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 1p2d_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND XXLXXXXXGG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVIP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPAP 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.985 176.000 -0.025 0.000 1.003 12 Q CA 0.000 55.777 55.803 -0.044 0.000 1.022 12 Q CB 0.000 28.708 28.738 -0.050 0.000 1.108 13 I N 0.116 120.677 120.570 -0.015 0.000 2.460 13 I HA 0.567 4.733 4.170 -0.007 0.000 0.298 13 I C 0.996 177.115 176.117 0.003 0.000 0.989 13 I CA -0.142 61.157 61.300 -0.002 0.000 1.173 13 I CB 1.956 39.959 38.000 0.006 0.000 1.338 13 I HN 0.382 nan 8.210 nan 0.000 0.456 14 S N 4.233 119.940 115.700 0.011 0.000 2.389 14 S HA -0.222 4.244 4.470 -0.007 0.000 0.229 14 S C 1.799 176.411 174.600 0.020 0.000 1.048 14 S CA 2.640 60.849 58.200 0.015 0.000 1.117 14 S CB -0.680 62.535 63.200 0.024 0.000 1.020 14 S HN 0.879 nan 8.310 nan 0.000 0.430 15 V N 0.065 119.999 119.914 0.034 0.000 3.140 15 V HA 0.025 4.141 4.120 -0.007 0.000 0.269 15 V C 1.878 177.989 176.094 0.029 0.000 1.149 15 V CA 1.746 64.070 62.300 0.040 0.000 1.162 15 V CB -1.139 30.717 31.823 0.056 0.000 0.756 15 V HN 0.410 nan 8.190 nan 0.000 0.523 16 R N 1.138 121.646 120.500 0.013 0.000 2.356 16 R HA 0.436 4.771 4.340 -0.007 0.000 0.234 16 R C 1.162 177.454 176.300 -0.013 0.000 0.929 16 R CA 0.518 56.619 56.100 0.001 0.000 1.084 16 R CB -0.007 30.290 30.300 -0.005 0.000 1.105 16 R HN 0.778 nan 8.270 nan 0.000 0.515 17 G N 0.700 109.492 108.800 -0.014 0.000 2.760 17 G HA2 -0.230 3.726 3.960 -0.007 0.000 0.246 17 G HA3 -0.230 3.726 3.960 -0.007 0.000 0.246 17 G C -0.804 174.081 174.900 -0.026 0.000 1.359 17 G CA -1.026 44.056 45.100 -0.029 0.000 0.861 17 G HN -0.004 nan 8.290 nan 0.000 0.541 18 L N 0.161 121.365 121.223 -0.031 0.000 2.379 18 L HA 0.721 5.057 4.340 -0.007 0.000 0.269 18 L C 1.113 177.968 176.870 -0.026 0.000 1.084 18 L CA 0.178 55.003 54.840 -0.025 0.000 0.802 18 L CB 1.156 43.202 42.059 -0.022 0.000 1.175 18 L HN 1.590 nan 8.230 nan 0.000 0.448 19 A N 1.712 124.521 122.820 -0.020 0.000 3.047 19 A HA 0.592 4.907 4.320 -0.007 0.000 0.337 19 A C 0.618 178.197 177.584 -0.008 0.000 1.143 19 A CA -0.363 51.664 52.037 -0.016 0.000 0.905 19 A CB -0.195 18.795 19.000 -0.016 0.000 1.088 19 A HN 0.794 nan 8.150 nan 0.000 0.488 20 G N -0.139 108.656 108.800 -0.008 0.000 2.491 20 G HA2 0.355 4.311 3.960 -0.007 0.000 0.242 20 G HA3 0.355 4.311 3.960 -0.007 0.000 0.242 20 G C 1.059 175.963 174.900 0.006 0.000 1.266 20 G CA 0.056 45.155 45.100 -0.001 0.000 0.844 20 G HN 0.476 nan 8.290 nan 0.000 0.571 21 V N 1.885 121.803 119.914 0.007 0.000 2.250 21 V HA -0.240 3.875 4.120 -0.007 0.000 0.250 21 V C 2.721 178.825 176.094 0.017 0.000 1.060 21 V CA 2.566 64.873 62.300 0.011 0.000 1.030 21 V CB -0.750 31.079 31.823 0.010 0.000 0.643 21 V HN 0.789 nan 8.190 nan 0.000 0.445 22 E N 0.206 120.417 120.200 0.017 0.000 2.051 22 E HA -0.189 4.156 4.350 -0.007 0.000 0.192 22 E C 2.088 178.709 176.600 0.035 0.000 0.991 22 E CA 1.612 58.026 56.400 0.024 0.000 0.799 22 E CB -0.345 29.369 29.700 0.023 0.000 0.748 22 E HN 0.616 nan 8.360 nan 0.000 0.449 23 N N -0.717 118.001 118.700 0.031 0.000 2.043 23 N HA -0.154 4.581 4.740 -0.007 0.000 0.193 23 N C 1.644 177.181 175.510 0.045 0.000 1.037 23 N CA 1.402 54.476 53.050 0.039 0.000 0.851 23 N CB -0.201 38.293 38.487 0.012 0.000 1.027 23 N HN -0.022 nan 8.380 nan 0.000 0.422 24 V N 0.196 120.128 119.914 0.029 0.000 2.287 24 V HA -0.248 3.868 4.120 -0.007 0.000 0.248 24 V C 2.059 178.177 176.094 0.039 0.000 1.053 24 V CA 2.025 64.343 62.300 0.029 0.000 1.027 24 V CB -1.040 30.795 31.823 0.020 0.000 0.646 24 V HN 0.425 nan 8.190 nan 0.000 0.447 25 T N -0.513 114.063 114.554 0.036 0.000 2.720 25 T HA -0.243 4.102 4.350 -0.007 0.000 0.268 25 T C 1.924 176.658 174.700 0.056 0.000 1.037 25 T CA 1.831 63.953 62.100 0.038 0.000 1.144 25 T CB -0.246 68.641 68.868 0.030 0.000 0.864 25 T HN 0.473 nan 8.240 nan 0.000 0.444 26 E N 0.668 120.909 120.200 0.068 0.000 2.077 26 E HA -0.065 4.281 4.350 -0.007 0.000 0.193 26 E C 1.912 178.588 176.600 0.128 0.000 0.989 26 E CA 0.705 57.159 56.400 0.090 0.000 0.800 26 E CB -0.482 29.279 29.700 0.102 0.000 0.746 26 E HN 0.194 nan 8.360 nan 0.000 0.452 27 L N 0.866 122.173 121.223 0.140 0.000 2.017 27 L HA -0.130 4.206 4.340 -0.007 0.000 0.208 27 L C 2.110 179.089 176.870 0.181 0.000 1.073 27 L CA 1.830 56.778 54.840 0.180 0.000 0.745 27 L CB -0.754 41.384 42.059 0.132 0.000 0.894 27 L HN 0.087 nan 8.230 nan 0.000 0.432 28 K N -0.559 119.907 120.400 0.110 0.000 2.063 28 K HA -0.239 4.077 4.320 -0.007 0.000 0.208 28 K C 2.119 178.819 176.600 0.167 0.000 1.048 28 K CA 1.563 57.907 56.287 0.096 0.000 0.928 28 K CB -0.201 32.313 32.500 0.024 0.000 0.713 28 K HN 0.185 nan 8.250 nan 0.000 0.442 29 K N 1.024 121.499 120.400 0.125 0.000 2.032 29 K HA -0.160 4.155 4.320 -0.007 0.000 0.209 29 K C 1.760 178.441 176.600 0.135 0.000 1.048 29 K CA 1.595 57.948 56.287 0.110 0.000 0.927 29 K CB 0.013 32.557 32.500 0.073 0.000 0.712 29 K HN 0.099 nan 8.250 nan 0.000 0.441 30 N N 0.007 118.799 118.700 0.152 0.000 2.331 30 N HA -0.141 4.595 4.740 -0.007 0.000 0.180 30 N C 1.626 177.279 175.510 0.239 0.000 1.019 30 N CA 0.881 54.015 53.050 0.140 0.000 0.881 30 N CB -0.197 38.380 38.487 0.150 0.000 0.972 30 N HN 0.208 nan 8.380 nan 0.000 0.435 31 F N 2.603 122.645 119.950 0.153 0.000 2.102 31 F HA -0.074 4.449 4.527 -0.007 0.000 0.298 31 F C 1.951 177.850 175.800 0.165 0.000 1.105 31 F CA 1.255 59.362 58.000 0.177 0.000 1.239 31 F CB -0.166 38.908 39.000 0.123 0.000 0.991 31 F HN -0.048 nan 8.300 nan 0.000 0.474 32 N N 0.493 119.409 118.700 0.360 0.000 2.309 32 N HA -0.171 4.565 4.740 -0.007 0.000 0.182 32 N C 1.981 177.558 175.510 0.112 0.000 1.018 32 N CA 1.017 54.198 53.050 0.219 0.000 0.876 32 N CB -0.507 38.092 38.487 0.187 0.000 0.972 32 N HN 0.397 nan 8.380 nan 0.000 0.434 33 R N 0.317 120.884 120.500 0.112 0.000 2.062 33 R HA -0.080 4.256 4.340 -0.007 0.000 0.231 33 R C 1.815 178.190 176.300 0.125 0.000 1.136 33 R CA 1.433 57.621 56.100 0.148 0.000 0.948 33 R CB -0.221 30.100 30.300 0.035 0.000 0.845 33 R HN 0.344 nan 8.270 nan 0.000 0.430 34 H N -0.307 118.799 119.070 0.059 0.000 2.387 34 H HA -0.132 4.420 4.556 -0.007 0.000 0.299 34 H C 1.895 177.155 175.328 -0.113 0.000 1.090 34 H CA 1.478 57.498 56.048 -0.047 0.000 1.332 34 H CB 0.047 29.743 29.762 -0.111 0.000 1.386 34 H HN 0.138 nan 8.280 nan 0.000 0.516 35 L N 0.022 121.223 121.223 -0.038 0.000 2.042 35 L HA -0.206 4.130 4.340 -0.007 0.000 0.210 35 L C 2.213 179.059 176.870 -0.040 0.000 1.076 35 L CA 1.913 56.703 54.840 -0.084 0.000 0.749 35 L CB -0.491 41.523 42.059 -0.076 0.000 0.893 35 L HN 0.300 nan 8.230 nan 0.000 0.432 36 H N -1.594 117.388 119.070 -0.146 0.000 2.276 36 H HA -0.077 4.475 4.556 -0.007 0.000 0.307 36 H C 1.806 176.927 175.328 -0.345 0.000 1.061 36 H CA 2.370 58.238 56.048 -0.300 0.000 1.336 36 H CB -0.323 29.149 29.762 -0.483 0.000 1.396 36 H HN 0.302 nan 8.280 nan 0.000 0.503 37 F N -0.365 119.553 119.950 -0.053 0.000 2.234 37 F HA -0.029 4.494 4.527 -0.007 0.000 0.296 37 F C 2.639 178.357 175.800 -0.135 0.000 1.089 37 F CA 1.418 59.341 58.000 -0.127 0.000 1.343 37 F CB -0.515 38.451 39.000 -0.057 0.000 1.040 37 F HN 0.179 nan 8.300 nan 0.000 0.498 38 T N -0.172 114.416 114.554 0.057 0.000 2.814 38 T HA -0.006 4.339 4.350 -0.007 0.000 0.254 38 T C 1.689 176.299 174.700 -0.149 0.000 1.037 38 T CA 0.826 62.883 62.100 -0.071 0.000 1.143 38 T CB -0.261 68.520 68.868 -0.145 0.000 0.866 38 T HN -0.055 nan 8.240 nan 0.000 0.431 39 L N 1.011 122.147 121.223 -0.145 0.000 2.509 39 L HA 0.278 4.614 4.340 -0.007 0.000 0.222 39 L C 0.665 177.446 176.870 -0.148 0.000 1.123 39 L CA 0.230 54.978 54.840 -0.154 0.000 0.856 39 L CB -0.722 41.256 42.059 -0.134 0.000 0.985 39 L HN 0.031 nan 8.230 nan 0.000 0.456 40 V N 0.216 120.026 119.914 -0.174 0.000 5.949 40 V HA -0.309 3.807 4.120 -0.007 0.000 0.287 40 V C 0.470 176.460 176.094 -0.173 0.000 0.603 40 V CA 0.917 63.087 62.300 -0.217 0.000 0.608 40 V CB -2.081 29.640 31.823 -0.170 0.000 0.259 40 V HN 0.444 nan 8.190 nan 0.000 0.742 41 K N 0.974 121.283 120.400 -0.152 0.000 2.495 41 K HA 0.720 5.035 4.320 -0.007 0.000 0.268 41 K C -0.674 175.903 176.600 -0.039 0.000 1.008 41 K CA -0.590 55.640 56.287 -0.095 0.000 0.882 41 K CB 2.854 35.296 32.500 -0.098 0.000 1.443 41 K HN 0.474 nan 8.250 nan 0.000 0.447 42 D N -0.522 119.874 120.400 -0.007 0.000 2.493 42 D HA 0.257 4.892 4.640 -0.007 0.000 0.239 42 D C 0.636 176.973 176.300 0.061 0.000 1.049 42 D CA -0.669 53.358 54.000 0.045 0.000 1.008 42 D CB 1.351 42.175 40.800 0.040 0.000 1.398 42 D HN 0.205 nan 8.370 nan 0.000 0.513 43 R N 0.028 120.591 120.500 0.105 0.000 2.170 43 R HA -0.069 4.267 4.340 -0.007 0.000 0.242 43 R C 1.194 177.564 176.300 0.116 0.000 1.145 43 R CA 1.315 57.510 56.100 0.158 0.000 0.984 43 R CB -0.538 29.847 30.300 0.142 0.000 0.869 43 R HN 0.448 nan 8.270 nan 0.000 0.455 44 N N -0.800 117.938 118.700 0.063 0.000 2.457 44 N HA -0.069 4.666 4.740 -0.007 0.000 0.180 44 N C 1.094 176.619 175.510 0.025 0.000 1.050 44 N CA 1.416 54.492 53.050 0.044 0.000 0.906 44 N CB 0.485 38.989 38.487 0.028 0.000 0.968 44 N HN 0.301 nan 8.380 nan 0.000 0.445 45 V N -3.327 116.589 119.914 0.004 0.000 3.432 45 V HA 0.536 4.651 4.120 -0.007 0.000 0.298 45 V C 0.707 176.763 176.094 -0.064 0.000 1.464 45 V CA -0.595 61.693 62.300 -0.021 0.000 1.046 45 V CB -0.191 31.616 31.823 -0.025 0.000 0.887 45 V HN 0.022 nan 8.190 nan 0.000 0.441 46 A N 2.072 124.831 122.820 -0.102 0.000 2.425 46 A HA 0.623 4.939 4.320 -0.007 0.000 0.249 46 A C 0.707 178.093 177.584 -0.328 0.000 1.084 46 A CA 0.791 52.655 52.037 -0.288 0.000 0.781 46 A CB 0.014 18.719 19.000 -0.491 0.000 1.019 46 A HN 0.858 nan 8.150 nan 0.000 0.490 47 T N -0.188 114.168 114.554 -0.331 0.000 2.949 47 T HA 0.592 4.938 4.350 -0.007 0.000 0.287 47 T C -2.216 172.370 174.700 -0.190 0.000 1.034 47 T CA -1.784 60.211 62.100 -0.175 0.000 1.018 47 T CB 1.321 70.145 68.868 -0.072 0.000 1.135 47 T HN 0.229 nan 8.240 nan 0.000 0.532 48 P HA -0.106 nan 4.420 nan 0.000 0.216 48 P C 1.616 179.017 177.300 0.169 0.000 1.150 48 P CA 1.002 64.220 63.100 0.196 0.000 0.843 48 P CB 0.060 31.851 31.700 0.151 0.000 0.787 49 R N -0.066 120.484 120.500 0.083 0.000 2.096 49 R HA -0.141 4.194 4.340 -0.007 0.000 0.235 49 R C 1.653 178.118 176.300 0.275 0.000 1.127 49 R CA 1.773 57.966 56.100 0.155 0.000 0.968 49 R CB -0.702 29.618 30.300 0.033 0.000 0.861 49 R HN 0.085 nan 8.270 nan 0.000 0.440 50 D N -0.325 120.117 120.400 0.068 0.000 2.144 50 D HA -0.185 4.451 4.640 -0.007 0.000 0.199 50 D C 1.672 178.004 176.300 0.053 0.000 0.984 50 D CA 1.271 55.272 54.000 0.003 0.000 0.834 50 D CB -0.262 40.397 40.800 -0.235 0.000 0.955 50 D HN 0.308 nan 8.370 nan 0.000 0.465 51 Y N -0.036 120.372 120.300 0.181 0.000 2.242 51 Y HA -0.183 4.363 4.550 -0.007 0.000 0.291 51 Y C 2.292 178.329 175.900 0.228 0.000 1.137 51 Y CA 0.199 58.449 58.100 0.249 0.000 1.181 51 Y CB -1.118 37.539 38.460 0.329 0.000 0.989 51 Y HN 0.086 nan 8.280 nan 0.000 0.527 52 Y N -0.476 119.972 120.300 0.245 0.000 2.145 52 Y HA -0.277 4.269 4.550 -0.007 0.000 0.286 52 Y C 1.972 177.848 175.900 -0.041 0.000 1.145 52 Y CA 1.303 59.443 58.100 0.067 0.000 1.148 52 Y CB -1.165 37.234 38.460 -0.101 0.000 0.981 52 Y HN 0.036 nan 8.280 nan 0.000 0.507 53 F N 0.286 120.021 119.950 -0.358 0.000 2.216 53 F HA -0.144 4.379 4.527 -0.007 0.000 0.300 53 F C 2.617 178.259 175.800 -0.265 0.000 1.085 53 F CA 1.290 59.027 58.000 -0.438 0.000 1.326 53 F CB -0.752 38.179 39.000 -0.116 0.000 1.027 53 F HN 0.218 nan 8.300 nan 0.000 0.497 54 A N -0.278 122.491 122.820 -0.086 0.000 1.898 54 A HA -0.153 4.162 4.320 -0.007 0.000 0.216 54 A C 2.045 179.511 177.584 -0.197 0.000 1.181 54 A CA 1.425 53.286 52.037 -0.295 0.000 0.620 54 A CB -0.923 17.554 19.000 -0.872 0.000 0.819 54 A HN 0.340 nan 8.150 nan 0.000 0.442 55 L N -0.246 120.977 121.223 -0.001 0.000 2.056 55 L HA 0.016 4.352 4.340 -0.007 0.000 0.207 55 L C 2.652 179.507 176.870 -0.025 0.000 1.078 55 L CA 2.115 57.071 54.840 0.194 0.000 0.749 55 L CB -0.921 41.308 42.059 0.285 0.000 0.901 55 L HN 0.329 nan 8.230 nan 0.000 0.433 56 A N -1.127 121.494 122.820 -0.331 0.000 1.883 56 A HA -0.291 4.025 4.320 -0.007 0.000 0.217 56 A C 2.155 179.398 177.584 -0.568 0.000 1.186 56 A CA 2.066 53.792 52.037 -0.518 0.000 0.624 56 A CB -1.151 17.204 19.000 -1.075 0.000 0.822 56 A HN 0.679 nan 8.150 nan 0.000 0.444 57 H N -0.892 117.869 119.070 -0.515 0.000 2.421 57 H HA -0.053 4.498 4.556 -0.007 0.000 0.298 57 H C 2.297 177.369 175.328 -0.428 0.000 1.087 57 H CA 1.909 57.583 56.048 -0.623 0.000 1.330 57 H CB -0.107 29.028 29.762 -1.045 0.000 1.388 57 H HN 0.471 nan 8.280 nan 0.000 0.526 58 T N -0.454 114.063 114.554 -0.062 0.000 2.777 58 T HA -0.113 4.233 4.350 -0.007 0.000 0.266 58 T C 2.246 177.104 174.700 0.263 0.000 1.040 58 T CA 1.258 63.489 62.100 0.219 0.000 1.141 58 T CB -0.308 68.752 68.868 0.320 0.000 0.868 58 T HN 0.098 nan 8.240 nan 0.000 0.444 59 V N 1.619 121.665 119.914 0.221 0.000 2.358 59 V HA -0.118 3.997 4.120 -0.007 0.000 0.246 59 V C 2.602 178.877 176.094 0.300 0.000 1.047 59 V CA 1.596 64.075 62.300 0.297 0.000 1.035 59 V CB -0.641 31.356 31.823 0.289 0.000 0.658 59 V HN 0.372 nan 8.190 nan 0.000 0.452 60 R N 0.330 120.953 120.500 0.205 0.000 2.103 60 R HA -0.241 4.094 4.340 -0.007 0.000 0.242 60 R C 1.997 178.400 176.300 0.171 0.000 1.142 60 R CA 2.291 58.508 56.100 0.194 0.000 0.960 60 R CB -0.486 29.765 30.300 -0.081 0.000 0.858 60 R HN 0.473 nan 8.270 nan 0.000 0.439 61 D N -0.052 120.428 120.400 0.133 0.000 2.133 61 D HA -0.192 4.444 4.640 -0.007 0.000 0.195 61 D C 1.797 178.120 176.300 0.039 0.000 0.997 61 D CA 1.267 55.319 54.000 0.087 0.000 0.840 61 D CB -0.518 40.317 40.800 0.059 0.000 0.947 61 D HN 0.453 nan 8.370 nan 0.000 0.452 62 H N -0.628 118.510 119.070 0.114 0.000 2.518 62 H HA -0.063 4.489 4.556 -0.007 0.000 0.289 62 H C 1.991 177.364 175.328 0.076 0.000 1.051 62 H CA 0.433 56.532 56.048 0.084 0.000 1.280 62 H CB 0.166 29.969 29.762 0.069 0.000 1.380 62 H HN 0.123 nan 8.280 nan 0.000 0.566 63 L N 0.818 122.158 121.223 0.194 0.000 2.249 63 L HA -0.072 4.263 4.340 -0.007 0.000 0.207 63 L C 2.624 179.608 176.870 0.191 0.000 1.090 63 L CA 0.644 55.567 54.840 0.137 0.000 0.802 63 L CB -0.474 41.642 42.059 0.094 0.000 0.947 63 L HN 0.073 nan 8.230 nan 0.000 0.453 64 V N -2.431 117.621 119.914 0.230 0.000 2.287 64 V HA -0.146 3.969 4.120 -0.007 0.000 0.248 64 V C 2.323 178.545 176.094 0.213 0.000 1.053 64 V CA 1.932 64.408 62.300 0.292 0.000 1.027 64 V CB -2.132 29.816 31.823 0.208 0.000 0.646 64 V HN 0.369 nan 8.190 nan 0.000 0.447 65 G N 0.319 109.197 108.800 0.130 0.000 2.446 65 G HA2 -0.237 3.718 3.960 -0.007 0.000 0.217 65 G HA3 -0.237 3.718 3.960 -0.007 0.000 0.217 65 G C 1.770 176.725 174.900 0.092 0.000 1.168 65 G CA 1.022 46.173 45.100 0.085 0.000 0.771 65 G HN 0.561 nan 8.290 nan 0.000 0.551 66 R N -1.430 119.134 120.500 0.106 0.000 2.092 66 R HA -0.072 4.264 4.340 -0.007 0.000 0.231 66 R C 2.276 178.665 176.300 0.148 0.000 1.119 66 R CA 1.096 57.244 56.100 0.081 0.000 0.970 66 R CB -0.368 29.962 30.300 0.051 0.000 0.864 66 R HN 0.473 nan 8.270 nan 0.000 0.440 67 W N 1.787 123.076 121.300 -0.019 0.000 2.355 67 W HA -0.074 4.582 4.660 -0.007 0.000 0.309 67 W C 1.729 178.232 176.519 -0.027 0.000 1.206 67 W CA 0.881 58.214 57.345 -0.020 0.000 1.284 67 W CB -0.547 28.919 29.460 0.011 0.000 1.145 67 W HN -0.043 nan 8.180 nan 0.000 0.502 68 I N 0.972 121.613 120.570 0.119 0.000 2.252 68 I HA -0.321 3.844 4.170 -0.007 0.000 0.245 68 I C 2.611 178.720 176.117 -0.013 0.000 1.102 68 I CA 1.934 63.217 61.300 -0.030 0.000 1.385 68 I CB -0.577 37.407 38.000 -0.026 0.000 1.064 68 I HN -0.019 nan 8.210 nan 0.000 0.414 69 R N 0.068 120.575 120.500 0.011 0.000 2.193 69 R HA -0.005 4.331 4.340 -0.007 0.000 0.213 69 R C 1.872 178.144 176.300 -0.047 0.000 1.055 69 R CA 1.204 57.300 56.100 -0.008 0.000 0.995 69 R CB -0.972 29.322 30.300 -0.011 0.000 0.893 69 R HN 0.156 nan 8.270 nan 0.000 0.459 70 T N 1.507 116.016 114.554 -0.075 0.000 2.737 70 T HA -0.085 4.260 4.350 -0.007 0.000 0.265 70 T C 1.769 176.222 174.700 -0.412 0.000 1.038 70 T CA 1.202 63.153 62.100 -0.248 0.000 1.144 70 T CB -0.084 68.679 68.868 -0.175 0.000 0.866 70 T HN 0.210 nan 8.240 nan 0.000 0.434 71 Q N 0.881 120.582 119.800 -0.166 0.000 2.124 71 Q HA -0.096 4.239 4.340 -0.007 0.000 0.202 71 Q C 2.333 178.351 176.000 0.031 0.000 0.977 71 Q CA 1.329 57.107 55.803 -0.042 0.000 0.850 71 Q CB -0.540 28.205 28.738 0.012 0.000 0.901 71 Q HN 0.475 nan 8.270 nan 0.000 0.429 72 Q N 0.006 119.819 119.800 0.022 0.000 2.124 72 Q HA -0.179 4.157 4.340 -0.007 0.000 0.202 72 Q C 1.892 177.984 176.000 0.155 0.000 0.977 72 Q CA 1.820 57.685 55.803 0.103 0.000 0.850 72 Q CB -0.344 28.436 28.738 0.070 0.000 0.901 72 Q HN 0.536 nan 8.270 nan 0.000 0.429 73 H N -0.892 118.151 119.070 -0.045 0.000 2.290 73 H HA -0.173 4.378 4.556 -0.007 0.000 0.298 73 H C 1.166 176.549 175.328 0.091 0.000 1.087 73 H CA 2.294 58.319 56.048 -0.038 0.000 1.291 73 H CB -0.395 29.270 29.762 -0.162 0.000 1.369 73 H HN 0.356 nan 8.280 nan 0.000 0.492 74 Y N -1.008 119.321 120.300 0.048 0.000 2.274 74 Y HA -0.197 4.349 4.550 -0.007 0.000 0.290 74 Y C 2.432 178.361 175.900 0.047 0.000 1.145 74 Y CA 1.077 59.175 58.100 -0.003 0.000 1.203 74 Y CB -1.308 37.218 38.460 0.111 0.000 0.984 74 Y HN 0.365 nan 8.280 nan 0.000 0.533 75 Y N 1.016 121.393 120.300 0.128 0.000 2.242 75 Y HA -0.157 4.389 4.550 -0.007 0.000 0.291 75 Y C 1.934 177.843 175.900 0.015 0.000 1.137 75 Y CA 1.573 59.712 58.100 0.066 0.000 1.181 75 Y CB -0.239 38.251 38.460 0.049 0.000 0.989 75 Y HN 0.212 nan 8.280 nan 0.000 0.527 76 E N -0.623 119.531 120.200 -0.077 0.000 2.086 76 E HA -0.109 4.237 4.350 -0.007 0.000 0.190 76 E C 1.867 178.368 176.600 -0.164 0.000 0.975 76 E CA 0.826 57.123 56.400 -0.171 0.000 0.813 76 E CB 0.073 29.744 29.700 -0.048 0.000 0.768 76 E HN 0.181 nan 8.360 nan 0.000 0.457 77 K N 0.738 121.034 120.400 -0.172 0.000 2.365 77 K HA -0.042 4.274 4.320 -0.007 0.000 0.197 77 K C -0.013 176.526 176.600 -0.101 0.000 1.042 77 K CA 0.440 56.634 56.287 -0.154 0.000 0.987 77 K CB -0.145 32.206 32.500 -0.249 0.000 0.779 77 K HN 0.054 nan 8.250 nan 0.000 0.484 78 D N 1.113 121.466 120.400 -0.078 0.000 2.735 78 D HA -0.116 4.520 4.640 -0.007 0.000 0.235 78 D C -2.261 174.017 176.300 -0.036 0.000 1.175 78 D CA 0.088 54.061 54.000 -0.045 0.000 0.683 78 D CB -0.140 40.610 40.800 -0.083 0.000 1.008 78 D HN 0.179 nan 8.370 nan 0.000 0.416 79 P HA 0.091 nan 4.420 nan 0.000 0.277 79 P C -0.222 177.037 177.300 -0.070 0.000 1.271 79 P CA -0.623 62.442 63.100 -0.057 0.000 0.795 79 P CB 0.657 32.310 31.700 -0.078 0.000 1.101 80 K N 1.105 121.464 120.400 -0.068 0.000 2.412 80 K HA 0.076 4.391 4.320 -0.007 0.000 0.281 80 K C -0.036 176.469 176.600 -0.159 0.000 1.027 80 K CA -0.102 56.135 56.287 -0.084 0.000 0.989 80 K CB 0.241 32.707 32.500 -0.056 0.000 0.935 80 K HN 0.242 nan 8.250 nan 0.000 0.475 81 R N 3.423 123.804 120.500 -0.199 0.000 2.404 81 R HA 0.355 4.691 4.340 -0.007 0.000 0.291 81 R C -0.481 175.506 176.300 -0.522 0.000 1.025 81 R CA -0.413 55.475 56.100 -0.354 0.000 0.991 81 R CB 0.801 30.854 30.300 -0.412 0.000 1.053 81 R HN 0.509 nan 8.270 nan 0.000 0.479 82 I N 4.245 124.466 120.570 -0.582 0.000 2.362 82 I HA 0.226 4.392 4.170 -0.007 0.000 0.289 82 I C -0.765 175.032 176.117 -0.533 0.000 0.994 82 I CA -0.756 60.157 61.300 -0.645 0.000 1.158 82 I CB 1.031 38.547 38.000 -0.807 0.000 1.315 82 I HN 0.521 nan 8.210 nan 0.000 0.451 83 Y N 5.894 126.163 120.300 -0.053 0.000 2.356 83 Y HA 0.286 4.831 4.550 -0.007 0.000 0.334 83 Y C -0.297 175.716 175.900 0.188 0.000 0.958 83 Y CA -0.791 57.410 58.100 0.168 0.000 1.196 83 Y CB 1.158 39.689 38.460 0.118 0.000 1.137 83 Y HN 0.385 nan 8.280 nan 0.000 0.485 84 Y N 4.781 125.276 120.300 0.325 0.000 2.518 84 Y HA 0.446 4.992 4.550 -0.007 0.000 0.344 84 Y C -0.744 175.427 175.900 0.450 0.000 0.982 84 Y CA -0.765 57.529 58.100 0.324 0.000 1.234 84 Y CB 0.301 38.954 38.460 0.322 0.000 1.114 84 Y HN 0.526 nan 8.280 nan 0.000 0.515 85 L N 5.380 126.656 121.223 0.089 0.000 2.281 85 L HA 0.412 4.747 4.340 -0.007 0.000 0.285 85 L C 0.009 176.895 176.870 0.026 0.000 1.074 85 L CA -0.214 54.729 54.840 0.172 0.000 0.817 85 L CB 0.892 43.020 42.059 0.115 0.000 1.168 85 L HN 0.562 nan 8.230 nan 0.000 0.434 86 S N 2.584 118.396 115.700 0.186 0.000 2.536 86 S HA 0.425 4.890 4.470 -0.007 0.000 0.271 86 S C 0.019 174.729 174.600 0.184 0.000 1.134 86 S CA -0.578 57.638 58.200 0.027 0.000 0.897 86 S CB 1.608 64.613 63.200 -0.326 0.000 1.094 86 S HN 0.496 nan 8.310 nan 0.000 0.473 87 L N 2.854 124.216 121.223 0.233 0.000 2.591 87 L HA 0.455 4.790 4.340 -0.007 0.000 0.228 87 L C 0.276 177.363 176.870 0.363 0.000 1.133 87 L CA 0.967 56.015 54.840 0.347 0.000 0.880 87 L CB -0.126 42.154 42.059 0.369 0.000 1.033 87 L HN 0.651 nan 8.230 nan 0.000 0.450 88 E N -1.284 118.999 120.200 0.138 0.000 2.292 88 E HA 0.402 4.748 4.350 -0.007 0.000 0.272 88 E C -1.376 175.107 176.600 -0.194 0.000 0.881 88 E CA -0.432 56.022 56.400 0.091 0.000 0.754 88 E CB 1.874 31.595 29.700 0.035 0.000 1.201 88 E HN -0.163 nan 8.360 nan 0.000 0.425 89 F N 2.166 122.228 119.950 0.186 0.000 2.949 89 F HA 0.167 4.689 4.527 -0.007 0.000 0.376 89 F C -0.852 175.038 175.800 0.151 0.000 1.205 89 F CA -0.725 57.375 58.000 0.167 0.000 1.155 89 F CB 0.905 39.999 39.000 0.157 0.000 1.495 89 F HN 0.497 nan 8.300 nan 0.000 0.551 90 Y N 5.041 125.412 120.300 0.119 0.000 2.570 90 Y HA 0.168 4.714 4.550 -0.007 0.000 0.336 90 Y C 1.125 177.047 175.900 0.038 0.000 1.284 90 Y CA -0.839 57.284 58.100 0.038 0.000 1.761 90 Y CB 0.221 38.685 38.460 0.008 0.000 1.724 90 Y HN 0.525 nan 8.280 nan 0.000 0.455 91 M N 1.053 120.777 119.600 0.208 0.000 2.254 91 M HA 0.089 4.565 4.480 -0.007 0.000 0.265 91 M C 1.614 177.891 176.300 -0.038 0.000 1.066 91 M CA 1.132 56.470 55.300 0.062 0.000 1.123 91 M CB -1.271 31.345 32.600 0.027 0.000 1.388 91 M HN 0.655 nan 8.290 nan 0.000 0.425 92 G N 1.014 109.796 108.800 -0.031 0.000 2.562 92 G HA2 -0.267 3.688 3.960 -0.007 0.000 0.250 92 G HA3 -0.267 3.688 3.960 -0.007 0.000 0.250 92 G C -0.265 174.588 174.900 -0.078 0.000 1.269 92 G CA -0.276 44.771 45.100 -0.089 0.000 0.919 92 G HN 0.433 nan 8.290 nan 0.000 0.574 93 R N -0.793 119.644 120.500 -0.106 0.000 2.560 93 R HA 0.582 4.918 4.340 -0.007 0.000 0.270 93 R C 1.085 177.272 176.300 -0.189 0.000 1.074 93 R CA 0.340 56.387 56.100 -0.087 0.000 1.140 93 R CB 0.690 30.945 30.300 -0.074 0.000 1.073 93 R HN 0.522 nan 8.270 nan 0.000 0.527 94 T N 1.007 115.401 114.554 -0.268 0.000 2.969 94 T HA -0.000 4.346 4.350 -0.007 0.000 0.250 94 T C 1.384 175.690 174.700 -0.657 0.000 1.021 94 T CA -0.185 61.541 62.100 -0.623 0.000 1.003 94 T CB 0.151 68.275 68.868 -1.241 0.000 1.040 94 T HN 0.300 nan 8.240 nan 0.000 0.492 95 L N 2.038 123.113 121.223 -0.246 0.000 1.955 95 L HA -0.056 4.280 4.340 -0.007 0.000 0.213 95 L C 2.450 179.285 176.870 -0.058 0.000 1.072 95 L CA 2.043 56.892 54.840 0.015 0.000 0.755 95 L CB -0.751 41.521 42.059 0.355 0.000 0.888 95 L HN 0.180 nan 8.230 nan 0.000 0.432 96 Q N -0.787 118.982 119.800 -0.051 0.000 2.084 96 Q HA -0.259 4.077 4.340 -0.007 0.000 0.202 96 Q C 2.233 178.163 176.000 -0.115 0.000 0.978 96 Q CA 1.872 57.636 55.803 -0.064 0.000 0.844 96 Q CB -0.326 28.371 28.738 -0.068 0.000 0.898 96 Q HN 0.691 nan 8.270 nan 0.000 0.426 97 N N -0.892 117.700 118.700 -0.180 0.000 2.149 97 N HA -0.147 4.589 4.740 -0.007 0.000 0.188 97 N C 1.356 176.760 175.510 -0.177 0.000 1.019 97 N CA 1.807 54.741 53.050 -0.193 0.000 0.857 97 N CB 0.049 38.387 38.487 -0.248 0.000 0.997 97 N HN 0.220 nan 8.380 nan 0.000 0.426 98 T N 1.260 115.675 114.554 -0.232 0.000 2.777 98 T HA -0.035 4.311 4.350 -0.007 0.000 0.266 98 T C 2.081 176.719 174.700 -0.102 0.000 1.040 98 T CA 1.034 63.014 62.100 -0.199 0.000 1.141 98 T CB -0.052 68.649 68.868 -0.278 0.000 0.868 98 T HN 0.267 nan 8.240 nan 0.000 0.444 99 M N 0.625 120.182 119.600 -0.071 0.000 2.117 99 M HA -0.081 4.394 4.480 -0.007 0.000 0.262 99 M C 2.470 178.737 176.300 -0.055 0.000 1.065 99 M CA 1.208 56.480 55.300 -0.047 0.000 1.114 99 M CB -0.672 31.916 32.600 -0.020 0.000 1.361 99 M HN 0.100 nan 8.290 nan 0.000 0.408 100 V N 0.992 120.879 119.914 -0.044 0.000 2.255 100 V HA -0.277 3.838 4.120 -0.007 0.000 0.247 100 V C 1.767 177.867 176.094 0.010 0.000 1.051 100 V CA 2.040 64.340 62.300 -0.000 0.000 1.018 100 V CB -0.915 30.914 31.823 0.010 0.000 0.641 100 V HN 0.469 nan 8.190 nan 0.000 0.445 101 N N -0.345 118.350 118.700 -0.009 0.000 2.453 101 N HA -0.057 4.678 4.740 -0.007 0.000 0.183 101 N C 1.034 176.443 175.510 -0.168 0.000 1.041 101 N CA 0.739 53.760 53.050 -0.049 0.000 0.900 101 N CB -0.115 38.357 38.487 -0.025 0.000 0.961 101 N HN 0.289 nan 8.380 nan 0.000 0.443 102 L N -0.383 120.760 121.223 -0.132 0.000 2.693 102 L HA 0.415 4.751 4.340 -0.007 0.000 0.235 102 L C 0.510 177.291 176.870 -0.148 0.000 1.127 102 L CA -0.260 54.500 54.840 -0.134 0.000 0.914 102 L CB -0.694 41.309 42.059 -0.092 0.000 1.193 102 L HN 0.080 nan 8.230 nan 0.000 0.502 103 A N -0.388 122.342 122.820 -0.151 0.000 2.791 103 A HA -0.222 4.094 4.320 -0.007 0.000 0.292 103 A C 1.029 178.550 177.584 -0.104 0.000 1.487 103 A CA 0.982 52.943 52.037 -0.126 0.000 0.760 103 A CB -1.911 17.000 19.000 -0.148 0.000 1.031 103 A HN 0.237 nan 8.150 nan 0.000 0.503 104 L N -0.994 120.170 121.223 -0.099 0.000 2.766 104 L HA 0.276 4.611 4.340 -0.007 0.000 0.242 104 L C 1.755 178.589 176.870 -0.060 0.000 1.136 104 L CA 1.399 56.177 54.840 -0.104 0.000 0.933 104 L CB -0.102 41.867 42.059 -0.150 0.000 1.241 104 L HN 0.601 nan 8.230 nan 0.000 0.522 105 E N -0.179 119.996 120.200 -0.042 0.000 2.038 105 E HA -0.238 4.108 4.350 -0.007 0.000 0.195 105 E C 1.542 178.130 176.600 -0.019 0.000 1.000 105 E CA 1.505 57.891 56.400 -0.022 0.000 0.803 105 E CB 0.239 29.929 29.700 -0.017 0.000 0.750 105 E HN 0.422 nan 8.360 nan 0.000 0.448 106 N N 0.007 118.692 118.700 -0.024 0.000 2.188 106 N HA -0.123 4.613 4.740 -0.007 0.000 0.184 106 N C 1.591 177.089 175.510 -0.021 0.000 1.018 106 N CA 1.177 54.213 53.050 -0.023 0.000 0.858 106 N CB -0.352 38.119 38.487 -0.025 0.000 0.989 106 N HN 0.212 nan 8.380 nan 0.000 0.426 107 A N 0.567 123.372 122.820 -0.026 0.000 1.883 107 A HA -0.159 4.157 4.320 -0.007 0.000 0.217 107 A C 2.674 180.253 177.584 -0.008 0.000 1.186 107 A CA 1.417 53.442 52.037 -0.020 0.000 0.624 107 A CB -1.045 17.932 19.000 -0.038 0.000 0.822 107 A HN 0.442 nan 8.150 nan 0.000 0.444 108 C N -0.798 118.498 119.300 -0.007 0.000 2.435 108 C HA -0.064 4.392 4.460 -0.007 0.000 0.279 108 C C 2.465 177.461 174.990 0.010 0.000 1.321 108 C CA 1.085 60.111 59.018 0.013 0.000 1.752 108 C CB -1.107 26.652 27.740 0.031 0.000 1.959 108 C HN 0.687 nan 8.230 nan 0.000 0.500 109 D N 0.693 121.097 120.400 0.008 0.000 2.117 109 D HA -0.133 4.502 4.640 -0.007 0.000 0.197 109 D C 2.138 178.458 176.300 0.033 0.000 0.987 109 D CA 1.438 55.446 54.000 0.013 0.000 0.829 109 D CB -0.223 40.574 40.800 -0.005 0.000 0.961 109 D HN 0.481 nan 8.370 nan 0.000 0.460 110 E N 0.304 120.517 120.200 0.021 0.000 2.047 110 E HA -0.026 4.320 4.350 -0.007 0.000 0.191 110 E C 1.896 178.539 176.600 0.071 0.000 0.987 110 E CA 1.528 57.961 56.400 0.056 0.000 0.799 110 E CB -0.533 29.180 29.700 0.021 0.000 0.752 110 E HN 0.192 nan 8.360 nan 0.000 0.449 111 A N -0.027 122.801 122.820 0.013 0.000 1.883 111 A HA -0.232 4.084 4.320 -0.007 0.000 0.217 111 A C 2.504 180.017 177.584 -0.117 0.000 1.186 111 A CA 2.957 54.974 52.037 -0.033 0.000 0.624 111 A CB -1.516 17.470 19.000 -0.025 0.000 0.822 111 A HN 0.522 nan 8.150 nan 0.000 0.444 112 T N -3.846 110.631 114.554 -0.127 0.000 2.904 112 T HA -0.189 4.157 4.350 -0.007 0.000 0.267 112 T C 1.826 176.437 174.700 -0.148 0.000 1.059 112 T CA 1.467 63.428 62.100 -0.233 0.000 1.137 112 T CB -0.553 68.217 68.868 -0.162 0.000 0.879 112 T HN 0.462 nan 8.240 nan 0.000 0.467 113 Y N 2.248 