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 3ivm_1_A DATA FIRST_RESID 7 DATA SEQUENCE LHYPVTRQGE QVDHYFGQAV ADPYRWLEDD RSPETEAWVK AQNAVTQDYL DATA SEQUENCE AQIPYRAAIK EKLAASWNYA KEGAPFREGR YHYFFKNDGL QNQNVLWRQQ DATA SEQUENCE EGKPAEVFLD PNTLSPDGTT ALDQLSFSRD GRILAYSLSL AGSDWREIHL DATA SEQUENCE XDVESKQPLE TPLKDVKFSG ISWLGNEGFF YSSYDKPDGS ELSARTDQHK DATA SEQUENCE VYFHRLGTAQ EDDRLVFGAI PAQHHRYVGA TVTEDDRFLL ISAANSTSGN DATA SEQUENCE RLYVKDLSQE NAPLLTVQGD LDADVSLVDN KGSTLYLLTN RDAPNRRLVT DATA SEQUENCE VDAANPGPAH WRDLIPERQQ VLTVHSGSGY LFAEYXVDAT ARVEQFDYEG DATA SEQUENCE KRVREVALPG LGSVSGFNGK HDDPALYFGF ENYAQPPTLY RFEPKSGAIS DATA SEQUENCE LYRASAAPFK PEDYVSEQRF YQSKDGTRVP LIISYRKGLK LDGSNPTILY DATA SEQUENCE GYGGFDVSLT PSFSVSVANW LDLGGVYAVA NLRGGGEYGQ AWHLAGTQQN DATA SEQUENCE KQNVFDDFIA AAEYLKAEGY TRTDRLAIRG GXNGGLLVGA VXTQRPDLXR DATA SEQUENCE VALPAVGVLD XLRYHTFTAG TGWAYDYGTS ADSEAXFDYL KGYSPLHNVR DATA SEQUENCE PGVSYPSTXV TTADHDDRVV PAHSFKFAAT LQADNAGPHP QLIRIETNAG DATA SEQUENCE HGAGTPVAKL IEQSADIYAF TLYEXGYREL PR 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.929 176.870 0.099 0.000 1.165 7 L CA 0.000 54.893 54.840 0.089 0.000 0.813 7 L CB 0.000 42.020 42.059 -0.066 0.000 0.961 8 H N -0.191 118.706 119.070 -0.287 0.000 3.779 8 H HA -0.020 4.536 4.556 0.000 0.000 0.326 8 H C -1.385 173.830 175.328 -0.189 0.000 0.891 8 H CA 0.870 56.784 56.048 -0.222 0.000 0.974 8 H CB -1.586 28.127 29.762 -0.082 0.000 1.425 8 H HN 0.308 nan 8.280 nan 0.000 0.346 9 Y N 2.683 123.018 120.300 0.057 0.000 2.299 9 Y HA 0.355 4.905 4.550 0.000 0.000 0.335 9 Y C -1.343 174.577 175.900 0.034 0.000 1.287 9 Y CA -2.148 55.964 58.100 0.020 0.000 1.424 9 Y CB 0.005 38.465 38.460 -0.000 0.000 1.326 9 Y HN 0.381 nan 8.280 nan 0.000 0.567 10 P HA 0.119 nan 4.420 nan 0.000 0.275 10 P C -0.963 176.451 177.300 0.190 0.000 1.227 10 P CA -0.335 62.824 63.100 0.099 0.000 0.781 10 P CB 0.571 32.233 31.700 -0.064 0.000 0.906 11 V N 3.308 123.335 119.914 0.189 0.000 2.655 11 V HA 0.091 4.211 4.120 0.000 0.000 0.300 11 V C 0.554 176.835 176.094 0.312 0.000 1.044 11 V CA 0.746 63.175 62.300 0.214 0.000 1.095 11 V CB 0.205 32.125 31.823 0.160 0.000 0.952 11 V HN 0.578 nan 8.190 nan 0.000 0.485 12 T N 5.681 120.436 114.554 0.335 0.000 2.892 12 T HA 0.357 4.707 4.350 0.000 0.000 0.311 12 T C 0.034 175.004 174.700 0.450 0.000 1.033 12 T CA -0.695 61.673 62.100 0.446 0.000 0.991 12 T CB 0.519 69.571 68.868 0.307 0.000 0.981 12 T HN 0.838 nan 8.240 nan 0.000 0.457 13 R N 2.843 123.566 120.500 0.372 0.000 2.643 13 R HA 0.291 4.631 4.340 0.000 0.000 0.270 13 R C -0.686 175.850 176.300 0.393 0.000 1.061 13 R CA -0.375 55.858 56.100 0.221 0.000 1.107 13 R CB 0.541 30.800 30.300 -0.068 0.000 0.999 13 R HN 0.513 nan 8.270 nan 0.000 0.460 14 Q N 1.346 121.268 119.800 0.203 0.000 2.307 14 Q HA 0.362 4.703 4.340 0.000 0.000 0.262 14 Q C -0.077 175.944 176.000 0.036 0.000 0.961 14 Q CA -0.696 55.156 55.803 0.081 0.000 0.882 14 Q CB 2.231 30.948 28.738 -0.034 0.000 1.264 14 Q HN 0.862 nan 8.270 nan 0.000 0.446 15 G N 1.212 110.052 108.800 0.067 0.000 2.543 15 G HA2 0.144 4.104 3.960 0.000 0.000 0.290 15 G HA3 0.144 4.104 3.960 0.000 0.000 0.290 15 G C -0.078 174.826 174.900 0.006 0.000 1.310 15 G CA -0.445 44.681 45.100 0.044 0.000 1.025 15 G HN 0.698 nan 8.290 nan 0.000 0.502 16 E N -0.885 119.321 120.200 0.011 0.000 2.476 16 E HA 0.059 4.409 4.350 0.000 0.000 0.196 16 E C 0.424 177.033 176.600 0.014 0.000 1.029 16 E CA -0.301 56.102 56.400 0.006 0.000 0.896 16 E CB 0.544 30.247 29.700 0.005 0.000 1.012 16 E HN 0.388 nan 8.360 nan 0.000 0.475 17 Q N 1.288 121.103 119.800 0.025 0.000 2.315 17 Q HA 0.038 4.378 4.340 0.000 0.000 0.289 17 Q C -1.046 174.964 176.000 0.018 0.000 1.044 17 Q CA 0.497 56.318 55.803 0.029 0.000 0.920 17 Q CB 0.641 29.406 28.738 0.046 0.000 1.214 17 Q HN -0.089 nan 8.270 nan 0.000 0.392 18 V N 5.185 125.108 119.914 0.016 0.000 2.612 18 V HA 0.343 4.463 4.120 0.000 0.000 0.301 18 V C -0.962 175.102 176.094 -0.051 0.000 1.059 18 V CA -0.953 61.335 62.300 -0.020 0.000 0.886 18 V CB 2.091 33.907 31.823 -0.012 0.000 1.007 18 V HN 0.853 nan 8.190 nan 0.000 0.426 19 D N 2.033 122.361 120.400 -0.120 0.000 2.268 19 D HA 0.573 5.213 4.640 0.000 0.000 0.249 19 D C -0.852 175.148 176.300 -0.500 0.000 1.008 19 D CA -0.338 53.524 54.000 -0.231 0.000 0.939 19 D CB 1.880 42.528 40.800 -0.253 0.000 1.170 19 D HN 0.585 nan 8.370 nan 0.000 0.468 20 H N -0.295 118.455 119.070 -0.534 0.000 2.538 20 H HA 0.380 4.937 4.556 0.000 0.000 0.353 20 H C -1.036 173.823 175.328 -0.783 0.000 1.109 20 H CA -0.440 55.334 56.048 -0.457 0.000 1.192 20 H CB 1.022 30.621 29.762 -0.272 0.000 1.555 20 H HN 0.237 nan 8.280 nan 0.000 0.518 21 Y N 2.229 122.322 120.300 -0.345 0.000 2.349 21 Y HA 0.247 4.797 4.550 0.000 0.000 0.324 21 Y C -0.538 175.085 175.900 -0.462 0.000 1.005 21 Y CA -1.285 56.413 58.100 -0.669 0.000 1.240 21 Y CB 0.461 38.086 38.460 -1.392 0.000 1.117 21 Y HN 0.650 nan 8.280 nan 0.000 0.463 22 F N 1.817 121.657 119.950 -0.183 0.000 3.027 22 F HA -0.224 4.303 4.527 0.000 0.000 0.276 22 F C 1.427 177.212 175.800 -0.025 0.000 0.967 22 F CA 1.359 59.312 58.000 -0.079 0.000 0.929 22 F CB -1.393 37.586 39.000 -0.035 0.000 0.873 22 F HN 0.912 nan 8.300 nan 0.000 0.787 23 G N -1.089 107.753 108.800 0.070 0.000 2.267 23 G HA2 -0.334 3.627 3.960 0.000 0.000 0.257 23 G HA3 -0.334 3.627 3.960 0.000 0.000 0.257 23 G C 0.272 175.260 174.900 0.146 0.000 0.998 23 G CA 0.241 45.402 45.100 0.103 0.000 0.620 23 G HN 0.549 nan 8.290 nan 0.000 0.529 24 Q N 0.908 120.786 119.800 0.130 0.000 2.279 24 Q HA 0.611 4.951 4.340 0.000 0.000 0.256 24 Q C 0.318 176.341 176.000 0.039 0.000 0.937 24 Q CA 0.211 56.103 55.803 0.147 0.000 0.933 24 Q CB 1.511 30.427 28.738 0.297 0.000 1.189 24 Q HN 0.667 nan 8.270 nan 0.000 0.417 25 A N 2.916 125.713 122.820 -0.038 0.000 2.301 25 A HA 0.542 4.862 4.320 0.000 0.000 0.298 25 A C -0.504 177.008 177.584 -0.120 0.000 1.185 25 A CA -0.467 51.351 52.037 -0.365 0.000 0.830 25 A CB 0.755 19.573 19.000 -0.303 0.000 1.112 25 A HN 0.516 nan 8.150 nan 0.000 0.508 26 V N 2.166 122.007 119.914 -0.122 0.000 2.525 26 V HA 0.577 4.697 4.120 0.000 0.000 0.299 26 V C 0.473 176.594 176.094 0.045 0.000 1.034 26 V CA -0.491 61.850 62.300 0.067 0.000 0.863 26 V CB 1.376 33.343 31.823 0.241 0.000 0.999 26 V HN 1.180 nan 8.190 nan 0.000 0.423 27 A N 2.868 125.722 122.820 0.057 0.000 2.366 27 A HA 0.590 4.910 4.320 0.000 0.000 0.272 27 A C -0.099 177.523 177.584 0.063 0.000 1.135 27 A CA -0.034 52.024 52.037 0.034 0.000 0.804 27 A CB 0.208 19.214 19.000 0.010 0.000 1.064 27 A HN 0.881 nan 8.150 nan 0.000 0.499 28 D N 3.001 123.422 120.400 0.035 0.000 2.502 28 D HA 0.312 4.952 4.640 0.000 0.000 0.301 28 D C -1.412 174.848 176.300 -0.066 0.000 1.202 28 D CA -1.363 52.654 54.000 0.027 0.000 0.878 28 D CB 0.891 41.752 40.800 0.101 0.000 1.062 28 D HN 0.255 nan 8.370 nan 0.000 0.499 29 P HA -0.189 nan 4.420 nan 0.000 0.218 29 P C 0.288 177.380 177.300 -0.346 0.000 1.146 29 P CA 0.994 63.881 63.100 -0.354 0.000 0.813 29 P CB 0.047 31.376 31.700 -0.619 0.000 0.778 30 Y N -0.800 119.486 120.300 -0.023 0.000 2.683 30 Y HA 0.290 4.840 4.550 0.000 0.000 0.297 30 Y C 2.258 177.921 175.900 -0.396 0.000 1.147 30 Y CA -0.785 57.138 58.100 -0.295 0.000 1.274 30 Y CB -0.731 37.507 38.460 -0.370 0.000 1.143 30 Y HN -0.191 nan 8.280 nan 0.000 0.527 31 R N 1.473 121.951 120.500 -0.037 0.000 2.105 31 R HA -0.167 4.173 4.340 0.000 0.000 0.239 31 R C 1.871 178.172 176.300 0.002 0.000 1.135 31 R CA 2.167 58.274 56.100 0.011 0.000 0.967 31 R CB -0.820 29.531 30.300 0.084 0.000 0.861 31 R HN 0.604 nan 8.270 nan 0.000 0.442 32 W N -0.187 121.121 121.300 0.014 0.000 2.421 32 W HA -0.083 4.577 4.660 0.000 0.000 0.270 32 W C 1.063 177.576 176.519 -0.010 0.000 1.233 32 W CA 0.255 57.601 57.345 0.002 0.000 1.226 32 W CB -0.944 28.510 29.460 -0.009 0.000 1.121 32 W HN 0.082 nan 8.180 nan 0.000 0.579 33 L N 1.184 121.953 121.223 -0.758 0.000 2.456 33 L HA -0.107 4.233 4.340 0.000 0.000 0.224 33 L C 2.285 179.038 176.870 -0.195 0.000 1.148 33 L CA 1.164 55.598 54.840 -0.677 0.000 0.825 33 L CB -0.393 41.074 42.059 -0.986 0.000 0.937 33 L HN 0.015 nan 8.230 nan 0.000 0.450 34 E N -0.826 119.296 120.200 -0.130 0.000 2.427 34 E HA -0.131 4.219 4.350 0.000 0.000 0.196 34 E C 0.446 177.043 176.600 -0.005 0.000 1.028 34 E CA 0.092 56.445 56.400 -0.078 0.000 0.864 34 E CB 0.042 29.766 29.700 0.040 0.000 0.813 34 E HN 0.262 nan 8.360 nan 0.000 0.514 35 D N 1.976 122.404 120.400 0.046 0.000 2.402 35 D HA -0.034 4.606 4.640 0.000 0.000 0.235 35 D C -0.060 176.291 176.300 0.085 0.000 1.226 35 D CA -0.156 53.892 54.000 0.080 0.000 0.918 35 D CB 0.513 41.385 40.800 0.119 0.000 1.043 35 D HN 0.060 nan 8.370 nan 0.000 0.506 36 D N 1.791 122.228 120.400 0.062 0.000 2.378 36 D HA -0.075 4.565 4.640 0.000 0.000 0.227 36 D C 0.953 177.293 176.300 0.066 0.000 1.012 36 D CA 0.436 54.482 54.000 0.076 0.000 0.905 36 D CB 0.092 40.910 40.800 0.029 0.000 0.895 36 D HN 0.278 nan 8.370 nan 0.000 0.532 37 R N -0.178 120.361 120.500 0.065 0.000 2.476 37 R HA 0.196 4.537 4.340 0.000 0.000 0.276 37 R C 0.226 176.566 176.300 0.066 0.000 0.941 37 R CA -0.009 56.123 56.100 0.055 0.000 1.088 37 R CB 0.709 31.033 30.300 0.040 0.000 1.216 37 R HN 0.177 nan 8.270 nan 0.000 0.533 38 S N 0.263 116.017 115.700 0.091 0.000 2.610 38 S HA 0.283 4.753 4.470 0.000 0.000 0.273 38 S C -1.953 172.711 174.600 0.105 0.000 1.274 38 S CA -1.264 56.996 58.200 0.100 0.000 1.023 38 S CB 1.742 65.022 63.200 0.134 0.000 0.962 38 S HN -0.238 nan 8.310 nan 0.000 0.523 39 P HA -0.063 nan 4.420 nan 0.000 0.217 39 P C 1.358 178.725 177.300 0.111 0.000 1.150 39 P CA 0.984 64.132 63.100 0.079 0.000 0.832 39 P CB 0.106 31.837 31.700 0.051 0.000 0.787 40 E N -1.014 119.266 120.200 0.133 0.000 2.077 40 E HA -0.144 4.206 4.350 0.000 0.000 0.193 40 E C 1.635 178.450 176.600 0.358 0.000 0.989 40 E CA 1.515 58.030 56.400 0.191 0.000 0.800 40 E CB -0.274 29.487 29.700 0.103 0.000 0.746 40 E HN 0.161 nan 8.360 nan 0.000 0.452 41 T N 0.713 115.468 114.554 0.335 0.000 2.737 41 T HA -0.136 4.214 4.350 0.000 0.000 0.265 41 T C 1.520 176.335 174.700 0.191 0.000 1.038 41 T CA 1.346 63.596 62.100 0.250 0.000 1.144 41 T CB -0.187 68.776 68.868 0.158 0.000 0.866 41 T HN 0.257 nan 8.240 nan 0.000 0.434 42 E N 1.162 121.450 120.200 0.147 0.000 2.077 42 E HA -0.080 4.270 4.350 0.000 0.000 0.193 42 E C 2.536 179.191 176.600 0.091 0.000 0.989 42 E CA 1.037 57.497 56.400 0.099 0.000 0.800 42 E CB -0.217 29.530 29.700 0.079 0.000 0.746 42 E HN 0.470 nan 8.360 nan 0.000 0.452 43 A N 0.689 123.583 122.820 0.123 0.000 1.969 43 A HA -0.178 4.142 4.320 0.000 0.000 0.218 43 A C 1.825 179.476 177.584 0.112 0.000 1.169 43 A CA 1.089 53.186 52.037 0.100 0.000 0.635 43 A CB -0.830 18.233 19.000 0.106 0.000 0.810 43 A HN 0.488 nan 8.150 nan 0.000 0.445 44 W N 0.483 121.784 121.300 0.001 0.000 2.354 44 W HA -0.163 4.497 4.660 0.000 0.000 0.315 44 W C 2.050 178.477 176.519 -0.152 0.000 1.206 44 W CA 2.180 59.501 57.345 -0.040 0.000 1.290 44 W CB -0.454 28.992 29.460 -0.023 0.000 1.152 44 W HN 0.091 nan 8.180 nan 0.000 0.489 45 V N 1.250 121.116 119.914 -0.079 0.000 2.282 45 V HA -0.381 3.739 4.120 0.000 0.000 0.249 45 V C 2.429 178.362 176.094 -0.267 0.000 1.057 45 V CA 2.507 64.632 62.300 -0.292 0.000 1.032 45 V CB -1.014 30.731 31.823 -0.131 0.000 0.645 45 V HN 0.181 nan 8.190 nan 0.000 0.447 46 K N -0.472 119.844 120.400 -0.140 0.000 2.063 46 K HA -0.184 4.136 4.320 0.000 0.000 0.208 46 K C 2.232 178.743 176.600 -0.149 0.000 1.048 46 K CA 1.529 57.753 56.287 -0.106 0.000 0.928 46 K CB -0.363 32.111 32.500 -0.045 0.000 0.713 46 K HN 0.476 nan 8.250 nan 0.000 0.442 47 A N 0.913 123.618 122.820 -0.192 0.000 1.877 47 A HA -0.203 4.118 4.320 0.000 0.000 0.216 47 A C 2.066 179.490 177.584 -0.267 0.000 1.186 47 A CA 1.314 53.235 52.037 -0.194 0.000 0.620 47 A CB -0.476 18.413 19.000 -0.184 0.000 0.822 47 A HN 0.300 nan 8.150 nan 0.000 0.443 48 Q N -0.036 119.471 119.800 -0.487 0.000 2.061 48 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 48 Q C 1.885 177.719 176.000 -0.277 0.000 0.984 48 Q CA 1.900 57.399 55.803 -0.507 0.000 0.846 48 Q CB -0.681 27.496 28.738 -0.936 0.000 0.902 48 Q HN 0.825 nan 8.270 nan 0.000 0.421 49 N N 0.228 118.786 118.700 -0.236 0.000 2.149 49 N HA -0.153 4.587 4.740 0.000 0.000 0.188 49 N C 1.766 177.224 175.510 -0.087 0.000 1.019 49 N CA 0.871 53.843 53.050 -0.130 0.000 0.857 49 N CB -0.038 38.392 38.487 -0.094 0.000 0.997 49 N HN 0.237 nan 8.380 nan 0.000 0.426 50 A N 0.625 123.389 122.820 -0.093 0.000 1.877 50 A HA -0.111 4.209 4.320 0.000 0.000 0.216 50 A C 2.367 179.933 177.584 -0.030 0.000 1.186 50 A CA 1.224 53.228 52.037 -0.055 0.000 0.620 50 A CB -0.781 18.185 19.000 -0.056 0.000 0.822 50 A HN 0.118 nan 8.150 nan 0.000 0.443 51 V N -0.374 119.518 119.914 -0.037 0.000 2.427 51 V HA -0.205 3.915 4.120 0.000 0.000 0.248 51 V C 2.744 178.872 176.094 0.057 0.000 1.051 51 V CA 2.408 64.718 62.300 0.016 0.000 1.048 51 V CB -1.085 30.755 31.823 0.029 0.000 0.666 51 V HN 0.624 nan 8.190 nan 0.000 0.456 52 T N -0.866 113.696 114.554 0.013 0.000 2.674 52 T HA -0.211 4.139 4.350 0.000 0.000 0.265 52 T C 1.987 176.732 174.700 0.075 0.000 1.039 52 T CA 1.308 63.426 62.100 0.031 0.000 1.150 52 T CB -0.263 68.576 68.868 -0.047 0.000 0.864 52 T HN 0.360 nan 8.240 nan 0.000 0.427 53 Q N 0.858 120.676 119.800 0.029 0.000 2.135 53 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 53 Q C 2.093 178.114 176.000 0.036 0.000 0.981 53 Q CA 1.429 57.248 55.803 0.028 0.000 0.856 53 Q CB -0.647 28.092 28.738 0.002 0.000 0.902 53 Q HN 0.573 nan 8.270 nan 0.000 0.425 54 D N -0.731 119.695 120.400 0.043 0.000 2.178 54 D HA -0.170 4.470 4.640 0.000 0.000 0.202 54 D C 1.724 178.052 176.300 0.046 0.000 0.974 54 D CA 0.663 54.681 54.000 0.030 0.000 0.841 54 D CB -0.092 40.725 40.800 0.028 0.000 0.953 54 D HN 0.253 nan 8.370 nan 0.000 0.478 55 Y N 0.567 120.870 120.300 0.005 0.000 2.220 55 Y HA -0.010 4.540 4.550 0.000 0.000 0.291 55 Y C 1.978 177.870 175.900 -0.013 0.000 1.129 55 Y CA 1.334 59.450 58.100 0.027 0.000 1.161 55 Y CB -0.114 38.407 38.460 0.103 0.000 0.997 55 Y HN -0.020 nan 8.280 nan 0.000 0.522 56 L N -0.436 120.883 