 2.541 239 M HA 0.106 4.587 4.480 0.001 0.000 0.252 239 M C 1.581 177.856 176.300 -0.041 0.000 1.125 239 M CA 0.509 55.775 55.300 -0.058 0.000 1.091 239 M CB 0.260 32.788 32.600 -0.120 0.000 1.420 239 M HN 0.083 nan 8.290 nan 0.000 0.486 240 A N 0.166 122.969 122.820 -0.029 0.000 1.878 240 A HA -0.075 4.246 4.320 0.001 0.000 0.213 240 A C 1.841 179.422 177.584 -0.004 0.000 1.192 240 A CA 1.381 53.400 52.037 -0.031 0.000 0.619 240 A CB -0.702 18.254 19.000 -0.073 0.000 0.837 240 A HN 0.605 nan 8.150 nan 0.000 0.446 241 E N 0.515 120.724 120.200 0.015 0.000 2.085 241 E HA -0.215 4.136 4.350 0.001 0.000 0.194 241 E C 1.806 178.409 176.600 0.004 0.000 0.994 241 E CA 1.575 57.987 56.400 0.021 0.000 0.801 241 E CB -0.690 29.032 29.700 0.035 0.000 0.743 241 E HN 0.583 nan 8.360 nan 0.000 0.453 242 I N 0.513 121.078 120.570 -0.009 0.000 2.286 242 I HA -0.248 3.923 4.170 0.001 0.000 0.248 242 I C 2.289 178.393 176.117 -0.021 0.000 1.115 242 I CA 1.423 62.709 61.300 -0.023 0.000 1.392 242 I CB -0.271 37.701 38.000 -0.046 0.000 1.065 242 I HN 0.289 nan 8.210 nan 0.000 0.418 243 A N 0.595 123.405 122.820 -0.017 0.000 1.940 243 A HA -0.282 4.039 4.320 0.001 0.000 0.219 243 A C 2.367 179.950 177.584 -0.002 0.000 1.176 243 A CA 2.045 54.077 52.037 -0.009 0.000 0.631 243 A CB -0.510 18.489 19.000 -0.001 0.000 0.814 243 A HN 0.475 nan 8.150 nan 0.000 0.446 244 K N -0.891 119.511 120.400 0.003 0.000 2.186 244 K HA 0.005 4.326 4.320 0.001 0.000 0.202 244 K C 1.792 178.394 176.600 0.004 0.000 1.052 244 K CA 0.584 56.876 56.287 0.008 0.000 0.965 244 K CB 0.068 32.578 32.500 0.016 0.000 0.746 244 K HN 0.193 nan 8.250 nan 0.000 0.457 245 K N 0.503 120.903 120.400 0.000 0.000 2.148 245 K HA -0.076 4.245 4.320 0.001 0.000 0.204 245 K C 0.417 177.013 176.600 -0.007 0.000 1.050 245 K CA 0.432 56.718 56.287 -0.002 0.000 0.942 245 K CB -0.263 32.234 32.500 -0.005 0.000 0.724 245 K HN 0.045 nan 8.250 nan 0.000 0.446 246 L N 3.522 124.739 121.223 -0.011 0.000 2.530 246 L HA -0.024 4.317 4.340 0.001 0.000 0.273 246 L C 0.803 177.664 176.870 -0.016 0.000 1.141 246 L CA 0.270 55.100 54.840 -0.015 0.000 0.905 246 L CB -0.027 42.021 42.059 -0.019 0.000 1.202 246 L HN 0.206 nan 8.230 nan 0.000 0.473 247 E N 4.353 124.544 120.200 -0.016 0.000 2.451 247 E HA 0.116 4.467 4.350 0.001 0.000 0.256 247 E C -0.193 176.384 176.600 -0.039 0.000 1.294 247 E CA -0.651 55.738 56.400 -0.017 0.000 1.005 247 E CB 0.628 30.321 29.700 -0.010 0.000 0.990 247 E HN 0.462 nan 8.360 nan 0.000 0.505 248 R N -0.728 119.746 120.500 -0.044 0.000 2.540 248 R HA 0.506 4.847 4.340 0.001 0.000 0.287 248 R C -0.564 175.686 176.300 -0.084 0.000 0.980 248 R CA -0.147 55.893 56.100 -0.100 0.000 0.966 248 R CB 1.721 31.977 30.300 -0.073 0.000 1.106 248 R HN 0.631 nan 8.270 nan 0.000 0.480 249 G N 2.500 111.206 108.800 -0.157 0.000 2.600 249 G HA2 0.533 4.494 3.960 0.001 0.000 0.303 249 G HA3 0.533 4.494 3.960 0.001 0.000 0.303 249 G C -1.227 173.681 174.900 0.014 0.000 1.253 249 G CA -0.804 44.257 45.100 -0.065 0.000 0.974 249 G HN 0.409 nan 8.290 nan 0.000 0.483 250 L N 0.834 122.098 121.223 0.069 0.000 2.344 250 L HA 0.394 4.735 4.340 0.001 0.000 0.272 250 L C -1.901 175.025 176.870 0.093 0.000 1.035 250 L CA -1.789 53.130 54.840 0.132 0.000 0.807 250 L CB 2.196 44.307 42.059 0.087 0.000 1.237 250 L HN 0.315 nan 8.230 nan 0.000 0.442 251 P HA 0.024 nan 4.420 nan 0.000 0.300 251 P C -0.889 176.430 177.300 0.032 0.000 1.294 251 P CA -0.384 62.759 63.100 0.072 0.000 0.757 251 P CB 0.329 32.075 31.700 0.077 0.000 1.377 252 A N -0.337 122.493 122.820 0.017 0.000 2.362 252 A HA 0.249 4.570 4.320 0.001 0.000 0.276 252 A C 0.010 177.586 177.584 -0.013 0.000 1.153 252 A CA -0.164 51.870 52.037 -0.004 0.000 0.813 252 A CB -0.597 18.394 19.000 -0.014 0.000 1.081 252 A HN 0.416 nan 8.150 nan 0.000 0.507 253 E N 3.345 123.533 120.200 -0.020 0.000 2.254 253 E HA 0.360 4.711 4.350 0.001 0.000 0.261 253 E C -1.735 174.839 176.600 -0.045 0.000 1.051 253 E CA -1.744 54.640 56.400 -0.027 0.000 0.902 253 E CB 0.116 29.803 29.700 -0.022 0.000 1.168 253 E HN 0.414 nan 8.360 nan 0.000 0.423 254 P HA -0.336 nan 4.420 nan 0.000 0.230 254 P C 0.890 178.139 177.300 -0.085 0.000 0.781 254 P CA 2.320 65.375 63.100 -0.075 0.000 1.067 254 P CB -0.031 31.630 31.700 -0.065 0.000 0.733 255 G N -3.001 105.756 108.800 -0.072 0.000 2.944 255 G HA2 0.194 4.155 3.960 0.001 0.000 0.223 255 G HA3 0.194 4.155 3.960 0.001 0.000 0.223 255 G C -0.170 174.696 174.900 -0.057 0.000 1.071 255 G CA 0.241 45.297 45.100 -0.074 0.000 0.806 255 G HN 0.510 nan 8.290 nan 0.000 0.538 256 V N 2.364 122.250 119.914 -0.046 0.000 2.488 256 V HA 0.467 4.588 4.120 0.001 0.000 0.277 256 V C 0.618 176.694 176.094 -0.030 0.000 1.046 256 V CA -0.989 61.291 62.300 -0.035 0.000 0.986 256 V CB 0.455 32.261 31.823 -0.028 0.000 0.989 256 V HN 0.318 nan 8.190 nan 0.000 0.475 257 R N 4.883 125.367 120.500 -0.027 0.000 2.995 257 R HA 0.204 4.545 4.340 0.001 0.000 0.287 257 R C 0.092 176.384 176.300 -0.013 0.000 1.168 257 R CA -0.539 55.547 56.100 -0.022 0.000 1.183 257 R CB 0.176 30.462 30.300 -0.023 0.000 1.157 257 R HN 0.788 nan 8.270 nan 0.000 0.577 258 K N 1.767 122.161 120.400 -0.009 0.000 2.561 258 K HA -0.113 4.208 4.320 0.001 0.000 0.280 258 K C 0.239 176.839 176.600 -0.001 0.000 0.975 258 K CA 0.517 56.803 56.287 -0.002 0.000 1.024 258 K CB 0.550 33.047 32.500 -0.004 0.000 0.883 258 K HN 0.580 nan 8.250 nan 0.000 0.496 259 E N 2.777 122.979 120.200 0.005 0.000 4.032 259 E HA 0.018 4.369 4.350 0.001 0.000 0.574 259 E C -1.486 175.112 176.600 -0.003 0.000 0.258 259 E CA -0.658 55.744 56.400 0.004 0.000 3.629 259 E CB -0.409 29.300 29.700 0.014 0.000 2.366 259 E HN 0.458 nan 8.360 nan 0.000 0.316 260 P HA 0.006 nan 4.420 nan 0.000 0.336 260 P C 0.770 178.061 177.300 -0.015 0.000 1.435 260 P CA 0.633 63.725 63.100 -0.013 0.000 0.860 260 P CB 0.015 31.704 31.700 -0.017 0.000 2.095 261 T N -1.603 112.940 114.554 -0.018 0.000 2.777 261 T HA 0.031 4.382 4.350 0.001 0.000 0.266 261 T C 1.131 175.825 174.700 -0.010 0.000 1.040 261 T CA 1.468 63.567 62.100 -0.002 0.000 1.141 261 T CB -0.995 67.872 68.868 -0.002 0.000 0.868 261 T HN 0.412 nan 8.240 nan 0.000 0.444 262 G N 1.277 110.024 108.800 -0.088 0.000 2.335 262 G HA2 0.490 4.451 3.960 0.001 0.000 0.316 262 G HA3 0.490 4.451 3.960 0.001 0.000 0.316 262 G C -1.553 173.200 174.900 -0.245 0.000 1.129 262 G CA -0.484 44.510 45.100 -0.177 0.000 0.899 262 G HN 0.235 nan 8.290 nan 0.000 0.448 263 D N 1.392 121.686 120.400 -0.178 0.000 2.461 263 D HA 0.420 5.060 4.640 0.001 0.000 0.240 263 D C -0.205 176.074 176.300 -0.034 0.000 1.094 263 D CA -0.574 53.383 54.000 -0.072 0.000 0.868 263 D CB 0.408 41.189 40.800 -0.032 0.000 1.062 263 D HN 0.321 nan 8.370 nan 0.000 0.530 264 Y N 1.091 121.373 120.300 -0.031 0.000 2.394 264 Y HA 0.197 4.748 4.550 0.001 0.000 0.351 264 Y C 1.648 177.530 175.900 -0.030 0.000 1.272 264 Y CA -0.881 57.198 58.100 -0.034 0.000 1.508 264 Y CB -0.136 38.316 38.460 -0.013 0.000 1.369 264 Y HN 0.279 nan 8.280 nan 0.000 0.639 265 T N -1.214 113.430 114.554 0.150 0.000 2.904 265 T HA 0.485 4.836 4.350 0.001 0.000 0.290 265 T C -0.257 174.501 174.700 0.096 0.000 1.018 265 T CA -1.009 61.136 62.100 0.075 0.000 1.075 265 T CB 0.538 69.411 68.868 0.009 0.000 0.986 265 T HN 0.702 nan 8.240 nan 0.000 0.523 266 V N 1.813 121.791 119.914 0.106 0.000 2.599 266 V HA 0.161 4.282 4.120 0.001 0.000 0.300 266 V C 1.731 177.863 176.094 0.063 0.000 1.034 266 V CA -0.404 61.949 62.300 0.088 0.000 1.115 266 V CB -0.144 31.785 31.823 0.175 0.000 0.934 266 V HN 1.023 nan 8.190 nan 0.000 0.485 267 E N 2.540 122.749 120.200 0.015 0.000 2.355 267 E HA -0.279 4.071 4.350 0.001 0.000 0.209 267 E C 1.733 178.369 176.600 0.059 0.000 1.050 267 E CA 2.388 58.801 56.400 0.023 0.000 0.843 267 E CB 0.257 29.939 29.700 -0.030 0.000 0.742 267 E HN 0.952 nan 8.360 nan 0.000 0.489 268 E N -0.506 119.739 120.200 0.075 0.000 2.364 268 E HA 0.004 4.355 4.350 0.001 0.000 0.196 268 E C 1.080 177.695 176.600 0.025 0.000 0.990 268 E CA -0.139 56.307 56.400 0.076 0.000 0.886 268 E CB 0.420 30.193 29.700 0.123 0.000 0.866 268 E HN -0.054 nan 8.360 nan 0.000 0.493 269 K N 1.108 121.521 120.400 0.022 0.000 2.233 269 K HA 0.089 4.410 4.320 0.001 0.000 0.239 269 K C 0.671 177.229 176.600 -0.070 0.000 1.064 269 K CA 0.214 56.467 56.287 -0.058 0.000 0.884 269 K CB 0.451 32.950 32.500 -0.001 0.000 1.166 269 K HN 0.019 nan 8.250 nan 0.000 0.512 270 N N 0.441 119.077 118.700 -0.107 0.000 2.210 270 N HA 0.022 4.763 4.740 0.001 0.000 0.203 270 N C -0.113 175.330 175.510 -0.112 0.000 1.175 270 N CA -0.114 52.865 53.050 -0.118 0.000 0.894 270 N CB 0.534 38.954 38.487 -0.111 0.000 1.041 270 N HN 0.148 nan 8.380 nan 0.000 0.506 271 R N 1.245 121.692 120.500 -0.089 0.000 2.298 271 R HA 0.197 4.538 4.340 0.001 0.000 0.310 271 R C -0.263 175.972 176.300 -0.108 0.000 1.068 271 R CA 0.015 56.062 56.100 -0.089 0.000 0.957 271 R CB 0.511 30.769 30.300 -0.070 0.000 1.003 271 R HN -0.110 nan 8.270 nan 0.000 0.454 272 S N 2.885 118.479 115.700 -0.176 0.000 2.423 272 S HA 0.268 4.739 4.470 0.001 0.000 0.317 272 S C -0.591 173.709 174.600 -0.500 0.000 1.065 272 S CA -0.672 57.355 58.200 -0.288 0.000 1.111 272 S CB 0.355 63.386 63.200 -0.281 0.000 0.968 272 S HN 0.341 nan 8.310 nan 0.000 0.474 273 V N 8.019 127.724 119.914 -0.349 0.000 2.154 273 V HA 0.218 4.339 4.120 0.001 0.000 0.265 273 V C 0.315 176.278 176.094 -0.219 0.000 1.293 273 V CA -0.724 61.407 62.300 -0.282 0.000 1.205 273 V CB -0.824 30.931 31.823 -0.114 0.000 1.306 273 V HN 0.854 nan 8.190 nan 0.000 0.479 274 H N 3.175 122.217 119.070 -0.046 0.000 3.157 274 H HA 0.305 4.862 4.556 0.001 0.000 0.260 274 H C 0.450 175.758 175.328 -0.033 0.000 1.232 274 H CA -0.321 55.702 56.048 -0.042 0.000 1.488 274 H CB 1.406 31.151 29.762 -0.028 0.000 1.548 274 H HN 0.483 nan 8.280 nan 0.000 0.487 275 L N 2.399 123.668 121.223 0.078 0.000 2.803 275 L HA 0.119 4.460 4.340 0.001 0.000 0.246 275 L C 0.302 177.187 176.870 0.026 0.000 1.100 275 L CA 0.117 54.983 54.840 0.042 0.000 0.919 275 L CB 0.802 42.863 42.059 0.005 0.000 1.285 275 L HN 0.385 nan 8.230 nan 0.000 0.522 276 T N 1.803 116.370 114.554 0.022 0.000 2.792 276 T HA 0.004 4.355 4.350 0.001 0.000 0.286 276 T C 1.533 176.247 174.700 0.024 0.000 0.970 276 T CA 0.172 62.281 62.100 0.015 0.000 1.187 276 T CB 0.562 69.435 68.868 0.009 0.000 0.915 276 T HN 0.215 nan 8.240 nan 0.000 0.529 277 L N 2.915 124.151 121.223 0.020 0.000 2.270 277 L HA -0.268 4.073 4.340 0.001 0.000 0.217 277 L C 2.804 179.695 176.870 0.036 0.000 1.107 277 L CA 1.454 56.312 54.840 0.031 0.000 0.772 277 L CB -0.436 41.635 42.059 0.021 0.000 0.902 277 L HN 0.756 nan 8.230 nan 0.000 0.439 278 Q N -0.681 119.133 119.800 0.023 0.000 2.050 278 Q HA -0.172 4.169 4.340 0.001 0.000 0.202 278 Q C 2.364 178.376 176.000 0.021 0.000 0.980 278 Q CA 1.548 57.361 55.803 0.018 0.000 0.840 278 Q CB -0.491 28.253 28.738 0.010 0.000 0.898 278 Q HN 0.625 nan 8.270 nan 0.000 0.424 279 G N 1.338 110.153 108.800 0.024 0.000 2.459 279 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 279 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 279 G C 1.448 176.371 174.900 0.039 0.000 1.183 279 G CA 0.933 46.048 45.100 0.024 0.000 0.776 279 G HN 0.226 nan 8.290 nan 0.000 0.552 280 I N 1.551 122.172 120.570 0.084 0.000 2.118 280 I HA -0.277 3.894 4.170 0.001 0.000 0.241 280 I C 3.329 179.519 176.117 0.121 0.000 1.070 280 I CA 1.311 62.721 61.300 0.183 0.000 1.327 280 I CB -0.378 37.736 38.000 0.191 0.000 1.034 280 I HN 0.258 nan 8.210 nan 0.000 0.405 281 A N 0.462 123.329 122.820 0.077 0.000 1.933 281 A HA -0.213 4.108 4.320 0.001 0.000 0.218 281 A C 2.344 179.930 177.584 0.004 0.000 1.175 281 A CA 1.595 53.658 52.037 0.044 0.000 0.628 281 A CB -0.439 18.583 19.000 0.036 0.000 0.814 281 A HN 0.347 nan 8.150 nan 0.000 0.444 282 K N -0.517 119.880 120.400 -0.005 0.000 2.057 282 K HA -0.025 4.296 4.320 0.001 0.000 0.206 282 K C 2.380 178.946 176.600 -0.057 0.000 1.050 282 K CA 1.025 57.297 56.287 -0.024 0.000 0.935 282 K CB -0.296 32.193 32.500 -0.018 0.000 0.715 282 K HN 0.443 nan 8.250 nan 0.000 0.439 283 A N 2.489 125.258 122.820 -0.085 0.000 1.877 283 A HA -0.221 4.100 4.320 0.001 0.000 0.216 283 A C 2.074 179.528 177.584 -0.215 0.000 1.186 283 A CA 1.852 53.793 52.037 -0.160 0.000 0.620 283 A CB -0.567 18.299 19.000 -0.222 0.000 0.822 283 A HN 0.520 nan 8.150 nan 0.000 0.443 284 E N 0.273 120.329 120.200 -0.240 0.000 2.110 284 E HA -0.250 4.101 4.350 0.001 0.000 0.193 284 E C 1.693 178.227 176.600 -0.110 0.000 0.988 284 E CA 1.432 57.699 56.400 -0.223 0.000 0.804 284 E CB -0.422 29.208 29.700 -0.118 0.000 0.745 284 E HN 0.589 nan 8.360 nan 0.000 0.458 285 K N 0.569 120.927 120.400 -0.070 0.000 2.281 285 K HA -0.084 4.237 4.320 0.001 0.000 0.203 285 K C 2.215 178.786 176.600 -0.047 0.000 1.046 285 K CA 1.070 57.332 56.287 -0.042 0.000 0.938 285 K CB -0.138 32.345 32.500 -0.028 0.000 0.737 285 K HN 0.270 nan 8.250 nan 0.000 0.458 286 L N -0.286 120.896 121.223 -0.068 0.000 2.027 286 L HA -0.134 4.207 4.340 0.001 0.000 0.206 286 L C 1.768 178.606 176.870 -0.053 0.000 1.074 286 L CA 1.323 56.127 54.840 -0.060 0.000 0.745 286 L CB -0.080 41.935 42.059 -0.074 0.000 0.898 286 L HN 0.184 nan 8.230 nan 0.000 0.433 287 L N -1.820 119.361 121.223 -0.070 0.000 3.664 287 L HA 0.367 4.707 4.340 0.001 0.000 0.341 287 L C 0.236 177.079 176.870 -0.045 0.000 1.247 287 L CA -0.244 54.565 54.840 -0.050 0.000 1.133 287 L CB 1.264 43.294 42.059 -0.049 0.000 1.498 287 L HN 0.191 nan 8.230 nan 0.000 0.628 288 G N -0.127 108.638 108.800 -0.057 0.000 2.663 288 G HA2 0.621 4.582 3.960 0.001 0.000 0.299 288 G HA3 0.621 4.582 3.960 0.001 0.000 0.299 288 G C -1.450 173.444 174.900 -0.009 0.000 1.372 288 G CA -0.527 44.556 45.100 -0.029 0.000 0.781 288 G HN -0.108 nan 8.290 nan 0.000 0.491 289 I N 0.795 121.384 120.570 0.031 0.000 2.498 289 I HA 0.214 4.385 4.170 0.001 0.000 0.301 289 I C 1.759 177.940 176.117 0.106 0.000 0.984 289 I CA -0.661 60.670 61.300 0.051 0.000 1.204 289 I CB 2.066 40.097 38.000 0.051 0.000 1.362 289 I HN 0.936 nan 8.210 nan 0.000 0.471 290 E N 3.470 123.740 120.200 0.117 0.000 2.130 290 E HA -0.202 4.149 4.350 0.001 0.000 0.196 290 E C 1.686 178.409 176.600 0.205 0.000 0.998 290 E CA 1.436 57.953 56.400 0.195 0.000 0.806 290 E CB -0.316 29.465 29.700 0.133 0.000 0.738 290 E HN 0.922 nan 8.360 nan 0.000 0.459 291 G N 2.621 111.502 108.800 0.134 0.000 2.637 291 G HA2 -0.248 3.713 3.960 0.001 0.000 0.215 291 G HA3 -0.248 3.713 3.960 0.001 0.000 0.215 291 G C 1.658 176.650 174.900 0.153 0.000 1.289 291 G CA 1.263 46.432 45.100 0.114 0.000 0.816 291 G HN 0.203 nan 8.290 nan 0.000 0.580 292 L N -0.099 121.207 121.223 0.138 0.000 2.151 292 L HA -0.269 4.072 4.340 0.001 0.000 0.219 292 L C 2.599 179.624 176.870 0.258 0.000 1.083 292 L CA 1.725 56.658 54.840 0.155 0.000 0.782 292 L CB -0.683 41.444 42.059 0.113 0.000 0.891 292 L HN 0.339 nan 8.230 nan 0.000 0.439 293 F N 0.049 120.048 119.950 0.082 0.000 2.065 293 F HA -0.343 4.185 4.527 0.001 0.000 0.298 293 F C 2.805 178.702 175.800 0.163 0.000 1.112 293 F CA 1.669 59.729 58.000 0.099 0.000 1.212 293 F CB 0.062 39.098 39.000 0.060 0.000 0.975 293 F HN 0.090 nan 8.300 nan 0.000 0.476 294 S N 0.390 116.169 115.700 0.132 0.000 2.325 294 S HA 0.038 4.509 4.470 0.001 0.000 0.214 294 S C -2.031 172.707 174.600 0.230 0.000 1.031 294 S CA 0.309 58.546 58.200 0.062 0.000 0.972 294 S CB -1.257 61.938 63.200 -0.009 0.000 0.908 294 S HN 0.112 nan 8.310 nan 0.000 0.453 295 P HA 0.336 nan 4.420 nan 0.000 0.293 295 P C -0.425 177.001 177.300 0.211 0.000 1.300 295 P CA 0.369 63.590 63.100 0.202 0.000 0.792 295 P CB 1.321 33.086 31.700 0.108 0.000 0.925 296 E N 1.507 121.906 120.200 0.332 0.000 4.459 296 E HA -0.180 4.171 4.350 0.001 0.000 0.312 296 E C 0.031 176.804 176.600 0.288 0.000 0.670 296 E CA 1.071 57.669 56.400 0.330 0.000 1.781 296 E CB -1.671 28.098 29.700 0.115 0.000 1.823 296 E HN 0.515 nan 8.360 nan 0.000 0.453 297 N N 0.638 119.500 118.700 0.269 0.000 2.455 297 N HA 0.239 4.980 4.740 0.001 0.000 0.258 297 N C 1.159 176.848 175.510 0.299 0.000 1.158 297 N CA 0.109 53.316 53.050 0.262 0.000 0.893 297 N CB -0.029 38.632 38.487 0.290 0.000 1.173 297 N HN 0.250 nan 8.380 nan 0.000 0.503 298 M N -0.095 119.597 119.600 0.154 0.000 2.267 298 M HA -0.154 4.326 4.480 0.001 0.000 0.263 298 M C 1.697 178.068 176.300 0.118 0.000 1.063 298 M CA 1.290 56.556 55.300 -0.058 0.000 1.090 298 M CB -0.114 32.087 32.600 -0.665 0.000 1.392 298 M HN 0.310 nan 8.290 nan 0.000 0.422 299 E N 0.504 120.763 120.200 0.099 0.000 2.299 299 E HA -0.129 4.221 4.350 0.001 0.000 0.193 299 E C 1.876 178.580 176.600 0.174 0.000 0.998 299 E CA 0.828 57.294 56.400 0.109 0.000 0.851 299 E CB -0.584 29.137 29.700 0.035 0.000 0.795 299 E HN 0.417 nan 8.360 nan 0.000 0.492 300 L N 1.326 122.668 121.223 0.199 0.000 2.127 300 L HA 0.205 4.546 4.340 0.001 0.000 0.203 300 L C 2.464 179.486 176.870 0.254 0.000 1.080 300 L CA 1.792 56.726 54.840 0.158 0.000 0.768 300 L CB -0.705 41.423 42.059 0.115 0.000 0.924 300 L HN 0.102 nan 8.230 nan 0.000 0.444 301 A N -1.080 122.029 122.820 0.482 0.000 1.908 301 A HA -0.302 4.019 4.320 0.001 0.000 0.218 301 A C 2.378 180.169 177.584 0.345 0.000 1.181 301 A CA 1.860 54.240 52.037 0.571 0.000 0.627 301 A CB -1.154 18.182 19.000 0.559 0.000 0.818 301 A HN 0.703 nan 8.150 nan 0.000 0.445 302 H N -0.342 118.914 119.070 0.310 0.000 2.265 302 H HA -0.124 4.433 4.556 0.001 0.000 0.295 302 H C 2.082 177.492 175.328 0.136 0.000 1.084 302 H CA 2.370 58.574 56.048 0.260 0.000 1.261 302 H CB -0.365 29.546 29.762 0.248 0.000 1.360 302 H HN 0.478 nan 8.280 nan 0.000 0.487 303 M N -0.030 119.730 119.600 0.266 0.000 2.149 303 M HA -0.182 4.299 4.480 0.001 0.000 0.261 303 M C 2.767 179.070 176.300 0.005 0.000 1.064 303 M CA 1.129 56.462 55.300 0.055 0.000 1.102 303 M CB -0.181 32.342 32.600 -0.128 0.000 1.369 303 M HN 0.269 nan 8.290 nan 0.000 0.408 304 L N 0.458 121.690 121.223 0.016 0.000 2.005 304 L HA -0.222 4.119 4.340 0.001 0.000 0.207 304 L C 2.253 179.088 176.870 -0.059 0.000 1.072 304 L CA 1.442 56.254 54.840 -0.048 0.000 0.744 304 L CB -0.205 41.818 42.059 -0.060 0.000 0.895 304 L HN 0.233 nan 8.230 nan 0.000 0.433 305 I N 0.074 120.622 120.570 -0.037 0.000 2.208 305 I HA -0.372 3.799 4.170 0.001 0.000 0.245 305 I C 2.747 178.939 176.117 0.125 0.000 1.097 305 I CA 1.906 63.236 61.300 0.050 0.000 1.363 305 I CB -0.531 37.539 38.000 0.116 0.000 1.051 305 I HN 0.523 nan 8.210 nan 0.000 0.413 306 Q N 1.540 121.375 119.800 0.058 0.000 2.119 306 Q HA -0.151 4.190 4.340 0.001 0.000 0.201 306 Q C 2.282 178.318 176.000 0.060 0.000 0.972 306 Q CA 1.544 57.382 55.803 0.057 0.000 0.847 306 Q CB -0.449 28.340 28.738 0.085 0.000 0.903 306 Q HN 0.440 nan 8.270 nan 0.000 0.433 307 A N 1.732 124.575 122.820 0.039 0.000 1.877 307 A HA -0.127 4.194 4.320 0.001 0.000 0.216 307 A C 2.153 179.761 177.584 0.041 0.000 1.186 307 A CA 1.473 53.523 52.037 0.023 0.000 0.620 307 A CB -0.687 18.304 19.000 -0.015 0.000 0.822 307 A HN 0.439 nan 8.150 nan 0.000 0.443 308 I N -1.220 119.386 120.570 0.061 0.000 2.493 308 I HA -0.195 3.976 4.170 0.001 0.000 0.254 308 I C 2.690 178.852 176.117 0.075 0.000 1.160 308 I CA 0.910 62.262 61.300 0.086 0.000 1.445 308 I CB -0.261 37.847 38.000 0.180 0.000 1.086 308 I HN 0.285 nan 8.210 nan 0.000 0.433 309 R N 0.565 121.111 120.500 0.076 0.000 2.115 309 R HA -0.042 4.299 4.340 0.001 0.000 0.226 309 R C 2.441 178.757 176.300 0.026 0.000 1.100 309 R CA 1.253 57.361 56.100 0.014 0.000 0.980 309 R CB -0.236 30.069 30.300 0.008 0.000 0.875 309 R HN 0.330 nan 8.270 nan 0.000 0.445 310 A N 1.450 124.320 122.820 0.082 0.000 1.872 310 A HA -0.191 4.130 4.320 0.001 0.000 0.214 310 A C 2.030 179.701 177.584 0.146 0.000 1.187 310 A CA 1.525 53.648 52.037 0.142 0.000 0.614 310 A CB -0.237 18.812 19.000 0.081 0.000 0.826 310 A HN 0.176 nan 8.150 nan 0.000 0.442 311 K N -0.062 120.395 120.400 0.095 0.000 2.001 311 K HA -0.128 4.193 4.320 0.001 0.000 0.208 311 K C 1.918 178.577 176.600 0.098 0.000 1.048 311 K CA 2.011 58.353 56.287 0.091 0.000 0.932 311 K CB -0.260 32.275 32.500 0.058 0.000 0.715 311 K HN 0.416 nan 8.250 nan 0.000 0.437 312 E N -0.178 120.064 120.200 0.070 0.000 2.086 312 E HA -0.002 4.349 4.350 0.001 0.000 0.190 312 E C 1.386 178.040 176.600 0.090 0.000 0.975 312 E CA 1.069 57.518 56.400 0.081 0.000 0.813 312 E CB 0.115 29.831 29.700 0.027 0.000 0.768 312 E HN 0.475 nan 8.360 nan 0.000 0.457 313 L N -1.788 119.430 121.223 -0.008 0.000 2.791 313 L HA 0.389 4.730 4.340 0.001 0.000 0.239 313 L C -0.849 175.841 176.870 -0.301 0.000 1.203 313 L CA -0.211 54.555 54.840 -0.123 0.000 1.002 313 L CB 0.223 42.131 42.059 -0.252 0.000 1.295 313 L HN -0.083 nan 8.230 nan 0.000 0.504 314 Y N 1.154 121.461 120.300 0.012 0.000 2.317 314 Y HA 0.381 4.932 4.550 0.002 0.000 0.325 314 Y C -0.356 175.511 175.900 -0.054 0.000 1.066 314 Y CA -1.231 56.790 58.100 -0.131 0.000 1.203 314 Y CB 0.847 39.255 38.460 -0.087 0.000 1.127 314 Y HN 0.203 nan 8.280 nan 0.000 0.451 315 H N 3.797 122.955 119.070 0.147 0.000 3.017 315 H HA 0.126 4.683 4.556 0.001 0.000 0.276 315 H C 1.028 176.228 175.328 -0.213 0.000 1.062 315 H CA -0.227 55.819 56.048 -0.004 0.000 1.486 315 H CB 0.576 30.330 29.762 -0.014 0.000 1.507 315 H HN 0.743 nan 8.280 nan 0.000 0.508 316 R N 2.718 123.093 120.500 -0.208 0.000 2.292 316 R HA -0.224 4.117 4.340 0.001 0.000 0.216 316 R C 0.360 176.138 176.300 -0.870 0.000 1.071 316 R CA 2.208 57.887 56.100 -0.702 0.000 0.838 316 R CB -0.330 29.872 30.300 -0.163 0.000 0.800 316 R HN 0.601 nan 8.270 nan 0.000 0.434 317 D N -0.400 119.789 120.400 -0.352 0.000 2.370 317 D HA -0.031 4.610 4.640 0.001 0.000 0.256 317 D C 0.986 177.195 176.300 -0.153 0.000 1.197 317 D CA 0.339 54.208 54.000 -0.219 0.000 0.922 317 D CB 0.302 41.048 40.800 -0.089 0.000 0.911 317 D HN 0.233 nan 8.370 nan 0.000 0.517 318 R N -0.888 119.507 120.500 -0.175 0.000 2.350 318 R HA 0.121 4.462 4.340 0.001 0.000 0.199 318 R C 0.688 176.950 176.300 -0.064 0.000 0.876 318 R CA 0.158 56.231 56.100 -0.045 0.000 1.062 318 R CB 0.071 30.427 30.300 0.094 0.000 1.263 318 R HN 0.112 nan 8.270 nan 0.000 0.641 319 D N 0.387 120.682 120.400 -0.175 0.000 2.346 319 D HA 0.054 4.695 4.640 0.001 0.000 0.206 319 D C -0.205 176.081 176.300 -0.022 0.000 1.001 319 D CA 0.749 54.681 54.000 -0.112 0.000 0.871 319 D CB 0.466 41.190 40.800 -0.126 0.000 0.943 319 D HN 0.181 nan 8.370 nan 0.000 0.518 320 Y N -1.281 119.002 120.300 -0.028 0.000 2.436 320 Y HA 0.474 5.024 4.550 0.001 0.000 0.327 320 Y C -1.336 174.545 175.900 -0.032 0.000 1.138 320 Y CA -1.313 56.758 58.100 -0.048 0.000 1.042 320 Y CB 0.182 38.606 38.460 -0.059 0.000 1.302 320 Y HN -0.328 nan 8.280 nan 0.000 0.439 321 I N 4.696 125.340 120.570 0.123 0.000 2.315 321 I HA 0.432 4.603 4.170 0.001 0.000 0.291 321 I C -0.423 175.773 176.117 0.131 0.000 1.006 321 I CA -1.175 60.172 61.300 0.080 0.000 1.265 321 I CB 1.423 39.438 38.000 0.026 0.000 1.387 321 I HN 0.502 nan 8.210 nan 0.000 0.475 322 V N 7.012 127.013 119.914 0.145 0.000 2.509 322 V HA 0.333 4.453 4.120 0.001 0.000 0.284 322 V C 0.137 176.262 176.094 0.052 0.000 1.047 322 V CA -0.460 61.905 62.300 0.108 0.000 0.952 322 V CB 1.298 33.200 31.823 0.132 0.000 0.988 322 V HN 0.727 nan 8.190 nan 0.000 0.469 323 Q N 1.463 121.281 119.800 0.029 0.000 2.587 323 Q HA 0.336 4.677 4.340 0.001 0.000 0.293 323 Q C 0.022 176.030 176.000 0.013 0.000 1.083 323 Q CA -0.938 54.875 55.803 0.018 0.000 0.792 323 Q CB 1.591 30.334 28.738 0.009 0.000 1.484 323 Q HN 0.579 nan 8.270 nan 0.000 0.446 324 D N 0.625 121.031 120.400 0.011 0.000 2.315 324 D HA -0.114 4.526 4.640 0.001 0.000 0.211 324 D C 1.298 177.601 176.300 0.005 0.000 0.977 324 D CA 1.404 55.410 54.000 0.010 0.000 0.894 324 D CB -0.032 40.773 40.800 0.009 0.000 0.910 324 D HN 0.677 nan 8.370 nan 0.000 0.490 325 G N -0.811 107.989 108.800 0.001 0.000 2.688 325 G HA2 0.009 3.970 3.960 0.001 0.000 0.211 325 G HA3 0.009 3.970 3.960 0.001 0.000 0.211 325 G C 0.664 175.560 174.900 -0.007 0.000 1.399 325 G CA 0.427 45.524 45.100 -0.005 0.000 0.901 325 G HN 0.297 nan 8.290 nan 0.000 0.555 326 Q N -2.702 117.090 119.800 -0.014 0.000 2.832 326 Q HA 0.409 4.750 4.340 0.001 0.000 0.331 326 Q C -1.209 174.763 176.000 -0.046 0.000 0.833 326 Q CA -0.917 54.870 55.803 -0.026 0.000 0.794 326 Q CB 1.904 30.630 28.738 -0.020 0.000 1.387 