122.469 120.300 -0.132 0.000 2.128 113 Y HA -0.106 4.440 4.550 -0.006 0.000 0.284 113 Y C 2.611 178.448 175.900 -0.105 0.000 1.154 113 Y CA 1.570 59.610 58.100 -0.099 0.000 1.149 113 Y CB -0.564 37.857 38.460 -0.065 0.000 0.976 113 Y HN 0.247 nan 8.280 nan 0.000 0.505 114 Q N -0.898 118.800 119.800 -0.171 0.000 2.224 114 Q HA -0.127 4.209 4.340 -0.007 0.000 0.203 114 Q C 1.529 177.378 176.000 -0.252 0.000 0.970 114 Q CA 1.014 56.684 55.803 -0.223 0.000 0.865 114 Q CB -0.101 28.596 28.738 -0.069 0.000 0.922 114 Q HN 0.352 nan 8.270 nan 0.000 0.445 115 L N -0.698 120.362 121.223 -0.271 0.000 2.599 115 L HA 0.131 4.467 4.340 -0.007 0.000 0.230 115 L C 1.034 177.722 176.870 -0.303 0.000 1.141 115 L CA 1.115 55.780 54.840 -0.291 0.000 0.877 115 L CB -0.390 41.404 42.059 -0.442 0.000 1.009 115 L HN 0.302 nan 8.230 nan 0.000 0.447 116 G N -0.161 108.442 108.800 -0.329 0.000 2.198 116 G HA2 -0.254 3.702 3.960 -0.007 0.000 0.257 116 G HA3 -0.254 3.702 3.960 -0.007 0.000 0.257 116 G C 0.022 174.774 174.900 -0.246 0.000 1.042 116 G CA 0.344 45.266 45.100 -0.297 0.000 0.791 116 G HN 0.292 nan 8.290 nan 0.000 0.502 117 L N -0.569 120.508 121.223 -0.244 0.000 2.354 117 L HA 0.620 4.955 4.340 -0.007 0.000 0.264 117 L C -0.659 176.174 176.870 -0.061 0.000 1.008 117 L CA -1.204 53.529 54.840 -0.178 0.000 0.819 117 L CB 1.976 43.866 42.059 -0.281 0.000 1.339 117 L HN 0.081 nan 8.230 nan 0.000 0.420 118 D N 1.898 122.296 120.400 -0.005 0.000 2.412 118 D HA 0.193 4.829 4.640 -0.007 0.000 0.224 118 D C 0.662 176.992 176.300 0.051 0.000 1.093 118 D CA -0.282 53.743 54.000 0.043 0.000 0.850 118 D CB 1.481 42.312 40.800 0.051 0.000 1.046 118 D HN 0.514 nan 8.370 nan 0.000 0.507 119 M N 3.054 122.685 119.600 0.051 0.000 2.144 119 M HA -0.178 4.298 4.480 -0.007 0.000 0.260 119 M C 1.342 177.688 176.300 0.075 0.000 1.067 119 M CA 1.637 56.977 55.300 0.067 0.000 1.095 119 M CB 0.180 32.812 32.600 0.055 0.000 1.365 119 M HN 0.413 nan 8.290 nan 0.000 0.406 120 E N -0.280 119.956 120.200 0.059 0.000 2.153 120 E HA -0.259 4.087 4.350 -0.007 0.000 0.194 120 E C 1.858 178.495 176.600 0.061 0.000 0.988 120 E CA 1.432 57.864 56.400 0.054 0.000 0.811 120 E CB -0.134 29.595 29.700 0.047 0.000 0.746 120 E HN 0.646 nan 8.360 nan 0.000 0.466 121 E N 0.327 120.567 120.200 0.067 0.000 2.106 121 E HA -0.185 4.161 4.350 -0.007 0.000 0.192 121 E C 1.895 178.542 176.600 0.078 0.000 0.984 121 E CA 0.518 56.958 56.400 0.068 0.000 0.806 121 E CB 0.184 29.926 29.700 0.069 0.000 0.750 121 E HN 0.085 nan 8.360 nan 0.000 0.458 122 L N 1.459 122.750 121.223 0.113 0.000 2.093 122 L HA -0.128 4.208 4.340 -0.007 0.000 0.208 122 L C 2.024 178.972 176.870 0.129 0.000 1.085 122 L CA 1.612 56.555 54.840 0.172 0.000 0.755 122 L CB -0.512 41.694 42.059 0.246 0.000 0.904 122 L HN 0.134 nan 8.230 nan 0.000 0.435 123 E N -0.715 119.546 120.200 0.100 0.000 2.204 123 E HA -0.183 4.163 4.350 -0.007 0.000 0.195 123 E C 1.725 178.295 176.600 -0.051 0.000 0.990 123 E CA 0.678 57.109 56.400 0.052 0.000 0.821 123 E CB -0.018 29.714 29.700 0.054 0.000 0.750 123 E HN 0.425 nan 8.360 nan 0.000 0.477 124 E N 0.352 120.535 120.200 -0.028 0.000 2.418 124 E HA -0.082 4.264 4.350 -0.007 0.000 0.197 124 E C 1.835 178.376 176.600 -0.100 0.000 1.026 124 E CA 0.480 56.861 56.400 -0.032 0.000 0.862 124 E CB 0.101 29.816 29.700 0.026 0.000 0.799 124 E HN 0.419 nan 8.360 nan 0.000 0.518 125 I N 0.740 121.189 120.570 -0.202 0.000 2.716 125 I HA -0.090 4.076 4.170 -0.007 0.000 0.259 125 I C 1.379 177.195 176.117 -0.502 0.000 1.172 125 I CA 0.161 61.278 61.300 -0.304 0.000 1.478 125 I CB 0.093 37.920 38.000 -0.289 0.000 1.104 125 I HN -0.016 nan 8.210 nan 0.000 0.439 126 E N 2.385 122.146 120.200 -0.732 0.000 2.414 126 E HA -0.091 4.254 4.350 -0.007 0.000 0.263 126 E C -0.064 176.438 176.600 -0.163 0.000 1.000 126 E CA -0.119 55.906 56.400 -0.624 0.000 0.914 126 E CB 0.617 30.070 29.700 -0.412 0.000 0.948 126 E HN 0.046 nan 8.360 nan 0.000 0.444 127 E N 2.935 123.139 120.200 0.008 0.000 2.313 127 E HA 0.092 4.438 4.350 -0.007 0.000 0.276 127 E C -1.240 175.471 176.600 0.184 0.000 1.031 127 E CA -0.315 56.179 56.400 0.156 0.000 0.857 127 E CB 0.807 30.692 29.700 0.309 0.000 1.040 127 E HN 0.350 nan 8.360 nan 0.000 0.408 128 D N 1.833 122.307 120.400 0.124 0.000 2.414 128 D HA 0.249 4.885 4.640 -0.007 0.000 0.242 128 D C -0.765 175.552 176.300 0.029 0.000 1.129 128 D CA 0.272 54.310 54.000 0.063 0.000 0.885 128 D CB 0.885 41.702 40.800 0.028 0.000 1.198 128 D HN 0.429 nan 8.370 nan 0.000 0.437 129 A N 2.228 125.008 122.820 -0.066 0.000 2.650 129 A HA 0.491 4.807 4.320 -0.007 0.000 0.320 129 A C 0.913 178.316 177.584 -0.302 0.000 1.466 129 A CA -0.494 51.286 52.037 -0.429 0.000 1.099 129 A CB -0.164 18.683 19.000 -0.256 0.000 1.136 129 A HN 0.518 nan 8.150 nan 0.000 0.532 130 G N 2.019 110.608 108.800 -0.353 0.000 3.741 130 G HA2 0.412 4.368 3.960 -0.007 0.000 0.263 130 G HA3 0.412 4.368 3.960 -0.007 0.000 0.263 130 G C 0.310 175.022 174.900 -0.314 0.000 1.175 130 G CA -0.304 44.708 45.100 -0.147 0.000 1.642 130 G HN 0.693 nan 8.290 nan 0.000 0.644 131 L N 1.395 122.478 121.223 -0.234 0.000 2.922 131 L HA 0.368 4.704 4.340 -0.007 0.000 0.244 131 L C 1.035 177.837 176.870 -0.114 0.000 1.324 131 L CA -0.186 54.602 54.840 -0.086 0.000 1.172 131 L CB -0.505 41.643 42.059 0.147 0.000 1.545 131 L HN 0.323 nan 8.230 nan 0.000 0.438 132 G N -1.193 107.313 108.800 -0.490 0.000 2.660 132 G HA2 0.210 4.165 3.960 -0.007 0.000 0.290 132 G HA3 0.210 4.165 3.960 -0.007 0.000 0.290 132 G C -0.148 174.220 174.900 -0.887 0.000 1.432 132 G CA -0.458 44.291 45.100 -0.585 0.000 0.807 132 G HN -0.067 nan 8.290 nan 0.000 0.485 133 N N -0.830 117.599 118.700 -0.452 0.000 2.439 133 N HA 0.218 4.954 4.740 -0.007 0.000 0.176 133 N C 1.162 176.649 175.510 -0.037 0.000 1.029 133 N CA 1.290 54.189 53.050 -0.251 0.000 0.886 133 N CB 1.315 39.779 38.487 -0.039 0.000 1.057 133 N HN 0.831 nan 8.380 nan 0.000 0.437 134 G N -0.609 108.262 108.800 0.117 0.000 2.825 134 G HA2 0.179 4.135 3.960 -0.007 0.000 0.100 134 G HA3 0.179 4.135 3.960 -0.007 0.000 0.100 134 G C 0.769 175.806 174.900 0.229 0.000 1.195 134 G CA 0.248 45.532 45.100 0.307 0.000 1.317 134 G HN 0.170 nan 8.290 nan 0.000 0.632 135 G N 0.561 109.430 108.800 0.116 0.000 2.491 135 G HA2 -0.147 3.809 3.960 -0.007 0.000 0.218 135 G HA3 -0.147 3.809 3.960 -0.007 0.000 0.218 135 G C 1.913 176.800 174.900 -0.021 0.000 1.180 135 G CA 1.622 46.748 45.100 0.042 0.000 0.774 135 G HN 0.896 nan 8.290 nan 0.000 0.562 136 L N 0.621 121.790 121.223 -0.090 0.000 2.042 136 L HA 0.057 4.392 4.340 -0.007 0.000 0.210 136 L C 2.808 179.589 176.870 -0.149 0.000 1.076 136 L CA 2.092 56.766 54.840 -0.276 0.000 0.749 136 L CB -0.568 41.265 42.059 -0.376 0.000 0.893 136 L HN 0.254 nan 8.230 nan 0.000 0.432 137 G N -0.689 108.095 108.800 -0.026 0.000 2.403 137 G HA2 -0.283 3.672 3.960 -0.007 0.000 0.216 137 G HA3 -0.283 3.672 3.960 -0.007 0.000 0.216 137 G C 1.629 176.600 174.900 0.118 0.000 1.154 137 G CA 0.620 45.734 45.100 0.023 0.000 0.784 137 G HN 0.308 nan 8.290 nan 0.000 0.538 138 R N 0.009 120.613 120.500 0.173 0.000 2.148 138 R HA 0.147 4.482 4.340 -0.007 0.000 0.223 138 R C 2.236 178.544 176.300 0.014 0.000 1.088 138 R CA 0.704 56.875 56.100 0.119 0.000 0.985 138 R CB -0.773 29.555 30.300 0.046 0.000 0.880 138 R HN 0.329 nan 8.270 nan 0.000 0.451 139 L N 0.071 121.231 121.223 -0.105 0.000 2.056 139 L HA 0.070 4.405 4.340 -0.007 0.000 0.207 139 L C 2.052 178.632 176.870 -0.482 0.000 1.078 139 L CA 2.053 56.689 54.840 -0.341 0.000 0.749 139 L CB -0.792 41.022 42.059 -0.408 0.000 0.901 139 L HN 0.237 nan 8.230 nan 0.000 0.433 140 A N -0.524 122.144 122.820 -0.253 0.000 1.933 140 A HA -0.137 4.179 4.320 -0.007 0.000 0.218 140 A C 2.441 180.081 177.584 0.093 0.000 1.175 140 A CA 1.821 53.776 52.037 -0.137 0.000 0.628 140 A CB -1.111 17.745 19.000 -0.240 0.000 0.814 140 A HN 0.564 nan 8.150 nan 0.000 0.444 141 A N -0.996 121.913 122.820 0.147 0.000 1.873 141 A HA -0.159 4.157 4.320 -0.007 0.000 0.215 141 A C 2.321 179.994 177.584 0.148 0.000 1.186 141 A CA 1.641 53.799 52.037 0.201 0.000 0.616 141 A CB -1.305 17.799 19.000 0.173 0.000 0.823 141 A HN 0.595 nan 8.150 nan 0.000 0.442 142 C N -1.468 117.919 119.300 0.145 0.000 2.425 142 C HA -0.077 4.379 4.460 -0.007 0.000 0.277 142 C C 2.438 177.603 174.990 0.292 0.000 1.280 142 C CA 0.660 59.804 59.018 0.209 0.000 1.744 142 C CB -1.651 26.237 27.740 0.247 0.000 1.989 142 C HN 0.598 nan 8.230 nan 0.000 0.491 143 F N 0.543 120.481 119.950 -0.020 0.000 2.134 143 F HA -0.082 4.441 4.527 -0.007 0.000 0.299 143 F C 2.108 177.856 175.800 -0.088 0.000 1.097 143 F CA 1.090 59.025 58.000 -0.108 0.000 1.264 143 F CB -1.348 37.448 39.000 -0.339 0.000 1.001 143 F HN 0.097 nan 8.300 nan 0.000 0.479 144 L N 0.217 121.528 121.223 0.146 0.000 2.046 144 L HA -0.231 4.104 4.340 -0.007 0.000 0.208 144 L C 2.141 179.030 176.870 0.032 0.000 1.077 144 L CA 1.942 56.823 54.840 0.069 0.000 0.747 144 L CB -1.273 40.835 42.059 0.081 0.000 0.896 144 L HN 0.111 nan 8.230 nan 0.000 0.432 145 D N -1.599 118.830 120.400 0.048 0.000 2.097 145 D HA -0.165 4.471 4.640 -0.007 0.000 0.195 145 D C 2.171 178.489 176.300 0.030 0.000 0.989 145 D CA 1.405 55.417 54.000 0.020 0.000 0.827 145 D CB 0.185 40.995 40.800 0.018 0.000 0.966 145 D HN 0.179 nan 8.370 nan 0.000 0.456 146 S N -0.734 114.997 115.700 0.052 0.000 2.383 146 S HA -0.084 4.381 4.470 -0.007 0.000 0.227 146 S C 1.969 176.577 174.600 0.014 0.000 1.026 146 S CA 0.779 58.998 58.200 0.032 0.000 0.981 146 S CB -0.195 63.022 63.200 0.029 0.000 0.818 146 S HN 0.345 nan 8.310 nan 0.000 0.472 147 M N 0.916 120.519 119.600 0.004 0.000 2.175 147 M HA -0.069 4.407 4.480 -0.007 0.000 0.264 147 M C 2.428 178.731 176.300 0.005 0.000 1.063 147 M CA 1.333 56.635 55.300 0.002 0.000 1.119 147 M CB -0.478 32.107 32.600 -0.025 0.000 1.377 147 M HN 0.389 nan 8.290 nan 0.000 0.415 148 A N -0.270 122.551 122.820 0.002 0.000 1.897 148 A HA -0.102 4.214 4.320 -0.007 0.000 0.215 148 A C 2.165 179.766 177.584 0.029 0.000 1.181 148 A CA 1.883 53.926 52.037 0.009 0.000 0.620 148 A CB -1.000 17.989 19.000 -0.018 0.000 0.821 148 A HN 0.399 nan 8.150 nan 0.000 0.443 149 T N 0.250 114.825 114.554 0.035 0.000 2.915 149 T HA 0.018 4.364 4.350 -0.007 0.000 0.269 149 T C 1.281 176.012 174.700 0.051 0.000 1.071 149 T CA 1.003 63.137 62.100 0.056 0.000 1.132 149 T CB -0.250 68.657 68.868 0.066 0.000 0.878 149 T HN 0.326 nan 8.240 nan 0.000 0.479 150 L N 0.518 121.767 121.223 0.043 0.000 2.653 150 L HA 0.301 4.637 4.340 -0.007 0.000 0.231 150 L C 1.579 178.482 176.870 0.055 0.000 1.153 150 L CA -0.146 54.721 54.840 0.046 0.000 0.933 150 L CB -0.386 41.698 42.059 0.041 0.000 1.175 150 L HN 0.379 nan 8.230 nan 0.000 0.473 151 G N 1.224 110.062 108.800 0.063 0.000 2.283 151 G HA2 -0.290 3.666 3.960 -0.007 0.000 0.280 151 G HA3 -0.290 3.666 3.960 -0.007 0.000 0.280 151 G C 0.098 175.051 174.900 0.090 0.000 1.029 151 G CA 0.130 45.288 45.100 0.096 0.000 0.840 151 G HN 0.299 nan 8.290 nan 0.000 0.505 152 L N -0.275 120.967 121.223 0.032 0.000 2.334 152 L HA 0.622 4.958 4.340 -0.007 0.000 0.277 152 L C 1.173 177.923 176.870 -0.200 0.000 1.075 152 L CA -0.437 54.373 54.840 -0.051 0.000 0.804 152 L CB 1.647 43.688 42.059 -0.030 0.000 1.174 152 L HN 0.246 nan 8.230 nan 0.000 0.438 153 A N 2.963 125.521 122.820 -0.436 0.000 2.981 153 A HA 0.563 4.879 4.320 -0.007 0.000 0.280 153 A C 0.306 177.546 177.584 -0.573 0.000 1.743 153 A CA -0.165 51.318 52.037 -0.923 0.000 1.430 153 A CB -0.658 17.680 19.000 -1.103 0.000 1.085 153 A HN 0.702 nan 8.150 nan 0.000 0.597 154 A N 1.519 124.049 122.820 -0.484 0.000 2.340 154 A HA 0.808 5.124 4.320 -0.007 0.000 0.331 154 A C -1.002 176.313 177.584 -0.449 0.000 1.140 154 A CA -0.464 51.357 52.037 -0.360 0.000 0.801 154 A CB 0.760 19.622 19.000 -0.229 0.000 1.234 154 A HN 0.637 nan 8.150 nan 0.000 0.469 155 Y N 0.154 120.409 120.300 -0.075 0.000 2.373 155 Y HA 0.531 5.077 4.550 -0.007 0.000 0.336 155 Y C 0.794 176.771 175.900 0.128 0.000 0.979 155 Y CA -0.529 57.585 58.100 0.024 0.000 1.080 155 Y CB 2.407 40.961 38.460 0.155 0.000 1.190 155 Y HN 0.848 nan 8.280 nan 0.000 0.446 156 G N 2.131 111.000 108.800 0.114 0.000 2.338 156 G HA2 0.460 4.416 3.960 -0.007 0.000 0.298 156 G HA3 0.460 4.416 3.960 -0.007 0.000 0.298 156 G C -1.777 173.128 174.900 0.007 0.000 1.140 156 G CA -0.264 44.944 45.100 0.181 0.000 0.860 156 G HN 0.511 nan 8.290 nan 0.000 0.470 157 Y N 0.944 121.468 120.300 0.372 0.000 2.350 157 Y HA 0.632 5.178 4.550 -0.007 0.000 0.338 157 Y C 0.751 176.945 175.900 0.490 0.000 0.961 157 Y CA 0.208 58.494 58.100 0.311 0.000 1.100 157 Y CB 2.640 41.308 38.460 0.346 0.000 1.179 157 Y HN 0.877 nan 8.280 nan 0.000 0.454 158 G N 2.344 111.459 108.800 0.525 0.000 2.753 158 G HA2 0.601 4.557 3.960 -0.007 0.000 0.303 158 G HA3 0.601 4.557 3.960 -0.007 0.000 0.303 158 G C -1.737 173.408 174.900 0.409 0.000 1.242 158 G CA -0.805 44.640 45.100 0.576 0.000 0.810 158 G HN 0.421 nan 8.290 nan 0.000 0.515 159 I N 0.504 121.220 120.570 0.244 0.000 2.474 159 I HA 0.440 4.606 4.170 -0.007 0.000 0.294 159 I C 0.161 176.201 176.117 -0.128 0.000 1.005 159 I CA -0.744 60.580 61.300 0.040 0.000 1.113 159 I CB 2.324 40.155 38.000 -0.281 0.000 1.289 159 I HN 0.376 nan 8.210 nan 0.000 0.436 160 R N 6.057 126.573 120.500 0.027 0.000 2.593 160 R HA 0.252 4.587 4.340 -0.007 0.000 0.282 160 R C -1.302 175.055 176.300 0.096 0.000 1.300 160 R CA -0.431 55.722 56.100 0.088 0.000 1.221 160 R CB -0.024 30.302 30.300 0.044 0.000 1.157 160 R HN 0.399 nan 8.270 nan 0.000 0.555 161 Y N 1.863 122.332 120.300 0.282 0.000 2.425 161 Y HA -0.047 4.498 4.550 -0.007 0.000 0.331 161 Y C 1.534 177.617 175.900 0.304 0.000 1.157 161 Y CA -0.026 58.229 58.100 0.259 0.000 1.372 161 Y CB 0.940 39.537 38.460 0.228 0.000 1.253 161 Y HN 0.582 nan 8.280 nan 0.000 0.536 162 E N 1.356 121.732 120.200 0.293 0.000 2.435 162 E HA 0.007 4.353 4.350 -0.007 0.000 0.195 162 E C -0.793 175.665 176.600 -0.237 0.000 1.029 162 E CA 0.563 56.948 56.400 -0.025 0.000 0.865 162 E CB 0.067 29.614 29.700 -0.255 0.000 0.833 162 E HN 0.427 nan 8.360 nan 0.000 0.510 163 F N 0.970 121.159 119.950 0.398 0.000 2.499 163 F HA 0.488 5.011 4.527 -0.007 0.000 0.333 163 F C 0.827 176.735 175.800 0.179 0.000 1.138 163 F CA -0.987 57.196 58.000 0.306 0.000 0.945 163 F CB 2.112 41.219 39.000 0.179 0.000 1.181 163 F HN -0.053 nan 8.300 nan 0.000 0.435 164 G N 1.868 110.791 108.800 0.204 0.000 2.531 164 G HA2 0.343 4.299 3.960 -0.007 0.000 0.253 164 G HA3 0.343 4.299 3.960 -0.007 0.000 0.253 164 G C -0.533 174.335 174.900 -0.053 0.000 1.439 164 G CA -0.691 44.372 45.100 -0.061 0.000 1.056 164 G HN 0.536 nan 8.290 nan 0.000 0.555 165 I N 1.034 121.492 120.570 -0.187 0.000 2.752 165 I HA 0.206 4.372 4.170 -0.007 0.000 0.289 165 I C 0.532 176.551 176.117 -0.163 0.000 1.197 165 I CA -1.164 59.992 61.300 -0.241 0.000 1.432 165 I CB -0.396 37.366 38.000 -0.397 0.000 1.359 165 I HN 0.330 nan 8.210 nan 0.000 0.571 166 F N 6.416 126.386 119.950 0.033 0.000 2.628 166 F HA 0.215 4.738 4.527 -0.007 0.000 0.362 166 F C 0.494 176.351 175.800 0.096 0.000 1.148 166 F CA -0.472 57.569 58.000 0.070 0.000 1.352 166 F CB -0.347 38.680 39.000 0.045 0.000 1.081 166 F HN 0.438 nan 8.300 nan 0.000 0.605 167 N N 2.422 121.311 118.700 0.315 0.000 2.488 167 N HA 0.058 4.794 4.740 -0.007 0.000 0.274 167 N C -0.834 174.916 175.510 0.401 0.000 1.111 167 N CA -0.297 52.906 53.050 0.255 0.000 0.974 167 N CB 1.204 39.828 38.487 0.229 0.000 1.089 167 N HN 0.766 nan 8.380 nan 0.000 0.465 168 Q N 2.448 122.455 119.800 0.346 0.000 2.278 168 Q HA 0.192 4.528 4.340 -0.007 0.000 0.257 168 Q C -0.995 175.177 176.000 0.286 0.000 0.928 168 Q CA -0.447 55.593 55.803 0.394 0.000 0.932 168 Q CB 0.734 29.715 28.738 0.405 0.000 1.221 168 Q HN 0.230 nan 8.270 nan 0.000 0.434 169 K N 4.064 124.606 120.400 0.238 0.000 2.259 169 K HA 0.485 4.800 4.320 -0.007 0.000 0.252 169 K C -0.709 175.986 176.600 0.158 0.000 0.936 169 K CA -0.882 55.521 56.287 0.194 0.000 0.810 169 K CB 1.619 34.215 32.500 0.160 0.000 1.143 169 K HN 0.631 nan 8.250 nan 0.000 0.427 170 I N 2.502 123.153 120.570 0.136 0.000 2.330 170 I HA 0.219 4.385 4.170 -0.007 0.000 0.289 170 I C -0.362 175.808 176.117 0.088 0.000 1.001 170 I CA -0.648 60.701 61.300 0.082 0.000 1.193 170 I CB 0.739 38.761 38.000 0.037 0.000 1.345 170 I HN 0.405 nan 8.210 nan 0.000 0.461 171 C N 3.981 123.344 119.300 0.105 0.000 2.322 171 C HA 0.598 5.054 4.460 -0.007 0.000 0.324 171 C C 1.152 176.240 174.990 0.165 0.000 1.249 171 C CA -0.479 58.608 59.018 0.115 0.000 1.453 171 C CB 0.523 28.325 27.740 0.103 0.000 2.145 171 C HN 1.086 nan 8.230 nan 0.000 0.466 172 G N 2.343 111.215 108.800 0.120 0.000 2.225 172 G HA2 0.115 4.071 3.960 -0.007 0.000 0.267 172 G HA3 0.115 4.071 3.960 -0.007 0.000 0.267 172 G C 1.091 176.017 174.900 0.044 0.000 1.024 172 G CA 0.979 46.161 45.100 0.138 0.000 0.784 172 G HN 2.391 nan 8.290 nan 0.000 0.507 173 G N -2.886 105.885 108.800 -0.048 0.000 2.205 173 G HA2 -0.292 3.664 3.960 -0.007 0.000 0.261 173 G HA3 -0.292 3.664 3.960 -0.007 0.000 0.261 173 G C 0.390 175.081 174.900 -0.348 0.000 0.980 173 G CA 0.690 45.647 45.100 -0.239 0.000 0.632 173 G HN 1.200 nan 8.290 nan 0.000 0.533 174 W N 0.790 122.032 121.300 -0.096 0.000 2.516 174 W HA 0.671 5.327 4.660 -0.007 0.000 0.343 174 W C 0.645 177.103 176.519 -0.101 0.000 1.094 174 W CA -0.834 56.446 57.345 -0.107 0.000 1.250 174 W CB 0.778 30.192 29.460 -0.076 0.000 1.308 174 W HN 0.240 nan 8.180 nan 0.000 0.588 175 Q N 2.773 122.672 119.800 0.165 0.000 2.304 175 Q HA 0.292 4.628 4.340 -0.007 0.000 0.260 175 Q C -0.669 175.382 176.000 0.085 0.000 0.965 175 Q CA 0.061 55.922 55.803 0.097 0.000 0.898 175 Q CB 0.596 29.382 28.738 0.081 0.000 1.196 175 Q HN 0.314 nan 8.270 nan 0.000 0.402 176 M N 3.062 122.708 119.600 0.076 0.000 2.465 176 M HA 0.395 4.871 4.480 -0.007 0.000 0.316 176 M C -1.237 175.072 176.300 0.016 0.000 1.121 176 M CA -0.669 54.647 55.300 0.026 0.000 0.934 176 M CB 1.901 34.532 32.600 0.051 0.000 1.692 176 M HN 0.623 nan 8.290 nan 0.000 0.444 177 E N 1.677 121.823 120.200 -0.091 0.000 2.179 177 E HA 0.516 4.862 4.350 -0.007 0.000 0.275 177 E C -0.764 175.833 176.600 -0.005 0.000 0.945 177 E CA -0.634 55.688 56.400 -0.128 0.000 0.792 177 E CB 1.869 31.236 29.700 -0.554 0.000 1.125 177 E HN 0.521 nan 8.360 nan 0.000 0.397 178 E N 0.928 121.202 120.200 0.124 0.000 2.340 178 E HA 0.698 5.044 4.350 -0.007 0.000 0.273 178 E C -1.071 175.626 176.600 0.162 0.000 0.891 178 E CA -1.493 54.971 56.400 0.107 0.000 0.757 178 E CB 1.473 31.242 29.700 0.115 0.000 1.231 178 E HN 0.474 nan 8.360 nan 0.000 0.439 179 A N 2.371 125.249 122.820 0.097 0.000 2.567 179 A HA 0.006 4.322 4.320 -0.007 0.000 0.240 179 A C 0.030 177.801 177.584 0.311 0.000 1.053 179 A CA 0.449 52.562 52.037 0.127 0.000 0.755 179 A CB -0.125 18.831 19.000 -0.074 0.000 0.978 179 A HN 0.687 nan 8.150 nan 0.000 0.507 180 D N 1.926 122.581 120.400 0.426 0.000 2.522 180 D HA 0.178 4.814 4.640 -0.007 0.000 0.218 180 D C -0.316 176.307 176.300 0.539 0.000 1.149 180 D CA -0.207 54.038 54.000 0.410 0.000 0.981 180 D CB 0.211 41.187 40.800 0.293 0.000 1.041 180 D HN 0.400 nan 8.370 nan 0.000 0.518 181 D N 3.345 124.025 120.400 0.465 0.000 2.801 181 D HA -0.037 4.599 4.640 -0.007 0.000 0.232 181 D C 1.212 177.631 176.300 0.200 0.000 1.128 181 D CA -0.536 53.629 54.000 0.274 0.000 1.003 181 D CB -0.216 40.761 40.800 0.295 0.000 1.110 181 D HN 0.533 nan 8.370 nan 0.000 0.477 182 W N 1.773 123.095 121.300 0.036 0.000 2.525 182 W HA -0.054 4.602 4.660 -0.007 0.000 0.259 182 W C 0.065 176.630 176.519 0.076 0.000 1.253 182 W CA 0.143 57.536 57.345 0.079 0.000 1.262 182 W CB -0.734 28.779 29.460 0.087 0.000 1.122 182 W HN 0.203 nan 8.180 nan 0.000 0.607 183 L N 0.901 121.777 121.223 -0.577 0.000 2.607 183 L HA 0.176 4.512 4.340 -0.007 0.000 0.228 183 L C 2.747 179.450 176.870 -0.278 0.000 1.123 183 L CA -0.033 54.439 54.840 -0.614 0.000 0.890 183 L CB -0.621 40.945 42.059 -0.821 0.000 1.103 183 L HN -0.107 nan 8.230 nan 0.000 0.468 184 R N 0.829 121.216 120.500 -0.187 0.000 2.133 184 R HA -0.253 4.083 4.340 -0.007 0.000 0.245 184 R C 1.415 177.522 176.300 -0.321 0.000 1.137 184 R CA 2.255 58.203 56.100 -0.252 0.000 0.947 184 R CB -0.286 29.842 30.300 -0.287 0.000 0.865 184 R HN 0.298 nan 8.270 nan 0.000 0.437 185 Y N -0.365 119.946 120.300 0.018 0.000 2.466 185 Y HA 0.321 4.867 4.550 -0.007 0.000 0.272 185 Y C 0.837 176.709 175.900 -0.046 0.000 1.169 185 Y CA 0.525 58.635 58.100 0.017 0.000 1.285 185 Y CB 0.787 39.362 38.460 0.192 0.000 1.078 185 Y HN 0.492 nan 8.280 nan 0.000 0.523 186 G N 1.261 110.094 108.800 0.054 0.000 2.663 186 G HA2 -0.216 3.740 3.960 -0.007 0.000 0.686 186 G HA3 -0.216 3.740 3.960 -0.007 0.000 0.686 186 G C -1.254 173.722 174.900 0.126 0.000 1.246 186 G CA -0.849 44.254 45.100 0.005 0.000 0.795 186 G HN 0.243 nan 8.290 nan 0.000 0.627 187 N N 1.373 120.091 118.700 0.029 0.000 2.569 187 N HA 0.561 5.297 4.740 -0.007 0.000 0.254 187 N C -0.554 174.962 175.510 0.009 0.000 1.004 187 N CA -1.939 51.151 53.050 0.066 0.000 0.904 187 N CB 2.018 40.479 38.487 -0.042 0.000 1.165 187 N HN 0.266 nan 8.380 nan 0.000 0.513 188 P HA -0.002 nan 4.420 nan 0.000 0.226 188 P C 0.586 177.574 177.300 -0.521 0.000 1.153 188 P CA 0.745 63.544 63.100 -0.503 0.000 0.777 188 P CB 0.116 31.231 31.700 -0.975 0.000 0.794 189 W N 1.967 123.282 121.300 0.025 0.000 2.576 189 W HA 0.052 4.708 4.660 -0.007 0.000 0.270 189 W C 1.328 177.896 176.519 0.081 0.000 1.255 189 W CA -0.321 57.037 57.345 0.022 0.000 1.314 189 W CB -0.324 29.149 29.460 0.022 0.000 1.101 189 W HN 0.029 nan 8.180 nan 0.000 0.595 190 E N 1.673 122.053 120.200 0.299 0.000 2.318 190 E HA 0.349 4.695 4.350 -0.007 0.000 0.265 190 E C -0.570 176.200 176.600 0.284 0.000 1.069 190 E CA -0.753 55.834 56.400 0.312 0.000 0.893 190 E CB 1.268 31.161 29.700 0.323 0.000 1.076 190 E HN -0.328 nan 8.360 nan 0.000 0.414 191 K N 1.330 121.909 120.400 0.298 0.000 2.579 191 K HA 0.410 4.726 4.320 -0.007 0.000 0.250 191 K C -1.316 175.296 176.600 0.020 0.000 0.952 191 K CA -0.457 55.932 56.287 0.170 0.000 0.857 191 K CB 1.554 34.159 32.500 0.176 0.000 1.123 191 K HN 0.673 nan 8.250 nan 0.000 0.433 192 A N 4.147 126.887 122.820 -0.134 0.000 2.477 192 A HA 0.376 4.692 4.320 -0.007 0.000 0.246 192 A C -0.247 177.120 177.584 -0.362 0.000 1.078 192 A CA -0.126 51.572 52.037 -0.565 0.000 0.770 192 A CB 0.209 18.858 19.000 -0.586 0.000 1.011 192 A HN 0.642 nan 8.150 nan 0.000 0.494 193 R N 3.364 123.638 120.500 -0.378 0.000 2.983 193 R HA 0.199 4.535 4.340 -0.007 0.000 0.300 193 R C -2.272 173.847 176.300 -0.302 0.000 1.367 193 R CA -1.820 54.094 56.100 -0.310 0.000 1.564 193 R CB 0.546 30.773 30.300 -0.122 0.000 1.314 193 R HN 0.598 nan 8.270 nan 0.000 0.622 194 P HA -0.216 nan 4.420 nan 0.000 0.218 194 P C 0.865 178.068 177.300 -0.162 0.000 1.146 194 P CA 1.253 64.255 63.100 -0.164 0.000 0.813 194 P CB 0.372 31.990 31.700 -0.138 0.000 0.778 195 E N 0.149 120.145 120.200 -0.340 0.000 2.338 195 E HA -0.147 4.199 4.350 -0.007 0.000 0.197 195 E C 1.178 177.664 176.600 -0.189 0.000 1.007 195 E CA 0.828 57.017 56.400 -0.352 0.000 0.849 195 E CB -1.112 28.246 29.700 -0.570 0.000 0.774 195 E HN 0.411 nan 8.360 nan 0.000 0.506 196 F N 1.818 121.780 119.950 0.022 0.000 2.668 196 F HA 0.210 4.732 4.527 -0.007 0.000 0.297 196 F C 0.567 176.458 175.800 0.153 0.000 1.124 196 F CA -0.706 57.337 58.000 0.072 0.000 1.353 196 F CB 0.512 39.547 39.000 0.059 0.000 0.992 196 F HN -0.273 nan 8.300 nan 0.000 0.524 197 T N 2.794 117.499 114.554 0.251 0.000 2.940 197 T HA 0.204 4.550 4.350 -0.007 0.000 0.309 197 T C -0.250 174.553 174.700 0.173 0.000 1.056 197 T CA 0.350 62.589 62.100 0.232 0.000 1.137 197 T CB 0.803 69.755 68.868 0.141 0.000 0.976 197 T HN -0.114 nan 8.240 nan 0.000 0.547 198 L N 5.458 126.744 121.223 0.106 0.000 2.388 198 L HA 0.550 4.886 4.340 -0.007 0.000 0.264 198 L C -2.207 174.603 176.870 -0.100 0.000 0.998 198 L CA -2.438 52.384 54.840 -0.031 0.000 0.817 198 L CB 2.034 44.000 42.059 -0.155 0.000 1.338 198 L HN 0.389 nan 8.230 nan 0.000 0.414 199 P HA 0.368 nan 4.420 nan 0.000 0.288 199 P C -1.219 175.928 177.300 -0.255 0.000 1.267 199 P CA -0.375 62.627 63.100 -0.165 0.000 0.815 199 P CB 1.935 33.537 31.700 -0.163 0.000 0.989 200 V N 3.867 123.619 119.914 -0.270 0.000 2.604 200 V HA 0.335 4.451 4.120 -0.007 0.000 0.305 200 V C 0.162 176.027 176.094 -0.381 0.000 1.043 200 V CA -0.623 61.509 62.300 -0.279 0.000 0.888 200 V CB 1.614 33.342 31.823 -0.159 0.000 0.995 200 V HN 0.612 nan 8.190 nan 0.000 0.429 201 H N 3.626 122.539 119.070 -0.261 0.000 2.472 201 H HA 0.646 5.197 4.556 -0.007 0.000 0.338 201 H C -1.313 173.729 175.328 -0.478 0.000 1.133 201 H CA -0.162 55.648 56.048 -0.396 0.000 1.216 201 H CB 1.958 31.216 29.762 -0.840 0.000 1.497 201 H HN 0.480 nan 8.280 nan 0.000 0.500 202 F N 0.130 120.125 119.950 0.076 0.000 2.613 202 F HA 0.210 4.733 4.527 -0.007 0.000 0.314 202 F C -0.280 175.618 175.800 0.164 0.000 1.075 202 F CA -0.567 57.477 58.000 0.074 0.000 0.945 202 F CB 1.030 39.962 39.000 -0.113 0.000 1.310 202 F HN 0.535 nan 8.300 nan 0.000 0.467 203 Y N 0.177 120.764 120.300 0.478 0.000 2.904 203 Y HA 0.003 4.548 4.550 -0.007 0.000 0.466 203 Y C 1.355 177.501 175.900 0.409 0.000 1.202 203 Y CA 0.718 59.020 58.100 0.336 0.000 2.492 203 Y CB -1.894 36.695 38.460 0.215 0.000 1.237 203 Y HN 1.334 nan 8.280 nan 0.000 0.633 204 G N 0.665 109.736 108.800 0.453 0.000 2.598 204 G HA2 0.105 4.060 3.960 -0.007 0.000 0.244 204 G HA3 0.105 4.060 3.960 -0.007 0.000 0.244 204 G C -0.524 174.583 174.900 0.345 0.000 1.302 204 G CA 0.975 46.269 45.100 0.323 0.000 0.903 204 G HN 1.365 nan 8.290 nan 0.000 0.575 205 R N -2.633 118.064 120.500 0.328 0.000 2.752 205 R HA 0.713 5.048 4.340 -0.007 0.000 0.271 205 R C -1.382 175.041 176.300 0.205 0.000 1.026 205 R CA -0.995 55.236 56.100 0.218 0.000 0.901 205 R CB 1.298 31.676 30.300 0.130 0.000 1.243 205 R HN 0.892 nan 8.270 nan 0.000 0.463 206 V N 0.791 120.739 119.914 0.056 0.000 2.435 206 V HA 0.369 4.485 4.120 -0.007 0.000 0.290 206 V C -0.231 175.774 176.094 -0.148 0.000 1.030 206 V CA -0.536 61.724 62.300 -0.067 0.000 0.881 206 V CB 1.360 33.068 31.823 -0.192 0.000 0.983 206 V HN 0.698 nan 8.190 nan 0.000 0.445 207 E N 2.791 122.890 120.200 -0.168 0.000 2.158 207 E HA 0.401 4.747 4.350 -0.007 0.000 0.271 207 E C -1.083 175.374 176.600 -0.239 0.000 0.911 207 E CA -0.735 55.583 56.400 -0.136 0.000 0.767 207 E CB 0.954 30.633 29.700 -0.035 0.000 1.120 207 E HN 0.683 nan 8.360 nan 0.000 0.405 208 H N 2.614 121.698 119.070 0.023 0.000 2.641 208 H HA 0.179 4.731 4.556 -0.007 0.000 0.295 208 H C 0.062 175.398 175.328 0.014 0.000 1.070 208 H CA -0.206 55.851 56.048 0.015 0.000 1.257 208 H CB 0.875 30.641 29.762 0.007 0.000 1.393 208 H HN 0.520 nan 8.280 nan 0.000 0.464 209 T N -0.538 114.078 114.554 0.103 0.000 2.948 209 T HA 0.200 4.546 4.350 -0.007 0.000 0.285 209 T C 1.523 176.261 174.700 0.063 0.000 1.019 209 T CA -0.666 61.474 62.100 0.067 0.000 1.013 209 T CB 1.409 70.301 68.868 0.039 0.000 1.117 209 T HN 0.362 nan 8.240 nan 0.000 0.533 210 S N 0.460 116.186 115.700 0.043 0.000 2.406 210 S HA -0.209 4.257 4.470 -0.007 0.000 0.242 210 S C 1.066 175.687 174.600 0.035 0.000 1.079 210 S CA 1.668 59.888 58.200 0.033 0.000 1.133 210 S CB -0.527 62.688 63.200 0.025 0.000 1.005 210 S HN 0.787 nan 8.310 nan 0.000 0.443 211 Q N 0.471 120.292 119.800 0.035 0.000 2.706 211 Q HA 0.549 4.885 4.340 -0.007 0.000 0.250 211 Q C 0.055 176.080 176.000 0.042 0.000 1.120 211 Q CA 0.421 56.245 55.803 0.035 0.000 0.972 211 Q CB 0.575 29.330 28.738 0.028 0.000 1.173 211 Q HN 0.548 nan 8.270 nan 0.000 0.522 212 G N 0.424 109.259 108.800 0.059 0.000 2.612 212 G HA2 0.180 4.136 3.960 -0.007 0.000 0.686 212 G HA3 0.180 4.136 3.960 -0.007 0.000 0.686 212 G C -0.937 174.014 174.900 0.084 0.000 1.274 212 G CA -0.649 44.493 45.100 0.071 0.000 0.849 212 G HN 0.642 nan 8.290 nan 0.000 0.595 213 A N 0.410 123.279 122.820 0.081 0.000 2.293 213 A HA 0.830 5.146 4.320 -0.007 0.000 0.302 