121.223 0.160 0.000 2.083 56 L HA -0.204 4.136 4.340 0.000 0.000 0.209 56 L C 2.671 179.486 176.870 -0.091 0.000 1.083 56 L CA 1.035 55.913 54.840 0.064 0.000 0.752 56 L CB -0.990 41.134 42.059 0.108 0.000 0.899 56 L HN 0.306 nan 8.230 nan 0.000 0.433 57 A N -0.555 122.218 122.820 -0.077 0.000 2.131 57 A HA -0.186 4.134 4.320 0.000 0.000 0.220 57 A C 2.074 179.551 177.584 -0.179 0.000 1.158 57 A CA 1.149 53.126 52.037 -0.100 0.000 0.665 57 A CB -0.251 18.711 19.000 -0.064 0.000 0.795 57 A HN 0.439 nan 8.150 nan 0.000 0.460 58 Q N -0.371 119.256 119.800 -0.287 0.000 2.451 58 Q HA 0.175 4.515 4.340 0.000 0.000 0.206 58 Q C 0.157 175.846 176.000 -0.519 0.000 0.947 58 Q CA 0.355 55.935 55.803 -0.371 0.000 0.937 58 Q CB -0.166 28.299 28.738 -0.455 0.000 1.025 58 Q HN 0.701 nan 8.270 nan 0.000 0.511 59 I N 2.976 123.211 120.570 -0.559 0.000 2.301 59 I HA 0.064 4.234 4.170 0.000 0.000 0.292 59 I C -1.428 174.412 176.117 -0.461 0.000 1.046 59 I CA -1.743 59.155 61.300 -0.669 0.000 1.282 59 I CB 1.047 38.714 38.000 -0.554 0.000 1.409 59 I HN -0.139 nan 8.210 nan 0.000 0.484 60 P HA -0.212 nan 4.420 nan 0.000 0.215 60 P C 0.901 178.096 177.300 -0.175 0.000 1.157 60 P CA 1.716 64.656 63.100 -0.267 0.000 0.874 60 P CB -0.079 31.513 31.700 -0.180 0.000 0.790 61 Y N -1.853 118.485 120.300 0.064 0.000 2.461 61 Y HA 0.379 4.929 4.550 0.000 0.000 0.277 61 Y C 2.137 178.084 175.900 0.078 0.000 1.182 61 Y CA -0.954 57.190 58.100 0.072 0.000 1.276 61 Y CB -1.365 37.148 38.460 0.087 0.000 1.087 61 Y HN -0.203 nan 8.280 nan 0.000 0.519 62 R N 1.459 122.047 120.500 0.147 0.000 2.094 62 R HA -0.242 4.098 4.340 0.000 0.000 0.239 62 R C 2.251 178.649 176.300 0.163 0.000 1.137 62 R CA 1.887 58.096 56.100 0.181 0.000 0.943 62 R CB -0.517 29.818 30.300 0.059 0.000 0.850 62 R HN 0.481 nan 8.270 nan 0.000 0.433 63 A N 0.594 123.479 122.820 0.107 0.000 1.902 63 A HA -0.100 4.220 4.320 0.000 0.000 0.217 63 A C 2.384 180.037 177.584 0.114 0.000 1.181 63 A CA 1.738 53.830 52.037 0.092 0.000 0.623 63 A CB -0.768 18.268 19.000 0.059 0.000 0.818 63 A HN 0.589 nan 8.150 nan 0.000 0.443 64 A N -0.039 122.865 122.820 0.139 0.000 1.902 64 A HA -0.098 4.222 4.320 0.000 0.000 0.217 64 A C 2.122 179.790 177.584 0.141 0.000 1.181 64 A CA 1.554 53.670 52.037 0.132 0.000 0.623 64 A CB -0.601 18.486 19.000 0.146 0.000 0.818 64 A HN 0.512 nan 8.150 nan 0.000 0.443 65 I N -0.591 120.087 120.570 0.181 0.000 2.179 65 I HA -0.262 3.908 4.170 0.000 0.000 0.242 65 I C 2.567 178.796 176.117 0.187 0.000 1.088 65 I CA 1.869 63.283 61.300 0.189 0.000 1.357 65 I CB -0.273 37.879 38.000 0.253 0.000 1.051 65 I HN 0.395 nan 8.210 nan 0.000 0.409 66 K N 1.208 121.708 120.400 0.166 0.000 2.057 66 K HA -0.267 4.053 4.320 0.000 0.000 0.207 66 K C 2.113 178.787 176.600 0.124 0.000 1.049 66 K CA 1.779 58.149 56.287 0.138 0.000 0.931 66 K CB -0.124 32.435 32.500 0.098 0.000 0.714 66 K HN 0.284 nan 8.250 nan 0.000 0.440 67 E N 0.851 121.117 120.200 0.109 0.000 2.085 67 E HA -0.264 4.086 4.350 0.000 0.000 0.194 67 E C 2.000 178.669 176.600 0.115 0.000 0.994 67 E CA 1.489 57.946 56.400 0.096 0.000 0.801 67 E CB 0.042 29.792 29.700 0.082 0.000 0.743 67 E HN 0.232 nan 8.360 nan 0.000 0.453 68 K N 0.218 120.696 120.400 0.129 0.000 2.057 68 K HA -0.130 4.190 4.320 0.000 0.000 0.207 68 K C 2.357 179.076 176.600 0.198 0.000 1.049 68 K CA 1.043 57.415 56.287 0.141 0.000 0.931 68 K CB -0.075 32.503 32.500 0.130 0.000 0.714 68 K HN 0.164 nan 8.250 nan 0.000 0.440 69 L N 0.249 121.611 121.223 0.232 0.000 1.994 69 L HA -0.209 4.131 4.340 0.000 0.000 0.208 69 L C 2.562 179.640 176.870 0.347 0.000 1.071 69 L CA 1.446 56.479 54.840 0.323 0.000 0.745 69 L CB -0.537 41.716 42.059 0.322 0.000 0.892 69 L HN 0.297 nan 8.230 nan 0.000 0.431 70 A N -0.283 122.669 122.820 0.220 0.000 1.908 70 A HA -0.233 4.087 4.320 0.000 0.000 0.218 70 A C 2.456 180.166 177.584 0.211 0.000 1.181 70 A CA 1.923 54.059 52.037 0.164 0.000 0.627 70 A CB -0.779 18.263 19.000 0.070 0.000 0.818 70 A HN 0.471 nan 8.150 nan 0.000 0.445 71 A N 0.158 123.087 122.820 0.182 0.000 1.898 71 A HA -0.069 4.251 4.320 0.000 0.000 0.216 71 A C 2.460 180.162 177.584 0.198 0.000 1.181 71 A CA 2.270 54.402 52.037 0.158 0.000 0.620 71 A CB -0.861 18.204 19.000 0.108 0.000 0.819 71 A HN 0.992 nan 8.150 nan 0.000 0.442 72 S N -2.634 113.210 115.700 0.240 0.000 2.489 72 S HA -0.102 4.368 4.470 0.000 0.000 0.228 72 S C 1.711 176.598 174.600 0.479 0.000 0.995 72 S CA 0.593 58.931 58.200 0.231 0.000 0.934 72 S CB -0.430 62.897 63.200 0.211 0.000 0.771 72 S HN 0.716 nan 8.310 nan 0.000 0.522 73 W N 3.050 124.520 121.300 0.284 0.000 2.576 73 W HA 0.300 4.961 4.660 0.000 0.000 0.270 73 W C 0.377 176.925 176.519 0.048 0.000 1.255 73 W CA 0.144 57.622 57.345 0.222 0.000 1.314 73 W CB -0.636 28.894 29.460 0.118 0.000 1.101 73 W HN 0.284 nan 8.180 nan 0.000 0.595 74 N N 1.668 120.602 118.700 0.390 0.000 2.744 74 N HA -0.036 4.704 4.740 0.000 0.000 0.290 74 N C -1.421 174.238 175.510 0.249 0.000 1.206 74 N CA 0.249 53.438 53.050 0.231 0.000 1.119 74 N CB -1.306 37.282 38.487 0.169 0.000 1.449 74 N HN 0.104 nan 8.380 nan 0.000 0.514 75 Y N -0.968 119.425 120.300 0.155 0.000 2.544 75 Y HA 0.704 5.255 4.550 0.000 0.000 0.342 75 Y C -0.525 175.428 175.900 0.089 0.000 1.062 75 Y CA -1.861 56.291 58.100 0.086 0.000 1.023 75 Y CB 0.304 38.794 38.460 0.050 0.000 1.308 75 Y HN 0.179 nan 8.280 nan 0.000 0.457 76 A N 3.314 126.240 122.820 0.176 0.000 2.520 76 A HA 0.476 4.796 4.320 0.000 0.000 0.245 76 A C -0.469 177.188 177.584 0.122 0.000 1.072 76 A CA -0.407 51.685 52.037 0.092 0.000 0.761 76 A CB -0.050 18.984 19.000 0.056 0.000 1.004 76 A HN 0.704 nan 8.150 nan 0.000 0.499 77 K N 1.661 122.098 120.400 0.061 0.000 2.371 77 K HA 0.589 4.909 4.320 0.000 0.000 0.251 77 K C -0.846 175.811 176.600 0.095 0.000 0.934 77 K CA -0.497 55.843 56.287 0.087 0.000 0.798 77 K CB 2.589 35.118 32.500 0.048 0.000 1.204 77 K HN 0.817 nan 8.250 nan 0.000 0.427 78 E N 0.901 121.159 120.200 0.098 0.000 2.308 78 E HA 0.407 4.757 4.350 0.000 0.000 0.275 78 E C -0.853 175.848 176.600 0.167 0.000 0.890 78 E CA -0.747 55.728 56.400 0.125 0.000 0.754 78 E CB 1.774 31.490 29.700 0.026 0.000 1.207 78 E HN 0.750 nan 8.360 nan 0.000 0.426 79 G N 1.405 110.364 108.800 0.265 0.000 2.535 79 G HA2 0.595 4.555 3.960 0.000 0.000 0.303 79 G HA3 0.595 4.555 3.960 0.000 0.000 0.303 79 G C -0.563 174.467 174.900 0.216 0.000 1.237 79 G CA -0.174 45.086 45.100 0.266 0.000 0.986 79 G HN 0.572 nan 8.290 nan 0.000 0.494 80 A N 0.709 123.602 122.820 0.121 0.000 2.340 80 A HA 0.671 4.991 4.320 0.000 0.000 0.268 80 A C -1.735 175.816 177.584 -0.054 0.000 1.100 80 A CA -1.066 50.868 52.037 -0.172 0.000 0.803 80 A CB 0.348 19.164 19.000 -0.308 0.000 1.043 80 A HN 0.545 nan 8.150 nan 0.000 0.488 81 P HA 0.496 nan 4.420 nan 0.000 0.277 81 P C -1.190 176.190 177.300 0.134 0.000 1.240 81 P CA 0.116 63.188 63.100 -0.047 0.000 0.798 81 P CB 0.619 32.211 31.700 -0.181 0.000 0.979 82 F N -1.329 118.692 119.950 0.118 0.000 2.588 82 F HA 0.592 5.119 4.527 0.000 0.000 0.314 82 F C -0.399 175.420 175.800 0.032 0.000 1.134 82 F CA -1.532 56.514 