326 Q HN 0.167 nan 8.270 nan 0.000 0.508 327 V N 2.604 122.454 119.914 -0.107 0.000 2.493 327 V HA 0.092 4.213 4.120 0.001 0.000 0.292 327 V C -0.236 175.782 176.094 -0.126 0.000 1.016 327 V CA 0.767 62.953 62.300 -0.190 0.000 1.097 327 V CB -0.783 30.751 31.823 -0.482 0.000 0.947 327 V HN 0.386 nan 8.190 nan 0.000 0.479 328 I N 5.470 126.000 120.570 -0.066 0.000 2.420 328 I HA 0.468 4.639 4.170 0.001 0.000 0.282 328 I C 0.157 176.244 176.117 -0.049 0.000 1.019 328 I CA -0.626 60.635 61.300 -0.065 0.000 1.130 328 I CB 1.034 39.008 38.000 -0.042 0.000 1.262 328 I HN 0.370 nan 8.210 nan 0.000 0.454 329 I N 5.263 125.741 120.570 -0.152 0.000 3.058 329 I HA -0.023 4.148 4.170 0.001 0.000 0.299 329 I C 0.130 176.203 176.117 -0.073 0.000 1.238 329 I CA 0.400 61.608 61.300 -0.154 0.000 1.423 329 I CB 0.465 38.230 38.000 -0.392 0.000 1.330 329 I HN 0.328 nan 8.210 nan 0.000 0.589 330 V N 3.983 123.872 119.914 -0.041 0.000 2.769 330 V HA 0.290 4.410 4.120 0.001 0.000 0.312 330 V C -0.419 175.599 176.094 -0.127 0.000 1.061 330 V CA -0.707 61.556 62.300 -0.062 0.000 0.931 330 V CB 2.021 33.827 31.823 -0.029 0.000 1.010 330 V HN 0.595 nan 8.190 nan 0.000 0.433 331 D N 2.181 122.488 120.400 -0.154 0.000 2.280 331 D HA 0.251 4.892 4.640 0.001 0.000 0.236 331 D C 0.605 176.799 176.300 -0.176 0.000 1.082 331 D CA -0.109 53.717 54.000 -0.290 0.000 0.834 331 D CB 2.013 42.661 40.800 -0.253 0.000 1.100 331 D HN 0.673 nan 8.370 nan 0.000 0.486 332 E N 2.631 122.698 120.200 -0.222 0.000 2.511 332 E HA -0.010 4.341 4.350 0.001 0.000 0.196 332 E C 1.003 177.736 176.600 0.223 0.000 1.066 332 E CA 0.212 56.620 56.400 0.013 0.000 0.871 332 E CB 0.304 30.036 29.700 0.054 0.000 0.863 332 E HN 0.549 nan 8.360 nan 0.000 0.520 333 F N -0.585 119.384 119.950 0.031 0.000 2.059 333 F HA -0.084 4.444 4.527 0.001 0.000 0.289 333 F C 2.211 178.026 175.800 0.025 0.000 1.128 333 F CA 0.690 58.708 58.000 0.029 0.000 1.181 333 F CB -0.022 38.994 39.000 0.027 0.000 1.012 333 F HN -0.009 nan 8.300 nan 0.000 0.473 334 T N -1.066 113.636 114.554 0.247 0.000 3.060 334 T HA 0.215 4.566 4.350 0.001 0.000 0.249 334 T C 1.043 175.784 174.700 0.068 0.000 1.079 334 T CA 0.631 62.807 62.100 0.127 0.000 1.013 334 T CB 0.165 69.088 68.868 0.091 0.000 0.975 334 T HN 0.531 nan 8.240 nan 0.000 0.518 335 G N 3.429 112.264 108.800 0.059 0.000 2.324 335 G HA2 -0.249 3.712 3.960 0.001 0.000 0.292 335 G HA3 -0.249 3.712 3.960 0.001 0.000 0.292 335 G C -0.044 174.857 174.900 0.002 0.000 1.079 335 G CA 0.248 45.364 45.100 0.027 0.000 1.026 335 G HN 0.811 nan 8.290 nan 0.000 0.506 336 R N -1.406 119.086 120.500 -0.014 0.000 2.810 336 R HA 0.794 5.135 4.340 0.001 0.000 0.266 336 R C -0.296 175.978 176.300 -0.043 0.000 1.061 336 R CA -1.378 54.703 56.100 -0.030 0.000 0.943 336 R CB 0.964 31.238 30.300 -0.042 0.000 1.237 336 R HN 0.138 nan 8.270 nan 0.000 0.459 337 L N 1.121 122.317 121.223 -0.044 0.000 2.417 337 L HA 0.332 4.673 4.340 0.001 0.000 0.268 337 L C 0.402 177.231 176.870 -0.068 0.000 1.158 337 L CA -0.440 54.370 54.840 -0.050 0.000 0.819 337 L CB 0.796 42.831 42.059 -0.041 0.000 1.112 337 L HN 0.513 nan 8.230 nan 0.000 0.458 338 M N 4.479 124.026 119.600 -0.088 0.000 2.151 338 M HA 0.262 4.743 4.480 0.001 0.000 0.349 338 M C -2.254 173.980 176.300 -0.109 0.000 1.284 338 M CA -1.618 53.617 55.300 -0.107 0.000 1.173 338 M CB 0.779 33.289 32.600 -0.151 0.000 1.469 338 M HN 0.177 nan 8.290 nan 0.000 0.439 339 P HA 0.057 nan 4.420 nan 0.000 0.260 339 P C 0.324 177.545 177.300 -0.132 0.000 1.207 339 P CA 0.774 63.814 63.100 -0.100 0.000 0.780 339 P CB 0.325 31.977 31.700 -0.079 0.000 0.789 340 G N 3.451 112.160 108.800 -0.153 0.000 2.390 340 G HA2 -0.290 3.671 3.960 0.001 0.000 0.299 340 G HA3 -0.290 3.671 3.960 0.001 0.000 0.299 340 G C -0.122 174.656 174.900 -0.204 0.000 1.002 340 G CA -0.230 44.758 45.100 -0.187 0.000 0.979 340 G HN 0.545 nan 8.290 nan 0.000 0.513 341 R N -0.091 120.275 120.500 -0.224 0.000 2.437 341 R HA 0.492 4.833 4.340 0.001 0.000 0.310 341 R C 0.734 176.803 176.300 -0.385 0.000 0.955 341 R CA -0.842 55.109 56.100 -0.249 0.000 0.851 341 R CB 1.605 31.787 30.300 -0.197 0.000 1.161 341 R HN 0.326 nan 8.270 nan 0.000 0.446 342 R N 1.479 121.717 120.500 -0.438 0.000 2.527 342 R HA 0.336 4.677 4.340 0.001 0.000 0.243 342 R C -0.273 175.829 176.300 -0.330 0.000 1.206 342 R CA -0.546 55.148 56.100 -0.676 0.000 1.134 342 R CB 0.636 30.517 30.300 -0.699 0.000 1.347 342 R HN 0.490 nan 8.270 nan 0.000 0.580 343 Y N -0.691 119.583 120.300 -0.045 0.000 2.360 343 Y HA 0.276 4.827 4.550 0.001 0.000 0.337 343 Y C 1.100 176.981 175.900 -0.033 0.000 1.039 343 Y CA -0.949 57.145 58.100 -0.011 0.000 1.109 343 Y CB 1.928 40.387 38.460 -0.003 0.000 1.201 343 Y HN 0.690 nan 8.280 nan 0.000 0.458 344 G N 1.289 110.191 108.800 0.171 0.000 2.664 344 G HA2 0.146 4.107 3.960 0.001 0.000 0.242 344 G HA3 0.146 4.107 3.960 0.001 0.000 0.242 344 G C 0.403 175.274 174.900 -0.048 0.000 1.225 344 G CA 0.452 45.582 45.100 0.050 0.000 0.849 344 G HN 1.016 nan 8.290 nan 0.000 0.581 345 E N -1.512 118.622 120.200 -0.110 0.000 3.562 345 E HA -0.307 4.043 4.350 0.001 0.000 0.298 345 E C 1.337 177.965 176.600 0.046 0.000 0.830 345 E CA 1.703 58.007 56.400 -0.160 0.000 1.013 345 E CB -1.562 27.729 29.700 -0.683 0.000 1.510 345 E HN 2.454 nan 8.360 nan 0.000 0.463 346 G N 0.154 108.987 108.800 0.055 0.000 2.159 346 G HA2 -0.308 3.653 3.960 0.001 0.000 0.227 346 G HA3 -0.308 3.653 3.960 0.001 0.000 0.227 346 G C 0.650 175.651 174.900 0.169 0.000 0.986 346 G CA 0.537 45.698 45.100 0.101 0.000 0.651 346 G HN 0.731 nan 8.290 nan 0.000 0.523 347 L N 0.654 121.955 121.223 0.130 0.000 2.353 347 L HA 0.132 4.473 4.340 0.001 0.000 0.220 347 L C 2.110 179.052 176.870 0.120 0.000 1.133 347 L CA 2.856 57.756 54.840 0.099 0.000 0.798 347 L CB -0.586 41.467 42.059 -0.010 0.000 0.922 347 L HN 0.513 nan 8.230 nan 0.000 0.445 348 H N 0.085 119.213 119.070 0.098 0.000 2.253 348 H HA -0.195 4.362 4.556 0.001 0.000 0.296 348 H C 2.137 177.424 175.328 -0.067 0.000 1.074 348 H CA 2.510 58.593 56.048 0.057 0.000 1.263 348 H CB -0.071 29.631 29.762 -0.099 0.000 1.363 348 H HN 0.534 nan 8.280 nan 0.000 0.489 349 Q N 0.255 120.004 119.800 -0.084 0.000 2.297 349 Q HA -0.097 4.244 4.340 0.001 0.000 0.208 349 Q C 2.323 178.247 176.000 -0.126 0.000 0.981 349 Q CA 1.225 56.866 55.803 -0.270 0.000 0.876 349 Q CB -0.607 27.732 28.738 -0.665 0.000 0.921 349 Q HN 0.588 nan 8.270 nan 0.000 0.446 350 A N 1.840 124.709 122.820 0.081 0.000 1.872 350 A HA -0.024 4.296 4.320 0.001 0.000 0.214 350 A C 2.217 179.774 177.584 -0.044 0.000 1.187 350 A CA 0.855 52.967 52.037 0.124 0.000 0.614 350 A CB -0.490 18.594 19.000 0.141 0.000 0.826 350 A HN 0.309 nan 8.150 nan 0.000 0.442 351 I N -0.275 120.224 120.570 -0.118 0.000 2.756 351 I HA -0.188 3.983 4.170 0.001 0.000 0.262 351 I C 2.152 178.098 176.117 -0.286 0.000 1.225 351 I CA 1.174 62.354 61.300 -0.200 0.000 1.472 351 I CB -0.407 37.419 38.000 -0.291 0.000 1.094 351 I HN 0.505 nan 8.210 nan 0.000 0.454 352 E N 0.837 120.853 120.200 -0.307 0.000 2.140 352 E HA -0.026 4.325 4.350 0.001 0.000 0.191 352 E C 2.345 178.787 176.600 -0.264 0.000 0.973 352 E CA 0.843 57.074 56.400 -0.283 0.000 0.829 352 E CB 0.037 29.570 29.700 -0.279 0.000 0.781 352 E HN 0.405 nan 8.360 nan 0.000 0.466 353 A N 1.640 124.263 122.820 -0.328 0.000 1.969 353 A HA -0.189 4.132 4.320 0.001 0.000 0.218 353 A C 2.055 179.429 177.584 -0.349 0.000 1.169 353 A CA 1.495 53.177 52.037 -0.591 0.000 0.635 353 A CB -0.185 18.554 19.000 -0.435 0.000 0.810 353 A HN -0.037 nan 8.150 nan 0.000 0.445 354 K N 0.096 120.394 120.400 -0.169 0.000 2.062 354 K HA -0.029 4.292 4.320 0.001 0.000 0.205 354 K C 1.508 178.091 176.600 -0.030 0.000 1.051 354 K CA 1.308 57.556 56.287 -0.066 0.000 0.941 354 K CB -0.073 32.424 32.500 -0.006 0.000 0.719 354 K HN 0.256 nan 8.250 nan 0.000 0.440 355 E N -0.176 120.001 120.200 -0.039 0.000 2.494 355 E HA 0.067 4.418 4.350 0.001 0.000 0.193 355 E C 0.461 177.070 176.600 0.015 0.000 1.074 355 E CA 0.622 57.028 56.400 0.011 0.000 0.867 355 E CB -0.093 29.619 29.700 0.020 0.000 0.924 355 E HN 0.540 nan 8.360 nan 0.000 0.502 356 G N 0.968 109.765 108.800 -0.005 0.000 2.187 356 G HA2 -0.310 3.651 3.960 0.001 0.000 0.261 356 G HA3 -0.310 3.651 3.960 0.001 0.000 0.261 356 G C 0.535 175.533 174.900 0.163 0.000 1.000 356 G CA 0.635 45.808 45.100 0.122 0.000 0.718 356 G HN 0.200 nan 8.290 nan 0.000 0.519 357 V N 1.236 121.185 119.914 0.059 0.000 2.555 357 V HA 0.234 4.355 4.120 0.001 0.000 0.286 357 V C 1.490 177.667 176.094 0.138 0.000 1.044 357 V CA -0.475 61.860 62.300 0.058 0.000 1.026 357 V CB 0.928 32.733 31.823 -0.030 0.000 0.981 357 V HN 0.447 nan 8.190 nan 0.000 0.480 358 R N 4.157 124.738 120.500 0.134 0.000 2.583 358 R HA 0.197 4.538 4.340 0.001 0.000 0.274 358 R C -0.404 175.956 176.300 0.100 0.000 0.998 358 R CA 0.223 56.407 56.100 0.140 0.000 1.081 358 R CB 0.207 30.539 30.300 0.054 0.000 0.940 358 R HN 0.565 nan 8.270 nan 0.000 0.413 359 I N 2.156 122.807 120.570 0.135 0.000 2.676 359 I HA 0.105 4.275 4.170 0.001 0.000 0.309 359 I C 0.968 177.095 176.117 0.017 0.000 0.990 359 I CA -0.827 60.496 61.300 0.040 0.000 1.168 359 I CB 1.409 39.422 38.000 0.021 0.000 1.343 359 I HN 0.626 nan 8.210 nan 0.000 0.482 360 E N 6.311 126.505 120.200 -0.011 0.000 2.392 360 E HA 0.142 4.493 4.350 0.001 0.000 0.256 360 E C -0.846 175.759 176.600 0.008 0.000 1.145 360 E CA -0.290 56.114 56.400 0.006 0.000 0.929 360 E CB 0.883 30.600 29.700 0.028 0.000 0.998 360 E HN 0.631 nan 8.360 nan 0.000 0.442 361 R N 1.303 121.810 120.500 0.012 0.000 2.627 361 R HA 0.308 4.649 4.340 0.001 0.000 0.251 361 R C -0.523 175.781 176.300 0.007 0.000 1.524 361 R CA -0.423 55.685 56.100 0.013 0.000 1.606 361 R CB 0.028 30.334 30.300 0.011 0.000 1.396 361 R HN 0.688 nan 8.270 nan 0.000 0.724 362 E N 0.762 120.965 120.200 0.006 0.000 2.446 362 E HA 0.299 4.650 4.350 0.001 0.000 0.267 362 E C -0.641 175.943 176.600 -0.026 0.000 0.955 362 E CA -1.130 55.262 56.400 -0.012 0.000 0.842 362 E CB 0.803 30.489 29.700 -0.023 0.000 1.504 362 E HN 0.230 nan 8.360 nan 0.000 0.438 363 N N 0.384 119.056 118.700 -0.046 0.000 2.317 363 N HA 0.137 4.878 4.740 0.001 0.000 0.245 363 N C -0.487 174.949 175.510 -0.124 0.000 1.294 363 N CA -0.055 52.956 53.050 -0.064 0.000 0.924 363 N CB 1.373 39.825 38.487 -0.057 0.000 1.186 363 N HN 0.473 nan 8.380 nan 0.000 0.495 364 Q N -1.564 118.155 119.800 -0.135 0.000 2.647 364 Q HA 0.263 4.604 4.340 0.001 0.000 0.283 364 Q C -1.639 174.268 176.000 -0.155 0.000 0.943 364 Q CA -0.484 55.185 55.803 -0.223 0.000 0.813 364 Q CB 1.357 29.900 28.738 -0.324 0.000 1.477 364 Q HN 0.679 nan 8.270 nan 0.000 0.393 365 T N 2.730 117.177 114.554 -0.179 0.000 2.902 365 T HA 0.214 4.565 4.350 0.001 0.000 0.301 365 T C 0.683 175.317 174.700 -0.111 0.000 1.012 365 T CA 0.350 62.373 62.100 -0.128 0.000 1.151 365 T CB 0.125 68.903 68.868 -0.151 0.000 0.946 365 T HN 0.484 nan 8.240 nan 0.000 0.542 366 L N 1.329 122.521 121.223 -0.051 0.000 2.642 366 L HA 0.492 4.833 4.340 0.001 0.000 0.233 366 L C 0.912 177.820 176.870 0.063 0.000 1.077 366 L CA -0.072 54.762 54.840 -0.011 0.000 0.879 366 L CB 0.289 42.355 42.059 0.013 0.000 1.151 366 L HN 0.731 nan 8.230 nan 0.000 0.495 367 A N -0.327 122.541 122.820 0.079 0.000 2.565 367 A HA 0.687 5.008 4.320 0.001 0.000 0.298 367 A C -0.911 176.763 177.584 0.151 0.000 1.062 367 A CA -0.253 51.898 52.037 0.190 0.000 0.723 367 A CB 1.361 20.506 19.000 0.242 0.000 1.282 367 A HN -0.074 nan 8.150 nan 0.000 0.400 368 T N 1.705 116.355 114.554 0.159 0.000 3.105 368 T HA 0.588 4.939 4.350 0.001 0.000 0.321 368 T C -1.213 173.544 174.700 0.095 0.000 1.135 368 T CA -0.171 61.987 62.100 0.096 0.000 1.053 368 T CB 1.249 70.139 68.868 0.038 0.000 1.133 368 T HN 1.289 nan 8.240 nan 0.000 0.463 369 I N 2.051 122.630 120.570 0.015 0.000 2.686 369 I HA 0.667 4.838 4.170 0.001 0.000 0.295 369 I C -0.319 175.732 176.117 -0.110 0.000 1.114 369 I CA -0.172 61.104 61.300 -0.040 0.000 1.038 369 I CB 2.423 40.330 38.000 -0.155 0.000 1.238 369 I HN 0.628 nan 8.210 nan 0.000 0.420 370 T N 5.428 119.972 114.554 -0.017 0.000 2.744 370 T HA 0.277 4.628 4.350 0.001 0.000 0.291 370 T C 0.891 175.666 174.700 0.124 0.000 0.957 370 T CA 0.193 62.321 62.100 0.046 0.000 1.002 370 T CB 0.156 69.091 68.868 0.111 0.000 0.919 370 T HN 0.547 nan 8.240 nan 0.000 0.468 371 Y N 2.871 123.236 120.300 0.110 0.000 2.332 371 Y HA -0.277 4.273 4.550 0.001 0.000 0.283 371 Y C 2.421 178.543 175.900 0.370 0.000 1.186 371 Y CA 1.345 59.578 58.100 0.221 0.000 1.266 371 Y CB -0.036 38.569 38.460 0.242 0.000 0.973 371 Y HN 0.670 nan 8.280 nan 0.000 0.548 372 Q N -0.202 119.887 119.800 0.481 0.000 1.922 372 Q HA -0.129 4.212 4.340 0.001 0.000 0.201 372 Q C 2.018 178.278 176.000 0.433 0.000 0.979 372 Q CA 1.442 57.562 55.803 0.529 0.000 0.841 372 Q CB -0.477 28.423 28.738 0.271 0.000 0.903 372 Q HN 0.291 nan 8.270 nan 0.000 0.431 373 N N -0.005 118.849 118.700 0.257 0.000 2.205 373 N HA -0.153 4.588 4.740 0.001 0.000 0.186 373 N C 1.451 177.075 175.510 0.190 0.000 1.015 373 N CA 0.781 53.947 53.050 0.194 0.000 0.862 373 N CB -0.281 38.288 38.487 0.137 0.000 0.986 373 N HN 0.148 nan 8.380 nan 0.000 0.429 374 F N 1.372 121.292 119.950 -0.051 0.000 1.997 374 F HA -0.118 4.410 4.527 0.001 0.000 0.296 374 F C 1.967 177.704 175.800 -0.105 0.000 1.160 374 F CA 1.302 59.139 58.000 -0.272 0.000 1.176 374 F CB -1.218 37.477 39.000 -0.507 0.000 0.964 374 F HN -0.099 nan 8.300 nan 0.000 0.484 375 F N 0.564 120.268 119.950 -0.410 0.000 2.346 375 F HA -0.154 4.374 4.527 0.001 0.000 0.301 375 F C 2.569 178.247 175.800 -0.204 0.000 1.070 375 F CA 1.178 58.805 58.000 -0.622 0.000 1.407 375 F CB -0.496 38.149 39.000 -0.592 0.000 1.072 375 F HN 0.017 nan 8.300 nan 0.000 0.543 376 R N 0.368 120.978 120.500 0.183 0.000 2.235 376 R HA -0.067 4.274 4.340 0.001 0.000 0.213 376 R C 1.881 178.277 176.300 0.159 0.000 1.059 376 R CA 0.525 56.757 56.100 0.219 0.000 0.997 376 R CB -0.096 30.341 30.300 0.227 0.000 0.884 376 R HN 0.370 nan 8.270 nan 0.000 0.462 377 L N -0.583 120.715 121.223 0.126 0.000 2.179 377 L HA -0.037 4.304 4.340 0.001 0.000 0.208 377 L C 0.436 177.404 176.870 0.163 0.000 1.096 377 L CA 0.150 55.069 54.840 0.132 0.000 0.779 377 L CB -0.383 41.738 42.059 0.104 0.000 0.922 377 L HN 0.053 nan 8.230 nan 0.000 0.443 378 Y N 1.207 121.476 120.300 -0.051 0.000 2.890 378 Y HA -0.206 4.345 4.550 0.001 0.000 0.341 378 Y C 1.756 177.684 175.900 0.047 0.000 1.269 378 Y CA 0.477 58.581 58.100 0.006 0.000 1.517 378 Y CB 0.125 38.571 38.460 -0.023 0.000 1.314 378 Y HN 0.060 nan 8.280 nan 0.000 0.622 379 E N 1.253 121.554 120.200 0.168 0.000 2.204 379 E HA -0.158 4.193 4.350 0.001 0.000 0.195 379 E C 0.090 176.750 176.600 0.100 0.000 0.990 379 E CA 1.005 57.476 56.400 0.118 0.000 0.821 379 E CB 0.224 29.989 29.700 0.108 0.000 0.750 379 E HN 0.487 nan 8.360 nan 0.000 0.477 380 K N 0.081 120.576 120.400 0.158 0.000 2.589 380 K HA 0.146 4.467 4.320 0.001 0.000 0.253 380 K C -1.477 175.278 176.600 0.257 0.000 0.974 380 K CA -0.835 55.558 56.287 0.176 0.000 0.835 380 K CB 0.920 33.477 32.500 0.095 0.000 1.272 380 K HN -0.110 nan 8.250 nan 0.000 0.444 381 R N 2.271 122.825 120.500 0.090 0.000 2.787 381 R HA 0.924 5.265 4.340 0.001 0.000 0.271 381 R C -0.927 175.307 176.300 -0.110 0.000 0.993 381 R CA -0.889 55.142 56.100 -0.115 0.000 0.993 381 R CB 1.750 31.925 30.300 -0.208 0.000 1.155 381 R HN 0.584 nan 8.270 nan 0.000 0.486 382 A N -0.334 122.321 122.820 -0.274 0.000 2.536 382 A HA 0.841 5.162 4.320 0.001 0.000 0.293 382 A C -1.020 176.343 177.584 -0.369 0.000 1.119 382 A CA -0.225 51.676 52.037 -0.227 0.000 0.654 382 A CB 1.582 20.542 19.000 -0.067 0.000 1.291 382 A HN 1.080 nan 8.150 nan 0.000 0.439 383 G N -1.181 107.432 108.800 -0.311 0.000 2.356 383 G HA2 0.702 4.663 3.960 0.001 0.000 0.294 383 G HA3 0.702 4.663 3.960 0.001 0.000 0.294 383 G C -1.113 173.629 174.900 -0.262 0.000 1.423 383 G CA -0.004 44.887 45.100 -0.349 0.000 0.806 383 G HN 1.806 nan 8.290 nan 0.000 0.527 384 M N -0.736 118.721 119.600 -0.240 0.000 2.520 384 M HA 0.880 5.361 4.480 0.001 0.000 0.283 384 M C -0.907 175.309 176.300 -0.139 0.000 1.237 384 M CA -0.875 54.327 55.300 -0.164 0.000 0.885 384 M CB 2.120 34.649 32.600 -0.119 0.000 1.727 384 M HN 1.154 nan 8.290 nan 0.000 0.468 385 T N -0.399 114.100 114.554 -0.092 0.000 2.927 385 T HA 0.423 4.774 4.350 0.001 0.000 0.350 385 T C 0.369 175.052 174.700 -0.027 0.000 1.746 385 T CA 0.163 62.227 62.100 -0.059 0.000 1.081 385 T CB 1.282 70.115 68.868 -0.058 0.000 1.551 385 T HN 1.022 nan 8.240 nan 0.000 0.489 386 G N 1.176 109.967 108.800 -0.016 0.000 2.484 386 G HA2 0.234 4.195 3.960 0.001 0.000 0.218 386 G HA3 0.234 4.195 3.960 0.001 0.000 0.218 386 G C 0.571 175.473 174.900 0.003 0.000 1.130 386 G CA 1.064 46.161 45.100 -0.005 0.000 0.784 386 G HN 1.233 nan 8.290 nan 0.000 0.543 387 T N -3.331 111.228 114.554 0.008 0.000 2.934 387 T HA 0.731 5.081 4.350 0.001 0.000 0.328 387 T C 0.082 174.822 174.700 0.066 0.000 1.068 387 T CA 0.016 62.128 62.100 0.021 0.000 1.018 387 T CB 1.718 70.588 68.868 0.003 0.000 1.009 387 T HN 0.323 nan 8.240 nan 0.000 0.471 388 A N 2.844 125.724 122.820 0.100 0.000 1.998 388 A HA 0.343 4.664 4.320 0.001 0.000 0.180 388 A C 1.867 179.575 177.584 0.206 0.000 1.858 388 A CA -0.209 51.974 52.037 0.243 0.000 1.403 388 A CB -0.171 18.994 19.000 0.274 0.000 1.550 388 A HN 0.494 nan 8.150 nan 0.000 0.385 389 K N 0.961 121.429 120.400 0.113 0.000 2.173 389 K HA -0.152 4.169 4.320 0.001 0.000 0.207 389 K C 1.683 178.290 176.600 0.013 0.000 1.046 389 K CA 2.020 58.350 56.287 0.071 0.000 0.929 389 K CB -0.626 31.897 32.500 0.039 0.000 0.720 389 K HN 0.527 nan 8.250 nan 0.000 0.453 390 T N 1.448 115.995 114.554 -0.011 0.000 2.803 390 T HA -0.123 4.228 4.350 0.001 0.000 0.269 390 T C 0.723 175.344 174.700 -0.131 0.000 1.052 390 T CA 1.266 63.327 62.100 -0.065 0.000 1.136 390 T CB 0.006 68.837 68.868 -0.061 0.000 0.864 390 T HN 0.291 nan 8.240 nan 0.000 0.467 391 E N 0.552 120.639 120.200 -0.189 0.000 2.815 391 E HA 0.182 4.533 4.350 0.001 0.000 0.211 391 E C 1.125 177.432 176.600 -0.488 0.000 1.004 391 E CA -0.138 56.028 56.400 -0.391 0.000 1.173 391 E CB 0.313 29.659 29.700 -0.589 0.000 1.163 391 E HN 0.606 nan 8.360 nan 0.000 0.449 392 E N 2.114 122.214 120.200 -0.166 0.000 2.051 392 E HA -0.196 4.155 4.350 0.001 0.000 0.192 392 E C 1.825 178.402 176.600 -0.038 0.000 0.991 392 E CA 1.048 57.450 56.400 0.003 0.000 0.799 392 E CB 0.205 29.941 29.700 0.060 0.000 0.748 392 E HN 0.031 nan 8.360 nan 0.000 0.449 393 K N 0.333 120.685 120.400 -0.081 0.000 2.218 393 K HA -0.226 4.095 4.320 0.001 0.000 0.205 393 K C 2.014 178.571 176.600 -0.071 0.000 1.046 393 K CA 1.464 57.714 56.287 -0.062 0.000 0.933 393 K CB 0.002 32.454 32.500 -0.080 0.000 0.728 393 K HN 0.234 nan 8.250 nan 0.000 0.454 394 E N -0.437 119.668 120.200 -0.159 0.000 2.016 394 E HA -0.122 4.229 4.350 0.001 0.000 0.190 394 E C 1.846 178.401 176.600 -0.075 0.000 0.985 394 E CA 1.042 57.361 56.400 -0.134 0.000 0.802 394 E CB -0.146 29.428 29.700 -0.209 0.000 0.762 394 E HN 0.260 nan 8.360 nan 0.000 0.448 395 F N 1.432 121.400 119.950 0.031 0.000 2.063 395 F HA -0.351 4.177 4.527 0.001 0.000 0.298 395 F C 2.773 178.594 175.800 0.034 0.000 1.109 395 F CA 1.295 59.347 58.000 0.086 0.000 1.212 395 F CB -0.370 38.690 39.000 0.100 0.000 0.973 395 F HN 0.123 nan 8.300 nan 0.000 0.480 396 Q N 0.017 119.946 119.800 0.216 0.000 2.062 396 Q HA -0.282 4.059 4.340 0.001 0.000 0.209 396 Q C 2.078 178.111 176.000 0.055 0.000 0.996 396 Q CA 2.100 57.972 55.803 0.114 0.000 0.859 396 Q CB -0.304 28.474 28.738 0.067 0.000 0.920 396 Q HN 0.337 nan 8.270 nan 0.000 0.415 397 E N 0.196 120.404 120.200 0.013 0.000 2.072 397 E HA -0.068 4.283 4.350 0.001 0.000 0.190 397 E C 1.752 178.307 176.600 -0.075 0.000 0.982 397 E CA 0.876 57.262 56.400 -0.024 0.000 0.803 397 E CB 0.075 29.758 29.700 -0.028 0.000 0.755 397 E HN 0.321 nan 8.360 nan 0.000 0.453 398 I N -1.101 119.365 120.570 -0.173 0.000 2.494 398 I HA -0.152 4.019 4.170 0.001 0.000 0.250 398 I C 0.906 176.790 176.117 -0.389 0.000 1.112 398 I CA 0.738 61.817 61.300 -0.368 0.000 1.438 398 I CB 0.154 37.768 38.000 -0.643 0.000 1.111 398 I HN 0.130 nan 8.210 nan 0.000 0.431 399 Y N 0.172 120.526 120.300 0.090 0.000 2.467 399 Y HA 0.381 4.931 4.550 0.001 0.000 0.250 399 Y C 1.786 177.709 175.900 0.039 0.000 1.155 399 Y CA -0.007 58.126 58.100 0.055 0.000 1.249 399 Y CB 0.070 38.543 38.460 0.022 0.000 1.146 399 Y HN 0.224 nan 8.280 nan 0.000 0.524 400 G N 0.429 109.308 108.800 0.132 0.000 2.212 400 G HA2 -0.343 3.618 3.960 0.001 0.000 0.266 400 G HA3 -0.343 3.618 3.960 0.001 0.000 0.266 400 G C 0.357 175.315 174.900 0.097 0.000 0.978 400 G CA 0.293 45.451 45.100 0.096 0.000 0.632 400 G HN 0.268 nan 8.290 nan 0.000 0.537 401 M N 1.532 121.210 119.600 0.130 0.000 2.200 401 M HA 0.322 4.803 4.480 0.001 0.000 0.355 401 M C -0.109 176.255 176.300 0.107 0.000 1.283 401 M CA -0.061 55.287 55.300 0.079 0.000 1.124 401 M CB 0.469 33.070 32.600 0.001 0.000 1.625 401 M HN 0.035 nan 8.290 nan 0.000 0.463 402 D N 1.833 122.277 120.400 0.073 0.000 2.388 402 D HA 0.480 5.121 4.640 0.001 0.000 0.254 402 D C -0.712 175.639 176.300 0.086 0.000 1.111 402 D CA -0.247 53.803 54.000 0.084 0.000 0.993 402 D CB 1.834 42.667 40.800 0.056 0.000 1.118 402 D HN 0.223 nan 8.370 nan 0.000 0.502 403 V N 1.178 121.153 119.914 0.102 0.000 2.459 403 V HA 0.343 4.464 4.120 0.001 0.000 0.295 403 V C 0.015 176.153 176.094 0.073 0.000 1.029 403 V CA -0.739 61.618 62.300 0.096 0.000 0.874 403 V CB 1.919 33.834 31.823 0.153 0.000 0.985 403 V HN 0.214 nan 8.190 nan 0.000 0.438 404 V N 5.184 125.139 119.914 0.068 0.000 2.448 404 V HA 0.373 4.494 4.120 0.001 0.000 0.295 404 V C -0.169 175.965 176.094 0.066 0.000 1.025 404 V CA -0.651 61.699 62.300 0.084 0.000 0.859 404 V CB 2.105 34.020 31.823 0.153 0.000 0.988 404 V HN 0.632 nan 8.190 nan 0.000 0.431 405 V N 6.045 125.993 119.914 0.056 0.000 2.322 405 V HA 0.220 4.341 4.120 0.001 0.000 0.258 405 V C 0.267 176.388 176.094 0.044 0.000 1.074 405 V CA -0.458 61.867 62.300 0.042 0.000 0.909 405 V CB 0.913 32.755 31.823 0.033 0.000 1.090 405 V HN 0.607 nan 8.190 nan 0.000 0.486 406 V N 7.585 127.522 119.914 0.038 0.000 2.637 406 V HA 0.182 4.303 4.120 0.001 0.000 0.296 406 V C -1.721 174.386 176.094 0.021 0.000 1.046 406 V CA -1.270 61.047 62.300 0.029 0.000 1.066 406 V CB 0.841 32.670 31.823 0.010 0.000 0.968 406 V HN 0.698 nan 8.190 nan 0.000 0.483 407 P HA 0.136 nan 4.420 nan 0.000 0.267 407 P C 0.133 177.451 177.300 0.030 0.000 1.200 407 P CA 0.128 63.246 63.100 0.030 0.000 0.772 407 P CB 0.300 32.027 31.700 0.045 0.000 0.855 408 T N 1.022 115.593 114.554 0.029 0.000 2.828 408 T HA 0.042 4.392 4.350 0.001 0.000 0.290 408 T C 1.430 176.144 174.700 0.024 0.000 1.019 408 T CA -0.246 61.868 62.100 0.025 0.000 1.031 408 T CB 0.314 69.191 68.868 0.015 0.000 1.001 408 T HN 0.450 nan 8.240 nan 0.000 0.531 409 N N 0.226 118.931 118.700 0.009 0.000 2.132 409 N HA -0.009 4.732 4.740 0.001 0.000 0.187 409 N C 0.243 175.723 175.510 -0.051 0.000 1.038 409 N CA 0.601 53.628 53.050 -0.038 0.000 0.846 409 N CB 0.273 38.691 38.487 -0.115 0.000 1.012 409 N HN 0.344 nan 8.380 nan 0.000 0.429 410 R N 0.927 121.400 120.500 -0.045 0.000 2.494 410 R HA 0.388 4.729 4.340 0.001 0.000 0.305 410 R C -2.623 173.668 176.300 -0.015 0.000 0.959 410 R CA -1.854 54.224 56.100 -0.037 0.000 0.864 410 R CB 1.856 32.126 30.300 -0.050 0.000 1.159 410 R HN 0.134 nan 8.270 nan 0.000 0.446 411 P HA -0.111 nan 4.420 nan 0.000 0.261 411 P C -0.400 176.897 177.300 -0.004 0.000 1.165 411 P CA 0.181 63.279 63.100 -0.003 0.000 0.759 411 P CB 0.343 32.041 31.700 -0.003 0.000 0.772 412 V N 5.331 125.242 119.914 -0.004 0.000 2.655 412 V HA 0.023 4.144 4.120 0.001 0.000 0.300 412 V C 1.582 177.670 176.094 -0.010 0.000 1.044 412 V CA 0.792 63.088 62.300 -0.007 0.000 1.095 412 V CB 0.458 32.275 31.823 -0.010 0.000 0.952 412 V HN 0.585 nan 8.190 nan 0.000 0.485 413 I N 2.194 122.759 120.570 -0.009 0.000 4.526 413 I HA 0.192 4.363 4.170 0.001 0.000 0.330 413 I C 1.362 177.470 176.117 -0.016 0.000 1.323 413 I CA -0.244 61.051 61.300 -0.009 0.000 1.218 413 I CB 0.379 38.380 38.000 0.002 0.000 1.233 413 I HN 0.582 nan 8.210 nan 0.000 0.430 414 R N 2.825 123.313 120.500 -0.020 0.000 2.619 414 R HA -0.049 4.292 4.340 0.001 0.000 