213 A C 0.365 177.926 177.584 -0.038 0.000 1.119 213 A CA 0.005 52.038 52.037 -0.006 0.000 0.823 213 A CB 0.965 19.945 19.000 -0.033 0.000 1.097 213 A HN 0.792 nan 8.150 nan 0.000 0.491 214 K N 0.558 120.915 120.400 -0.072 0.000 2.378 214 K HA 0.250 4.566 4.320 -0.007 0.000 0.252 214 K C -1.814 174.820 176.600 0.056 0.000 0.931 214 K CA -0.372 55.911 56.287 -0.006 0.000 0.794 214 K CB 2.009 34.505 32.500 -0.007 0.000 1.181 214 K HN 0.718 nan 8.250 nan 0.000 0.425 215 W N 5.669 126.886 121.300 -0.138 0.000 2.311 215 W HA 0.339 4.995 4.660 -0.007 0.000 0.317 215 W C -0.763 175.686 176.519 -0.116 0.000 1.065 215 W CA -0.838 56.428 57.345 -0.131 0.000 1.364 215 W CB 0.075 29.444 29.460 -0.152 0.000 1.233 215 W HN 0.300 nan 8.180 nan 0.000 0.409 216 V N 2.615 122.580 119.914 0.085 0.000 3.166 216 V HA 0.602 4.718 4.120 -0.007 0.000 0.317 216 V C 0.045 176.118 176.094 -0.035 0.000 1.136 216 V CA -0.875 61.397 62.300 -0.046 0.000 1.035 216 V CB 1.871 33.693 31.823 -0.003 0.000 1.110 216 V HN 0.448 nan 8.190 nan 0.000 0.450 217 D N 0.274 120.652 120.400 -0.037 0.000 2.708 217 D HA -0.145 4.490 4.640 -0.007 0.000 0.236 217 D C 0.565 176.872 176.300 0.012 0.000 1.146 217 D CA 1.457 55.459 54.000 0.003 0.000 0.662 217 D CB -1.606 39.217 40.800 0.039 0.000 1.059 217 D HN 1.264 nan 8.370 nan 0.000 0.428 218 T N -3.070 111.444 114.554 -0.067 0.000 2.874 218 T HA 0.373 4.719 4.350 -0.007 0.000 0.281 218 T C 0.292 175.043 174.700 0.084 0.000 0.994 218 T CA -0.766 61.310 62.100 -0.039 0.000 1.015 218 T CB 2.631 71.301 68.868 -0.330 0.000 1.028 218 T HN 0.157 nan 8.240 nan 0.000 0.523 219 Q N 0.817 120.731 119.800 0.190 0.000 2.243 219 Q HA 0.519 4.855 4.340 -0.007 0.000 0.252 219 Q C -1.426 174.670 176.000 0.161 0.000 0.909 219 Q CA -0.788 55.137 55.803 0.204 0.000 0.922 219 Q CB 1.190 30.135 28.738 0.345 0.000 1.215 219 Q HN 0.631 nan 8.270 nan 0.000 0.427 220 V N 4.271 124.226 119.914 0.068 0.000 2.435 220 V HA 0.457 4.573 4.120 -0.007 0.000 0.290 220 V C -0.472 175.660 176.094 0.063 0.000 1.030 220 V CA -0.640 61.635 62.300 -0.042 0.000 0.881 220 V CB 1.760 33.499 31.823 -0.140 0.000 0.983 220 V HN 0.587 nan 8.190 nan 0.000 0.445 221 V N 5.891 125.875 119.914 0.118 0.000 2.588 221 V HA 0.483 4.599 4.120 -0.007 0.000 0.304 221 V C -0.212 175.989 176.094 0.179 0.000 1.042 221 V CA -0.612 61.803 62.300 0.191 0.000 0.877 221 V CB 1.930 33.949 31.823 0.326 0.000 0.996 221 V HN 0.641 nan 8.190 nan 0.000 0.425 222 L N 3.564 124.888 121.223 0.168 0.000 2.350 222 L HA 0.742 5.078 4.340 -0.007 0.000 0.275 222 L C 0.492 177.540 176.870 0.296 0.000 1.099 222 L CA -0.346 54.589 54.840 0.157 0.000 0.808 222 L CB 1.304 43.436 42.059 0.121 0.000 1.149 222 L HN 0.755 nan 8.230 nan 0.000 0.442 223 A N 4.938 127.864 122.820 0.177 0.000 2.267 223 A HA 0.577 4.893 4.320 -0.007 0.000 0.315 223 A C -0.471 177.373 177.584 0.433 0.000 1.297 223 A CA -0.466 51.699 52.037 0.213 0.000 0.865 223 A CB 0.878 19.542 19.000 -0.560 0.000 1.165 223 A HN 0.788 nan 8.150 nan 0.000 0.513 224 M N 6.305 126.224 119.600 0.533 0.000 2.129 224 M HA 0.438 4.914 4.480 -0.007 0.000 0.348 224 M C -2.570 174.006 176.300 0.461 0.000 1.116 224 M CA -2.121 53.435 55.300 0.427 0.000 1.022 224 M CB 2.018 34.797 32.600 0.298 0.000 1.599 224 M HN 0.381 nan 8.290 nan 0.000 0.449 225 P HA 0.239 nan 4.420 nan 0.000 0.288 225 P C -1.958 175.283 177.300 -0.098 0.000 1.267 225 P CA -0.122 62.912 63.100 -0.109 0.000 0.815 225 P CB 0.713 32.133 31.700 -0.467 0.000 0.989 226 Y N 0.732 120.981 120.300 -0.086 0.000 2.331 226 Y HA 0.310 4.856 4.550 -0.007 0.000 0.334 226 Y C 0.196 176.096 175.900 -0.000 0.000 0.960 226 Y CA -0.247 57.856 58.100 0.004 0.000 1.130 226 Y CB 1.383 39.875 38.460 0.054 0.000 1.164 226 Y HN 0.222 nan 8.280 nan 0.000 0.458 227 D N 1.986 122.497 120.400 0.184 0.000 2.168 227 D HA 0.421 5.057 4.640 -0.007 0.000 0.246 227 D C -0.584 175.956 176.300 0.401 0.000 1.050 227 D CA -0.219 53.934 54.000 0.256 0.000 0.857 227 D CB 1.760 42.731 40.800 0.284 0.000 1.169 227 D HN 0.364 nan 8.370 nan 0.000 0.453 228 T N 3.072 117.778 114.554 0.254 0.000 2.824 228 T HA 0.477 4.823 4.350 -0.007 0.000 0.282 228 T C -2.534 172.037 174.700 -0.215 0.000 0.993 228 T CA -1.446 60.706 62.100 0.087 0.000 0.967 228 T CB 2.125 71.030 68.868 0.060 0.000 0.960 228 T HN 0.182 nan 8.240 nan 0.000 0.441 229 P HA 0.350 nan 4.420 nan 0.000 0.279 229 P C -1.047 175.923 177.300 -0.551 0.000 1.239 229 P CA -0.429 61.989 63.100 -1.136 0.000 0.789 229 P CB 0.949 31.652 31.700 -1.662 0.000 0.933 230 V N 5.145 124.798 119.914 -0.434 0.000 2.305 230 V HA 0.258 4.373 4.120 -0.007 0.000 0.275 230 V C -2.027 173.938 176.094 -0.214 0.000 1.020 230 V CA -1.912 60.231 62.300 -0.262 0.000 0.811 230 V CB 1.389 33.108 31.823 -0.174 0.000 1.031 230 V HN 0.555 nan 8.190 nan 0.000 0.439 231 P HA 0.258 nan 4.420 nan 0.000 0.280 231 P C 0.336 177.590 177.300 -0.076 0.000 1.244 231 P CA 0.316 63.332 63.100 -0.140 0.000 0.784 231 P CB 1.716 33.328 31.700 -0.145 0.000 0.913 232 G N 2.230 111.003 108.800 -0.045 0.000 2.562 232 G HA2 0.158 4.114 3.960 -0.007 0.000 0.275 232 G HA3 0.158 4.114 3.960 -0.007 0.000 0.275 232 G C -1.219 173.697 174.900 0.027 0.000 1.196 232 G CA -0.609 44.494 45.100 0.004 0.000 0.908 232 G HN 0.523 nan 8.290 nan 0.000 0.524 233 Y N 0.462 120.727 120.300 -0.058 0.000 2.584 233 Y HA 0.288 4.834 4.550 -0.007 0.000 0.351 233 Y C 1.197 177.062 175.900 -0.058 0.000 1.030 233 Y CA -0.281 57.780 58.100 -0.065 0.000 1.332 233 Y CB 0.167 38.587 38.460 -0.068 0.000 1.148 233 Y HN 0.693 nan 8.280 nan 0.000 0.528 234 R N 2.845 123.040 120.500 -0.509 0.000 3.610 234 R HA -0.318 4.017 4.340 -0.007 0.000 0.274 234 R C -0.025 176.145 176.300 -0.216 0.000 1.123 234 R CA 1.488 57.326 56.100 -0.437 0.000 0.747 234 R CB -1.890 28.001 30.300 -0.682 0.000 1.149 234 R HN 0.943 nan 8.270 nan 0.000 0.471 235 N N -1.416 117.209 118.700 -0.126 0.000 2.170 235 N HA 0.068 4.804 4.740 -0.007 0.000 0.222 235 N C -0.271 175.201 175.510 -0.064 0.000 1.218 235 N CA -0.390 52.618 53.050 -0.070 0.000 0.889 235 N CB 0.536 39.008 38.487 -0.024 0.000 1.083 235 N HN 0.078 nan 8.380 nan 0.000 0.520 236 N N -0.114 118.542 118.700 -0.073 0.000 2.741 236 N HA -0.131 4.604 4.740 -0.007 0.000 0.251 236 N C -1.021 174.458 175.510 -0.051 0.000 1.112 236 N CA 0.586 53.601 53.050 -0.059 0.000 0.750 236 N CB -1.306 37.145 38.487 -0.059 0.000 1.119 236 N HN 0.198 nan 8.380 nan 0.000 0.561 237 V N 1.025 120.914 119.914 -0.041 0.000 2.439 237 V HA 0.486 4.601 4.120 -0.007 0.000 0.282 237 V C 0.550 176.627 176.094 -0.029 0.000 1.039 237 V CA -0.547 61.739 62.300 -0.024 0.000 0.913 237 V CB 2.247 34.081 31.823 0.018 0.000 0.983 237 V HN -0.043 nan 8.190 nan 0.000 0.460 238 V N 5.301 125.204 119.914 -0.018 0.000 2.398 238 V HA 0.429 4.544 4.120 -0.007 0.000 0.282 238 V C -0.124 175.971 176.094 0.002 0.000 1.014 238 V CA -0.834 61.425 62.300 -0.068 0.000 0.838 238 V CB 1.421 33.185 31.823 -0.099 0.000 1.018 238 V HN 0.842 nan 8.190 nan 0.000 0.432 239 N N 1.980 120.653 118.700 -0.043 0.000 2.418 239 N HA 0.575 5.311 4.740 -0.007 0.000 0.283 239 N C -0.002 175.500 175.510 -0.013 0.000 1.267 239 N CA -0.273 52.773 53.050 -0.007 0.000 0.975 239 N CB 1.174 39.612 38.487 -0.081 0.000 1.167 239 N HN 0.579 nan 8.380 nan 0.000 0.581 240 T N 0.630 115.182 114.554 -0.004 0.000 2.863 240 T HA 0.444 4.790 4.350 -0.007 0.000 0.285 240 T C -0.282 174.396 174.700 -0.036 0.000 1.009 240 T CA -0.540 61.627 62.100 0.112 0.000 0.989 240 T CB 1.271 70.336 68.868 0.328 0.000 1.004 240 T HN 0.323 nan 8.240 nan 0.000 0.455 241 M N 3.432 122.984 119.600 -0.079 0.000 2.078 241 M HA 0.511 4.986 4.480 -0.007 0.000 0.320 241 M C -0.655 175.518 176.300 -0.210 0.000 0.969 241 M CA -0.749 54.413 55.300 -0.231 0.000 0.929 241 M CB 0.882 33.294 32.600 -0.313 0.000 1.504 241 M HN 0.498 nan 8.290 nan 0.000 0.419 242 R N 4.752 125.029 120.500 -0.373 0.000 2.265 242 R HA 0.557 4.893 4.340 -0.007 0.000 0.328 242 R C -1.956 174.101 176.300 -0.405 0.000 0.969 242 R CA -0.571 55.275 56.100 -0.424 0.000 0.832 242 R CB 0.873 30.765 30.300 -0.681 0.000 1.139 242 R HN 0.636 nan 8.270 nan 0.000 0.457 243 L N 5.601 126.678 121.223 -0.243 0.000 2.313 243 L HA 0.459 4.794 4.340 -0.007 0.000 0.283 243 L C -0.978 175.867 176.870 -0.041 0.000 1.013 243 L CA -0.561 54.229 54.840 -0.082 0.000 0.816 243 L CB 1.111 43.205 42.059 0.058 0.000 1.236 243 L HN 0.614 nan 8.230 nan 0.000 0.419 244 W N 2.176 123.614 121.300 0.229 0.000 2.316 244 W HA 0.594 5.250 4.660 -0.007 0.000 0.321 244 W C 0.614 177.365 176.519 0.386 0.000 1.203 244 W CA -0.245 57.255 57.345 0.258 0.000 1.214 244 W CB 1.330 30.813 29.460 0.039 0.000 1.169 244 W HN 0.447 nan 8.180 nan 0.000 0.561 245 S N 1.766 117.882 115.700 0.693 0.000 2.482 245 S HA 0.769 5.235 4.470 -0.007 0.000 0.303 245 S C -0.493 174.459 174.600 0.587 0.000 1.091 245 S CA -0.739 57.770 58.200 0.516 0.000 1.057 245 S CB 0.656 64.104 63.200 0.414 0.000 1.031 245 S HN 0.538 nan 8.310 nan 0.000 0.485 246 A N 4.814 127.828 122.820 0.323 0.000 2.366 246 A HA 0.644 4.960 4.320 -0.007 0.000 0.272 246 A C -0.128 177.558 177.584 0.169 0.000 1.135 246 A CA -0.253 51.886 52.037 0.170 0.000 0.804 246 A CB 0.324 19.151 19.000 -0.288 0.000 1.064 246 A HN 0.651 nan 8.150 nan 0.000 0.499 247 K N 1.249 121.768 120.400 0.198 0.000 2.482 247 K HA 0.591 4.907 4.320 -0.007 0.000 0.251 247 K C -0.513 176.154 176.600 0.111 0.000 0.936 247 K CA -0.392 55.981 56.287 0.143 0.000 0.791 247 K CB 2.220 34.816 32.500 0.160 0.000 1.213 247 K HN 0.841 nan 8.250 nan 0.000 0.428 248 A N 4.431 127.296 122.820 0.075 0.000 2.371 248 A HA 0.485 4.801 4.320 -0.007 0.000 0.257 248 A C -2.068 175.548 177.584 0.054 0.000 1.089 248 A CA -1.008 51.064 52.037 0.058 0.000 0.794 248 A CB -0.239 18.782 19.000 0.036 0.000 1.029 248 A HN 0.384 nan 8.150 nan 0.000 0.488 249 P HA 0.136 nan 4.420 nan 0.000 0.274 249 P C -0.136 177.184 177.300 0.034 0.000 1.246 249 P CA -0.286 62.837 63.100 0.038 0.000 0.795 249 P CB 0.652 32.370 31.700 0.029 0.000 1.006 250 N N -0.491 118.229 118.700 0.033 0.000 2.416 250 N HA -0.051 4.684 4.740 -0.007 0.000 0.177 250 N C 0.681 176.211 175.510 0.034 0.000 1.036 250 N CA 0.097 53.167 53.050 0.033 0.000 0.901 250 N CB 0.033 38.540 38.487 0.034 0.000 0.976 250 N HN 0.617 nan 8.380 nan 0.000 0.444 261 G N -0.155 108.680 108.800 0.059 0.000 2.729 261 G HA2 0.237 4.193 3.960 -0.007 0.000 0.211 261 G HA3 0.237 4.193 3.960 -0.007 0.000 0.211 261 G C 1.385 176.333 174.900 0.079 0.000 1.182 261 G CA 1.216 46.352 45.100 0.060 0.000 0.851 261 G HN 0.257 nan 8.290 nan 0.000 0.607 262 Y N 1.518 121.820 120.300 0.003 0.000 2.060 262 Y HA -0.109 4.437 4.550 -0.007 0.000 0.276 262 Y C 2.691 178.594 175.900 0.004 0.000 1.127 262 Y CA 1.299 59.401 58.100 0.004 0.000 1.104 262 Y CB -0.319 38.143 38.460 0.003 0.000 0.983 262 Y HN 0.067 nan 8.280 nan 0.000 0.483 263 I N 0.520 120.996 120.570 -0.156 0.000 2.118 263 I HA -0.350 3.815 4.170 -0.007 0.000 0.241 263 I C 2.423 178.423 176.117 -0.194 0.000 1.070 263 I CA 1.652 62.816 61.300 -0.227 0.000 1.327 263 I CB -1.464 36.518 38.000 -0.031 0.000 1.034 263 I HN 0.410 nan 8.210 nan 0.000 0.405 264 Q N 0.389 120.128 119.800 -0.101 0.000 2.096 264 Q HA -0.151 4.185 4.340 -0.007 0.000 0.204 264 Q C 2.376 178.320 176.000 -0.093 0.000 0.982 264 Q CA 1.964 57.722 55.803 -0.075 0.000 0.850 264 Q CB -0.366 28.351 28.738 -0.036 0.000 0.901 264 Q HN 0.569 nan 8.270 nan 0.000 0.422 265 A N -0.035 122.718 122.820 -0.111 0.000 1.908 265 A HA -0.146 4.169 4.320 -0.007 0.000 0.218 265 A C 2.406 179.911 177.584 -0.131 0.000 1.181 265 A CA 1.714 53.693 52.037 -0.097 0.000 0.627 265 A CB -0.669 18.287 19.000 -0.074 0.000 0.818 265 A HN 0.232 nan 8.150 nan 0.000 0.445 266 V N 0.136 119.908 119.914 -0.236 0.000 2.358 266 V HA -0.232 3.883 4.120 -0.007 0.000 0.246 266 V C 2.526 178.547 176.094 -0.122 0.000 1.047 266 V CA 1.855 64.028 62.300 -0.211 0.000 1.035 266 V CB -0.753 30.865 31.823 -0.341 0.000 0.658 266 V HN 0.571 nan 8.190 nan 0.000 0.452 267 L N -0.187 120.967 121.223 -0.114 0.000 2.131 267 L HA -0.154 4.182 4.340 -0.007 0.000 0.210 267 L C 2.059 178.902 176.870 -0.045 0.000 1.092 267 L CA 1.244 56.044 54.840 -0.067 0.000 0.759 267 L CB -0.699 41.325 42.059 -0.058 0.000 0.903 267 L HN 0.336 nan 8.230 nan 0.000 0.435 268 D N 0.042 120.413 120.400 -0.049 0.000 2.371 268 D HA -0.086 4.550 4.640 -0.007 0.000 0.221 268 D C 2.149 178.436 176.300 -0.022 0.000 0.986 268 D CA 0.487 54.468 54.000 -0.032 0.000 0.899 268 D CB -0.012 40.769 40.800 -0.031 0.000 0.902 268 D HN 0.255 nan 8.370 nan 0.000 0.530 269 R N 0.477 120.963 120.500 -0.024 0.000 2.127 269 R HA -0.039 4.297 4.340 -0.007 0.000 0.238 269 R C 1.602 177.902 176.300 -0.000 0.000 1.134 269 R CA 0.665 56.759 56.100 -0.009 0.000 0.975 269 R CB -0.107 30.187 30.300 -0.009 0.000 0.865 269 R HN 0.165 nan 8.270 nan 0.000 0.447 270 N N 0.585 119.284 118.700 -0.002 0.000 2.519 270 N HA -0.128 4.608 4.740 -0.007 0.000 0.186 270 N C 1.383 176.894 175.510 0.002 0.000 1.062 270 N CA 0.754 53.809 53.050 0.007 0.000 0.910 270 N CB 0.054 38.547 38.487 0.010 0.000 0.958 270 N HN 0.111 nan 8.380 nan 0.000 0.445 271 L N 1.019 122.239 121.223 -0.005 0.000 2.056 271 L HA -0.049 4.287 4.340 -0.007 0.000 0.207 271 L C 2.323 179.180 176.870 -0.022 0.000 1.078 271 L CA 1.248 56.081 54.840 -0.010 0.000 0.749 271 L CB -0.792 41.260 42.059 -0.011 0.000 0.901 271 L HN 0.076 nan 8.230 nan 0.000 0.433 272 A N -1.094 121.715 122.820 -0.018 0.000 1.930 272 A HA -0.119 4.197 4.320 -0.007 0.000 0.215 272 A C 2.044 179.597 177.584 -0.052 0.000 1.176 272 A CA 1.038 53.054 52.037 -0.034 0.000 0.632 272 A CB -0.383 18.621 19.000 0.006 0.000 0.819 272 A HN 0.509 nan 8.150 nan 0.000 0.445 273 E N 0.327 120.517 120.200 -0.018 0.000 2.418 273 E HA -0.085 4.261 4.350 -0.007 0.000 0.197 273 E C 0.811 177.404 176.600 -0.011 0.000 1.026 273 E CA 0.259 56.654 56.400 -0.009 0.000 0.862 273 E CB -0.185 29.532 29.700 0.029 0.000 0.799 273 E HN 0.444 nan 8.360 nan 0.000 0.518 274 N N 1.063 119.755 118.700 -0.013 0.000 2.520 274 N HA -0.056 4.680 4.740 -0.007 0.000 0.185 274 N C 1.617 177.128 175.510 0.002 0.000 1.068 274 N CA 0.504 53.563 53.050 0.015 0.000 0.911 274 N CB -0.012 38.483 38.487 0.014 0.000 0.961 274 N HN 0.278 nan 8.380 nan 0.000 0.446 275 I N 0.344 120.856 120.570 -0.097 0.000 2.208 275 I HA -0.239 3.927 4.170 -0.007 0.000 0.245 275 I C 1.376 177.450 176.117 -0.072 0.000 1.097 275 I CA 1.217 62.420 61.300 -0.162 0.000 1.363 275 I CB -0.175 37.550 38.000 -0.459 0.000 1.051 275 I HN 0.122 nan 8.210 nan 0.000 0.413 276 S N -0.477 115.180 115.700 -0.071 0.000 2.583 276 S HA 0.183 4.648 4.470 -0.007 0.000 0.239 276 S C 1.450 176.178 174.600 0.213 0.000 0.966 276 S CA -0.540 57.700 58.200 0.066 0.000 0.973 276 S CB 0.269 63.498 63.200 0.048 0.000 0.794 276 S HN 0.199 nan 8.310 nan 0.000 0.463 277 R N 1.368 122.002 120.500 0.223 0.000 2.062 277 R HA 0.256 4.592 4.340 -0.007 0.000 0.229 277 R C 0.464 177.031 176.300 0.445 0.000 1.128 277 R CA 1.216 57.498 56.100 0.303 0.000 0.960 277 R CB -0.274 30.165 30.300 0.231 0.000 0.855 277 R HN 0.411 nan 8.270 nan 0.000 0.432 278 V N 0.022 120.166 119.914 0.384 0.000 3.012 278 V HA 0.375 4.490 4.120 -0.007 0.000 0.307 278 V C -1.642 174.488 176.094 0.060 0.000 1.166 278 V CA -1.385 61.083 62.300 0.280 0.000 0.974 278 V CB 1.802 33.701 31.823 0.127 0.000 1.040 278 V HN 0.147 nan 8.190 nan 0.000 0.428 279 L N 6.009 127.022 121.223 -0.349 0.000 2.380 279 L HA 0.513 4.849 4.340 -0.007 0.000 0.273 279 L C -0.946 175.790 176.870 -0.224 0.000 1.138 279 L CA 0.373 54.777 54.840 -0.727 0.000 0.832 279 L CB 0.688 42.192 42.059 -0.925 0.000 1.124 279 L HN 0.687 nan 8.230 nan 0.000 0.454 280 Y N 6.693 126.919 120.300 -0.123 0.000 2.496 280 Y HA 0.221 4.766 4.550 -0.007 0.000 0.334 280 Y C -1.338 174.561 175.900 -0.000 0.000 1.080 280 Y CA -1.343 56.753 58.100 -0.006 0.000 1.355 280 Y CB 0.434 38.914 38.460 0.033 0.000 1.193 280 Y HN 0.574 nan 8.280 nan 0.000 0.523 281 P HA -0.033 nan 4.420 nan 0.000 0.258 281 P C -0.796 176.638 177.300 0.224 0.000 1.403 281 P CA 0.267 63.478 63.100 0.185 0.000 0.826 281 P CB 0.144 32.048 31.700 0.339 0.000 1.414 282 N N 1.486 120.330 118.700 0.240 0.000 2.444 282 N HA 0.137 4.872 4.740 -0.007 0.000 0.271 282 N C -0.577 175.086 175.510 0.255 0.000 1.069 282 N CA 0.182 53.395 53.050 0.272 0.000 0.965 282 N CB 0.787 39.475 38.487 0.335 0.000 1.092 282 N HN 0.087 nan 8.380 nan 0.000 0.476 283 D N 1.233 121.806 120.400 0.289 0.000 2.349 283 D HA 0.214 4.850 4.640 -0.007 0.000 0.232 283 D C -0.274 176.266 176.300 0.399 0.000 1.071 283 D CA -0.347 53.831 54.000 0.296 0.000 0.832 283 D CB 0.230 41.204 40.800 0.289 0.000 1.086 283 D HN 0.283 nan 8.370 nan 0.000 0.504 284 N N 2.974 121.870 118.700 0.327 0.000 2.727 284 N HA -0.255 4.481 4.740 -0.007 0.000 0.249 284 N C -1.358 174.412 175.510 0.434 0.000 1.048 284 N CA 0.756 53.994 53.050 0.313 0.000 0.714 284 N CB -0.896 37.733 38.487 0.236 0.000 0.959 284 N HN 0.392 nan 8.380 nan 0.000 0.544 285 F N 0.549 120.619 119.950 0.200 0.000 2.605 285 F HA 0.425 4.948 4.527 -0.007 0.000 0.320 285 F C -1.175 174.711 175.800 0.144 0.000 1.159 285 F CA -1.142 56.944 58.000 0.144 0.000 0.999 285 F CB 0.883 39.919 39.000 0.059 0.000 1.258 285 F HN -0.017 nan 8.300 nan 0.000 0.464 286 F N 5.895 125.415 119.950 -0.718 0.000 2.404 286 F HA 0.476 4.999 4.527 -0.007 0.000 0.345 286 F C -0.423 174.965 175.800 -0.687 0.000 1.110 286 F CA -0.105 57.547 58.000 -0.579 0.000 1.130 286 F CB 0.757 39.462 39.000 -0.492 0.000 1.129 286 F HN 0.598 nan 8.300 nan 0.000 0.500 287 E N 4.270 123.806 120.200 -1.107 0.000 2.235 287 E HA 0.289 4.635 4.350 -0.007 0.000 0.252 287 E C -0.280 175.571 176.600 -1.249 0.000 0.886 287 E CA -0.734 55.123 56.400 -0.905 0.000 0.767 287 E CB 1.287 30.836 29.700 -0.251 0.000 1.205 287 E HN 0.913 nan 8.360 nan 0.000 0.421 288 G N 5.246 113.222 108.800 -1.374 0.000 3.197 288 G HA2 0.024 3.979 3.960 -0.007 0.000 0.257 288 G HA3 0.024 3.979 3.960 -0.007 0.000 0.257 288 G C -0.027 174.788 174.900 -0.142 0.000 0.835 288 G CA -0.168 44.363 45.100 -0.948 0.000 2.001 288 G HN 0.193 nan 8.290 nan 0.000 0.625 289 K N 0.511 120.893 120.400 -0.031 0.000 2.130 289 K HA 0.179 4.495 4.320 -0.007 0.000 0.268 289 K C 0.969 177.707 176.600 0.230 0.000 0.983 289 K CA -0.641 55.718 56.287 0.120 0.000 0.893 289 K CB 2.211 34.788 32.500 0.128 0.000 1.066 289 K HN 0.441 nan 8.250 nan 0.000 0.450 290 E N 1.690 121.995 120.200 0.175 0.000 2.085 290 E HA -0.214 4.132 4.350 -0.007 0.000 0.194 290 E C 1.525 178.162 176.600 0.061 0.000 0.994 290 E CA 1.027 57.488 56.400 0.102 0.000 0.801 290 E CB 0.173 29.930 29.700 0.096 0.000 0.743 290 E HN 0.401 nan 8.360 nan 0.000 0.453 291 L N 1.343 122.642 121.223 0.126 0.000 2.079 291 L HA -0.174 4.162 4.340 -0.007 0.000 0.210 291 L C 2.401 179.362 176.870 0.153 0.000 1.081 291 L CA 1.615 56.545 54.840 0.150 0.000 0.752 291 L CB -0.498 41.721 42.059 0.266 0.000 0.896 291 L HN 0.019 nan 8.230 nan 0.000 0.433 292 R N -0.435 120.100 120.500 0.057 0.000 2.081 292 R HA -0.127 4.209 4.340 -0.007 0.000 0.235 292 R C 2.230 178.561 176.300 0.053 0.000 1.131 292 R CA 1.727 57.767 56.100 -0.100 0.000 0.960 292 R CB -1.180 28.864 30.300 -0.426 0.000 0.856 292 R HN 0.435 nan 8.270 nan 0.000 0.436 293 L N 1.527 122.713 121.223 -0.061 0.000 2.083 293 L HA -0.135 4.201 4.340 -0.007 0.000 0.209 293 L C 1.935 178.742 176.870 -0.103 0.000 1.083 293 L CA 1.894 56.486 54.840 -0.413 0.000 0.752 293 L CB -0.358 41.182 42.059 -0.866 0.000 0.899 293 L HN 0.049 nan 8.230 nan 0.000 0.433 294 K N -1.012 119.382 120.400 -0.010 0.000 2.097 294 K HA -0.187 4.129 4.320 -0.007 0.000 0.206 294 K C 2.082 178.842 176.600 0.267 0.000 1.049 294 K CA 1.698 58.056 56.287 0.118 0.000 0.933 294 K CB -0.175 32.221 32.500 -0.174 0.000 0.717 294 K HN 0.523 nan 8.250 nan 0.000 0.442 295 Q N 0.668 120.587 119.800 0.197 0.000 2.084 295 Q HA -0.175 4.161 4.340 -0.007 0.000 0.202 295 Q C 1.918 178.108 176.000 0.317 0.000 0.978 295 Q CA 1.360 57.330 55.803 0.278 0.000 0.844 295 Q CB -0.001 28.919 28.738 0.304 0.000 0.898 295 Q HN 0.378 nan 8.270 nan 0.000 0.426 296 E N -0.222 120.118 120.200 0.233 0.000 2.110 296 E HA -0.209 4.136 4.350 -0.007 0.000 0.193 296 E C 1.674 178.380 176.600 0.176 0.000 0.988 296 E CA 1.002 57.522 56.400 0.200 0.000 0.804 296 E CB -0.085 29.707 29.700 0.153 0.000 0.745 296 E HN 0.328 nan 8.360 nan 0.000 0.458 297 Y N 0.164 120.506 120.300 0.069 0.000 2.286 297 Y HA -0.158 4.388 4.550 -0.007 0.000 0.293 297 Y C 1.914 177.836 175.900 0.036 0.000 1.124 297 Y CA 0.804 58.892 58.100 -0.021 0.000 1.178 297 Y CB -0.318 38.084 38.460 -0.097 0.000 1.010 297 Y HN -0.000 nan 8.280 nan 0.000 0.536 298 F N -0.243 119.692 119.950 -0.024 0.000 2.065 298 F HA -0.257 4.266 4.527 -0.007 0.000 0.298 298 F C 2.466 178.114 175.800 -0.252 0.000 1.112 298 F CA 2.055 60.002 58.000 -0.089 0.000 1.212 298 F CB -1.047 38.052 39.000 0.166 0.000 0.975 298 F HN -0.052 nan 8.300 nan 0.000 0.476 299 V N -0.515 119.372 119.914 -0.046 0.000 2.427 299 V HA -0.200 3.916 4.120 -0.007 0.000 0.248 299 V C 2.188 178.137 176.094 -0.242 0.000 1.051 299 V CA 1.906 64.148 62.300 -0.097 0.000 1.048 299 V CB -0.347 31.607 31.823 0.217 0.000 0.666 299 V HN 0.257 nan 8.190 nan 0.000 0.456 300 V N 0.451 120.222 119.914 -0.238 0.000 2.307 300 V HA -0.174 3.942 4.120 -0.007 0.000 0.245 300 V C 2.807 178.632 176.094 -0.450 0.000 1.045 300 V CA 2.103 64.242 62.300 -0.268 0.000 1.024 300 V CB -1.148 30.573 31.823 -0.169 0.000 0.651 300 V HN 0.635 nan 8.190 nan 0.000 0.449 301 A N -0.045 122.330 122.820 -0.742 0.000 1.877 301 A HA -0.128 4.188 4.320 -0.007 0.000 0.216 301 A C 2.416 179.618 177.584 -0.636 0.000 1.186 301 A CA 2.223 53.820 52.037 -0.733 0.000 0.620 301 A CB -0.873 17.474 19.000 -1.087 0.000 0.822 301 A HN 0.565 nan 8.150 nan 0.000 0.443 302 A N -1.074 121.209 122.820 -0.895 0.000 1.877 302 A HA -0.077 4.239 4.320 -0.007 0.000 0.216 302 A C 2.323 179.401 177.584 -0.844 0.000 1.186 302 A CA 2.324 53.645 52.037 -1.193 0.000 0.620 302 A CB -1.338 16.285 19.000 -2.295 0.000 0.822 302 A HN 0.434 nan 8.150 nan 0.000 0.443 303 T N 0.525 114.717 114.554 -0.603 0.000 2.708 303 T HA -0.101 4.245 4.350 -0.007 0.000 0.266 303 T C 1.815 176.230 174.700 -0.474 0.000 1.037 303 T CA 1.469 63.318 62.100 -0.418 0.000 1.146 303 T CB -0.395 68.220 68.868 -0.423 0.000 0.865 303 T HN 0.341 nan 8.240 nan 0.000 0.435 304 L N 0.662 121.659 121.223 -0.377 0.000 2.083 304 L HA -0.150 4.186 4.340 -0.007 0.000 0.209 304 L C 2.885 179.630 176.870 -0.208 0.000 1.083 304 L CA 1.359 56.033 54.840 -0.276 0.000 0.752 304 L CB -0.505 41.430 42.059 -0.206 0.000 0.899 304 L HN 0.363 nan 8.230 nan 0.000 0.433 305 Q N -0.637 119.034 119.800 -0.214 0.000 2.119 305 Q HA -0.228 4.108 4.340 -0.007 0.000 0.201 305 Q C 1.739 177.691 176.000 -0.079 0.000 0.972 305 Q CA 1.532 57.259 55.803 -0.128 0.000 0.847 305 Q CB -0.064 28.586 28.738 -0.148 0.000 0.903 305 Q HN 0.378 nan 8.270 nan 0.000 0.433 306 D N 0.641 120.985 120.400 -0.094 0.000 2.117 306 D HA -0.106 4.530 4.640 -0.007 0.000 0.197 306 D C 1.661 177.902 176.300 -0.098 0.000 0.987 306 D CA 0.900 54.896 54.000 -0.007 0.000 0.829 306 D CB -0.002 40.912 40.800 0.190 0.000 0.961 306 D HN 0.159 nan 8.370 nan 0.000 0.460 307 I N 0.177 120.587 120.570 -0.267 0.000 2.142 307 I HA -0.238 3.928 4.170 -0.007 0.000 0.240 307 I C 2.360 178.497 176.117 0.033 0.000 1.078 307 I CA 0.759 61.859 61.300 -0.334 0.000 1.343 307 I CB -0.185 37.468 38.000 -0.579 0.000 1.046 307 I HN 0.047 nan 8.210 nan 0.000 0.405 308 I N 0.351 120.987 120.570 0.111 0.000 2.226 308 I HA -0.305 3.861 4.170 -0.007 0.000 0.245 308 I C 2.788 179.067 176.117 0.271 0.000 1.100 308 I CA 1.250 62.732 61.300 0.303 0.000 1.374 308 I CB -0.424 37.693 38.000 0.195 0.000 1.057 308 I HN 0.216 nan 8.210 nan 0.000 0.413 309 R N 1.259 121.836 120.500 0.128 0.000 2.083 309 R HA -0.221 4.115 4.340 -0.007 0.000 0.237 309 R C 2.516 178.866 176.300 0.083 0.000 1.137 309 R CA 1.738 57.890 56.100 0.086 0.000 0.951 309 R CB -0.263 30.055 30.300 0.030 0.000 0.851 309 R HN 0.186 nan 8.270 nan 0.000 0.434 310 R N -0.593 119.954 120.500 0.078 0.000 2.092 310 R HA -0.163 4.173 4.340 -0.007 0.000 0.231 310 R C 2.110 178.499 176.300 0.149 0.000 1.119 310 R CA 1.581 57.730 56.100 0.081 0.000 0.970 310 R CB -0.390 29.946 30.300 0.059 0.000 0.864 310 R HN 0.307 nan 8.270 nan 0.000 0.440 311 F N 1.697 121.689 119.950 0.071 0.000 2.102 311 F HA -0.105 4.418 4.527 -0.007 0.000 0.298 311 F C 1.190 177.015 175.800 0.041 0.000 1.105 311 F CA 1.528 59.574 58.000 0.076 0.000 1.239 311 F CB -0.044 39.071 39.000 0.192 0.000 0.991 311 F HN -0.146 nan 8.300 nan 0.000 0.474 312 K N 0.275 120.609 120.400 -0.110 0.000 2.632 312 K HA 0.066 4.381 4.320 -0.007 0.000 0.196 312 K C -0.051 176.452 176.600 -0.162 0.000 1.023 312 K CA 0.388 56.528 56.287 -0.245 0.000 1.098 312 K CB -0.359 32.117 32.500 -0.041 0.000 0.862 312 K HN 0.076 nan 8.250 nan 0.000 0.504 313 S N 0.701 116.335 115.700 -0.110 0.000 2.060 313 S HA 0.275 4.740 4.470 -0.007 0.000 0.156 313 S C -0.898 173.723 174.600 0.035 0.000 1.690 313 S CA -0.485 57.712 58.200 -0.005 0.000 1.238 313 S CB 0.939 64.177 63.200 0.063 0.000 1.150 313 S HN 0.244 nan 8.310 nan 0.000 0.437 325 N N 1.145 119.816 118.700 -0.050 0.000 2.497 325 N HA 0.264 5.000 4.740 -0.007 0.000 0.271 325 N C -0.069 175.458 175.510 0.028 0.000 1.142 325 N CA -0.745 52.330 53.050 0.041 0.000 0.965 325 N CB 0.525 39.049 38.487 0.062 0.000 1.077 325 N HN 0.224 nan 8.380 nan 0.000 0.462 326 F N 0.372 120.406 119.950 0.140 0.000 2.693 326 F HA 0.210 4.733 4.527 -0.007 0.000 0.303 326 F C 0.885 176.741 175.800 0.092 0.000 1.097 326 F CA -0.322 57.742 58.000 0.108 0.000 1.330 326 F CB 0.275 39.225 39.000 -0.083 0.000 1.067 326 F HN 0.454 nan 8.300 nan 0.000 0.565 327 D N 0.313 120.843 120.400 0.217 0.000 2.219 327 D HA -0.130 4.506 4.640 -0.007 0.000 0.205 327 D C 2.154 178.539 176.300 0.142 0.000 0.970 327 D CA 1.133 55.222 54.000 0.148 0.000 0.851 327 D CB 0.017 40.881 40.800 0.107 0.000 0.943 327 D HN 0.228 nan 8.370 nan 0.000 0.488 328 A N -0.666 122.263 122.820 0.181 0.000 2.275 328 A HA 0.109 4.425 4.320 -0.007 0.000 0.212 328 A C 1.544 179.224 177.584 0.160 0.000 1.201 328 A CA -0.301 51.839 52.037 0.171 0.000 0.843 328 A CB -0.731 18.387 19.000 0.196 0.000 0.873 328 A HN 0.224 nan 8.150 nan 0.000 0.492 329 F N 1.859 121.759 119.950 -0.084 0.000 2.065 329 F HA -0.145 4.377 4.527 -0.007 0.000 0.298 329 F C -0.786 174.904 175.800 -0.183 0.000 1.112 329 F CA 2.515 60.279 58.000 -0.395 0.000 1.212 329 F CB -0.598 38.198 39.000 -0.340 0.000 0.975 329 F HN 0.197 nan 8.300 nan 0.000 0.476 330 P HA -0.113 nan 4.420 nan 0.000 0.222 330 P C 0.711 177.962 177.300 -0.082 0.000 1.147 330 P CA 1.578 64.645 63.100 -0.054 0.000 0.790 330 P CB -0.054 31.644 31.700 -0.005 0.000 0.780 331 D N -1.102 119.270 120.400 -0.046 0.000 2.323 331 D HA -0.012 4.624 4.640 -0.007 0.000 0.209 331 D C 1.421 177.700 176.300 -0.034 0.000 0.973 331 D CA 0.842 54.829 54.000 -0.021 0.000 0.874 331 D CB 0.154 40.964 40.800 0.017 0.000 0.930 331 D HN 0.156 nan 8.370 nan 0.000 0.521 332 K N 0.117 120.470 120.400 -0.079 0.000 2.402 332 K HA 0.218 4.534 4.320 -0.007 0.000 0.203 332 K C -0.062 176.433 176.600 -0.175 0.000 1.077 332 K CA 0.039 56.291 56.287 -0.059 0.000 1.051 332 K CB 2.417 34.991 32.500 0.124 0.000 0.907 332 K HN -0.068 nan 8.250 nan 0.000 0.554 333 V N 0.817 120.534 119.914 -0.328 0.000 2.760 333 V HA 0.660 4.776 4.120 -0.007 0.000 0.309 333 V C -1.212 174.769 176.094 -0.188 0.000 1.077 333 V CA -1.271 60.826 62.300 -0.337 0.000 0.910 333 V CB 1.943 33.255 31.823 -0.852 0.000 1.008 333 V HN 0.107 nan 8.190 nan 0.000 0.424 334 A N 5.479 128.241 122.820 -0.097 0.000 2.359 334 A HA 0.914 5.229 4.320 -0.007 0.000 0.303 334 A C -1.080 176.517 177.584 0.021 0.000 1.066 334 A CA -0.414 51.602 52.037 -0.034 0.000 0.730 334 A CB 1.038 19.951 19.000 -0.144 0.000 1.211 334 A HN 0.756 nan 8.150 nan 0.000 0.439 335 I N 1.915 122.556 120.570 0.119 0.000 2.382 335 I HA 0.329 4.494 4.170 -0.007 0.000 0.286 335 I C -0.322 