58.000 0.076 0.000 0.961 82 F CB 1.376 40.397 39.000 0.035 0.000 1.239 82 F HN 0.171 nan 8.300 nan 0.000 0.448 83 R N 1.942 122.472 120.500 0.050 0.000 2.441 83 R HA 0.521 4.861 4.340 0.000 0.000 0.284 83 R C -1.101 175.092 176.300 -0.179 0.000 1.070 83 R CA -0.176 55.779 56.100 -0.243 0.000 1.047 83 R CB 0.825 30.944 30.300 -0.302 0.000 1.016 83 R HN 0.783 nan 8.270 nan 0.000 0.477 84 E N 2.693 122.757 120.200 -0.227 0.000 2.466 84 E HA 0.229 4.579 4.350 0.000 0.000 0.308 84 E C -0.119 176.419 176.600 -0.102 0.000 0.933 84 E CA 0.282 56.499 56.400 -0.305 0.000 0.800 84 E CB 1.437 30.586 29.700 -0.918 0.000 1.434 84 E HN 0.971 nan 8.360 nan 0.000 0.389 85 G N 3.511 112.257 108.800 -0.091 0.000 2.539 85 G HA2 -0.369 3.591 3.960 0.000 0.000 0.256 85 G HA3 -0.369 3.591 3.960 0.000 0.000 0.256 85 G C 0.443 175.279 174.900 -0.106 0.000 1.233 85 G CA 0.246 45.319 45.100 -0.045 0.000 0.936 85 G HN 0.564 nan 8.290 nan 0.000 0.571 86 R N -0.286 120.115 120.500 -0.165 0.000 2.363 86 R HA 0.381 4.721 4.340 0.000 0.000 0.236 86 R C -0.293 175.770 176.300 -0.395 0.000 0.966 86 R CA 0.220 56.149 56.100 -0.285 0.000 1.100 86 R CB -0.064 30.029 30.300 -0.345 0.000 1.125 86 R HN 0.412 nan 8.270 nan 0.000 0.514 87 Y N -0.120 120.060 120.300 -0.201 0.000 2.446 87 Y HA 0.356 4.906 4.550 0.000 0.000 0.345 87 Y C -0.315 175.320 175.900 -0.441 0.000 0.984 87 Y CA -1.336 56.571 58.100 -0.323 0.000 1.058 87 Y CB 1.520 39.654 38.460 -0.544 0.000 1.220 87 Y HN 0.030 nan 8.280 nan 0.000 0.455 88 H N 1.414 120.409 119.070 -0.125 0.000 2.467 88 H HA 0.399 4.955 4.556 0.000 0.000 0.326 88 H C -1.334 173.782 175.328 -0.353 0.000 1.094 88 H CA -0.555 55.422 56.048 -0.119 0.000 1.253 88 H CB 0.782 30.547 29.762 0.005 0.000 1.439 88 H HN 0.550 nan 8.280 nan 0.000 0.479 89 Y N 3.030 122.998 120.300 -0.553 0.000 2.420 89 Y HA 0.429 4.979 4.550 0.000 0.000 0.334 89 Y C -0.613 174.937 175.900 -0.583 0.000 1.094 89 Y CA -0.864 56.703 58.100 -0.888 0.000 1.126 89 Y CB 1.183 38.715 38.460 -1.547 0.000 1.217 89 Y HN 0.549 nan 8.280 nan 0.000 0.462 90 F N -0.418 119.374 119.950 -0.264 0.000 2.654 90 F HA 0.544 5.071 4.527 0.000 0.000 0.314 90 F C -1.987 173.836 175.800 0.039 0.000 1.116 90 F CA -1.842 56.136 58.000 -0.038 0.000 1.017 90 F CB 0.437 39.434 39.000 -0.004 0.000 1.285 90 F HN 0.151 nan 8.300 nan 0.000 0.448 91 F N 2.588 122.773 119.950 0.391 0.000 2.399 91 F HA 0.680 5.207 4.527 0.000 0.000 0.342 91 F C 0.299 176.287 175.800 0.314 0.000 1.106 91 F CA -0.025 58.171 58.000 0.327 0.000 1.196 91 F CB 1.448 40.609 39.000 0.269 0.000 1.163 91 F HN 0.453 nan 8.300 nan 0.000 0.547 92 K N 1.595 122.293 120.400 0.498 0.000 2.536 92 K HA 0.369 4.689 4.320 0.000 0.000 0.269 92 K C -1.473 175.307 176.600 0.301 0.000 0.965 92 K CA -1.208 55.260 56.287 0.301 0.000 0.860 92 K CB 2.373 34.907 32.500 0.057 0.000 1.423 92 K HN 0.431 nan 8.250 nan 0.000 0.438 93 N N 1.420 120.234 118.700 0.190 0.000 2.500 93 N HA 0.100 4.840 4.740 0.000 0.000 0.291 93 N C -0.762 174.812 175.510 0.107 0.000 1.092 93 N CA -0.195 52.955 53.050 0.165 0.000 0.890 93 N CB 1.614 40.182 38.487 0.136 0.000 1.466 93 N HN 0.534 nan 8.380 nan 0.000 0.507 94 D N 2.366 122.838 120.400 0.120 0.000 2.271 94 D HA -0.028 4.612 4.640 0.000 0.000 0.207 94 D C 1.364 177.702 176.300 0.063 0.000 0.983 94 D CA 1.932 55.983 54.000 0.086 0.000 0.878 94 D CB 0.348 41.208 40.800 0.100 0.000 0.920 94 D HN 0.869 nan 8.370 nan 0.000 0.479 95 G N -0.988 107.846 108.800 0.056 0.000 4.220 95 G HA2 -0.139 3.821 3.960 0.000 0.000 0.197 95 G HA3 -0.139 3.821 3.960 0.000 0.000 0.197 95 G C 0.426 175.367 174.900 0.069 0.000 1.518 95 G CA -0.132 44.990 45.100 0.038 0.000 0.955 95 G HN 0.245 nan 8.290 nan 0.000 0.353 96 L N 1.962 123.210 121.223 0.040 0.000 3.288 96 L HA 0.409 4.749 4.340 0.000 0.000 0.293 96 L C 0.323 177.177 176.870 -0.027 0.000 1.294 96 L CA -0.226 54.600 54.840 -0.024 0.000 1.006 96 L CB 1.064 43.098 42.059 -0.042 0.000 1.407 96 L HN 0.205 nan 8.230 nan 0.000 0.592 97 Q N 0.255 120.068 119.800 0.021 0.000 2.304 97 Q HA 0.103 4.444 4.340 0.000 0.000 0.260 97 Q C 0.477 176.481 176.000 0.007 0.000 0.965 97 Q CA -0.067 55.753 55.803 0.028 0.000 0.898 97 Q CB 1.108 29.891 28.738 0.076 0.000 1.196 97 Q HN 0.328 nan 8.270 nan 0.000 0.402 98 N N 1.030 119.720 118.700 -0.015 0.000 2.137 98 N HA -0.186 4.554 4.740 0.000 0.000 0.190 98 N C -0.104 175.408 175.510 0.003 0.000 1.017 98 N CA 1.061 54.093 53.050 -0.031 0.000 0.859 98 N CB 0.297 38.764 38.487 -0.032 0.000 1.002 98 N HN 0.474 nan 8.380 nan 0.000 0.428 99 Q N 0.279 120.099 119.800 0.032 0.000 2.389 99 Q HA 0.283 4.623 4.340 0.000 0.000 0.277 99 Q C -1.284 174.779 176.000 0.105 0.000 1.082 99 Q CA -0.687 55.150 55.803 0.057 0.000 0.810 99 Q CB 1.450 30.215 28.738 0.044 0.000 1.374 99 Q HN 0.108 nan 8.270 nan 0.000 0.422 100 N N 0.399 119.180 118.700 0.134 0.000 2.492 100 N HA 0.179 4.919 4.740 0.000 0.000 0.260 100 N C -0.466 175.243 175.510 0.332 0.000 1.215 100 N CA 0.045 53.237 53.050 0.237 0.000 0.923 100 N CB 0.803 39.422 38.487 0.220 0.000 1.092 100 N HN 0.208 nan 8.380 nan 0.000 0.448 101 V N 2.251 122.388 119.914 0.372 0.000 2.472 101 V HA 0.246 4.367 4.120 0.000 0.000 0.290 101 V C 0.102 176.361 176.094 0.276 0.000 1.037 101 V CA -0.911 61.546 62.300 0.262 0.000 0.908 101 V CB 1.632 33.559 31.823 0.173 0.000 0.985 101 V HN 0.413 nan 8.190 nan 0.000 0.454 102 L N 5.374 126.588 121.223 -0.015 0.000 2.260 102 L HA 0.531 4.871 4.340 0.000 0.000 0.289 102 L C -0.903 175.820 176.870 -0.245 0.000 1.057 102 L CA 0.057 54.716 54.840 -0.303 0.000 0.811 102 L CB 0.395 42.221 42.059 -0.388 0.000 1.184 102 L HN 0.619 nan 8.230 nan 0.000 0.429 103 W N 5.752 126.740 121.300 -0.520 0.000 2.485 103 W HA 0.766 5.426 4.660 0.000 0.000 0.364 103 W C -0.091 175.801 176.519 -1.044 0.000 1.171 103 W CA -0.542 56.389 57.345 -0.690 0.000 1.304 103 W CB 0.980 29.907 29.460 -0.888 0.000 1.335 103 W HN 0.536 nan 8.180 nan 0.000 0.643 104 R N 0.928 121.028 120.500 -0.667 0.000 2.710 104 R HA 0.683 5.023 4.340 0.000 0.000 0.270 104 R C -1.686 174.436 176.300 -0.296 0.000 1.021 104 R CA -1.070 54.533 56.100 -0.829 0.000 0.889 104 R CB 2.159 31.645 30.300 -1.356 0.000 1.243 104 R HN 0.578 nan 8.270 nan 0.000 0.464 105 Q N 1.541 121.315 119.800 -0.044 0.000 2.353 105 Q HA 0.235 4.576 4.340 0.000 0.000 0.275 105 Q C -1.783 174.346 176.000 0.216 0.000 1.029 105 Q CA -0.737 55.176 55.803 0.183 0.000 0.848 105 Q CB 2.595 31.507 28.738 0.291 0.000 1.390 105 Q HN 0.763 nan 8.270 nan 0.000 0.401 106 Q N 1.552 121.447 119.800 0.159 0.000 2.297 106 Q HA 0.445 4.785 4.340 0.000 0.000 0.268 106 Q C -0.799 175.200 176.000 -0.003 0.000 1.045 106 Q CA -0.953 54.835 55.803 -0.026 0.000 0.861 106 Q CB 1.910 30.475 28.738 -0.288 0.000 1.344 106 Q HN 0.603 nan 8.270 nan 0.000 0.452 107 E N 0.009 120.191 120.200 -0.030 0.000 2.529 107 E HA 0.098 4.449 4.350 0.000 0.000 0.259 107 E C 0.343 176.932 176.600 -0.019 0.000 0.966 107 E CA 1.391 57.781 56.400 -0.017 0.000 0.937 107 E CB -0.130 29.555 29.700 -0.024 0.000 0.923 107 E HN 0.921 nan 8.360 nan 0.000 0.468 108 G N 3.693 112.489 108.800 -0.007 0.000 2.148 