0.268 414 R C -0.320 175.927 176.300 -0.089 0.000 0.990 414 R CA 0.806 56.886 56.100 -0.033 0.000 1.092 414 R CB 0.442 30.721 30.300 -0.035 0.000 0.935 414 R HN 0.040 nan 8.270 nan 0.000 0.415 415 K N 3.614 123.929 120.400 -0.141 0.000 2.354 415 K HA 0.137 4.458 4.320 0.001 0.000 0.257 415 K C -1.229 175.014 176.600 -0.596 0.000 1.062 415 K CA -0.532 55.540 56.287 -0.357 0.000 0.971 415 K CB 1.083 33.358 32.500 -0.376 0.000 1.305 415 K HN 0.505 nan 8.250 nan 0.000 0.449 416 D N 3.573 123.727 120.400 -0.409 0.000 2.352 416 D HA 0.100 4.741 4.640 0.001 0.000 0.245 416 D C 0.094 176.177 176.300 -0.361 0.000 1.224 416 D CA 0.184 54.005 54.000 -0.298 0.000 0.879 416 D CB 0.389 41.115 40.800 -0.122 0.000 1.057 416 D HN 0.181 nan 8.370 nan 0.000 0.491 417 F N 1.902 121.900 119.950 0.080 0.000 2.375 417 F HA 0.242 4.769 4.527 0.001 0.000 0.313 417 F C -1.118 174.711 175.800 0.048 0.000 1.176 417 F CA -1.520 56.525 58.000 0.075 0.000 1.142 417 F CB 0.053 39.122 39.000 0.114 0.000 1.275 417 F HN 0.166 nan 8.300 nan 0.000 0.544 418 P HA 0.091 nan 4.420 nan 0.000 0.317 418 P C -1.221 176.132 177.300 0.089 0.000 1.316 418 P CA -0.137 63.032 63.100 0.116 0.000 0.744 418 P CB 0.416 32.163 31.700 0.078 0.000 1.521 419 D N -1.648 118.764 120.400 0.020 0.000 2.440 419 D HA 0.489 5.130 4.640 0.001 0.000 0.258 419 D C -0.932 175.295 176.300 -0.120 0.000 1.092 419 D CA -0.148 53.841 54.000 -0.017 0.000 1.016 419 D CB 0.670 41.470 40.800 0.001 0.000 1.141 419 D HN -0.142 nan 8.370 nan 0.000 0.552 420 V N 0.975 120.754 119.914 -0.224 0.000 2.524 420 V HA 0.298 4.419 4.120 0.001 0.000 0.297 420 V C -0.427 175.522 176.094 -0.243 0.000 1.035 420 V CA -0.772 61.345 62.300 -0.305 0.000 0.867 420 V CB 1.819 33.370 31.823 -0.453 0.000 1.004 420 V HN 0.276 nan 8.190 nan 0.000 0.426 421 V N 5.171 124.909 119.914 -0.294 0.000 2.532 421 V HA 0.589 4.709 4.120 0.001 0.000 0.295 421 V C -0.903 174.899 176.094 -0.486 0.000 1.041 421 V CA -0.698 61.463 62.300 -0.232 0.000 0.926 421 V CB 1.537 33.275 31.823 -0.141 0.000 0.992 421 V HN 0.746 nan 8.190 nan 0.000 0.457 422 Y N 1.790 121.976 120.300 -0.190 0.000 2.545 422 Y HA 0.470 5.021 4.550 0.001 0.000 0.348 422 Y C 1.059 176.662 175.900 -0.496 0.000 1.002 422 Y CA -0.815 57.141 58.100 -0.241 0.000 1.039 422 Y CB 2.153 40.556 38.460 -0.095 0.000 1.271 422 Y HN 0.471 nan 8.280 nan 0.000 0.467 423 R N 0.231 120.517 120.500 -0.356 0.000 2.066 423 R HA -0.065 4.276 4.340 0.001 0.000 0.232 423 R C 0.430 176.546 176.300 -0.307 0.000 1.131 423 R CA 1.480 57.190 56.100 -0.650 0.000 0.955 423 R CB -0.075 30.051 30.300 -0.289 0.000 0.851 423 R HN 0.665 nan 8.270 nan 0.000 0.432 424 T N -0.427 114.081 114.554 -0.075 0.000 2.875 424 T HA 0.058 4.409 4.350 0.001 0.000 0.284 424 T C 0.814 175.529 174.700 0.026 0.000 0.995 424 T CA -0.473 61.630 62.100 0.004 0.000 1.060 424 T CB 1.807 70.702 68.868 0.046 0.000 0.967 424 T HN 0.370 nan 8.240 nan 0.000 0.476 425 E N 3.301 123.533 120.200 0.052 0.000 2.153 425 E HA -0.146 4.204 4.350 0.001 0.000 0.194 425 E C 1.909 178.578 176.600 0.115 0.000 0.988 425 E CA 1.332 57.778 56.400 0.077 0.000 0.811 425 E CB -0.031 29.744 29.700 0.125 0.000 0.746 425 E HN 0.741 nan 8.360 nan 0.000 0.466 426 K N -0.240 120.212 120.400 0.087 0.000 2.026 426 K HA -0.110 4.211 4.320 0.001 0.000 0.208 426 K C 2.116 178.737 176.600 0.034 0.000 1.048 426 K CA 1.548 57.855 56.287 0.034 0.000 0.929 426 K CB -0.440 32.075 32.500 0.026 0.000 0.713 426 K HN 0.245 nan 8.250 nan 0.000 0.439 427 G N 1.144 109.995 108.800 0.086 0.000 2.443 427 G HA2 -0.258 3.702 3.960 0.001 0.000 0.219 427 G HA3 -0.258 3.702 3.960 0.001 0.000 0.219 427 G C 1.412 176.127 174.900 -0.310 0.000 1.131 427 G CA 0.751 45.880 45.100 0.048 0.000 0.775 427 G HN 0.336 nan 8.290 nan 0.000 0.547 428 K N -0.419 119.827 120.400 -0.256 0.000 2.026 428 K HA -0.026 4.295 4.320 0.001 0.000 0.208 428 K C 2.111 178.496 176.600 -0.357 0.000 1.048 428 K CA 0.942 57.021 56.287 -0.347 0.000 0.929 428 K CB -0.317 32.112 32.500 -0.119 0.000 0.713 428 K HN 0.318 nan 8.250 nan 0.000 0.439 429 F N 0.183 120.011 119.950 -0.203 0.000 2.102 429 F HA -0.201 4.326 4.527 0.001 0.000 0.298 429 F C 2.086 177.782 175.800 -0.173 0.000 1.105 429 F CA 1.452 59.319 58.000 -0.222 0.000 1.239 429 F CB -0.458 38.391 39.000 -0.251 0.000 0.991 429 F HN 0.076 nan 8.300 nan 0.000 0.474 430 Y N -0.257 120.068 120.300 0.042 0.000 2.139 430 Y HA -0.388 4.163 4.550 0.001 0.000 0.282 430 Y C 2.531 178.443 175.900 0.020 0.000 1.179 430 Y CA 0.983 59.119 58.100 0.060 0.000 1.161 430 Y CB -0.768 37.655 38.460 -0.061 0.000 0.970 430 Y HN 0.086 nan 8.280 nan 0.000 0.511 431 A N -0.336 122.476 122.820 -0.013 0.000 1.883 431 A HA -0.198 4.123 4.320 0.001 0.000 0.217 431 A C 2.349 179.922 177.584 -0.018 0.000 1.186 431 A CA 2.103 54.106 52.037 -0.056 0.000 0.624 431 A CB -1.277 17.524 19.000 -0.332 0.000 0.822 431 A HN 0.246 nan 8.150 nan 0.000 0.444 432 V N -0.014 119.767 119.914 -0.221 0.000 2.255 432 V HA -0.293 3.828 4.120 0.001 0.000 0.247 432 V C 2.583 178.598 176.094 -0.132 0.000 1.051 432 V CA 2.144 64.218 62.300 -0.376 0.000 1.018 432 V CB -1.217 30.317 31.823 -0.481 0.000 0.641 432 V HN 0.393 nan 8.190 nan 0.000 0.445 433 V N 0.125 120.018 119.914 -0.034 0.000 2.250 433 V HA -0.381 3.740 4.120 0.001 0.000 0.250 433 V C 2.430 178.494 176.094 -0.049 0.000 1.060 433 V CA 2.509 64.788 62.300 -0.034 0.000 1.030 433 V CB -1.001 30.835 31.823 0.020 0.000 0.643 433 V HN 0.636 nan 8.190 nan 0.000 0.445 434 E N -0.312 119.890 120.200 0.003 0.000 2.130 434 E HA -0.319 4.032 4.350 0.001 0.000 0.196 434 E C 2.236 178.847 176.600 0.018 0.000 0.998 434 E CA 1.746 58.150 56.400 0.007 0.000 0.806 434 E CB -0.162 29.594 29.700 0.094 0.000 0.738 434 E HN 0.690 nan 8.360 nan 0.000 0.459 435 E N 0.456 120.678 120.200 0.037 0.000 2.112 435 E HA -0.077 4.274 4.350 0.001 0.000 0.190 435 E C 1.957 178.574 176.600 0.028 0.000 0.979 435 E CA 0.446 56.882 56.400 0.061 0.000 0.814 435 E CB 0.103 29.903 29.700 0.166 0.000 0.762 435 E HN 0.200 nan 8.360 nan 0.000 0.460 436 I N 0.405 120.974 120.570 -0.002 0.000 2.142 436 I HA -0.288 3.883 4.170 0.001 0.000 0.240 436 I C 2.419 178.538 176.117 0.003 0.000 1.078 436 I CA 1.027 62.319 61.300 -0.014 0.000 1.343 436 I CB -0.431 37.519 38.000 -0.083 0.000 1.046 436 I HN 0.162 nan 8.210 nan 0.000 0.405 437 A N 0.467 123.272 122.820 -0.024 0.000 1.892 437 A HA -0.326 3.995 4.320 0.001 0.000 0.218 437 A C 2.320 179.929 177.584 0.041 0.000 1.188 437 A CA 2.308 54.347 52.037 0.003 0.000 0.631 437 A CB -0.884 18.064 19.000 -0.088 0.000 0.822 437 A HN 0.558 nan 8.150 nan 0.000 0.447 438 E N -0.397 119.813 120.200 0.017 0.000 2.049 438 E HA -0.276 4.074 4.350 0.001 0.000 0.198 438 E C 1.845 178.450 176.600 0.008 0.000 1.007 438 E CA 1.605 58.015 56.400 0.017 0.000 0.809 438 E CB -0.155 29.542 29.700 -0.006 0.000 0.749 438 E HN 0.386 nan 8.360 nan 0.000 0.450 439 K N -0.024 120.379 120.400 0.004 0.000 2.103 439 K HA -0.180 4.141 4.320 0.001 0.000 0.207 439 K C 2.077 178.731 176.600 0.090 0.000 1.048 439 K CA 1.022 57.314 56.287 0.008 0.000 0.930 439 K CB -0.684 31.826 32.500 0.016 0.000 0.716 439 K HN 0.323 nan 8.250 nan 0.000 0.444 440 Y N 2.415 122.687 120.300 -0.046 0.000 2.070 440 Y HA -0.170 4.381 4.550 0.002 0.000 0.279 440 Y C 2.139 178.015 175.900 -0.041 0.000 1.134 440 Y CA 1.464 59.538 58.100 -0.044 0.000 1.113 440 Y CB -0.473 37.951 38.460 -0.060 0.000 0.981 440 Y HN 0.140 nan 8.280 nan 0.000 0.487 441 E N -0.286 119.855 120.200 -0.098 0.000 2.147 441 E HA -0.316 4.034 4.350 0.001 0.000 0.199 441 E C 2.387 178.904 176.600 -0.138 0.000 1.005 441 E CA 1.606 57.898 56.400 -0.181 0.000 0.810 441 E CB -0.226 29.432 29.700 -0.070 0.000 0.736 441 E HN 0.356 nan 8.360 nan 0.000 0.460 442 R N -0.852 119.604 120.500 -0.074 0.000 2.153 442 R HA -0.073 4.268 4.340 0.001 0.000 0.218 442 R C 1.206 177.468 176.300 -0.064 0.000 1.072 442 R CA 1.166 57.230 56.100 -0.059 0.000 0.990 442 R CB 0.250 30.523 30.300 -0.044 0.000 0.889 442 R HN 0.277 nan 8.270 nan 0.000 0.452 443 G N 0.098 108.860 108.800 -0.064 0.000 2.163 443 G HA2 -0.291 3.670 3.960 0.001 0.000 0.213 443 G HA3 -0.291 3.670 3.960 0.001 0.000 0.213 443 G C -0.278 174.632 174.900 0.016 0.000 0.991 443 G CA 0.130 45.205 45.100 -0.042 0.000 0.653 443 G HN 0.473 nan 8.290 nan 0.000 0.518 444 Q N 1.571 121.389 119.800 0.029 0.000 2.279 444 Q HA 0.515 4.856 4.340 0.001 0.000 0.256 444 Q C -1.904 174.154 176.000 0.097 0.000 0.937 444 Q CA -1.983 53.851 55.803 0.052 0.000 0.933 444 Q CB 1.592 30.343 28.738 0.022 0.000 1.189 444 Q HN 0.282 nan 8.270 nan 0.000 0.417 445 P HA -0.011 nan 4.420 nan 0.000 0.271 445 P C -0.979 176.404 177.300 0.138 0.000 1.233 445 P CA -0.137 63.030 63.100 0.112 0.000 0.789 445 P CB 0.846 32.601 31.700 0.092 0.000 0.951 446 V N 1.671 121.651 119.914 0.111 0.000 2.932 446 V HA 0.391 4.512 4.120 0.001 0.000 0.307 446 V C -0.315 175.815 176.094 0.061 0.000 1.147 446 V CA -0.620 61.755 62.300 0.125 0.000 0.951 446 V CB 2.152 34.042 31.823 0.112 0.000 1.031 446 V HN 0.439 nan 8.190 nan 0.000 0.426 447 L N 4.937 126.187 121.223 0.046 0.000 2.415 447 L HA 0.707 5.048 4.340 0.001 0.000 0.268 447 L C -0.923 175.931 176.870 -0.026 0.000 0.984 447 L CA -0.241 54.602 54.840 0.006 0.000 0.853 447 L CB 1.538 43.600 42.059 0.005 0.000 1.215 447 L HN 0.499 nan 8.230 nan 0.000 0.419 448 V N 3.303 123.198 119.914 -0.031 0.000 2.567 448 V HA 0.729 4.850 4.120 0.001 0.000 0.289 448 V C 0.777 176.849 176.094 -0.037 0.000 1.049 448 V CA -0.230 62.036 62.300 -0.055 0.000 0.969 448 V CB 1.346 33.136 31.823 -0.054 0.000 0.995 448 V HN 0.821 nan 8.190 nan 0.000 0.471 449 G N 1.984 110.750 108.800 -0.057 0.000 2.470 449 G HA2 0.668 4.629 3.960 0.001 0.000 0.320 449 G HA3 0.668 4.629 3.960 0.001 0.000 0.320 449 G C -0.264 174.644 174.900 0.014 0.000 1.245 449 G CA -0.083 45.018 45.100 0.002 0.000 0.935 449 G HN 0.875 nan 8.290 nan 0.000 0.476 450 T N -0.794 113.792 114.554 0.053 0.000 2.841 450 T HA 0.625 4.976 4.350 0.001 0.000 0.276 450 T C 0.647 175.380 174.700 0.054 0.000 1.003 450 T CA -0.779 61.356 62.100 0.059 0.000 0.995 450 T CB 1.746 70.665 68.868 0.084 0.000 1.260 450 T HN 0.213 nan 8.240 nan 0.000 0.581 451 I N 0.411 121.008 120.570 0.045 0.000 4.338 451 I HA 0.240 4.411 4.170 0.001 0.000 0.329 451 I C 0.605 176.757 176.117 0.059 0.000 1.378 451 I CA -0.150 61.175 61.300 0.041 0.000 1.170 451 I CB 0.736 38.727 38.000 -0.015 0.000 1.206 451 I HN 0.868 nan 8.210 nan 0.000 0.432 452 S N -0.632 115.101 115.700 0.056 0.000 2.705 452 S HA 0.528 4.999 4.470 0.001 0.000 0.280 452 S C 0.408 175.027 174.600 0.031 0.000 1.174 452 S CA -0.701 57.525 58.200 0.044 0.000 0.823 452 S CB 1.281 64.505 63.200 0.040 0.000 1.162 452 S HN 0.077 nan 8.310 nan 0.000 0.487 453 I N 0.609 121.189 120.570 0.016 0.000 2.731 453 I HA 0.143 4.314 4.170 0.001 0.000 0.260 453 I C 2.618 178.726 176.117 -0.015 0.000 1.138 453 I CA 0.711 62.012 61.300 0.002 0.000 1.461 453 I CB -0.374 37.624 38.000 -0.002 0.000 1.128 453 I HN 0.922 nan 8.210 nan 0.000 0.438 454 E N 2.647 122.836 120.200 -0.019 0.000 2.085 454 E HA -0.258 4.092 4.350 0.001 0.000 0.194 454 E C 2.009 178.564 176.600 -0.074 0.000 0.994 454 E CA 1.521 57.895 56.400 -0.043 0.000 0.801 454 E CB 0.082 29.760 29.700 -0.036 0.000 0.743 454 E HN 0.445 nan 8.360 nan 0.000 0.453 455 K N 0.148 120.520 120.400 -0.047 0.000 2.097 455 K HA -0.040 4.281 4.320 0.001 0.000 0.205 455 K C 2.468 179.021 176.600 -0.078 0.000 1.050 455 K CA 1.187 57.431 56.287 -0.072 0.000 0.938 455 K CB -0.078 32.471 32.500 0.081 0.000 0.718 455 K HN -0.019 nan 8.250 nan 0.000 0.442 456 S N 1.098 116.788 115.700 -0.017 0.000 2.356 456 S HA -0.156 4.315 4.470 0.001 0.000 0.223 456 S C 1.840 176.418 174.600 -0.037 0.000 1.032 456 S CA 1.411 59.608 58.200 -0.006 0.000 1.005 456 S CB -0.116 63.090 63.200 0.011 0.000 0.867 456 S HN 0.238 nan 8.310 nan 0.000 0.449 457 E N 0.971 121.139 120.200 -0.052 0.000 2.051 457 E HA -0.070 4.280 4.350 0.001 0.000 0.192 457 E C 2.105 178.645 176.600 -0.101 0.000 0.991 457 E CA 0.899 57.263 56.400 -0.060 0.000 0.799 457 E CB -0.172 29.492 29.700 -0.061 0.000 0.748 457 E HN 0.324 nan 8.360 nan 0.000 0.449 458 R N 0.101 120.499 120.500 -0.170 0.000 2.103 458 R HA -0.144 4.196 4.340 0.001 0.000 0.242 458 R C 2.335 178.454 176.300 -0.301 0.000 1.142 458 R CA 1.424 57.365 56.100 -0.265 0.000 0.960 458 R CB -0.459 29.602 30.300 -0.398 0.000 0.858 458 R HN 0.267 nan 8.270 nan 0.000 0.439 459 L N -0.161 120.882 121.223 -0.300 0.000 2.093 459 L HA -0.148 4.193 4.340 0.001 0.000 0.208 459 L C 2.362 179.188 176.870 -0.073 0.000 1.085 459 L CA 1.534 56.251 54.840 -0.204 0.000 0.755 459 L CB -0.327 41.692 42.059 -0.065 0.000 0.904 459 L HN 0.333 nan 8.230 nan 0.000 0.435 460 S N -0.784 114.919 115.700 0.004 0.000 2.343 460 S HA -0.233 4.238 4.470 0.001 0.000 0.219 460 S C 1.915 176.622 174.600 0.179 0.000 1.033 460 S CA 1.349 59.669 58.200 0.200 0.000 1.014 460 S CB -0.122 63.139 63.200 0.102 0.000 0.915 460 S HN 0.469 nan 8.310 nan 0.000 0.435 461 Q N 0.582 120.388 119.800 0.009 0.000 2.062 461 Q HA -0.176 4.165 4.340 0.001 0.000 0.209 461 Q C 2.336 178.333 176.000 -0.005 0.000 0.996 461 Q CA 1.731 57.523 55.803 -0.020 0.000 0.859 461 Q CB -0.680 28.017 28.738 -0.068 0.000 0.920 461 Q HN 0.623 nan 8.270 nan 0.000 0.415 462 M N 0.046 119.618 119.600 -0.046 0.000 2.144 462 M HA -0.179 4.302 4.480 0.001 0.000 0.260 462 M C 2.124 178.416 176.300 -0.012 0.000 1.067 462 M CA 1.255 56.530 55.300 -0.042 0.000 1.095 462 M CB -0.321 32.223 32.600 -0.093 0.000 1.365 462 M HN 0.142 nan 8.290 nan 0.000 0.406 463 L N 0.085 121.307 121.223 -0.002 0.000 2.478 463 L HA -0.115 4.225 4.340 0.001 0.000 0.223 463 L C 1.929 178.849 176.870 0.082 0.000 1.140 463 L CA 0.790 55.603 54.840 -0.044 0.000 0.842 463 L CB -0.240 41.610 42.059 -0.350 0.000 0.953 463 L HN 0.364 nan 8.230 nan 0.000 0.452 464 K N -0.749 119.718 120.400 0.112 0.000 2.447 464 K HA 0.174 4.495 4.320 0.001 0.000 0.205 464 K C 0.367 176.975 176.600 0.013 0.000 1.059 464 K CA -0.094 56.230 56.287 0.061 0.000 1.065 464 K CB 0.590 33.095 32.500 0.009 0.000 0.885 464 K HN 0.002 nan 8.250 nan 0.000 0.545 465 E N 1.569 121.776 120.200 0.013 0.000 3.909 465 E HA 0.205 4.555 4.350 0.001 0.000 0.236 465 E C -2.237 174.378 176.600 0.025 0.000 1.222 465 E CA -1.958 54.447 56.400 0.007 0.000 1.205 465 E CB 0.998 30.695 29.700 -0.005 0.000 1.249 465 E HN -0.051 nan 8.360 nan 0.000 0.411 466 P HA -0.205 nan 4.420 nan 0.000 0.224 466 P C 1.024 178.373 177.300 0.083 0.000 1.138 466 P CA 0.732 63.865 63.100 0.055 0.000 0.780 466 P CB 0.135 31.850 31.700 0.024 0.000 0.755 467 R N -0.400 120.133 120.500 0.055 0.000 2.148 467 R HA -0.010 4.331 4.340 0.001 0.000 0.227 467 R C 1.820 178.166 176.300 0.076 0.000 1.103 467 R CA 1.077 57.208 56.100 0.052 0.000 0.983 467 R CB -1.238 29.078 30.300 0.028 0.000 0.874 467 R HN 0.216 nan 8.270 nan 0.000 0.451 468 L N -1.208 120.070 121.223 0.092 0.000 2.478 468 L HA -0.028 4.313 4.340 0.001 0.000 0.223 468 L C 1.307 178.334 176.870 0.261 0.000 1.140 468 L CA 0.571 55.480 54.840 0.116 0.000 0.842 468 L CB -0.183 41.902 42.059 0.044 0.000 0.953 468 L HN 0.182 nan 8.230 nan 0.000 0.452 469 Y N -0.448 119.942 120.300 0.149 0.000 2.462 469 Y HA 0.122 4.673 4.550 0.002 0.000 0.261 469 Y C 1.984 177.913 175.900 0.048 0.000 1.146 469 Y CA 0.138 58.364 58.100 0.210 0.000 1.283 469 Y CB 0.275 38.809 38.460 0.122 0.000 1.090 469 Y HN 0.013 nan 8.280 nan 0.000 0.526 470 L N 0.671 121.928 121.223 0.057 0.000 2.042 470 L HA -0.177 4.164 4.340 0.001 0.000 0.210 470 L C -0.462 176.313 176.870 -0.158 0.000 1.076 470 L CA 1.373 56.194 54.840 -0.032 0.000 0.749 470 L CB -1.875 40.190 42.059 0.010 0.000 0.893 470 L HN 0.202 nan 8.230 nan 0.000 0.432 471 P HA -0.200 nan 4.420 nan 0.000 0.216 471 P C 1.635 178.687 177.300 -0.414 0.000 1.157 471 P CA 1.286 64.270 63.100 -0.194 0.000 0.880 471 P CB -0.115 31.550 31.700 -0.058 0.000 0.791 472 R N -0.323 119.676 120.500 -0.835 0.000 2.103 472 R HA -0.141 4.200 4.340 0.001 0.000 0.234 472 R C 2.182 178.126 176.300 -0.593 0.000 1.132 472 R CA 1.354 56.826 56.100 -1.047 0.000 0.925 472 R CB -1.712 27.478 30.300 -1.850 0.000 0.842 472 R HN 0.178 nan 8.270 nan 0.000 0.430 473 L N 1.605 122.519 121.223 -0.515 0.000 1.978 473 L HA -0.258 4.083 4.340 0.001 0.000 0.218 473 L C 2.156 178.928 176.870 -0.164 0.000 1.075 473 L CA 2.354 57.065 54.840 -0.216 0.000 0.767 473 L CB -1.048 40.963 42.059 -0.080 0.000 0.890 473 L HN 0.366 nan 8.230 nan 0.000 0.434 474 E N -0.474 119.634 120.200 -0.153 0.000 2.058 474 E HA -0.287 4.064 4.350 0.001 0.000 0.194 474 E C 2.260 178.807 176.600 -0.088 0.000 0.997 474 E CA 1.803 58.145 56.400 -0.096 0.000 0.801 474 E CB -0.166 29.486 29.700 -0.080 0.000 0.746 474 E HN 0.582 nan 8.360 nan 0.000 0.450 475 M N -0.077 119.441 119.600 -0.137 0.000 2.159 475 M HA -0.107 4.374 4.480 0.001 0.000 0.263 475 M C 2.247 178.505 176.300 -0.070 0.000 1.063 475 M CA 1.156 56.393 55.300 -0.105 0.000 1.110 475 M CB 0.055 32.563 32.600 -0.153 0.000 1.374 475 M HN -0.046 nan 8.290 nan 0.000 0.411 476 R N 0.064 120.503 120.500 -0.102 0.000 2.235 476 R HA 0.070 4.411 4.340 0.001 0.000 0.213 476 R C 1.958 178.261 176.300 0.005 0.000 1.059 476 R CA 0.853 56.922 56.100 -0.053 0.000 0.997 476 R CB -0.495 29.745 30.300 -0.099 0.000 0.884 476 R HN 0.447 nan 8.270 nan 0.000 0.462 477 L N 0.259 121.477 121.223 -0.009 0.000 2.068 477 L HA -0.049 4.292 4.340 0.001 0.000 0.204 477 L C 2.405 179.351 176.870 0.127 0.000 1.076 477 L CA 0.965 55.832 54.840 0.046 0.000 0.753 477 L CB -0.239 41.821 42.059 0.001 0.000 0.910 477 L HN 0.087 nan 8.230 nan 0.000 0.439 478 E N 0.315 120.557 120.200 0.070 0.000 2.427 478 E HA -0.121 4.230 4.350 0.001 0.000 0.196 478 E C 2.141 178.791 176.600 0.083 0.000 1.028 478 E CA 0.551 56.995 56.400 0.073 0.000 0.864 478 E CB 0.253 29.973 29.700 0.034 0.000 0.813 478 E HN 0.487 nan 8.360 nan 0.000 0.514 479 L N -0.432 120.850 121.223 0.098 0.000 2.095 479 L HA -0.077 4.264 4.340 0.001 0.000 0.204 479 L C 2.399 179.358 176.870 0.148 0.000 1.080 479 L CA 0.646 55.545 54.840 0.097 0.000 0.759 479 L CB -0.518 41.592 42.059 0.085 0.000 0.914 479 L HN 0.117 nan 8.230 nan 0.000 0.439 480 F N 1.290 121.272 119.950 0.055 0.000 2.134 480 F HA -0.236 4.292 4.527 0.001 0.000 0.299 480 F C 2.544 178.418 175.800 0.123 0.000 1.097 480 F CA 1.662 59.724 58.000 0.104 0.000 1.264 480 F CB -0.160 38.903 39.000 0.106 0.000 1.001 480 F HN -0.127 nan 8.300 nan 0.000 0.479 481 K N 1.087 121.568 120.400 0.135 0.000 1.978 481 K HA -0.280 4.040 4.320 0.001 0.000 0.214 481 K C 2.314 178.889 176.600 -0.043 0.000 1.049 481 K CA 2.370 58.680 56.287 0.038 0.000 0.939 481 K CB -0.359 32.202 32.500 0.102 0.000 0.721 481 K HN 0.432 nan 8.250 nan 0.000 0.441 482 K N -0.149 120.244 120.400 -0.012 0.000 2.089 482 K HA -0.179 4.142 4.320 0.001 0.000 0.210 482 K C 1.921 178.485 176.600 -0.059 0.000 1.048 482 K CA 1.826 58.098 56.287 -0.026 0.000 0.926 482 K CB -0.390 32.108 32.500 -0.004 0.000 0.714 482 K HN 0.163 nan 8.250 nan 0.000 0.448 483 A N 0.796 123.571 122.820 -0.074 0.000 2.067 483 A HA 0.040 4.361 4.320 0.001 0.000 0.217 483 A C 2.126 179.617 177.584 -0.155 0.000 1.156 483 A CA 1.180 53.164 52.037 -0.089 0.000 0.683 483 A CB -0.252 18.717 19.000 -0.052 0.000 0.808 483 A HN 0.374 nan 8.150 nan 0.000 0.455 484 S N -0.292 115.274 115.700 -0.223 0.000 2.357 484 S HA -0.091 4.380 4.470 0.001 0.000 0.221 484 S C 1.762 176.186 174.600 -0.293 0.000 1.031 484 S CA 0.752 58.802 58.200 -0.250 0.000 0.982 484 S CB -0.208 62.794 63.200 -0.330 0.000 0.853 484 S HN 0.526 nan 8.310 nan 0.000 0.458 485 Q N 1.076 120.772 119.800 -0.173 0.000 2.594 485 Q HA 0.047 4.387 4.340 0.001 0.000 0.219 485 Q C 1.418 177.271 176.000 -0.244 0.000 0.980 485 Q CA 0.470 56.169 55.803 -0.174 0.000 0.962 485 Q CB -0.255 28.441 28.738 -0.071 0.000 0.987 485 Q HN 0.443 nan 8.270 nan 0.000 0.553 486 K N 0.174 120.397 120.400 -0.295 0.000 2.432 486 K HA -0.064 4.257 4.320 0.001 0.000 0.196 486 K C -0.229 176.149 176.600 -0.370 0.000 1.038 486 K CA 0.335 56.466 56.287 -0.259 0.000 0.986 486 K CB 0.446 32.821 32.500 -0.208 0.000 0.782 486 K HN 0.048 nan 8.250 nan 0.000 0.485 487 Q N 0.276 119.695 119.800 -0.634 0.000 2.372 487 Q HA 0.130 4.471 4.340 0.001 0.000 0.259 487 Q C -0.269 175.275 176.000 -0.760 0.000 0.993 487 Q CA -0.126 55.117 55.803 -0.934 0.000 0.854 487 Q CB 1.898 29.485 28.738 -1.918 0.000 1.231 487 Q HN 0.076 nan 8.270 nan 0.000 0.462 488 Q N 1.101 120.655 119.800 -0.409 0.000 2.297 488 Q HA 0.185 4.525 4.340 0.001 0.000 0.203 488 Q C 0.999 176.981 176.000 -0.030 0.000 0.931 488 Q CA 0.496 56.193 55.803 -0.176 0.000 0.885 488 Q CB 0.072 28.741 28.738 -0.114 0.000 0.991 488 Q HN 0.770 nan 8.270 nan 0.000 0.498 489 G N 2.005 110.806 108.800 0.002 0.000 3.047 489 G HA2 -0.148 3.812 3.960 0.001 0.000 0.374 489 G HA3 -0.148 3.812 3.960 0.001 0.000 0.374 489 G C -1.698 173.313 174.900 0.186 0.000 1.277 489 G CA -0.448 44.724 45.100 0.121 0.000 1.153 489 G HN 0.104 nan 8.290 nan 0.000 0.711 490 P HA 0.004 nan 4.420 nan 0.000 0.215 490 P C 1.610 179.029 177.300 0.198 0.000 1.157 490 P CA 1.369 64.558 63.100 0.148 0.000 0.859 490 P CB 0.124 31.887 31.700 0.104 0.000 0.786 491 E N -1.026 119.307 120.200 0.221 0.000 2.085 491 E HA -0.202 4.149 4.350 0.001 0.000 0.194 491 E C 1.695 178.454 176.600 0.266 0.000 0.994 491 E CA 1.385 57.933 56.400 0.246 0.000 0.801 491 E CB -0.853 28.942 29.700 0.158 0.000 0.743 491 E HN 0.159 nan 8.360 nan 0.000 0.453 492 W N 1.276 122.651 121.300 0.127 0.000 2.355 492 W HA -0.083 4.578 4.660 0.001 0.000 0.309 492 W C 2.262 178.791 176.519 0.015 0.000 1.206 492 W CA 1.458 58.837 57.345 0.056 0.000 1.284 492 W CB -0.338 29.136 29.460 0.024 0.000 1.145 492 W HN 0.173 nan 8.180 nan 0.000 0.502 493 E N -0.143 120.210 120.200 0.255 0.000 2.204 493 E HA -0.194 4.156 4.350 0.001 0.000 0.195 493 E C 2.053 178.709 176.600 0.093 0.000 0.990 493 E CA 0.973 57.462 56.400 0.148 0.000 0.821 493 E CB -0.213 29.562 29.700 0.126 0.000 0.750 493 E HN 0.399 nan 8.360 nan 0.000 0.477 494 R N 0.571 121.145 120.500 0.123 0.000 2.066 494 R HA -0.094 4.247 4.340 0.001 0.000 0.232 494 R C 2.545 178.788 176.300 -0.096 0.000 1.131 494 R CA 1.203 57.392 56.100 0.148 0.000 0.955 494 R CB -0.413 30.152 30.300 0.442 0.000 0.851 494 R HN 0.222 nan 8.270 nan 0.000 0.432 495 L N -1.490 119.401 121.223 -0.554 0.000 2.591 495 L HA 0.301 4.642 4.340 0.001 0.000 0.228 495 L C 1.846 178.553 176.870 -0.272 0.000 1.133 495 L CA 0.392 54.747 54.840 -0.808 0.000 0.880 495 L CB 0.081 41.211 42.059 -1.550 0.000 1.033 495 L HN -0.159 nan 8.230 nan 0.000 0.450 496 R N 1.034 121.475 120.500 -0.098 0.000 2.161 496 R HA 0.008 4.349 4.340 0.001 0.000 0.213 496 R C 2.178 178.483 176.300 0.010 0.000 1.055 496 R CA 1.162 57.272 56.100 0.017 0.000 0.996 496 R CB -0.068 30.275 30.300 0.073 0.000 0.901 496 R HN 0.446 nan 8.270 nan 0.000 0.456 497 K N -0.333 120.063 120.400 -0.006 0.000 2.308 497 K HA 0.108 4.429 4.320 0.001 0.000 0.197 497 K C 1.476 178.075 176.600 -0.002 0.000 1.049 497 K CA 0.282 56.574 56.287 0.009 0.000 0.991 497 K CB 0.259 32.773 32.500 0.024 0.000 0.836 497 K HN 0.120 nan 8.250 nan 0.000 0.500 498 L N 1.067 122.273 121.223 -0.028 0.000 2.201 498 L HA -0.099 4.242 4.340 0.001 0.000 0.212 498 L C 1.670 178.523 176.870 -0.027 0.000 1.105 498 L CA 0.876 55.705 54.840 -0.020 0.000 0.775 498 L CB -0.191 41.844 42.059 -0.039 0.000 0.913 498 L HN 0.186 nan 8.230 nan 0.000 0.440 499 L N -0.724 120.478 121.223 -0.036 0.000 2.628 499 L HA 0.052 4.393 4.340 0.001 0.000 0.229 499 L C 1.581 178.456 176.870 0.007 0.000 1.137 499 L CA 0.085 54.915 54.840 -0.016 0.000 0.909 499 L CB 0.029 42.091 42.059 0.005 0.000 1.137 499 L HN 0.172 nan 8.230 nan 0.000 0.470 500 E N 0.675 120.879 120.200 0.007 0.000 2.463 500 E HA 0.142 4.493 4.350 0.001 0.000 0.193 500 E C 0.031 176.636 176.600 0.009 0.000 1.041 500 E CA -0.044 56.364 56.400 0.013 0.000 0.879 500 E CB 0.506 30.216 29.700 0.017 0.000 0.997 500 E HN 0.281 nan 8.360 nan 0.000 0.478 501 R N -0.632 119.871 120.500 0.004 0.000 2.574 501 R HA 0.239 4.580 4.340 0.001 0.000 0.288 501 R C -2.298 174.001 176.300 -0.002 0.000 1.004 501 R CA -1.778 54.325 56.100 0.004 0.000 0.895 501 R CB 1.576 31.881 30.300 0.007 0.000 1.191 501 R HN -0.079 nan 8.270 nan 0.000 0.444 502 P HA -0.086 nan 4.420 nan 0.000 0.213 502 P C 0.988 178.286 177.300 -0.003 0.000 1.170 