175.895 176.117 0.166 0.000 1.002 335 I CA -0.590 60.798 61.300 0.147 0.000 1.135 335 I CB 1.967 40.041 38.000 0.123 0.000 1.288 335 I HN 0.702 nan 8.210 nan 0.000 0.448 336 Q N 6.055 125.951 119.800 0.161 0.000 2.325 336 Q HA 0.462 4.798 4.340 -0.007 0.000 0.262 336 Q C -1.467 174.536 176.000 0.007 0.000 0.968 336 Q CA -0.518 55.411 55.803 0.209 0.000 0.877 336 Q CB 1.327 30.317 28.738 0.420 0.000 1.253 336 Q HN 0.437 nan 8.270 nan 0.000 0.448 337 L N 4.184 125.449 121.223 0.070 0.000 2.261 337 L HA 0.342 4.678 4.340 -0.007 0.000 0.289 337 L C -0.241 176.648 176.870 0.032 0.000 1.059 337 L CA -0.189 54.680 54.840 0.048 0.000 0.816 337 L CB 0.638 42.784 42.059 0.145 0.000 1.191 337 L HN 0.598 nan 8.230 nan 0.000 0.431 338 N N 4.093 122.732 118.700 -0.102 0.000 2.482 338 N HA 0.163 4.898 4.740 -0.007 0.000 0.242 338 N C -0.146 175.391 175.510 0.045 0.000 1.100 338 N CA 0.458 53.506 53.050 -0.003 0.000 0.946 338 N CB -0.095 38.319 38.487 -0.121 0.000 1.227 338 N HN 0.577 nan 8.380 nan 0.000 0.508 339 D N -0.024 120.486 120.400 0.182 0.000 4.259 339 D HA -0.219 4.417 4.640 -0.007 0.000 0.290 339 D C 0.324 176.742 176.300 0.196 0.000 2.199 339 D CA 1.509 55.608 54.000 0.165 0.000 1.194 339 D CB -0.639 40.011 40.800 -0.251 0.000 1.003 339 D HN 0.481 nan 8.370 nan 0.000 1.204 340 T N -2.482 112.134 114.554 0.103 0.000 3.107 340 T HA 0.123 4.469 4.350 -0.007 0.000 0.249 340 T C 1.672 176.473 174.700 0.169 0.000 1.096 340 T CA 1.442 63.586 62.100 0.074 0.000 1.012 340 T CB -0.524 68.348 68.868 0.007 0.000 0.977 340 T HN 0.516 nan 8.240 nan 0.000 0.527 341 H N 2.644 121.807 119.070 0.155 0.000 2.353 341 H HA -0.023 4.529 4.556 -0.007 0.000 0.298 341 H C -0.779 174.640 175.328 0.151 0.000 1.103 341 H CA 1.133 57.286 56.048 0.175 0.000 1.293 341 H CB -0.772 29.094 29.762 0.174 0.000 1.372 341 H HN 0.446 nan 8.280 nan 0.000 0.501 342 P HA 0.088 nan 4.420 nan 0.000 0.262 342 P C 0.720 178.068 177.300 0.079 0.000 1.651 342 P CA 0.371 63.554 63.100 0.139 0.000 1.119 342 P CB 0.464 32.237 31.700 0.122 0.000 1.552 343 S N -0.076 115.666 115.700 0.069 0.000 2.440 343 S HA -0.122 4.344 4.470 -0.007 0.000 0.238 343 S C 1.798 176.401 174.600 0.005 0.000 1.010 343 S CA 0.736 58.938 58.200 0.002 0.000 0.972 343 S CB -1.450 61.728 63.200 -0.036 0.000 0.774 343 S HN 0.151 nan 8.310 nan 0.000 0.501 344 L N 0.946 122.183 121.223 0.023 0.000 2.549 344 L HA 0.027 4.363 4.340 -0.007 0.000 0.229 344 L C 2.893 179.792 176.870 0.048 0.000 1.158 344 L CA 0.607 55.460 54.840 0.023 0.000 0.842 344 L CB -0.744 41.327 42.059 0.020 0.000 0.952 344 L HN 0.479 nan 8.230 nan 0.000 0.452 345 A N 0.520 123.352 122.820 0.020 0.000 1.972 345 A HA -0.175 4.140 4.320 -0.007 0.000 0.219 345 A C 2.180 179.762 177.584 -0.003 0.000 1.169 345 A CA 1.345 53.381 52.037 -0.002 0.000 0.635 345 A CB -0.412 18.581 19.000 -0.012 0.000 0.810 345 A HN 0.368 nan 8.150 nan 0.000 0.446 346 I N 0.318 120.888 120.570 0.001 0.000 2.113 346 I HA -0.149 4.017 4.170 -0.007 0.000 0.238 346 I C -0.323 175.810 176.117 0.027 0.000 1.070 346 I CA 1.567 62.867 61.300 -0.001 0.000 1.332 346 I CB -0.997 37.007 38.000 0.006 0.000 1.044 346 I HN 0.261 nan 8.210 nan 0.000 0.402 347 P HA -0.153 nan 4.420 nan 0.000 0.222 347 P C 1.264 178.585 177.300 0.034 0.000 1.153 347 P CA 1.423 64.555 63.100 0.054 0.000 0.798 347 P CB 0.061 31.812 31.700 0.085 0.000 0.796 348 E N 0.461 120.743 120.200 0.136 0.000 2.072 348 E HA -0.150 4.195 4.350 -0.007 0.000 0.191 348 E C 1.933 178.515 176.600 -0.030 0.000 0.985 348 E CA 0.682 57.176 56.400 0.157 0.000 0.801 348 E CB -1.208 28.625 29.700 0.221 0.000 0.750 348 E HN 0.009 nan 8.360 nan 0.000 0.452 349 L N -0.090 121.086 121.223 -0.078 0.000 2.093 349 L HA -0.070 4.266 4.340 -0.007 0.000 0.208 349 L C 2.066 178.791 176.870 -0.241 0.000 1.085 349 L CA 1.681 56.415 54.840 -0.175 0.000 0.755 349 L CB -0.474 41.486 42.059 -0.165 0.000 0.904 349 L HN 0.230 nan 8.230 nan 0.000 0.435 350 M N -0.820 118.655 119.600 -0.208 0.000 2.132 350 M HA -0.184 4.291 4.480 -0.007 0.000 0.263 350 M C 2.431 178.563 176.300 -0.281 0.000 1.065 350 M CA 1.485 56.609 55.300 -0.294 0.000 1.122 350 M CB -1.118 31.292 32.600 -0.318 0.000 1.365 350 M HN 0.333 nan 8.290 nan 0.000 0.411 351 R N 0.090 120.453 120.500 -0.230 0.000 2.083 351 R HA -0.136 4.200 4.340 -0.007 0.000 0.237 351 R C 2.031 178.225 176.300 -0.178 0.000 1.137 351 R CA 1.684 57.652 56.100 -0.221 0.000 0.951 351 R CB -0.189 29.929 30.300 -0.303 0.000 0.851 351 R HN 0.202 nan 8.270 nan 0.000 0.434 352 V N 1.399 121.205 119.914 -0.180 0.000 2.295 352 V HA -0.244 3.872 4.120 -0.007 0.000 0.246 352 V C 2.401 178.332 176.094 -0.272 0.000 1.049 352 V CA 1.685 63.872 62.300 -0.188 0.000 1.024 352 V CB -0.389 31.315 31.823 -0.198 0.000 0.648 352 V HN 0.345 nan 8.190 nan 0.000 0.447 353 L N -0.626 120.373 121.223 -0.373 0.000 2.056 353 L HA -0.110 4.226 4.340 -0.007 0.000 0.207 353 L C 2.385 179.082 176.870 -0.289 0.000 1.078 353 L CA 1.068 55.629 54.840 -0.464 0.000 0.749 353 L CB -0.553 41.181 42.059 -0.541 0.000 0.901 353 L HN 0.211 nan 8.230 nan 0.000 0.433 354 V N -0.681 119.099 119.914 -0.224 0.000 2.379 354 V HA -0.165 3.951 4.120 -0.007 0.000 0.243 354 V C 1.925 177.980 176.094 -0.065 0.000 1.035 354 V CA 1.566 63.795 62.300 -0.119 0.000 1.035 354 V CB -0.307 31.467 31.823 -0.082 0.000 0.673 354 V HN 0.336 nan 8.190 nan 0.000 0.457 355 D N 0.009 120.364 120.400 -0.076 0.000 2.137 355 D HA 0.012 4.647 4.640 -0.007 0.000 0.202 355 D C 2.052 178.328 176.300 -0.040 0.000 0.970 355 D CA 1.147 55.121 54.000 -0.042 0.000 0.837 355 D CB 0.072 40.844 40.800 -0.047 0.000 0.981 355 D HN 0.315 nan 8.370 nan 0.000 0.475 356 L N 0.217 121.401 121.223 -0.065 0.000 2.286 356 L HA 0.109 4.445 4.340 -0.007 0.000 0.203 356 L C 1.874 178.720 176.870 -0.040 0.000 1.068 356 L CA 0.540 55.352 54.840 -0.046 0.000 0.811 356 L CB 0.005 42.036 42.059 -0.048 0.000 0.989 356 L HN -0.183 nan 8.230 nan 0.000 0.467 357 E N 0.613 120.759 120.200 -0.090 0.000 2.442 357 E HA 0.032 4.378 4.350 -0.007 0.000 0.195 357 E C 0.169 176.753 176.600 -0.027 0.000 1.030 357 E CA -0.010 56.355 56.400 -0.058 0.000 0.869 357 E CB 0.268 29.840 29.700 -0.213 0.000 0.857 357 E HN 0.233 nan 8.360 nan 0.000 0.505 358 R N 0.001 120.474 120.500 -0.044 0.000 3.531 358 R HA -0.190 4.146 4.340 -0.007 0.000 0.280 358 R C -0.505 175.792 176.300 -0.005 0.000 1.130 358 R CA 0.249 56.342 56.100 -0.011 0.000 0.757 358 R CB -2.499 27.810 30.300 0.015 0.000 1.218 358 R HN 0.041 nan 8.270 nan 0.000 0.454 359 L N 1.778 122.974 121.223 -0.045 0.000 2.421 359 L HA 0.187 4.523 4.340 -0.007 0.000 0.263 359 L C 1.319 178.190 176.870 0.003 0.000 1.122 359 L CA 0.053 54.877 54.840 -0.026 0.000 0.804 359 L CB 0.462 42.467 42.059 -0.089 0.000 1.150 359 L HN 0.119 nan 8.230 nan 0.000 0.457 360 D N 0.294 120.718 120.400 0.040 0.000 2.357 360 D HA -0.132 4.504 4.640 -0.007 0.000 0.242 360 D C 0.905 177.276 176.300 0.119 0.000 1.153 360 D CA -0.508 53.548 54.000 0.093 0.000 0.918 360 D CB 0.767 41.626 40.800 0.099 0.000 1.181 360 D HN 0.595 nan 8.370 nan 0.000 0.435 361 W N 1.919 123.224 121.300 0.008 0.000 2.315 361 W HA -0.237 4.419 4.660 -0.007 0.000 0.323 361 W C 1.171 177.735 176.519 0.074 0.000 1.233 361 W CA 1.975 59.331 57.345 0.018 0.000 1.267 361 W CB -0.395 29.054 29.460 -0.018 0.000 1.160 361 W HN 0.457 nan 8.180 nan 0.000 0.474 362 D N 0.287 120.912 120.400 0.376 0.000 2.158 362 D HA -0.213 4.423 4.640 -0.007 0.000 0.197 362 D C 2.026 178.436 176.300 0.183 0.000 0.995 362 D CA 1.511 55.694 54.000 0.305 0.000 0.846 362 D CB -0.435 40.508 40.800 0.238 0.000 0.941 362 D HN 0.074 nan 8.370 nan 0.000 0.456 363 K N 0.941 121.405 120.400 0.107 0.000 2.025 363 K HA 0.021 4.337 4.320 -0.007 0.000 0.207 363 K C 1.966 178.562 176.600 -0.006 0.000 1.049 363 K CA 1.015 57.336 56.287 0.057 0.000 0.933 363 K CB -0.409 32.119 32.500 0.048 0.000 0.714 363 K HN 0.042 nan 8.250 nan 0.000 0.438 364 A N 0.733 123.506 122.820 -0.077 0.000 1.933 364 A HA -0.187 4.129 4.320 -0.007 0.000 0.218 364 A C 2.169 179.659 177.584 -0.156 0.000 1.175 364 A CA 1.326 53.247 52.037 -0.194 0.000 0.628 364 A CB -1.023 17.792 19.000 -0.309 0.000 0.814 364 A HN 0.654 nan 8.150 nan 0.000 0.444 365 W N 0.610 121.702 121.300 -0.347 0.000 2.381 365 W HA -0.149 4.507 4.660 -0.007 0.000 0.301 365 W C 1.953 178.415 176.519 -0.096 0.000 1.205 365 W CA 1.710 58.900 57.345 -0.257 0.000 1.285 365 W CB -0.075 29.279 29.460 -0.177 0.000 1.133 365 W HN 0.594 nan 8.180 nan 0.000 0.521 366 E N 0.119 120.311 120.200 -0.014 0.000 2.077 366 E HA -0.216 4.130 4.350 -0.007 0.000 0.193 366 E C 2.047 178.569 176.600 -0.131 0.000 0.989 366 E CA 1.754 58.109 56.400 -0.076 0.000 0.800 366 E CB -0.250 29.465 29.700 0.026 0.000 0.746 366 E HN 0.064 nan 8.360 nan 0.000 0.452 367 V N 0.673 120.525 119.914 -0.102 0.000 2.343 367 V HA -0.242 3.873 4.120 -0.007 0.000 0.247 367 V C 2.379 178.404 176.094 -0.114 0.000 1.051 367 V CA 2.142 64.399 62.300 -0.072 0.000 1.036 367 V CB -0.709 31.066 31.823 -0.081 0.000 0.654 367 V HN 0.366 nan 8.190 nan 0.000 0.451 368 T N 0.043 114.458 114.554 -0.231 0.000 2.708 368 T HA -0.177 4.169 4.350 -0.007 0.000 0.266 368 T C 1.955 176.472 174.700 -0.305 0.000 1.037 368 T CA 1.744 63.683 62.100 -0.269 0.000 1.146 368 T CB -0.273 68.384 68.868 -0.352 0.000 0.865 368 T HN 0.277 nan 8.240 nan 0.000 0.435 369 V N 1.485 121.101 119.914 -0.496 0.000 2.343 369 V HA -0.179 3.937 4.120 -0.007 0.000 0.247 369 V C 2.343 178.390 176.094 -0.079 0.000 1.051 369 V CA 1.642 63.709 62.300 -0.388 0.000 1.036 369 V CB -0.489 31.036 31.823 -0.497 0.000 0.654 369 V HN 0.484 nan 8.190 nan 0.000 0.451 370 K N -0.496 119.841 120.400 -0.105 0.000 2.362 370 K HA -0.079 4.237 4.320 -0.007 0.000 0.200 370 K C 2.049 178.616 176.600 -0.055 0.000 1.046 370 K CA 1.499 57.704 56.287 -0.136 0.000 0.952 370 K CB -0.194 32.229 32.500 -0.129 0.000 0.753 370 K HN 0.470 nan 8.250 nan 0.000 0.466 371 T N 0.217 114.800 114.554 0.048 0.000 2.976 371 T HA 0.029 4.375 4.350 -0.007 0.000 0.257 371 T C 0.923 175.733 174.700 0.182 0.000 1.051 371 T CA 0.338 62.505 62.100 0.112 0.000 1.141 371 T CB 0.107 69.080 68.868 0.176 0.000 0.881 371 T HN 0.168 nan 8.240 nan 0.000 0.461 372 C N 2.348 121.739 119.300 0.151 0.000 2.405 372 C HA 0.885 5.341 4.460 -0.007 0.000 0.365 372 C C 0.568 175.621 174.990 0.105 0.000 1.233 372 C CA -1.270 57.821 59.018 0.121 0.000 2.230 372 C CB 0.150 27.901 27.740 0.018 0.000 2.443 372 C HN 0.580 nan 8.230 nan 0.000 0.556 373 A N 1.913 124.788 122.820 0.092 0.000 2.486 373 A HA 0.739 5.055 4.320 -0.007 0.000 0.300 373 A C -1.527 176.133 177.584 0.127 0.000 1.048 373 A CA -0.408 51.629 52.037 -0.000 0.000 0.696 373 A CB 0.992 20.019 19.000 0.045 0.000 1.278 373 A HN 0.942 nan 8.150 nan 0.000 0.405 374 Y N 1.219 121.474 120.300 -0.076 0.000 2.376 374 Y HA 0.644 5.190 4.550 -0.007 0.000 0.340 374 Y C -0.468 175.425 175.900 -0.010 0.000 0.965 374 Y CA -0.296 57.777 58.100 -0.045 0.000 1.078 374 Y CB 2.045 40.439 38.460 -0.109 0.000 1.193 374 Y HN 0.557 nan 8.280 nan 0.000 0.452 375 T N 6.650 120.973 114.554 -0.384 0.000 2.770 375 T HA 0.178 4.524 4.350 -0.007 0.000 0.283 375 T C -0.782 173.453 174.700 -0.775 0.000 0.988 375 T CA -0.795 61.028 62.100 -0.460 0.000 0.957 375 T CB 0.324 69.164 68.868 -0.048 0.000 0.930 375 T HN 0.649 nan 8.240 nan 0.000 0.443 376 N N 1.883 120.127 118.700 -0.761 0.000 2.479 376 N HA 0.122 4.858 4.740 -0.007 0.000 0.285 376 N C 0.155 175.532 175.510 -0.221 0.000 1.075 376 N CA -0.276 52.556 53.050 -0.363 0.000 0.967 376 N CB 0.785 39.242 38.487 -0.051 0.000 1.137 376 N HN 0.647 nan 8.380 nan 0.000 0.472 377 H N 0.992 120.080 119.070 0.032 0.000 2.827 377 H HA 0.157 4.709 4.556 -0.007 0.000 0.269 377 H C -0.112 175.129 175.328 -0.145 0.000 1.031 377 H CA 0.165 56.185 56.048 -0.048 0.000 1.202 377 H CB 1.135 30.876 29.762 -0.036 0.000 1.511 377 H HN 0.549 nan 8.280 nan 0.000 0.517 378 T N -0.046 114.528 114.554 0.033 0.000 2.830 378 T HA 0.229 4.575 4.350 -0.007 0.000 0.322 378 T C 0.325 175.041 174.700 0.027 0.000 1.501 378 T CA -0.304 61.762 62.100 -0.055 0.000 1.036 378 T CB 1.185 70.011 68.868 -0.070 0.000 1.379 378 T HN -0.062 nan 8.240 nan 0.000 0.493 379 V N 1.060 120.957 119.914 -0.029 0.000 3.528 379 V HA 0.555 4.671 4.120 -0.007 0.000 0.294 379 V C 0.658 176.713 176.094 -0.064 0.000 1.404 379 V CA -0.216 62.053 62.300 -0.052 0.000 1.065 379 V CB -0.058 31.734 31.823 -0.051 0.000 0.904 379 V HN 0.723 nan 8.190 nan 0.000 0.435 380 I N 4.275 124.798 120.570 -0.080 0.000 2.662 380 I HA 0.159 4.325 4.170 -0.007 0.000 0.285 380 I C -0.346 175.770 176.117 -0.000 0.000 1.161 380 I CA -1.724 59.550 61.300 -0.043 0.000 1.415 380 I CB 1.040 38.986 38.000 -0.090 0.000 1.385 380 I HN 0.194 nan 8.210 nan 0.000 0.552 381 P HA -0.200 nan 4.420 nan 0.000 0.215 381 P C 0.920 178.227 177.300 0.012 0.000 1.153 381 P CA 1.488 64.595 63.100 0.010 0.000 0.853 381 P CB 0.091 31.803 31.700 0.019 0.000 0.788 382 E N 0.284 120.520 120.200 0.061 0.000 2.409 382 E HA -0.051 4.295 4.350 -0.007 0.000 0.198 382 E C 1.717 178.298 176.600 -0.033 0.000 1.024 382 E CA 1.085 57.509 56.400 0.039 0.000 0.861 382 E CB -0.922 28.909 29.700 0.218 0.000 0.788 382 E HN 0.268 nan 8.360 nan 0.000 0.521 383 A N 1.000 123.838 122.820 0.031 0.000 2.195 383 A HA 0.174 4.490 4.320 -0.007 0.000 0.210 383 A C 1.135 178.709 177.584 -0.017 0.000 1.165 383 A CA -0.294 51.773 52.037 0.050 0.000 0.806 383 A CB 0.126 19.182 19.000 0.093 0.000 0.847 383 A HN 0.102 nan 8.150 nan 0.000 0.482 384 L N 1.872 123.043 121.223 -0.086 0.000 2.455 384 L HA 0.115 4.450 4.340 -0.007 0.000 0.272 384 L C -0.032 176.512 176.870 -0.543 0.000 1.174 384 L CA 0.533 55.258 54.840 -0.190 0.000 0.869 384 L CB 0.209 42.188 42.059 -0.133 0.000 1.130 384 L HN 0.416 nan 8.230 nan 0.000 0.474 385 E N 5.101 124.885 120.200 -0.694 0.000 2.180 385 E HA 0.202 4.548 4.350 -0.007 0.000 0.283 385 E C -0.430 175.549 176.600 -1.035 0.000 1.061 385 E CA -0.205 55.324 56.400 -1.453 0.000 0.861 385 E CB 0.692 29.903 29.700 -0.814 0.000 1.056 385 E HN 0.367 nan 8.360 nan 0.000 0.407 386 R N 3.926 123.703 120.500 -1.205 0.000 2.487 386 R HA 0.184 4.519 4.340 -0.007 0.000 0.288 386 R C -1.173 174.966 176.300 -0.267 0.000 1.394 386 R CA -0.597 55.223 56.100 -0.466 0.000 1.155 386 R CB 0.781 30.930 30.300 -0.251 0.000 1.156 386 R HN 0.437 nan 8.270 nan 0.000 0.553 387 W N 4.093 125.347 121.300 -0.076 0.000 2.266 387 W HA 0.246 4.902 4.660 -0.007 0.000 0.317 387 W C -1.917 174.579 176.519 -0.038 0.000 1.310 387 W CA -1.984 55.377 57.345 0.028 0.000 1.207 387 W CB 0.538 29.990 29.460 -0.013 0.000 1.199 387 W HN 0.239 nan 8.180 nan 0.000 0.544 388 P HA -0.071 nan 4.420 nan 0.000 0.268 388 P C 0.765 178.001 177.300 -0.107 0.000 1.204 388 P CA 0.111 63.187 63.100 -0.039 0.000 0.768 388 P CB 0.806 32.340 31.700 -0.277 0.000 0.842 389 V N 3.115 123.015 119.914 -0.023 0.000 2.392 389 V HA -0.284 3.832 4.120 -0.007 0.000 0.249 389 V C 2.097 178.191 176.094 0.000 0.000 1.059 389 V CA 2.512 64.820 62.300 0.014 0.000 1.051 389 V CB -1.751 30.146 31.823 0.124 0.000 0.658 389 V HN 0.765 nan 8.190 nan 0.000 0.455 390 H N -1.065 118.062 119.070 0.095 0.000 2.489 390 H HA -0.092 4.460 4.556 -0.007 0.000 0.293 390 H C 2.004 177.380 175.328 0.079 0.000 1.066 390 H CA 1.619 57.718 56.048 0.085 0.000 1.305 390 H CB -0.520 29.293 29.762 0.084 0.000 1.386 390 H HN 0.368 nan 8.280 nan 0.000 0.551 391 L N -0.076 120.999 121.223 -0.247 0.000 2.044 391 L HA -0.046 4.290 4.340 -0.007 0.000 0.205 391 L C 2.275 179.100 176.870 -0.075 0.000 1.075 391 L CA 0.835 55.626 54.840 -0.081 0.000 0.747 391 L CB -0.163 41.843 42.059 -0.088 0.000 0.903 391 L HN 0.327 nan 8.230 nan 0.000 0.435 392 L N -0.630 120.522 121.223 -0.119 0.000 2.141 392 L HA -0.218 4.118 4.340 -0.007 0.000 0.209 392 L C 2.437 179.241 176.870 -0.111 0.000 1.094 392 L CA 1.029 55.769 54.840 -0.166 0.000 0.763 392 L CB -0.404 41.542 42.059 -0.188 0.000 0.908 392 L HN 0.326 nan 8.230 nan 0.000 0.437 393 E N -0.289 119.889 120.200 -0.036 0.000 2.077 393 E HA -0.204 4.142 4.350 -0.007 0.000 0.193 393 E C 1.902 178.535 176.600 0.054 0.000 0.989 393 E CA 1.851 58.262 56.400 0.017 0.000 0.800 393 E CB 0.169 29.919 29.700 0.084 0.000 0.746 393 E HN 0.415 nan 8.360 nan 0.000 0.452 394 T N 0.657 115.266 114.554 0.092 0.000 2.852 394 T HA -0.064 4.282 4.350 -0.007 0.000 0.256 394 T C 1.694 176.503 174.700 0.182 0.000 1.038 394 T CA 0.610 62.814 62.100 0.174 0.000 1.141 394 T CB -0.102 68.901 68.868 0.225 0.000 0.869 394 T HN 0.065 nan 8.240 nan 0.000 0.439 395 L N 0.194 121.428 121.223 0.019 0.000 2.095 395 L HA 0.337 4.673 4.340 -0.007 0.000 0.204 395 L C 0.411 177.206 176.870 -0.124 0.000 1.080 395 L CA 1.628 56.364 54.840 -0.173 0.000 0.759 395 L CB -0.031 41.892 42.059 -0.226 0.000 0.914 395 L HN 0.175 nan 8.230 nan 0.000 0.439 396 L N 0.941 122.050 121.223 -0.190 0.000 2.594 396 L HA 0.294 4.630 4.340 -0.007 0.000 0.245 396 L C -1.632 175.051 176.870 -0.313 0.000 1.460 396 L CA -0.981 53.660 54.840 -0.333 0.000 0.865 396 L CB 0.865 42.578 42.059 -0.577 0.000 1.131 396 L HN -0.039 nan 8.230 nan 0.000 0.506 397 P HA -0.233 nan 4.420 nan 0.000 0.216 397 P C 1.454 178.556 177.300 -0.330 0.000 1.150 397 P CA 1.338 64.312 63.100 -0.210 0.000 0.843 397 P CB 0.378 32.030 31.700 -0.081 0.000 0.787 398 R N -0.374 119.745 120.500 -0.635 0.000 2.090 398 R HA -0.127 4.209 4.340 -0.007 0.000 0.228 398 R C 2.358 178.351 176.300 -0.512 0.000 1.110 398 R CA 1.478 57.215 56.100 -0.605 0.000 0.973 398 R CB -1.357 28.414 30.300 -0.881 0.000 0.869 398 R HN 0.215 nan 8.270 nan 0.000 0.440 399 H N -0.144 118.607 119.070 -0.531 0.000 2.421 399 H HA -0.054 4.498 4.556 -0.007 0.000 0.298 399 H C 1.761 176.911 175.328 -0.297 0.000 1.087 399 H CA 1.587 57.410 56.048 -0.376 0.000 1.330 399 H CB -0.058 29.448 29.762 -0.428 0.000 1.388 399 H HN 0.100 nan 8.280 nan 0.000 0.526 400 L N 0.601 121.693 121.223 -0.219 0.000 2.046 400 L HA -0.233 4.102 4.340 -0.007 0.000 0.208 400 L C 1.749 178.420 176.870 -0.331 0.000 1.077 400 L CA 1.671 56.312 54.840 -0.331 0.000 0.747 400 L CB -0.325 41.558 42.059 -0.294 0.000 0.896 400 L HN 0.452 nan 8.230 nan 0.000 0.432 401 Q N -0.295 119.424 119.800 -0.135 0.000 2.084 401 Q HA -0.228 4.108 4.340 -0.007 0.000 0.202 401 Q C 2.157 178.178 176.000 0.035 0.000 0.978 401 Q CA 1.601 57.421 55.803 0.028 0.000 0.844 401 Q CB -0.088 28.669 28.738 0.032 0.000 0.898 401 Q HN 0.564 nan 8.270 nan 0.000 0.426 402 I N 0.456 121.020 120.570 -0.010 0.000 2.252 402 I HA -0.259 3.907 4.170 -0.007 0.000 0.245 402 I C 2.187 178.375 176.117 0.118 0.000 1.102 402 I CA 1.011 62.382 61.300 0.119 0.000 1.385 402 I CB -0.161 37.857 38.000 0.030 0.000 1.064 402 I HN 0.190 nan 8.210 nan 0.000 0.414 403 I N -0.372 120.188 120.570 -0.018 0.000 2.226 403 I HA -0.316 3.850 4.170 -0.007 0.000 0.245 403 I C 2.418 178.551 176.117 0.026 0.000 1.100 403 I CA 1.450 62.729 61.300 -0.035 0.000 1.374 403 I CB -0.368 37.540 38.000 -0.154 0.000 1.057 403 I HN 0.165 nan 8.210 nan 0.000 0.413 404 Y N 0.838 121.141 120.300 0.005 0.000 2.224 404 Y HA -0.261 4.285 4.550 -0.007 0.000 0.289 404 Y C 2.588 178.453 175.900 -0.058 0.000 1.146 404 Y CA 1.487 59.577 58.100 -0.017 0.000 1.182 404 Y CB -0.732 37.712 38.460 -0.028 0.000 0.983 404 Y HN 0.198 nan 8.280 nan 0.000 0.524 405 E N 0.414 120.655 120.200 0.069 0.000 2.072 405 E HA -0.133 4.213 4.350 -0.007 0.000 0.191 405 E C 2.044 178.555 176.600 -0.149 0.000 0.985 405 E CA 1.255 57.553 56.400 -0.170 0.000 0.801 405 E CB -0.526 28.908 29.700 -0.444 0.000 0.750 405 E HN 0.470 nan 8.360 nan 0.000 0.452 406 I N 0.683 121.266 120.570 0.022 0.000 2.179 406 I HA -0.281 3.885 4.170 -0.007 0.000 0.242 406 I C 2.298 178.414 176.117 -0.001 0.000 1.088 406 I CA 1.434 62.705 61.300 -0.049 0.000 1.357 406 I CB -0.462 37.516 38.000 -0.038 0.000 1.051 406 I HN 0.216 nan 8.210 nan 0.000 0.409 407 N N 0.785 119.533 118.700 0.080 0.000 2.104 407 N HA -0.273 4.463 4.740 -0.007 0.000 0.190 407 N C 1.880 177.482 175.510 0.153 0.000 1.024 407 N CA 1.588 54.739 53.050 0.167 0.000 0.853 407 N CB -0.143 38.459 38.487 0.191 0.000 1.008 407 N HN 0.317 nan 8.380 nan 0.000 0.424 408 Q N -0.070 119.763 119.800 0.055 0.000 2.050 408 Q HA -0.095 4.241 4.340 -0.007 0.000 0.202 408 Q C 1.947 177.933 176.000 -0.024 0.000 0.980 408 Q CA 1.286 57.086 55.803 -0.006 0.000 0.840 408 Q CB 0.013 28.706 28.738 -0.075 0.000 0.898 408 Q HN 0.417 nan 8.270 nan 0.000 0.424 409 R N -0.694 119.767 120.500 -0.064 0.000 2.148 409 R HA -0.115 4.221 4.340 -0.007 0.000 0.227 409 R C 2.128 178.456 176.300 0.047 0.000 1.103 409 R CA 1.065 57.124 56.100 -0.067 0.000 0.983 409 R CB -0.289 29.914 30.300 -0.161 0.000 0.874 409 R HN 0.265 nan 8.270 nan 0.000 0.451 410 F N 1.533 121.460 119.950 -0.040 0.000 2.128 410 F HA -0.059 4.463 4.527 -0.007 0.000 0.295 410 F C 1.852 177.676 175.800 0.041 0.000 1.100 410 F CA 1.231 59.256 58.000 0.041 0.000 1.260 410 F CB -0.204 38.851 39.000 0.092 0.000 1.009 410 F HN -0.141 nan 8.300 nan 0.000 0.476 411 L N 0.020 121.253 121.223 0.017 0.000 2.201 411 L HA -0.224 4.111 4.340 -0.007 0.000 0.212 411 L C 1.956 178.760 176.870 -0.110 0.000 1.105 411 L CA 1.448 56.234 54.840 -0.090 0.000 0.775 411 L CB -0.882 41.188 42.059 0.017 0.000 0.913 411 L HN 0.265 nan 8.230 nan 0.000 0.440 412 N N -0.183 118.472 118.700 -0.076 0.000 2.188 412 N HA -0.149 4.586 4.740 -0.007 0.000 0.184 412 N C 1.935 177.392 175.510 -0.089 0.000 1.018 412 N CA 0.636 53.644 53.050 -0.071 0.000 0.858 412 N CB 0.040 38.492 38.487 -0.059 0.000 0.989 412 N HN 0.252 nan 8.380 nan 0.000 0.426 413 R N 0.475 120.905 120.500 -0.118 0.000 2.092 413 R HA -0.026 4.310 4.340 -0.007 0.000 0.231 413 R C 2.089 178.286 176.300 -0.170 0.000 1.119 413 R CA 0.745 56.769 56.100 -0.126 0.000 0.970 413 R CB -0.079 30.155 30.300 -0.110 0.000 0.864 413 R HN 0.062 nan 8.270 nan 0.000 0.440 414 V N 0.477 120.243 119.914 -0.246 0.000 2.358 414 V HA -0.179 3.936 4.120 -0.007 0.000 0.246 414 V C 2.307 178.393 176.094 -0.013 0.000 1.047 414 V CA 1.867 64.084 62.300 -0.139 0.000 1.035 414 V CB -0.555 31.119 31.823 -0.247 0.000 0.658 414 V HN 0.402 nan 8.190 nan 0.000 0.452 415 A N 0.046 122.833 122.820 -0.054 0.000 1.972 415 A HA -0.080 4.235 4.320 -0.007 0.000 0.219 415 A C 2.374 179.933 177.584 -0.040 0.000 1.169 415 A CA 1.973 53.995 52.037 -0.025 0.000 0.635 415 A CB -0.614 18.363 19.000 -0.038 0.000 0.810 415 A HN 0.558 nan 8.150 nan 0.000 0.446 416 A N -0.506 122.269 122.820 -0.074 0.000 1.968 416 A HA 0.300 4.616 4.320 -0.007 0.000 0.217 416 A C 2.363 179.856 177.584 -0.152 0.000 1.169 416 A CA 1.689 53.671 52.037 -0.092 0.000 0.638 416 A CB -0.662 18.288 19.000 -0.084 0.000 0.812 416 A HN 0.959 nan 8.150 nan 0.000 0.446 417 A N -1.837 120.843 122.820 -0.234 0.000 2.021 417 A HA 0.399 4.715 4.320 -0.007 0.000 0.216 417 A C 0.395 177.521 177.584 -0.763 0.000 1.163 417 A CA 0.476 52.205 52.037 -0.514 0.000 0.676 417 A CB -0.131 18.473 19.000 -0.660 0.000 0.818 417 A HN 0.404 nan 8.150 nan 0.000 0.453 418 F N -0.162 119.741 119.950 -0.078 0.000 2.584 418 F HA 0.341 4.863 4.527 -0.007 0.000 0.328 418 F C -2.791 172.972 175.800 -0.062 0.000 1.407 418 F CA -2.959 54.999 58.000 -0.070 0.000 1.145 418 F CB 0.646 39.595 39.000 -0.085 0.000 1.440 418 F HN -0.079 nan 8.300 nan 0.000 0.580 419 P HA 0.150 nan 4.420 nan 0.000 0.261 419 P C 1.036 178.355 177.300 0.033 0.000 1.183 419 P CA 1.306 64.418 63.100 0.019 0.000 0.761 419 P CB 0.731 32.424 31.700 -0.011 0.000 0.785 420 G N 2.874 111.686 108.800 0.019 0.000 2.267 420 G HA2 -0.265 3.691 3.960 -0.007 0.000 0.257 420 G HA3 -0.265 3.691 3.960 -0.007 0.000 0.257 420 G C 0.445 175.353 174.900 0.013 0.000 0.998 420 G CA 0.104 45.211 45.100 0.013 0.000 0.620 420 G HN 0.601 nan 8.290 nan 0.000 0.529 421 D N 1.568 121.985 120.400 0.029 0.000 2.545 421 D HA 0.351 4.987 4.640 -0.007 0.000 0.227 421 D C 2.120 178.409 176.300 -0.018 0.000 1.150 421 D CA 0.480 54.481 54.000 0.002 0.000 1.046 421 D CB 0.318 41.117 40.800 -0.001 0.000 1.098 421 D HN 0.672 nan 8.370 nan 0.000 0.502 422 V N 0.616 120.521 119.914 -0.015 0.000 2.626 422 V HA -0.135 3.981 4.120 -0.007 0.000 0.252 422 V C 1.716 177.796 176.094 -0.023 0.000 1.067 422 V CA 1.550 63.840 62.300 -0.016 0.000 1.081 422 V CB -0.362 31.455 31.823 -0.010 0.000 0.686 422 V HN 0.207 nan 8.190 nan 0.000 0.468 423 D N 0.477 120.859 120.400 -0.030 0.000 2.183 423 D HA -0.146 4.489 4.640 -0.007 0.000 0.203 423 D C 2.331 178.600 176.300 -0.051 0.000 0.969 423 D CA 1.193 55.175 54.000 -0.030 0.000 0.842 423 D CB -0.209 40.573 40.800 -0.029 0.000 0.957 423 D HN 0.445 nan 8.370 nan 0.000 0.484 424 R N -0.089 120.356 120.500 -0.091 0.000 2.092 424 R HA -0.067 4.269 4.340 -0.007 0.000 0.231 424 R C 2.207 178.435 176.300 -0.121 0.000 1.119 424 R CA 0.760 56.768 56.100 -0.154 0.000 0.970 424 R CB -0.214 29.930 30.300 -0.260 0.000 0.864 424 R HN 0.261 nan 8.270 nan 0.000 0.440 425 L N 0.693 121.872 121.223 -0.074 0.000 2.012 425 L HA -0.209 4.126 4.340 -0.007 0.000 0.210 425 L C 2.675 179.545 176.870 -0.001 0.000 1.073 425 L CA 1.883 56.697 54.840 -0.043 0.000 0.748 425 L CB -0.487 41.558 42.059 -0.024 0.000 0.891 425 L HN 0.275 nan 8.230 nan 0.000 0.431 426 R N 0.079 120.584 120.500 0.010 0.000 2.115 426 R HA -0.091 4.245 4.340 -0.007 0.000 0.226 426 R C 2.126 178.471 176.300 0.076 0.000 1.100 426 R CA 0.966 57.094 56.100 0.047 0.000 0.980 426 R CB -0.576 29.746 30.300 0.038 0.000 0.875 426 R HN 0.192 nan 8.270 nan 0.000 0.445 427 R N 0.167 120.692 120.500 0.041 0.000 2.092 427 R HA 0.104 4.439 4.340 -0.007 0.000 0.231 427 R C 2.015 178.376 176.300 0.101 0.000 1.119 427 R CA 1.779 57.923 56.100 0.074 0.000 0.970 427 R CB -0.213 30.092 30.300 0.010 0.000 0.864 427 R HN 0.331 nan 8.270 nan 0.000 0.440 428 M N 0.126 119.711 119.600 -0.025 0.000 2.541 428 M HA 0.041 4.517 4.480 -0.007 0.000 0.252 428 M C 0.875 177.305 176.300 0.217 0.000 1.125 428 M CA 0.020 55.254 55.300 -0.109 0.000 1.091 428 M CB 0.420 32.807 32.600 -0.355 0.000 1.420 428 M HN -0.088 nan 8.290 nan 0.000 0.486 429 S N 0.799 116.645 115.700 0.242 0.000 2.558 429 S HA 0.014 4.480 4.470 -0.007 0.000 0.288 429 S C 0.948 175.798 174.600 0.417 0.000 1.318 429 S CA -0.337 58.042 58.200 0.298 0.000 1.056 429 S CB 0.610 63.932 63.200 0.203 0.000 0.853 429 S HN 0.232 nan 8.310 nan 0.000 0.505 430 L N 5.219 126.644 121.223 0.337 0.000 2.313 430 L HA 0.187 4.523 4.340 -0.007 0.000 0.214 430 L C 0.387 177.370 176.870 0.188 0.000 1.119 430 L CA 0.742 55.743 54.840 0.268 0.000 0.809 430 L CB -0.354 41.802 42.059 0.162 0.000 0.933 430 L HN 0.470 nan 8.230 nan 0.000 0.449 431 V N -0.011 120.026 119.914 0.204 0.000 2.383 431 V HA 0.217 4.333 4.120 -0.007 0.000 0.275 431 V C 0.165 176.351 176.094 0.153 0.000 1.036 431 V CA -0.821 61.588 62.300 0.181 0.000 0.889 431 V CB 1.386 33.349 31.823 0.234 0.000 0.985 431 V HN 0.129 nan 8.190 nan 0.000 0.459 432 E N 3.980 124.250 120.200 0.118 0.000 2.109 432 E HA 0.302 4.648 4.350 -0.007 0.000 0.278 432 E C -0.276 176.377 176.600 0.089 0.000 0.954 432 E CA -0.578 55.880 56.400 0.097 0.000 0.779 432 E CB 0.852 30.589 29.700 0.061 0.000 1.093 432 E HN 0.637 nan 8.360 nan 0.000 0.401 433 E N 1.872 122.122 120.200 0.082 0.000 2.376 433 E HA 0.523 4.868 4.350 -0.007 0.000 0.254 433 E C 0.449 177.086 176.600 0.062 0.000 1.213 433 E CA 0.150 56.592 56.400 0.070 0.000 0.945 433 E CB 1.387 31.122 29.700 0.058 0.000 1.057 433 E HN 0.817 nan 8.360 nan 0.000 0.479 434 G N -0.794 108.040 108.800 0.056 0.000 2.278 434 G HA2 0.094 4.050 3.960 -0.007 0.000 0.265 434 G HA3 0.094 4.050 3.960 -0.007 0.000 0.265 434 G C 0.525 175.457 174.900 0.052 0.000 1.329 434 G CA 0.439 45.569 45.100 0.050 0.000 1.017 434 G HN 0.495 nan 8.290 nan 0.000 0.472 435 A N -0.857 121.993 122.820 0.050 0.000 1.869 435 A HA 0.299 4.615 4.320 -0.007 0.000 0.218 435 A C 1.705 179.329 177.584 0.067 0.000 1.203 435 A CA 4.271 56.339 52.037 0.051 0.000 0.638 435 A CB -1.206 17.823 19.000 0.048 0.000 0.831 435 A HN 2.403 nan 8.150 nan 0.000 0.450 436 V N -3.695 116.271 119.914 0.085 0.000 2.656 436 V HA 0.572 4.688 4.120 -0.007 0.000 0.307 436 V C -0.500 175.665 176.094 