108 G HA2 -0.226 3.734 3.960 0.000 0.000 0.254 108 G HA3 -0.226 3.734 3.960 0.000 0.000 0.254 108 G C -0.200 174.705 174.900 0.008 0.000 0.981 108 G CA 0.369 45.467 45.100 -0.003 0.000 0.670 108 G HN 0.429 nan 8.290 nan 0.000 0.528 109 K N -0.014 120.400 120.400 0.022 0.000 2.482 109 K HA 0.561 4.881 4.320 0.000 0.000 0.257 109 K C -2.741 173.896 176.600 0.062 0.000 0.969 109 K CA -1.786 54.526 56.287 0.042 0.000 0.842 109 K CB 2.639 35.171 32.500 0.053 0.000 1.359 109 K HN 0.076 nan 8.250 nan 0.000 0.441 110 P HA 0.181 nan 4.420 nan 0.000 0.278 110 P C -0.545 176.843 177.300 0.147 0.000 1.238 110 P CA -0.400 62.755 63.100 0.093 0.000 0.794 110 P CB 0.682 32.433 31.700 0.084 0.000 0.955 111 A N 2.951 125.890 122.820 0.198 0.000 2.555 111 A HA 0.165 4.485 4.320 0.000 0.000 0.233 111 A C 0.590 178.406 177.584 0.387 0.000 1.060 111 A CA 0.223 52.452 52.037 0.319 0.000 0.759 111 A CB -0.437 18.816 19.000 0.422 0.000 0.995 111 A HN 0.693 nan 8.150 nan 0.000 0.506 112 E N 0.644 121.010 120.200 0.277 0.000 2.343 112 E HA 0.584 4.934 4.350 0.000 0.000 0.270 112 E C -1.372 175.029 176.600 -0.332 0.000 0.895 112 E CA -1.074 55.346 56.400 0.035 0.000 0.767 112 E CB 1.495 31.173 29.700 -0.037 0.000 1.248 112 E HN 0.272 nan 8.360 nan 0.000 0.440 113 V N 3.134 122.587 119.914 -0.767 0.000 2.521 113 V HA -0.004 4.116 4.120 0.000 0.000 0.286 113 V C -0.061 175.753 176.094 -0.467 0.000 1.034 113 V CA 0.311 61.998 62.300 -1.023 0.000 1.045 113 V CB 0.322 31.591 31.823 -0.923 0.000 0.974 113 V HN 0.787 nan 8.190 nan 0.000 0.480 114 F N 5.925 125.546 119.950 -0.549 0.000 2.490 114 F HA 0.462 4.989 4.527 0.000 0.000 0.280 114 F C 0.252 175.869 175.800 -0.305 0.000 1.030 114 F CA 0.356 58.135 58.000 -0.368 0.000 1.367 114 F CB 0.582 39.399 39.000 -0.305 0.000 1.131 114 F HN 0.348 nan 8.300 nan 0.000 0.632 115 L N 1.789 122.778 121.223 -0.390 0.000 2.457 115 L HA 0.368 4.709 4.340 0.000 0.000 0.266 115 L C -1.788 174.921 176.870 -0.268 0.000 0.979 115 L CA -0.395 54.168 54.840 -0.461 0.000 0.857 115 L CB 0.941 42.709 42.059 -0.485 0.000 1.213 115 L HN 0.077 nan 8.230 nan 0.000 0.418 116 D N 6.292 126.541 120.400 -0.251 0.000 2.477 116 D HA 0.459 5.099 4.640 0.000 0.000 0.239 116 D C -1.950 174.286 176.300 -0.105 0.000 1.102 116 D CA -2.144 51.761 54.000 -0.159 0.000 0.901 116 D CB 1.926 42.616 40.800 -0.183 0.000 1.026 116 D HN 0.274 nan 8.370 nan 0.000 0.515 117 P HA -0.123 nan 4.420 nan 0.000 0.218 117 P C 1.059 178.342 177.300 -0.028 0.000 1.146 117 P CA 0.702 63.782 63.100 -0.034 0.000 0.813 117 P CB 0.289 31.996 31.700 0.012 0.000 0.778 118 N N -1.059 117.629 118.700 -0.021 0.000 2.289 118 N HA -0.105 4.635 4.740 0.000 0.000 0.184 118 N C 1.535 177.027 175.510 -0.030 0.000 1.016 118 N CA 1.909 54.949 53.050 -0.018 0.000 0.872 118 N CB -0.716 37.766 38.487 -0.008 0.000 0.973 118 N HN 0.328 nan 8.380 nan 0.000 0.433 119 T N -1.633 112.893 114.554 -0.047 0.000 3.085 119 T HA 0.106 4.456 4.350 0.000 0.000 0.263 119 T C 1.887 176.562 174.700 -0.041 0.000 1.127 119 T CA 0.266 62.336 62.100 -0.049 0.000 1.103 119 T CB -0.192 68.635 68.868 -0.069 0.000 0.921 119 T HN 0.105 nan 8.240 nan 0.000 0.510 120 L N 0.488 121.687 121.223 -0.040 0.000 2.446 120 L HA 0.331 4.671 4.340 0.000 0.000 0.219 120 L C 1.250 178.106 176.870 -0.024 0.000 1.116 120 L CA 0.004 54.824 54.840 -0.033 0.000 0.844 120 L CB 0.025 42.060 42.059 -0.039 0.000 0.970 120 L HN 0.260 nan 8.230 nan 0.000 0.457 121 S N -1.751 113.936 115.700 -0.023 0.000 2.556 121 S HA 0.430 4.900 4.470 0.000 0.000 0.271 121 S C -2.145 172.444 174.600 -0.018 0.000 1.135 121 S CA -1.049 57.139 58.200 -0.019 0.000 0.858 121 S CB 1.762 64.949 63.200 -0.021 0.000 1.114 121 S HN -0.243 nan 8.310 nan 0.000 0.468 122 P HA -0.035 nan 4.420 nan 0.000 0.215 122 P C 0.059 177.350 177.300 -0.015 0.000 1.157 122 P CA 1.273 64.365 63.100 -0.014 0.000 0.863 122 P CB -0.033 31.661 31.700 -0.010 0.000 0.787 123 D N -2.466 117.924 120.400 -0.016 0.000 2.427 123 D HA 0.240 4.880 4.640 0.000 0.000 0.224 123 D C 0.992 177.278 176.300 -0.023 0.000 1.157 123 D CA -0.163 53.826 54.000 -0.019 0.000 0.828 123 D CB -1.004 39.785 40.800 -0.017 0.000 0.974 123 D HN 0.143 nan 8.370 nan 0.000 0.498 124 G N 0.979 109.767 108.800 -0.020 0.000 2.283 124 G HA2 -0.349 3.612 3.960 0.000 0.000 0.280 124 G HA3 -0.349 3.612 3.960 0.000 0.000 0.280 124 G C 0.968 175.857 174.900 -0.018 0.000 1.029 124 G CA 0.986 46.075 45.100 -0.018 0.000 0.840 124 G HN 0.554 nan 8.290 nan 0.000 0.505 125 T N -3.007 111.533 114.554 -0.023 0.000 3.148 125 T HA 0.302 4.652 4.350 0.000 0.000 0.253 125 T C 1.002 175.686 174.700 -0.026 0.000 1.134 125 T CA 0.974 63.058 62.100 -0.027 0.000 1.051 125 T CB 0.488 69.333 68.868 -0.040 0.000 0.959 125 T HN 0.348 nan 8.240 nan 0.000 0.525 126 T N 2.763 117.305 114.554 -0.020 0.000 2.767 126 T HA 0.695 5.045 4.350 0.000 0.000 0.288 126 T C -0.162 174.538 174.700 -0.001 0.000 0.963 126 T CA -0.508 61.584 62.100 -0.014 0.000 1.019 126 T CB 1.179 70.036 68.868 -0.019 0.000 0.923 126 T HN 0.502 nan 8.240 nan 0.000 0.468 127 A N 2.936 125.764 122.820 0.012 0.000 2.413 127 A HA 0.791 5.111 4.320 0.000 0.000 0.307 127 A C -0.930 176.680 177.584 0.043 0.000 1.087 127 A CA -0.823 51.230 52.037 0.026 0.000 0.750 127 A CB 1.126 20.142 19.000 0.027 0.000 1.296 127 A HN 0.736 nan 8.150 nan 0.000 0.423 128 L N 1.242 122.499 121.223 0.057 0.000 2.276 128 L HA 0.491 4.831 4.340 0.000 0.000 0.286 128 L C 0.263 177.181 176.870 0.081 0.000 1.061 128 L CA 0.270 55.167 54.840 0.094 0.000 0.807 128 L CB 0.837 42.970 42.059 0.122 0.000 1.177 128 L HN 0.885 nan 8.230 nan 0.000 0.429 129 D N 1.875 122.332 120.400 0.094 0.000 2.799 129 D HA 0.076 4.716 4.640 0.000 0.000 0.267 129 D C -0.173 176.179 176.300 0.087 0.000 1.468 129 D CA 0.646 54.691 54.000 0.075 0.000 1.077 129 D CB 0.494 41.340 40.800 0.078 0.000 1.065 129 D HN 0.557 nan 8.370 nan 0.000 0.359 130 Q N 0.129 119.988 119.800 0.098 0.000 2.227 130 Q HA 0.503 4.843 4.340 0.000 0.000 0.245 130 Q C -0.450 175.628 176.000 0.130 0.000 0.926 130 Q CA -0.503 55.357 55.803 0.096 0.000 0.895 130 Q CB 2.000 30.783 28.738 0.074 0.000 1.230 130 Q HN 0.444 nan 8.270 nan 0.000 0.450 131 L N -1.562 119.736 121.223 0.124 0.000 2.470 131 L HA 0.728 5.068 4.340 0.000 0.000 0.268 131 L C -0.584 176.347 176.870 0.100 0.000 0.964 131 L CA -0.704 54.207 54.840 0.119 0.000 0.839 131 L CB 2.180 44.332 42.059 0.156 0.000 1.276 131 L HN 0.367 nan 8.230 nan 0.000 0.403 132 S N 2.622 118.370 115.700 0.081 0.000 2.776 132 S HA 0.679 5.149 4.470 0.000 0.000 0.284 132 S C -0.881 173.854 174.600 0.225 0.000 1.160 132 S CA -0.348 57.984 58.200 0.221 0.000 1.051 132 S CB 0.630 64.008 63.200 0.297 0.000 1.037 132 S HN 0.484 nan 8.310 nan 0.000 0.485 133 F N 3.109 123.077 119.950 0.030 0.000 2.389 133 F HA 0.357 4.884 4.527 0.000 0.000 0.337 133 F C 1.529 176.920 175.800 -0.680 0.000 1.112 133 F CA -0.268 57.611 58.000 -0.201 0.000 1.192 133 F CB 1.022 39.903 39.000 -0.198 0.000 1.185 133 F HN 0.605 nan 8.300 nan 0.000 0.552 134 S N 1.716 116.814 115.700 -1.003 0.000 2.580 134 S HA 0.082 4.552 4.470 0.000 0.000 0.266 134 