502 P CA 1.111 64.208 63.100 -0.006 0.000 0.889 502 P CB 0.262 31.960 31.700 -0.003 0.000 0.782 503 A N -0.105 122.716 122.820 0.002 0.000 1.933 503 A HA -0.265 4.056 4.320 0.001 0.000 0.218 503 A C 2.217 179.804 177.584 0.004 0.000 1.175 503 A CA 1.617 53.657 52.037 0.004 0.000 0.628 503 A CB -1.478 17.526 19.000 0.006 0.000 0.814 503 A HN 0.203 nan 8.150 nan 0.000 0.444 504 Q N -0.226 119.579 119.800 0.007 0.000 2.197 504 Q HA -0.163 4.178 4.340 0.001 0.000 0.211 504 Q C 0.157 176.164 176.000 0.012 0.000 0.993 504 Q CA 0.781 56.592 55.803 0.013 0.000 0.883 504 Q CB -0.676 28.073 28.738 0.018 0.000 0.916 504 Q HN 0.620 nan 8.270 nan 0.000 0.418 505 L N 2.214 123.438 121.223 0.001 0.000 2.652 505 L HA -0.020 4.321 4.340 0.001 0.000 0.284 505 L C 0.509 177.375 176.870 -0.007 0.000 1.204 505 L CA 0.376 55.209 54.840 -0.010 0.000 1.105 505 L CB -0.314 41.724 42.059 -0.036 0.000 1.393 505 L HN 0.111 nan 8.230 nan 0.000 0.452 506 K N 0.800 121.203 120.400 0.005 0.000 2.400 506 K HA 0.243 4.564 4.320 0.001 0.000 0.249 506 K C 0.442 177.049 176.600 0.013 0.000 1.069 506 K CA -0.714 55.578 56.287 0.008 0.000 0.965 506 K CB 1.147 33.653 32.500 0.012 0.000 1.365 506 K HN 0.285 nan 8.250 nan 0.000 0.539 507 D N 0.420 120.837 120.400 0.028 0.000 2.224 507 D HA -0.119 4.522 4.640 0.001 0.000 0.205 507 D C 1.039 177.360 176.300 0.035 0.000 0.965 507 D CA 0.809 54.825 54.000 0.027 0.000 0.852 507 D CB 0.226 41.055 40.800 0.050 0.000 0.947 507 D HN 0.338 nan 8.370 nan 0.000 0.494 508 E N 0.892 121.114 120.200 0.037 0.000 2.150 508 E HA -0.171 4.180 4.350 0.001 0.000 0.193 508 E C 1.539 178.181 176.600 0.070 0.000 0.985 508 E CA 0.758 57.184 56.400 0.043 0.000 0.814 508 E CB -0.295 29.423 29.700 0.030 0.000 0.752 508 E HN 0.362 nan 8.360 nan 0.000 0.466 509 D N 0.373 120.820 120.400 0.078 0.000 2.178 509 D HA -0.102 4.539 4.640 0.001 0.000 0.202 509 D C 1.722 178.152 176.300 0.217 0.000 0.974 509 D CA 0.542 54.619 54.000 0.128 0.000 0.841 509 D CB 0.213 41.065 40.800 0.086 0.000 0.953 509 D HN 0.109 nan 8.370 nan 0.000 0.478 510 L N 0.399 121.726 121.223 0.173 0.000 2.341 510 L HA 0.163 4.503 4.340 0.001 0.000 0.214 510 L C 2.518 179.609 176.870 0.368 0.000 1.115 510 L CA 0.740 55.764 54.840 0.305 0.000 0.820 510 L CB -0.459 41.650 42.059 0.084 0.000 0.944 510 L HN -0.067 nan 8.230 nan 0.000 0.452 511 A N 0.630 123.571 122.820 0.200 0.000 1.940 511 A HA -0.114 4.207 4.320 0.001 0.000 0.219 511 A C 0.002 177.628 177.584 0.070 0.000 1.176 511 A CA 1.743 53.861 52.037 0.135 0.000 0.631 511 A CB -1.734 17.304 19.000 0.064 0.000 0.814 511 A HN 0.317 nan 8.150 nan 0.000 0.446 512 P HA -0.063 nan 4.420 nan 0.000 0.217 512 P C 0.688 177.808 177.300 -0.301 0.000 1.151 512 P CA 0.783 63.771 63.100 -0.186 0.000 0.828 512 P CB -0.165 31.340 31.700 -0.324 0.000 0.788 513 F N -0.149 119.745 119.950 -0.093 0.000 2.804 513 F HA 0.078 4.606 4.527 0.002 0.000 0.303 513 F C 1.820 177.374 175.800 -0.410 0.000 1.154 513 F CA 0.455 58.311 58.000 -0.239 0.000 1.401 513 F CB -0.875 37.971 39.000 -0.258 0.000 1.106 513 F HN -0.048 nan 8.300 nan 0.000 0.568 514 E N 0.270 120.368 120.200 -0.169 0.000 2.331 514 E HA -0.152 4.199 4.350 0.001 0.000 0.199 514 E C 2.493 178.934 176.600 -0.265 0.000 1.008 514 E CA 0.722 56.952 56.400 -0.285 0.000 0.843 514 E CB -0.283 29.390 29.700 -0.047 0.000 0.761 514 E HN 0.526 nan 8.360 nan 0.000 0.507 515 G N 0.587 109.267 108.800 -0.200 0.000 2.509 515 G HA2 -0.162 3.799 3.960 0.001 0.000 0.218 515 G HA3 -0.162 3.799 3.960 0.001 0.000 0.218 515 G C 1.312 176.124 174.900 -0.147 0.000 1.124 515 G CA 0.146 45.156 45.100 -0.149 0.000 0.776 515 G HN 0.149 nan 8.290 nan 0.000 0.547 516 L N 1.017 122.103 121.223 -0.228 0.000 2.592 516 L HA 0.283 4.624 4.340 0.001 0.000 0.227 516 L C -0.003 176.758 176.870 -0.183 0.000 1.127 516 L CA -0.389 54.339 54.840 -0.187 0.000 0.884 516 L CB 0.082 41.901 42.059 -0.401 0.000 1.065 516 L HN 0.043 nan 8.230 nan 0.000 0.457 517 I N 2.834 123.235 120.570 -0.282 0.000 2.352 517 I HA 0.218 4.389 4.170 0.001 0.000 0.290 517 I C -1.781 174.291 176.117 -0.076 0.000 1.036 517 I CA -2.341 58.810 61.300 -0.249 0.000 1.336 517 I CB 0.329 38.061 38.000 -0.447 0.000 1.407 517 I HN -0.075 nan 8.210 nan 0.000 0.497 518 P HA 0.278 nan 4.420 nan 0.000 0.279 518 P C -2.212 175.110 177.300 0.036 0.000 1.239 518 P CA -1.407 61.713 63.100 0.034 0.000 0.789 518 P CB 0.908 32.646 31.700 0.064 0.000 0.933 519 P HA -0.103 nan 4.420 nan 0.000 0.223 519 P C 0.358 177.688 177.300 0.049 0.000 1.151 519 P CA 1.001 64.123 63.100 0.037 0.000 0.787 519 P CB 0.257 31.973 31.700 0.026 0.000 0.788 520 K N 0.746 121.175 120.400 0.048 0.000 2.524 520 K HA 0.036 4.357 4.320 0.001 0.000 0.279 520 K C 1.878 178.518 176.600 0.066 0.000 0.993 520 K CA 0.730 57.047 56.287 0.050 0.000 1.030 520 K CB -0.227 32.299 32.500 0.044 0.000 0.891 520 K HN 0.038 nan 8.250 nan 0.000 0.488 521 G N 3.936 112.772 108.800 0.060 0.000 2.838 521 G HA2 -0.381 3.580 3.960 0.001 0.000 0.215 521 G HA3 -0.381 3.580 3.960 0.001 0.000 0.215 521 G C 1.286 176.238 174.900 0.087 0.000 1.327 521 G CA 0.859 46.001 45.100 0.069 0.000 0.802 521 G HN 0.693 nan 8.290 nan 0.000 0.658 522 N N 0.033 118.778 118.700 0.074 0.000 2.225 522 N HA -0.209 4.532 4.740 0.001 0.000 0.198 522 N C 2.126 177.703 175.510 0.111 0.000 0.959 522 N CA 1.920 55.018 53.050 0.079 0.000 0.915 522 N CB -0.459 38.062 38.487 0.057 0.000 1.072 522 N HN 0.392 nan 8.380 nan 0.000 0.620 523 L N 0.417 121.717 121.223 0.130 0.000 2.221 523 L HA 0.059 4.400 4.340 0.001 0.000 0.202 523 L C 2.508 179.552 176.870 0.290 0.000 1.074 523 L CA 0.532 55.488 54.840 0.193 0.000 0.795 523 L CB -0.122 42.044 42.059 0.178 0.000 0.960 523 L HN 0.004 nan 8.230 nan 0.000 0.458 524 R N -0.825 119.819 120.500 0.240 0.000 2.159 524 R HA -0.175 4.166 4.340 0.001 0.000 0.237 524 R C 1.890 178.361 176.300 0.284 0.000 1.131 524 R CA 2.030 58.306 56.100 0.294 0.000 0.982 524 R CB -0.297 30.120 30.300 0.194 0.000 0.868 524 R HN 0.304 nan 8.270 nan 0.000 0.453 525 T N -0.173 114.502 114.554 0.203 0.000 2.746 525 T HA -0.099 4.252 4.350 0.001 0.000 0.267 525 T C 1.672 176.476 174.700 0.173 0.000 1.039 525 T CA 1.389 63.581 62.100 0.153 0.000 1.142 525 T CB -0.195 68.743 68.868 0.116 0.000 0.866 525 T HN 0.464 nan 8.240 nan 0.000 0.444 526 A N 0.373 123.340 122.820 0.244 0.000 2.067 526 A HA 0.037 4.358 4.320 0.001 0.000 0.217 526 A C 2.043 179.839 177.584 0.353 0.000 1.156 526 A CA 0.478 52.688 52.037 0.289 0.000 0.683 526 A CB -0.704 18.500 19.000 0.339 0.000 0.808 526 A HN 0.768 nan 8.150 nan 0.000 0.455 527 W N 0.711 122.147 121.300 0.226 0.000 2.494 527 W HA -0.038 4.622 4.660 0.001 0.000 0.286 527 W C 1.414 177.912 176.519 -0.035 0.000 1.218 527 W CA 1.517 58.899 57.345 0.061 0.000 1.313 527 W CB 0.033 29.579 29.460 0.143 0.000 1.105 527 W HN 0.428 nan 8.180 nan 0.000 0.561 528 E N 0.313 120.483 120.200 -0.049 0.000 2.208 528 E HA -0.023 4.328 4.350 0.001 0.000 0.193 528 E C 2.424 178.915 176.600 -0.181 0.000 0.988 528 E CA 1.789 58.099 56.400 -0.150 0.000 0.828 528 E CB -0.675 29.036 29.700 0.018 0.000 0.763 528 E HN 0.249 nan 8.360 nan 0.000 0.478 529 G N 0.639 109.380 108.800 -0.099 0.000 2.414 529 G HA2 -0.232 3.729 3.960 0.001 0.000 0.215 529 G HA3 -0.232 3.729 3.960 0.001 0.000 0.215 529 G C 1.552 176.353 174.900 -0.164 0.000 1.188 529 G CA 0.575 45.631 45.100 -0.073 0.000 0.783 529 G HN 0.325 nan 8.290 nan 0.000 0.537 530 L N 0.139 121.201 121.223 -0.269 0.000 2.083 530 L HA -0.026 4.314 4.340 0.001 0.000 0.209 530 L C 2.867 179.460 176.870 -0.462 0.000 1.083 530 L CA 1.814 56.428 54.840 -0.376 0.000 0.752 530 L CB -0.231 41.472 42.059 -0.594 0.000 0.899 530 L HN 0.257 nan 8.230 nan 0.000 0.433 531 K N -0.177 119.826 120.400 -0.662 0.000 2.026 531 K HA -0.270 4.051 4.320 0.001 0.000 0.208 531 K C 2.307 178.742 176.600 -0.276 0.000 1.048 531 K CA 1.549 57.481 56.287 -0.592 0.000 0.929 531 K CB -0.111 31.946 32.500 -0.740 0.000 0.713 531 K HN 0.186 nan 8.250 nan 0.000 0.439 532 R N 0.079 120.460 120.500 -0.199 0.000 2.083 532 R HA -0.163 4.178 4.340 0.001 0.000 0.237 532 R C 2.183 178.499 176.300 0.026 0.000 1.137 532 R CA 1.627 57.691 56.100 -0.059 0.000 0.951 532 R CB -0.369 29.914 30.300 -0.028 0.000 0.851 532 R HN 0.300 nan 8.270 nan 0.000 0.434 533 A N 0.074 122.909 122.820 0.025 0.000 1.908 533 A HA -0.129 4.192 4.320 0.001 0.000 0.218 533 A C 2.277 179.941 177.584 0.133 0.000 1.181 533 A CA 1.732 53.872 52.037 0.172 0.000 0.627 533 A CB -0.617 18.425 19.000 0.070 0.000 0.818 533 A HN 0.242 nan 8.150 nan 0.000 0.445 534 V N -0.507 119.409 119.914 0.003 0.000 2.332 534 V HA -0.299 3.822 4.120 0.001 0.000 0.248 534 V C 2.474 178.581 176.094 0.022 0.000 1.055 534 V CA 2.585 64.878 62.300 -0.012 0.000 1.038 534 V CB -1.028 30.741 31.823 -0.091 0.000 0.651 534 V HN 0.821 nan 8.190 nan 0.000 0.450 535 H N 0.743 119.757 119.070 -0.093 0.000 2.293 535 H HA -0.144 4.412 4.556 0.001 0.000 0.300 535 H C 2.398 177.659 175.328 -0.113 0.000 1.082 535 H CA 2.351 58.344 56.048 -0.092 0.000 1.308 535 H CB -0.556 29.150 29.762 -0.094 0.000 1.375 535 H HN 0.381 nan 8.280 nan 0.000 0.495 536 T N 1.338 115.820 114.554 -0.120 0.000 2.624 536 T HA -0.241 4.109 4.350 0.001 0.000 0.268 536 T C 2.279 176.731 174.700 -0.413 0.000 1.041 536 T CA 1.618 63.509 62.100 -0.348 0.000 1.159 536 T CB -0.736 67.807 68.868 -0.542 0.000 0.863 536 T HN 0.267 nan 8.240 nan 0.000 0.434 537 L N 0.480 121.530 121.223 -0.288 0.000 1.990 537 L HA -0.224 4.117 4.340 0.001 0.000 0.213 537 L C 2.885 179.679 176.870 -0.127 0.000 1.072 537 L CA 1.779 56.534 54.840 -0.141 0.000 0.755 537 L CB -0.656 41.424 42.059 0.034 0.000 0.889 537 L HN 0.336 nan 8.230 nan 0.000 0.432 538 A N -0.850 121.896 122.820 -0.124 0.000 1.917 538 A HA -0.210 4.110 4.320 0.001 0.000 0.219 538 A C 2.142 179.637 177.584 -0.148 0.000 1.182 538 A CA 2.210 54.177 52.037 -0.116 0.000 0.633 538 A CB -1.002 17.932 19.000 -0.111 0.000 0.819 538 A HN 0.362 nan 8.150 nan 0.000 0.448 539 V N 0.004 119.779 119.914 -0.231 0.000 2.307 539 V HA -0.248 3.873 4.120 0.001 0.000 0.245 539 V C 2.527 178.551 176.094 -0.116 0.000 1.045 539 V CA 1.810 63.996 62.300 -0.190 0.000 1.024 539 V CB -0.967 30.709 31.823 -0.245 0.000 0.651 539 V HN 0.551 nan 8.190 nan 0.000 0.449 540 L N -0.495 120.637 121.223 -0.151 0.000 2.012 540 L HA -0.188 4.153 4.340 0.001 0.000 0.210 540 L C 2.953 179.789 176.870 -0.057 0.000 1.073 540 L CA 1.775 56.550 54.840 -0.109 0.000 0.748 540 L CB -0.601 41.379 42.059 -0.132 0.000 0.891 540 L HN 0.271 nan 8.230 nan 0.000 0.431 541 R N -0.398 120.068 120.500 -0.057 0.000 2.082 541 R HA -0.246 4.095 4.340 0.001 0.000 0.234 541 R C 2.247 178.533 176.300 -0.022 0.000 1.136 541 R CA 1.812 57.893 56.100 -0.030 0.000 0.935 541 R CB -0.629 29.654 30.300 -0.029 0.000 0.842 541 R HN 0.447 nan 8.270 nan 0.000 0.430 542 Q N 0.748 120.530 119.800 -0.031 0.000 2.047 542 Q HA -0.174 4.167 4.340 0.001 0.000 0.211 542 Q C -0.038 175.972 176.000 0.017 0.000 1.005 542 Q CA 1.817 57.612 55.803 -0.013 0.000 0.866 542 Q CB -0.049 28.674 28.738 -0.025 0.000 0.938 542 Q HN 0.492 nan 8.270 nan 0.000 0.414 543 G N -0.162 108.658 108.800 0.034 0.000 3.088 543 G HA2 0.212 4.173 3.960 0.001 0.000 0.620 543 G HA3 0.212 4.173 3.960 0.001 0.000 0.620 543 G C -1.376 173.587 174.900 0.105 0.000 1.375 543 G CA -0.319 44.814 45.100 0.055 0.000 1.016 543 G HN 0.226 nan 8.290 nan 0.000 0.590 544 I N 2.651 123.212 120.570 -0.014 0.000 2.447 544 I HA 0.483 4.654 4.170 0.001 0.000 0.287 544 I C -2.393 173.636 176.117 -0.146 0.000 1.023 544 I CA -2.417 58.719 61.300 -0.273 0.000 1.083 544 I CB 2.340 40.064 38.000 -0.460 0.000 1.245 544 I HN 0.168 nan 8.210 nan 0.000 0.434 545 P HA 0.287 nan 4.420 nan 0.000 0.280 545 P C -0.555 176.759 177.300 0.023 0.000 1.300 545 P CA -0.029 63.067 63.100 -0.008 0.000 0.785 545 P CB 0.337 32.030 31.700 -0.013 0.000 0.874 546 H N 1.683 120.670 119.070 -0.139 0.000 2.339 546 H HA 0.465 5.022 4.556 0.001 0.000 0.228 546 H C 0.125 175.406 175.328 -0.078 0.000 1.581 546 H CA -0.072 55.907 56.048 -0.116 0.000 1.507 546 H CB 0.050 29.757 29.762 -0.091 0.000 1.679 546 H HN 0.263 nan 8.280 nan 0.000 0.726 547 Q N -0.225 119.659 119.800 0.139 0.000 3.614 547 Q HA 0.147 4.488 4.340 0.001 0.000 0.143 547 Q C -2.050 173.978 176.000 0.046 0.000 0.911 547 Q CA -0.025 55.807 55.803 0.048 0.000 1.372 547 Q CB -0.618 28.137 28.738 0.029 0.000 1.192 547 Q HN 0.337 nan 8.270 nan 0.000 0.650 548 V N 3.638 123.577 119.914 0.042 0.000 2.775 548 V HA 0.367 4.488 4.120 0.001 0.000 0.299 548 V C 0.470 176.571 176.094 0.010 0.000 1.062 548 V CA 0.030 62.349 62.300 0.031 0.000 1.063 548 V CB 1.176 33.014 31.823 0.025 0.000 0.994 548 V HN 0.635 nan 8.190 nan 0.000 0.483 549 L N 4.574 125.803 121.223 0.010 0.000 2.678 549 L HA 0.378 4.719 4.340 0.001 0.000 0.250 549 L C -0.073 176.797 176.870 -0.000 0.000 1.455 549 L CA -0.397 54.444 54.840 0.002 0.000 0.823 549 L CB 0.207 42.270 42.059 0.006 0.000 1.107 549 L HN 0.604 nan 8.230 nan 0.000 0.514 550 N N 2.232 120.928 118.700 -0.006 0.000 2.416 550 N HA 0.104 4.845 4.740 0.001 0.000 0.271 550 N C 0.729 176.218 175.510 -0.035 0.000 1.245 550 N CA -0.068 52.977 53.050 -0.009 0.000 0.940 550 N CB 1.567 40.048 38.487 -0.010 0.000 1.175 550 N HN 0.411 nan 8.380 nan 0.000 0.483 551 A N 2.871 125.665 122.820 -0.044 0.000 3.157 551 A HA -0.137 4.184 4.320 0.001 0.000 0.290 551 A C 1.118 178.566 177.584 -0.227 0.000 1.945 551 A CA 0.585 52.539 52.037 -0.138 0.000 1.315 551 A CB -0.433 18.514 19.000 -0.090 0.000 0.895 551 A HN 0.667 nan 8.150 nan 0.000 0.588 552 K N 0.100 120.397 120.400 -0.172 0.000 2.267 552 K HA 0.076 4.397 4.320 0.001 0.000 0.213 552 K C 0.510 177.027 176.600 -0.138 0.000 1.060 552 K CA 0.071 56.277 56.287 -0.136 0.000 0.935 552 K CB 0.174 32.640 32.500 -0.057 0.000 1.096 552 K HN 0.631 nan 8.250 nan 0.000 0.468 553 H N 1.652 120.622 119.070 -0.167 0.000 2.818 553 H HA 0.119 4.676 4.556 0.001 0.000 0.269 553 H C 0.650 175.878 175.328 -0.165 0.000 1.277 553 H CA -0.129 55.841 56.048 -0.129 0.000 1.290 553 H CB -0.088 29.625 29.762 -0.082 0.000 1.479 553 H HN 0.260 nan 8.280 nan 0.000 0.507 554 H N 3.117 122.246 119.070 0.099 0.000 2.390 554 H HA -0.156 4.401 4.556 0.001 0.000 0.298 554 H C 1.723 176.758 175.328 -0.490 0.000 1.106 554 H CA 1.797 57.772 56.048 -0.121 0.000 1.297 554 H CB 0.053 29.785 29.762 -0.051 0.000 1.375 554 H HN 0.705 nan 8.280 nan 0.000 0.509 555 A N 0.590 123.251 122.820 -0.265 0.000 1.898 555 A HA -0.109 4.212 4.320 0.001 0.000 0.214 555 A C 2.538 179.843 177.584 -0.465 0.000 1.183 555 A CA 1.118 52.812 52.037 -0.573 0.000 0.622 555 A CB -0.143 18.773 19.000 -0.140 0.000 0.824 555 A HN 0.176 nan 8.150 nan 0.000 0.444 556 R N 0.421 120.539 120.500 -0.637 0.000 2.073 556 R HA -0.076 4.265 4.340 0.001 0.000 0.234 556 R C 2.053 178.192 176.300 -0.268 0.000 1.134 556 R CA 1.909 57.690 56.100 -0.533 0.000 0.952 556 R CB -0.553 29.305 30.300 -0.738 0.000 0.850 556 R HN 0.749 nan 8.270 nan 0.000 0.433 557 E N -0.318 119.758 120.200 -0.206 0.000 2.051 557 E HA -0.184 4.167 4.350 0.001 0.000 0.192 557 E C 1.987 178.528 176.600 -0.098 0.000 0.991 557 E CA 1.207 57.542 56.400 -0.107 0.000 0.799 557 E CB -0.275 29.387 29.700 -0.064 0.000 0.748 557 E HN 0.373 nan 8.360 nan 0.000 0.449 558 A N 2.062 124.789 122.820 -0.156 0.000 1.927 558 A HA -0.273 4.048 4.320 0.001 0.000 0.220 558 A C 2.027 179.559 177.584 -0.086 0.000 1.185 558 A CA 1.698 53.661 52.037 -0.122 0.000 0.639 558 A CB -0.430 18.434 19.000 -0.227 0.000 0.820 558 A HN 0.158 nan 8.150 nan 0.000 0.451 559 E N -0.132 119.997 120.200 -0.118 0.000 2.106 559 E HA -0.123 4.228 4.350 0.001 0.000 0.192 559 E C 1.997 178.587 176.600 -0.017 0.000 0.984 559 E CA 1.133 57.471 56.400 -0.103 0.000 0.806 559 E CB -0.454 29.152 29.700 -0.157 0.000 0.750 559 E HN 0.773 nan 8.360 nan 0.000 0.458 560 I N 1.035 121.604 120.570 -0.002 0.000 2.315 560 I HA -0.209 3.961 4.170 0.001 0.000 0.248 560 I C 2.413 178.562 176.117 0.054 0.000 1.117 560 I CA 0.655 61.987 61.300 0.055 0.000 1.404 560 I CB -0.267 37.745 38.000 0.019 0.000 1.071 560 I HN -0.085 nan 8.210 nan 0.000 0.419 561 V N 1.174 121.101 119.914 0.022 0.000 2.307 561 V HA -0.249 3.872 4.120 0.001 0.000 0.245 561 V C 2.794 178.909 176.094 0.036 0.000 1.045 561 V CA 1.809 64.124 62.300 0.025 0.000 1.024 561 V CB -1.115 30.715 31.823 0.012 0.000 0.651 561 V HN 0.487 nan 8.190 nan 0.000 0.449 562 A N -0.891 121.945 122.820 0.027 0.000 2.093 562 A HA -0.275 4.045 4.320 0.001 0.000 0.222 562 A C 2.070 179.697 177.584 0.073 0.000 1.162 562 A CA 1.798 53.855 52.037 0.032 0.000 0.655 562 A CB -0.365 18.638 19.000 0.005 0.000 0.805 562 A HN 0.614 nan 8.150 nan 0.000 0.461 563 Q N -1.608 118.257 119.800 0.108 0.000 2.282 563 Q HA 0.298 4.639 4.340 0.001 0.000 0.206 563 Q C 1.857 177.901 176.000 0.073 0.000 0.878 563 Q CA 0.576 56.451 55.803 0.120 0.000 0.944 563 Q CB 0.193 29.048 28.738 0.195 0.000 1.100 563 Q HN 0.665 nan 8.270 nan 0.000 0.509 564 A N 0.491 123.348 122.820 0.061 0.000 2.125 564 A HA -0.036 4.285 4.320 0.001 0.000 0.219 564 A C 1.898 179.513 177.584 0.052 0.000 1.156 564 A CA 1.375 53.441 52.037 0.049 0.000 0.671 564 A CB -0.438 18.587 19.000 0.041 0.000 0.794 564 A HN 0.364 nan 8.150 nan 0.000 0.459 565 G N -0.862 107.970 108.800 0.054 0.000 3.124 565 G HA2 0.163 4.123 3.960 0.001 0.000 0.212 565 G HA3 0.163 4.123 3.960 0.001 0.000 0.212 565 G C 0.677 175.608 174.900 0.051 0.000 1.181 565 G CA -0.457 44.676 45.100 0.054 0.000 0.803 565 G HN 0.429 nan 8.290 nan 0.000 0.529 566 R N 0.548 121.077 120.500 0.048 0.000 2.404 566 R HA 0.283 4.624 4.340 0.001 0.000 0.291 566 R C 1.857 178.185 176.300 0.047 0.000 1.025 566 R CA 0.387 56.511 56.100 0.039 0.000 0.991 566 R CB 1.287 31.602 30.300 0.024 0.000 1.053 566 R HN 0.306 nan 8.270 nan 0.000 0.479 567 S N 3.146 118.870 115.700 0.039 0.000 2.420 567 S HA -0.340 4.131 4.470 0.001 0.000 0.278 567 S C 1.096 175.739 174.600 0.071 0.000 1.111 567 S CA 1.648 59.873 58.200 0.041 0.000 1.315 567 S CB -0.281 62.930 63.200 0.017 0.000 1.226 567 S HN 0.661 nan 8.310 nan 0.000 0.444 568 K N 2.340 122.793 120.400 0.088 0.000 2.469 568 K HA 0.218 4.539 4.320 0.001 0.000 0.201 568 K C -0.119 176.635 176.600 0.256 0.000 1.028 568 K CA 0.073 56.484 56.287 0.206 0.000 1.170 568 K CB 0.015 32.634 32.500 0.199 0.000 0.874 568 K HN 0.505 nan 8.250 nan 0.000 0.507 569 T N 0.501 115.132 114.554 0.128 0.000 2.898 569 T HA 0.215 4.566 4.350 0.001 0.000 0.301 569 T C 0.037 174.757 174.700 0.034 0.000 1.049 569 T CA -0.342 61.799 62.100 0.067 0.000 1.095 569 T CB 1.791 70.688 68.868 0.048 0.000 0.976 569 T HN -0.201 nan 8.240 nan 0.000 0.539 570 V N 2.569 122.463 119.914 -0.034 0.000 2.637 570 V HA 0.270 4.391 4.120 0.001 0.000 0.274 570 V C -0.269 175.792 176.094 -0.056 0.000 1.004 570 V CA -0.896 61.357 62.300 -0.078 0.000 0.894 570 V CB 1.516 33.202 31.823 -0.229 0.000 1.046 570 V HN 1.052 nan 8.190 nan 0.000 0.467 571 T N 5.523 120.066 114.554 -0.019 0.000 2.767 571 T HA 0.600 4.950 4.350 0.001 0.000 0.284 571 T C 0.155 174.851 174.700 -0.007 0.000 0.973 571 T CA -0.159 61.940 62.100 -0.002 0.000 0.996 571 T CB 1.451 70.326 68.868 0.013 0.000 0.927 571 T HN 0.409 nan 8.240 nan 0.000 0.456 572 I N 3.126 123.697 120.570 0.003 0.000 2.257 572 I HA 0.318 4.489 4.170 0.001 0.000 0.290 572 I C 0.871 176.998 176.117 0.017 0.000 1.137 572 I CA -0.674 60.628 61.300 0.005 0.000 1.255 572 I CB 0.086 38.094 38.000 0.014 0.000 1.485 572 I HN 0.666 nan 8.210 nan 0.000 0.534 573 A N 4.515 127.346 122.820 0.018 0.000 2.491 573 A HA 0.272 4.593 4.320 0.001 0.000 0.261 573 A C 1.170 178.778 177.584 0.041 0.000 1.101 573 A CA 0.013 52.068 52.037 0.029 0.000 0.772 573 A CB 0.136 19.155 19.000 0.032 0.000 1.043 573 A HN 0.655 nan 8.150 nan 0.000 0.501 574 T N 1.803 116.382 114.554 0.041 0.000 2.536 574 T HA -0.086 4.265 4.350 0.001 0.000 0.236 574 T C 0.899 175.647 174.700 0.080 0.000 1.227 574 T CA 1.685 63.815 62.100 0.051 0.000 1.505 574 T CB -0.238 68.653 68.868 0.038 0.000 0.969 574 T HN 0.706 nan 8.240 nan 0.000 0.390 575 N N 0.545 119.297 118.700 0.086 0.000 2.898 575 N HA 0.363 5.104 4.740 0.001 0.000 0.245 575 N C -0.428 175.153 175.510 0.118 0.000 1.185 575 N CA -0.056 53.068 53.050 0.124 0.000 0.879 575 N CB -0.448 38.108 38.487 0.114 0.000 1.157 575 N HN 0.441 nan 8.380 nan 0.000 0.503 576 M N 0.460 120.127 119.600 0.112 0.000 2.818 576 M HA -0.305 4.176 4.480 0.001 0.000 0.204 576 M C 0.941 177.299 176.300 0.096 0.000 0.552 576 M CA 0.600 55.952 55.300 0.086 0.000 0.687 576 M CB -1.291 31.357 32.600 0.079 0.000 2.512 576 M HN 0.529 nan 8.290 nan 0.000 0.563 577 A N 0.177 123.049 122.820 0.088 0.000 1.848 577 A HA -0.066 4.254 4.320 0.001 0.000 0.217 577 A C 1.618 179.265 177.584 0.104 0.000 1.220 577 A CA 2.161 54.250 52.037 0.086 0.000 0.645 577 A CB -1.015 18.015 19.000 0.050 0.000 0.842 577 A HN 1.005 nan 8.150 nan 0.000 0.451 578 G N -0.542 108.299 108.800 0.069 0.000 3.392 578 G HA2 0.254 4.215 3.960 0.001 0.000 0.247 578 G HA3 0.254 4.215 3.960 0.001 0.000 0.247 578 G C 0.447 175.383 174.900 0.061 0.000 1.161 578 G CA -0.373 44.763 45.100 0.060 0.000 1.739 578 G HN 0.427 nan 8.290 nan 0.000 0.619 579 R N 0.776 121.323 120.500 0.079 0.000 2.488 579 R HA 0.286 4.627 4.340 0.001 0.000 0.306 579 R C 1.087 177.412 176.300 0.042 0.000 1.271 579 R CA 0.970 57.103 56.100 0.054 0.000 1.022 579 R CB -0.456 29.878 30.300 0.056 0.000 1.054 579 R HN 0.437 nan 8.270 nan 0.000 0.500 580 G N 2.274 111.092 108.800 0.030 0.000 2.485 580 G HA2 -0.184 3.777 3.960 0.001 0.000 0.181 580 G HA3 -0.184 3.777 3.960 0.001 0.000 0.181 580 G C -0.133 174.764 174.900 -0.005 0.000 0.999 580 G CA -0.422 44.689 45.100 0.017 0.000 0.721 580 G HN 0.494 nan 8.290 nan 0.000 0.486 581 T N 3.302 117.859 114.554 0.004 0.000 2.753 581 T HA 0.465 4.816 4.350 0.001 0.000 0.297 581 T C -0.650 174.041 174.700 -0.015 0.000 0.981 581 T CA -0.462 61.622 62.100 -0.027 0.000 0.956 581 T CB 1.219 70.081 68.868 -0.010 0.000 0.936 581 T HN 0.232 nan 8.240 nan 0.000 0.463 582 D N 3.445 123.831 120.400 -0.023 0.000 2.434 582 D HA 0.048 4.689 4.640 0.001 0.000 0.252 582 D C 0.282 176.591 176.300 0.015 0.000 1.185 582 D CA 0.224 54.229 54.000 0.008 0.000 0.886 582 D CB 1.050 41.867 40.800 0.028 0.000 1.148 582 D HN 0.483 nan 8.370 nan 0.000 0.483 583 I N 3.128 123.713 120.570 0.025 0.000 2.281 583 I HA 0.048 4.219 4.170 0.001 0.000 0.293 583 I C 0.941 177.082 176.117 0.039 0.000 1.085 583 I CA -0.230 61.089 61.300 0.032 0.000 1.257 583 I CB 0.310 38.330 38.000 0.033 0.000 1.430 583 I HN -0.030 nan 8.210 nan 0.000 0.489 584 K N 5.793 126.219 120.400 0.042 0.000 2.106 584 K HA 0.505 4.826 4.320 0.001 0.000 0.246 584 K C -0.297 176.331 176.600 0.047 0.000 0.987 584 K CA -0.854 55.460 56.287 0.045 0.000 0.904 584 K CB 1.443 33.971 32.500 0.047 0.000 1.071 584 K HN 0.451 nan 8.250 nan 0.000 0.453 585 L N 2.067 123.316 121.223 0.044 0.000 2.376 585 L HA 0.206 4.547 4.340 0.001 0.000 0.250 585 L C 0.287 177.181 176.870 0.040 0.000 1.335 585 L CA -0.023 54.843 54.840 0.043 0.000 1.214 585 L CB -0.524 41.559 42.059 0.040 0.000 1.395 585 L HN 0.866 nan 8.230 nan 0.000 0.424 586 G N 0.525 109.351 108.800 0.043 0.000 3.435 586 G HA2 0.027 3.988 3.960 0.001 0.000 0.683 586 G HA3 0.027 3.988 3.960 0.001 0.000 0.683 586 G C -0.124 174.808 174.900 0.052 0.000 1.189 586 G CA -0.711 44.413 45.100 0.041 0.000 1.069 586 G HN 0.584 nan 8.290 nan 0.000 0.508 587 G N 1.486 110.327 108.800 0.069 0.000 2.444 587 G HA2 0.454 4.415 3.960 0.001 0.000 0.303 587 G HA3 0.454 4.415 3.960 0.001 0.000 0.303 587 G C 0.722 175.683 174.900 0.102 0.000 1.032 587 G CA 0.049 45.205 45.100 0.092 0.000 1.137 587 G HN 0.548 nan 8.290 nan 0.000 0.430 588 N N 3.266 122.010 118.700 0.074 0.000 2.202 588 N HA 0.040 4.781 4.740 0.001 0.000 0.191 588 N C -0.468 175.084 175.510 0.071 0.000 1.054 588 N CA 0.457 53.547 53.050 0.067 0.000 0.877 588 N CB -0.487 38.025 38.487 0.042 0.000 1.057 588 N HN 0.212 nan 8.380 nan 0.000 0.456 589 P HA -0.121 nan 4.420 nan 0.000 0.219 589 P C 0.966 178.294 177.300 0.047 0.000 1.146 589 P CA 1.112 64.243 63.100 0.052 0.000 0.808 589 P CB 0.075 31.805 31.700 0.051 0.000 0.779 590 E N -0.117 120.103 120.200 0.033 0.000 2.012 590 E HA -0.228 4.123 4.350 0.001 0.000 0.197 590 E C 1.320 177.865 176.600 -0.092 0.000 1.007 590 E CA 1.765 58.139 56.400 -0.042 0.000 0.816 590 E CB -1.488 28.177 29.700 -0.058 0.000 0.762 590 E