0.117 0.000 1.051 436 V CA -1.366 61.007 62.300 0.122 0.000 0.893 436 V CB 1.556 33.481 31.823 0.171 0.000 0.999 436 V HN 0.322 nan 8.190 nan 0.000 0.426 437 K N 3.535 124.013 120.400 0.130 0.000 2.401 437 K HA 0.444 4.759 4.320 -0.007 0.000 0.278 437 K C -0.238 176.429 176.600 0.112 0.000 1.018 437 K CA 0.020 56.380 56.287 0.122 0.000 0.981 437 K CB 0.626 33.212 32.500 0.144 0.000 0.933 437 K HN 0.736 nan 8.250 nan 0.000 0.477 438 R N 1.952 122.508 120.500 0.093 0.000 2.837 438 R HA 0.475 4.811 4.340 -0.007 0.000 0.271 438 R C -0.764 175.575 176.300 0.063 0.000 0.993 438 R CA -1.049 55.094 56.100 0.072 0.000 0.931 438 R CB 1.311 31.637 30.300 0.044 0.000 1.206 438 R HN 0.353 nan 8.270 nan 0.000 0.474 439 I N 1.976 122.578 120.570 0.054 0.000 2.339 439 I HA 0.161 4.326 4.170 -0.007 0.000 0.290 439 I C -0.208 175.895 176.117 -0.023 0.000 0.994 439 I CA -0.782 60.537 61.300 0.032 0.000 1.191 439 I CB 1.183 39.199 38.000 0.026 0.000 1.343 439 I HN 0.507 nan 8.210 nan 0.000 0.458 440 N N 7.158 125.815 118.700 -0.072 0.000 2.402 440 N HA 0.088 4.824 4.740 -0.007 0.000 0.252 440 N C 0.820 176.226 175.510 -0.173 0.000 1.118 440 N CA -0.309 52.613 53.050 -0.213 0.000 0.945 440 N CB 0.972 39.180 38.487 -0.465 0.000 1.147 440 N HN 0.373 nan 8.380 nan 0.000 0.495 441 M N 2.442 121.946 119.600 -0.159 0.000 2.296 441 M HA -0.049 4.427 4.480 -0.007 0.000 0.265 441 M C 1.894 178.053 176.300 -0.234 0.000 1.064 441 M CA 0.625 55.849 55.300 -0.127 0.000 1.109 441 M CB -1.482 31.091 32.600 -0.045 0.000 1.396 441 M HN 0.597 nan 8.290 nan 0.000 0.430 442 A N -0.450 122.221 122.820 -0.248 0.000 1.898 442 A HA -0.158 4.158 4.320 -0.007 0.000 0.216 442 A C 1.970 179.320 177.584 -0.390 0.000 1.181 442 A CA 1.371 53.227 52.037 -0.302 0.000 0.620 442 A CB -1.092 17.917 19.000 0.015 0.000 0.819 442 A HN 0.586 nan 8.150 nan 0.000 0.442 443 H N -1.474 117.374 119.070 -0.371 0.000 2.389 443 H HA -0.085 4.466 4.556 -0.007 0.000 0.299 443 H C 2.062 177.151 175.328 -0.397 0.000 1.081 443 H CA 1.065 56.844 56.048 -0.449 0.000 1.345 443 H CB 0.018 29.730 29.762 -0.084 0.000 1.393 443 H HN 0.439 nan 8.280 nan 0.000 0.520 444 L N 0.487 121.617 121.223 -0.156 0.000 2.083 444 L HA -0.144 4.192 4.340 -0.007 0.000 0.209 444 L C 2.167 178.900 176.870 -0.229 0.000 1.083 444 L CA 1.369 56.120 54.840 -0.148 0.000 0.752 444 L CB -0.630 41.375 42.059 -0.091 0.000 0.899 444 L HN 0.276 nan 8.230 nan 0.000 0.433 445 C N -0.401 118.663 119.300 -0.393 0.000 2.440 445 C HA -0.085 4.370 4.460 -0.007 0.000 0.278 445 C C 2.698 177.437 174.990 -0.419 0.000 1.295 445 C CA 0.870 59.583 59.018 -0.509 0.000 1.738 445 C CB -0.879 26.188 27.740 -1.122 0.000 1.987 445 C HN 0.604 nan 8.230 nan 0.000 0.492 446 I N 1.295 121.569 120.570 -0.492 0.000 2.252 446 I HA -0.164 4.002 4.170 -0.007 0.000 0.245 446 I C 2.748 178.709 176.117 -0.260 0.000 1.102 446 I CA 1.528 62.583 61.300 -0.409 0.000 1.385 446 I CB -0.545 37.065 38.000 -0.651 0.000 1.064 446 I HN 0.251 nan 8.210 nan 0.000 0.414 447 A N 0.614 123.248 122.820 -0.310 0.000 1.933 447 A HA -0.093 4.223 4.320 -0.007 0.000 0.218 447 A C 2.183 179.810 177.584 0.072 0.000 1.175 447 A CA 1.870 53.766 52.037 -0.235 0.000 0.628 447 A CB -1.108 17.576 19.000 -0.527 0.000 0.814 447 A HN 0.473 nan 8.150 nan 0.000 0.444 448 G N -1.123 107.663 108.800 -0.023 0.000 3.434 448 G HA2 0.428 4.383 3.960 -0.007 0.000 0.258 448 G HA3 0.428 4.383 3.960 -0.007 0.000 0.258 448 G C 0.029 174.773 174.900 -0.261 0.000 1.128 448 G CA 0.419 45.390 45.100 -0.215 0.000 0.792 448 G HN 0.325 nan 8.290 nan 0.000 0.539 449 S N -0.273 115.323 115.700 -0.173 0.000 2.536 449 S HA 0.320 4.786 4.470 -0.007 0.000 0.298 449 S C 0.723 175.261 174.600 -0.102 0.000 1.083 449 S CA -0.719 57.403 58.200 -0.129 0.000 0.995 449 S CB 1.243 64.374 63.200 -0.116 0.000 1.058 449 S HN 0.510 nan 8.310 nan 0.000 0.488 450 H N -0.032 118.995 119.070 -0.072 0.000 2.548 450 H HA 0.506 5.057 4.556 -0.007 0.000 0.265 450 H C 0.100 175.403 175.328 -0.042 0.000 0.969 450 H CA 0.239 56.267 56.048 -0.034 0.000 1.155 450 H CB 0.137 29.899 29.762 -0.000 0.000 1.394 450 H HN 0.503 nan 8.280 nan 0.000 0.570 451 A N 0.914 123.417 122.820 -0.528 0.000 2.488 451 A HA 0.549 4.865 4.320 -0.007 0.000 0.298 451 A C -1.459 175.925 177.584 -0.332 0.000 1.044 451 A CA -0.574 51.210 52.037 -0.422 0.000 0.693 451 A CB 2.148 20.863 19.000 -0.474 0.000 1.272 451 A HN 0.094 nan 8.150 nan 0.000 0.402 452 V N 4.218 123.906 119.914 -0.376 0.000 2.525 452 V HA 0.536 4.652 4.120 -0.007 0.000 0.299 452 V C -0.754 175.176 176.094 -0.274 0.000 1.034 452 V CA -0.774 61.320 62.300 -0.344 0.000 0.863 452 V CB 1.784 33.274 31.823 -0.555 0.000 0.999 452 V HN 1.011 nan 8.190 nan 0.000 0.423 453 N N 3.170 121.727 118.700 -0.238 0.000 2.240 453 N HA 0.615 5.350 4.740 -0.007 0.000 0.302 453 N C -0.240 175.183 175.510 -0.145 0.000 1.106 453 N CA -0.366 52.581 53.050 -0.173 0.000 0.778 453 N CB 2.869 41.225 38.487 -0.218 0.000 1.431 453 N HN 0.631 nan 8.380 nan 0.000 0.479 454 G N -0.776 107.973 108.800 -0.085 0.000 2.535 454 G HA2 0.421 4.377 3.960 -0.007 0.000 0.303 454 G HA3 0.421 4.377 3.960 -0.007 0.000 0.303 454 G C 0.720 175.682 174.900 0.102 0.000 1.237 454 G CA -0.525 44.571 45.100 -0.007 0.000 0.986 454 G HN 0.625 nan 8.290 nan 0.000 0.494 455 V N -3.548 116.539 119.914 0.288 0.000 3.319 455 V HA 0.696 4.812 4.120 -0.007 0.000 0.317 455 V C 0.525 176.693 176.094 0.124 0.000 1.411 455 V CA 0.260 62.637 62.300 0.127 0.000 1.112 455 V CB -0.815 31.029 31.823 0.035 0.000 1.031 455 V HN 1.349 nan 8.190 nan 0.000 0.448 456 A N -0.077 122.828 122.820 0.141 0.000 2.594 456 A HA 0.623 4.939 4.320 -0.007 0.000 0.296 456 A C 0.681 178.314 177.584 0.082 0.000 1.056 456 A CA -0.106 51.995 52.037 0.107 0.000 0.693 456 A CB 1.195 20.250 19.000 0.092 0.000 1.278 456 A HN 0.038 nan 8.150 nan 0.000 0.408 457 R N 1.026 121.554 120.500 0.046 0.000 2.112 457 R HA -0.183 4.153 4.340 -0.007 0.000 0.242 457 R C 1.711 178.012 176.300 0.000 0.000 1.137 457 R CA 2.382 58.489 56.100 0.010 0.000 0.944 457 R CB -0.263 30.038 30.300 0.001 0.000 0.857 457 R HN 0.838 nan 8.270 nan 0.000 0.435 458 I N 0.207 120.786 120.570 0.015 0.000 2.286 458 I HA -0.305 3.861 4.170 -0.007 0.000 0.248 458 I C 2.365 178.492 176.117 0.017 0.000 1.115 458 I CA 1.945 63.247 61.300 0.003 0.000 1.392 458 I CB -0.258 37.744 38.000 0.003 0.000 1.065 458 I HN 0.361 nan 8.210 nan 0.000 0.418 459 H N 0.382 119.422 119.070 -0.049 0.000 2.321 459 H HA -0.129 4.423 4.556 -0.007 0.000 0.300 459 H C 2.280 177.569 175.328 -0.065 0.000 1.087 459 H CA 2.217 58.228 56.048 -0.060 0.000 1.319 459 H CB -0.301 29.431 29.762 -0.050 0.000 1.379 459 H HN 0.259 nan 8.280 nan 0.000 0.501 460 S N 0.303 115.888 115.700 -0.191 0.000 2.382 460 S HA -0.122 4.343 4.470 -0.007 0.000 0.228 460 S C 1.905 176.381 174.600 -0.206 0.000 1.027 460 S CA 1.196 59.259 58.200 -0.228 0.000 0.991 460 S CB -0.069 63.070 63.200 -0.102 0.000 0.823 460 S HN 0.480 nan 8.310 nan 0.000 0.469 461 E N 1.162 121.267 120.200 -0.159 0.000 2.106 461 E HA 0.007 4.353 4.350 -0.007 0.000 0.192 461 E C 2.001 178.488 176.600 -0.190 0.000 0.984 461 E CA 0.628 56.927 56.400 -0.169 0.000 0.806 461 E CB -0.342 29.291 29.700 -0.111 0.000 0.750 461 E HN 0.509 nan 8.360 nan 0.000 0.458 462 I N 0.894 121.363 120.570 -0.168 0.000 2.286 462 I HA -0.260 3.906 4.170 -0.007 0.000 0.248 462 I C 2.349 178.334 176.117 -0.220 0.000 1.115 462 I CA 0.735 61.939 61.300 -0.159 0.000 1.392 462 I CB -0.211 37.726 38.000 -0.105 0.000 1.065 462 I HN 0.065 nan 8.210 nan 0.000 0.418 463 L N 0.389 121.437 121.223 -0.292 0.000 2.046 463 L HA -0.216 4.120 4.340 -0.007 0.000 0.208 463 L C 2.480 179.219 176.870 -0.219 0.000 1.077 463 L CA 1.543 56.211 54.840 -0.286 0.000 0.747 463 L CB -0.562 41.381 42.059 -0.194 0.000 0.896 463 L HN 0.184 nan 8.230 nan 0.000 0.432 464 K N -0.023 120.177 120.400 -0.333 0.000 2.155 464 K HA -0.121 4.195 4.320 -0.007 0.000 0.203 464 K C 2.044 178.442 176.600 -0.337 0.000 1.052 464 K CA 0.964 56.918 56.287 -0.555 0.000 0.948 464 K CB 0.051 31.974 32.500 -0.961 0.000 0.728 464 K HN 0.228 nan 8.250 nan 0.000 0.448 465 K N -0.024 120.236 120.400 -0.233 0.000 2.314 465 K HA -0.027 4.288 4.320 -0.007 0.000 0.198 465 K C 1.772 178.320 176.600 -0.087 0.000 1.045 465 K CA 1.299 57.505 56.287 -0.134 0.000 0.988 465 K CB 0.479 32.910 32.500 -0.115 0.000 0.783 465 K HN 0.276 nan 8.250 nan 0.000 0.484 466 T N -1.901 112.592 114.554 -0.101 0.000 3.257 466 T HA 0.117 4.463 4.350 -0.007 0.000 0.176 466 T C 1.611 176.285 174.700 -0.045 0.000 0.892 466 T CA -0.427 61.631 62.100 -0.070 0.000 1.147 466 T CB -0.660 68.158 68.868 -0.083 0.000 1.840 466 T HN -0.029 nan 8.240 nan 0.000 0.375 467 I N 0.255 120.750 120.570 -0.125 0.000 2.423 467 I HA 0.078 4.244 4.170 -0.007 0.000 0.254 467 I C 0.800 177.001 176.117 0.140 0.000 1.151 467 I CA 1.453 62.678 61.300 -0.125 0.000 1.421 467 I CB -0.057 37.702 38.000 -0.402 0.000 1.079 467 I HN 0.408 nan 8.210 nan 0.000 0.431 468 F N -0.811 119.208 119.950 0.115 0.000 2.735 468 F HA 0.164 4.687 4.527 -0.007 0.000 0.308 468 F C 1.800 177.677 175.800 0.128 0.000 1.112 468 F CA -0.548 57.589 58.000 0.229 0.000 1.235 468 F CB 0.139 39.248 39.000 0.182 0.000 1.027 468 F HN -0.139 nan 8.300 nan 0.000 0.528 469 K N 1.136 121.656 120.400 0.199 0.000 2.044 469 K HA -0.216 4.100 4.320 -0.007 0.000 0.210 469 K C 1.322 177.973 176.600 0.085 0.000 1.049 469 K CA 2.230 58.570 56.287 0.088 0.000 0.927 469 K CB -0.012 32.508 32.500 0.033 0.000 0.713 469 K HN 0.157 nan 8.250 nan 0.000 0.443 470 D N -0.074 120.344 120.400 0.031 0.000 2.123 470 D HA -0.170 4.466 4.640 -0.007 0.000 0.196 470 D C 1.853 178.053 176.300 -0.166 0.000 0.992 470 D CA 1.303 55.192 54.000 -0.185 0.000 0.833 470 D CB -0.335 40.244 40.800 -0.368 0.000 0.954 470 D HN 0.247 nan 8.370 nan 0.000 0.455 471 F N -0.028 119.990 119.950 0.114 0.000 2.186 471 F HA -0.158 4.364 4.527 -0.007 0.000 0.299 471 F C 2.378 178.329 175.800 0.253 0.000 1.090 471 F CA 0.568 58.714 58.000 0.242 0.000 1.307 471 F CB -0.728 38.471 39.000 0.332 0.000 1.019 471 F HN -0.028 nan 8.300 nan 0.000 0.489 472 Y N 1.326 121.610 120.300 -0.027 0.000 2.224 472 Y HA -0.197 4.349 4.550 -0.007 0.000 0.289 472 Y C 2.137 178.046 175.900 0.015 0.000 1.146 472 Y CA 1.597 59.522 58.100 -0.292 0.000 1.182 472 Y CB -0.634 37.460 38.460 -0.610 0.000 0.983 472 Y HN 0.142 nan 8.280 nan 0.000 0.524 473 E N -0.490 119.678 120.200 -0.053 0.000 2.150 473 E HA -0.189 4.156 4.350 -0.007 0.000 0.193 473 E C 1.975 178.640 176.600 0.108 0.000 0.985 473 E CA 1.177 57.553 56.400 -0.041 0.000 0.814 473 E CB -0.233 29.483 29.700 0.026 0.000 0.752 473 E HN 0.442 nan 8.360 nan 0.000 0.466 474 L N 0.842 122.172 121.223 0.178 0.000 2.095 474 L HA -0.019 4.317 4.340 -0.007 0.000 0.204 474 L C 0.207 177.178 176.870 0.168 0.000 1.080 474 L CA 1.594 56.569 54.840 0.224 0.000 0.759 474 L CB 0.438 42.632 42.059 0.224 0.000 0.914 474 L HN -0.124 nan 8.230 nan 0.000 0.439 475 E N 0.193 120.501 120.200 0.180 0.000 3.132 475 E HA 0.187 4.533 4.350 -0.007 0.000 0.241 475 E C -2.006 174.600 176.600 0.010 0.000 1.196 475 E CA -1.260 55.185 56.400 0.075 0.000 0.869 475 E CB 0.835 30.554 29.700 0.032 0.000 1.387 475 E HN 0.200 nan 8.360 nan 0.000 0.393 476 P HA -0.243 nan 4.420 nan 0.000 0.218 476 P C 1.178 178.599 177.300 0.201 0.000 1.148 476 P CA 1.382 64.438 63.100 -0.074 0.000 0.822 476 P CB -0.000 31.516 31.700 -0.306 0.000 0.784 477 H N 0.336 119.508 119.070 0.170 0.000 2.489 477 H HA 0.054 4.606 4.556 -0.007 0.000 0.293 477 H C 1.466 176.876 175.328 0.136 0.000 1.066 477 H CA 0.832 56.967 56.048 0.145 0.000 1.305 477 H CB -0.781 29.038 29.762 0.095 0.000 1.386 477 H HN 0.172 nan 8.280 nan 0.000 0.551 478 K N 0.303 120.547 120.400 -0.261 0.000 2.217 478 K HA 0.033 4.349 4.320 -0.007 0.000 0.202 478 K C -0.091 176.314 176.600 -0.325 0.000 1.051 478 K CA 0.262 56.372 56.287 -0.294 0.000 0.952 478 K CB 0.062 32.269 32.500 -0.489 0.000 0.736 478 K HN 0.103 nan 8.250 nan 0.000 0.453 479 F N 1.927 121.908 119.950 0.052 0.000 2.438 479 F HA 0.147 4.670 4.527 -0.007 0.000 0.356 479 F C 0.548 176.356 175.800 0.013 0.000 1.099 479 F CA -0.044 57.990 58.000 0.058 0.000 1.185 479 F CB 0.778 39.867 39.000 0.148 0.000 1.115 479 F HN -0.080 nan 8.300 nan 0.000 0.526 480 Q N 1.726 121.554 119.800 0.046 0.000 2.605 480 Q HA 0.375 4.711 4.340 -0.007 0.000 0.296 480 Q C -1.184 174.779 176.000 -0.062 0.000 1.056 480 Q CA -1.287 54.501 55.803 -0.025 0.000 0.778 480 Q CB 3.067 31.737 28.738 -0.113 0.000 1.497 480 Q HN 0.636 nan 8.270 nan 0.000 0.443 481 N N 0.541 119.185 118.700 -0.095 0.000 2.238 481 N HA 0.298 5.034 4.740 -0.007 0.000 0.302 481 N C -1.534 173.879 175.510 -0.161 0.000 1.072 481 N CA -0.406 52.586 53.050 -0.097 0.000 0.792 481 N CB 1.156 39.608 38.487 -0.058 0.000 1.425 481 N HN 0.287 nan 8.380 nan 0.000 0.478 482 K N 2.689 122.998 120.400 -0.152 0.000 2.803 482 K HA 0.173 4.489 4.320 -0.007 0.000 0.229 482 K C -1.015 175.589 176.600 0.007 0.000 1.084 482 K CA -0.464 55.705 56.287 -0.197 0.000 1.063 482 K CB 1.142 33.302 32.500 -0.567 0.000 1.254 482 K HN 0.561 nan 8.250 nan 0.000 0.551 483 T N 1.945 116.521 114.554 0.037 0.000 2.908 483 T HA 0.039 4.384 4.350 -0.007 0.000 0.301 483 T C 0.817 175.640 174.700 0.205 0.000 1.019 483 T CA 0.423 62.595 62.100 0.120 0.000 1.152 483 T CB 0.285 69.224 68.868 0.117 0.000 0.966 483 T HN 0.344 nan 8.240 nan 0.000 0.540 484 N N 0.595 119.437 118.700 0.237 0.000 2.267 484 N HA 0.400 5.136 4.740 -0.007 0.000 0.226 484 N C 0.463 176.159 175.510 0.310 0.000 1.314 484 N CA -0.126 53.097 53.050 0.290 0.000 0.887 484 N CB 0.376 38.976 38.487 0.189 0.000 1.120 484 N HN 0.771 nan 8.380 nan 0.000 0.440 485 G N -0.622 108.371 108.800 0.322 0.000 2.649 485 G HA2 0.568 4.524 3.960 -0.007 0.000 0.290 485 G HA3 0.568 4.524 3.960 -0.007 0.000 0.290 485 G C -1.413 173.631 174.900 0.241 0.000 1.426 485 G CA -0.739 44.538 45.100 0.295 0.000 0.794 485 G HN 0.598 nan 8.290 nan 0.000 0.483 486 I N -2.222 118.473 120.570 0.208 0.000 2.892 486 I HA 0.775 4.941 4.170 -0.007 0.000 0.306 486 I C -0.237 176.044 176.117 0.274 0.000 1.078 486 I CA -0.945 60.476 61.300 0.201 0.000 1.032 486 I CB 2.479 40.496 38.000 0.028 0.000 1.229 486 I HN 0.507 nan 8.210 nan 0.000 0.435 487 T N 4.261 119.029 114.554 0.356 0.000 2.761 487 T HA 0.355 4.701 4.350 -0.007 0.000 0.296 487 T C -1.356 173.460 174.700 0.194 0.000 0.934 487 T CA -1.663 60.568 62.100 0.218 0.000 1.091 487 T CB 0.754 69.697 68.868 0.126 0.000 0.896 487 T HN 0.641 nan 8.240 nan 0.000 0.515 488 P HA 0.019 nan 4.420 nan 0.000 0.234 488 P C 1.055 178.324 177.300 -0.052 0.000 1.167 488 P CA 0.333 63.471 63.100 0.065 0.000 0.763 488 P CB 0.369 32.095 31.700 0.042 0.000 0.835 489 R N 0.448 120.872 120.500 -0.126 0.000 2.056 489 R HA 0.015 4.350 4.340 -0.007 0.000 0.227 489 R C 2.712 178.893 176.300 -0.199 0.000 1.149 489 R CA 1.519 57.504 56.100 -0.193 0.000 0.937 489 R CB -1.174 29.020 30.300 -0.177 0.000 0.835 489 R HN 0.058 nan 8.270 nan 0.000 0.430 490 R N -0.841 119.480 120.500 -0.298 0.000 2.073 490 R HA -0.100 4.236 4.340 -0.007 0.000 0.229 490 R C 1.039 176.959 176.300 -0.635 0.000 1.120 490 R CA 1.468 57.235 56.100 -0.556 0.000 0.967 490 R CB -0.155 29.634 30.300 -0.852 0.000 0.862 490 R HN 0.279 nan 8.270 nan 0.000 0.436 491 W N -0.001 121.259 121.300 -0.066 0.000 3.405 491 W HA 0.135 4.790 4.660 -0.008 0.000 0.300 491 W C 0.939 177.431 176.519 -0.045 0.000 1.286 491 W CA -0.629 56.676 57.345 -0.067 0.000 1.762 491 W CB 0.374 29.798 29.460 -0.060 0.000 1.087 491 W HN 0.235 nan 8.180 nan 0.000 0.703 492 L N -2.422 118.848 121.223 0.078 0.000 2.604 492 L HA 0.168 4.504 4.340 -0.007 0.000 0.150 492 L C 1.757 178.644 176.870 0.028 0.000 1.292 492 L CA 0.727 55.616 54.840 0.081 0.000 0.977 492 L CB -0.871 41.264 42.059 0.127 0.000 1.943 492 L HN -0.260 nan 8.230 nan 0.000 0.508 493 V N 1.309 121.219 119.914 -0.007 0.000 2.287 493 V HA -0.285 3.830 4.120 -0.007 0.000 0.248 493 V C 2.460 178.529 176.094 -0.042 0.000 1.053 493 V CA 2.550 64.837 62.300 -0.021 0.000 1.027 493 V CB -0.723 31.059 31.823 -0.067 0.000 0.646 493 V HN 0.523 nan 8.190 nan 0.000 0.447 494 L N 0.486 121.653 121.223 -0.093 0.000 2.005 494 L HA -0.187 4.149 4.340 -0.007 0.000 0.207 494 L C 2.487 179.294 176.870 -0.105 0.000 1.072 494 L CA 2.414 57.184 54.840 -0.117 0.000 0.744 494 L CB -0.268 41.672 42.059 -0.199 0.000 0.895 494 L HN 0.664 nan 8.230 nan 0.000 0.433 495 C N -1.758 117.472 119.300 -0.116 0.000 2.563 495 C HA 0.199 4.654 4.460 -0.007 0.000 0.268 495 C C 1.182 176.157 174.990 -0.025 0.000 1.365 495 C CA -0.318 58.652 59.018 -0.080 0.000 1.754 495 C CB -1.028 26.663 27.740 -0.081 0.000 1.932 495 C HN 0.588 nan 8.230 nan 0.000 0.536 496 N N 1.155 119.851 118.700 -0.006 0.000 2.733 496 N HA 0.275 5.011 4.740 -0.007 0.000 0.271 496 N C -1.745 173.778 175.510 0.023 0.000 1.720 496 N CA -1.548 51.510 53.050 0.014 0.000 0.803 496 N CB 0.797 39.302 38.487 0.030 0.000 1.208 496 N HN 0.244 nan 8.380 nan 0.000 0.498 497 P HA -0.063 nan 4.420 nan 0.000 0.216 497 P C 1.403 178.721 177.300 0.030 0.000 1.150 497 P CA 0.981 64.094 63.100 0.022 0.000 0.837 497 P CB 0.236 31.942 31.700 0.010 0.000 0.786 498 G N 0.601 109.413 108.800 0.021 0.000 2.440 498 G HA2 -0.250 3.705 3.960 -0.007 0.000 0.218 498 G HA3 -0.250 3.705 3.960 -0.007 0.000 0.218 498 G C 1.539 176.450 174.900 0.019 0.000 1.154 498 G CA 0.729 45.838 45.100 0.016 0.000 0.767 498 G HN 0.260 nan 8.290 nan 0.000 0.552 499 L N 1.170 122.407 121.223 0.023 0.000 2.109 499 L HA 0.315 4.651 4.340 -0.007 0.000 0.207 499 L C 3.010 179.915 176.870 0.057 0.000 1.086 499 L CA 1.937 56.791 54.840 0.023 0.000 0.760 499 L CB -0.699 41.373 42.059 0.023 0.000 0.910 499 L HN 0.214 nan 8.230 nan 0.000 0.437 500 A N -0.802 122.073 122.820 0.091 0.000 1.933 500 A HA -0.225 4.091 4.320 -0.007 0.000 0.218 500 A C 2.226 179.910 177.584 0.167 0.000 1.175 500 A CA 1.713 53.856 52.037 0.176 0.000 0.628 500 A CB -0.601 18.499 19.000 0.167 0.000 0.814 500 A HN 0.525 nan 8.150 nan 0.000 0.444 501 E N 0.709 120.968 120.200 0.099 0.000 2.028 501 E HA -0.152 4.194 4.350 -0.007 0.000 0.191 501 E C 1.870 178.511 176.600 0.069 0.000 0.988 501 E CA 1.561 58.008 56.400 0.079 0.000 0.799 501 E CB -0.508 29.220 29.700 0.047 0.000 0.755 501 E HN 0.732 nan 8.360 nan 0.000 0.447 502 I N -1.714 118.893 120.570 0.061 0.000 2.454 502 I HA -0.144 4.022 4.170 -0.007 0.000 0.254 502 I C 2.119 178.307 176.117 0.118 0.000 1.156 502 I CA 1.100 62.451 61.300 0.084 0.000 1.433 502 I CB -0.332 37.709 38.000 0.069 0.000 1.082 502 I HN 0.018 nan 8.210 nan 0.000 0.432 503 I N 1.922 122.538 120.570 0.076 0.000 2.233 503 I HA -0.163 4.003 4.170 -0.007 0.000 0.243 503 I C 3.022 179.090 176.117 -0.083 0.000 1.093 503 I CA 1.260 62.529 61.300 -0.051 0.000 1.380 503 I CB -0.469 37.383 38.000 -0.246 0.000 1.067 503 I HN 0.285 nan 8.210 nan 0.000 0.413 504 A N 0.390 123.254 122.820 0.073 0.000 1.978 504 A HA -0.238 4.078 4.320 -0.007 0.000 0.220 504 A C 2.147 179.762 177.584 0.052 0.000 1.170 504 A CA 1.646 53.780 52.037 0.162 0.000 0.636 504 A CB -0.615 18.514 19.000 0.215 0.000 0.810 504 A HN 0.446 nan 8.150 nan 0.000 0.448 505 E N -0.727 119.482 120.200 0.015 0.000 2.160 505 E HA -0.201 4.145 4.350 -0.007 0.000 0.195 505 E C 2.205 178.764 176.600 -0.068 0.000 0.991 505 E CA 1.185 57.577 56.400 -0.013 0.000 0.810 505 E CB -0.025 29.671 29.700 -0.007 0.000 0.742 505 E HN 0.532 nan 8.360 nan 0.000 0.466 506 R N 0.059 120.461 120.500 -0.164 0.000 2.123 506 R HA 0.096 4.432 4.340 -0.007 0.000 0.209 506 R C 2.263 178.496 176.300 -0.112 0.000 1.078 506 R CA 0.755 56.694 56.100 -0.269 0.000 1.028 506 R CB -0.209 29.607 30.300 -0.807 0.000 0.939 506 R HN 0.298 nan 8.270 nan 0.000 0.463 507 I N -2.531 117.987 120.570 -0.087 0.000 4.081 507 I HA 0.440 4.606 4.170 -0.007 0.000 0.333 507 I C 0.345 176.509 176.117 0.078 0.000 1.413 507 I CA 0.021 61.325 61.300 0.006 0.000 1.110 507 I CB 0.734 38.726 38.000 -0.013 0.000 1.082 507 I HN 0.175 nan 8.210 nan 0.000 0.402 508 G N 2.205 111.058 108.800 0.089 0.000 2.698 508 G HA2 -0.216 3.740 3.960 -0.007 0.000 0.225 508 G HA3 -0.216 3.740 3.960 -0.007 0.000 0.225 508 G C -0.068 174.965 174.900 0.222 0.000 1.345 508 G CA 0.139 45.311 45.100 0.121 0.000 0.871 508 G HN 0.478 nan 8.290 nan 0.000 0.540 509 E N -0.359 119.920 120.200 0.132 0.000 2.476 509 E HA 0.077 4.422 4.350 -0.007 0.000 0.199 509 E C 1.834 178.380 176.600 -0.090 0.000 1.021 509 E CA -0.013 56.405 56.400 0.030 0.000 0.907 509 E CB 0.305 30.014 29.700 0.014 0.000 0.974 509 E HN 0.459 nan 8.360 nan 0.000 0.489 510 E N 0.746 120.966 120.200 0.034 0.000 2.209 510 E HA -0.201 4.145 4.350 -0.007 0.000 0.196 510 E C 1.761 178.352 176.600 -0.016 0.000 0.993 510 E CA 1.055 57.467 56.400 0.020 0.000 0.819 510 E CB -0.080 29.658 29.700 0.063 0.000 0.745 510 E HN 0.540 nan 8.360 nan 0.000 0.477 511 Y N -0.996 119.309 120.300 0.008 0.000 2.403 511 Y HA -0.037 4.510 4.550 -0.006 0.000 0.291 511 Y C 2.010 177.888 175.900 -0.036 0.000 1.143 511 Y CA 0.572 58.669 58.100 -0.005 0.000 1.257 511 Y CB -0.818 37.644 38.460 0.003 0.000 0.984 511 Y HN -0.085 nan 8.280 nan 0.000 0.550 512 I N 0.939 120.990 120.570 -0.866 0.000 2.423 512 I HA -0.241 3.925 4.170 -0.007 0.000 0.254 512 I C 1.656 177.506 176.117 -0.444 0.000 1.151 512 I CA 1.852 62.715 61.300 -0.729 0.000 1.421 512 I CB -0.364 37.133 38.000 -0.839 0.000 1.079 512 I HN 0.498 nan 8.210 nan 0.000 0.431 513 S N -2.123 113.421 115.700 -0.260 0.000 2.749 513 S HA 0.179 4.645 4.470 -0.007 0.000 0.246 513 S C 0.122 174.698 174.600 -0.039 0.000 1.023 513 S CA -0.498 57.627 58.200 -0.124 0.000 1.012 513 S CB 0.362 63.558 63.200 -0.006 0.000 0.942 513 S HN 0.296 nan 8.310 nan 0.000 0.531 514 D N 0.630 121.016 120.400 -0.024 0.000 3.118 514 D HA 0.198 4.834 4.640 -0.007 0.000 0.259 514 D C 0.400 176.741 176.300 0.068 0.000 1.292 514 D CA -0.367 53.646 54.000 0.023 0.000 0.784 514 D CB 0.233 41.052 40.800 0.031 0.000 1.413 514 D HN 0.102 nan 8.370 nan 0.000 0.583 515 L N 1.071 122.337 121.223 0.071 0.000 2.263 515 L HA -0.067 4.269 4.340 -0.007 0.000 0.216 515 L C 1.446 178.371 176.870 0.091 0.000 1.111 515 L CA 1.643 56.556 54.840 0.122 0.000 0.773 515 L CB -0.071 42.051 42.059 0.105 0.000 0.906 515 L HN 0.282 nan 8.230 nan 0.000 0.439 516 D N -0.930 119.499 120.400 0.049 0.000 2.263 516 D HA -0.201 4.435 4.640 -0.007 0.000 0.208 516 D C 1.918 178.241 176.300 0.038 0.000 0.971 516 D CA 0.760 54.774 54.000 0.024 0.000 0.867 516 D CB 0.056 40.856 40.800 0.001 0.000 0.929 516 D HN 0.563 nan 8.370 nan 0.000 0.492 517 Q N 0.022 119.863 119.800 0.069 0.000 2.364 517 Q HA -0.037 4.298 4.340 -0.007 0.000 0.209 517 Q C 2.221 178.246 176.000 0.041 0.000 0.977 517 Q CA 0.239 56.083 55.803 0.069 0.000 0.885 517 Q CB 0.028 28.836 28.738 0.117 0.000 0.941 517 Q HN 0.379 nan 8.270 nan 0.000 0.464 518 L N 0.069 121.311 121.223 0.032 0.000 2.353 518 L HA -0.176 4.160 4.340 -0.007 0.000 0.220 518 L C 2.190 179.060 176.870 0.000 0.000 1.133 518 L CA 0.802 55.627 54.840 -0.025 0.000 0.798 518 L CB -0.311 41.744 42.059 -0.007 0.000 0.922 518 L HN 0.186 nan 8.230 nan 0.000 0.445 519 R N 0.271 120.779 120.500 0.013 0.000 2.193 519 R HA -0.142 4.193 4.340 -0.007 0.000 0.229 519 R C 2.030 178.334 176.300 0.006 0.000 1.110 519 R CA 0.891 56.998 56.100 0.011 0.000 0.988 519 R CB -0.101 30.201 30.300 0.004 0.000 0.871 519 R HN 0.377 nan 8.270 nan 0.000 0.458 520 K N 0.529 120.934 120.400 0.007 0.000 2.360 520 K HA -0.080 4.236 4.320 -0.007 0.000 0.201 520 K C 1.725 178.352 176.600 0.044 0.000 1.046 520 K CA 0.741 57.034 56.287 0.011 0.000 0.945 520 K CB 0.002 32.519 32.500 0.027 0.000 0.750 520 K HN 0.217 nan 8.250 nan 0.000 0.464 521 L N 0.516 121.767 121.223 0.046 0.000 2.465 521 L HA -0.125 4.211 4.340 -0.007 0.000 0.224 521 L C 1.820 178.750 176.870 0.100 0.000 1.145 521 L CA 0.051 54.943 54.840 0.087 0.000 0.834 521 L CB -0.208 41.868 42.059 0.028 0.000 0.944 521 L HN 0.127 nan 8.230 nan 0.000 0.451 522 L N 0.022 121.268 121.223 0.038 0.000 2.191 522 L HA -0.165 4.170 4.340 -0.007 0.000 0.212 522 L C 2.605 179.452 176.870 -0.039 0.000 1.103 522 L CA 1.795 56.644 54.840 0.016 0.000 0.769 522 L CB -0.718 41.340 42.059 -0.003 0.000 0.908 522 L HN 0.332 nan 8.230 nan 0.000 0.438 523 S N -2.900 112.714 115.700 -0.142 0.000 2.650 523 S HA -0.028 4.438 4.470 -0.007 0.000 0.219 523 S C 1.092 175.415 174.600 -0.462 0.000 0.960 523 S CA 0.087 58.107 58.200 -0.300 0.000 0.925 523 S CB -0.465 62.496 63.200 -0.398 0.000 0.775 523 S HN 0.429 nan 8.310 nan 0.000 0.525 524 Y N -0.449 119.793 120.300 -0.097 0.000 2.500 524 Y HA 0.424 4.973 4.550 -0.003 0.000 0.246 524 Y C 1.885 177.827 175.900 0.070 0.000 1.146 524 Y CA -0.730 57.311 58.100 -0.099 0.000 1.230 524 Y CB 0.149 38.355 38.460 -0.423 0.000 1.214 524 Y HN 0.264 nan 8.280 nan 0.000 0.526 525 V N 0.406 120.418 119.914 0.162 0.000 2.720 525 V HA -0.219 3.897 4.120 -0.007 0.000 0.256 525 V C 0.908 177.076 176.094 0.124 0.000 1.082 525 V CA 2.284 64.678 62.300 0.157 0.000 1.101 525 V CB -0.007 31.867 31.823 0.085 0.000 0.693 525 V HN 0.321 nan 8.190 nan 0.000 0.479 526 D N -0.803 119.653 120.400 0.092 0.000 2.398 526 D HA 0.124 4.759 4.640 -0.007 0.000 0.210 526 D C 0.338 176.693 176.300 0.092 0.000 1.094 526 D CA -0.011 54.031 54.000 0.070 0.000 0.839 526 D CB 0.093 40.911 40.800 0.030 0.000 0.963 526 D HN 0.431 nan 8.370 nan 0.000 0.506 527 D N 1.426 121.919 120.400 0.154 0.000 2.338 527 D HA -0.030 4.606 4.640 -0.007 0.000 0.255 527 D C 1.248 177.656 176.300 0.179 0.000 1.237 527 D CA 0.008 54.119 54.000 0.186 0.000 0.883 527 D CB 1.443 42.429 40.800 0.311 0.000 1.087 527 D HN -0.211 nan 8.370 nan 0.000 0.485 528 E N 3.404 123.673 120.200 0.116 0.000 2.160 528 E HA -0.161 4.185 4.350 -0.007 0.000 0.195 528 E C 1.673 178.327 176.600 0.089 0.000 0.991 528 E CA 1.486 57.938 56.400 0.085 0.000 0.810 528 E CB -0.058 29.676 29.700 0.056 0.000 0.742 528 E HN 0.577 nan 8.360 nan 0.000 0.466 529 A N -0.352 122.535 122.820 0.113 0.000 1.873 529 A HA -0.123 4.192 4.320 -0.007 0.000 0.215 529 A C 2.256 179.921 177.584 0.136 0.000 1.186 529 A CA 1.294 53.393 52.037 0.103 0.000 0.616 529 A CB -0.979 18.082 19.000 0.103 0.000 0.823 529 A HN 0.437 nan 8.150 nan 0.000 0.442 530 F N 0.475 120.431 119.950 0.010 0.000 2.102 530 F HA -0.165 4.358 4.527 -0.006 0.000 0.298 530 F C 2.109 177.910 175.800 0.002 0.000 1.105 530 F CA 1.657 59.646 58.000 -0.018 0.000 1.239 530 F CB -0.124 38.869 39.000 -0.011 0.000 0.991 530 F HN 0.158 nan 8.300 nan 0.000 0.474 531 I N 0.234 120.832 120.570 0.046 0.000 2.145 531 I HA -0.393 3.773 4.170 -0.007 0.000 0.244 531 I C 2.577 178.636 176.117 -0.097 0.000 1.075 531 I CA 1.820 63.091 61.300 -0.048 0.000 1.332 531 I CB -0.541 37.480 38.000 0.035 0.000 1.033 531 I HN 0.145 nan 8.210 nan 0.000 0.410 532 R N 0.827 121.297 120.500 -0.050 0.000 2.092 532 R HA -0.176 4.160 4.340 -0.007 0.000 0.231 532 R C 1.872 178.119 176.300 -0.088 0.000 1.119 532 R CA 1.769 57.838 56.100 -0.052 0.000 0.970 532 R CB -0.090 30.200 30.300 -0.017 0.000 0.864 532 R HN 0.313 nan 8.270 nan 0.000 0.440 533 D N -0.279 120.048 120.400 -0.121 0.000 2.117 533 D HA -0.113 4.522 4.640 -0.007 0.000 0.198 533 D C 1.946 178.118 176.300 -0.213 0.000 0.982 533 D CA 1.176 55.093 54.000 -0.139 0.000 0.828 533 D CB -0.158 40.578 40.800 -0.107 0.000 0.967 533 D HN 0.086 nan 8.370 nan 0.000 0.464 534 V N 1.636 121.322 119.914 -0.380 0.000 2.332 534 V HA -0.250 3.865 4.120 -0.007 0.000 0.248 534 V C 2.538 178.532 176.094 -0.166 0.000 1.055 534 V CA 1.929 64.016 62.300 -0.355 0.000 1.038 534 V CB -0.793 30.738 31.823 -0.486 0.000 0.651 534 V HN 0.185 nan 8.190 nan 0.000 0.450 535 A N -0.508 122.235 122.820 -0.128 0.000 1.969 535 A HA -0.216 4.100 4.320 -0.007 0.000 0.218 535 A C 2.345 179.889 177.584 -0.066 0.000 1.169 535 A CA 1.924 53.920 52.037 -0.068 0.000 0.635 535 A CB -0.417 18.547 19.000 -0.058 0.000 0.810 535 A HN 0.544 nan 8.150 nan 0.000 0.445 536 K N -0.189 120.167 120.400 -0.073 0.000 2.057 536 K HA -0.060 4.256 4.320 -0.007 0.000 0.206 536 K C 1.758 178.330 176.600 -0.046 0.000 1.050 536 K CA 1.457 