S C 1.274 175.554 174.600 -0.533 0.000 1.354 134 S CA -0.781 56.484 58.200 -1.558 0.000 1.008 134 S CB 0.836 63.270 63.200 -1.277 0.000 0.898 134 S HN 0.710 nan 8.310 nan 0.000 0.555 135 R N 1.653 121.979 120.500 -0.289 0.000 2.113 135 R HA -0.171 4.169 4.340 0.000 0.000 0.244 135 R C 1.476 177.726 176.300 -0.084 0.000 1.142 135 R CA 2.405 58.456 56.100 -0.083 0.000 0.953 135 R CB -1.164 29.146 30.300 0.016 0.000 0.860 135 R HN 0.941 nan 8.270 nan 0.000 0.438 136 D N -1.832 118.512 120.400 -0.094 0.000 2.363 136 D HA 0.085 4.725 4.640 0.000 0.000 0.226 136 D C 1.047 177.313 176.300 -0.056 0.000 1.020 136 D CA 0.846 54.811 54.000 -0.057 0.000 0.892 136 D CB -0.327 40.454 40.800 -0.033 0.000 0.900 136 D HN 0.396 nan 8.370 nan 0.000 0.531 137 G N 0.679 109.431 108.800 -0.079 0.000 2.153 137 G HA2 -0.410 3.550 3.960 0.000 0.000 0.252 137 G HA3 -0.410 3.550 3.960 0.000 0.000 0.252 137 G C 1.132 176.088 174.900 0.094 0.000 0.994 137 G CA 0.439 45.535 45.100 -0.006 0.000 0.698 137 G HN 0.467 nan 8.290 nan 0.000 0.521 138 R N -1.006 119.513 120.500 0.031 0.000 2.223 138 R HA 0.323 4.663 4.340 0.000 0.000 0.198 138 R C 0.784 177.136 176.300 0.087 0.000 0.984 138 R CA 0.559 56.706 56.100 0.078 0.000 1.018 138 R CB 0.417 30.746 30.300 0.048 0.000 0.945 138 R HN 0.395 nan 8.270 nan 0.000 0.479 139 I N 1.354 121.920 120.570 -0.006 0.000 2.509 139 I HA 0.284 4.454 4.170 0.000 0.000 0.293 139 I C -0.904 175.206 176.117 -0.013 0.000 1.020 139 I CA -1.310 60.010 61.300 0.033 0.000 1.088 139 I CB 1.881 39.924 38.000 0.071 0.000 1.267 139 I HN -0.087 nan 8.210 nan 0.000 0.430 140 L N 5.714 126.978 121.223 0.068 0.000 2.333 140 L HA 0.847 5.188 4.340 0.000 0.000 0.280 140 L C -0.469 176.507 176.870 0.176 0.000 1.004 140 L CA -0.174 54.621 54.840 -0.076 0.000 0.820 140 L CB 1.542 43.422 42.059 -0.299 0.000 1.247 140 L HN 0.696 nan 8.230 nan 0.000 0.416 141 A N 4.900 127.831 122.820 0.186 0.000 2.318 141 A HA 0.774 5.094 4.320 0.000 0.000 0.324 141 A C -1.611 175.983 177.584 0.016 0.000 1.170 141 A CA -0.356 51.670 52.037 -0.018 0.000 0.810 141 A CB 0.615 19.330 19.000 -0.475 0.000 1.198 141 A HN 0.873 nan 8.150 nan 0.000 0.484 142 Y N 0.179 120.407 120.300 -0.120 0.000 2.513 142 Y HA 0.711 5.261 4.550 0.000 0.000 0.340 142 Y C -0.205 175.668 175.900 -0.046 0.000 1.055 142 Y CA -0.875 57.176 58.100 -0.081 0.000 1.020 142 Y CB 1.094 39.514 38.460 -0.067 0.000 1.301 142 Y HN 0.668 nan 8.280 nan 0.000 0.453 143 S N 3.922 119.662 115.700 0.067 0.000 2.525 143 S HA 0.826 5.296 4.470 0.000 0.000 0.290 143 S C -1.049 173.600 174.600 0.081 0.000 1.152 143 S CA -0.731 57.484 58.200 0.026 0.000 1.072 143 S CB 1.182 64.401 63.200 0.032 0.000 1.027 143 S HN 0.767 nan 8.310 nan 0.000 0.500 144 L N 2.085 123.333 121.223 0.043 0.000 2.342 144 L HA 0.667 5.008 4.340 0.000 0.000 0.271 144 L C 0.092 176.996 176.870 0.057 0.000 1.008 144 L CA -0.744 54.117 54.840 0.036 0.000 0.818 144 L CB 2.215 44.238 42.059 -0.059 0.000 1.296 144 L HN 0.807 nan 8.230 nan 0.000 0.427 145 S N 2.176 117.907 115.700 0.052 0.000 2.454 145 S HA 0.701 5.171 4.470 0.000 0.000 0.306 145 S C -0.950 173.671 174.600 0.035 0.000 1.100 145 S CA -0.555 57.682 58.200 0.061 0.000 1.087 145 S CB 0.929 64.167 63.200 0.063 0.000 1.019 145 S HN 0.341 nan 8.310 nan 0.000 0.480 146 L N 4.179 125.423 121.223 0.034 0.000 2.296 146 L HA 0.674 5.014 4.340 0.000 0.000 0.286 146 L C 0.949 177.769 176.870 -0.083 0.000 1.023 146 L CA 0.476 55.307 54.840 -0.015 0.000 0.812 146 L CB 0.714 42.771 42.059 -0.004 0.000 1.223 146 L HN 1.065 nan 8.230 nan 0.000 0.421 147 A N 3.238 125.976 122.820 -0.138 0.000 2.826 147 A HA -0.008 4.312 4.320 0.000 0.000 0.274 147 A C 1.449 178.943 177.584 -0.150 0.000 1.443 147 A CA 1.438 53.316 52.037 -0.265 0.000 0.833 147 A CB -2.049 16.512 19.000 -0.730 0.000 1.023 147 A HN 1.980 nan 8.150 nan 0.000 0.600 148 G N -2.315 106.471 108.800 -0.023 0.000 2.162 148 G HA2 -0.012 3.948 3.960 0.000 0.000 0.260 148 G HA3 -0.012 3.948 3.960 0.000 0.000 0.260 148 G C 0.577 175.546 174.900 0.115 0.000 0.976 148 G CA 1.351 46.485 45.100 0.057 0.000 0.655 148 G HN 2.323 nan 8.290 nan 0.000 0.533 149 S N -0.565 115.209 115.700 0.123 0.000 2.603 149 S HA 0.421 4.891 4.470 0.000 0.000 0.268 149 S C 1.220 175.895 174.600 0.126 0.000 1.317 149 S CA 0.321 58.633 58.200 0.186 0.000 1.012 149 S CB 0.721 64.087 63.200 0.276 0.000 0.926 149 S HN 0.161 nan 8.310 nan 0.000 0.539 150 D N 1.727 122.154 120.400 0.045 0.000 2.347 150 D HA 0.076 4.716 4.640 0.000 0.000 0.215 150 D C -0.118 176.024 176.300 -0.263 0.000 0.976 150 D CA 0.310 54.227 54.000 -0.138 0.000 0.884 150 D CB 0.061 40.678 40.800 -0.305 0.000 0.915 150 D HN 0.513 nan 8.370 nan 0.000 0.526 151 W N 1.106 122.383 121.300 -0.039 0.000 2.161 151 W HA 0.282 4.942 4.660 0.000 0.000 0.344 151 W C 1.174 177.694 176.519 0.002 0.000 1.262 151 W CA -0.252 57.079 57.345 -0.023 0.000 1.270 151 W CB 0.795 30.258 29.460 0.004 0.000 1.126 151 W HN -0.400 nan 8.180 nan 0.000 0.598 152 R N 0.852 121.534 120.500 0.304 0.000 2.764 152 R HA 0.384 4.724 4.340 0.000 0.000 0.270 152 R C -1.349 175.037 176.300 0.143 0.000 1.014 152 R CA -1.156 55.048 56.100 0.174 0.000 0.904 152 R CB 2.097 32.465 30.300 0.114 0.000 1.236 152 R HN 0.501 nan 8.270 nan 0.000 0.466 153 E N 1.309 121.564 120.200 0.092 0.000 2.248 153 E HA 0.455 4.806 4.350 0.000 0.000 0.267 153 E C -0.634 175.976 176.600 0.017 0.000 0.877 153 E CA -0.668 55.753 56.400 0.036 0.000 0.759 153 E CB 2.700 32.457 29.700 0.094 0.000 1.182 153 E HN 0.335 nan 8.360 nan 0.000 0.418 154 I N 3.280 123.768 120.570 -0.136 0.000 2.312 154 I HA 0.221 4.391 4.170 0.000 0.000 0.290 154 I C -0.432 175.503 176.117 -0.303 0.000 1.008 154 I CA -0.517 60.653 61.300 -0.217 0.000 1.226 154 I CB 0.502 38.310 38.000 -0.320 0.000 1.371 154 I HN 0.407 nan 8.210 nan 0.000 0.468 155 H N 5.789 124.492 119.070 -0.610 0.000 2.483 155 H HA 0.670 5.226 4.556 0.000 0.000 0.338 155 H C -0.347 174.669 175.328 -0.521 0.000 1.152 155 H CA -0.225 55.438 56.048 -0.640 0.000 1.264 155 H CB 1.403 30.574 29.762 -0.985 0.000 1.510 155 H HN 0.387 nan 8.280 nan 0.000 0.530 159 V N 2.883 122.927 119.914 0.217 0.000 2.407 159 V HA -0.144 3.976 4.120 0.000 0.000 0.248 159 V C 2.187 178.455 176.094 0.290 0.000 1.055 159 V CA 2.142 64.647 62.300 0.342 0.000 1.049 159 V CB -0.529 31.510 31.823 0.359 0.000 0.662 159 V HN 0.672 nan 8.190 nan 0.000 0.455 160 E N 1.585 121.913 120.200 0.212 0.000 2.031 160 E HA -0.203 4.147 4.350 0.000 0.000 0.193 160 E C 2.316 179.000 176.600 0.140 0.000 0.994 160 E CA 2.101 58.615 56.400 0.191 0.000 0.800 160 E CB -0.402 29.392 29.700 0.156 0.000 0.752 160 E HN 0.689 nan 8.360 nan 0.000 0.447 161 S N -0.935 114.828 115.700 0.105 0.000 2.528 161 S HA 0.094 4.564 4.470 0.000 0.000 0.219 161 S C 0.617 175.235 174.600 0.030 0.000 0.985 161 S CA 0.452 58.689 58.200 0.062 0.000 0.914 161 S CB -0.127 63.102 63.200 0.049 0.000 0.776 161 S HN 0.337 nan 8.310 nan 0.000 0.526 162 K N 0.064 120.487 120.400 0.039 0.000 3.281 162 K HA -0.122 4.198 4.320 0.000 0.000 0.295 162 K C -0.701 175.855 176.600 -0.074 0.000 1.233 162 K CA 0.907 57.153 