HN 0.280 nan 8.360 nan 0.000 0.451 591 Y N 0.007 120.325 120.300 0.029 0.000 2.553 591 Y HA 0.167 4.718 4.550 0.001 0.000 0.303 591 Y C 1.740 177.659 175.900 0.032 0.000 1.194 591 Y CA 0.164 58.280 58.100 0.027 0.000 1.305 591 Y CB 0.189 38.660 38.460 0.018 0.000 1.045 591 Y HN 0.094 nan 8.280 nan 0.000 0.514 592 L N -1.547 119.749 121.223 0.122 0.000 2.168 592 L HA -0.059 4.282 4.340 0.001 0.000 0.203 592 L C 2.540 179.460 176.870 0.083 0.000 1.078 592 L CA 0.877 55.777 54.840 0.100 0.000 0.780 592 L CB -0.453 41.653 42.059 0.079 0.000 0.939 592 L HN 0.215 nan 8.230 nan 0.000 0.451 593 A N 0.036 122.894 122.820 0.063 0.000 1.933 593 A HA -0.164 4.157 4.320 0.001 0.000 0.218 593 A C 2.460 180.054 177.584 0.016 0.000 1.175 593 A CA 1.580 53.658 52.037 0.068 0.000 0.628 593 A CB -0.643 18.416 19.000 0.098 0.000 0.814 593 A HN 0.403 nan 8.150 nan 0.000 0.444 594 A N -0.116 122.692 122.820 -0.020 0.000 1.940 594 A HA 0.112 4.433 4.320 0.001 0.000 0.219 594 A C 2.459 180.058 177.584 0.025 0.000 1.176 594 A CA 2.162 54.180 52.037 -0.031 0.000 0.631 594 A CB -0.872 18.105 19.000 -0.039 0.000 0.814 594 A HN 1.002 nan 8.150 nan 0.000 0.446 595 A N -0.303 122.553 122.820 0.059 0.000 1.872 595 A HA 0.090 4.411 4.320 0.001 0.000 0.214 595 A C 1.910 179.506 177.584 0.019 0.000 1.187 595 A CA 1.229 53.298 52.037 0.053 0.000 0.614 595 A CB -0.526 18.518 19.000 0.073 0.000 0.826 595 A HN 0.445 nan 8.150 nan 0.000 0.442 596 L N 0.198 121.433 121.223 0.020 0.000 2.622 596 L HA -0.014 4.327 4.340 0.001 0.000 0.233 596 L C 1.880 178.703 176.870 -0.079 0.000 1.156 596 L CA 0.002 54.840 54.840 -0.004 0.000 0.866 596 L CB -0.521 41.562 42.059 0.039 0.000 0.980 596 L HN 0.397 nan 8.230 nan 0.000 0.448 597 L N 0.166 121.319 121.223 -0.117 0.000 2.034 597 L HA -0.149 4.191 4.340 0.001 0.000 0.203 597 L C 2.284 179.048 176.870 -0.176 0.000 1.074 597 L CA 1.212 55.903 54.840 -0.248 0.000 0.748 597 L CB -0.442 41.483 42.059 -0.223 0.000 0.905 597 L HN 0.363 nan 8.230 nan 0.000 0.439 598 E N -0.126 120.017 120.200 -0.095 0.000 2.505 598 E HA -0.127 4.224 4.350 0.001 0.000 0.197 598 E C 1.155 177.728 176.600 -0.046 0.000 1.111 598 E CA 0.530 56.894 56.400 -0.061 0.000 0.887 598 E CB 0.291 29.973 29.700 -0.030 0.000 0.913 598 E HN 0.310 nan 8.360 nan 0.000 0.517 599 K N 0.590 120.959 120.400 -0.053 0.000 3.857 599 K HA 0.222 4.543 4.320 0.001 0.000 0.259 599 K C -0.476 176.105 176.600 -0.032 0.000 1.373 599 K CA -0.231 56.036 56.287 -0.034 0.000 1.484 599 K CB 0.600 33.085 32.500 -0.025 0.000 2.418 599 K HN -0.058 nan 8.250 nan 0.000 0.500 600 E N 1.250 121.434 120.200 -0.028 0.000 1.963 600 E HA 0.265 4.615 4.350 0.001 0.000 0.274 600 E C -0.404 176.200 176.600 0.005 0.000 1.061 600 E CA -0.460 55.947 56.400 0.011 0.000 0.847 600 E CB 0.866 30.564 29.700 -0.003 0.000 1.083 600 E HN 0.501 nan 8.360 nan 0.000 0.402 601 G N 1.969 110.757 108.800 -0.020 0.000 2.818 601 G HA2 -0.140 3.821 3.960 0.001 0.000 0.235 601 G HA3 -0.140 3.821 3.960 0.001 0.000 0.235 601 G C 0.555 175.502 174.900 0.078 0.000 1.244 601 G CA -0.213 44.822 45.100 -0.109 0.000 0.853 601 G HN 0.501 nan 8.290 nan 0.000 0.596 602 F N -0.616 119.393 119.950 0.097 0.000 2.123 602 F HA 0.118 4.646 4.527 0.001 0.000 0.289 602 F C 1.895 177.767 175.800 0.121 0.000 1.099 602 F CA 0.555 58.621 58.000 0.109 0.000 1.234 602 F CB -1.488 37.558 39.000 0.076 0.000 1.034 602 F HN 0.375 nan 8.300 nan 0.000 0.479 603 D N 1.209 122.003 120.400 0.658 0.000 2.708 603 D HA -0.329 4.312 4.640 0.001 0.000 0.217 603 D C 2.379 178.802 176.300 0.205 0.000 1.094 603 D CA 2.572 56.728 54.000 0.261 0.000 0.941 603 D CB -0.632 40.313 40.800 0.241 0.000 1.220 603 D HN 0.239 nan 8.370 nan 0.000 0.495 604 R N 0.168 120.774 120.500 0.177 0.000 2.132 604 R HA -0.195 4.146 4.340 0.001 0.000 0.233 604 R C 2.246 178.638 176.300 0.153 0.000 1.125 604 R CA 1.528 57.686 56.100 0.096 0.000 0.914 604 R CB -1.035 29.259 30.300 -0.011 0.000 0.845 604 R HN 0.371 nan 8.270 nan 0.000 0.431 605 Y N 1.411 121.801 120.300 0.151 0.000 2.572 605 Y HA -0.077 4.474 4.550 0.001 0.000 0.340 605 Y C 2.140 178.162 175.900 0.202 0.000 1.224 605 Y CA -0.176 58.019 58.100 0.157 0.000 1.260 605 Y CB 0.078 38.604 38.460 0.110 0.000 1.078 605 Y HN 0.407 nan 8.280 nan 0.000 0.491 606 E N 0.293 120.704 120.200 0.351 0.000 2.118 606 E HA -0.277 4.073 4.350 0.001 0.000 0.195 606 E C 1.859 178.627 176.600 0.281 0.000 0.992 606 E CA 1.087 57.650 56.400 0.271 0.000 0.804 606 E CB -0.239 29.564 29.700 0.172 0.000 0.741 606 E HN 0.680 nan 8.360 nan 0.000 0.458 607 W N 1.015 122.419 121.300 0.174 0.000 2.374 607 W HA -0.158 4.503 4.660 0.001 0.000 0.288 607 W C 1.614 178.236 176.519 0.172 0.000 1.218 607 W CA 1.438 58.879 57.345 0.160 0.000 1.245 607 W CB 0.155 29.704 29.460 0.148 0.000 1.126 607 W HN 0.049 nan 8.180 nan 0.000 0.545 608 K N -1.247 119.424 120.400 0.453 0.000 2.262 608 K HA 0.002 4.323 4.320 0.001 0.000 0.200 608 K C 1.845 178.573 176.600 0.213 0.000 1.058 608 K CA 0.716 57.181 56.287 0.297 0.000 0.974 608 K CB -0.883 31.741 32.500 0.205 0.000 0.910 608 K HN -0.231 nan 8.250 nan 0.000 0.484 609 V N 1.912 121.942 119.914 0.193 0.000 2.220 609 V HA -0.349 3.772 4.120 0.001 0.000 0.250 609 V C 1.850 178.093 176.094 0.248 0.000 1.056 609 V CA 2.209 64.616 62.300 0.179 0.000 1.016 609 V CB -0.376 31.571 31.823 0.206 0.000 0.639 609 V HN 0.347 nan 8.190 nan 0.000 0.446 610 E N -0.473 119.855 120.200 0.214 0.000 2.077 610 E HA -0.216 4.134 4.350 0.001 0.000 0.193 610 E C 1.999 178.689 176.600 0.151 0.000 0.989 610 E CA 1.137 57.641 56.400 0.173 0.000 0.800 610 E CB -0.290 29.500 29.700 0.150 0.000 0.746 610 E HN 0.373 nan 8.360 nan 0.000 0.452 611 L N 0.221 121.543 121.223 0.164 0.000 2.353 611 L HA -0.096 4.245 4.340 0.001 0.000 0.220 611 L C 1.677 178.639 176.870 0.154 0.000 1.133 611 L CA 1.403 56.325 54.840 0.137 0.000 0.798 611 L CB -0.367 41.791 42.059 0.164 0.000 0.922 611 L HN 0.120 nan 8.230 nan 0.000 0.445 612 F N -0.849 119.131 119.950 0.051 0.000 2.219 612 F HA -0.024 4.504 4.527 0.001 0.000 0.294 612 F C 2.142 177.961 175.800 0.031 0.000 1.086 612 F CA 1.124 59.141 58.000 0.029 0.000 1.330 612 F CB 0.011 39.013 39.000 0.003 0.000 1.047 612 F HN -0.012 nan 8.300 nan 0.000 0.495 613 I N 0.597 121.168 120.570 0.001 0.000 2.226 613 I HA -0.268 3.903 4.170 0.001 0.000 0.245 613 I C 2.177 178.224 176.117 -0.115 0.000 1.100 613 I CA 1.495 62.742 61.300 -0.089 0.000 1.374 613 I CB -0.504 37.535 38.000 0.066 0.000 1.057 613 I HN 0.094 nan 8.210 nan 0.000 0.413 614 K N 1.218 121.594 120.400 -0.040 0.000 2.296 614 K HA -0.127 4.194 4.320 0.001 0.000 0.200 614 K C 1.931 178.492 176.600 -0.065 0.000 1.048 614 K CA 1.191 57.463 56.287 -0.026 0.000 0.966 614 K CB 0.099 32.611 32.500 0.020 0.000 0.754 614 K HN -0.081 nan 8.250 nan 0.000 0.466 615 K N -0.337 119.996 120.400 -0.112 0.000 2.098 615 K HA 0.113 4.434 4.320 0.001 0.000 0.203 615 K C 1.849 178.341 176.600 -0.181 0.000 1.051 615 K CA 1.094 57.313 56.287 -0.113 0.000 0.957 615 K CB -0.139 32.319 32.500 -0.069 0.000 0.738 615 K HN 0.095 nan 8.250 nan 0.000 0.447 616 M N -0.202 119.185 119.600 -0.355 0.000 2.059 616 M HA -0.149 4.332 4.480 0.001 0.000 0.259 616 M C 1.693 177.887 176.300 -0.176 0.000 1.072 616 M CA 1.499 56.593 55.300 -0.343 0.000 1.117 616 M CB -0.262 32.000 32.600 -0.564 0.000 1.320 616 M HN -0.059 nan 8.290 nan 0.000 0.408 617 V N 0.540 120.365 119.914 -0.149 0.000 2.324 617 V HA -0.324 3.797 4.120 0.001 0.000 0.250 617 V C 2.524 178.588 176.094 -0.049 0.000 1.060 617 V CA 2.020 64.276 62.300 -0.074 0.000 1.042 617 V CB -1.680 30.116 31.823 -0.045 0.000 0.650 617 V HN 0.671 nan 8.190 nan 0.000 0.450 618 A N -0.588 122.201 122.820 -0.051 0.000 1.969 618 A HA 0.252 4.573 4.320 0.001 0.000 0.218 618 A C 1.755 179.322 177.584 -0.029 0.000 1.169 618 A CA 1.289 53.309 52.037 -0.028 0.000 0.635 618 A CB -0.728 18.258 19.000 -0.023 0.000 0.810 618 A HN 1.571 nan 8.150 nan 0.000 0.445 619 G N -0.597 108.175 108.800 -0.047 0.000 2.734 619 G HA2 -0.147 3.814 3.960 0.001 0.000 0.277 619 G HA3 -0.147 3.814 3.960 0.001 0.000 0.277 619 G C -0.360 174.526 174.900 -0.024 0.000 1.099 619 G CA 0.164 45.243 45.100 -0.035 0.000 1.218 619 G HN 0.502 nan 8.290 nan 0.000 0.554 620 K N 0.785 121.168 120.400 -0.029 0.000 2.827 620 K HA 0.258 4.578 4.320 0.001 0.000 0.186 620 K C 1.333 177.933 176.600 0.001 0.000 1.093 620 K CA -0.055 56.225 56.287 -0.010 0.000 0.993 620 K CB 0.812 33.307 32.500 -0.008 0.000 1.199 620 K HN 0.611 nan 8.250 nan 0.000 0.598 621 E N 1.510 121.714 120.200 0.006 0.000 2.187 621 E HA -0.315 4.036 4.350 0.001 0.000 0.199 621 E C 1.335 177.955 176.600 0.033 0.000 1.004 621 E CA 1.821 58.234 56.400 0.020 0.000 0.813 621 E CB 0.095 29.805 29.700 0.018 0.000 0.736 621 E HN 0.499 nan 8.360 nan 0.000 0.468 622 E N 1.621 121.836 120.200 0.026 0.000 2.051 622 E HA -0.177 4.173 4.350 0.001 0.000 0.189 622 E C 1.800 178.425 176.600 0.042 0.000 0.979 622 E CA 1.316 57.734 56.400 0.030 0.000 0.803 622 E CB -0.357 29.355 29.700 0.021 0.000 0.761 622 E HN 0.592 nan 8.360 nan 0.000 0.451 623 E N 1.011 121.235 120.200 0.040 0.000 2.230 623 E HA 0.102 4.453 4.350 0.001 0.000 0.192 623 E C 2.041 178.697 176.600 0.093 0.000 0.987 623 E CA 0.652 57.085 56.400 0.055 0.000 0.841 623 E CB 0.030 29.753 29.700 0.038 0.000 0.783 623 E HN 0.348 nan 8.360 nan 0.000 0.481 624 A N 2.582 125.454 122.820 0.087 0.000 1.929 624 A HA -0.178 4.143 4.320 0.001 0.000 0.216 624 A C 2.229 179.973 177.584 0.267 0.000 1.176 624 A CA 1.203 53.335 52.037 0.158 0.000 0.628 624 A CB -0.427 18.599 19.000 0.043 0.000 0.816 624 A HN 0.194 nan 8.150 nan 0.000 0.444 625 R N -0.429 120.163 120.500 0.153 0.000 2.073 625 R HA 0.113 4.454 4.340 0.001 0.000 0.229 625 R C 2.186 178.533 176.300 0.079 0.000 1.120 625 R CA 1.316 57.487 56.100 0.118 0.000 0.967 625 R CB -0.711 29.633 30.300 0.073 0.000 0.862 625 R HN 0.271 nan 8.270 nan 0.000 0.436 626 A N 2.248 125.112 122.820 0.074 0.000 1.908 626 A HA -0.067 4.254 4.320 0.001 0.000 0.218 626 A C 2.352 179.960 177.584 0.040 0.000 1.181 626 A CA 1.290 53.357 52.037 0.050 0.000 0.627 626 A CB -0.536 18.495 19.000 0.052 0.000 0.818 626 A HN 0.294 nan 8.150 nan 0.000 0.445 627 L N -0.973 120.299 121.223 0.081 0.000 2.141 627 L HA -0.124 4.217 4.340 0.001 0.000 0.209 627 L C 2.994 179.779 176.870 -0.142 0.000 1.094 627 L CA 0.875 55.744 54.840 0.048 0.000 0.763 627 L CB -0.543 41.646 42.059 0.217 0.000 0.908 627 L HN 0.415 nan 8.230 nan 0.000 0.437 628 A N -0.661 122.084 122.820 -0.125 0.000 1.969 628 A HA -0.168 4.153 4.320 0.001 0.000 0.218 628 A C 2.304 179.769 177.584 -0.198 0.000 1.169 628 A CA 1.072 52.926 52.037 -0.305 0.000 0.635 628 A CB -0.238 18.708 19.000 -0.089 0.000 0.810 628 A HN 0.350 nan 8.150 nan 0.000 0.445 629 Q N 0.010 119.754 119.800 -0.092 0.000 2.079 629 Q HA -0.148 4.193 4.340 0.001 0.000 0.200 629 Q C 1.719 177.681 176.000 -0.064 0.000 0.974 629 Q CA 1.656 57.423 55.803 -0.060 0.000 0.840 629 Q CB -0.419 28.308 28.738 -0.019 0.000 0.898 629 Q HN 0.821 nan 8.270 nan 0.000 0.430 630 E N 0.076 120.239 120.200 -0.062 0.000 2.338 630 E HA -0.024 4.327 4.350 0.001 0.000 0.197 630 E C 0.423 176.970 176.600 -0.090 0.000 1.007 630 E CA 0.175 56.561 56.400 -0.023 0.000 0.849 630 E CB 0.166 29.879 29.700 0.022 0.000 0.774 630 E HN 0.188 nan 8.360 nan 0.000 0.506 631 L N -0.875 120.199 121.223 -0.248 0.000 2.376 631 L HA 0.385 4.726 4.340 0.001 0.000 0.267 631 L C 1.022 177.750 176.870 -0.236 0.000 1.035 631 L CA -0.668 53.937 54.840 -0.393 0.000 0.800 631 L CB 1.076 42.770 42.059 -0.608 0.000 1.290 631 L HN -0.098 nan 8.230 nan 0.000 0.462 632 G N 1.357 110.033 108.800 -0.207 0.000 3.741 632 G HA2 0.386 4.347 3.960 0.001 0.000 0.263 632 G HA3 0.386 4.347 3.960 0.001 0.000 0.263 632 G C -0.060 174.754 174.900 -0.144 0.000 1.175 632 G CA -0.197 44.830 45.100 -0.122 0.000 1.642 632 G HN 0.331 nan 8.290 nan 0.000 0.644 633 I N 1.407 121.855 120.570 -0.204 0.000 2.287 633 I HA 0.387 4.558 4.170 0.001 0.000 0.290 633 I C 0.110 176.170 176.117 -0.095 0.000 1.069 633 I CA -0.876 60.310 61.300 -0.190 0.000 1.237 633 I CB 0.637 38.410 38.000 -0.379 0.000 1.418 633 I HN -0.058 nan 8.210 nan 0.000 0.481 634 R N 3.686 124.158 120.500 -0.048 0.000 2.607 634 R HA 0.296 4.637 4.340 0.001 0.000 0.261 634 R C 1.196 177.500 176.300 0.007 0.000 1.051 634 R CA -0.811 55.278 56.100 -0.018 0.000 1.110 634 R CB 0.712 31.004 30.300 -0.014 0.000 1.158 634 R HN 0.437 nan 8.270 nan 0.000 0.543 635 E N 1.402 121.611 120.200 0.016 0.000 2.164 635 E HA -0.289 4.062 4.350 0.001 0.000 0.206 635 E C 1.474 178.092 176.600 0.031 0.000 1.032 635 E CA 1.685 58.102 56.400 0.028 0.000 0.832 635 E CB 0.083 29.795 29.700 0.021 0.000 0.742 635 E HN 0.619 nan 8.360 nan 0.000 0.460 636 E N 0.267 120.480 120.200 0.022 0.000 2.085 636 E HA -0.187 4.164 4.350 0.001 0.000 0.194 636 E C 2.304 178.925 176.600 0.035 0.000 0.994 636 E CA 0.969 57.383 56.400 0.023 0.000 0.801 636 E CB -0.058 29.651 29.700 0.015 0.000 0.743 636 E HN 0.229 nan 8.360 nan 0.000 0.453 637 L N 0.322 121.568 121.223 0.039 0.000 2.095 637 L HA -0.122 4.219 4.340 0.001 0.000 0.204 637 L C 2.645 179.579 176.870 0.106 0.000 1.080 637 L CA 0.522 55.399 54.840 0.062 0.000 0.759 637 L CB -0.308 41.778 42.059 0.046 0.000 0.914 637 L HN 0.239 nan 8.230 nan 0.000 0.439 638 L N -0.243 121.051 121.223 0.119 0.000 2.187 638 L HA -0.238 4.103 4.340 0.001 0.000 0.213 638 L C 2.518 179.443 176.870 0.091 0.000 1.100 638 L CA 0.993 55.928 54.840 0.158 0.000 0.765 638 L CB -0.238 41.907 42.059 0.143 0.000 0.904 638 L HN 0.269 nan 8.230 nan 0.000 0.437 639 E N -0.088 120.150 120.200 0.064 0.000 2.086 639 E HA -0.170 4.181 4.350 0.001 0.000 0.190 639 E C 2.115 178.738 176.600 0.037 0.000 0.975 639 E CA 0.590 57.015 56.400 0.042 0.000 0.813 639 E CB 0.012 29.731 29.700 0.032 0.000 0.768 639 E HN 0.054 nan 8.360 nan 0.000 0.457 640 R N 0.397 120.922 120.500 0.042 0.000 2.193 640 R HA 0.029 4.370 4.340 0.001 0.000 0.229 640 R C 1.857 178.182 176.300 0.041 0.000 1.110 640 R CA 1.075 57.198 56.100 0.038 0.000 0.988 640 R CB -0.550 29.775 30.300 0.041 0.000 0.871 640 R HN 0.293 nan 8.270 nan 0.000 0.458 641 I N -0.503 120.098 120.570 0.051 0.000 2.333 641 I HA -0.138 4.033 4.170 0.001 0.000 0.246 641 I C 2.206 178.330 176.117 0.012 0.000 1.106 641 I CA 0.998 62.321 61.300 0.038 0.000 1.411 641 I CB -0.204 37.823 38.000 0.046 0.000 1.082 641 I HN 0.114 nan 8.210 nan 0.000 0.420 642 R N 0.516 121.024 120.500 0.013 0.000 2.115 642 R HA -0.180 4.161 4.340 0.001 0.000 0.230 642 R C 2.165 178.470 176.300 0.007 0.000 1.111 642 R CA 1.272 57.374 56.100 0.003 0.000 0.976 642 R CB -0.168 30.137 30.300 0.008 0.000 0.870 642 R HN 0.433 nan 8.270 nan 0.000 0.445 643 E N 1.091 121.299 120.200 0.013 0.000 2.046 643 E HA -0.153 4.198 4.350 0.001 0.000 0.190 643 E C 1.914 178.521 176.600 0.012 0.000 0.982 643 E CA 0.908 57.315 56.400 0.012 0.000 0.800 643 E CB 0.002 29.710 29.700 0.014 0.000 0.756 643 E HN 0.225 nan 8.360 nan 0.000 0.449 644 I N 1.039 121.619 120.570 0.018 0.000 2.142 644 I HA -0.295 3.876 4.170 0.001 0.000 0.240 644 I C 2.980 179.107 176.117 0.017 0.000 1.078 644 I CA 1.391 62.704 61.300 0.022 0.000 1.343 644 I CB -0.391 37.632 38.000 0.039 0.000 1.046 644 I HN 0.205 nan 8.210 nan 0.000 0.405 645 R N 1.063 121.570 120.500 0.012 0.000 2.094 645 R HA -0.265 4.076 4.340 0.001 0.000 0.239 645 R C 2.029 178.332 176.300 0.004 0.000 1.137 645 R CA 2.158 58.261 56.100 0.004 0.000 0.943 645 R CB -0.301 29.992 30.300 -0.011 0.000 0.850 645 R HN 0.183 nan 8.270 nan 0.000 0.433 646 E N 0.260 120.461 120.200 0.002 0.000 2.418 646 E HA -0.136 4.214 4.350 0.001 0.000 0.197 646 E C 1.588 178.190 176.600 0.003 0.000 1.026 646 E CA 0.835 57.236 56.400 0.002 0.000 0.862 646 E CB 0.087 29.788 29.700 0.001 0.000 0.799 646 E HN 0.462 nan 8.360 nan 0.000 0.518 647 E N -0.895 119.308 120.200 0.005 0.000 2.122 647 E HA -0.109 4.242 4.350 0.001 0.000 0.190 647 E C 1.398 178.001 176.600 0.005 0.000 0.977 647 E CA 0.889 57.291 56.400 0.003 0.000 0.820 647 E CB -0.089 29.613 29.700 0.002 0.000 0.770 647 E HN 0.307 nan 8.360 nan 0.000 0.462 648 C N 1.447 120.752 119.300 0.010 0.000 2.467 648 C HA 0.101 4.562 4.460 0.001 0.000 0.279 648 C C 2.501 177.500 174.990 0.013 0.000 1.347 648 C CA 0.097 59.124 59.018 0.014 0.000 1.748 648 C CB -0.492 27.261 27.740 0.022 0.000 1.977 648 C HN 0.351 nan 8.230 nan 0.000 0.501 649 K N 0.856 121.262 120.400 0.010 0.000 2.103 649 K HA -0.170 4.151 4.320 0.001 0.000 0.207 649 K C 1.837 178.442 176.600 0.008 0.000 1.048 649 K CA 1.507 57.799 56.287 0.009 0.000 0.930 649 K CB -0.334 32.169 32.500 0.005 0.000 0.716 649 K HN 0.640 nan 8.250 nan 0.000 0.444 650 Q N -0.319 119.485 119.800 0.006 0.000 2.424 650 Q HA -0.077 4.264 4.340 0.001 0.000 0.204 650 Q C 1.137 177.140 176.000 0.005 0.000 0.933 650 Q CA 0.546 56.351 55.803 0.005 0.000 0.929 650 Q CB 0.278 29.017 28.738 0.002 0.000 1.037 650 Q HN 0.188 nan 8.270 nan 0.000 0.511 651 D N 0.602 121.007 120.400 0.008 0.000 2.277 651 D HA -0.090 4.551 4.640 0.001 0.000 0.209 651 D C 1.612 177.921 176.300 0.015 0.000 0.970 651 D CA 0.522 54.528 54.000 0.009 0.000 0.874 651 D CB 0.348 41.154 40.800 0.011 0.000 0.982 651 D HN 0.093 nan 8.370 nan 0.000 0.504 652 E N 0.695 120.905 120.200 0.016 0.000 2.012 652 E HA -0.231 4.120 4.350 0.001 0.000 0.197 652 E C 1.786 178.396 176.600 0.017 0.000 1.007 652 E CA 1.020 57.432 56.400 0.020 0.000 0.816 652 E CB -0.136 29.576 29.700 0.019 0.000 0.762 652 E HN 0.281 nan 8.360 nan 0.000 0.451 653 E N 0.736 120.943 120.200 0.013 0.000 2.130 653 E HA -0.244 4.107 4.350 0.001 0.000 0.196 653 E C 2.060 178.666 176.600 0.010 0.000 0.998 653 E CA 1.293 57.699 56.400 0.010 0.000 0.806 653 E CB -0.060 29.645 29.700 0.007 0.000 0.738 653 E HN 0.207 nan 8.360 nan 0.000 0.459 654 R N -0.423 120.082 120.500 0.009 0.000 2.093 654 R HA -0.008 4.333 4.340 0.001 0.000 0.224 654 R C 2.554 178.861 176.300 0.012 0.000 1.101 654 R CA 1.047 57.151 56.100 0.006 0.000 0.979 654 R CB 0.067 30.367 30.300 0.001 0.000 0.877 654 R HN 0.058 nan 8.270 nan 0.000 0.441 655 V N 0.622 120.546 119.914 0.018 0.000 2.407 655 V HA -0.098 4.023 4.120 0.001 0.000 0.245 655 V C 2.057 178.171 176.094 0.033 0.000 1.041 655 V CA 1.176 63.492 62.300 0.027 0.000 1.040 655 V CB -0.415 31.429 31.823 0.034 0.000 0.671 655 V HN 0.221 nan 8.190 nan 0.000 0.455 656 R N -0.085 120.433 120.500 0.029 0.000 2.369 656 R HA 0.019 4.360 4.340 0.001 0.000 0.200 656 R C 1.255 177.572 176.300 0.027 0.000 1.046 656 R CA 0.897 57.015 56.100 0.030 0.000 1.057 656 R CB -0.069 30.245 30.300 0.025 0.000 0.888 656 R HN 0.536 nan 8.270 nan 0.000 0.474 657 A N -0.940 121.895 122.820 0.024 0.000 2.606 657 A HA 0.173 4.494 4.320 0.001 0.000 0.230 657 A C 1.155 178.750 177.584 0.019 0.000 1.279 657 A CA -0.390 51.659 52.037 0.020 0.000 1.010 657 A CB 0.445 19.453 19.000 0.013 0.000 1.271 657 A HN 0.260 nan 8.150 nan 0.000 0.584 658 L N -0.728 120.508 121.223 0.021 0.000 2.592 658 L HA 0.325 4.666 4.340 0.001 0.000 0.227 658 L C 1.471 178.356 176.870 0.026 0.000 1.127 658 L CA 0.951 55.801 54.840 0.016 0.000 0.884 658 L CB 0.411 42.478 42.059 0.014 0.000 1.065 658 L HN 0.619 nan 8.230 nan 0.000 0.457 659 G N -0.902 107.924 108.800 0.043 0.000 2.475 659 G HA2 0.055 4.016 3.960 0.001 0.000 0.198 659 G HA3 0.055 4.016 3.960 0.001 0.000 0.198 659 G C 0.362 175.319 174.900 0.095 0.000 2.226 659 G CA -0.260 44.882 45.100 0.070 0.000 1.626 659 G HN 0.680 nan 8.290 nan 0.000 0.534 660 G N -1.329 107.536 108.800 0.109 0.000 2.350 660 G HA2 0.441 4.402 3.960 0.001 0.000 0.276 660 G HA3 0.441 4.402 3.960 0.001 0.000 0.276 660 G C 0.661 175.649 174.900 0.147 0.000 1.313 660 G CA 0.139 45.307 45.100 0.113 0.000 0.903 660 G HN 1.207 nan 8.290 nan 0.000 0.490 661 L N -1.129 120.175 121.223 0.134 0.000 1.970 661 L HA 0.290 4.631 4.340 0.001 0.000 0.212 661 L C 1.357 178.368 176.870 0.234 0.000 1.071 661 L CA 1.932 56.855 54.840 0.137 0.000 0.751 661 L CB -0.280 41.828 42.059 0.081 0.000 0.889 661 L HN 1.133 nan 8.230 nan 0.000 0.432 662 F N -0.280 119.705 119.950 0.059 0.000 2.205 662 F HA -0.211 4.317 4.527 0.001 0.000 0.442 662 F C -0.551 175.285 175.800 0.060 0.000 1.197 662 F CA -0.397 57.650 58.000 0.079 0.000 1.444 662 F CB -0.607 38.453 39.000 0.099 0.000 2.233 662 F HN -0.072 nan 8.300 nan 0.000 0.749 663 I N 6.852 127.153 120.570 -0.448 0.000 2.428 663 I HA 0.386 4.557 4.170 0.001 0.000 0.289 663 I C 0.383 176.223 176.117 -0.462 0.000 1.019 663 I CA -0.103 61.002 61.300 -0.324 0.000 1.351 663 I CB 0.982 38.854 38.000 -0.214 0.000 1.412 663 I HN 0.304 nan 8.210 nan 0.000 0.513 664 I N 5.726 126.141 120.570 -0.257 0.000 2.411 664 I HA 0.375 4.546 4.170 0.001 0.000 0.284 664 I C 0.420 176.353 176.117 -0.306 0.000 1.012 664 I CA -0.497 60.685 61.300 -0.197 0.000 1.119 664 I CB 1.427 39.405 38.000 -0.036 0.000 1.261 664 I HN 0.644 nan 8.210 nan 0.000 0.448 665 G N 3.147 111.584 108.800 -0.605 0.000 2.339 665 G HA2 0.271 4.232 3.960 0.001 0.000 0.287 665 G HA3 0.271 4.232 3.960 0.001 0.000 0.287 665 G C 0.590 175.275 174.900 -0.358 0.000 1.163 665 G CA -0.124 44.462 45.100 -0.857 0.000 0.872 665 G HN 0.592 nan 8.290 nan 0.000 0.464 666 T N 1.066 115.503 114.554 -0.196 0.000 2.896 666 T HA 0.051 4.402 4.350 0.001 0.000 0.263 666 T C 0.832 175.500 174.700 -0.053 0.000 1.050 666 T CA 1.537 63.530 62.100 -0.179 0.000 1.140 666 T CB -0.115 68.652 68.868 -0.168 0.000 0.877 666 T HN 0.821 nan 8.240 nan 0.000 0.457 667 E N -0.185 120.040 120.200 0.043 0.000 2.412 667 E HA 0.468 4.819 4.350 0.001 0.000 0.279 667 E C -1.423 175.308 176.600 0.218 0.000 0.984 667 E CA -1.078 55.398 56.400 0.127 0.000 0.788 667 E CB 1.455 31.176 29.700 0.034 0.000 1.277 667 E HN 0.007 nan 8.360 nan 0.000 0.455 668 R N 1.235 121.872 120.500 0.227 0.000 2.539 668 R HA 0.320 4.661 4.340 0.001 0.000 0.275 668 R C -0.243 176.097 176.300 0.066 0.000 1.077 668 R CA -0.391 55.815 56.100 0.176 0.000 1.097 668 R CB 0.334 30.636 30.300 0.002 0.000 1.018 668 R HN 0.510 nan 8.270 nan 0.000 0.483 669 H N 0.498 119.628 119.070 0.099 0.000 2.344 669 H HA 0.057 4.614 4.556 0.001 0.000 0.333 669 H C 0.358 175.695 175.328 0.015 0.000 1.607 669 H CA -0.420 55.674 56.048 0.077 0.000 1.455 669 H CB 0.487 30.296 29.762 0.077 0.000 1.716 669 H HN 0.579 nan 8.280 nan 0.000 0.646 670 E N -0.259 120.014 120.200 0.121 0.000 2.416 670 E HA 0.134 4.485 4.350 0.001 0.000 0.189 670 E C -0.540 176.025 176.600 -0.059 0.000 1.091 670 E CA 0.068 56.439 56.400 -0.049 0.000 0.889 670 E CB 0.309 29.929 29.700 -0.133 0.000 1.015 670 E HN 0.263 nan 8.360 nan 0.000 0.479 671 S N -1.027 114.670 115.700 -0.004 0.000 2.579 671 S HA 0.088 4.558 4.470 0.001 0.000 0.290 671 S C 0.479 175.053 174.600 -0.044 0.000 1.123 671 S CA -0.865 57.312 58.200 -0.038 0.000 0.894 671 S CB 0.774 63.951 63.200 -0.039 0.000 1.095 671 S HN 0.302 nan 8.310 nan 0.000 0.450 672 R N 3.394 123.852 120.500 -0.070 0.000 2.127 672 R HA -0.164 4.177 4.340 0.001 0.000 0.238 672 R C 1.896 178.145 176.300 -0.085 0.000 1.134 672 R CA 1.884 57.928 56.100 -0.093 0.000 0.975 672 R CB -0.635 29.608 30.300 -0.094 0.000 0.865 672 R HN 0.662 nan 8.270 nan 0.000 0.447 673 R N 1.308 121.769 120.500 -0.066 0.000 2.075 673 R HA 0.015 4.355 4.340 0.001 0.000 0.232 673 R C 2.107 178.364 176.300 -0.072 0.000 1.126 673 R CA 1.540 57.608 56.100 -0.054 0.000 0.963 673 R CB -0.727 29.554 30.300 -0.032 0.000 0.858 673 R HN 0.261 nan 8.270 nan 0.000 0.435 674 I N 2.269 122.787 120.570 -0.088 0.000 2.756 674 I HA -0.144 4.027 4.170 0.001 0.000 0.262 674 I C 1.178 177.089 176.117 -0.343 0.000 1.225 674 I CA 1.415 62.619 61.300 -0.160 0.000 1.472 674 I CB -0.450 37.486 38.000 -0.106 0.000 1.094 674 I HN 0.391 nan 8.210 nan 0.000 0.454 675 D N -1.287 118.985 120.400 -0.213 0.000 2.449 675 D HA -0.077 4.564 4.640 0.001 0.000 0.210 675 D C 1.468 177.774 176.300 0.010 0.000 1.094 675 D CA 0.163 54.087 54.000 -0.128 0.000 0.846 675 D CB -0.433 40.396 40.800 0.049 0.000 1.003 675 D HN -0.029 nan 8.370 nan 0.000 0.504 676 N N 0.544 119.213 118.700 -0.050 0.000 2.515 676 N HA -0.027 4.713 4.740 0.001 0.000 0.185 676 N C 1.293 176.803 175.510 -0.000 0.000 1.109 676 N CA 0.497 53.536 53.050 -0.019 0.000 0.903 676 N CB 0.187 38.650 38.487 -0.040 0.000 0.969 676 N HN 0.499 nan 8.380 nan 0.000 0.450 677 Q N 0.031 119.819 119.800 -0.021 0.000 2.163 677 Q HA 0.110 4.451 4.340 0.001 0.000 0.198 677 Q C 2.043 178.043 176.000 0.001 0.000 