57.711 56.287 -0.054 0.000 0.935 536 K CB -0.217 32.254 32.500 -0.049 0.000 0.715 536 K HN 0.205 nan 8.250 nan 0.000 0.439 537 V N 1.785 121.666 119.914 -0.054 0.000 2.343 537 V HA -0.234 3.882 4.120 -0.007 0.000 0.247 537 V C 2.378 178.458 176.094 -0.024 0.000 1.051 537 V CA 1.981 64.260 62.300 -0.036 0.000 1.036 537 V CB -0.449 31.347 31.823 -0.045 0.000 0.654 537 V HN 0.355 nan 8.190 nan 0.000 0.451 538 K N 0.482 120.865 120.400 -0.029 0.000 2.057 538 K HA -0.222 4.094 4.320 -0.007 0.000 0.207 538 K C 2.162 178.736 176.600 -0.043 0.000 1.049 538 K CA 1.759 58.036 56.287 -0.018 0.000 0.931 538 K CB -0.505 31.997 32.500 0.003 0.000 0.714 538 K HN 0.366 nan 8.250 nan 0.000 0.440 539 Q N 1.050 120.817 119.800 -0.054 0.000 2.084 539 Q HA -0.118 4.218 4.340 -0.007 0.000 0.202 539 Q C 1.642 177.622 176.000 -0.034 0.000 0.978 539 Q CA 1.995 57.758 55.803 -0.067 0.000 0.844 539 Q CB -0.086 28.616 28.738 -0.060 0.000 0.898 539 Q HN 0.524 nan 8.270 nan 0.000 0.426 540 E N -0.597 119.595 120.200 -0.014 0.000 2.106 540 E HA -0.138 4.208 4.350 -0.007 0.000 0.192 540 E C 1.685 178.308 176.600 0.038 0.000 0.984 540 E CA 0.881 57.288 56.400 0.011 0.000 0.806 540 E CB -0.035 29.669 29.700 0.008 0.000 0.750 540 E HN 0.407 nan 8.360 nan 0.000 0.458 541 N N 1.035 119.755 118.700 0.033 0.000 2.188 541 N HA -0.114 4.621 4.740 -0.007 0.000 0.184 541 N C 1.502 177.091 175.510 0.131 0.000 1.018 541 N CA 0.990 54.081 53.050 0.069 0.000 0.858 541 N CB -0.055 38.458 38.487 0.043 0.000 0.989 541 N HN 0.135 nan 8.380 nan 0.000 0.426 542 K N 0.706 121.145 120.400 0.066 0.000 2.057 542 K HA 0.015 4.331 4.320 -0.007 0.000 0.206 542 K C 2.122 178.854 176.600 0.219 0.000 1.050 542 K CA 0.710 57.054 56.287 0.096 0.000 0.935 542 K CB -0.196 32.098 32.500 -0.344 0.000 0.715 542 K HN 0.096 nan 8.250 nan 0.000 0.439 543 L N 1.172 122.464 121.223 0.114 0.000 2.046 543 L HA -0.192 4.144 4.340 -0.007 0.000 0.208 543 L C 2.649 179.612 176.870 0.155 0.000 1.077 543 L CA 1.075 55.988 54.840 0.123 0.000 0.747 543 L CB -0.383 41.716 42.059 0.067 0.000 0.896 543 L HN 0.131 nan 8.230 nan 0.000 0.432 544 K N 0.068 120.563 120.400 0.159 0.000 2.026 544 K HA -0.217 4.098 4.320 -0.007 0.000 0.208 544 K C 2.170 178.915 176.600 0.241 0.000 1.048 544 K CA 1.747 58.134 56.287 0.167 0.000 0.929 544 K CB -0.386 32.200 32.500 0.143 0.000 0.713 544 K HN 0.129 nan 8.250 nan 0.000 0.439 545 F N 1.260 121.303 119.950 0.155 0.000 2.146 545 F HA -0.074 4.449 4.527 -0.007 0.000 0.298 545 F C 2.078 178.025 175.800 0.244 0.000 1.096 545 F CA 1.266 59.377 58.000 0.185 0.000 1.275 545 F CB -0.461 38.652 39.000 0.188 0.000 1.008 545 F HN 0.061 nan 8.300 nan 0.000 0.480 546 A N 0.253 123.228 122.820 0.258 0.000 1.940 546 A HA -0.082 4.234 4.320 -0.007 0.000 0.219 546 A C 2.404 180.010 177.584 0.037 0.000 1.176 546 A CA 1.805 53.930 52.037 0.146 0.000 0.631 546 A CB -1.469 17.689 19.000 0.263 0.000 0.814 546 A HN 0.469 nan 8.150 nan 0.000 0.446 547 A N -1.355 121.508 122.820 0.071 0.000 1.873 547 A HA -0.075 4.241 4.320 -0.007 0.000 0.215 547 A C 2.133 179.722 177.584 0.008 0.000 1.186 547 A CA 1.550 53.610 52.037 0.039 0.000 0.616 547 A CB -0.910 18.130 19.000 0.066 0.000 0.823 547 A HN 0.778 nan 8.150 nan 0.000 0.442 548 Y N -0.048 120.187 120.300 -0.110 0.000 2.256 548 Y HA -0.183 4.363 4.550 -0.007 0.000 0.288 548 Y C 1.828 177.615 175.900 -0.188 0.000 1.155 548 Y CA 1.732 59.749 58.100 -0.138 0.000 1.203 548 Y CB -0.268 38.114 38.460 -0.131 0.000 0.980 548 Y HN 0.196 nan 8.280 nan 0.000 0.530 549 L N 0.618 121.742 121.223 -0.165 0.000 2.201 549 L HA -0.120 4.216 4.340 -0.007 0.000 0.212 549 L C 2.442 179.235 176.870 -0.128 0.000 1.105 549 L CA 1.989 56.723 54.840 -0.176 0.000 0.775 549 L CB -0.746 41.176 42.059 -0.229 0.000 0.913 549 L HN 0.431 nan 8.230 nan 0.000 0.440 550 E N -1.025 119.098 120.200 -0.128 0.000 2.060 550 E HA -0.163 4.183 4.350 -0.007 0.000 0.189 550 E C 2.384 178.901 176.600 -0.137 0.000 0.974 550 E CA 0.206 56.538 56.400 -0.112 0.000 0.808 550 E CB -0.045 29.597 29.700 -0.096 0.000 0.768 550 E HN 0.245 nan 8.360 nan 0.000 0.453 551 R N 0.402 120.804 120.500 -0.164 0.000 2.091 551 R HA -0.082 4.254 4.340 -0.007 0.000 0.238 551 R C -0.139 176.004 176.300 -0.263 0.000 1.136 551 R CA 1.061 57.053 56.100 -0.180 0.000 0.959 551 R CB 0.156 30.358 30.300 -0.163 0.000 0.856 551 R HN 0.119 nan 8.270 nan 0.000 0.437 552 E N -0.430 119.524 120.200 -0.410 0.000 2.155 552 E HA 0.131 4.477 4.350 -0.007 0.000 0.264 552 E C -0.777 175.602 176.600 -0.367 0.000 0.886 552 E CA -0.811 55.259 56.400 -0.550 0.000 0.752 552 E CB 1.113 30.292 29.700 -0.868 0.000 1.133 552 E HN 0.179 nan 8.360 nan 0.000 0.414 553 Y N 0.178 120.388 120.300 -0.149 0.000 4.716 553 Y HA -0.258 4.287 4.550 -0.007 0.000 0.300 553 Y C 0.050 175.907 175.900 -0.071 0.000 0.946 553 Y CA 0.445 58.494 58.100 -0.085 0.000 1.632 553 Y CB -1.437 36.979 38.460 -0.073 0.000 0.943 553 Y HN 0.498 nan 8.280 nan 0.000 0.420 554 K N -0.231 120.181 120.400 0.019 0.000 5.230 554 K HA -0.083 4.232 4.320 -0.007 0.000 0.331 554 K C 0.043 176.646 176.600 0.004 0.000 0.863 554 K CA 0.984 57.261 56.287 -0.016 0.000 1.030 554 K CB -1.501 30.991 32.500 -0.014 0.000 1.845 554 K HN 0.291 nan 8.250 nan 0.000 0.404 555 V N 0.758 120.662 119.914 -0.018 0.000 3.485 555 V HA 0.391 4.507 4.120 -0.007 0.000 0.293 555 V C 1.067 177.157 176.094 -0.006 0.000 1.253 555 V CA -0.658 61.646 62.300 0.006 0.000 0.991 555 V CB 1.507 33.332 31.823 0.003 0.000 1.252 555 V HN 0.692 nan 8.190 nan 0.000 0.473 556 H N 0.478 119.535 119.070 -0.022 0.000 3.043 556 H HA 0.368 4.919 4.556 -0.007 0.000 0.244 556 H C 0.035 175.358 175.328 -0.008 0.000 1.199 556 H CA -0.422 55.617 56.048 -0.014 0.000 0.956 556 H CB 0.323 30.072 29.762 -0.022 0.000 2.305 556 H HN 0.575 nan 8.280 nan 0.000 0.665 557 I N -0.503 120.140 120.570 0.122 0.000 2.948 557 I HA 0.059 4.225 4.170 -0.007 0.000 0.290 557 I C 0.444 176.660 176.117 0.164 0.000 1.226 557 I CA -0.031 61.325 61.300 0.094 0.000 1.413 557 I CB 0.550 38.557 38.000 0.011 0.000 1.352 557 I HN 0.077 nan 8.210 nan 0.000 0.597 558 N N 5.222 124.024 118.700 0.170 0.000 2.469 558 N HA 0.409 5.144 4.740 -0.007 0.000 0.253 558 N C -2.046 173.620 175.510 0.261 0.000 0.970 558 N CA -2.358 50.798 53.050 0.177 0.000 0.940 558 N CB 1.556 40.108 38.487 0.109 0.000 1.128 558 N HN 0.324 nan 8.380 nan 0.000 0.503 559 P HA -0.087 nan 4.420 nan 0.000 0.220 559 P C 0.021 177.317 177.300 -0.006 0.000 1.144 559 P CA 1.281 64.459 63.100 0.131 0.000 0.800 559 P CB 0.114 31.868 31.700 0.090 0.000 0.772 560 N N -1.263 117.466 118.700 0.048 0.000 2.463 560 N HA -0.005 4.731 4.740 -0.007 0.000 0.181 560 N C 0.535 176.081 175.510 0.059 0.000 1.078 560 N CA -0.094 52.973 53.050 0.028 0.000 0.902 560 N CB 0.011 38.523 38.487 0.042 0.000 0.970 560 N HN 0.222 nan 8.380 nan 0.000 0.451 561 S N 0.361 116.111 115.700 0.084 0.000 2.645 561 S HA 0.223 4.688 4.470 -0.007 0.000 0.266 561 S C -0.023 174.556 174.600 -0.034 0.000 1.258 561 S CA -0.903 57.332 58.200 0.059 0.000 0.990 561 S CB 1.212 64.473 63.200 0.101 0.000 0.967 561 S HN 0.160 nan 8.310 nan 0.000 0.556 562 L N 1.816 122.866 121.223 -0.288 0.000 2.361 562 L HA 0.400 4.736 4.340 -0.007 0.000 0.278 562 L C -0.980 175.867 176.870 -0.038 0.000 1.113 562 L CA -0.654 53.817 54.840 -0.615 0.000 0.849 562 L CB -0.142 41.232 42.059 -1.141 0.000 1.155 562 L HN 0.715 nan 8.230 nan 0.000 0.452 563 F N 4.240 124.058 119.950 -0.220 0.000 2.405 563 F HA 0.098 4.621 4.527 -0.006 0.000 0.358 563 F C 0.436 176.166 175.800 -0.116 0.000 1.151 563 F CA -0.820 57.117 58.000 -0.105 0.000 1.161 563 F CB 0.552 39.538 39.000 -0.024 0.000 1.245 563 F HN 0.533 nan 8.300 nan 0.000 0.545 564 D N 4.866 125.267 120.400 0.002 0.000 2.396 564 D HA 0.240 4.876 4.640 -0.007 0.000 0.225 564 D C -1.009 175.232 176.300 -0.098 0.000 1.121 564 D CA -0.034 53.921 54.000 -0.074 0.000 0.853 564 D CB 1.375 42.114 40.800 -0.102 0.000 1.043 564 D HN 0.267 nan 8.370 nan 0.000 0.500 565 V N 2.941 122.781 119.914 -0.124 0.000 2.735 565 V HA 0.584 4.700 4.120 -0.007 0.000 0.310 565 V C -1.431 174.519 176.094 -0.241 0.000 1.061 565 V CA -0.663 61.548 62.300 -0.148 0.000 0.913 565 V CB 1.933 33.726 31.823 -0.050 0.000 1.005 565 V HN 0.536 nan 8.190 nan 0.000 0.428 566 Q N 4.431 124.105 119.800 -0.210 0.000 2.397 566 Q HA 0.637 4.973 4.340 -0.007 0.000 0.260 566 Q C -1.550 174.291 176.000 -0.264 0.000 1.002 566 Q CA -0.611 55.053 55.803 -0.231 0.000 0.716 566 Q CB 1.869 30.496 28.738 -0.185 0.000 1.258 566 Q HN 1.131 nan 8.270 nan 0.000 0.477 567 V N 1.773 121.517 119.914 -0.284 0.000 2.487 567 V HA 0.871 4.987 4.120 -0.007 0.000 0.298 567 V C -0.818 174.988 176.094 -0.481 0.000 1.028 567 V CA -0.526 61.411 62.300 -0.605 0.000 0.860 567 V CB 1.288 32.517 31.823 -0.990 0.000 0.991 567 V HN 0.809 nan 8.190 nan 0.000 0.427 568 K N 2.486 122.646 120.400 -0.400 0.000 3.040 568 K HA 0.380 4.696 4.320 -0.007 0.000 0.300 568 K C -1.318 175.282 176.600 -0.000 0.000 1.092 568 K CA -1.128 55.116 56.287 -0.072 0.000 0.831 568 K CB 0.883 33.337 32.500 -0.078 0.000 1.469 568 K HN 0.467 nan 8.250 nan 0.000 0.365 569 R N 0.918 121.475 120.500 0.095 0.000 2.640 569 R HA 0.173 4.509 4.340 -0.007 0.000 0.270 569 R C 0.368 176.703 176.300 0.059 0.000 1.024 569 R CA -0.323 55.850 56.100 0.121 0.000 1.085 569 R CB -0.181 30.224 30.300 0.175 0.000 0.963 569 R HN 0.462 nan 8.270 nan 0.000 0.426 570 I N 4.245 124.854 120.570 0.066 0.000 2.452 570 I HA 0.086 4.252 4.170 -0.007 0.000 0.287 570 I C 0.725 176.826 176.117 -0.028 0.000 1.079 570 I CA 0.603 61.895 61.300 -0.014 0.000 1.387 570 I CB -0.352 37.626 38.000 -0.037 0.000 1.404 570 I HN 0.311 nan 8.210 nan 0.000 0.522 571 H N 4.892 123.869 119.070 -0.154 0.000 3.046 571 H HA 0.228 4.780 4.556 -0.007 0.000 0.363 571 H C 0.414 175.632 175.328 -0.184 0.000 1.203 571 H CA -0.401 55.600 56.048 -0.079 0.000 1.169 571 H CB 1.934 31.629 29.762 -0.111 0.000 1.851 571 H HN 0.571 nan 8.280 nan 0.000 0.546 572 E N 1.915 122.234 120.200 0.197 0.000 2.153 572 E HA -0.212 4.134 4.350 -0.007 0.000 0.194 572 E C 1.287 177.677 176.600 -0.351 0.000 0.988 572 E CA 1.504 57.940 56.400 0.060 0.000 0.811 572 E CB 0.023 29.948 29.700 0.375 0.000 0.746 572 E HN 0.561 nan 8.360 nan 0.000 0.466 573 Y N 0.812 120.657 120.300 -0.758 0.000 2.439 573 Y HA 0.006 4.552 4.550 -0.007 0.000 0.292 573 Y C 1.596 177.209 175.900 -0.477 0.000 1.130 573 Y CA 0.616 58.012 58.100 -1.174 0.000 1.254 573 Y CB 0.037 37.825 38.460 -1.120 0.000 1.000 573 Y HN -0.221 nan 8.280 nan 0.000 0.554 574 K N 1.115 121.023 120.400 -0.820 0.000 2.288 574 K HA -0.030 4.285 4.320 -0.007 0.000 0.201 574 K C 0.368 176.784 176.600 -0.306 0.000 1.048 574 K CA 1.012 56.940 56.287 -0.599 0.000 0.956 574 K CB -0.260 31.930 32.500 -0.517 0.000 0.746 574 K HN 0.475 nan 8.250 nan 0.000 0.461 575 R N 0.408 120.762 120.500 -0.243 0.000 3.418 575 R HA -0.176 4.159 4.340 -0.007 0.000 0.274 575 R C 0.665 176.887 176.300 -0.131 0.000 1.108 575 R CA 0.305 56.317 56.100 -0.147 0.000 0.741 575 R CB -2.053 28.169 30.300 -0.129 0.000 1.223 575 R HN 0.197 nan 8.270 nan 0.000 0.434 576 Q N 0.329 120.051 119.800 -0.129 0.000 2.234 576 Q HA -0.061 4.275 4.340 -0.007 0.000 0.206 576 Q C 1.894 177.848 176.000 -0.077 0.000 0.980 576 Q CA 1.527 57.268 55.803 -0.103 0.000 0.869 576 Q CB 0.019 28.701 28.738 -0.093 0.000 0.912 576 Q HN 0.587 nan 8.270 nan 0.000 0.436 577 L N -0.623 120.558 121.223 -0.070 0.000 2.083 577 L HA -0.179 4.157 4.340 -0.007 0.000 0.209 577 L C 2.019 178.893 176.870 0.006 0.000 1.083 577 L CA 0.514 55.328 54.840 -0.044 0.000 0.752 577 L CB -0.376 41.666 42.059 -0.027 0.000 0.899 577 L HN 0.310 nan 8.230 nan 0.000 0.433 578 L N 0.328 121.546 121.223 -0.009 0.000 2.046 578 L HA -0.234 4.102 4.340 -0.007 0.000 0.208 578 L C 2.272 179.201 176.870 0.099 0.000 1.077 578 L CA 1.752 56.600 54.840 0.013 0.000 0.747 578 L CB -0.881 41.067 42.059 -0.184 0.000 0.896 578 L HN 0.261 nan 8.230 nan 0.000 0.432 579 N N -0.661 118.062 118.700 0.039 0.000 2.120 579 N HA -0.202 4.534 4.740 -0.007 0.000 0.188 579 N C 1.917 177.510 175.510 0.138 0.000 1.024 579 N CA 1.867 55.016 53.050 0.165 0.000 0.852 579 N CB -0.644 37.869 38.487 0.043 0.000 1.003 579 N HN 0.510 nan 8.380 nan 0.000 0.424 580 C N 0.592 119.910 119.300 0.030 0.000 2.413 580 C HA -0.040 4.416 4.460 -0.007 0.000 0.276 580 C C 2.830 177.814 174.990 -0.010 0.000 1.248 580 C CA 0.302 59.291 59.018 -0.048 0.000 1.742 580 C CB -1.299 26.361 27.740 -0.133 0.000 2.017 580 C HN 0.477 nan 8.230 nan 0.000 0.481 581 L N -0.348 120.929 121.223 0.091 0.000 2.083 581 L HA -0.200 4.136 4.340 -0.007 0.000 0.209 581 L C 2.762 179.773 176.870 0.235 0.000 1.083 581 L CA 1.759 56.700 54.840 0.167 0.000 0.752 581 L CB -1.033 41.202 42.059 0.292 0.000 0.899 581 L HN 0.594 nan 8.230 nan 0.000 0.433 582 H N -0.069 119.098 119.070 0.162 0.000 2.357 582 H HA -0.122 4.430 4.556 -0.007 0.000 0.301 582 H C 2.234 177.543 175.328 -0.031 0.000 1.082 582 H CA 1.786 57.844 56.048 0.015 0.000 1.342 582 H CB 0.339 30.032 29.762 -0.115 0.000 1.389 582 H HN 0.094 nan 8.280 nan 0.000 0.511 583 V N 1.626 121.467 119.914 -0.122 0.000 2.287 583 V HA -0.280 3.835 4.120 -0.007 0.000 0.248 583 V C 2.845 178.867 176.094 -0.120 0.000 1.053 583 V CA 1.944 64.140 62.300 -0.173 0.000 1.027 583 V CB -0.527 31.236 31.823 -0.099 0.000 0.646 583 V HN 0.388 nan 8.190 nan 0.000 0.447 584 I N -0.203 120.327 120.570 -0.066 0.000 2.361 584 I HA -0.216 3.949 4.170 -0.007 0.000 0.251 584 I C 2.474 178.628 176.117 0.061 0.000 1.133 584 I CA 1.676 62.999 61.300 0.039 0.000 1.413 584 I CB -0.646 37.352 38.000 -0.002 0.000 1.073 584 I HN 0.331 nan 8.210 nan 0.000 0.424 585 T N 1.099 115.643 114.554 -0.017 0.000 2.746 585 T HA -0.132 4.214 4.350 -0.007 0.000 0.267 585 T C 1.876 176.507 174.700 -0.114 0.000 1.039 585 T CA 1.139 63.219 62.100 -0.033 0.000 1.142 585 T CB -0.216 68.648 68.868 -0.006 0.000 0.866 585 T HN 0.088 nan 8.240 nan 0.000 0.444 586 L N 0.131 121.217 121.223 -0.228 0.000 2.046 586 L HA -0.005 4.331 4.340 -0.007 0.000 0.208 586 L C 2.109 178.926 176.870 -0.088 0.000 1.077 586 L CA 1.579 56.285 54.840 -0.223 0.000 0.747 586 L CB -0.887 40.973 42.059 -0.332 0.000 0.896 586 L HN 0.362 nan 8.230 nan 0.000 0.432 587 Y N -0.005 120.219 120.300 -0.127 0.000 2.181 587 Y HA -0.271 4.275 4.550 -0.007 0.000 0.288 587 Y C 2.398 178.266 175.900 -0.053 0.000 1.146 587 Y CA 1.754 59.819 58.100 -0.060 0.000 1.164 587 Y CB -0.072 38.395 38.460 0.012 0.000 0.982 587 Y HN 0.275 nan 8.280 nan 0.000 0.515 588 N N 0.495 119.120 118.700 -0.124 0.000 2.188 588 N HA -0.132 4.604 4.740 -0.007 0.000 0.184 588 N C 1.807 177.189 175.510 -0.214 0.000 1.018 588 N CA 1.467 54.384 53.050 -0.222 0.000 0.858 588 N CB -0.355 38.068 38.487 -0.107 0.000 0.989 588 N HN 0.445 nan 8.380 nan 0.000 0.426 589 R N 0.461 120.865 120.500 -0.160 0.000 2.096 589 R HA 0.057 4.392 4.340 -0.007 0.000 0.235 589 R C 2.212 178.419 176.300 -0.155 0.000 1.127 589 R CA 0.748 56.765 56.100 -0.138 0.000 0.968 589 R CB -0.244 29.984 30.300 -0.120 0.000 0.861 589 R HN 0.252 nan 8.270 nan 0.000 0.440 590 I N 0.960 121.417 120.570 -0.188 0.000 2.202 590 I HA -0.260 3.905 4.170 -0.007 0.000 0.242 590 I C 2.068 178.066 176.117 -0.200 0.000 1.091 590 I CA 1.196 62.389 61.300 -0.179 0.000 1.368 590 I CB -0.191 37.706 38.000 -0.172 0.000 1.058 590 I HN 0.045 nan 8.210 nan 0.000 0.410 591 K N 0.821 121.037 120.400 -0.306 0.000 2.209 591 K HA -0.204 4.112 4.320 -0.007 0.000 0.204 591 K C 2.004 178.503 176.600 -0.169 0.000 1.048 591 K CA 1.072 57.196 56.287 -0.273 0.000 0.940 591 K CB -0.270 31.987 32.500 -0.404 0.000 0.729 591 K HN 0.152 nan 8.250 nan 0.000 0.451 592 K N 1.757 122.063 120.400 -0.156 0.000 2.031 592 K HA -0.073 4.242 4.320 -0.007 0.000 0.205 592 K C 0.125 176.676 176.600 -0.082 0.000 1.049 592 K CA 1.315 57.537 56.287 -0.108 0.000 0.939 592 K CB 0.292 32.732 32.500 -0.101 0.000 0.717 592 K HN 0.050 nan 8.250 nan 0.000 0.438 593 E N 0.225 120.375 120.200 -0.084 0.000 3.108 593 E HA 0.171 4.517 4.350 -0.007 0.000 0.228 593 E C -2.299 174.265 176.600 -0.061 0.000 1.176 593 E CA -1.687 54.677 56.400 -0.060 0.000 0.881 593 E CB 1.575 31.246 29.700 -0.049 0.000 1.354 593 E HN 0.096 nan 8.360 nan 0.000 0.400 594 P HA -0.174 nan 4.420 nan 0.000 0.216 594 P C 0.212 177.495 177.300 -0.029 0.000 1.150 594 P CA 1.282 64.350 63.100 -0.053 0.000 0.843 594 P CB 0.192 31.864 31.700 -0.045 0.000 0.787 595 N N -1.358 117.333 118.700 -0.014 0.000 2.295 595 N HA 0.020 4.755 4.740 -0.007 0.000 0.221 595 N C 0.375 175.901 175.510 0.028 0.000 1.129 595 N CA -0.039 53.016 53.050 0.008 0.000 0.836 595 N CB -0.010 38.481 38.487 0.007 0.000 1.040 595 N HN 0.019 nan 8.380 nan 0.000 0.494 596 K N 1.099 121.509 120.400 0.016 0.000 2.143 596 K HA 0.157 4.473 4.320 -0.007 0.000 0.272 596 K C -0.888 175.753 176.600 0.067 0.000 1.001 596 K CA -0.569 55.741 56.287 0.038 0.000 0.915 596 K CB 0.600 33.100 32.500 0.000 0.000 1.047 596 K HN -0.045 nan 8.250 nan 0.000 0.458 597 F N 4.437 124.370 119.950 -0.027 0.000 2.443 597 F HA 0.240 4.762 4.527 -0.007 0.000 0.353 597 F C -0.399 175.384 175.800 -0.029 0.000 1.101 597 F CA -0.086 57.899 58.000 -0.025 0.000 1.226 597 F CB 0.662 39.651 39.000 -0.019 0.000 1.140 597 F HN 0.201 nan 8.300 nan 0.000 0.557 598 V N 4.017 123.312 119.914 -1.032 0.000 2.888 598 V HA 0.532 4.648 4.120 -0.007 0.000 0.309 598 V C -0.923 174.559 176.094 -1.019 0.000 1.114 598 V CA -1.215 60.627 62.300 -0.764 0.000 0.940 598 V CB 0.894 32.487 31.823 -0.383 0.000 1.021 598 V HN 0.590 nan 8.190 nan 0.000 0.426 599 V N 4.664 124.224 119.914 -0.591 0.000 2.485 599 V HA 0.203 4.319 4.120 -0.007 0.000 0.287 599 V C -1.848 174.077 176.094 -0.282 0.000 1.022 599 V CA -0.482 61.611 62.300 -0.345 0.000 1.067 599 V CB 0.493 32.238 31.823 -0.129 0.000 0.967 599 V HN 0.898 nan 8.190 nan 0.000 0.479 600 P HA 0.280 nan 4.420 nan 0.000 0.268 600 P C -0.360 176.856 177.300 -0.140 0.000 1.204 600 P CA 0.121 63.140 63.100 -0.135 0.000 0.768 600 P CB 0.485 32.157 31.700 -0.047 0.000 0.842 601 R N 1.306 121.735 120.500 -0.118 0.000 2.771 601 R HA 0.605 4.940 4.340 -0.007 0.000 0.274 601 R C -0.854 175.410 176.300 -0.060 0.000 0.987 601 R CA -0.672 55.361 56.100 -0.112 0.000 0.908 601 R CB 2.075 32.291 30.300 -0.140 0.000 1.213 601 R HN 0.262 nan 8.270 nan 0.000 0.468 602 T N 1.790 116.321 114.554 -0.038 0.000 2.864 602 T HA 0.241 4.587 4.350 -0.007 0.000 0.310 602 T C -0.476 174.146 174.700 -0.130 0.000 1.040 602 T CA -0.475 61.569 62.100 -0.094 0.000 0.977 602 T CB 1.164 69.920 68.868 -0.186 0.000 0.976 602 T HN 0.147 nan 8.240 nan 0.000 0.459 603 V N 5.763 125.609 119.914 -0.113 0.000 2.406 603 V HA 0.443 4.558 4.120 -0.007 0.000 0.272 603 V C 0.085 176.107 176.094 -0.120 0.000 1.043 603 V CA -0.369 61.868 62.300 -0.105 0.000 0.915 603 V CB 0.752 32.529 31.823 -0.077 0.000 0.988 603 V HN 0.842 nan 8.190 nan 0.000 0.466 604 M N 6.586 126.104 119.600 -0.137 0.000 2.243 604 M HA 0.614 5.089 4.480 -0.007 0.000 0.324 604 M C -1.013 175.183 176.300 -0.173 0.000 1.031 604 M CA -0.156 55.055 55.300 -0.149 0.000 0.949 604 M CB 2.028 34.538 32.600 -0.152 0.000 1.615 604 M HN 0.431 nan 8.290 nan 0.000 0.430 605 I N 1.903 122.350 120.570 -0.206 0.000 2.498 605 I HA 0.821 4.987 4.170 -0.007 0.000 0.290 605 I C 0.049 175.841 176.117 -0.542 0.000 1.032 605 I CA -0.649 60.499 61.300 -0.253 0.000 1.073 605 I CB 2.292 40.230 38.000 -0.103 0.000 1.251 605 I HN 0.798 nan 8.210 nan 0.000 0.426 606 G N 2.967 111.425 108.800 -0.570 0.000 2.690 606 G HA2 0.840 4.795 3.960 -0.007 0.000 0.293 606 G HA3 0.840 4.795 3.960 -0.007 0.000 0.293 606 G C -1.001 173.617 174.900 -0.470 0.000 1.399 606 G CA -0.775 43.853 45.100 -0.787 0.000 0.890 606 G HN 0.991 nan 8.290 nan 0.000 0.485 607 G N -0.401 108.275 108.800 -0.206 0.000 2.337 607 G HA2 0.405 4.361 3.960 -0.007 0.000 0.310 607 G HA3 0.405 4.361 3.960 -0.007 0.000 0.310 607 G C -1.270 173.776 174.900 0.242 0.000 1.534 607 G CA -1.021 44.123 45.100 0.074 0.000 0.982 607 G HN 0.612 nan 8.290 nan 0.000 0.672 608 K N -0.207 120.334 120.400 0.234 0.000 2.098 608 K HA 0.780 5.096 4.320 -0.007 0.000 0.258 608 K C 0.192 176.945 176.600 0.255 0.000 0.973 608 K CA -0.227 56.219 56.287 0.266 0.000 0.898 608 K CB 2.074 34.642 32.500 0.113 0.000 1.057 608 K HN 0.897 nan 8.250 nan 0.000 0.447 609 A N 1.201 124.206 122.820 0.307 0.000 2.337 609 A HA 0.655 4.970 4.320 -0.007 0.000 0.329 609 A C -0.585 177.182 177.584 0.306 0.000 1.146 609 A CA -0.768 51.388 52.037 0.197 0.000 0.800 609 A CB 1.151 20.181 19.000 0.051 0.000 1.220 609 A HN 0.761 nan 8.150 nan 0.000 0.472 610 A N 3.522 126.506 122.820 0.274 0.000 2.520 610 A HA 0.481 4.796 4.320 -0.007 0.000 0.245 610 A C -1.370 176.298 177.584 0.140 0.000 1.072 610 A CA -0.830 51.368 52.037 0.267 0.000 0.761 610 A CB -0.387 18.744 19.000 0.219 0.000 1.004 610 A HN 0.602 nan 8.150 nan 0.000 0.499 611 P HA -0.181 nan 4.420 nan 0.000 0.218 611 P C 1.265 178.554 177.300 -0.018 0.000 1.152 611 P CA 2.118 65.159 63.100 -0.097 0.000 0.857 611 P CB 0.220 31.814 31.700 -0.178 0.000 0.787 612 G N -3.284 105.531 108.800 0.025 0.000 3.233 612 G HA2 -0.053 3.903 3.960 -0.007 0.000 0.234 612 G HA3 -0.053 3.903 3.960 -0.007 0.000 0.234 612 G C -0.274 174.660 174.900 0.057 0.000 1.137 612 G CA -0.120 44.998 45.100 0.029 0.000 0.763 612 G HN 0.309 nan 8.290 nan 0.000 0.549 613 Y N 1.732 121.975 120.300 -0.096 0.000 2.691 613 Y HA 0.188 4.734 4.550 -0.007 0.000 0.338 613 Y C 1.664 177.542 175.900 -0.038 0.000 1.148 613 Y CA -1.066 56.951 58.100 -0.138 0.000 1.430 613 Y CB 0.051 38.389 38.460 -0.203 0.000 1.303 613 Y HN 0.318 nan 8.280 nan 0.000 0.499 614 H N 3.733 122.912 119.070 0.181 0.000 2.289 614 H HA -0.258 4.294 4.556 -0.007 0.000 0.294 614 H C 1.841 177.194 175.328 0.042 0.000 1.095 614 H CA 2.514 58.618 56.048 0.093 0.000 1.256 614 H CB 0.328 30.142 29.762 0.086 0.000 1.359 614 H HN 0.712 nan 8.280 nan 0.000 0.487 615 M N 0.967 120.568 119.600 0.000 0.000 2.108 615 M HA -0.097 4.379 4.480 -0.007 0.000 0.261 615 M C 2.560 178.627 176.300 -0.389 0.000 1.066 615 M CA 1.895 57.105 55.300 -0.150 0.000 1.107 615 M CB -0.735 31.904 32.600 0.065 0.000 1.356 615 M HN 0.349 nan 8.290 nan 0.000 0.406 616 A N -0.520 121.829 122.820 -0.786 0.000 1.933 616 A HA -0.185 4.130 4.320 -0.007 0.000 0.218 616 A C 2.195 179.577 177.584 -0.338 0.000 1.175 616 A CA 1.804 53.408 52.037 -0.721 0.000 0.628 616 A CB -0.644 17.710 19.000 -1.078 0.000 0.814 616 A HN 0.587 nan 8.150 nan 0.000 0.444 617 K N -1.161 119.089 120.400 -0.250 0.000 2.155 617 K HA -0.003 4.313 4.320 -0.007 0.000 0.203 617 K C 1.816 178.365 176.600 -0.085 0.000 1.052 617 K CA 1.057 57.285 56.287 -0.099 0.000 0.948 617 K CB -0.168 32.328 32.500 -0.006 0.000 0.728 617 K HN 0.352 nan 8.250 nan 0.000 0.448 618 M N 0.437 119.933 119.600 -0.173 0.000 2.254 618 M HA -0.037 4.439 4.480 -0.007 0.000 0.265 618 M C 2.053 178.290 176.300 -0.104 0.000 1.066 618 M CA 1.275 56.514 55.300 -0.101 0.000 1.123 618 M CB -0.501 32.027 32.600 -0.120 0.000 1.388 618 M HN 0.114 nan 8.290 nan 0.000 0.425 619 I N -0.190 120.284 120.570 -0.160 0.000 2.315 619 I HA -0.286 3.880 4.170 -0.007 0.000 0.248 619 I C 2.269 178.269 176.117 -0.196 0.000 1.117 619 I CA 1.020 62.219 61.300 -0.169 0.000 1.404 619 I CB -0.255 37.644 38.000 -0.168 0.000 1.071 619 I HN 0.166 nan 8.210 nan 0.000 0.419 620 I N 0.696 121.132 120.570 -0.223 0.000 2.226 620 I HA -0.293 3.873 4.170 -0.007 0.000 0.245 620 I C 2.586 178.437 176.117 -0.442 0.000 1.100 620 I CA 1.207 62.288 61.300 -0.364 0.000 1.374 620 I CB -0.264 37.494 38.000 -0.403 0.000 1.057 620 I HN 0.145 nan 8.210 nan 0.000 0.413 621 K N 1.538 121.691 120.400 -0.412 0.000 2.097 621 K HA -0.145 4.171 4.320 -0.007 0.000 0.206 621 K C 2.018 178.464 176.600 -0.257 0.000 1.049 621 K CA 1.438 57.403 56.287 -0.536 0.000 0.933 621 K CB -0.520 31.385 32.500 -0.992 0.000 0.717 621 K HN 0.243 nan 8.250 nan 0.000 0.442 622 L N 0.316 121.417 121.223 -0.203 0.000 2.017 622 L HA -0.150 4.186 4.340 -0.007 0.000 0.208 622 L C 2.147 178.782 176.870 -0.391 0.000 1.073 622 L CA 1.591 56.144 54.840 -0.478 0.000 0.745 622 L CB -0.246 41.452 42.059 -0.601 0.000 0.894 622 L HN 0.251 nan 8.230 nan 0.000 0.432 623 I N -0.205 120.192 120.570 -0.287 0.000 2.163 623 I HA -0.331 3.835 4.170 -0.007 0.000 0.243 623 I C 2.627 178.646 176.117 -0.164 0.000 1.085 623 I CA 1.922 63.105 61.300 -0.194 0.000 1.347 623 I CB -0.673 37.296 38.000 -0.051 0.000 1.044 623 I HN 0.437 nan 8.210 nan 0.000 0.408 624 T N -0.740 113.691 114.554 -0.206 0.000 2.821 624 T HA -0.061 4.285 4.350 -0.007 0.000 0.267 624 T C 2.017 176.655 174.700 -0.104 0.000 1.046 624 T CA 0.921 62.930 62.100 -0.152 0.000 1.139 624 T CB -0.495 68.236 68.868 -0.229 0.000 0.871 624 T HN 0.340 nan 8.240 nan 0.000 0.454 625 A N 1.665 124.417 122.820 -0.113 0.000 1.902 625 A HA 0.106 4.422 4.320 -0.007 0.000 0.217 625 A C 2.401 179.993 177.584 0.013 0.000 1.181 625 A CA 1.401 53.437 52.037 -0.002 0.000 0.623 625 A CB -0.883 18.201 19.000 0.139 0.000 0.818 625 A HN 0.594 nan 8.150 nan 0.000 0.443 626 I N -0.336 120.135 120.570 -0.165 0.000 2.286 626 I HA -0.205 3.961 4.170 -0.007 0.000 0.248 626 I C 2.648 178.722 176.117 -0.071 0.000 1.115 626 I CA 1.090 62.261 61.300 -0.216 0.000 1.392 626 I CB -0.540 37.213 38.000 -0.412 0.000 1.065 626 I HN 0.408 nan 8.210 nan 0.000 0.418 627 G N 0.307 109.068 108.800 -0.064 0.000 2.408 627 G HA2 -0.226 3.730 3.960 -0.007 0.000 0.217 627 G HA3 -0.226 3.730 3.960 -0.007 0.000 0.217 627 G C 1.230 176.157 174.900 0.045 0.000 1.150 627 G CA 0.719 45.801 45.100 -0.029 0.000 0.776 627 G HN 0.276 nan 8.290 nan 0.000 0.542 628 D N 0.083 120.535 120.400 0.086 0.000 2.182 628 D HA -0.075 4.561 4.640 -0.007 0.000 0.201 628 D C 2.641 179.061 176.300 0.199 0.000 0.986 628 D CA 0.602 54.701 54.000 0.166 0.000 0.847 628 D CB -0.025 40.812 40.800 0.061 0.000 0.942 628 D HN 0.268 nan 8.370 nan 0.000 0.467 629 V N 0.010 119.987 119.914 0.106 0.000 2.374 629 V HA -0.110 4.006 4.120 -0.007 0.000 0.241 629 V C 2.572 178.645 176.094 -0.036 0.000 1.034 629 V CA 0.612 62.930 62.300 0.029 0.000 1.037 629 V CB -0.252 31.589 31.823 0.029 0.000 0.682 629 V HN 0.009 nan 8.190 nan 0.000 0.463 630 V N 1.130 120.955 119.914 -0.147 0.000 2.343 630 V HA -0.208 3.908 4.120 -0.007 0.000 0.247 630 V C 2.144 178.201 176.094 -0.061 0.000 1.051 630 V CA 2.045 64.233 62.300 -0.186 0.000 1.036 630 V CB -0.889 30.814 31.823 -0.201 0.000 0.654 630 V HN 0.568 nan 8.190 nan 0.000 0.451 631 N N -0.269 118.364 118.700 -0.111 0.000 2.512 631 N HA -0.089 4.646 4.740 -0.007 0.000 0.183 631 N C 1.186 176.431 175.510 -0.441 0.000 1.073 631 N CA 0.901 53.790 53.050 -0.269 0.000 0.911 631 N CB -0.264 38.011 38.487 -0.353 0.000 0.964 631 N HN 0.684 nan 8.380 nan 0.000 0.447 632 H N -1.411 117.657 119.070 -0.002 0.000 2.784 632 H HA 0.200 4.752 4.556 -0.007 0.000 0.273 632 H C -0.487 174.852 175.328 0.020 0.000 1.112 632 H CA -0.499 55.551 56.048 0.003 0.000 1.162 632 H CB 0.556 30.315 29.762 -0.006 0.000 1.586 632 H HN -0.004 nan 8.280 nan 0.000 0.548 633 D N 1.648 122.119 120.400 0.118 0.000 2.339 633 D HA 0.044 4.680 4.640 -0.007 0.000 0.241 633 D C -1.626 174.725 176.300 0.086 0.000 1.183 633 D CA -2.020 52.063 54.000 0.138 0.000 0.859 633 D CB 1.646 42.606 40.800 0.267 0.000 1.067 633 D HN 0.077 nan 8.370 nan 0.000 0.484 634 P HA -0.159 nan 4.420 nan 0.000 0.216 634 P C 1.561 178.874 177.300 0.023 0.000 1.150 634 P CA 0.560 63.679 63.100 0.032 0.000 0.843 634 P CB 0.400 32.116 31.700 0.027 0.000 0.787 635 V N -0.818 119.113 119.914 0.028 0.000 2.490 635 V HA -0.175 3.941 4.120 -0.007 0.000 0.250 635 V C 2.388 178.484 176.094 0.002 0.000 1.061 635 V CA 1.529 63.833 62.300 0.007 0.000 1.064 635 V CB -1.030 30.787 31.823 -0.009 0.000 0.670 635 V HN -0.006 nan 8.190 nan 0.000 0.461 636 V N -0.223 119.710 119.914 0.032 0.000 2.323 636 V HA 0.115 4.231 4.120 -0.007 0.000 0.244 636 V C 1.788 177.882 176.094 0.000 0.000 1.041 636 V CA 1.601 63.920 62.300 0.031 0.000 1.025 636 V CB -1.218 30.671 31.823 0.109 0.000 0.656 636 V HN 0.741 nan 8.190 nan 0.000 0.451 637 G N 1.526 110.324 108.800 -0.005 0.000 2.527 637 G HA2 -0.347 3.609 3.960 -0.007 0.000 0.268 637 G HA3 -0.347 3.609 3.960 -0.007 0.000 0.268 637 G C 0.162 175.035 174.900 -0.045 0.000 1.175 637 G CA 0.420 45.504 45.100 -0.027 0.000 0.962 637 G HN 0.706 nan 8.290 nan 0.000 0.560 638 D N 0.150 120.525 120.400 -0.043 0.000 2.525 638 D HA 0.285 4.921 4.640 -0.007 0.000 0.229 638 D C 1.696 177.976 176.300 -0.032 0.000 1.202 638 D CA -0.032 53.941 54.000 -0.044 0.000 0.828 638 D CB 0.031 40.809 40.800 -0.037 0.000 1.008 638 D HN 0.588 nan 8.370 nan 0.000 0.493 639 R N -0.704 119.771 120.500 -0.041 0.000 2.210 639 R HA 0.290 4.626 4.340 -0.007 0.000 0.203 639 R C -0.089 176.168 176.300 -0.072 0.000 1.010 639 R CA 0.192 56.252 56.100 -0.067 0.000 1.008 639 R CB 0.329 30.577 30.300 -0.087 0.000 0.923 639 R HN 0.114 nan 8.270 nan 0.000 0.469 640 L N 0.496 121.691 121.223 -0.047 0.000 2.543 640 L HA 0.416 4.752 4.340 -0.007 0.000 0.265 640 L C -1.728 175.115 176.870 -0.044 0.000 0.945 640 L CA -0.571 54.241 54.840 -0.046 0.000 0.869 640 L CB 1.764 43.809 42.059 -0.024 0.000 1.294 640 L HN -0.164 nan 8.230 nan 0.000 0.405 641 R N 3.838 124.303 120.500 -0.059 0.000 2.628 641 R HA 0.773 5.109 4.340 -0.007 0.000 0.288 641 R C -1.599 174.655 176.300 -0.078 0.000 0.980 641 R CA -0.804 55.254 56.100 -0.070 0.000 0.891 641 R CB 2.353 32.613 30.300 -0.066 0.000 1.188 641 R HN 0.395 nan 8.270 nan 0.000 0.450 642 V N 4.754 124.622 119.914 -0.077 0.000 2.376 642 V HA 0.442 4.558 4.120 -0.007 0.000 0.287 642 V C -0.402 175.662 176.094 -0.051 0.000 1.015 642 V CA -0.693 61.564 62.300 -0.071 0.000 0.834 642 V CB 1.437 33.213 31.823 -0.079 0.000 1.001 642 V HN 0.505 nan 8.190 nan 0.000 0.428 643 I N 4.939 125.477 120.570 -0.052 0.000 2.509 643 I HA 0.462 4.628 4.170 -0.007 0.000 0.293 643 I C -0.625 175.488 176.117 -0.007 0.000 1.020 643 I CA -0.541 60.743 61.300 -0.028 0.000 1.088 643 I CB 1.838 39.803 38.000 -0.058 0.000 1.267 643 I HN 0.536 nan 8.210 nan 0.000 0.430 644 F N 6.977 126.871 119.950 -0.093 0.000 2.391 644 F HA 0.507 5.030 4.527 -0.007 0.000 0.359 644 F C -0.618 175.128 175.800 -0.090 0.000 1.122 644 F CA -0.751 57.194 58.000 -0.092 0.000 1.120 644 F CB 0.683 39.627 39.000 -0.094 0.000 1.142 644 F HN 0.141 nan 8.300 nan 0.000 0.483 645 L N 6.011 126.847 121.223 -0.646 0.000 2.407 645 L HA 0.153 4.489 4.340 -0.007 0.000 0.282 645 L C 0.344 176.974 176.870 -0.400 0.000 1.110 645 L CA 0.187 54.798 54.840 -0.382 0.000 0.863 645 L CB -0.012 41.905 42.059 -0.236 0.000 1.207 645 L HN 0.621 nan 8.230 nan 0.000 0.454 646 E N 3.184 123.290 120.200 -0.157 0.000 2.373 646 E HA -0.029 4.316 4.350 -0.007 0.000 0.267 646 E C 0.548 177.227 176.600 0.132 0.000 1.032 646 E CA -0.209 56.218 56.400 0.046 0.000 0.889 646 E CB 0.308 29.937 29.700 -0.118 0.000 0.984 646 E HN 0.536 nan 8.360 nan 0.000 0.425 647 N N 2.585 121.417 118.700 0.220 0.000 2.725 647 N HA -0.288 4.448 4.740 -0.007 0.000 0.251 647 N C -1.481 174.140 175.510 0.186 0.000 1.031 647 N CA 0.547 53.724 53.050 0.211 0.000 0.720 647 N CB -1.543 37.082 38.487 0.230 0.000 0.930 647 N HN 0.474 nan 8.380 nan 0.000 0.543 648 Y N 1.413 121.738 120.300 0.041 0.000 2.717 648 Y HA 0.128 4.674 4.550 -0.007 0.000 0.330 648 Y C 1.162 177.087 175.900 0.043 0.000 1.217 648 Y CA 0.750 58.858 58.100 0.013 0.000 1.506 648 Y CB 0.304 38.741 38.460 -0.040 0.000 1.268 648 Y HN 0.391 nan 8.280 nan 0.000 0.561 649 R N 2.355 122.535 120.500 -0.533 0.000 2.762 649 R HA 0.462 4.797 4.340 -0.007 0.000 0.271 649 R C -0.332 175.631 176.300 -0.561 0.000 1.038 649 R CA -0.545 55.299 56.100 -0.426 0.000 0.906 649 R CB 0.265 30.503 30.300 -0.102 0.000 1.259 649 R HN 0.341 nan 8.270 nan 0.000 0.457 650 V N 1.064 120.695 119.914 -0.471 0.000 2.252 650 V HA -0.300 3.816 4.120 -0.007 0.000 0.249 650 V C 2.557 178.532 176.094 -0.198 0.000 1.056 650 V CA 2.848 64.937 62.300 -0.352 0.000 1.022 650 V CB -0.887 30.718 31.823 -0.363 0.000 0.641 650 V HN 0.926 nan 8.190 nan 0.000 0.445 651 S N 0.088 115.692 115.700 -0.159 0.000 2.419 651 S HA -0.166 4.300 4.470 -0.007 0.000 0.233 651 S C 1.899 176.453 174.600 -0.078 0.000 1.016 651 S CA 1.640 59.774 58.200 -0.110 0.000 0.974 651 S CB -0.511 62.652 63.200 -0.062 0.000 0.786 651 S HN 0.403 nan 8.310 nan 0.000 0.492 652 L N 1.854 123.036 121.223 -0.069 0.000 2.131 652 L HA 0.354 4.690 4.340 -0.007 0.000 0.206 652 L C 2.627 179.511 176.870 0.024 0.000 1.087 652 L CA 1.327 56.172 54.840 0.007 0.000 0.767 652 L CB -1.239 40.882 42.059 0.102 0.000 0.917 652 L HN 0.329 nan 8.230 nan 0.000 0.441 653 A N -0.597 122.207 122.820 -0.028 0.000 1.902 653 A HA -0.232 4.084 4.320 -0.007 0.000 0.217 653 A C 2.124 179.773 177.584 0.108 0.000 1.181 653 A CA 1.817 53.916 52.037 0.103 0.000 0.623 653 A CB -0.616 18.419 19.000 0.057 0.000 0.818 653 A HN 0.595 nan 8.150 nan 0.000 0.443 654 E N -0.371 119.876 120.200 0.078 0.000 2.265 654 E HA -0.171 4.175 4.350 -0.007 0.000 0.196 654 E C 1.899 178.473 176.600 -0.043 0.000 0.996 654 E CA 1.222 57.625 56.400 0.005 0.000 0.832 654 E CB -0.059 29.550 29.700 -0.152 0.000 0.756 654 E HN 0.621 nan 8.360 nan 0.000 0.491 655 K N 0.072 120.431 120.400 -0.068 0.000 2.141 655 K HA 0.020 4.336 4.320 -0.007 0.000 0.202 655 K C 2.189 178.639 176.600 -0.249 0.000 1.045 655 K CA 0.481 56.716 56.287 -0.088 0.000 0.971 655 K CB -0.032 32.415 32.500 -0.088 0.000 0.795 655 K HN -0.038 nan 8.250 nan 0.000 0.459 656 V N 2.006 121.676 119.914 -0.406 0.000 2.488 656 V HA -0.136 3.980 4.120 -0.007 0.000 0.246 656 V C 1.929 177.784 176.094 -0.398 0.000 1.046 656 V CA 1.214 63.041 62.300 -0.787 0.000 1.053 656 V CB -0.180 31.273 31.823 -0.617 0.000 0.679 656 V HN 0.245 nan 8.190 nan 0.000 0.458 657 I N 0.693 121.087 120.570 -0.292 0.000 2.163 657 I HA -0.150 4.016 4.170 -0.007 0.000 0.243 657 I C -0.277 175.734 176.117 -0.178 0.000 1.085 657 I CA 1.717 62.784 61.300 -0.389 0.000 1.347 657 I CB -1.536 36.121 38.000 -0.572 0.000 1.044 657 I HN 0.374 nan 8.210 nan 0.000 0.408 658 P HA -0.085 nan 4.420 nan 0.000 0.226 658 P C 0.920 178.220 177.300 -0.001 0.000 1.153 658 P CA 1.108 64.189 63.100 -0.032 0.000 0.777 658 P CB 0.075 31.765 31.700 -0.017 0.000 0.794 659 A N -1.146 121.659 122.820 -0.026 0.000 2.308 659 A HA 0.484 4.800 4.320 -0.007 0.000 0.217 659 A C 1.158 178.839 177.584 0.162 0.000 1.216 659 A CA 0.068 52.140 52.037 0.059 0.000 0.864 659 A CB -0.586 18.461 19.000 0.079 0.000 0.902 659 A HN 0.186 nan 8.150 nan 0.000 0.499 660 A N -0.035 122.882 122.820 0.161 0.000 2.388 660 A HA 0.466 4.782 4.320 -0.007 0.000 0.257 660 A C 0.357 178.084 177.584 0.239 0.000 1.095 660 A CA -0.111 52.083 52.037 0.262 0.000 0.791 660 A CB 0.330 19.572 19.000 0.404 0.000 1.029 660 A HN 0.273 nan 8.150 nan 0.000 0.489 661 D N 0.177 120.715 120.400 0.229 0.000 2.431 661 D HA 0.115 4.750 4.640 -0.007 0.000 0.235 661 D C -0.254 176.254 176.300 0.348 0.000 0.980 661 D CA 0.801 54.981 54.000 0.301 0.000 0.912 661 D CB 0.269 41.150 40.800 0.136 0.000 1.056 661 D HN 0.347 nan 8.370 nan 0.000 0.494 662 L N 0.570 121.884 121.223 0.151 0.000 2.356 662 L HA 0.366 4.702 4.340 -0.007 0.000 0.277 662 L C -0.783 175.966 176.870 -0.201 0.000 0.996 662 L CA -0.537 54.319 54.840 0.026 0.000 0.822 662 L CB 2.130 44.182 42.059 -0.011 0.000 1.256 662 L HN -0.284 nan 8.230 nan 0.000 0.413 663 S N 4.057 119.547 115.700 -0.350 0.000 2.429 663 S HA 0.463 4.929 4.470 -0.007 0.000 0.302 663 S C -0.642 173.675 174.600 -0.473 0.000 1.115 663 S CA -0.635 57.104 58.200 -0.769 0.000 1.095 663 S CB 0.400 63.082 63.200 -0.864 0.000 0.987 663 S HN 0.624 nan 8.310 nan 0.000 0.474 664 E N 4.125 124.058 120.200 -0.445 0.000 2.089 664 E HA 0.215 4.561 4.350 -0.007 0.000 0.284 664 E C -0.572 175.908 176.600 -0.199 0.000 1.023 664 E CA -0.429 55.835 56.400 -0.226 0.000 0.819 664 E CB 1.013 30.611 29.700 -0.170 0.000 1.076 664 E HN 0.592 nan 8.360 nan 0.000 0.396 665 Q N 2.768 122.504 119.800 -0.107 0.000 2.907 665 Q HA 0.269 4.605 4.340 -0.007 0.000 0.262 665 Q C 0.599 176.581 176.000 -0.029 0.000 0.997 665 Q CA -0.140 55.616 55.803 -0.079 0.000 0.797 665 Q CB 0.271 28.976 28.738 -0.055 0.000 1.228 665 Q HN 0.615 nan 8.270 nan 0.000 0.466 666 I N -1.581 118.958 120.570 -0.052 0.000 3.637 666 I HA 0.278 4.444 4.170 -0.007 0.000 0.342 666 I C 0.370 176.429 176.117 -0.096 0.000 1.545 666 I CA -0.660 60.619 61.300 -0.035 0.000 1.126 666 I CB 0.330 38.309 38.000 -0.034 0.000 1.375 666 I HN -0.003 nan 8.210 nan 0.000 0.467 667 S N 0.339 115.981 115.700 -0.096 0.000 2.579 667 S HA 0.209 4.675 4.470 -0.007 0.000 0.275 667 S C 0.557 175.129 174.600 -0.046 0.000 1.345 667 S CA -0.309 57.848 58.200 -0.071 0.000 1.031 667 S CB 0.462 63.666 63.200 0.007 0.000 0.892 667 S HN 0.391 nan 8.310 nan 0.000 0.529 668 T N 2.590 117.148 114.554 0.006 0.000 2.916 668 T HA 0.407 4.753 4.350 -0.007 0.000 0.303 668 T C 0.734 175.438 174.700 0.008 0.000 1.025 668 T CA 0.199 62.312 62.100 0.022 0.000 1.142 668 T CB 0.126 69.076 68.868 0.136 0.000 0.947 668 T HN 1.002 nan 8.240 nan 0.000 0.544 669 A N 2.560 125.356 122.820 -0.039 0.000 2.580 669 A HA 0.443 4.758 4.320 -0.007 0.000 0.244 669 A C 1.633 179.210 177.584 -0.013 0.000 1.045 669 A CA 0.324 52.336 52.037 -0.042 0.000 0.761 669 A CB -0.948 18.016 19.000 -0.061 0.000 0.962 669 A HN 1.713 nan 8.150 nan 0.000 0.512 670 G N 1.466 110.257 108.800 -0.014 0.000 2.175 670 G HA2 -0.236 3.720 3.960 -0.007 0.000 0.244 670 G HA3 -0.236 3.720 3.960 -0.007 0.000 0.244 670 G C 0.817 175.704 174.900 -0.021 0.000 0.982 670 G CA 1.154 46.248 45.100 -0.010 0.000 0.641 670 G HN 2.025 nan 8.290 nan 0.000 0.527 671 T N -2.762 111.776 114.554 -0.026 0.000 3.000 671 T HA 0.424 4.769 4.350 -0.007 0.000 0.248 671 T C 0.690 175.239 174.700 -0.252 0.000 1.034 671 T CA 1.010 63.029 62.100 -0.136 0.000 1.060 671 T CB 0.638 69.465 68.868 -0.067 0.000 0.983 671 T HN 0.277 nan 8.240 nan 0.000 0.482 672 E N 1.488 121.670 120.200 -0.029 0.000 2.044 672 E HA 0.684 5.030 4.350 -0.007 0.000 0.282 672 E C 1.171 177.723 176.600 -0.080 0.000 1.031 672 E CA 0.007 56.434 56.400 0.044 0.000 0.824 672 E CB 0.809 30.587 29.700 0.131 0.000 1.076 672 E HN 0.318 nan 8.360 nan 0.000 0.395 673 A N 3.392 126.085 122.820 -0.211 0.000 1.903 673 A HA -0.227 4.089 4.320 -0.007 0.000 0.219 673 A C 1.949 179.410 177.584 -0.205 0.000 1.191 673 A CA 2.331 54.110 52.037 -0.430 0.000 0.638 673 A CB -0.246 18.245 19.000 -0.849 0.000 0.823 673 A HN 0.610 nan 8.150 nan 0.000 0.451 674 S N -4.142 111.496 115.700 -0.103 0.000 4.193 674 S HA 0.453 4.919 4.470 -0.007 0.000 0.211 674 S C 0.652 175.244 174.600 -0.013 0.000 1.162 674 S CA 1.372 59.557 58.200 -0.025 0.000 1.039 674 S CB -0.121 63.086 63.200 0.011 0.000 1.371 674 S HN 2.312 nan 8.310 nan 0.000 0.550 675 G N 0.297 109.096 108.800 -0.003 0.000 2.705 675 G HA2 -0.013 3.942 3.960 -0.007 0.000 0.686 675 G HA3 -0.013 3.942 3.960 -0.007 0.000 0.686 675 G C 0.234 175.119 174.900 -0.025 0.000 1.285 675 G CA 0.461 45.556 45.100 -0.008 0.000 0.800 675 G HN 1.369 nan 8.290 nan 0.000 0.611 676 T N -1.991 112.535 114.554 -0.048 0.000 3.010 676 T HA 0.379 4.725 4.350 -0.007 0.000 0.253 676 T C 2.381 176.986 174.700 -0.158 0.000 0.939 676 T CA 1.264 63.308 62.100 -0.094 0.000 0.910 676 T CB 0.293 69.099 68.868 -0.105 0.000 1.226 676 T HN 1.894 nan 8.240 nan 0.000 0.508 677 G N 3.149 111.883 108.800 -0.110 0.000 2.442 677 G HA2 -0.275 3.681 3.960 -0.007 0.000 0.219 677 G HA3 -0.275 3.681 3.960 -0.007 0.000 0.219 677 G C 1.465 176.414 174.900 0.082 0.000 1.141 677 G CA 1.197 46.251 45.100 -0.076 0.000 0.763 677 G HN 0.831 nan 8.290 nan 0.000 0.554 678 N N 0.170 118.900 118.700 0.051 0.000 2.094 678 N HA -0.161 4.575 4.740 -0.007 0.000 0.191 678 N C 2.217 177.732 175.510 0.007 0.000 1.023 678 N CA 1.408 54.491 53.050 0.054 0.000 0.857 678 N CB -0.368 38.102 38.487 -0.029 0.000 1.013 678 N HN 0.354 nan 8.380 nan 0.000 0.426 679 M N 0.758 120.293 119.600 -0.108 0.000 2.175 679 M HA -0.026 4.450 4.480 -0.007 0.000 0.264 679 M C 1.983 178.235 176.300 -0.081 0.000 1.063 679 M CA 1.422 56.638 55.300 -0.140 0.000 1.119 679 M CB -0.090 32.433 32.600 -0.128 0.000 1.377 679 M HN 0.117 nan 8.290 nan 0.000 0.415 680 K N 0.071 120.355 120.400 -0.194 0.000 2.057 680 K HA -0.104 4.212 4.320 -0.007 0.000 0.207 680 K C 1.705 178.193 176.600 -0.188 0.000 1.049 680 K CA 1.362 57.471 56.287 -0.296 0.000 0.931 680 K CB -0.281 31.810 32.500 -0.681 0.000 0.714 680 K HN 0.155 nan 8.250 nan 0.000 0.440 681 F N 1.116 121.001 119.950 -0.108 0.000 2.186 681 F HA -0.105 4.417 4.527 -0.008 0.000 0.299 681 F C 2.532 178.311 175.800 -0.035 0.000 1.090 681 F CA 1.148 59.109 58.000 -0.065 0.000 1.307 681 F CB -0.271 38.679 39.000 -0.084 0.000 1.019 681 F HN -0.004 nan 8.300 nan 0.000 0.489 682 M N -0.535 119.154 119.600 0.148 0.000 2.175 682 M HA -0.169 4.306 4.480 -0.007 0.000 0.264 682 M C 2.017 178.378 176.300 0.101 0.000 1.063 682 M CA 1.498 56.860 55.300 0.103 0.000 1.119 682 M CB -0.182 32.471 32.600 0.088 0.000 1.377 682 M HN 0.253 nan 8.290 nan 0.000 0.415 683 L N 0.663 121.942 121.223 0.093 0.000 2.376 683 L HA -0.030 4.306 4.340 -0.007 0.000 0.219 683 L C 1.162 178.084 176.870 0.085 0.000 1.133 683 L CA 1.468 56.370 54.840 0.103 0.000 0.816 683 L CB -0.525 41.606 42.059 0.120 0.000 0.933 683 L HN 0.327 nan 8.230 nan 0.000 0.449 684 N N -0.149 118.592 118.700 0.069 0.000 2.238 684 N HA 0.180 4.916 4.740 -0.007 0.000 0.222 684 N C 0.817 176.369 175.510 0.070 0.000 1.133 684 N CA 0.757 53.841 53.050 0.058 0.000 0.854 684 N CB 0.577 39.077 38.487 0.021 0.000 1.041 684 N HN 0.377 nan 8.380 nan 0.000 0.510 685 G N 0.618 109.464 108.800 0.077 0.000 2.149 685 G HA2 -0.208 3.747 3.960 -0.007 0.000 0.235 685 G HA3 -0.208 3.747 3.960 -0.007 0.000 0.235 685 G C -0.021 174.955 174.900 0.125 0.000 1.018 685 G CA 0.185 45.333 45.100 0.080 0.000 0.728 685 G HN 0.522 nan 8.290 nan 0.000 0.508 686 A N -0.337 122.567 122.820 0.139 0.000 2.340 686 A HA 0.880 5.196 4.320 -0.007 0.000 0.331 686 A C 0.344 177.945 177.584 0.029 0.000 1.140 686 A CA -0.656 51.483 52.037 0.169 0.000 0.801 686 A CB 1.123 20.280 19.000 0.262 0.000 1.234 686 A HN 0.680 nan 8.150 nan 0.000 0.469 687 L N 0.860 122.069 121.223 -0.024 0.000 2.421 687 L HA 0.445 4.781 4.340 -0.007 0.000 0.263 687 L C 0.172 176.917 176.870 -0.208 0.000 1.122 687 L CA -0.320 54.396 54.840 -0.207 0.000 0.804 687 L CB 1.574 43.419 42.059 -0.357 0.000 1.150 687 L HN 0.704 nan 8.230 nan 0.000 0.457 688 T N 2.894 117.185 114.554 -0.439 0.000 2.779 688 T HA 0.459 4.805 4.350 -0.007 0.000 0.280 688 T C -0.425 174.109 174.700 -0.278 0.000 0.987 688 T CA -0.253 61.553 62.100 -0.489 0.000 0.966 688 T CB 1.497 69.849 68.868 -0.859 0.000 0.933 688 T HN 0.360 nan 8.240 nan 0.000 0.442 689 I N 2.985 123.505 120.570 -0.083 0.000 2.355 689 I HA 0.729 4.895 4.170 -0.007 0.000 0.288 689 I C 0.045 176.291 176.117 0.215 0.000 0.999 689 I CA 0.063 61.433 61.300 0.117 0.000 1.163 689 I CB 0.302 38.311 38.000 0.015 0.000 1.316 689 I HN 0.788 nan 8.210 nan 0.000 0.454 690 G N 3.971 112.981 108.800 0.350 0.000 2.559 690 G HA2 0.447 4.403 3.960 -0.007 0.000 0.291 690 G HA3 0.447 4.403 3.960 -0.007 0.000 0.291 690 G C -0.920 173.932 174.900 -0.080 0.000 1.424 690 G CA -0.340 44.897 45.100 0.228 0.000 0.786 690 G HN 0.579 nan 8.290 nan 0.000 0.485 691 T N -1.552 112.825 114.554 -0.296 0.000 2.847 691 T HA 0.532 4.877 4.350 -0.007 0.000 0.279 691 T C 0.665 175.261 174.700 -0.174 0.000 0.984 691 T CA -0.675 61.169 62.100 -0.428 0.000 0.988 691 T CB 1.158 69.783 68.868 -0.405 0.000 1.040 691 T HN 0.257 nan 8.240 nan 0.000 0.528 692 M N 2.862 122.367 119.600 -0.158 0.000 3.237 692 M HA 0.342 4.818 4.480 -0.007 0.000 0.266 692 M C -0.484 175.769 176.300 -0.078 0.000 1.456 692 M CA -0.109 55.135 55.300 -0.093 0.000 1.593 692 M CB -1.642 30.909 32.600 -0.082 0.000 1.129 692 M HN 0.739 nan 8.290 nan 0.000 0.547 693 D N -0.004 120.357 120.400 -0.065 0.000 2.601 693 D HA 0.681 5.316 4.640 -0.007 0.000 0.230 693 D C 0.710 176.993 176.300 -0.029 0.000 1.106 693 D CA 0.699 54.673 54.000 -0.044 0.000 0.873 693 D CB 1.767 42.540 40.800 -0.044 0.000 1.515 693 D HN 0.601 nan 8.370 nan 0.000 0.468 694 G N 1.620 110.410 108.800 -0.016 0.000 2.627 694 G HA2 -0.259 3.697 3.960 -0.007 0.000 0.312 694 G HA3 -0.259 3.697 3.960 -0.007 0.000 0.312 694 G C 1.065 175.962 174.900 -0.005 0.000 1.299 694 G CA 1.202 46.297 45.100 -0.008 0.000 0.989 694 G HN 1.079 nan 8.290 nan 0.000 0.547 695 A N -0.404 122.410 122.820 -0.010 0.000 2.168 695 A HA 0.059 4.375 4.320 -0.007 0.000 0.215 695 A C 2.133 179.666 177.584 -0.085 0.000 1.152 695 A CA 1.946 53.974 52.037 -0.015 0.000 0.716 695 A CB -0.476 18.503 19.000 -0.035 0.000 0.794 695 A HN 0.635 nan 8.150 nan 0.000 0.465 696 N N 0.517 119.175 118.700 -0.071 0.000 2.094 696 N HA -0.157 4.579 4.740 -0.007 0.000 0.191 696 N C 1.592 177.000 175.510 -0.171 0.000 1.023 696 N CA 1.630 54.640 53.050 -0.067 0.000 0.857 696 N CB -0.651 37.845 38.487 0.015 0.000 1.013 696 N HN 0.286 nan 8.380 nan 0.000 0.426 697 V N 1.270 121.118 119.914 -0.109 0.000 2.287 697 V HA -0.219 3.896 4.120 -0.007 0.000 0.248 697 V C 1.979 178.003 176.094 -0.118 0.000 1.053 697 V CA 1.702 63.932 62.300 -0.116 0.000 1.027 697 V CB -0.499 31.287 31.823 -0.061 0.000 0.646 697 V HN 0.365 nan 8.190 nan 0.000 0.447 698 E N -0.624 119.558 120.200 -0.030 0.000 2.152 698 E HA -0.141 4.205 4.350 -0.007 0.000 0.192 698 E C 2.208 178.899 176.600 0.153 0.000 0.983 698 E CA 1.081 57.532 56.400 0.085 0.000 0.818 698 E CB -0.175 29.662 29.700 0.227 0.000 0.758 698 E HN 0.552 nan 8.360 nan 0.000 0.467 699 M N 0.368 119.946 119.600 -0.037 0.000 2.132 699 M HA -0.110 4.366 4.480 -0.007 0.000 0.263 699 M C 2.471 178.480 176.300 -0.486 0.000 1.065 699 M CA 1.439 56.637 55.300 -0.169 0.000 1.122 699 M CB -0.126 32.258 32.600 -0.361 0.000 1.365 699 M HN 0.123 nan 8.290 nan 0.000 0.411 700 A N -0.139 122.131 122.820 -0.917 0.000 1.930 700 A HA -0.204 4.112 4.320 -0.007 0.000 0.217 700 A C 1.990 179.352 177.584 -0.370 0.000 1.175 700 A CA 1.863 53.316 52.037 -0.974 0.000 0.627 700 A CB -0.755 17.759 19.000 -0.811 0.000 0.815 700 A HN 0.574 nan 8.150 nan 0.000 0.443 701 E N -0.382 119.681 120.200 -0.228 0.000 2.077 701 E HA -0.204 4.141 4.350 -0.007 0.000 0.193 701 E C 1.763 178.322 176.600 -0.068 0.000 0.989 701 E CA 1.213 57.547 56.400 -0.111 0.000 0.800 701 E CB -0.047 29.611 29.700 -0.069 0.000 0.746 701 E HN 0.557 nan 8.360 nan 0.000 0.452 702 E N -0.002 120.180 120.200 -0.030 0.000 2.072 702 E HA -0.113 4.233 4.350 -0.007 0.000 0.190 702 E C 1.809 178.416 176.600 0.012 0.000 0.982 702 E CA 1.094 57.501 56.400 0.010 0.000 0.803 702 E CB -0.099 29.656 29.700 0.092 0.000 0.755 702 E HN 0.341 nan 8.360 nan 0.000 0.453 703 A N 0.369 123.193 122.820 0.007 0.000 2.132 703 A HA 0.359 4.675 4.320 -0.007 0.000 0.213 703 A C 1.013 178.599 177.584 0.003 0.000 1.154 703 A CA 1.017 53.076 52.037 0.037 0.000 0.753 703 A CB 0.103 19.178 19.000 0.125 0.000 0.826 703 A HN 0.239 nan 8.150 nan 0.000 0.469 704 G N -0.426 108.348 108.800 -0.043 0.000 3.067 704 G HA2 -0.088 3.868 3.960 -0.007 0.000 0.686 704 G HA3 -0.088 3.868 3.960 -0.007 0.000 0.686 704 G C -0.026 174.845 174.900 -0.049 0.000 1.119 704 G CA -0.018 45.056 45.100 -0.044 0.000 0.790 704 G HN 0.248 nan 8.290 nan 0.000 0.605 705 E N 0.674 120.838 120.200 -0.061 0.000 2.160 705 E HA -0.198 4.148 4.350 -0.007 0.000 0.195 705 E C 2.281 178.865 176.600 -0.027 0.000 0.991 705 E CA 1.350 57.724 56.400 -0.042 0.000 0.810 705 E CB 0.086 29.762 29.700 -0.040 0.000 0.742 705 E HN 0.793 nan 8.360 nan 0.000 0.466 706 E N 0.938 121.111 120.200 -0.046 0.000 2.409 706 E HA -0.147 4.199 4.350 -0.007 0.000 0.198 706 E C 0.799 177.312 176.600 -0.145 0.000 1.024 706 E CA 0.718 57.071 56.400 -0.079 0.000 0.861 706 E CB -0.097 29.569 29.700 -0.056 0.000 0.788 706 E HN 0.192 nan 8.360 nan 0.000 0.521 707 N N -0.262 118.379 118.700 -0.098 0.000 2.238 707 N HA 0.155 4.891 4.740 -0.007 0.000 0.222 707 N C -1.073 174.363 175.510 -0.123 0.000 1.133 707 N CA 0.020 52.987 53.050 -0.138 0.000 0.854 707 N CB 0.253 38.716 38.487 -0.040 0.000 1.041 707 N HN 0.029 nan 8.380 nan 0.000 0.510 708 F N -0.410 119.313 119.950 -0.378 0.000 2.588 708 F HA 0.423 4.945 4.527 -0.008 0.000 0.314 708 F C -0.721 174.826 175.800 -0.422 0.000 1.069 708 F CA -1.176 56.633 58.000 -0.319 0.000 0.931 708 F CB 1.287 40.202 39.000 -0.141 0.000 1.260 708 F HN -0.225 nan 8.300 nan 0.000 0.465 709 F N 5.049 124.985 119.950 -0.023 0.000 2.318 709 F HA 0.373 4.896 4.527 -0.007 0.000 0.356 709 F C -0.243 175.670 175.800 0.189 0.000 1.109 709 F CA -0.624 57.402 58.000 0.044 0.000 1.234 709 F CB -0.123 38.848 39.000 -0.048 0.000 1.545 709 F HN -0.014 nan 8.300 nan 0.000 0.534 710 I N 3.653 124.419 120.570 0.327 0.000 2.472 710 I HA 0.363 4.528 4.170 -0.007 0.000 0.290 710 I C -0.023 176.286 176.117 0.321 0.000 1.016 710 I CA -0.597 60.870 61.300 0.278 0.000 1.348 710 I CB 0.645 38.737 38.000 0.152 0.000 1.417 710 I HN 0.355 nan 8.210 nan 0.000 0.521 711 F N 2.102 122.116 119.950 0.107 0.000 2.779 711 F HA 0.824 5.346 4.527 -0.008 0.000 0.316 711 F C -0.021 175.820 175.800 0.068 0.000 1.164 711 F CA -0.465 57.590 58.000 0.090 0.000 0.924 711 F CB 0.955 40.020 39.000 0.109 0.000 1.348 711 F HN 0.822 nan 8.300 nan 0.000 0.467 712 G N 0.933 109.768 108.800 0.058 0.000 2.828 712 G HA2 -0.097 3.859 3.960 -0.007 0.000 0.463 712 G HA3 -0.097 3.859 3.960 -0.007 0.000 0.463 712 G C -0.755 174.103 174.900 -0.070 0.000 1.394 712 G CA -0.519 44.546 45.100 -0.059 0.000 0.862 712 G HN 0.964 nan 8.290 nan 0.000 0.540 713 M N 0.661 120.238 119.600 -0.038 0.000 2.252 713 M HA 0.236 4.712 4.480 -0.007 0.000 0.333 713 M C 1.205 177.469 176.300 -0.060 0.000 1.111 713 M CA 0.148 55.436 55.300 -0.021 0.000 1.140 713 M CB 0.271 32.869 32.600 -0.003 0.000 1.538 713 M HN 0.524 nan 8.290 nan 0.000 0.448 714 R N 1.332 121.811 120.500 -0.034 0.000 2.608 714 R HA 0.321 4.657 4.340 -0.007 0.000 0.255 714 R C 1.189 177.471 176.300 -0.031 0.000 1.086 714 R CA -0.610 55.465 56.100 -0.041 0.000 1.125 714 R CB 0.194 30.478 30.300 -0.027 0.000 1.193 714 R HN 0.569 nan 8.270 nan 0.000 0.553 715 V N 1.563 121.458 119.914 -0.031 0.000 2.324 715 V HA -0.278 3.837 4.120 -0.007 0.000 0.250 715 V C 1.811 177.896 176.094 -0.015 0.000 1.060 715 V CA 2.034 64.320 62.300 -0.024 0.000 1.042 715 V CB -0.437 31.371 31.823 -0.026 0.000 0.650 715 V HN 0.621 nan 8.190 nan 0.000 0.450 716 E N 0.090 120.283 120.200 -0.012 0.000 2.110 716 E HA -0.186 4.159 4.350 -0.007 0.000 0.193 716 E C 1.956 178.560 176.600 0.007 0.000 0.988 716 E CA 1.354 57.752 56.400 -0.003 0.000 0.804 716 E CB -0.419 29.280 29.700 -0.002 0.000 0.745 716 E HN 0.614 nan 8.360 nan 0.000 0.458 717 D N -0.236 120.170 120.400 0.009 0.000 2.144 717 D HA -0.092 4.544 4.640 -0.007 0.000 0.200 717 D C 1.940 178.255 176.300 0.026 0.000 0.978 717 D CA 0.803 54.818 54.000 0.025 0.000 0.833 717 D CB -0.030 40.787 40.800 0.029 0.000 0.961 717 D HN 0.068 nan 8.370 nan 0.000 0.470 718 V N 1.815 121.733 119.914 0.006 0.000 2.358 718 V HA -0.191 3.925 4.120 -0.007 0.000 0.246 718 V C 1.973 178.069 176.094 0.003 0.000 1.047 718 V CA 1.552 63.848 62.300 -0.006 0.000 1.035 718 V CB -0.349 31.461 31.823 -0.021 0.000 0.658 718 V HN 0.057 nan 8.190 nan 0.000 0.452 719 D N 0.074 120.476 120.400 0.004 0.000 2.097 719 D HA -0.145 4.491 4.640 -0.007 0.000 0.195 719 D C 2.407 178.721 176.300 0.023 0.000 0.989 719 D CA 1.222 55.227 54.000 0.008 0.000 0.827 719 D CB -0.228 40.573 40.800 0.002 0.000 0.966 719 D HN 0.379 nan 8.370 nan 0.000 0.456 720 R N 0.336 120.854 120.500 0.030 0.000 2.091 720 R HA -0.064 4.271 4.340 -0.007 0.000 0.238 720 R C 2.568 178.906 176.300 0.063 0.000 1.136 720 R CA 0.587 56.712 56.100 0.043 0.000 0.959 720 R CB -0.421 29.907 30.300 0.046 0.000 0.856 720 R HN 0.194 nan 8.270 nan 0.000 0.437 721 L N 0.729 121.998 121.223 0.077 0.000 2.046 721 L HA -0.220 4.116 4.340 -0.007 0.000 0.208 721 L C 1.561 178.498 176.870 0.112 0.000 1.077 721 L CA 1.368 56.281 54.840 0.120 0.000 0.747 721 L CB -0.302 41.840 42.059 0.138 0.000 0.896 721 L HN 0.258 nan 8.230 nan 0.000 0.432 722 D N -0.850 119.590 120.400 0.067 0.000 2.144 722 D HA -0.171 4.465 4.640 -0.007 0.000 0.200 722 D C 2.274 178.607 176.300 0.055 0.000 0.978 722 D CA 0.817 54.851 54.000 0.056 0.000 0.833 722 D CB -0.023 40.790 40.800 0.021 0.000 0.961 722 D HN 0.359 nan 8.370 nan 0.000 0.470 723 Q N 0.559 120.388 119.800 0.047 0.000 2.030 723 Q HA -0.137 4.198 4.340 -0.007 0.000 0.204 723 Q C 2.244 178.273 176.000 0.049 0.000 0.986 723 Q CA 0.930 56.757 55.803 0.040 0.000 0.843 723 Q CB -0.458 28.300 28.738 0.034 0.000 0.904 723 Q HN 0.323 nan 8.270 nan 0.000 0.420 724 R N 0.235 120.772 120.500 0.062 0.000 2.092 724 R HA -0.020 4.316 4.340 -0.007 0.000 0.231 724 R C -0.049 176.296 176.300 0.075 0.000 1.119 724 R CA 1.189 57.328 56.100 0.065 0.000 0.970 724 R CB 0.069 30.415 30.300 0.076 0.000 0.864 724 R HN 0.354 nan 8.270 nan 0.000 0.440 725 G N 0.092 108.952 108.800 0.101 0.000 3.444 725 G HA2 -0.238 3.718 3.960 -0.007 0.000 0.685 725 G HA3 -0.238 3.718 3.960 -0.007 0.000 0.685 725 G C -1.370 173.633 174.900 0.171 0.000 1.145 725 G CA -0.345 44.823 45.100 0.114 0.000 0.973 725 G HN 0.305 nan 8.290 nan 0.000 0.525 726 Y N 3.766 124.105 120.300 0.065 0.000 2.436 726 Y HA 0.542 5.088 4.550 -0.007 0.000 0.336 726 Y C 0.363 176.327 175.900 0.106 0.000 1.049 726 Y CA -0.841 57.316 58.100 0.095 0.000 1.294 726 Y CB 0.926 39.418 38.460 0.054 0.000 1.179 726 Y HN 0.558 nan 8.280 nan 0.000 0.520 727 N N 5.306 123.798 118.700 -0.346 0.000 2.626 727 N HA 0.257 4.993 4.740 -0.007 0.000 0.249 727 N C 0.248 175.531 175.510 -0.379 0.000 1.021 727 N CA 0.388 53.252 53.050 -0.310 0.000 0.886 727 N CB 1.479 39.913 38.487 -0.087 0.000 1.149 727 N HN 0.885 nan 8.380 nan 0.000 0.517 728 A N 2.979 125.448 122.820 -0.584 0.000 1.940 728 A HA -0.239 4.077 4.320 -0.007 0.000 0.219 728 A C 1.928 179.646 177.584 0.224 0.000 1.176 728 A CA 1.600 53.525 52.037 -0.187 0.000 0.631 728 A CB -0.391 18.425 19.000 -0.306 0.000 0.814 728 A HN 0.735 nan 8.150 nan 0.000 0.446 729 Q N 0.179 120.014 119.800 0.058 0.000 2.152 729 Q HA -0.251 4.085 4.340 -0.007 0.000 0.206 729 Q C 1.895 177.988 176.000 0.156 0.000 0.985 729 Q CA 2.407 58.266 55.803 0.092 0.000 0.863 729 Q CB -0.393 28.353 28.738 0.014 0.000 0.904 729 Q HN 0.787 nan 8.270 nan 0.000 0.422 730 E N -1.448 118.798 120.200 0.076 0.000 2.058 730 E HA -0.243 4.103 4.350 -0.007 0.000 0.194 730 E C 1.580 178.144 176.600 -0.059 0.000 0.997 730 E CA 1.498 57.875 56.400 -0.039 0.000 0.801 730 E CB -0.238 29.353 29.700 -0.181 0.000 0.746 730 E HN 0.594 nan 8.360 nan 0.000 0.450 731 Y N -1.109 119.260 120.300 0.116 0.000 2.242 731 Y HA -0.193 4.353 4.550 -0.007 0.000 0.291 731 Y C 2.189 178.089 175.900 -0.001 0.000 1.137 731 Y CA 1.486 59.640 58.100 0.090 0.000 1.181 731 Y CB -0.647 37.921 38.460 0.180 0.000 0.989 731 Y HN 0.246 nan 8.280 nan 0.000 0.527 732 Y N 1.185 121.523 120.300 0.063 0.000 2.224 732 Y HA -0.233 4.313 4.550 -0.007 0.000 0.289 732 Y C 1.732 177.600 175.900 -0.054 0.000 1.146 732 Y CA 1.723 59.778 58.100 -0.075 0.000 1.182 732 Y CB -0.318 38.156 38.460 0.024 0.000 0.983 732 Y HN 0.077 nan 8.280 nan 0.000 0.524 733 D N -0.277 120.228 120.400 0.175 0.000 2.234 733 D HA -0.062 4.574 4.640 -0.007 0.000 0.205 733 D C 1.671 177.950 176.300 -0.034 0.000 0.962 733 D CA 1.022 55.065 54.000 0.071 0.000 0.855 733 D CB -0.069 40.791 40.800 0.099 0.000 0.951 733 D HN 0.482 nan 8.370 nan 0.000 0.500 734 R N -0.068 120.407 120.500 -0.041 0.000 2.362 734 R HA 0.298 4.633 4.340 -0.007 0.000 0.227 734 R C 0.357 176.628 176.300 -0.048 0.000 0.905 734 R CA 0.072 56.143 56.100 -0.049 0.000 1.067 734 R CB 1.216 31.482 30.300 -0.056 0.000 1.078 734 R HN 0.122 nan 8.270 nan 0.000 0.516 735 I N 1.837 122.357 120.570 -0.084 0.000 2.495 735 I HA 0.222 4.387 4.170 -0.007 0.000 0.277 735 I C -1.986 174.031 176.117 -0.165 0.000 1.045 735 I CA -2.320 58.934 61.300 -0.076 0.000 1.135 735 I CB 2.182 40.164 38.000 -0.030 0.000 1.241 735 I HN -0.300 nan 8.210 nan 0.000 0.469 736 P HA -0.203 nan 4.420 nan 0.000 0.216 736 P C 1.197 178.399 177.300 -0.163 0.000 1.157 736 P CA 