56.287 -0.068 0.000 0.866 162 K CB -1.232 31.176 32.500 -0.154 0.000 1.265 162 K HN 0.465 nan 8.250 nan 0.000 0.482 163 Q N -0.207 119.587 119.800 -0.010 0.000 2.257 163 Q HA 0.396 4.736 4.340 0.000 0.000 0.262 163 Q C -2.455 173.562 176.000 0.028 0.000 0.997 163 Q CA -2.318 53.485 55.803 -0.001 0.000 0.873 163 Q CB 0.951 29.693 28.738 0.008 0.000 1.312 163 Q HN -0.118 nan 8.270 nan 0.000 0.450 164 P HA -0.039 nan 4.420 nan 0.000 0.265 164 P C 0.215 177.540 177.300 0.042 0.000 1.193 164 P CA 0.047 63.174 63.100 0.045 0.000 0.765 164 P CB 0.551 32.268 31.700 0.029 0.000 0.823 165 L N 3.129 124.385 121.223 0.055 0.000 2.189 165 L HA 0.235 4.576 4.340 0.000 0.000 0.199 165 L C 0.642 177.536 176.870 0.040 0.000 1.074 165 L CA 1.688 56.565 54.840 0.062 0.000 0.783 165 L CB -0.031 42.089 42.059 0.102 0.000 0.955 165 L HN 0.343 nan 8.230 nan 0.000 0.460 166 E N -1.374 118.842 120.200 0.026 0.000 2.393 166 E HA 0.260 4.610 4.350 0.000 0.000 0.265 166 E C -1.046 175.511 176.600 -0.071 0.000 0.941 166 E CA -0.753 55.645 56.400 -0.003 0.000 0.801 166 E CB 1.476 31.199 29.700 0.038 0.000 1.313 166 E HN -0.062 nan 8.360 nan 0.000 0.435 167 T N 2.024 116.521 114.554 -0.094 0.000 2.918 167 T HA 0.181 4.531 4.350 0.000 0.000 0.302 167 T C -2.216 172.333 174.700 -0.252 0.000 1.045 167 T CA -1.450 60.558 62.100 -0.154 0.000 1.114 167 T CB 0.418 69.211 68.868 -0.126 0.000 0.965 167 T HN 0.166 nan 8.240 nan 0.000 0.540 168 P HA 0.177 nan 4.420 nan 0.000 0.271 168 P C -0.486 176.578 177.300 -0.393 0.000 1.218 168 P CA -0.275 62.511 63.100 -0.524 0.000 0.780 168 P CB 0.474 31.613 31.700 -0.936 0.000 0.901 169 L N 2.502 123.478 121.223 -0.411 0.000 2.349 169 L HA 0.271 4.611 4.340 0.000 0.000 0.275 169 L C 1.162 177.871 176.870 -0.268 0.000 1.115 169 L CA -0.114 54.483 54.840 -0.405 0.000 0.820 169 L CB 0.177 41.877 42.059 -0.597 0.000 1.135 169 L HN 0.326 nan 8.230 nan 0.000 0.445 170 K N 1.403 121.689 120.400 -0.189 0.000 2.280 170 K HA 0.319 4.639 4.320 0.000 0.000 0.234 170 K C -0.532 176.075 176.600 0.012 0.000 1.028 170 K CA -0.921 55.314 56.287 -0.087 0.000 0.882 170 K CB 1.069 33.509 32.500 -0.100 0.000 1.194 170 K HN 0.500 nan 8.250 nan 0.000 0.458 171 D N -0.216 120.239 120.400 0.092 0.000 2.870 171 D HA -0.133 4.507 4.640 0.000 0.000 0.228 171 D C -0.586 176.001 176.300 0.478 0.000 1.147 171 D CA 0.635 54.802 54.000 0.278 0.000 0.757 171 D CB -1.610 39.293 40.800 0.172 0.000 1.091 171 D HN 0.096 nan 8.370 nan 0.000 0.429 172 V N -0.138 120.001 119.914 0.374 0.000 2.644 172 V HA 0.573 4.693 4.120 0.000 0.000 0.295 172 V C 0.584 176.834 176.094 0.260 0.000 1.053 172 V CA -0.010 62.483 62.300 0.321 0.000 0.987 172 V CB 2.173 34.109 31.823 0.188 0.000 1.006 172 V HN 0.187 nan 8.190 nan 0.000 0.472 173 K N 2.614 123.105 120.400 0.152 0.000 2.589 173 K HA 0.395 4.715 4.320 0.000 0.000 0.265 173 K C -1.263 175.370 176.600 0.055 0.000 0.935 173 K CA -0.769 55.427 56.287 -0.151 0.000 0.850 173 K CB 0.865 32.989 32.500 -0.627 0.000 1.372 173 K HN 0.287 nan 8.250 nan 0.000 0.420 174 F N 0.056 120.080 119.950 0.124 0.000 2.829 174 F HA -0.207 4.320 4.527 0.000 0.000 0.237 174 F C -0.081 175.865 175.800 0.243 0.000 1.017 174 F CA 1.148 59.242 58.000 0.157 0.000 0.882 174 F CB -1.755 37.338 39.000 0.154 0.000 0.795 174 F HN 0.360 nan 8.300 nan 0.000 0.848 175 S N -0.736 115.153 115.700 0.314 0.000 2.542 175 S HA 0.888 5.358 4.470 0.000 0.000 0.293 175 S C 0.340 175.054 174.600 0.191 0.000 1.089 175 S CA 0.007 58.358 58.200 0.252 0.000 0.961 175 S CB 1.834 65.189 63.200 0.258 0.000 1.062 175 S HN 0.689 nan 8.310 nan 0.000 0.483 176 G N 1.572 110.478 108.800 0.177 0.000 2.568 176 G HA2 0.734 4.694 3.960 0.000 0.000 0.293 176 G HA3 0.734 4.694 3.960 0.000 0.000 0.293 176 G C -1.081 173.914 174.900 0.158 0.000 1.347 176 G CA -0.724 44.464 45.100 0.145 0.000 1.039 176 G HN 0.750 nan 8.290 nan 0.000 0.523 177 I N 0.435 121.080 120.570 0.125 0.000 2.560 177 I HA 0.281 4.451 4.170 0.000 0.000 0.283 177 I C -0.676 175.529 176.117 0.146 0.000 1.115 177 I CA -0.360 60.972 61.300 0.053 0.000 1.066 177 I CB 2.076 39.975 38.000 -0.169 0.000 1.221 177 I HN 0.381 nan 8.210 nan 0.000 0.450 178 S N 5.653 121.514 115.700 0.269 0.000 2.756 178 S HA 0.496 4.966 4.470 0.000 0.000 0.303 178 S C -1.143 173.754 174.600 0.495 0.000 1.135 178 S CA -0.409 58.008 58.200 0.363 0.000 1.066 178 S CB 0.651 64.039 63.200 0.313 0.000 1.008 178 S HN 0.398 nan 8.310 nan 0.000 0.482 179 W N 3.846 125.378 121.300 0.386 0.000 2.170 179 W HA 0.414 5.074 4.660 0.000 0.000 0.336 179 W C 0.075 176.836 176.519 0.402 0.000 1.283 179 W CA -0.534 57.056 57.345 0.410 0.000 1.224 179 W CB 0.525 30.160 29.460 0.293 0.000 1.132 179 W HN 0.441 nan 8.180 nan 0.000 0.571 180 L N 4.775 126.407 121.223 0.681 0.000 2.297 180 L HA 0.590 4.930 4.340 0.000 0.000 0.277 180 L C 0.755 177.887 176.870 0.437 0.000 1.040 180 L CA 0.469 55.614 54.840 0.509 0.000 0.867 180 L CB -0.077 42.254 42.059 0.452 0.000 1.244 180 L HN 0.787 nan 8.230 nan 0.000 0.433 181 G N 4.623 113.630 108.800 0.345 0.000 2.629 181 G HA2 -0.388 3.572 3.960 0.000 0.000 0.313 181 G HA3 -0.388 3.572 3.960 0.000 0.000 0.313 181 G C 0.632 175.712 174.900 0.300 0.000 1.217 181 G CA 0.601 45.851 45.100 0.250 0.000 0.994 181 G HN 0.679 nan 8.290 nan 0.000 0.549 182 N N 1.164 120.020 118.700 0.260 0.000 2.238 182 N HA 0.168 4.908 4.740 0.000 0.000 0.235 182 N C 1.377 177.107 175.510 0.366 0.000 1.209 182 N CA 0.590 53.792 53.050 0.253 0.000 0.879 182 N CB 1.093 39.637 38.487 0.095 0.000 1.136 182 N HN 0.741 nan 8.380 nan 0.000 0.517 183 E N 0.574 121.004 120.200 0.384 0.000 2.122 183 E HA 0.139 4.489 4.350 0.000 0.000 0.190 183 E C 1.085 177.842 176.600 0.262 0.000 0.977 183 E CA 0.449 57.031 56.400 0.302 0.000 0.820 183 E CB 0.434 30.302 29.700 0.281 0.000 0.770 183 E HN 0.307 nan 8.360 nan 0.000 0.462 184 G N 0.200 109.183 108.800 0.305 0.000 2.344 184 G HA2 0.322 4.282 3.960 0.000 0.000 0.282 184 G HA3 0.322 4.282 3.960 0.000 0.000 0.282 184 G C -1.779 172.783 174.900 -0.562 0.000 1.281 184 G CA -0.599 44.245 45.100 -0.425 0.000 0.877 184 G HN 0.128 nan 8.290 nan 0.000 0.494 185 F N -1.825 117.491 119.950 -1.057 0.000 2.662 185 F HA 0.885 5.412 4.527 0.000 0.000 0.312 185 F C -1.413 174.112 175.800 -0.459 0.000 1.113 185 F CA -2.237 55.372 58.000 -0.653 0.000 0.951 185 F CB 1.053 39.451 39.000 -1.003 0.000 1.344 185 F HN 0.427 nan 8.300 nan 0.000 0.462 186 F N 1.614 121.755 119.950 0.320 0.000 2.425 186 F HA 0.683 5.210 4.527 0.000 0.000 0.331 186 F C -0.316 175.728 175.800 0.408 0.000 1.085 186 F CA -0.751 57.440 58.000 0.318 0.000 1.028 186 F CB 1.517 40.674 39.000 0.262 0.000 1.177 186 F HN 0.664 nan 8.300 nan 0.000 0.487 187 Y N -1.679 118.841 120.300 0.366 0.000 2.705 187 Y HA 0.789 5.339 4.550 0.000 0.000 0.332 187 Y C -1.310 174.700 175.900 0.182 0.000 1.221 187 Y CA -1.426 56.826 58.100 0.254 0.000 1.059 187 Y CB 1.107 39.718 38.460 0.252 0.000 1.298 187 Y HN 0.362 nan 8.280 nan 0.000 0.459 188 S N 0.970 116.744 115.700 0.122 0.000 2.532 188 S HA 0.771 5.241 4.470 0.000 0.000 0.301 188 S C -1.091 173.532 174.600 0.038 0.000 1.083 188 S