0.954 677 Q CA 0.277 56.069 55.803 -0.019 0.000 0.851 677 Q CB 0.209 28.921 28.738 -0.042 0.000 0.928 677 Q HN 0.284 nan 8.270 nan 0.000 0.459 678 L N 0.799 122.033 121.223 0.018 0.000 2.046 678 L HA -0.197 4.144 4.340 0.001 0.000 0.208 678 L C 2.393 179.280 176.870 0.029 0.000 1.077 678 L CA 1.329 56.190 54.840 0.035 0.000 0.747 678 L CB -0.072 42.042 42.059 0.092 0.000 0.896 678 L HN 0.200 nan 8.230 nan 0.000 0.432 679 R N -0.859 119.689 120.500 0.080 0.000 2.148 679 R HA -0.084 4.257 4.340 0.001 0.000 0.223 679 R C 2.133 178.435 176.300 0.005 0.000 1.088 679 R CA 0.947 57.072 56.100 0.041 0.000 0.985 679 R CB -0.474 29.878 30.300 0.087 0.000 0.880 679 R HN 0.440 nan 8.270 nan 0.000 0.451 680 G N 0.788 109.595 108.800 0.011 0.000 2.443 680 G HA2 -0.228 3.733 3.960 0.001 0.000 0.219 680 G HA3 -0.228 3.733 3.960 0.001 0.000 0.219 680 G C 1.364 176.266 174.900 0.003 0.000 1.131 680 G CA 0.047 45.148 45.100 0.003 0.000 0.775 680 G HN 0.209 nan 8.290 nan 0.000 0.547 681 R N 0.346 120.847 120.500 0.002 0.000 2.241 681 R HA 0.097 4.438 4.340 0.001 0.000 0.224 681 R C 1.216 177.521 176.300 0.007 0.000 1.101 681 R CA 0.682 56.785 56.100 0.005 0.000 0.995 681 R CB -0.156 30.146 30.300 0.003 0.000 0.870 681 R HN 0.394 nan 8.270 nan 0.000 0.463 682 A N -0.818 122.001 122.820 -0.001 0.000 2.299 682 A HA 0.548 4.869 4.320 0.001 0.000 0.332 682 A C 0.478 178.070 177.584 0.012 0.000 1.131 682 A CA 0.016 52.058 52.037 0.009 0.000 0.844 682 A CB 0.899 19.896 19.000 -0.004 0.000 1.251 682 A HN 0.262 nan 8.150 nan 0.000 0.486 683 G N 0.683 109.498 108.800 0.025 0.000 2.366 683 G HA2 -0.309 3.652 3.960 0.001 0.000 0.299 683 G HA3 -0.309 3.652 3.960 0.001 0.000 0.299 683 G C 0.727 175.637 174.900 0.017 0.000 1.020 683 G CA 1.049 46.162 45.100 0.021 0.000 1.026 683 G HN 1.226 nan 8.290 nan 0.000 0.512 684 R N -0.916 119.598 120.500 0.023 0.000 2.221 684 R HA -0.046 4.295 4.340 0.001 0.000 0.215 684 R C 0.803 177.117 176.300 0.023 0.000 1.092 684 R CA 1.050 57.165 56.100 0.026 0.000 0.858 684 R CB -0.322 29.999 30.300 0.035 0.000 0.791 684 R HN 0.371 nan 8.270 nan 0.000 0.442 685 Q N 1.379 121.194 119.800 0.025 0.000 2.503 685 Q HA 0.154 4.495 4.340 0.001 0.000 0.227 685 Q C 0.203 176.202 176.000 -0.002 0.000 1.109 685 Q CA 0.543 56.352 55.803 0.011 0.000 0.922 685 Q CB 1.410 30.157 28.738 0.014 0.000 1.249 685 Q HN 0.846 nan 8.270 nan 0.000 0.530 686 G N 3.400 112.197 108.800 -0.004 0.000 2.249 686 G HA2 -0.285 3.676 3.960 0.001 0.000 0.269 686 G HA3 -0.285 3.676 3.960 0.001 0.000 0.269 686 G C 0.186 175.088 174.900 0.003 0.000 0.979 686 G CA 0.535 45.631 45.100 -0.006 0.000 0.644 686 G HN 0.534 nan 8.290 nan 0.000 0.546 687 D N 1.602 122.009 120.400 0.011 0.000 2.390 687 D HA 0.402 5.043 4.640 0.001 0.000 0.236 687 D C -1.635 174.680 176.300 0.026 0.000 1.189 687 D CA -0.723 53.289 54.000 0.020 0.000 0.887 687 D CB 0.345 41.162 40.800 0.028 0.000 1.198 687 D HN 0.184 nan 8.370 nan 0.000 0.444 688 P HA 0.476 nan 4.420 nan 0.000 0.274 688 P C -0.378 176.959 177.300 0.063 0.000 1.256 688 P CA -0.292 62.836 63.100 0.046 0.000 0.795 688 P CB 0.909 32.639 31.700 0.050 0.000 1.038 689 G N -1.355 107.495 108.800 0.084 0.000 2.358 689 G HA2 0.510 4.471 3.960 0.001 0.000 0.303 689 G HA3 0.510 4.471 3.960 0.001 0.000 0.303 689 G C -1.411 173.568 174.900 0.133 0.000 1.537 689 G CA -0.047 45.124 45.100 0.117 0.000 0.928 689 G HN 0.706 nan 8.290 nan 0.000 0.656 690 G N -1.092 107.836 108.800 0.213 0.000 2.708 690 G HA2 1.071 5.032 3.960 0.001 0.000 0.289 690 G HA3 1.071 5.032 3.960 0.001 0.000 0.289 690 G C -0.436 174.307 174.900 -0.262 0.000 1.416 690 G CA 0.564 45.768 45.100 0.173 0.000 0.829 690 G HN 2.077 nan 8.290 nan 0.000 0.480 691 S N -1.020 114.490 115.700 -0.317 0.000 2.596 691 S HA 0.864 5.335 4.470 0.001 0.000 0.270 691 S C -0.995 173.549 174.600 -0.094 0.000 1.155 691 S CA -0.930 56.995 58.200 -0.458 0.000 0.827 691 S CB 2.569 65.658 63.200 -0.186 0.000 1.130 691 S HN 1.192 nan 8.310 nan 0.000 0.467 692 R N 0.639 121.100 120.500 -0.066 0.000 2.633 692 R HA 0.502 4.843 4.340 0.001 0.000 0.256 692 R C -2.214 174.173 176.300 0.146 0.000 1.131 692 R CA -0.550 55.663 56.100 0.188 0.000 0.994 692 R CB 0.856 31.351 30.300 0.326 0.000 1.261 692 R HN 0.604 nan 8.270 nan 0.000 0.446 693 F N 2.476 122.441 119.950 0.026 0.000 2.440 693 F HA 0.565 5.093 4.527 0.001 0.000 0.328 693 F C -0.461 175.292 175.800 -0.078 0.000 1.070 693 F CA -0.158 57.898 58.000 0.094 0.000 1.011 693 F CB 1.187 40.228 39.000 0.068 0.000 1.226 693 F HN 0.349 nan 8.300 nan 0.000 0.491 694 Y N 0.158 120.575 120.300 0.195 0.000 2.524 694 Y HA 0.740 5.291 4.550 0.001 0.000 0.344 694 Y C -0.600 175.370 175.900 0.116 0.000 1.012 694 Y CA -1.220 56.954 58.100 0.123 0.000 1.068 694 Y CB 1.890 40.364 38.460 0.022 0.000 1.249 694 Y HN 0.209 nan 8.280 nan 0.000 0.468 695 V N 0.971 121.016 119.914 0.219 0.000 3.114 695 V HA 0.793 4.914 4.120 0.001 0.000 0.308 695 V C -0.963 175.214 176.094 0.138 0.000 1.168 695 V CA -1.006 61.391 62.300 0.162 0.000 1.015 695 V CB 2.207 34.113 31.823 0.138 0.000 1.050 695 V HN 0.776 nan 8.190 nan 0.000 0.433 696 S N 1.093 116.871 115.700 0.130 0.000 2.541 696 S HA 0.614 5.085 4.470 0.001 0.000 0.271 696 S C -0.087 174.649 174.600 0.228 0.000 1.133 696 S CA -0.518 57.728 58.200 0.076 0.000 0.876 696 S CB 1.378 64.608 63.200 0.050 0.000 1.105 696 S HN 0.371 nan 8.310 nan 0.000 0.470 697 F N 1.491 121.478 119.950 0.062 0.000 2.494 697 F HA 0.088 4.616 4.527 0.001 0.000 0.298 697 F C 1.744 177.574 175.800 0.050 0.000 1.106 697 F CA 0.375 58.407 58.000 0.054 0.000 1.452 697 F CB -0.738 38.301 39.000 0.065 0.000 1.085 697 F HN 0.609 nan 8.300 nan 0.000 0.569 698 D N -0.161 120.368 120.400 0.215 0.000 2.301 698 D HA -0.030 4.611 4.640 0.001 0.000 0.206 698 D C 0.372 176.737 176.300 0.107 0.000 0.979 698 D CA 0.394 54.477 54.000 0.138 0.000 0.874 698 D CB -0.182 40.681 40.800 0.106 0.000 0.968 698 D HN 0.351 nan 8.370 nan 0.000 0.510 699 D N 0.422 120.889 120.400 0.112 0.000 2.378 699 D HA -0.064 4.577 4.640 0.001 0.000 0.238 699 D C 0.706 177.057 176.300 0.085 0.000 1.180 699 D CA -0.198 53.859 54.000 0.094 0.000 0.895 699 D CB 0.927 41.777 40.800 0.083 0.000 1.192 699 D HN -0.247 nan 8.370 nan 0.000 0.438 700 D N -0.293 120.152 120.400 0.074 0.000 2.355 700 D HA -0.267 4.374 4.640 0.001 0.000 0.192 700 D C 1.865 178.215 176.300 0.083 0.000 1.014 700 D CA 1.840 55.878 54.000 0.063 0.000 0.862 700 D CB -0.138 40.724 40.800 0.103 0.000 0.986 700 D HN 0.419 nan 8.370 nan 0.000 0.456 701 L N -0.009 121.325 121.223 0.185 0.000 2.030 701 L HA -0.260 4.081 4.340 0.001 0.000 0.222 701 L C 2.033 179.019 176.870 0.193 0.000 1.082 701 L CA 1.686 56.698 54.840 0.287 0.000 0.785 701 L CB -0.431 41.748 42.059 0.199 0.000 0.895 701 L HN 0.270 nan 8.230 nan 0.000 0.439 702 M N -0.489 119.184 119.600 0.121 0.000 2.460 702 M HA -0.137 4.344 4.480 0.001 0.000 0.263 702 M C 2.110 178.424 176.300 0.024 0.000 1.071 702 M CA 1.372 56.721 55.300 0.082 0.000 1.096 702 M CB -0.906 31.766 32.600 0.119 0.000 1.408 702 M HN 0.500 nan 8.290 nan 0.000 0.463 703 R N -1.000 119.485 120.500 -0.025 0.000 2.191 703 R HA 0.189 4.530 4.340 0.001 0.000 0.196 703 R C 2.007 178.192 176.300 -0.191 0.000 0.991 703 R CA 0.173 56.230 56.100 -0.071 0.000 1.075 703 R CB -0.439 29.836 30.300 -0.041 0.000 1.040 703 R HN 0.221 nan 8.270 nan 0.000 0.526 704 L N 0.455 121.446 121.223 -0.386 0.000 2.027 704 L HA 0.051 4.392 4.340 0.001 0.000 0.206 704 L C 1.357 177.722 176.870 -0.842 0.000 1.074 704 L CA 1.558 55.925 54.840 -0.789 0.000 0.745 704 L CB -0.149 41.057 42.059 -1.421 0.000 0.898 704 L HN 0.126 nan 8.230 nan 0.000 0.433 705 F N -0.710 119.250 119.950 0.017 0.000 2.682 705 F HA 0.398 4.926 4.527 0.002 0.000 0.308 705 F C 0.967 176.769 175.800 0.004 0.000 1.093 705 F CA -0.557 57.449 58.000 0.011 0.000 1.244 705 F CB -0.097 38.911 39.000 0.014 0.000 1.052 705 F HN -0.157 nan 8.300 nan 0.000 0.573 706 A N 0.606 123.472 122.820 0.078 0.000 2.304 706 A HA 0.506 4.827 4.320 0.001 0.000 0.301 706 A C 0.558 178.151 177.584 0.015 0.000 1.132 706 A CA -0.417 51.648 52.037 0.046 0.000 0.819 706 A CB 0.365 19.373 19.000 0.013 0.000 1.094 706 A HN 0.196 nan 8.150 nan 0.000 0.492 707 S N 0.950 116.657 115.700 0.011 0.000 2.563 707 S HA -0.023 4.448 4.470 0.001 0.000 0.284 707 S C 0.614 175.207 174.600 -0.012 0.000 1.331 707 S CA 0.371 58.573 58.200 0.002 0.000 1.047 707 S CB 0.147 63.347 63.200 0.001 0.000 0.859 707 S HN 0.632 nan 8.310 nan 0.000 0.514 708 D N 2.968 123.361 120.400 -0.011 0.000 2.309 708 D HA -0.145 4.496 4.640 0.001 0.000 0.212 708 D C 1.813 178.103 176.300 -0.016 0.000 0.968 708 D CA 0.711 54.702 54.000 -0.015 0.000 0.882 708 D CB -0.102 40.691 40.800 -0.012 0.000 0.918 708 D HN 0.675 nan 8.370 nan 0.000 0.503 709 R N 1.439 121.930 120.500 -0.016 0.000 2.100 709 R HA -0.057 4.284 4.340 0.001 0.000 0.220 709 R C 2.064 178.347 176.300 -0.029 0.000 1.091 709 R CA 0.641 56.730 56.100 -0.018 0.000 0.986 709 R CB -0.032 30.260 30.300 -0.014 0.000 0.888 709 R HN 0.000 nan 8.270 nan 0.000 0.444 710 V N 1.724 121.617 119.914 -0.036 0.000 2.346 710 V HA -0.150 3.971 4.120 0.001 0.000 0.244 710 V C 2.305 178.349 176.094 -0.084 0.000 1.037 710 V CA 1.418 63.682 62.300 -0.060 0.000 1.029 710 V CB -0.371 31.417 31.823 -0.059 0.000 0.663 710 V HN 0.267 nan 8.190 nan 0.000 0.454 711 I N 0.684 121.217 120.570 -0.062 0.000 3.164 711 I HA -0.124 4.047 4.170 0.001 0.000 0.278 711 I C 2.130 178.228 176.117 -0.031 0.000 1.320 711 I CA 1.072 62.341 61.300 -0.052 0.000 1.422 711 I CB -0.571 37.414 38.000 -0.024 0.000 1.066 711 I HN 0.295 nan 8.210 nan 0.000 0.503 712 A N 0.202 123.001 122.820 -0.035 0.000 1.970 712 A HA 0.126 4.447 4.320 0.001 0.000 0.204 712 A C 2.240 179.805 177.584 -0.031 0.000 1.325 712 A CA -0.005 52.020 52.037 -0.021 0.000 0.767 712 A CB -0.159 18.831 19.000 -0.017 0.000 0.949 712 A HN 0.128 nan 8.150 nan 0.000 0.481 713 M N 0.149 119.721 119.600 -0.046 0.000 2.117 713 M HA -0.044 4.437 4.480 0.001 0.000 0.262 713 M C 2.108 178.363 176.300 -0.075 0.000 1.065 713 M CA 1.337 56.605 55.300 -0.055 0.000 1.114 713 M CB -1.126 31.445 32.600 -0.049 0.000 1.361 713 M HN 0.427 nan 8.290 nan 0.000 0.408 714 L N -0.049 121.114 121.223 -0.100 0.000 1.990 714 L HA -0.300 4.041 4.340 0.001 0.000 0.213 714 L C 1.909 178.798 176.870 0.031 0.000 1.072 714 L CA 1.693 56.459 54.840 -0.124 0.000 0.755 714 L CB -0.732 41.072 42.059 -0.426 0.000 0.889 714 L HN 0.268 nan 8.230 nan 0.000 0.432 715 D N -0.593 119.838 120.400 0.051 0.000 2.084 715 D HA -0.160 4.481 4.640 0.001 0.000 0.194 715 D C 2.284 178.600 176.300 0.027 0.000 0.990 715 D CA 1.093 55.160 54.000 0.112 0.000 0.826 715 D CB -0.145 40.711 40.800 0.093 0.000 0.971 715 D HN 0.127 nan 8.370 nan 0.000 0.453 716 R N -0.135 120.352 120.500 -0.021 0.000 2.139 716 R HA -0.115 4.226 4.340 0.001 0.000 0.243 716 R C 2.192 178.419 176.300 -0.121 0.000 1.145 716 R CA 0.817 56.885 56.100 -0.054 0.000 0.976 716 R CB -0.346 29.923 30.300 -0.053 0.000 0.866 716 R HN 0.252 nan 8.270 nan 0.000 0.449 717 M N 0.341 119.822 119.600 -0.199 0.000 2.530 717 M HA -0.069 4.411 4.480 0.001 0.000 0.261 717 M C 0.420 176.416 176.300 -0.507 0.000 1.067 717 M CA 1.271 56.313 55.300 -0.429 0.000 1.071 717 M CB 0.040 32.220 32.600 -0.699 0.000 1.405 717 M HN 0.357 nan 8.290 nan 0.000 0.478 718 G N 1.415 110.060 108.800 -0.259 0.000 2.372 718 G HA2 -0.285 3.676 3.960 0.001 0.000 0.290 718 G HA3 -0.285 3.676 3.960 0.001 0.000 0.290 718 G C -0.285 174.537 174.900 -0.131 0.000 0.965 718 G CA -0.191 44.828 45.100 -0.136 0.000 1.263 718 G HN 0.493 nan 8.290 nan 0.000 0.498 719 F N 0.174 120.164 119.950 0.066 0.000 2.410 719 F HA 0.184 4.712 4.527 0.001 0.000 0.334 719 F C 1.262 177.078 175.800 0.028 0.000 1.134 719 F CA -0.552 57.478 58.000 0.051 0.000 1.227 719 F CB 0.690 39.739 39.000 0.081 0.000 1.194 719 F HN 0.186 nan 8.300 nan 0.000 0.571 720 D N 3.463 124.025 120.400 0.270 0.000 2.359 720 D HA -0.060 4.581 4.640 0.001 0.000 0.273 720 D C 0.838 177.210 176.300 0.120 0.000 1.362 720 D CA 0.288 54.378 54.000 0.150 0.000 1.010 720 D CB 0.346 41.223 40.800 0.128 0.000 1.090 720 D HN 0.521 nan 8.370 nan 0.000 0.521 721 D N 1.366 121.826 120.400 0.100 0.000 2.248 721 D HA -0.318 4.323 4.640 0.001 0.000 0.191 721 D C 1.644 177.999 176.300 0.091 0.000 1.013 721 D CA 2.060 56.106 54.000 0.078 0.000 0.883 721 D CB -0.314 40.523 40.800 0.061 0.000 0.915 721 D HN 0.376 nan 8.370 nan 0.000 0.448 722 S N -0.628 115.127 115.700 0.092 0.000 2.427 722 S HA -0.002 4.469 4.470 0.001 0.000 0.224 722 S C 0.833 175.568 174.600 0.225 0.000 1.047 722 S CA -0.269 57.996 58.200 0.107 0.000 0.953 722 S CB -0.085 63.133 63.200 0.030 0.000 0.824 722 S HN 0.259 nan 8.310 nan 0.000 0.502 723 E N 2.054 122.357 120.200 0.172 0.000 2.314 723 E HA 0.377 4.728 4.350 0.001 0.000 0.262 723 E C -2.576 174.024 176.600 -0.001 0.000 1.093 723 E CA -2.469 54.030 56.400 0.166 0.000 0.908 723 E CB 0.257 30.010 29.700 0.088 0.000 1.091 723 E HN 0.259 nan 8.360 nan 0.000 0.425 724 P HA -0.050 nan 4.420 nan 0.000 0.267 724 P C -0.721 176.374 177.300 -0.342 0.000 1.195 724 P CA 0.792 63.561 63.100 -0.553 0.000 0.773 724 P CB 0.383 31.862 31.700 -0.369 0.000 0.837 725 I N 1.968 122.294 120.570 -0.407 0.000 2.433 725 I HA 0.289 4.460 4.170 0.001 0.000 0.292 725 I C 0.275 176.253 176.117 -0.232 0.000 1.001 725 I CA -0.254 60.834 61.300 -0.353 0.000 1.119 725 I CB 1.648 39.294 38.000 -0.590 0.000 1.289 725 I HN 0.211 nan 8.210 nan 0.000 0.438 726 E N 5.460 125.592 120.200 -0.113 0.000 2.460 726 E HA 0.389 4.740 4.350 0.001 0.000 0.249 726 E C -1.329 175.333 176.600 0.103 0.000 0.962 726 E CA -0.643 55.744 56.400 -0.023 0.000 0.787 726 E CB 1.823 31.511 29.700 -0.019 0.000 1.341 726 E HN 0.531 nan 8.360 nan 0.000 0.407 727 H N 1.789 120.851 119.070 -0.013 0.000 3.029 727 H HA 0.194 4.751 4.556 0.002 0.000 0.358 727 H C -2.328 173.034 175.328 0.056 0.000 1.129 727 H CA -1.725 54.370 56.048 0.077 0.000 1.230 727 H CB 2.077 31.975 29.762 0.227 0.000 1.827 727 H HN 0.130 nan 8.280 nan 0.000 0.530 728 P HA -0.248 nan 4.420 nan 0.000 0.214 728 P C 1.852 179.240 177.300 0.147 0.000 1.163 728 P CA 1.208 64.320 63.100 0.021 0.000 0.889 728 P CB 0.157 31.810 31.700 -0.078 0.000 0.790 729 M N -0.525 119.282 119.600 0.344 0.000 2.195 729 M HA -0.139 4.342 4.480 0.001 0.000 0.260 729 M C 1.662 178.057 176.300 0.158 0.000 1.066 729 M CA 1.849 57.307 55.300 0.264 0.000 1.089 729 M CB -0.797 31.995 32.600 0.321 0.000 1.377 729 M HN -0.196 nan 8.290 nan 0.000 0.411 730 V N -0.103 119.931 119.914 0.201 0.000 2.239 730 V HA -0.233 3.888 4.120 0.001 0.000 0.242 730 V C 2.584 178.700 176.094 0.037 0.000 1.038 730 V CA 2.290 64.625 62.300 0.058 0.000 1.002 730 V CB -1.363 30.486 31.823 0.042 0.000 0.641 730 V HN 0.636 nan 8.190 nan 0.000 0.449 731 T N -0.822 113.762 114.554 0.051 0.000 2.849 731 T HA -0.251 4.100 4.350 0.001 0.000 0.270 731 T C 1.948 176.656 174.700 0.014 0.000 1.066 731 T CA 1.630 63.744 62.100 0.023 0.000 1.130 731 T CB -0.322 68.555 68.868 0.014 0.000 0.864 731 T HN 0.388 nan 8.240 nan 0.000 0.481 732 R N 0.997 121.511 120.500 0.024 0.000 2.061 732 R HA -0.047 4.294 4.340 0.001 0.000 0.230 732 R C 3.178 179.479 176.300 0.002 0.000 1.140 732 R CA 1.882 57.989 56.100 0.012 0.000 0.940 732 R CB -0.497 29.816 30.300 0.021 0.000 0.839 732 R HN 0.675 nan 8.270 nan 0.000 0.429 733 S N 0.640 116.339 115.700 -0.003 0.000 2.400 733 S HA -0.140 4.331 4.470 0.001 0.000 0.232 733 S C 2.027 176.620 174.600 -0.012 0.000 1.025 733 S CA 1.026 59.214 58.200 -0.020 0.000 0.993 733 S CB -0.495 62.670 63.200 -0.058 0.000 0.808 733 S HN 0.212 nan 8.310 nan 0.000 0.478 734 I N 1.905 122.473 120.570 -0.004 0.000 2.110 734 I HA -0.140 4.031 4.170 0.001 0.000 0.236 734 I C 2.890 179.008 176.117 0.003 0.000 1.068 734 I CA 1.483 62.790 61.300 0.013 0.000 1.333 734 I CB -0.434 37.581 38.000 0.024 0.000 1.054 734 I HN 0.209 nan 8.210 nan 0.000 0.402 735 E N 0.847 121.042 120.200 -0.009 0.000 2.187 735 E HA -0.246 4.105 4.350 0.001 0.000 0.199 735 E C 2.228 178.816 176.600 -0.021 0.000 1.004 735 E CA 1.326 57.712 56.400 -0.023 0.000 0.813 735 E CB -0.314 29.370 29.700 -0.026 0.000 0.736 735 E HN 0.486 nan 8.360 nan 0.000 0.468 736 R N -0.169 120.324 120.500 -0.012 0.000 2.119 736 R HA 0.090 4.431 4.340 0.001 0.000 0.222 736 R C 2.291 178.592 176.300 0.003 0.000 1.088 736 R CA 0.816 56.911 56.100 -0.010 0.000 0.984 736 R CB -0.119 30.177 30.300 -0.007 0.000 0.884 736 R HN 0.087 nan 8.270 nan 0.000 0.447 737 A N 1.120 123.952 122.820 0.019 0.000 1.898 737 A HA -0.231 4.090 4.320 0.001 0.000 0.216 737 A C 2.078 179.689 177.584 0.046 0.000 1.181 737 A CA 1.267 53.337 52.037 0.055 0.000 0.620 737 A CB -0.450 18.598 19.000 0.079 0.000 0.819 737 A HN 0.312 nan 8.150 nan 0.000 0.442 738 Q N -0.212 119.598 119.800 0.017 0.000 2.181 738 Q HA -0.220 4.121 4.340 0.001 0.000 0.205 738 Q C 2.033 178.002 176.000 -0.051 0.000 0.980 738 Q CA 2.088 57.879 55.803 -0.020 0.000 0.862 738 Q CB -0.147 28.571 28.738 -0.033 0.000 0.905 738 Q HN 0.684 nan 8.270 nan 0.000 0.429 739 K N -0.443 119.932 120.400 -0.041 0.000 2.103 739 K HA -0.089 4.231 4.320 0.001 0.000 0.204 739 K C 2.099 178.669 176.600 -0.050 0.000 1.052 739 K CA 0.563 56.817 56.287 -0.055 0.000 0.945 739 K CB 0.123 32.592 32.500 -0.052 0.000 0.722 739 K HN 0.104 nan 8.250 nan 0.000 0.443 740 R N 0.545 121.033 120.500 -0.021 0.000 2.083 740 R HA -0.131 4.209 4.340 0.001 0.000 0.237 740 R C 2.269 178.548 176.300 -0.034 0.000 1.137 740 R CA 1.593 57.693 56.100 0.000 0.000 0.951 740 R CB -0.864 29.469 30.300 0.054 0.000 0.851 740 R HN 0.143 nan 8.270 nan 0.000 0.434 741 V N 1.108 120.958 119.914 -0.107 0.000 2.261 741 V HA -0.239 3.882 4.120 0.001 0.000 0.246 741 V C 2.242 178.218 176.094 -0.196 0.000 1.047 741 V CA 1.864 63.982 62.300 -0.303 0.000 1.015 741 V CB -0.670 30.813 31.823 -0.567 0.000 0.642 741 V HN 0.327 nan 8.190 nan 0.000 0.446 742 E N 0.494 120.610 120.200 -0.141 0.000 2.048 742 E HA -0.299 4.052 4.350 0.001 0.000 0.202 742 E C 2.004 178.583 176.600 -0.035 0.000 1.021 742 E CA 2.007 58.353 56.400 -0.090 0.000 0.825 742 E CB -0.317 29.328 29.700 -0.092 0.000 0.756 742 E HN 0.655 nan 8.360 nan 0.000 0.454 743 D N -0.352 120.025 120.400 -0.039 0.000 2.123 743 D HA -0.178 4.463 4.640 0.001 0.000 0.196 743 D C 1.857 178.209 176.300 0.087 0.000 0.992 743 D CA 0.993 55.002 54.000 0.014 0.000 0.833 743 D CB -0.225 40.562 40.800 -0.022 0.000 0.954 743 D HN 0.078 nan 8.370 nan 0.000 0.455 744 R N 0.590 121.105 120.500 0.024 0.000 2.070 744 R HA -0.116 4.225 4.340 0.001 0.000 0.233 744 R C 1.756 178.072 176.300 0.025 0.000 1.137 744 R CA 1.366 57.482 56.100 0.026 0.000 0.945 744 R CB -0.056 30.248 30.300 0.007 0.000 0.845 744 R HN 0.118 nan 8.270 nan 0.000 0.430 745 N N 0.254 118.952 118.700 -0.003 0.000 2.149 745 N HA -0.209 4.531 4.740 0.001 0.000 0.188 745 N C 1.626 177.154 175.510 0.031 0.000 1.019 745 N CA 1.354 54.403 53.050 -0.002 0.000 0.857 745 N CB -0.469 38.002 38.487 -0.027 0.000 0.997 745 N HN 0.201 nan 8.380 nan 0.000 0.426 746 F N 2.057 121.963 119.950 -0.073 0.000 2.065 746 F HA -0.211 4.317 4.527 0.001 0.000 0.298 746 F C 2.332 178.092 175.800 -0.066 0.000 1.112 746 F CA 1.660 59.615 58.000 -0.074 0.000 1.212 746 F CB -0.578 38.370 39.000 -0.086 0.000 0.975 746 F HN 0.040 nan 8.300 nan 0.000 0.476 747 A N 0.821 123.617 122.820 -0.040 0.000 1.883 747 A HA -0.192 4.129 4.320 0.001 0.000 0.217 747 A C 2.318 179.795 177.584 -0.179 0.000 1.186 747 A CA 2.096 54.046 52.037 -0.145 0.000 0.624 747 A CB -1.400 17.594 19.000 -0.009 0.000 0.822 747 A HN 0.525 nan 8.150 nan 0.000 0.444 748 I N -0.101 120.413 120.570 -0.093 0.000 2.315 748 I HA -0.333 3.838 4.170 0.001 0.000 0.251 748 I C 2.702 178.765 176.117 -0.090 0.000 1.125 748 I CA 1.990 63.252 61.300 -0.064 0.000 1.392 748 I CB -0.267 37.721 38.000 -0.021 0.000 1.065 748 I HN 0.550 nan 8.210 nan 0.000 0.424 749 R N 1.071 121.479 120.500 -0.153 0.000 2.189 749 R HA -0.042 4.299 4.340 0.001 0.000 0.203 749 R C 2.168 178.327 176.300 -0.235 0.000 1.012 749 R CA 0.479 56.493 56.100 -0.143 0.000 1.015 749 R CB -0.367 29.869 30.300 -0.107 0.000 0.938 749 R HN 0.181 nan 8.270 nan 0.000 0.472 750 K N 1.367 121.520 120.400 -0.412 0.000 2.057 750 K HA -0.220 4.101 4.320 0.001 0.000 0.207 750 K C 2.037 178.443 176.600 -0.323 0.000 1.049 750 K CA 1.866 57.881 56.287 -0.454 0.000 0.931 750 K CB -0.017 32.114 32.500 -0.616 0.000 0.714 750 K HN 0.384 nan 8.250 nan 0.000 0.440 751 Q N 0.496 120.133 119.800 -0.272 0.000 2.172 751 Q HA -0.131 4.209 4.340 0.001 0.000 0.200 751 Q C 2.169 178.086 176.000 -0.138 0.000 0.964 751 Q CA 0.704 56.336 55.803 -0.286 0.000 0.855 751 Q CB 0.018 28.642 28.738 -0.189 0.000 0.918 751 Q HN 0.285 nan 8.270 nan 0.000 0.444 752 L N 0.608 121.814 121.223 -0.027 0.000 2.046 752 L HA -0.141 4.200 4.340 0.001 0.000 0.208 752 L C 1.996 178.908 176.870 0.069 0.000 1.077 752 L CA 1.570 56.459 54.840 0.082 0.000 0.747 752 L CB -0.484 41.605 42.059 0.050 0.000 0.896 752 L HN 0.336 nan 8.230 nan 0.000 0.432 753 L N -1.163 120.046 121.223 -0.023 0.000 2.217 753 L HA -0.179 4.162 4.340 0.001 0.000 0.211 753 L C 2.503 179.349 176.870 -0.039 0.000 1.107 753 L CA 1.152 55.983 54.840 -0.015 0.000 0.783 753 L CB -0.064 41.956 42.059 -0.066 0.000 0.919 753 L HN 0.500 nan 8.230 nan 0.000 0.442 754 Q N -0.619 119.072 119.800 -0.182 0.000 2.020 754 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 754 Q C 2.013 177.971 176.000 -0.072 0.000 0.982 754 Q CA 2.064 57.656 55.803 -0.351 0.000 0.838 754 Q CB -0.115 28.123 28.738 -0.834 0.000 0.899 754 Q HN 0.331 nan 8.270 nan 0.000 0.423 755 F N 1.177 121.165 119.950 0.064 0.000 2.000 755 F HA -0.189 4.339 4.527 0.001 0.000 0.295 755 F C 2.037 177.968 175.800 0.218 0.000 1.159 755 F CA 1.482 59.633 58.000 0.252 0.000 1.171 755 F CB -0.676 38.339 39.000 0.025 0.000 0.971 755 F HN 0.139 nan 8.300 nan 0.000 0.479 756 D N 0.046 120.648 120.400 0.336 0.000 2.400 756 D HA -0.134 4.507 4.640 0.001 0.000 0.242 756 D C 1.049 177.456 176.300 0.179 0.000 1.077 756 D CA 0.509 54.639 54.000 0.217 0.000 0.943 756 D CB -0.239 40.649 40.800 0.147 0.000 0.882 756 D HN 0.273 nan 8.370 nan 0.000 0.529 757 D N -1.055 119.465 120.400 0.201 0.000 2.259 757 D HA -0.061 4.580 4.640 0.001 0.000 0.216 757 D C 2.286 178.684 176.300 0.163 0.000 0.961 757 D CA 0.190 54.281 54.000 0.152 0.000 0.878 757 D CB 0.313 41.191 40.800 0.131 0.000 1.009 757 D HN 0.010 nan 8.370 nan 0.000 0.490 758 V N 1.524 121.585 119.914 0.244 0.000 2.231 758 V HA -0.240 3.880 4.120 0.001 0.000 0.248 758 V C 2.590 178.751 176.094 0.112 0.000 1.054 758 V CA 1.151 63.569 62.300 0.196 0.000 1.015 758 V CB -0.392 31.618 31.823 0.311 0.000 0.638 758 V HN 0.307 nan 8.190 nan 0.000 0.444 759 L N -0.128 121.187 121.223 0.154 0.000 2.127 759 L HA -0.169 4.172 4.340 0.001 0.000 0.211 759 L C 2.667 179.570 176.870 0.056 0.000 1.089 759 L CA 2.213 57.114 54.840 0.102 0.000 0.757 759 L CB -1.342 40.788 42.059 0.119 0.000 0.899 759 L HN 0.488 nan 8.230 nan 0.000 0.434 760 S N -0.094 115.648 115.700 0.069 0.000 2.359 760 S HA -0.263 4.207 4.470 0.001 0.000 0.222 760 S C 2.010 176.612 174.600 0.004 0.000 1.038 760 S CA 1.816 60.049 58.200 0.054 0.000 1.051 760 S CB -0.002 63.246 63.200 0.080 0.000 0.944 760 S HN 0.397 nan 8.310 nan 0.000 0.433 761 R N 0.840 121.330 120.500 -0.017 0.000 2.105 761 R HA -0.035 4.306 4.340 0.001 0.000 0.239 761 R C 2.531 178.711 176.300 -0.201 0.000 1.135 761 R CA 1.626 57.686 56.100 -0.066 0.000 0.967 761 R CB -0.632 29.632 30.300 -0.060 0.000 0.861 761 R HN 0.485 nan 8.270 nan 0.000 0.442 762 Q N 0.222 119.857 119.800 -0.275 0.000 2.046 762 Q HA -0.040 4.301 4.340 0.001 0.000 0.200 762 Q C 1.967 177.795 176.000 -0.286 0.000 0.975 762 Q CA 1.580 57.078 55.803 -0.508 0.000 0.836 762 Q CB 0.130 28.712 28.738 -0.259 0.000 0.896 762 Q HN 0.269 nan 8.270 nan 0.000 0.428 763 R N -0.014 120.394 120.500 -0.152 0.000 2.066 763 R HA -0.147 4.194 4.340 0.001 0.000 0.232 763 R C 2.237 178.353 176.300 -0.307 0.000 1.131 763 R CA 1.345 57.211 56.100 -0.388 0.000 0.955 763 R CB -0.393 29.677 30.300 -0.383 0.000 0.851 763 R HN 0.371 nan 8.270 nan 0.000 0.432 764 E N 0.912 121.059 120.200 -0.088 0.000 2.132 764 E HA -0.296 4.055 4.350 0.001 0.000 0.218 764 E C 1.777 178.395 176.600 0.030 0.000 1.058 764 E CA 2.545 58.967 56.400 0.035 0.000 0.882 764 E CB -0.061 29.657 29.700 0.031 0.000 0.774 764 E HN 