1.541 64.549 63.100 -0.153 0.000 0.880 736 P CB 0.301 31.945 31.700 -0.095 0.000 0.791 737 E N -1.126 119.014 120.200 -0.099 0.000 2.110 737 E HA -0.175 4.171 4.350 -0.007 0.000 0.193 737 E C 1.896 178.394 176.600 -0.170 0.000 0.988 737 E CA 0.750 57.105 56.400 -0.075 0.000 0.804 737 E CB -0.619 29.106 29.700 0.041 0.000 0.745 737 E HN 0.130 nan 8.360 nan 0.000 0.458 738 L N 1.299 122.334 121.223 -0.313 0.000 2.056 738 L HA -0.127 4.208 4.340 -0.007 0.000 0.207 738 L C 2.374 178.964 176.870 -0.467 0.000 1.078 738 L CA 1.623 56.108 54.840 -0.591 0.000 0.749 738 L CB -0.306 41.240 42.059 -0.856 0.000 0.901 738 L HN -0.089 nan 8.230 nan 0.000 0.433 739 R N -0.756 119.444 120.500 -0.501 0.000 2.105 739 R HA -0.247 4.089 4.340 -0.007 0.000 0.239 739 R C 2.366 178.484 176.300 -0.303 0.000 1.135 739 R CA 1.947 57.664 56.100 -0.640 0.000 0.967 739 R CB -0.315 29.525 30.300 -0.765 0.000 0.861 739 R HN 0.657 nan 8.270 nan 0.000 0.442 740 Q N 0.511 120.175 119.800 -0.227 0.000 2.084 740 Q HA -0.172 4.163 4.340 -0.007 0.000 0.202 740 Q C 2.058 177.996 176.000 -0.104 0.000 0.978 740 Q CA 1.903 57.620 55.803 -0.144 0.000 0.844 740 Q CB -0.124 28.533 28.738 -0.135 0.000 0.898 740 Q HN 0.468 nan 8.270 nan 0.000 0.426 741 I N 0.252 120.757 120.570 -0.108 0.000 2.127 741 I HA -0.293 3.873 4.170 -0.007 0.000 0.241 741 I C 2.099 178.228 176.117 0.021 0.000 1.075 741 I CA 0.890 62.165 61.300 -0.042 0.000 1.334 741 I CB -0.294 37.659 38.000 -0.078 0.000 1.040 741 I HN 0.263 nan 8.210 nan 0.000 0.405 742 I N 0.850 121.432 120.570 0.019 0.000 2.264 742 I HA -0.273 3.893 4.170 -0.007 0.000 0.248 742 I C 2.421 178.630 176.117 0.153 0.000 1.111 742 I CA 1.622 63.004 61.300 0.136 0.000 1.382 742 I CB -0.589 37.581 38.000 0.283 0.000 1.060 742 I HN 0.224 nan 8.210 nan 0.000 0.418 743 E N -0.341 119.927 120.200 0.114 0.000 2.208 743 E HA -0.214 4.132 4.350 -0.007 0.000 0.193 743 E C 2.131 178.788 176.600 0.094 0.000 0.988 743 E CA 0.705 57.170 56.400 0.107 0.000 0.828 743 E CB -0.142 29.597 29.700 0.065 0.000 0.763 743 E HN 0.611 nan 8.360 nan 0.000 0.478 744 Q N 0.495 120.332 119.800 0.063 0.000 2.079 744 Q HA -0.091 4.245 4.340 -0.007 0.000 0.200 744 Q C 2.349 178.503 176.000 0.256 0.000 0.974 744 Q CA 0.879 56.720 55.803 0.063 0.000 0.840 744 Q CB -0.004 28.659 28.738 -0.125 0.000 0.898 744 Q HN 0.294 nan 8.270 nan 0.000 0.430 745 L N 0.069 121.462 121.223 0.284 0.000 2.017 745 L HA -0.194 4.142 4.340 -0.007 0.000 0.208 745 L C 2.464 179.511 176.870 0.296 0.000 1.073 745 L CA 1.018 56.055 54.840 0.328 0.000 0.745 745 L CB -0.413 41.760 42.059 0.190 0.000 0.894 745 L HN 0.146 nan 8.230 nan 0.000 0.432 746 S N -0.179 115.649 115.700 0.214 0.000 2.368 746 S HA -0.163 4.302 4.470 -0.007 0.000 0.225 746 S C 2.095 176.793 174.600 0.162 0.000 1.030 746 S CA 1.575 59.882 58.200 0.177 0.000 0.999 746 S CB -0.282 63.004 63.200 0.142 0.000 0.844 746 S HN 0.611 nan 8.310 nan 0.000 0.459 747 S N 0.522 116.317 115.700 0.159 0.000 2.515 747 S HA 0.257 4.723 4.470 -0.007 0.000 0.231 747 S C 1.479 176.164 174.600 0.141 0.000 0.987 747 S CA 0.815 59.096 58.200 0.135 0.000 0.936 747 S CB -0.247 63.027 63.200 0.124 0.000 0.766 747 S HN 0.866 nan 8.310 nan 0.000 0.528 748 G N 0.451 109.367 108.800 0.192 0.000 2.134 748 G HA2 -0.281 3.674 3.960 -0.007 0.000 0.209 748 G HA3 -0.281 3.674 3.960 -0.007 0.000 0.209 748 G C 0.195 175.183 174.900 0.146 0.000 0.993 748 G CA 0.118 45.321 45.100 0.172 0.000 0.669 748 G HN 0.527 nan 8.290 nan 0.000 0.519 749 F N 0.378 120.323 119.950 -0.008 0.000 2.202 749 F HA 0.193 4.716 4.527 -0.007 0.000 0.301 749 F C 1.786 177.386 175.800 -0.333 0.000 1.082 749 F CA 1.865 59.738 58.000 -0.212 0.000 1.313 749 F CB -0.056 38.730 39.000 -0.356 0.000 1.024 749 F HN 0.165 nan 8.300 nan 0.000 0.495 750 F N -0.328 119.792 119.950 0.283 0.000 2.664 750 F HA 0.219 4.742 4.527 -0.007 0.000 0.303 750 F C 0.609 176.530 175.800 0.201 0.000 1.092 750 F CA 0.252 58.370 58.000 0.195 0.000 1.305 750 F CB -0.120 38.990 39.000 0.184 0.000 1.054 750 F HN -0.011 nan 8.300 nan 0.000 0.565 751 S N -2.066 113.789 115.700 0.259 0.000 2.680 751 S HA 0.314 4.779 4.470 -0.007 0.000 0.140 751 S C -2.496 172.129 174.600 0.041 0.000 1.357 751 S CA -0.994 57.287 58.200 0.135 0.000 1.201 751 S CB 0.896 64.144 63.200 0.079 0.000 1.547 751 S HN -0.186 nan 8.310 nan 0.000 0.411 752 P HA -0.151 nan 4.420 nan 0.000 0.214 752 P C 1.231 178.519 177.300 -0.019 0.000 1.163 752 P CA 1.552 64.628 63.100 -0.039 0.000 0.889 752 P CB 0.076 31.728 31.700 -0.080 0.000 0.790 753 K N -1.074 119.316 120.400 -0.018 0.000 2.283 753 K HA -0.071 4.245 4.320 -0.007 0.000 0.202 753 K C 0.675 177.272 176.600 -0.005 0.000 1.048 753 K CA 0.930 57.211 56.287 -0.011 0.000 0.948 753 K CB -0.126 32.369 32.500 -0.008 0.000 0.742 753 K HN 0.361 nan 8.250 nan 0.000 0.458 754 Q N -0.250 119.546 119.800 -0.008 0.000 2.798 754 Q HA 0.151 4.487 4.340 -0.007 0.000 0.250 754 Q C -2.365 173.628 176.000 -0.011 0.000 1.006 754 Q CA -1.649 54.145 55.803 -0.015 0.000 0.759 754 Q CB 1.619 30.338 28.738 -0.032 0.000 1.201 754 Q HN -0.089 nan 8.270 nan 0.000 0.486 755 P HA -0.225 nan 4.420 nan 0.000 0.216 755 P C 0.583 177.920 177.300 0.061 0.000 1.150 755 P CA 1.509 64.637 63.100 0.046 0.000 0.843 755 P CB 0.212 31.937 31.700 0.042 0.000 0.787 756 D N -1.397 119.024 120.400 0.034 0.000 2.388 756 D HA 0.000 4.636 4.640 -0.007 0.000 0.221 756 D C 1.517 177.818 176.300 0.002 0.000 1.133 756 D CA -0.280 53.748 54.000 0.047 0.000 0.831 756 D CB -0.809 40.020 40.800 0.047 0.000 0.962 756 D HN 0.025 nan 8.370 nan 0.000 0.502 757 L N -0.177 120.985 121.223 -0.101 0.000 2.081 757 L HA -0.041 4.295 4.340 -0.007 0.000 0.212 757 L C 0.998 177.646 176.870 -0.369 0.000 1.080 757 L CA 1.671 56.332 54.840 -0.298 0.000 0.754 757 L CB -0.593 41.114 42.059 -0.587 0.000 0.893 757 L HN 0.000 nan 8.230 nan 0.000 0.433 758 F N -0.399 119.604 119.950 0.088 0.000 2.730 758 F HA 0.159 4.682 4.527 -0.007 0.000 0.295 758 F C 1.807 177.655 175.800 0.080 0.000 1.143 758 F CA -0.177 57.865 58.000 0.070 0.000 1.367 758 F CB -0.337 38.693 39.000 0.049 0.000 0.970 758 F HN 0.111 nan 8.300 nan 0.000 0.514 759 K N -0.366 120.147 120.400 0.188 0.000 2.097 759 K HA -0.165 4.150 4.320 -0.007 0.000 0.206 759 K C 0.927 177.623 176.600 0.160 0.000 1.049 759 K CA 1.882 58.263 56.287 0.157 0.000 0.933 759 K CB -0.234 32.336 32.500 0.116 0.000 0.717 759 K HN 0.124 nan 8.250 nan 0.000 0.442 760 D N 1.282 121.792 120.400 0.184 0.000 2.178 760 D HA -0.074 4.561 4.640 -0.007 0.000 0.202 760 D C 2.082 178.482 176.300 0.166 0.000 0.974 760 D CA 1.046 55.167 54.000 0.201 0.000 0.841 760 D CB -0.067 40.899 40.800 0.277 0.000 0.953 760 D HN 0.322 nan 8.370 nan 0.000 0.478 761 I N 0.662 121.331 120.570 0.166 0.000 2.202 761 I HA -0.209 3.957 4.170 -0.007 0.000 0.242 761 I C 2.471 178.613 176.117 0.042 0.000 1.091 761 I CA 0.617 61.977 61.300 0.100 0.000 1.368 761 I CB -0.165 37.899 38.000 0.107 0.000 1.058 761 I HN -0.129 nan 8.210 nan 0.000 0.410 762 V N 0.967 120.928 119.914 0.078 0.000 2.343 762 V HA -0.327 3.789 4.120 -0.007 0.000 0.247 762 V C 2.165 178.230 176.094 -0.048 0.000 1.051 762 V CA 2.440 64.765 62.300 0.040 0.000 1.036 762 V CB -1.040 30.836 31.823 0.089 0.000 0.654 762 V HN 0.525 nan 8.190 nan 0.000 0.451 763 N N -0.535 118.167 118.700 0.004 0.000 2.104 763 N HA -0.243 4.492 4.740 -0.007 0.000 0.190 763 N C 2.026 177.404 175.510 -0.220 0.000 1.024 763 N CA 1.517 54.574 53.050 0.012 0.000 0.853 763 N CB -0.126 38.456 38.487 0.159 0.000 1.008 763 N HN 0.345 nan 8.380 nan 0.000 0.424 764 M N 0.674 120.097 119.600 -0.295 0.000 2.067 764 M HA -0.134 4.342 4.480 -0.007 0.000 0.260 764 M C 1.674 177.680 176.300 -0.491 0.000 1.069 764 M CA 1.296 56.187 55.300 -0.681 0.000 1.117 764 M CB -0.694 31.785 32.600 -0.201 0.000 1.334 764 M HN 0.214 nan 8.290 nan 0.000 0.407 765 L N 0.575 121.600 121.223 -0.331 0.000 2.042 765 L HA -0.220 4.116 4.340 -0.007 0.000 0.210 765 L C 2.456 178.957 176.870 -0.615 0.000 1.076 765 L CA 1.604 56.168 54.840 -0.460 0.000 0.749 765 L CB -1.389 40.443 42.059 -0.378 0.000 0.893 765 L HN 0.375 nan 8.230 nan 0.000 0.432 766 M N -1.901 117.397 119.600 -0.503 0.000 2.334 766 M HA -0.055 4.421 4.480 -0.007 0.000 0.266 766 M C 1.858 177.756 176.300 -0.670 0.000 1.082 766 M CA 1.323 56.260 55.300 -0.604 0.000 1.141 766 M CB -0.705 31.445 32.600 -0.751 0.000 1.380 766 M HN 0.324 nan 8.290 nan 0.000 0.440 767 H N -1.890 117.066 119.070 -0.190 0.000 3.091 767 H HA 0.186 4.738 4.556 -0.007 0.000 0.249 767 H C 0.114 175.444 175.328 0.003 0.000 0.985 767 H CA 0.648 56.648 56.048 -0.080 0.000 1.177 767 H CB 0.218 29.987 29.762 0.012 0.000 1.456 767 H HN 0.554 nan 8.280 nan 0.000 0.467 768 H N -1.313 117.807 119.070 0.084 0.000 2.823 768 H HA 0.293 4.845 4.556 -0.007 0.000 0.222 768 H C -1.263 174.082 175.328 0.028 0.000 1.414 768 H CA -0.702 55.385 56.048 0.064 0.000 1.289 768 H CB -0.079 29.725 29.762 0.069 0.000 1.970 768 H HN -0.131 nan 8.280 nan 0.000 0.517 769 D N 1.359 121.761 120.400 0.003 0.000 2.411 769 D HA 0.148 4.784 4.640 -0.007 0.000 0.225 769 D C 0.819 177.057 176.300 -0.103 0.000 1.156 769 D CA -0.490 53.492 54.000 -0.030 0.000 0.874 769 D CB 0.767 41.526 40.800 -0.069 0.000 1.034 769 D HN 0.510 nan 8.370 nan 0.000 0.502 770 R N 2.343 122.685 120.500 -0.263 0.000 2.285 770 R HA -0.032 4.304 4.340 -0.007 0.000 0.213 770 R C 0.530 176.313 176.300 -0.862 0.000 1.068 770 R CA 0.816 56.551 56.100 -0.608 0.000 1.004 770 R CB 0.108 29.872 30.300 -0.893 0.000 0.873 770 R HN 0.410 nan 8.270 nan 0.000 0.467 771 F N 0.416 120.330 119.950 -0.060 0.000 2.654 771 F HA 0.257 4.780 4.527 -0.007 0.000 0.303 771 F C 0.057 175.734 175.800 -0.206 0.000 1.099 771 F CA -0.745 57.200 58.000 -0.091 0.000 1.270 771 F CB 0.138 39.142 39.000 0.007 0.000 1.024 771 F HN -0.253 nan 8.300 nan 0.000 0.548 772 K N -0.253 119.950 120.400 -0.327 0.000 3.311 772 K HA -0.184 4.131 4.320 -0.007 0.000 0.270 772 K C 1.019 177.502 176.600 -0.195 0.000 0.927 772 K CA 0.167 56.096 56.287 -0.597 0.000 0.706 772 K CB -1.743 30.307 32.500 -0.751 0.000 1.418 772 K HN 0.214 nan 8.250 nan 0.000 0.459 773 V N 0.088 119.967 119.914 -0.058 0.000 2.287 773 V HA -0.288 3.828 4.120 -0.007 0.000 0.248 773 V C 1.964 178.201 176.094 0.239 0.000 1.053 773 V CA 2.270 64.616 62.300 0.077 0.000 1.027 773 V CB -0.492 31.381 31.823 0.082 0.000 0.646 773 V HN 0.524 nan 8.190 nan 0.000 0.447 774 F N 0.266 120.214 119.950 -0.003 0.000 2.161 774 F HA -0.219 4.304 4.527 -0.007 0.000 0.300 774 F C 2.546 178.165 175.800 -0.302 0.000 1.089 774 F CA 0.704 58.655 58.000 -0.083 0.000 1.282 774 F CB -0.420 38.528 39.000 -0.087 0.000 1.010 774 F HN 0.203 nan 8.300 nan 0.000 0.485 775 A N -0.425 122.232 122.820 -0.272 0.000 2.024 775 A HA -0.212 4.104 4.320 -0.007 0.000 0.220 775 A C 1.518 179.128 177.584 0.042 0.000 1.164 775 A CA 2.010 53.832 52.037 -0.359 0.000 0.643 775 A CB -0.487 18.408 19.000 -0.175 0.000 0.806 775 A HN 0.257 nan 8.150 nan 0.000 0.451 776 D N -2.890 117.581 120.400 0.119 0.000 2.369 776 D HA 0.080 4.716 4.640 -0.007 0.000 0.211 776 D C 1.191 177.670 176.300 0.299 0.000 1.077 776 D CA -0.024 54.115 54.000 0.232 0.000 0.842 776 D CB -0.131 40.810 40.800 0.235 0.000 0.947 776 D HN 0.584 nan 8.370 nan 0.000 0.509 777 Y N 2.145 122.544 120.300 0.164 0.000 2.053 777 Y HA -0.273 4.274 4.550 -0.007 0.000 0.277 777 Y C 2.202 178.199 175.900 0.161 0.000 1.159 777 Y CA 2.041 60.244 58.100 0.172 0.000 1.125 777 Y CB 0.131 38.655 38.460 0.107 0.000 0.969 777 Y HN -0.094 nan 8.280 nan 0.000 0.492 778 E N -0.359 119.935 120.200 0.157 0.000 2.038 778 E HA -0.239 4.107 4.350 -0.007 0.000 0.195 778 E C 2.134 178.718 176.600 -0.026 0.000 1.000 778 E CA 1.465 57.879 56.400 0.023 0.000 0.803 778 E CB -0.065 29.741 29.700 0.177 0.000 0.750 778 E HN 0.506 nan 8.360 nan 0.000 0.448 779 E N -0.094 120.166 120.200 0.101 0.000 2.110 779 E HA -0.199 4.146 4.350 -0.007 0.000 0.193 779 E C 1.833 178.438 176.600 0.009 0.000 0.988 779 E CA 0.783 57.260 56.400 0.129 0.000 0.804 779 E CB -0.385 29.484 29.700 0.281 0.000 0.745 779 E HN 0.382 nan 8.360 nan 0.000 0.458 780 Y N 1.547 121.677 120.300 -0.283 0.000 2.145 780 Y HA -0.200 4.345 4.550 -0.007 0.000 0.286 780 Y C 2.281 177.797 175.900 -0.640 0.000 1.145 780 Y CA 1.009 58.605 58.100 -0.841 0.000 1.148 780 Y CB -0.498 37.535 38.460 -0.711 0.000 0.981 780 Y HN -0.201 nan 8.280 nan 0.000 0.507 781 V N 0.498 120.079 119.914 -0.555 0.000 2.343 781 V HA -0.324 3.792 4.120 -0.007 0.000 0.247 781 V C 2.330 178.201 176.094 -0.371 0.000 1.051 781 V CA 2.402 64.388 62.300 -0.523 0.000 1.036 781 V CB -0.638 30.898 31.823 -0.480 0.000 0.654 781 V HN 0.264 nan 8.190 nan 0.000 0.451 782 K N -0.898 119.349 120.400 -0.255 0.000 2.057 782 K HA -0.194 4.121 4.320 -0.007 0.000 0.207 782 K C 2.282 178.782 176.600 -0.168 0.000 1.049 782 K CA 1.731 57.925 56.287 -0.154 0.000 0.931 782 K CB -0.663 31.796 32.500 -0.068 0.000 0.714 782 K HN 0.543 nan 8.250 nan 0.000 0.440 783 C N 1.095 120.267 119.300 -0.214 0.000 2.429 783 C HA -0.115 4.341 4.460 -0.007 0.000 0.277 783 C C 2.536 177.321 174.990 -0.342 0.000 1.262 783 C CA 0.852 59.760 59.018 -0.182 0.000 1.733 783 C CB -0.666 26.973 27.740 -0.169 0.000 2.010 783 C HN 0.465 nan 8.230 nan 0.000 0.483 784 Q N 0.391 119.860 119.800 -0.552 0.000 2.234 784 Q HA -0.173 4.162 4.340 -0.007 0.000 0.206 784 Q C 1.995 177.784 176.000 -0.352 0.000 0.980 784 Q CA 1.606 57.047 55.803 -0.604 0.000 0.869 784 Q CB -0.390 27.768 28.738 -0.966 0.000 0.912 784 Q HN 0.767 nan 8.270 nan 0.000 0.436 785 E N 0.141 120.193 120.200 -0.247 0.000 2.107 785 E HA -0.113 4.233 4.350 -0.007 0.000 0.191 785 E C 2.019 178.556 176.600 -0.105 0.000 0.982 785 E CA 0.437 56.752 56.400 -0.141 0.000 0.809 785 E CB -0.024 29.616 29.700 -0.099 0.000 0.756 785 E HN 0.277 nan 8.360 nan 0.000 0.459 786 R N 0.535 120.972 120.500 -0.104 0.000 2.148 786 R HA -0.059 4.276 4.340 -0.007 0.000 0.227 786 R C 2.346 178.598 176.300 -0.080 0.000 1.103 786 R CA 0.678 56.775 56.100 -0.005 0.000 0.983 786 R CB -0.147 30.223 30.300 0.116 0.000 0.874 786 R HN 0.053 nan 8.270 nan 0.000 0.451 787 V N 0.321 120.001 119.914 -0.389 0.000 2.323 787 V HA -0.197 3.919 4.120 -0.007 0.000 0.244 787 V C 2.114 178.176 176.094 -0.054 0.000 1.041 787 V CA 1.841 63.827 62.300 -0.524 0.000 1.025 787 V CB -0.275 31.144 31.823 -0.674 0.000 0.656 787 V HN 0.254 nan 8.190 nan 0.000 0.451 788 S N 0.221 115.861 115.700 -0.100 0.000 2.399 788 S HA -0.148 4.318 4.470 -0.007 0.000 0.231 788 S C 2.185 176.829 174.600 0.073 0.000 1.022 788 S CA 1.330 59.509 58.200 -0.036 0.000 0.983 788 S CB -0.427 62.719 63.200 -0.089 0.000 0.803 788 S HN 0.639 nan 8.310 nan 0.000 0.480 789 A N 1.313 124.177 122.820 0.075 0.000 1.902 789 A HA 0.028 4.344 4.320 -0.007 0.000 0.217 789 A C 2.087 179.782 177.584 0.184 0.000 1.181 789 A CA 1.031 53.137 52.037 0.115 0.000 0.623 789 A CB -0.671 18.386 19.000 0.095 0.000 0.818 789 A HN 0.468 nan 8.150 nan 0.000 0.443 790 L N -2.075 119.316 121.223 0.280 0.000 2.093 790 L HA -0.143 4.193 4.340 -0.007 0.000 0.208 790 L C 2.461 179.620 176.870 0.481 0.000 1.085 790 L CA 1.620 56.704 54.840 0.408 0.000 0.755 790 L CB -0.356 42.045 42.059 0.571 0.000 0.904 790 L HN 0.576 nan 8.230 nan 0.000 0.435 791 Y N 1.000 121.455 120.300 0.258 0.000 2.333 791 Y HA -0.266 4.280 4.550 -0.006 0.000 0.290 791 Y C 2.322 178.164 175.900 -0.096 0.000 1.144 791 Y CA 1.586 59.578 58.100 -0.181 0.000 1.228 791 Y CB -0.064 38.080 38.460 -0.527 0.000 0.985 791 Y HN 0.079 nan 8.280 nan 0.000 0.542 792 K N -0.174 120.272 120.400 0.077 0.000 2.442 792 K HA -0.109 4.207 4.320 -0.007 0.000 0.198 792 K C 0.394 176.986 176.600 -0.012 0.000 1.042 792 K CA 0.633 56.945 56.287 0.042 0.000 0.958 792 K CB -0.059 32.512 32.500 0.119 0.000 0.766 792 K HN 0.054 nan 8.250 nan 0.000 0.474 793 N N 0.542 119.249 118.700 0.012 0.000 2.976 793 N HA 0.134 4.870 4.740 -0.007 0.000 0.255 793 N C -2.446 173.071 175.510 0.012 0.000 1.312 793 N CA -2.124 50.939 53.050 0.021 0.000 0.897 793 N CB 1.080 39.611 38.487 0.074 0.000 1.184 793 N HN -0.193 nan 8.380 nan 0.000 0.497 794 P HA -0.241 nan 4.420 nan 0.000 0.219 794 P C 1.417 178.729 177.300 0.020 0.000 1.161 794 P CA 1.473 64.504 63.100 -0.115 0.000 0.909 794 P CB 0.331 31.939 31.700 -0.153 0.000 0.793 795 R N -0.173 120.338 120.500 0.018 0.000 2.083 795 R HA -0.185 4.150 4.340 -0.007 0.000 0.237 795 R C 2.075 178.418 176.300 0.071 0.000 1.137 795 R CA 1.643 57.766 56.100 0.038 0.000 0.951 795 R CB -0.464 29.851 30.300 0.024 0.000 0.851 795 R HN 0.109 nan 8.270 nan 0.000 0.434 796 E N -0.176 120.076 120.200 0.087 0.000 2.152 796 E HA -0.215 4.131 4.350 -0.007 0.000 0.192 796 E C 1.606 178.281 176.600 0.125 0.000 0.983 796 E CA 0.651 57.105 56.400 0.091 0.000 0.818 796 E CB -0.404 29.349 29.700 0.087 0.000 0.758 796 E HN 0.544 nan 8.360 nan 0.000 0.467 797 W N 2.205 123.504 121.300 -0.001 0.000 2.355 797 W HA -0.163 4.492 4.660 -0.008 0.000 0.309 797 W C 1.585 178.112 176.519 0.012 0.000 1.206 797 W CA 1.982 59.341 57.345 0.024 0.000 1.284 797 W CB -0.420 29.027 29.460 -0.021 0.000 1.145 797 W HN 0.013 nan 8.180 nan 0.000 0.502 798 T N 1.283 115.986 114.554 0.247 0.000 2.788 798 T HA -0.169 4.177 4.350 -0.007 0.000 0.268 798 T C 1.865 176.580 174.700 0.026 0.000 1.044 798 T CA 1.682 63.858 62.100 0.126 0.000 1.139 798 T CB -0.274 68.645 68.868 0.085 0.000 0.867 798 T HN 0.176 nan 8.240 nan 0.000 0.454 799 R N 0.404 120.922 120.500 0.030 0.000 2.092 799 R HA 0.110 4.445 4.340 -0.007 0.000 0.231 799 R C 2.495 178.785 176.300 -0.017 0.000 1.119 799 R CA 1.134 57.249 56.100 0.024 0.000 0.970 799 R CB -0.330 29.989 30.300 0.033 0.000 0.864 799 R HN 0.367 nan 8.270 nan 0.000 0.440 800 M N 0.516 120.068 119.600 -0.079 0.000 2.175 800 M HA -0.127 4.349 4.480 -0.007 0.000 0.264 800 M C 1.909 178.119 176.300 -0.150 0.000 1.063 800 M CA 1.307 56.522 55.300 -0.142 0.000 1.119 800 M CB 0.202 32.653 32.600 -0.248 0.000 1.377 800 M HN -0.026 nan 8.290 nan 0.000 0.415 801 V N 0.876 120.686 119.914 -0.174 0.000 2.295 801 V HA -0.307 3.809 4.120 -0.007 0.000 0.246 801 V C 2.204 178.285 176.094 -0.021 0.000 1.049 801 V CA 1.972 64.203 62.300 -0.115 0.000 1.024 801 V CB -0.585 31.200 31.823 -0.064 0.000 0.648 801 V HN 0.509 nan 8.190 nan 0.000 0.447 802 I N -0.471 120.107 120.570 0.012 0.000 2.264 802 I HA -0.268 3.897 4.170 -0.007 0.000 0.248 802 I C 2.670 178.838 176.117 0.086 0.000 1.111 802 I CA 1.564 62.918 61.300 0.089 0.000 1.382 802 I CB -0.417 37.683 38.000 0.167 0.000 1.060 802 I HN 0.234 nan 8.210 nan 0.000 0.418 803 R N 0.441 120.968 120.500 0.045 0.000 2.115 803 R HA -0.104 4.232 4.340 -0.007 0.000 0.230 803 R C 2.046 178.379 176.300 0.054 0.000 1.111 803 R CA 1.143 57.267 56.100 0.041 0.000 0.976 803 R CB -0.377 29.930 30.300 0.011 0.000 0.870 803 R HN 0.517 nan 8.270 nan 0.000 0.445 804 N N 0.661 119.389 118.700 0.047 0.000 2.109 804 N HA -0.070 4.666 4.740 -0.007 0.000 0.188 804 N C 1.955 177.527 175.510 0.104 0.000 1.034 804 N CA 1.115 54.217 53.050 0.086 0.000 0.846 804 N CB -0.025 38.493 38.487 0.051 0.000 1.010 804 N HN 0.104 nan 8.380 nan 0.000 0.425 805 I N 1.731 122.352 120.570 0.084 0.000 2.194 805 I HA -0.266 3.900 4.170 -0.007 0.000 0.246 805 I C 2.457 178.628 176.117 0.091 0.000 1.093 805 I CA 1.020 62.375 61.300 0.091 0.000 1.355 805 I CB -0.362 37.687 38.000 0.080 0.000 1.046 805 I HN 0.106 nan 8.210 nan 0.000 0.413 806 A N 0.289 123.161 122.820 0.087 0.000 2.070 806 A HA -0.168 4.148 4.320 -0.007 0.000 0.220 806 A C 2.057 179.680 177.584 0.064 0.000 1.159 806 A CA 2.067 54.145 52.037 0.069 0.000 0.656 806 A CB -0.850 18.193 19.000 0.072 0.000 0.800 806 A HN 0.547 nan 8.150 nan 0.000 0.453 807 T N -2.981 111.625 114.554 0.086 0.000 3.215 807 T HA 0.219 4.565 4.350 -0.007 0.000 0.271 807 T C 1.041 175.830 174.700 0.149 0.000 1.012 807 T CA 0.589 62.742 62.100 0.087 0.000 0.899 807 T CB -0.169 68.747 68.868 0.079 0.000 1.089 807 T HN 0.465 nan 8.240 nan 0.000 0.552 808 S N -0.150 115.657 115.700 0.178 0.000 2.575 808 S HA 0.266 4.732 4.470 -0.007 0.000 0.215 808 S C 2.215 176.945 174.600 0.217 0.000 0.966 808 S CA 0.262 58.645 58.200 0.305 0.000 0.911 808 S CB -0.549 62.805 63.200 0.257 0.000 0.780 808 S HN 0.517 nan 8.310 nan 0.000 0.514 809 G N 2.788 111.639 108.800 0.085 0.000 2.469 809 G HA2 -0.307 3.649 3.960 -0.007 0.000 0.220 809 G HA3 -0.307 3.649 3.960 -0.007 0.000 0.220 809 G C 1.326 176.180 174.900 -0.077 0.000 1.136 809 G CA 1.096 46.213 45.100 0.028 0.000 0.759 809 G HN 0.615 nan 8.290 nan 0.000 0.562 810 K N -0.117 120.122 120.400 -0.268 0.000 2.281 810 K HA -0.031 4.284 4.320 -0.007 0.000 0.203 810 K C 1.240 177.501 176.600 -0.565 0.000 1.046 810 K CA 0.716 56.707 56.287 -0.493 0.000 0.938 810 K CB -0.274 31.766 32.500 -0.767 0.000 0.737 810 K HN 0.407 nan 8.250 nan 0.000 0.458 811 F N 1.013 120.991 119.950 0.047 0.000 2.693 811 F HA 0.119 4.641 4.527 -0.008 0.000 0.303 811 F C 0.803 176.648 175.800 0.076 0.000 1.143 811 F CA -0.530 57.505 58.000 0.059 0.000 1.389 811 F CB 0.340 39.372 39.000 0.053 0.000 1.060 811 F HN -0.110 nan 8.300 nan 0.000 0.535 812 S N 0.286 116.064 115.700 0.130 0.000 2.545 812 S HA 0.084 4.549 4.470 -0.007 0.000 0.275 812 S C 1.415 176.091 174.600 0.128 0.000 1.299 812 S CA -0.263 58.014 58.200 0.127 0.000 1.048 812 S CB 0.854 64.098 63.200 0.074 0.000 0.938 812 S HN 0.336 nan 8.310 nan 0.000 0.496 813 S N 3.214 119.015 115.700 0.169 0.000 2.547 813 S HA -0.070 4.396 4.470 -0.007 0.000 0.235 813 S C 0.893 175.534 174.600 0.069 0.000 0.980 813 S CA 0.643 58.956 58.200 0.190 0.000 0.941 813 S CB -0.306 63.081 63.200 0.312 0.000 0.763 813 S HN 0.788 nan 8.310 nan 0.000 0.532 814 D N 1.771 122.201 120.400 0.050 0.000 2.149 814 D HA -0.050 4.586 4.640 -0.007 0.000 0.201 814 D C 2.111 178.408 176.300 -0.004 0.000 0.972 814 D CA 0.647 54.655 54.000 0.013 0.000 0.835 814 D CB -0.278 40.529 40.800 0.012 0.000 0.966 814 D HN 0.297 nan 8.370 nan 0.000 0.476 815 R N 0.901 121.402 120.500 0.002 0.000 2.066 815 R HA -0.066 4.270 4.340 -0.007 0.000 0.232 815 R C 1.827 178.113 176.300 -0.022 0.000 1.131 815 R CA 1.243 57.331 56.100 -0.020 0.000 0.955 815 R CB -0.759 29.517 30.300 -0.040 0.000 0.851 815 R HN 0.079 nan 8.270 nan 0.000 0.432 816 T N 2.261 116.822 114.554 0.012 0.000 2.684 816 T HA -0.113 4.233 4.350 -0.007 0.000 0.267 816 T C 1.905 176.601 174.700 -0.007 0.000 1.036 816 T CA 1.371 63.497 62.100 0.043 0.000 1.148 816 T CB -0.116 68.848 68.868 0.161 0.000 0.863 816 T HN 0.098 nan 8.240 nan 0.000 0.436 817 I N 1.596 122.083 120.570 -0.140 0.000 2.315 817 I HA -0.080 4.086 4.170 -0.007 0.000 0.248 817 I C 2.863 178.932 176.117 -0.080 0.000 1.117 817 I CA 0.855 62.039 61.300 -0.195 0.000 1.404 817 I CB -1.583 36.297 38.000 -0.200 0.000 1.071 817 I HN 0.190 nan 8.210 nan 0.000 0.419 818 A N 0.171 122.961 122.820 -0.049 0.000 1.933 818 A HA -0.221 4.095 4.320 -0.007 0.000 0.218 818 A C 2.243 179.785 177.584 -0.070 0.000 1.175 818 A CA 1.300 53.317 52.037 -0.033 0.000 0.628 818 A CB -0.494 18.492 19.000 -0.024 0.000 0.814 818 A HN 0.500 nan 8.150 nan 0.000 0.444 819 Q N -1.807 117.933 119.800 -0.100 0.000 2.079 819 Q HA -0.163 4.172 4.340 -0.007 0.000 0.200 819 Q C 1.936 177.775 176.000 -0.268 0.000 0.974 819 Q CA 1.617 57.324 55.803 -0.161 0.000 0.840 819 Q CB -0.319 28.312 28.738 -0.178 0.000 0.898 819 Q HN 0.812 nan 8.270 nan 0.000 0.430 820 Y N 0.701 120.719 120.300 -0.470 0.000 2.128 820 Y HA -0.289 4.257 4.550 -0.007 0.000 0.284 820 Y C 2.489 177.829 175.900 -0.934 0.000 1.154 820 Y CA 1.290 58.868 58.100 -0.869 0.000 1.149 820 Y CB -0.430 37.212 38.460 -1.363 0.000 0.976 820 Y HN 0.161 nan 8.280 nan 0.000 0.505 821 A N 0.343 122.937 122.820 -0.376 0.000 1.865 821 A HA -0.235 4.081 4.320 -0.007 0.000 0.217 821 A C 2.253 179.853 177.584 0.026 0.000 1.191 821 A CA 2.110 54.169 52.037 0.035 0.000 0.623 821 A CB -0.568 18.527 19.000 0.158 0.000 0.826 821 A HN 0.431 nan 8.150 nan 0.000 0.444 822 R N -0.625 119.852 120.500 -0.039 0.000 2.093 822 R HA -0.030 4.306 4.340 -0.007 0.000 0.224 822 R C 1.787 178.064 176.300 -0.038 0.000 1.101 822 R CA 1.425 57.513 56.100 -0.020 0.000 0.979 822 R CB -0.203 30.081 30.300 -0.028 0.000 0.877 822 R HN 0.671 nan 8.270 nan 0.000 0.441 823 E N -0.345 119.793 120.200 -0.104 0.000 2.447 823 E HA 0.089 4.435 4.350 -0.007 0.000 0.195 823 E C 1.427 177.979 176.600 -0.081 0.000 1.028 823 E CA 0.464 56.806 56.400 -0.095 0.000 0.876 823 E CB 0.518 30.133 29.700 -0.141 0.000 0.885 823 E HN 0.322 nan 8.360 nan 0.000 0.500 824 I N -1.200 119.290 120.570 -0.133 0.000 3.873 824 I HA 0.026 4.192 4.170 -0.007 0.000 0.284 824 I C 1.289 177.544 176.117 0.230 0.000 1.186 824 I CA -0.081 61.200 61.300 -0.030 0.000 1.362 824 I CB 0.247 38.087 38.000 -0.267 0.000 1.432 824 I HN 0.106 nan 8.210 nan 0.000 0.454 825 W N 1.653 123.049 121.300 0.159 0.000 2.658 825 W HA 0.328 4.984 4.660 -0.007 0.000 0.263 825 W C 1.454 178.008 176.519 0.059 0.000 1.274 825 W CA 0.787 58.204 57.345 0.120 0.000 1.343 825 W CB -1.074 28.444 29.460 0.096 0.000 1.106 825 W HN 0.310 nan 8.180 nan 0.000 0.615 826 G N 1.296 110.236 108.800 0.233 0.000 2.289 826 G HA2 -0.081 3.875 3.960 -0.007 0.000 0.280 826 G HA3 -0.081 3.875 3.960 -0.007 0.000 0.280 826 G C -0.363 174.610 174.900 0.122 0.000 1.089 826 G CA 0.240 45.418 45.100 0.131 0.000 0.939 826 G HN 0.456 nan 8.290 nan 0.000 0.499 827 V N -4.288 115.716 119.914 0.149 0.000 3.007 827 V HA 0.906 5.022 4.120 -0.007 0.000 0.311 827 V C -0.439 175.713 176.094 0.098 0.000 1.120 827 V CA -1.675 60.694 62.300 0.115 0.000 0.980 827 V CB 2.356 34.257 31.823 0.130 0.000 1.033 827 V HN 0.146 nan 8.190 nan 0.000 0.429 828 E N 3.897 124.138 120.200 0.068 0.000 2.174 828 E HA 0.516 4.862 4.350 -0.007 0.000 0.282 828 E C -2.500 174.135 176.600 0.060 0.000 0.992 828 E CA -1.747 54.687 56.400 0.056 0.000 0.803 828 E CB 1.904 31.629 29.700 0.041 0.000 1.090 828 E HN 0.771 nan 8.360 nan 0.000 0.396 829 P HA 0.088 nan 4.420 nan 0.000 0.272 829 P C -0.478 176.851 177.300 0.049 0.000 1.223 829 P CA -0.301 62.833 63.100 0.056 0.000 0.784 829 P CB 1.022 32.750 31.700 0.047 0.000 0.923 830 S N 0.939 116.671 115.700 0.053 0.000 2.547 830 S HA 0.362 4.828 4.470 -0.007 0.000 0.281 830 S C 0.398 175.025 174.600 0.046 0.000 1.118 830 S CA -0.759 57.471 58.200 0.050 0.000 0.947 830 S CB 1.040 64.278 63.200 0.064 0.000 1.053 830 S HN 0.295 nan 8.310 nan 0.000 0.482 831 R N 2.275 122.798 120.500 0.037 0.000 2.468 831 R HA 0.208 4.544 4.340 -0.007 0.000 0.280 831 R C -0.173 176.143 176.300 0.025 0.000 0.963 831 R CA -0.022 56.099 56.100 0.034 0.000 1.083 831 R CB 0.263 30.582 30.300 0.031 0.000 1.200 831 R HN 0.680 nan 8.270 nan 0.000 0.541 832 Q N 1.186 121.002 119.800 0.025 0.000 2.313 832 Q HA 0.102 4.438 4.340 -0.007 0.000 0.266 832 Q C -0.282 175.716 176.000 -0.002 0.000 0.989 832 Q CA 0.086 55.897 55.803 0.013 0.000 0.890 832 Q CB 0.869 29.619 28.738 0.020 0.000 1.200 832 Q HN -0.228 nan 8.270 nan 0.000 0.396 833 R N 1.499 121.989 120.500 -0.017 0.000 2.623 833 R HA 0.080 4.416 4.340 -0.007 0.000 0.271 833 R C -0.557 175.709 176.300 -0.056 0.000 1.043 833 R CA -0.180 55.898 56.100 -0.037 0.000 1.083 833 R CB 0.144 30.420 30.300 -0.041 0.000 0.974 833 R HN 0.418 nan 8.270 nan 0.000 0.436 834 L N 5.832 127.008 121.223 -0.079 0.000 2.395 834 L HA 0.305 4.640 4.340 -0.007 0.000 0.269 834 L C -1.703 175.100 176.870 -0.112 0.000 1.133 834 L CA -1.987 52.771 54.840 -0.136 0.000 0.812 834 L CB 0.739 42.700 42.059 -0.163 0.000 1.125 834 L HN 0.618 nan 8.230 nan 0.000 0.452 835 P HA -0.008 nan 4.420 nan 0.000 0.196 835 P C 0.082 177.347 177.300 -0.060 0.000 1.360 835 P CA 0.683 63.735 63.100 -0.081 0.000 1.128 835 P CB -0.693 30.959 31.700 -0.081 0.000 1.750 836 A N 3.470 126.260 122.820 -0.051 0.000 6.555 836 A HA -0.173 4.143 4.320 -0.007 0.000 0.385 836 A C -2.019 175.548 177.584 -0.027 0.000 2.032 836 A CA 0.036 52.052 52.037 -0.035 0.000 1.365 836 A CB -2.419 16.567 19.000 -0.023 0.000 1.144 836 A HN 0.433 nan 8.150 nan 0.000 0.515 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.105 63.100 0.008 0.000 0.800 837 P CB 0.000 31.718 31.700 0.030 0.000 0.726