0.130 nan 8.360 nan 0.000 0.467 765 V N 1.337 121.244 119.914 -0.012 0.000 2.216 765 V HA -0.289 3.832 4.120 0.001 0.000 0.242 765 V C 2.557 178.648 176.094 -0.005 0.000 1.042 765 V CA 2.178 64.504 62.300 0.043 0.000 0.991 765 V CB -0.617 31.323 31.823 0.194 0.000 0.633 765 V HN 0.390 nan 8.190 nan 0.000 0.449 766 I N -1.126 119.384 120.570 -0.099 0.000 2.399 766 I HA -0.343 3.828 4.170 0.001 0.000 0.254 766 I C 2.394 178.431 176.117 -0.134 0.000 1.146 766 I CA 2.078 63.229 61.300 -0.249 0.000 1.412 766 I CB -0.490 37.096 38.000 -0.689 0.000 1.076 766 I HN 0.409 nan 8.210 nan 0.000 0.432 767 Y N 0.531 120.657 120.300 -0.291 0.000 2.184 767 Y HA -0.207 4.344 4.550 0.001 0.000 0.290 767 Y C 2.758 178.563 175.900 -0.158 0.000 1.129 767 Y CA 0.593 58.559 58.100 -0.223 0.000 1.144 767 Y CB -0.080 38.286 38.460 -0.157 0.000 0.995 767 Y HN 0.149 nan 8.280 nan 0.000 0.513 768 A N -0.238 122.621 122.820 0.066 0.000 1.968 768 A HA -0.221 4.100 4.320 0.001 0.000 0.217 768 A C 2.026 179.601 177.584 -0.014 0.000 1.169 768 A CA 1.356 53.400 52.037 0.012 0.000 0.638 768 A CB -0.675 18.348 19.000 0.038 0.000 0.812 768 A HN 0.505 nan 8.150 nan 0.000 0.446 769 Q N -0.515 119.275 119.800 -0.017 0.000 2.291 769 Q HA -0.162 4.179 4.340 0.001 0.000 0.205 769 Q C 2.150 178.123 176.000 -0.045 0.000 0.970 769 Q CA 1.440 57.226 55.803 -0.028 0.000 0.876 769 Q CB -0.066 28.652 28.738 -0.034 0.000 0.935 769 Q HN 0.691 nan 8.270 nan 0.000 0.455 770 R N -0.397 120.067 120.500 -0.060 0.000 2.127 770 R HA 0.017 4.358 4.340 0.001 0.000 0.217 770 R C 2.083 178.337 176.300 -0.076 0.000 1.074 770 R CA 0.676 56.730 56.100 -0.075 0.000 0.991 770 R CB 0.197 30.436 30.300 -0.103 0.000 0.895 770 R HN 0.123 nan 8.270 nan 0.000 0.450 771 R N 0.039 120.491 120.500 -0.080 0.000 2.119 771 R HA -0.045 4.296 4.340 0.001 0.000 0.222 771 R C 2.178 178.456 176.300 -0.037 0.000 1.088 771 R CA 0.792 56.847 56.100 -0.075 0.000 0.984 771 R CB -0.284 29.960 30.300 -0.093 0.000 0.884 771 R HN 0.161 nan 8.270 nan 0.000 0.447 772 L N 1.235 122.441 121.223 -0.028 0.000 2.079 772 L HA -0.142 4.199 4.340 0.001 0.000 0.210 772 L C 1.800 178.660 176.870 -0.017 0.000 1.081 772 L CA 1.749 56.579 54.840 -0.016 0.000 0.752 772 L CB -0.186 41.864 42.059 -0.015 0.000 0.896 772 L HN 0.114 nan 8.230 nan 0.000 0.433 773 I N -1.403 119.152 120.570 -0.025 0.000 2.617 773 I HA -0.215 3.956 4.170 0.001 0.000 0.256 773 I C 2.173 178.281 176.117 -0.015 0.000 1.167 773 I CA 0.717 62.004 61.300 -0.023 0.000 1.469 773 I CB -0.075 37.907 38.000 -0.031 0.000 1.098 773 I HN 0.278 nan 8.210 nan 0.000 0.436 774 L N -0.156 121.057 121.223 -0.017 0.000 2.307 774 L HA -0.027 4.313 4.340 0.001 0.000 0.211 774 L C 2.303 179.188 176.870 0.024 0.000 1.099 774 L CA 0.558 55.395 54.840 -0.005 0.000 0.816 774 L CB 0.085 42.128 42.059 -0.028 0.000 0.952 774 L HN 0.263 nan 8.230 nan 0.000 0.455 775 L N 0.300 121.541 121.223 0.031 0.000 2.275 775 L HA -0.049 4.292 4.340 0.001 0.000 0.215 775 L C 1.217 178.104 176.870 0.028 0.000 1.119 775 L CA 0.974 55.856 54.840 0.071 0.000 0.790 775 L CB -0.375 41.717 42.059 0.054 0.000 0.919 775 L HN 0.441 nan 8.230 nan 0.000 0.443 776 G N 0.575 109.381 108.800 0.009 0.000 2.272 776 G HA2 -0.350 3.611 3.960 0.001 0.000 0.280 776 G HA3 -0.350 3.611 3.960 0.001 0.000 0.280 776 G C 0.138 175.030 174.900 -0.013 0.000 1.067 776 G CA 0.527 45.625 45.100 -0.004 0.000 0.902 776 G HN 0.304 nan 8.290 nan 0.000 0.500 777 K N 0.955 121.347 120.400 -0.013 0.000 2.127 777 K HA 0.322 4.643 4.320 0.001 0.000 0.261 777 K C 1.478 178.067 176.600 -0.019 0.000 1.129 777 K CA -0.001 56.276 56.287 -0.017 0.000 0.993 777 K CB 0.076 32.567 32.500 -0.015 0.000 1.410 777 K HN 0.228 nan 8.250 nan 0.000 0.380 778 D N 1.995 122.382 120.400 -0.022 0.000 2.192 778 D HA -0.294 4.347 4.640 0.001 0.000 0.189 778 D C 1.368 177.653 176.300 -0.025 0.000 1.007 778 D CA 1.592 55.577 54.000 -0.026 0.000 0.859 778 D CB 0.128 40.912 40.800 -0.025 0.000 0.936 778 D HN 0.688 nan 8.370 nan 0.000 0.447 779 E N 1.319 121.507 120.200 -0.020 0.000 2.049 779 E HA -0.226 4.125 4.350 0.001 0.000 0.198 779 E C 1.766 178.356 176.600 -0.016 0.000 1.007 779 E CA 1.706 58.097 56.400 -0.016 0.000 0.809 779 E CB -0.248 29.445 29.700 -0.013 0.000 0.749 779 E HN 0.391 nan 8.360 nan 0.000 0.450 780 E N -0.554 119.637 120.200 -0.015 0.000 2.347 780 E HA -0.065 4.286 4.350 0.001 0.000 0.196 780 E C 2.031 178.620 176.600 -0.018 0.000 1.008 780 E CA 0.772 57.163 56.400 -0.013 0.000 0.852 780 E CB 0.254 29.948 29.700 -0.011 0.000 0.783 780 E HN 0.183 nan 8.360 nan 0.000 0.505 781 V N 0.991 120.890 119.914 -0.024 0.000 2.302 781 V HA -0.171 3.949 4.120 0.001 0.000 0.243 781 V C 2.082 178.151 176.094 -0.042 0.000 1.036 781 V CA 1.437 63.718 62.300 -0.032 0.000 1.020 781 V CB -0.241 31.561 31.823 -0.036 0.000 0.657 781 V HN 0.028 nan 8.190 nan 0.000 0.453 782 K N 0.180 120.552 120.400 -0.046 0.000 2.026 782 K HA -0.125 4.196 4.320 0.001 0.000 0.208 782 K C 2.198 178.780 176.600 -0.029 0.000 1.048 782 K CA 1.213 57.465 56.287 -0.058 0.000 0.929 782 K CB -0.361 32.106 32.500 -0.056 0.000 0.713 782 K HN 0.375 nan 8.250 nan 0.000 0.439 783 E N 0.154 120.344 120.200 -0.015 0.000 2.033 783 E HA -0.246 4.104 4.350 0.001 0.000 0.199 783 E C 2.043 178.644 176.600 0.002 0.000 1.011 783 E CA 1.666 58.066 56.400 -0.001 0.000 0.815 783 E CB -0.565 29.134 29.700 -0.001 0.000 0.755 783 E HN 0.340 nan 8.360 nan 0.000 0.451 784 A N 1.504 124.320 122.820 -0.007 0.000 1.908 784 A HA -0.147 4.174 4.320 0.001 0.000 0.218 784 A C 2.448 180.027 177.584 -0.008 0.000 1.181 784 A CA 2.482 54.514 52.037 -0.009 0.000 0.627 784 A CB -0.678 18.312 19.000 -0.016 0.000 0.818 784 A HN 0.297 nan 8.150 nan 0.000 0.445 785 A N -0.049 122.762 122.820 -0.014 0.000 1.902 785 A HA -0.103 4.218 4.320 0.001 0.000 0.217 785 A C 2.107 179.728 177.584 0.062 0.000 1.181 785 A CA 1.586 53.617 52.037 -0.008 0.000 0.623 785 A CB -0.630 18.330 19.000 -0.067 0.000 0.818 785 A HN 0.523 nan 8.150 nan 0.000 0.443 786 I N -0.248 120.372 120.570 0.084 0.000 2.286 786 I HA -0.180 3.991 4.170 0.001 0.000 0.248 786 I C 2.662 178.813 176.117 0.056 0.000 1.115 786 I CA 1.004 62.388 61.300 0.140 0.000 1.392 786 I CB -0.666 37.403 38.000 0.113 0.000 1.065 786 I HN 0.383 nan 8.210 nan 0.000 0.418 787 G N 0.728 109.545 108.800 0.028 0.000 2.450 787 G HA2 -0.244 3.717 3.960 0.001 0.000 0.220 787 G HA3 -0.244 3.717 3.960 0.001 0.000 0.220 787 G C 1.729 176.624 174.900 -0.008 0.000 1.130 787 G CA 0.616 45.721 45.100 0.007 0.000 0.760 787 G HN 0.274 nan 8.290 nan 0.000 0.557 788 M N -0.006 119.586 119.600 -0.012 0.000 2.349 788 M HA 0.020 4.501 4.480 0.001 0.000 0.266 788 M C 2.540 178.811 176.300 -0.049 0.000 1.076 788 M CA 0.543 55.823 55.300 -0.034 0.000 1.126 788 M CB 0.116 32.691 32.600 -0.040 0.000 1.392 788 M HN 0.125 nan 8.290 nan 0.000 0.440 789 V N 0.099 119.980 119.914 -0.054 0.000 2.453 789 V HA -0.198 3.923 4.120 0.001 0.000 0.247 789 V C 1.950 178.013 176.094 -0.052 0.000 1.048 789 V CA 1.590 63.829 62.300 -0.103 0.000 1.049 789 V CB -0.815 30.878 31.823 -0.218 0.000 0.672 789 V HN 0.454 nan 8.190 nan 0.000 0.457 790 E N 0.512 120.694 120.200 -0.030 0.000 2.033 790 E HA -0.281 4.070 4.350 0.001 0.000 0.199 790 E C 2.286 178.875 176.600 -0.019 0.000 1.011 790 E CA 1.987 58.378 56.400 -0.015 0.000 0.815 790 E CB -0.184 29.513 29.700 -0.005 0.000 0.755 790 E HN 0.711 nan 8.360 nan 0.000 0.451 791 E N -0.031 120.153 120.200 -0.025 0.000 2.072 791 E HA -0.130 4.221 4.350 0.001 0.000 0.191 791 E C 2.206 178.782 176.600 -0.039 0.000 0.985 791 E CA 1.420 57.801 56.400 -0.031 0.000 0.801 791 E CB -0.105 29.574 29.700 -0.035 0.000 0.750 791 E HN 0.198 nan 8.360 nan 0.000 0.452 792 T N 1.315 115.842 114.554 -0.045 0.000 2.595 792 T HA -0.167 4.184 4.350 0.001 0.000 0.264 792 T C 2.207 176.885 174.700 -0.036 0.000 1.058 792 T CA 1.590 63.660 62.100 -0.050 0.000 1.166 792 T CB -0.514 68.320 68.868 -0.058 0.000 0.863 792 T HN -0.030 nan 8.240 nan 0.000 0.415 793 V N 2.180 122.083 119.914 -0.018 0.000 2.278 793 V HA -0.258 3.863 4.120 0.001 0.000 0.251 793 V C 2.857 178.948 176.094 -0.005 0.000 1.062 793 V CA 1.870 64.169 62.300 -0.001 0.000 1.038 793 V CB -1.554 30.277 31.823 0.014 0.000 0.646 793 V HN 0.600 nan 8.190 nan 0.000 0.447 794 A N 0.057 122.871 122.820 -0.011 0.000 1.849 794 A HA -0.299 4.022 4.320 0.001 0.000 0.216 794 A C 2.457 180.027 177.584 -0.023 0.000 1.225 794 A CA 2.822 54.853 52.037 -0.011 0.000 0.653 794 A CB -1.317 17.675 19.000 -0.014 0.000 0.844 794 A HN 0.492 nan 8.150 nan 0.000 0.453 795 S N -0.585 115.090 115.700 -0.042 0.000 2.420 795 S HA -0.135 4.336 4.470 0.001 0.000 0.237 795 S C 1.774 176.313 174.600 -0.103 0.000 1.023 795 S CA 1.258 59.416 58.200 -0.070 0.000 0.991 795 S CB -0.608 62.548 63.200 -0.074 0.000 0.792 795 S HN 0.477 nan 8.310 nan 0.000 0.488 796 L N 1.146 122.321 121.223 -0.079 0.000 1.937 796 L HA -0.161 4.180 4.340 0.001 0.000 0.213 796 L C 2.548 179.381 176.870 -0.061 0.000 1.077 796 L CA 1.746 56.531 54.840 -0.092 0.000 0.758 796 L CB -0.776 41.258 42.059 -0.041 0.000 0.888 796 L HN 0.327 nan 8.230 nan 0.000 0.433 797 A N -0.628 122.216 122.820 0.040 0.000 1.883 797 A HA -0.280 4.041 4.320 0.001 0.000 0.217 797 A C 2.222 179.895 177.584 0.148 0.000 1.186 797 A CA 1.840 53.969 52.037 0.153 0.000 0.624 797 A CB -0.954 18.106 19.000 0.100 0.000 0.822 797 A HN 0.650 nan 8.150 nan 0.000 0.444 798 E N 0.835 121.058 120.200 0.039 0.000 2.273 798 E HA -0.271 4.080 4.350 0.001 0.000 0.198 798 E C 1.779 178.344 176.600 -0.058 0.000 1.002 798 E CA 1.295 57.702 56.400 0.012 0.000 0.828 798 E CB -0.541 29.151 29.700 -0.014 0.000 0.747 798 E HN 0.655 nan 8.360 nan 0.000 0.491 799 N N 0.658 119.236 118.700 -0.204 0.000 2.133 799 N HA -0.235 4.506 4.740 0.001 0.000 0.193 799 N C 1.406 176.626 175.510 -0.484 0.000 1.012 799 N CA 2.016 54.792 53.050 -0.458 0.000 0.871 799 N CB -0.217 37.762 38.487 -0.847 0.000 1.011 799 N HN 0.460 nan 8.380 nan 0.000 0.435 800 F N -3.026 116.685 119.950 -0.399 0.000 2.960 800 F HA 0.369 4.897 4.527 0.001 0.000 0.345 800 F C 1.316 176.996 175.800 -0.200 0.000 1.147 800 F CA -0.648 56.965 58.000 -0.645 0.000 1.099 800 F CB -0.333 37.753 39.000 -1.524 0.000 1.219 800 F HN -0.183 nan 8.300 nan 0.000 0.525 801 L N 1.473 122.862 121.223 0.277 0.000 2.509 801 L HA 0.220 4.561 4.340 0.001 0.000 0.222 801 L C 0.378 177.320 176.870 0.120 0.000 1.123 801 L CA 0.382 55.317 54.840 0.158 0.000 0.856 801 L CB 0.065 42.202 42.059 0.130 0.000 0.985 801 L HN 0.168 nan 8.230 nan 0.000 0.456 802 N N 0.967 119.731 118.700 0.107 0.000 2.955 802 N HA 0.298 5.039 4.740 0.001 0.000 0.242 802 N C -2.758 172.818 175.510 0.110 0.000 1.123 802 N CA -1.879 51.222 53.050 0.086 0.000 0.949 802 N CB 0.828 39.344 38.487 0.048 0.000 1.214 802 N HN -0.032 nan 8.380 nan 0.000 0.504 803 P HA 0.418 nan 4.420 nan 0.000 0.287 803 P C 0.249 177.587 177.300 0.063 0.000 1.290 803 P CA -0.484 62.708 63.100 0.153 0.000 0.889 803 P CB 1.496 33.333 31.700 0.228 0.000 1.190 804 E N -0.360 119.851 120.200 0.018 0.000 2.170 804 E HA 0.026 4.377 4.350 0.001 0.000 0.191 804 E C 0.278 176.704 176.600 -0.291 0.000 0.981 804 E CA 0.717 57.066 56.400 -0.085 0.000 0.830 804 E CB -0.280 29.396 29.700 -0.040 0.000 0.775 804 E HN 0.156 nan 8.360 nan 0.000 0.470 805 V N 4.658 124.480 119.914 -0.154 0.000 2.381 805 V HA -0.028 4.093 4.120 0.001 0.000 0.257 805 V C 1.369 177.383 176.094 -0.133 0.000 1.057 805 V CA -0.249 61.945 62.300 -0.177 0.000 1.013 805 V CB -0.326 31.458 31.823 -0.065 0.000 1.069 805 V HN 0.180 nan 8.190 nan 0.000 0.484 806 H N 6.007 125.089 119.070 0.019 0.000 3.262 806 H HA -0.153 4.404 4.556 0.002 0.000 0.257 806 H C -0.626 174.702 175.328 -0.001 0.000 0.987 806 H CA 2.182 58.236 56.048 0.010 0.000 1.260 806 H CB -1.470 28.292 29.762 -0.000 0.000 1.909 806 H HN 0.436 nan 8.280 nan 0.000 1.077 807 P HA -0.051 nan 4.420 nan 0.000 0.215 807 P C 1.646 178.930 177.300 -0.025 0.000 1.157 807 P CA 1.595 64.705 63.100 0.015 0.000 0.869 807 P CB -0.067 31.616 31.700 -0.027 0.000 0.781 808 E N 0.978 121.159 120.200 -0.031 0.000 2.170 808 E HA -0.359 3.992 4.350 0.001 0.000 0.229 808 E C 0.971 177.527 176.600 -0.075 0.000 1.074 808 E CA 2.073 58.440 56.400 -0.055 0.000 0.930 808 E CB -1.823 27.844 29.700 -0.054 0.000 0.806 808 E HN 0.146 nan 8.360 nan 0.000 0.478 809 D N 1.232 121.572 120.400 -0.100 0.000 2.612 809 D HA -0.210 4.431 4.640 0.001 0.000 0.279 809 D C 0.178 176.348 176.300 -0.216 0.000 1.324 809 D CA 2.331 56.187 54.000 -0.241 0.000 1.135 809 D CB -0.460 40.190 40.800 -0.250 0.000 1.774 809 D HN 0.430 nan 8.370 nan 0.000 0.598 810 W N 0.230 121.461 121.300 -0.116 0.000 2.417 810 W HA 0.450 5.111 4.660 0.001 0.000 0.315 810 W C -0.035 176.249 176.519 -0.390 0.000 1.045 810 W CA -0.774 56.402 57.345 -0.281 0.000 1.221 810 W CB 0.649 29.855 29.460 -0.423 0.000 1.309 810 W HN 0.238 nan 8.180 nan 0.000 0.453 811 D N 1.002 121.341 120.400 -0.101 0.000 2.680 811 D HA -0.051 4.590 4.640 0.001 0.000 0.295 811 D C 1.399 177.639 176.300 -0.099 0.000 1.097 811 D CA -0.164 53.786 54.000 -0.083 0.000 0.952 811 D CB -0.463 40.400 40.800 0.104 0.000 1.491 811 D HN 0.149 nan 8.370 nan 0.000 0.486 812 L N 0.948 122.135 121.223 -0.060 0.000 2.141 812 L HA 0.027 4.368 4.340 0.001 0.000 0.209 812 L C 1.467 178.311 176.870 -0.044 0.000 1.094 812 L CA 1.814 56.633 54.840 -0.036 0.000 0.763 812 L CB -0.551 41.500 42.059 -0.013 0.000 0.908 812 L HN -0.002 nan 8.230 nan 0.000 0.437 813 E N -0.633 119.503 120.200 -0.107 0.000 2.358 813 E HA 0.018 4.369 4.350 0.001 0.000 0.195 813 E C 2.083 178.777 176.600 0.158 0.000 1.010 813 E CA 0.903 57.325 56.400 0.038 0.000 0.856 813 E CB -0.656 29.161 29.700 0.194 0.000 0.795 813 E HN 0.567 nan 8.360 nan 0.000 0.504 814 G N 0.827 109.523 108.800 -0.174 0.000 2.551 814 G HA2 0.001 3.962 3.960 0.001 0.000 0.216 814 G HA3 0.001 3.962 3.960 0.001 0.000 0.216 814 G C 1.624 176.579 174.900 0.090 0.000 1.137 814 G CA -0.032 45.139 45.100 0.119 0.000 0.798 814 G HN 0.130 nan 8.290 nan 0.000 0.536 815 L N -0.328 120.910 121.223 0.026 0.000 2.049 815 L HA 0.168 4.509 4.340 0.001 0.000 0.203 815 L C 2.657 179.540 176.870 0.021 0.000 1.074 815 L CA 1.013 55.865 54.840 0.020 0.000 0.749 815 L CB -0.203 41.858 42.059 0.004 0.000 0.907 815 L HN 0.043 nan 8.230 nan 0.000 0.439 816 K N 0.530 120.947 120.400 0.028 0.000 2.097 816 K HA -0.065 4.255 4.320 0.001 0.000 0.205 816 K C 2.032 178.645 176.600 0.021 0.000 1.050 816 K CA 1.314 57.613 56.287 0.019 0.000 0.938 816 K CB -0.260 32.256 32.500 0.027 0.000 0.718 816 K HN 0.237 nan 8.250 nan 0.000 0.442 817 A N -0.530 122.328 122.820 0.063 0.000 1.902 817 A HA -0.128 4.193 4.320 0.001 0.000 0.217 817 A C 2.124 179.718 177.584 0.016 0.000 1.181 817 A CA 2.176 54.240 52.037 0.045 0.000 0.623 817 A CB -0.872 18.186 19.000 0.097 0.000 0.818 817 A HN 0.385 nan 8.150 nan 0.000 0.443 818 T N -0.290 114.281 114.554 0.029 0.000 3.043 818 T HA 0.052 4.403 4.350 0.001 0.000 0.263 818 T C 1.575 176.260 174.700 -0.025 0.000 1.094 818 T CA 0.777 62.881 62.100 0.007 0.000 1.127 818 T CB -0.121 68.756 68.868 0.015 0.000 0.905 818 T HN 0.181 nan 8.240 nan 0.000 0.490 819 L N 0.744 121.951 121.223 -0.027 0.000 2.109 819 L HA 0.173 4.514 4.340 0.001 0.000 0.207 819 L C 2.060 178.897 176.870 -0.055 0.000 1.086 819 L CA 1.090 55.900 54.840 -0.051 0.000 0.760 819 L CB -0.834 41.201 42.059 -0.039 0.000 0.910 819 L HN 0.212 nan 8.230 nan 0.000 0.437 820 L N -0.616 120.581 121.223 -0.044 0.000 2.023 820 L HA -0.142 4.199 4.340 0.001 0.000 0.205 820 L C 1.784 178.623 176.870 -0.051 0.000 1.073 820 L CA 1.743 56.552 54.840 -0.052 0.000 0.745 820 L CB -0.659 41.361 42.059 -0.065 0.000 0.900 820 L HN 0.181 nan 8.230 nan 0.000 0.435 821 D N -0.838 119.540 120.400 -0.036 0.000 2.309 821 D HA -0.049 4.592 4.640 0.001 0.000 0.212 821 D C 0.026 176.380 176.300 0.091 0.000 0.968 821 D CA 1.034 55.030 54.000 -0.006 0.000 0.882 821 D CB -0.010 40.785 40.800 -0.009 0.000 0.918 821 D HN 0.303 nan 8.370 nan 0.000 0.503 822 T N -0.284 114.282 114.554 0.020 0.000 3.089 822 T HA 0.472 4.823 4.350 0.001 0.000 0.340 822 T C 0.973 175.546 174.700 -0.212 0.000 1.008 822 T CA -0.311 61.734 62.100 -0.091 0.000 1.096 822 T CB 1.581 70.302 68.868 -0.245 0.000 1.024 822 T HN -0.055 nan 8.240 nan 0.000 0.477 823 A N 5.214 127.938 122.820 -0.159 0.000 1.896 823 A HA -0.034 4.287 4.320 0.001 0.000 0.220 823 A C -1.034 176.438 177.584 -0.185 0.000 1.206 823 A CA 1.449 53.404 52.037 -0.138 0.000 0.647 823 A CB -1.695 17.255 19.000 -0.083 0.000 0.828 823 A HN 0.542 nan 8.150 nan 0.000 0.455 824 P HA 0.244 nan 4.420 nan 0.000 0.272 824 P C -0.283 176.903 177.300 -0.190 0.000 1.243 824 P CA 0.411 63.360 63.100 -0.250 0.000 0.803 824 P CB 0.212 31.693 31.700 -0.365 0.000 0.974 825 Q N 0.017 119.736 119.800 -0.136 0.000 2.482 825 Q HA 0.741 5.082 4.340 0.001 0.000 0.286 825 Q C -1.839 174.122 176.000 -0.064 0.000 1.007 825 Q CA -1.061 54.685 55.803 -0.095 0.000 0.801 825 Q CB 1.510 30.203 28.738 -0.075 0.000 1.455 825 Q HN 0.368 nan 8.270 nan 0.000 0.398 826 L N -1.177 120.020 121.223 -0.043 0.000 2.526 826 L HA 0.667 5.008 4.340 0.001 0.000 0.263 826 L C -1.019 175.839 176.870 -0.019 0.000 0.943 826 L CA -0.445 54.390 54.840 -0.009 0.000 0.859 826 L CB 2.336 44.409 42.059 0.024 0.000 1.313 826 L HN 0.886 nan 8.230 nan 0.000 0.406 827 Q N 0.176 119.946 119.800 -0.050 0.000 1.977 827 Q HA 0.165 4.506 4.340 0.001 0.000 0.214 827 Q C 0.368 176.297 176.000 -0.118 0.000 0.740 827 Q CA 0.173 55.936 55.803 -0.067 0.000 0.893 827 Q CB 0.910 29.601 28.738 -0.078 0.000 1.203 827 Q HN 0.870 nan 8.270 nan 0.000 0.436 828 D N -0.764 119.483 120.400 -0.255 0.000 2.338 828 D HA 0.052 4.693 4.640 0.001 0.000 0.208 828 D C 0.613 176.720 176.300 -0.321 0.000 0.997 828 D CA 0.639 54.410 54.000 -0.381 0.000 0.880 828 D CB 0.380 40.817 40.800 -0.606 0.000 0.980 828 D HN 0.196 nan 8.370 nan 0.000 0.509 829 F N 0.355 120.332 119.950 0.045 0.000 2.698 829 F HA 0.188 4.716 4.527 0.001 0.000 0.295 829 F C -0.831 175.012 175.800 0.071 0.000 1.124 829 F CA -0.577 57.456 58.000 0.056 0.000 1.426 829 F CB -1.254 37.764 39.000 0.029 0.000 1.120 829 F HN -0.025 nan 8.300 nan 0.000 0.583 830 P HA -0.207 nan 4.420 nan 0.000 0.215 830 P C 1.813 179.215 177.300 0.171 0.000 1.157 830 P CA 1.367 64.561 63.100 0.157 0.000 0.868 830 P CB -0.150 31.618 31.700 0.114 0.000 0.788 831 F N 0.477 120.441 119.950 0.025 0.000 2.115 831 F HA -0.316 4.212 4.527 0.001 0.000 0.300 831 F C 2.126 177.948 175.800 0.037 0.000 1.092 831 F CA 1.658 59.667 58.000 0.014 0.000 1.245 831 F CB -1.080 37.914 39.000 -0.010 0.000 0.995 831 F HN -0.144 nan 8.300 nan 0.000 0.481 832 A N 0.536 123.481 122.820 0.208 0.000 1.837 832 A HA -0.278 4.042 4.320 0.001 0.000 0.216 832 A C 2.206 179.806 177.584 0.026 0.000 1.210 832 A CA 2.312 54.426 52.037 0.128 0.000 0.632 832 A CB -1.226 17.896 19.000 0.203 0.000 0.843 832 A HN 0.593 nan 8.150 nan 0.000 0.448 833 E N -0.079 120.147 120.200 0.044 0.000 2.216 833 E HA -0.053 4.298 4.350 0.001 0.000 0.192 833 E C 2.022 178.609 176.600 -0.021 0.000 0.988 833 E CA 1.041 57.446 56.400 0.008 0.000 0.834 833 E CB -0.366 29.347 29.700 0.022 0.000 0.772 833 E HN 0.632 nan 8.360 nan 0.000 0.479 834 L N 0.408 121.614 121.223 -0.028 0.000 2.049 834 L HA 0.013 4.354 4.340 0.001 0.000 0.203 834 L C 2.824 179.613 176.870 -0.135 0.000 1.074 834 L CA 0.933 55.744 54.840 -0.049 0.000 0.749 834 L CB -0.330 41.722 42.059 -0.012 0.000 0.907 834 L HN 0.072 nan 8.230 nan 0.000 0.439 835 R N 0.636 120.949 120.500 -0.313 0.000 2.235 835 R HA -0.008 4.333 4.340 0.001 0.000 0.213 835 R C 1.657 177.766 176.300 -0.318 0.000 1.059 835 R CA 1.338 57.142 56.100 -0.494 0.000 0.997 835 R CB -0.241 29.246 30.300 -1.355 0.000 0.884 835 R HN 0.349 nan 8.270 nan 0.000 0.462 836 A N 0.034 122.725 122.820 -0.215 0.000 1.944 836 A HA 0.238 4.559 4.320 0.001 0.000 0.209 836 A C 0.257 177.801 177.584 -0.066 0.000 1.328 836 A CA 0.311 52.275 52.037 -0.121 0.000 0.693 836 A CB -0.137 18.811 19.000 -0.086 0.000 0.994 836 A HN 0.220 nan 8.150 nan 0.000 0.485 837 L N -0.819 120.375 121.223 -0.049 0.000 2.270 837 L HA 0.514 4.855 4.340 0.001 0.000 0.286 837 L C 0.535 177.398 176.870 -0.011 0.000 1.059 837 L CA -0.653 54.171 54.840 -0.026 0.000 0.839 837 L CB -0.132 41.915 42.059 -0.019 0.000 1.221 837 L HN 0.391 nan 8.230 nan 0.000 0.431 838 K N 2.989 123.393 120.400 0.006 0.000 2.607 838 K HA -0.361 3.960 4.320 0.001 0.000 0.175 838 K C 1.343 177.970 176.600 0.044 0.000 0.668 838 K CA 3.110 59.422 56.287 0.042 0.000 0.843 838 K CB -0.314 32.233 32.500 0.078 0.000 0.259 838 K HN 0.877 nan 8.250 nan 0.000 1.064 839 A N -0.357 122.494 122.820 0.052 0.000 2.108 839 A HA 0.027 4.348 4.320 0.001 0.000 0.206 839 A C 1.691 179.295 177.584 0.032 0.000 1.212 839 A CA 0.897 52.962 52.037 0.047 0.000 0.843 839 A CB -0.189 18.845 19.000 0.057 0.000 0.902 839 A HN 0.686 nan 8.150 nan 0.000 0.477 840 E N 0.470 120.686 120.200 0.026 0.000 2.072 840 E HA -0.093 4.258 4.350 0.001 0.000 0.190 840 E C 0.817 177.426 176.600 0.014 0.000 0.982 840 E CA 1.454 57.865 56.400 0.018 0.000 0.803 840 E CB -0.258 29.451 29.700 0.014 0.000 0.755 840 E HN 0.315 nan 8.360 nan 0.000 0.453 841 E N -0.422 119.785 120.200 0.012 0.000 2.464 841 E HA 0.446 4.796 4.350 0.001 0.000 0.260 841 E C -0.292 176.316 176.600 0.014 0.000 1.318 841 E CA 0.177 56.584 56.400 0.010 0.000 1.571 841 E CB 0.337 30.040 29.700 0.005 0.000 1.525 841 E HN 0.379 nan 8.360 nan 0.000 0.449 842 A N -0.501 122.330 122.820 0.019 0.000 1.949 842 A HA 0.108 4.429 4.320 0.001 0.000 0.200 842 A C 1.732 179.331 177.584 0.024 0.000 1.832 842 A CA 0.312 52.364 52.037 0.024 0.000 1.004 842 A CB -0.232 18.787 19.000 0.031 0.000 1.102 842 A HN 0.165 nan 8.150 nan 0.000 0.595 843 V N 1.657 121.584 119.914 0.022 0.000 2.282 843 V HA -0.269 3.852 4.120 0.001 0.000 0.249 843 V C 2.163 178.266 176.094 0.014 0.000 1.057 843 V CA 2.423 64.733 62.300 0.017 0.000 1.032 843 V CB -0.890 30.940 31.823 0.011 0.000 0.645 843 V HN 0.593 nan 8.190 nan 0.000 0.447 844 E N -0.670 119.538 120.200 0.013 0.000 2.435 844 E HA -0.067 4.284 4.350 0.001 0.000 0.195 844 E C 2.139 178.746 176.600 0.012 0.000 1.029 844 E CA 0.005 56.411 56.400 0.011 0.000 0.865 844 E CB -0.041 29.664 29.700 0.009 0.000 0.833 844 E HN 0.292 nan 8.360 nan 0.000 0.510 845 R N 0.713 121.222 120.500 0.014 0.000 2.246 845 R HA 0.109 4.450 4.340 0.001 0.000 0.199 845 R C 1.968 178.278 176.300 0.018 0.000 0.984 845 R CA 0.250 56.359 56.100 0.015 0.000 1.015 845 R CB -0.057 30.254 30.300 0.018 0.000 0.930 845 R HN 0.228 nan 8.270 nan 0.000 0.475 846 L N -0.890 120.343 121.223 0.018 0.000 2.168 846 L HA 0.004 4.345 4.340 0.001 0.000 0.203 846 L C 2.248 179.127 176.870 0.015 0.000 1.078 846 L CA 0.341 55.191 54.840 0.016 0.000 0.780 846 L CB -0.531 41.539 42.059 0.019 0.000 0.939 846 L HN -0.204 nan 8.230 nan 0.000 0.451 847 V N 0.506 120.429 119.914 0.014 0.000 2.250 847 V HA -0.347 3.773 4.120 0.001 0.000 0.250 847 V C 2.434 178.539 176.094 0.020 0.000 1.060 847 V CA 2.213 64.521 62.300 0.014 0.000 1.030 847 V CB -0.622 31.208 31.823 0.012 0.000 0.643 847 V HN 0.434 nan 8.190 nan 0.000 0.445 848 E N 0.135 120.346 120.200 0.019 0.000 2.085 848 E HA -0.210 4.140 4.350 0.001 0.000 0.194 848 E C 2.279 178.894 176.600 0.025 0.000 0.994 848 E CA 1.560 57.974 56.400 0.022 0.000 0.801 848 E CB -0.478 29.232 29.700 0.016 0.000 0.743 848 E HN 0.625 nan 8.360 nan 0.000 0.453 849 A N 1.126 123.956 122.820 0.017 0.000 1.873 849 A HA -0.100 4.221 4.320 0.001 0.000 0.215 849 A C 2.398 179.989 177.584 0.011 0.000 1.186 849 A CA 1.679 53.722 52.037 0.010 0.000 0.616 849 A CB -0.883 18.117 19.000 0.000 0.000 0.823 849 A HN 0.303 nan 8.150 nan 0.000 0.442 850 A N -0.210 122.620 122.820 0.017 0.000 1.892 850 A HA -0.140 4.181 4.320 0.001 0.000 0.218 850 A C 2.088 179.717 177.584 0.075 0.000 1.188 850 A CA 1.756 53.829 52.037 0.060 0.000 0.631 850 A CB -0.619 18.422 19.000 0.068 0.000 0.822 850 A HN 0.409 nan 8.150 nan 0.000 0.447 851 L N -0.451 120.809 121.223 0.061 0.000 2.042 851 L HA -0.203 4.138 4.340 0.001 0.000 0.210 851 L C 2.461 179.420 176.870 0.149 0.000 1.076 851 L CA 2.459 57.369 54.840 0.117 0.000 0.749 851 L CB -1.158 40.958 42.059 0.094 0.000 0.893 851 L HN 0.553 nan 8.230 nan 0.000 0.432 852 K N -0.388 120.069 120.400 0.095 0.000 2.063 852 K HA -0.173 4.148 4.320 0.001 0.000 0.208 852 K C 2.092 178.757 176.600 0.109 0.000 1.048 852 K CA 1.514 57.852 56.287 0.085 0.000 0.928 852 K CB 0.015 32.543 32.500 0.046 0.000 0.713 852 K HN 0.283 nan 8.250 nan 0.000 0.442 853 A N 0.061 122.944 122.820 0.106 0.000 1.898 853 A HA -0.158 4.163 4.320 0.001 0.000 0.216 853 A C 2.010 179.779 177.584 0.309 0.000 1.181 853 A CA 1.166 53.275 52.037 0.120 0.000 0.620 853 A CB -0.898 18.073 19.000 -0.049 0.000 0.819 853 A HN 0.479 nan 8.150 nan 0.000 0.442 854 Y N -0.044 120.413 120.300 0.262 0.000 2.097 854 Y HA -0.292 4.259 4.550 0.001 0.000 0.282 854 Y C 2.691 178.653 175.900 0.103 0.000 1.152 854 Y CA 1.475 59.689 58.100 0.191 0.000 1.136 854 Y CB -0.140 38.384 38.460 0.106 0.000 0.975 854 Y HN 0.440 nan 8.280 nan 0.000 0.498 855 E N 0.046 120.405 120.200 0.266 0.000 2.097 855 E HA -0.287 4.064 4.350 0.001 0.000 0.196 855 E C 2.228 178.895 176.600 0.111 0.000 1.000 855 E CA 1.251 57.736 56.400 0.141 0.000 0.804 855 E CB -0.262 29.505 29.700 0.111 0.000 0.740 855 E HN 0.475 nan 8.360 nan 0.000 0.454 856 A N 0.887 123.781 122.820 0.123 0.000 1.969 856 A HA -0.158 4.163 4.320 0.001 0.000 0.218 856 A C 2.072 179.714 177.584 0.097 0.000 1.169 856 A CA 1.496 53.587 52.037 0.091 0.000 0.635 856 A CB -0.341 18.706 19.000 0.078 0.000 0.810 856 A HN 0.084 nan 8.150 nan 0.000 0.445 857 R N -0.090 120.497 120.500 0.145 0.000 2.193 857 R HA 0.020 4.361 4.340 0.001 0.000 0.213 857 R C 1.455 177.799 176.300 0.074 0.000 1.055 857 R CA 1.011 57.191 56.100 0.133 0.000 0.995 857 R CB -0.182 30.252 30.300 0.224 0.000 0.893 857 R HN 0.562 nan 8.270 nan 0.000 0.459 858 E N -0.746 119.490 120.200 0.060 0.000 2.516 858 E HA -0.061 4.290 4.350 0.001 0.000 0.199 858 E C 0.759 177.372 176.600 0.021 0.000 1.069 858 E CA 0.550 56.960 56.400 0.017 0.000 0.876 858 E CB 0.415 30.120 29.700 0.008 0.000 0.843 858 E HN 0.484 nan 8.360 nan 0.000 0.530 859 A N 0.253 123.093 122.820 0.034 0.000 2.070 859 A HA 0.043 4.364 4.320 0.001 0.000 0.202 859 A C 1.715 179.315 177.584 0.027 0.000 1.277 859 A CA -0.164 51.889 52.037 0.028 0.000 0.872 859 A CB 0.278 19.297 19.000 0.031 0.000 0.933 859 A HN 0.045 nan 8.150 nan 0.000 0.475 860 E N 0.313 120.535 120.200 0.036 0.000 2.031 860 E HA -0.116 4.235 4.350 0.001 0.000 0.193 860 E C 0.064 176.679 176.600 0.025 0.000 0.994 860 E CA 1.192 57.612 56.400 0.034 0.000 0.800 860 E CB -0.379 29.350 29.700 0.047 0.000 0.752 860 E HN 0.701 nan 8.360 nan 0.000 0.447 861 L N -0.461 120.776 121.223 0.023 0.000 2.342 861 L HA 0.466 4.807 4.340 0.001 0.000 0.276 861 L C -0.150 176.723 176.870 0.005 0.000 0.997 861 L CA -0.873 53.974 54.840 0.012 0.000 0.838 861 L CB 1.968 44.034 42.059 0.012 0.000 1.224 861 L HN -0.289 nan 8.230 nan 0.000 0.416 862 S N 3.482 119.183 115.700 0.002 0.000 2.536 862 S HA -0.036 4.435 4.470 0.001 0.000 0.290 862 S C -1.290 173.303 174.600 -0.010 0.000 1.302 862 S CA -0.264 57.935 58.200 -0.002 0.000 1.037 862 S CB 0.273 63.471 63.200 -0.004 0.000 0.804 862 S HN 0.627 nan 8.310 nan 0.000 0.506 863 P HA -0.164 nan 4.420 nan 0.000 0.219 863 P C -1.582 175.700 177.300 -0.030 0.000 1.153 863 P CA 1.579 64.665 63.100 -0.023 0.000 0.865 863 P CB -0.737 30.952 31.700 -0.017 0.000 0.788 864 P HA -0.063 nan 4.420 nan 0.000 0.219 864 P C 1.628 178.912 177.300 -0.026 0.000 1.150 864 P CA 0.988 64.074 63.100 -0.024 0.000 0.814 864 P CB -0.288 31.401 31.700 -0.019 0.000 0.787 865 L N -1.736 119.473 121.223 -0.024 0.000 2.179 865 L HA -0.039 4.302 4.340 0.001 0.000 0.208 865 L C 2.347 179.200 176.870 -0.027 0.000 1.096 865 L CA 0.922 55.748 54.840 -0.022 0.000 0.779 865 L CB -0.421 41.628 42.059 -0.016 0.000 0.922 865 L HN 0.004 nan 8.230 nan 0.000 0.443 866 M N 0.445 120.021 119.600 -0.040 0.000 2.117 866 M HA -0.232 4.249 4.480 0.001 0.000 0.262 866 M C 2.446 178.688 176.300 -0.096 0.000 1.065 866 M CA 1.908 57.164 55.300 -0.073 0.000 1.114 866 M CB -0.532 32.010 32.600 -0.097 0.000 1.361 866 M HN 0.331 nan 8.290 nan 0.000 0.408 867 R N -0.258 120.195 120.500 -0.080 0.000 2.115 867 R HA 0.014 4.355 4.340 0.001 0.000 0.226 867 R C 1.966 178.242 176.300 -0.040 0.000 1.100 867 R CA 1.354 57.409 56.100 -0.075 0.000 0.980 867 R CB -0.934 29.331 30.300 -0.058 0.000 0.875 867 R HN 0.292 nan 8.270 nan 0.000 0.445 868 A N 1.502 124.307 122.820 -0.025 0.000 1.972 868 A HA -0.054 4.267 4.320 0.001 0.000 0.219 868 A C 2.343 179.949 177.584 0.037 0.000 1.169 868 A CA 1.560 53.596 52.037 -0.002 0.000 0.635 868 A CB -0.403 18.587 19.000 -0.016 0.000 0.810 868 A HN 0.191 nan 8.150 nan 0.000 0.446 869 V N -0.222 119.708 119.914 0.028 0.000 2.379 869 V HA -0.227 3.894 4.120 0.001 0.000 0.245 869 V C 2.340 178.471 176.094 0.061 0.000 1.044 869 V CA 2.045 64.396 62.300 0.084 0.000 1.036 869 V CB -0.828 31.024 31.823 0.049 0.000 0.664 869 V HN 0.614 nan 8.190 nan 0.000 0.453 870 E N 0.165 120.353 120.200 -0.020 0.000 2.038 870 E HA -0.244 4.106 4.350 0.001 0.000 0.195 870 E C 2.511 179.098 176.600 -0.021 0.000 1.000 870 E CA 1.522 57.891 56.400 -0.053 0.000 0.803 870 E CB -0.206 29.436 29.700 -0.097 0.000 0.750 870 E HN 0.510 nan 8.360 nan 0.000 0.448 871 R N -0.079 120.424 120.500 0.006 0.000 2.094 871 R HA -0.199 4.142 4.340 0.001 0.000 0.239 871 R C 2.378 178.715 176.300 0.061 0.000 1.137 871 R CA 1.692 57.806 56.100 0.024 0.000 0.943 871 R CB -0.629 29.694 30.300 0.037 0.000 0.850 871 R HN 0.197 nan 8.270 nan 0.000 0.433 872 F N 1.426 121.341 119.950 -0.057 0.000 2.102 872 F HA -0.191 4.337 4.527 0.001 0.000 0.298 872 F C 2.125 177.872 175.800 -0.088 0.000 1.105 872 F CA 1.223 59.185 58.000 -0.063 0.000 1.239 872 F CB -0.469 38.497 39.000 -0.057 0.000 0.991 872 F HN -0.265 nan 8.300 nan 0.000 0.474 873 V N 1.119 120.901 119.914 -0.219 0.000 2.244 873 V HA -0.311 3.810 4.120 0.001 0.000 0.244 873 V C 2.483 178.407 176.094 -0.283 0.000 1.042 873 V CA 2.269 64.354 62.300 -0.358 0.000 1.006 873 V CB -0.712 31.017 31.823 -0.157 0.000 0.641 873 V HN 0.352 nan 8.190 nan 0.000 0.446 874 I N -0.434 120.043 120.570 -0.154 0.000 2.091 874 I HA -0.306 3.865 4.170 0.001 0.000 0.239 874 I C 2.477 178.523 176.117 -0.118 0.000 1.061 874 I CA 1.757 62.989 61.300 -0.113 0.000 1.317 874 I CB -0.627 37.330 38.000 -0.073 0.000 1.031 874 I HN 0.226 nan 8.210 nan 0.000 0.401 875 L N 0.533 121.690 121.223 -0.110 0.000 1.990 875 L HA -0.298 4.043 4.340 0.001 0.000 0.213 875 L C 2.596 179.393 176.870 -0.121 0.000 1.072 875 L CA 1.745 56.533 54.840 -0.086 0.000 0.755 875 L CB -0.884 41.143 42.059 -0.055 0.000 0.889 875 L HN 0.462 nan 8.230 nan 0.000 0.432 876 N N -0.044 118.505 118.700 -0.252 0.000 2.094 876 N HA -0.177 4.564 4.740 0.001 0.000 0.191 876 N C 1.710 177.106 175.510 -0.190 0.000 1.023 876 N CA 1.678 54.542 53.050 -0.311 0.000 0.857 876 N CB 0.059 38.142 38.487 -0.674 0.000 1.013 876 N HN 0.123 nan 8.380 nan 0.000 0.426 877 V N 0.654 120.465 119.914 -0.171 0.000 2.283 877 V HA -0.164 3.957 4.120 0.001 0.000 0.243 877 V C 2.545 178.676 176.094 0.061 0.000 1.039 877 V CA 1.176 63.454 62.300 -0.036 0.000 1.016 877 V CB -0.516 31.277 31.823 -0.049 0.000 0.650 877 V HN 0.062 nan 8.190 nan 0.000 0.449 878 V N 1.876 121.807 119.914 0.028 0.000 2.223 878 V HA -0.266 3.855 4.120 0.001 0.000 0.244 878 V C 2.457 178.640 176.094 0.150 0.000 1.045 878 V CA 2.276 64.619 62.300 0.071 0.000 1.000 878 V CB -1.012 30.812 31.823 0.002 0.000 0.635 878 V HN 0.836 nan 8.190 nan 0.000 0.445 879 D N 0.182 120.651 120.400 0.114 0.000 2.351 879 D HA -0.231 4.410 4.640 0.001 0.000 0.216 879 D C 1.745 178.161 176.300 0.193 0.000 0.968 879 D CA 1.342 55.459 54.000 0.196 0.000 0.899 879 D CB -0.599 40.273 40.800 0.120 0.000 0.907 879 D HN 0.541 nan 8.370 nan 0.000 0.514 880 N N 0.361 119.135 118.700 0.124 0.000 2.409 880 N HA 0.031 4.771 4.740 0.001 0.000 0.174 880 N C 1.599 177.175 175.510 0.111 0.000 1.037 880 N CA 0.944 54.035 53.050 0.069 0.000 0.898 880 N CB 0.262 38.739 38.487 -0.018 0.000 1.010 880 N HN 0.224 nan 8.380 nan 0.000 0.445 881 A N 0.301 123.245 122.820 0.207 0.000 1.935 881 A HA -0.004 4.317 4.320 0.001 0.000 0.214 881 A C 2.065 179.850 177.584 0.335 0.000 1.178 881 A CA 0.180 52.370 52.037 0.255 0.000 0.640 881 A CB -1.098 18.095 19.000 0.321 0.000 0.825 881 A HN 0.573 nan 8.150 nan 0.000 0.447 882 W N 1.323 122.700 121.300 0.128 0.000 2.353 882 W HA -0.202 4.459 4.660 0.002 0.000 0.319 882 W C 1.820 178.446 176.519 0.180 0.000 1.207 882 W CA 1.697 59.145 57.345 0.172 0.000 1.291 882 W CB -0.139 29.420 29.460 0.164 0.000 1.159 882 W HN 0.254 nan 8.180 nan 0.000 0.478 883 K N -0.021 120.469 120.400 0.151 0.000 2.160 883 K HA -0.264 4.057 4.320 0.001 0.000 0.206 883 K C 1.588 178.185 176.600 -0.005 0.000 1.047 883 K CA 1.840 58.115 56.287 -0.020 0.000 0.930 883 K CB -0.343 32.190 32.500 0.056 0.000 0.720 883 K HN -0.002 nan 8.250 nan 0.000 0.450 884 E N -0.267 119.973 120.200 0.067 0.000 2.358 884 E HA -0.116 4.234 4.350 0.001 0.000 0.195 884 E C 1.516 178.160 176.600 0.074 0.000 1.010 884 E CA 0.826 57.260 56.400 0.056 0.000 0.856 884 E CB 0.027 29.756 29.700 0.048 0.000 0.795 884 E HN 0.309 nan 8.360 nan 0.000 0.504 885 H N -0.248 118.792 119.070 -0.051 0.000 2.329 885 H HA 0.133 4.690 4.556 0.001 0.000 0.306 885 H C 1.763 176.971 175.328 -0.200 0.000 1.062 885 H CA 1.387 57.391 56.048 -0.074 0.000 1.364 885 H CB -0.236 29.541 29.762 0.026 0.000 1.409 885 H HN 0.087 nan 8.280 nan 0.000 0.519 886 L N -0.391 120.561 121.223 -0.451 0.000 2.129 886 L HA -0.255 4.086 4.340 0.001 0.000 0.212 886 L C 2.404 179.118 176.870 -0.260 0.000 1.087 886 L CA 1.964 56.500 54.840 -0.507 0.000 0.757 886 L CB -0.675 41.042 42.059 -0.571 0.000 0.896 886 L HN 0.491 nan 8.230 nan 0.000 0.434 887 H N 0.045 118.965 119.070 -0.250 0.000 2.307 887 H HA -0.109 4.448 4.556 0.001 0.000 0.303 887 H C 2.174 177.383 175.328 -0.200 0.000 1.073 887 H CA 1.431 57.366 56.048 -0.188 0.000 1.338 887 H CB 0.320 29.999 29.762 -0.138 0.000 1.389 887 H HN 0.204 nan 8.280 nan 0.000 0.503 888 N N 0.289 118.986 118.700 -0.006 0.000 2.192 888 N HA -0.155 4.585 4.740 0.001 0.000 0.188 888 N C 1.840 177.271 175.510 -0.132 0.000 1.013 888 N CA 1.084 54.077 53.050 -0.095 0.000 0.863 888 N CB -0.163 38.294 38.487 -0.050 0.000 0.990 888 N HN 0.371 nan 8.380 nan 0.000 0.430 889 L N 0.128 121.220 121.223 -0.218 0.000 2.044 889 L HA -0.104 4.237 4.340 0.001 0.000 0.205 889 L C 1.704 178.512 176.870 -0.103 0.000 1.075 889 L CA 0.915 55.642 54.840 -0.189 0.000 0.747 889 L CB -0.384 41.488 42.059 -0.312 0.000 0.903 889 L HN 0.084 nan 8.230 nan 0.000 0.435 890 D N 0.130 120.447 120.400 -0.138 0.000 2.126 890 D HA -0.189 4.452 4.640 0.001 0.000 0.190 890 D C 2.173 178.402 176.300 -0.119 0.000 1.001 890 D CA 1.500 55.416 54.000 -0.139 0.000 0.841 890 D CB -0.225 40.467 40.800 -0.180 0.000 0.949 890 D HN 0.105 nan 8.370 nan 0.000 0.446 891 V N 0.729 120.588 119.914 -0.091 0.000 2.867 891 V HA -0.173 3.948 4.120 0.001 0.000 0.260 891 V C 2.311 178.319 176.094 -0.144 0.000 1.099 891 V CA 0.759 62.992 62.300 -0.112 0.000 1.122 891 V CB -0.250 31.514 31.823 -0.100 0.000 0.708 891 V HN 0.093 nan 8.190 nan 0.000 0.490 892 L N -0.579 120.583 121.223 -0.102 0.000 2.168 892 L HA 0.076 4.416 4.340 0.001 0.000 0.203 892 L C 2.575 179.425 176.870 -0.033 0.000 1.078 892 L CA 1.541 56.348 54.840 -0.054 0.000 0.780 892 L CB -0.355 41.710 42.059 0.010 0.000 0.939 892 L HN 0.140 nan 8.230 nan 0.000 0.451 893 R N -0.863 119.596 120.500 -0.067 0.000 2.061 893 R HA -0.065 4.276 4.340 0.001 0.000 0.230 893 R C 1.374 177.569 176.300 -0.175 0.000 1.140 893 R CA 1.069 57.039 56.100 -0.218 0.000 0.940 893 R CB -0.350 29.715 30.300 -0.390 0.000 0.839 893 R HN 0.350 nan 8.270 nan 0.000 0.429 894 Q N 0.125 119.821 119.800 -0.174 0.000 2.259 894 Q HA 0.066 4.407 4.340 0.001 0.000 0.228 894 Q C 0.692 176.275 176.000 -0.695 0.000 0.909 894 Q CA 0.405 56.088 55.803 -0.200 0.000 0.948 894 Q CB 1.173 29.899 28.738 -0.020 0.000 1.041 894 Q HN 0.501 nan 8.270 nan 0.000 0.445 895 G N -0.140 108.247 108.800 -0.688 0.000 2.604 895 G HA2 0.036 3.996 3.960 0.001 0.000 0.202 895 G HA3 0.036 3.996 3.960 0.001 0.000 0.202 895 G C 1.061 175.638 174.900 -0.538 0.000 1.212 895 G CA -0.218 44.516 45.100 -0.611 0.000 0.627 895 G HN 0.246 nan 8.290 nan 0.000 0.850 896 I N 2.848 123.262 120.570 -0.260 0.000 3.010 896 I HA -0.081 4.090 4.170 0.001 0.000 0.271 896 I C 2.291 178.428 176.117 0.033 0.000 1.293 896 I CA 0.821 62.078 61.300 -0.072 0.000 1.452 896 I CB -0.373 37.662 38.000 0.058 0.000 1.082 896 I HN 0.408 nan 8.210 nan 0.000 0.484 897 F N 0.240 120.209 119.950 0.030 0.000 2.451 897 F HA 0.068 4.596 4.527 0.001 0.000 0.299 897 F C 1.055 176.885 175.800 0.049 0.000 1.101 897 F CA -0.288 57.741 58.000 0.048 0.000 1.436 897 F CB -0.594 38.416 39.000 0.017 0.000 1.074 897 F HN -0.181 nan 8.300 nan 0.000 0.553 898 L N 2.736 124.193 121.223 0.390 0.000 2.516 898 L HA -0.042 4.299 4.340 0.001 0.000 0.288 898 L C 1.088 178.083 176.870 0.208 0.000 1.246 898 L CA -0.168 54.852 54.840 0.300 0.000 0.844 898 L CB 0.266 42.388 42.059 0.105 0.000 1.106 898 L HN 0.316 nan 8.230 nan 0.000 0.509 899 R N 2.177 122.776 120.500 0.164 0.000 2.540 899 R HA 0.128 4.469 4.340 0.001 0.000 0.317 899 R C 0.289 176.666 176.300 0.128 0.000 1.233 899 R CA 0.051 56.232 56.100 0.135 0.000 1.003 899 R CB -0.906 29.459 30.300 0.108 0.000 1.034 899 R HN 0.703 nan 8.270 nan 0.000 0.483 900 G N 2.123 111.008 108.800 0.141 0.000 2.485 900 G HA2 -0.027 3.934 3.960 0.001 0.000 0.260 900 G HA3 -0.027 3.934 3.960 0.001 0.000 0.260 900 G C -0.789 174.244 174.900 0.220 0.000 1.459 900 G CA -0.858 44.325 45.100 0.138 0.000 1.060 900 G HN 0.647 nan 8.290 nan 0.000 0.546 901 Y N 1.391 121.726 120.300 0.060 0.000 2.569 901 Y HA 0.180 4.731 4.550 0.001 0.000 0.332 901 Y C 1.943 177.876 175.900 0.055 0.000 1.120 901 Y CA -0.306 57.826 58.100 0.053 0.000 1.416 901 Y CB 0.437 38.927 38.460 0.050 0.000 1.210 901 Y HN 0.831 nan 8.280 nan 0.000 0.528 902 G N 4.075 112.970 108.800 0.159 0.000 3.615 902 G HA2 -0.472 3.489 3.960 0.001 0.000 0.463 902 G HA3 -0.472 3.489 3.960 0.001 0.000 0.463 902 G C 1.122 176.044 174.900 0.037 0.000 0.884 902 G CA 1.479 46.601 45.100 0.037 0.000 0.733 902 G HN 0.907 nan 8.290 nan 0.000 1.300 903 Q N -0.330 119.465 119.800 -0.008 0.000 2.152 903 Q HA -0.088 4.253 4.340 0.001 0.000 0.206 903 Q C 1.265 177.289 176.000 0.040 0.000 0.985 903 Q CA 1.733 57.542 55.803 0.010 0.000 0.863 903 Q CB -0.187 28.543 28.738 -0.013 0.000 0.904 903 Q HN 0.366 nan 8.270 nan 0.000 0.422 904 K N 3.897 124.326 120.400 0.048 0.000 2.315 904 K HA -0.034 4.287 4.320 0.001 0.000 0.281 904 K C -0.829 175.836 176.600 0.109 0.000 1.086 904 K CA 0.282 56.615 56.287 0.077 0.000 1.042 904 K CB 0.048 32.601 32.500 0.089 0.000 0.949 904 K HN 0.351 nan 8.250 nan 0.000 0.450 905 D N 4.002 124.471 120.400 0.115 0.000 2.563 905 D HA -0.118 4.523 4.640 0.001 0.000 0.229 905 D C -1.730 174.685 176.300 0.192 0.000 1.159 905 D CA -0.956 53.132 54.000 0.146 0.000 0.869 905 D CB 0.469 41.365 40.800 0.160 0.000 1.203 905 D HN 0.234 nan 8.370 nan 0.000 0.478 906 P HA -0.171 nan 4.420 nan 0.000 0.216 906 P C 1.387 178.880 177.300 0.321 0.000 1.153 906 P CA 0.791 64.044 63.100 0.255 0.000 0.858 906 P CB -0.115 31.753 31.700 0.280 0.000 0.789 907 F N 0.705 120.761 119.950 0.177 0.000 2.043 907 F HA -0.279 4.249 4.527 0.001 0.000 0.297 907 F C 2.508 178.442 175.800 0.225 0.000 1.118 907 F CA 1.906 60.019 58.000 0.189 0.000 1.202 907 F CB -1.143 37.838 39.000 -0.032 0.000 0.965 907 F HN -0.090 nan 8.300 nan 0.000 0.482 908 Q N -0.139 119.755 119.800 0.157 0.000 2.096 908 Q HA -0.310 4.031 4.340 0.001 0.000 0.208 908 Q C 2.364 178.371 176.000 0.012 0.000 0.993 908 Q CA 2.271 58.102 55.803 0.047 0.000 0.862 908 Q CB -0.386 28.415 28.738 0.104 0.000 0.915 908 Q HN 0.624 nan 8.270 nan 0.000 0.416 909 E N -0.978 119.273 120.200 0.084 0.000 2.077 909 E HA -0.221 4.130 4.350 0.001 0.000 0.193 909 E C 1.805 178.439 176.600 0.057 0.000 0.989 909 E CA 1.149 57.598 56.400 0.083 0.000 0.800 909 E CB -0.196 29.579 29.700 0.124 0.000 0.746 909 E HN 0.450 nan 8.360 nan 0.000 0.452 910 Y N 1.718 121.997 120.300 -0.034 0.000 2.089 910 Y HA -0.257 4.294 4.550 0.001 0.000 0.282 910 Y C 2.325 178.142 175.900 -0.139 0.000 1.139 910 Y CA 2.182 60.250 58.100 -0.052 0.000 1.123 910 Y CB -0.251 38.233 38.460 0.040 0.000 0.980 910 Y HN -0.167 nan 8.280 nan 0.000 0.493 911 K N 0.554 120.765 120.400 -0.315 0.000 2.034 911 K HA -0.258 4.063 4.320 0.001 0.000 0.214 911 K C 2.079 178.529 176.600 -0.249 0.000 1.051 911 K CA 2.513 58.569 56.287 -0.385 0.000 0.931 911 K CB -0.619 31.626 32.500 -0.425 0.000 0.715 911 K HN 0.522 nan 8.250 nan 0.000 0.446 912 I N 0.754 121.235 120.570 -0.148 0.000 2.091 912 I HA -0.296 3.875 4.170 0.001 0.000 0.239 912 I C 2.540 178.619 176.117 -0.063 0.000 1.061 912 I CA 1.679 62.937 61.300 -0.070 0.000 1.317 912 I CB -0.353 37.635 38.000 -0.020 0.000 1.031 912 I HN 0.300 nan 8.210 nan 0.000 0.401 913 E N 0.907 121.058 120.200 -0.081 0.000 2.110 913 E HA -0.178 4.173 4.350 0.001 0.000 0.193 913 E C 2.031 178.570 176.600 -0.102 0.000 0.988 913 E CA 1.440 57.806 56.400 -0.057 0.000 0.804 913 E CB -0.174 29.494 29.700 -0.054 0.000 0.745 913 E HN 0.451 nan 8.360 nan 0.000 0.458 914 A N -0.363 122.291 122.820 -0.276 0.000 1.841 914 A HA -0.227 4.094 4.320 0.001 0.000 0.216 914 A C 2.447 180.020 177.584 -0.018 0.000 1.199 914 A CA 2.481 54.353 52.037 -0.275 0.000 0.621 914 A CB -1.300 17.332 19.000 -0.613 0.000 0.835 914 A HN 0.368 nan 8.150 nan 0.000 0.445 915 T N -0.456 114.079 114.554 -0.031 0.000 2.778 915 T HA -0.179 4.172 4.350 0.001 0.000 0.269 915 T C 2.045 176.832 174.700 0.145 0.000 1.050 915 T CA 1.347 63.496 62.100 0.083 0.000 1.137 915 T CB -0.285 68.609 68.868 0.043 0.000 0.860 915 T HN 0.378 nan 8.240 nan 0.000 0.468 916 R N 0.829 121.382 120.500 0.087 0.000 2.075 916 R HA -0.003 4.338 4.340 0.001 0.000 0.230 916 R C 2.497 178.869 176.300 0.121 0.000 1.140 916 R CA 1.284 57.443 56.100 0.098 0.000 0.928 916 R CB -0.880 29.474 30.300 0.090 0.000 0.834 916 R HN 0.388 nan 8.270 nan 0.000 0.429 917 L N 0.206 121.510 121.223 0.135 0.000 2.051 917 L HA -0.268 4.073 4.340 0.001 0.000 0.214 917 L C 2.523 179.467 176.870 0.122 0.000 1.076 917 L CA 1.629 56.565 54.840 0.159 0.000 0.758 917 L CB -0.673 41.536 42.059 0.250 0.000 0.890 917 L HN 0.199 nan 8.230 nan 0.000 0.433 918 F N 1.614 121.557 119.950 -0.012 0.000 2.026 918 F HA -0.258 4.270 4.527 0.001 0.000 0.296 918 F C 2.463 178.234 175.800 -0.048 0.000 1.133 918 F CA 1.886 59.813 58.000 -0.122 0.000 1.188 918 F CB -0.612 38.383 39.000 -0.008 0.000 0.968 918 F HN 0.092 nan 8.300 nan 0.000 0.476 919 N N 0.780 119.466 118.700 -0.024 0.000 2.069 919 N HA -0.264 4.477 4.740 0.001 0.000 0.196 919 N C 1.953 177.376 175.510 -0.145 0.000 1.024 919 N CA 1.862 54.829 53.050 -0.139 0.000 0.869 919 N CB -0.764 37.732 38.487 0.015 0.000 1.035 919 N HN 0.544 nan 8.380 nan 0.000 0.434 920 E N 0.056 120.229 120.200 -0.045 0.000 2.058 920 E HA -0.160 4.191 4.350 0.001 0.000 0.194 920 E C 2.012 178.603 176.600 -0.016 0.000 0.997 920 E CA 0.880 57.279 56.400 -0.002 0.000 0.801 920 E CB -0.058 29.670 29.700 0.046 0.000 0.746 920 E HN 0.254 nan 8.360 nan 0.000 0.450 921 M N 0.348 119.904 119.600 -0.073 0.000 2.108 921 M HA -0.189 4.292 4.480 0.001 0.000 0.261 921 M C 2.259 178.513 176.300 -0.077 0.000 1.066 921 M CA 1.287 56.556 55.300 -0.052 0.000 1.107 921 M CB -0.148 32.368 32.600 -0.140 0.000 1.356 921 M HN 0.114 nan 8.290 nan 0.000 0.406 922 V N 0.155 119.889 119.914 -0.300 0.000 2.407 922 V HA -0.241 3.880 4.120 0.001 0.000 0.248 922 V C 2.615 178.636 176.094 -0.122 0.000 1.055 922 V CA 1.698 63.825 62.300 -0.288 0.000 1.049 922 V CB -1.671 29.873 31.823 -0.466 0.000 0.662 922 V HN 0.539 nan 8.190 nan 0.000 0.455 923 A N 0.249 123.020 122.820 -0.081 0.000 1.849 923 A HA -0.292 4.029 4.320 0.001 0.000 0.217 923 A C 2.135 179.728 177.584 0.014 0.000 1.202 923 A CA 2.289 54.308 52.037 -0.030 0.000 0.629 923 A CB -0.959 18.041 19.000 0.000 0.000 0.834 923 A HN 0.497 nan 8.150 nan 0.000 0.447 924 F N 0.628 120.548 119.950 -0.050 0.000 2.154 924 F HA -0.217 4.311 4.527 0.002 0.000 0.301 924 F C 1.986 177.788 175.800 0.004 0.000 1.087 924 F CA 1.786 59.779 58.000 -0.011 0.000 1.274 924 F CB -0.175 38.838 39.000 0.023 0.000 1.009 924 F HN 0.223 nan 8.300 nan 0.000 0.485 925 I N 0.022 120.630 120.570 0.063 0.000 2.133 925 I HA -0.325 3.846 4.170 0.001 0.000 0.238 925 I C 2.400 178.448 176.117 -0.114 0.000 1.074 925 I CA 1.587 62.877 61.300 -0.017 0.000 1.342 925 I CB -0.633 37.381 38.000 0.024 0.000 1.053 925 I HN 0.025 nan 8.210 nan 0.000 0.404 926 K N 0.631 120.974 120.400 -0.096 0.000 2.044 926 K HA -0.232 4.089 4.320 0.001 0.000 0.210 926 K C 2.337 178.867 176.600 -0.118 0.000 1.049 926 K CA 2.063 58.294 56.287 -0.094 0.000 0.927 926 K CB -0.334 32.118 32.500 -0.079 0.000 0.713 926 K HN 0.338 nan 8.250 nan 0.000 0.443 927 S N 1.049 116.656 115.700 -0.154 0.000 2.356 927 S HA -0.209 4.262 4.470 0.001 0.000 0.223 927 S C 2.062 176.533 174.600 -0.215 0.000 1.032 927 S CA 1.639 59.736 58.200 -0.172 0.000 1.005 927 S CB -0.144 62.945 63.200 -0.185 0.000 0.867 927 S HN 0.250 nan 8.310 nan 0.000 0.449 928 E N 0.401 120.390 120.200 -0.351 0.000 2.150 928 E HA -0.010 4.341 4.350 0.001 0.000 0.193 928 E C 1.923 178.491 176.600 -0.054 0.000 0.985 928 E CA 1.023 57.246 56.400 -0.295 0.000 0.814 928 E CB -0.342 29.028 29.700 -0.549 0.000 0.752 928 E HN 0.443 nan 8.360 nan 0.000 0.466 929 V N 0.682 120.550 119.914 -0.077 0.000 2.261 929 V HA -0.287 3.834 4.120 0.001 0.000 0.246 929 V C 2.286 178.371 176.094 -0.016 0.000 1.047 929 V CA 1.784 64.067 62.300 -0.029 0.000 1.015 929 V CB -1.048 30.742 31.823 -0.055 0.000 0.642 929 V HN 0.419 nan 8.190 nan 0.000 0.446 930 A N 0.464 123.243 122.820 -0.068 0.000 1.842 930 A HA -0.305 4.016 4.320 0.001 0.000 0.217 930 A C 2.215 179.744 177.584 -0.092 0.000 1.206 930 A CA 2.528 54.486 52.037 -0.131 0.000 0.630 930 A CB -0.680 18.249 19.000 -0.118 0.000 0.839 930 A HN 0.576 nan 8.150 nan 0.000 0.447 931 K N -1.509 118.879 120.400 -0.019 0.000 2.001 931 K HA -0.238 4.083 4.320 0.001 0.000 0.223 931 K C 1.724 178.353 176.600 0.048 0.000 1.055 931 K CA 1.962 58.258 56.287 0.015 0.000 0.965 931 K CB -0.675 31.767 32.500 -0.097 0.000 0.730 931 K HN 0.371 nan 8.250 nan 0.000 0.449 932 F N 1.384 121.312 119.950 -0.036 0.000 2.236 932 F HA -0.146 4.382 4.527 0.001 0.000 0.302 932 F C 2.061 177.865 175.800 0.008 0.000 1.073 932 F CA 1.161 59.146 58.000 -0.025 0.000 1.336 932 F CB -0.205 38.761 39.000 -0.056 0.000 1.040 932 F HN 0.019 nan 8.300 nan 0.000 0.507 933 L N -2.312 119.018 121.223 0.178 0.000 2.313 933 L HA -0.156 4.185 4.340 0.001 0.000 0.214 933 L C 2.037 179.031 176.870 0.205 0.000 1.119 933 L CA 0.822 55.739 54.840 0.128 0.000 0.809 933 L CB -0.432 41.666 42.059 0.066 0.000 0.933 933 L HN 0.131 nan 8.230 nan 0.000 0.449 934 F N -1.075 118.963 119.950 0.146 0.000 2.446 934 F HA 0.013 4.541 4.527 0.001 0.000 0.292 934 F C 2.194 178.012 175.800 0.029 0.000 1.096 934 F CA -0.100 57.946 58.000 0.076 0.000 1.438 934 F CB 0.426 39.416 39.000 -0.017 0.000 1.107 934 F HN -0.116 nan 8.300 nan 0.000 0.546 935 R N 0.697 121.314 120.500 0.195 0.000 2.552 935 R HA 0.264 4.605 4.340 0.001 0.000 0.314 935 R C -0.235 176.088 176.300 0.040 0.000 1.041 935 R CA -0.152 55.974 56.100 0.044 0.000 1.076 935 R CB -0.019 30.224 30.300 -0.096 0.000 1.290 935 R HN 0.170 nan 8.270 nan 0.000 0.563 936 L N 0.005 121.315 121.223 0.146 0.000 2.454 936 L HA 0.411 4.752 4.340 0.001 0.000 0.256 936 L C -0.654 176.286 176.870 0.116 0.000 1.136 936 L CA -0.385 54.559 54.840 0.172 0.000 0.804 936 L CB 0.868 43.071 42.059 0.240 0.000 1.181 936 L HN 0.006 nan 8.230 nan 0.000 0.469 937 K N 1.973 122.437 120.400 0.108 0.000 2.656 937 K HA 0.313 4.633 4.320 0.001 0.000 0.241 937 K C -1.405 175.237 176.600 0.070 0.000 0.967 937 K CA -0.607 55.726 56.287 0.078 0.000 0.946 937 K CB 1.842 34.378 32.500 0.060 0.000 1.164 937 K HN 0.276 nan 8.250 nan 0.000 0.459 938 V N 3.113 123.063 119.914 0.060 0.000 2.409 938 V HA 0.332 4.453 4.120 0.001 0.000 0.270 938 V C 0.423 176.530 176.094 0.022 0.000 1.019 938 V CA 0.858 63.179 62.300 0.036 0.000 1.066 938 V CB -0.155 31.686 31.823 0.031 0.000 1.021 938 V HN 0.946 nan 8.190 nan 0.000 0.476 939 E N 0.000 120.207 120.200 0.011 0.000 2.725 939 E HA 0.000 4.351 4.350 0.001 0.000 0.291 939 E CA 0.000 56.403 56.400 0.006 0.000 0.976 939 E CB 0.000 29.710 29.700 0.017 0.000 0.812 939 E HN 0.000 nan 8.360 nan 0.000 0.440