CA -0.708 57.395 58.200 -0.162 0.000 1.025 188 S CB 1.609 64.554 63.200 -0.426 0.000 1.056 188 S HN 0.811 nan 8.310 nan 0.000 0.494 189 S N 0.400 116.076 115.700 -0.040 0.000 2.570 189 S HA 0.658 5.129 4.470 0.000 0.000 0.270 189 S C -1.112 173.620 174.600 0.220 0.000 1.149 189 S CA -0.407 57.925 58.200 0.220 0.000 0.837 189 S CB 0.753 64.142 63.200 0.316 0.000 1.124 189 S HN 0.619 nan 8.310 nan 0.000 0.465 190 Y N 1.819 122.383 120.300 0.439 0.000 2.453 190 Y HA 0.483 5.034 4.550 0.000 0.000 0.273 190 Y C -0.114 175.969 175.900 0.304 0.000 1.130 190 Y CA 0.535 58.862 58.100 0.378 0.000 1.271 190 Y CB 0.367 39.014 38.460 0.311 0.000 1.253 190 Y HN 0.709 nan 8.280 nan 0.000 0.512 191 D N -0.725 119.990 120.400 0.524 0.000 4.229 191 D HA -0.017 4.623 4.640 0.000 0.000 0.147 191 D C -1.521 174.923 176.300 0.239 0.000 1.138 191 D CA -0.509 53.664 54.000 0.289 0.000 1.596 191 D CB 0.131 41.061 40.800 0.217 0.000 4.595 191 D HN -0.174 nan 8.370 nan 0.000 0.737 192 K N 2.574 123.008 120.400 0.057 0.000 2.437 192 K HA 0.170 4.490 4.320 0.000 0.000 0.277 192 K C -2.144 174.452 176.600 -0.007 0.000 1.073 192 K CA -0.640 55.590 56.287 -0.095 0.000 1.105 192 K CB -0.203 32.190 32.500 -0.179 0.000 0.881 192 K HN 0.194 nan 8.250 nan 0.000 0.475 193 P HA 0.049 nan 4.420 nan 0.000 0.274 193 P C -1.027 176.272 177.300 -0.002 0.000 1.237 193 P CA -0.490 62.630 63.100 0.034 0.000 0.793 193 P CB 0.447 32.186 31.700 0.064 0.000 0.977 194 D N 0.267 120.668 120.400 0.002 0.000 2.336 194 D HA 0.484 5.124 4.640 0.000 0.000 0.249 194 D C 0.792 177.092 176.300 -0.001 0.000 1.213 194 D CA -0.291 53.706 54.000 -0.006 0.000 0.870 194 D CB 0.025 40.822 40.800 -0.004 0.000 1.076 194 D HN 0.655 nan 8.370 nan 0.000 0.483 195 G N 0.902 109.699 108.800 -0.006 0.000 2.298 195 G HA2 0.085 4.045 3.960 0.000 0.000 0.309 195 G HA3 0.085 4.045 3.960 0.000 0.000 0.309 195 G C -0.734 174.168 174.900 0.003 0.000 1.279 195 G CA -0.501 44.602 45.100 0.005 0.000 1.042 195 G HN 0.702 nan 8.290 nan 0.000 0.480 196 S N 0.179 115.891 115.700 0.020 0.000 2.516 196 S HA 0.337 4.808 4.470 0.000 0.000 0.282 196 S C 1.554 176.181 174.600 0.045 0.000 1.286 196 S CA 0.967 59.181 58.200 0.022 0.000 1.066 196 S CB 0.515 63.735 63.200 0.033 0.000 0.884 196 S HN 0.899 nan 8.310 nan 0.000 0.491 197 E N 4.495 124.706 120.200 0.018 0.000 2.511 197 E HA 0.018 4.368 4.350 0.000 0.000 0.196 197 E C 0.810 177.584 176.600 0.290 0.000 1.066 197 E CA 0.473 56.923 56.400 0.083 0.000 0.871 197 E CB -0.154 29.384 29.700 -0.269 0.000 0.863 197 E HN 0.708 nan 8.360 nan 0.000 0.520 198 L N 0.788 122.115 121.223 0.172 0.000 2.728 198 L HA 0.217 4.557 4.340 0.000 0.000 0.238 198 L C 1.255 178.189 176.870 0.107 0.000 1.143 198 L CA 0.414 55.356 54.840 0.171 0.000 0.937 198 L CB 0.340 42.459 42.059 0.100 0.000 1.225 198 L HN 0.274 nan 8.230 nan 0.000 0.507 199 S N -2.310 113.457 115.700 0.112 0.000 2.597 199 S HA 0.225 4.695 4.470 0.000 0.000 0.275 199 S C 0.771 175.471 174.600 0.167 0.000 1.040 199 S CA 0.217 58.483 58.200 0.109 0.000 1.187 199 S CB 0.249 63.481 63.200 0.052 0.000 0.988 199 S HN 0.049 nan 8.310 nan 0.000 0.490 200 A N 2.974 125.866 122.820 0.121 0.000 2.498 200 A HA 0.519 4.839 4.320 0.000 0.000 0.239 200 A C 0.467 178.076 177.584 0.043 0.000 1.068 200 A CA -0.229 51.857 52.037 0.080 0.000 0.766 200 A CB -0.024 19.010 19.000 0.057 0.000 1.003 200 A HN 0.584 nan 8.150 nan 0.000 0.497 201 R N 1.029 121.522 120.500 -0.012 0.000 2.537 201 R HA 0.272 4.612 4.340 0.000 0.000 0.280 201 R C -0.422 175.815 176.300 -0.104 0.000 1.058 201 R CA 0.978 57.033 56.100 -0.074 0.000 1.057 201 R CB 0.201 30.437 30.300 -0.107 0.000 0.973 201 R HN 0.839 nan 8.270 nan 0.000 0.438 202 T N 0.814 115.243 114.554 -0.208 0.000 2.879 202 T HA 0.318 4.668 4.350 0.000 0.000 0.290 202 T C -0.515 173.976 174.700 -0.348 0.000 0.993 202 T CA -0.863 61.032 62.100 -0.341 0.000 0.975 202 T CB 1.654 70.082 68.868 -0.735 0.000 0.981 202 T HN 0.681 nan 8.240 nan 0.000 0.439 203 D N 1.328 121.653 120.400 -0.126 0.000 2.497 203 D HA 0.077 4.717 4.640 0.000 0.000 0.256 203 D C 0.357 176.730 176.300 0.122 0.000 1.273 203 D CA -0.252 53.734 54.000 -0.024 0.000 0.812 203 D CB 0.236 40.993 40.800 -0.072 0.000 1.190 203 D HN 0.555 nan 8.370 nan 0.000 0.524 204 Q N 0.823 120.746 119.800 0.206 0.000 2.788 204 Q HA 0.177 4.517 4.340 0.000 0.000 0.278 204 Q C -0.819 175.367 176.000 0.311 0.000 1.126 204 Q CA -0.359 55.534 55.803 0.149 0.000 1.017 204 Q CB 0.490 29.179 28.738 -0.082 0.000 1.219 204 Q HN 0.450 nan 8.270 nan 0.000 0.503 205 H N 1.545 120.720 119.070 0.176 0.000 2.897 205 H HA 0.127 4.684 4.556 0.000 0.000 0.347 205 H C -0.424 174.905 175.328 0.002 0.000 1.068 205 H CA 0.498 56.455 56.048 -0.151 0.000 1.426 205 H CB 0.711 30.356 29.762 -0.194 0.000 1.410 205 H HN 0.214 nan 8.280 nan 0.000 0.597 206 K N 3.055 123.393 120.400 -0.103 0.000 2.426 206 K HA 0.342 4.662 4.320 0.000 0.000 0.251 206 K C -1.294 175.156 176.600 -0.249 0.000 0.941 206 K CA -0.950 55.265 56.287 -0.121 0.000 0.808 206 K CB 2.872 35.320 32.500 -0.087 0.000 1.265 206 K HN 0.215 nan 8.250 nan 0.000 0.432 207 V N 3.300 123.080 119.914 -0.224 0.000 2.370 207 V HA 0.322 4.442 4.120 0.000 0.000 0.279 207 V C -1.022 174.855 176.094 -0.362 0.000 1.029 207 V CA -0.533 61.651 62.300 -0.193 0.000 0.870 207 V CB 0.122 31.934 31.823 -0.018 0.000 0.984 207 V HN 0.578 nan 8.190 nan 0.000 0.451 208 Y N 3.773 123.880 120.300 -0.322 0.000 2.549 208 Y HA 0.620 5.170 4.550 0.000 0.000 0.339 208 Y C -0.478 175.304 175.900 -0.196 0.000 1.053 208 Y CA -0.942 56.958 58.100 -0.333 0.000 1.105 208 Y CB 2.098 40.150 38.460 -0.680 0.000 1.258 208 Y HN 0.588 nan 8.280 nan 0.000 0.478 209 F N 2.203 122.119 119.950 -0.058 0.000 2.460 209 F HA 0.361 4.888 4.527 0.000 0.000 0.341 209 F C -0.931 174.751 175.800 -0.197 0.000 1.130 209 F CA -0.844 56.956 58.000 -0.333 0.000 0.962 209 F CB 0.456 39.117 39.000 -0.564 0.000 1.171 209 F HN 0.529 nan 8.300 nan 0.000 0.436 210 H N 5.938 124.318 119.070 -1.150 0.000 2.594 210 H HA 0.385 4.942 4.556 0.000 0.000 0.304 210 H C -0.503 173.996 175.328 -1.381 0.000 1.068 210 H CA -0.446 54.995 56.048 -1.012 0.000 1.308 210 H CB 0.602 29.759 29.762 -1.009 0.000 1.409 210 H HN 0.736 nan 8.280 nan 0.000 0.460 211 R N 5.463 125.237 120.500 -1.209 0.000 2.308 211 R HA 0.269 4.609 4.340 0.000 0.000 0.305 211 R C -0.449 175.362 176.300 -0.816 0.000 1.053 211 R CA -0.676 54.957 56.100 -0.779 0.000 0.957 211 R CB 0.517 30.683 30.300 -0.225 0.000 1.022 211 R HN 0.662 nan 8.270 nan 0.000 0.461 212 L N 3.792 124.732 121.223 -0.472 0.000 2.485 212 L HA 0.107 4.447 4.340 0.000 0.000 0.275 212 L C 1.242 178.021 176.870 -0.152 0.000 1.207 212 L CA 1.047 55.739 54.840 -0.245 0.000 0.855 212 L CB 0.829 42.899 42.059 0.018 0.000 1.114 212 L HN 1.122 nan 8.230 nan 0.000 0.485 213 G N 1.436 110.182 108.800 -0.089 0.000 2.137 213 G HA2 -0.226 3.734 3.960 0.000 0.000 0.237 213 G HA3 -0.226 3.734 3.960 0.000 0.000 0.237 213 G C 0.095 174.960 174.900 -0.059 0.000 1.002 213 G CA 0.201 45.276 45.100 -0.042 0.000 0.702 213 G HN 0.901 nan 8.290 nan 0.000 0.515 214 T N -3.239 111.259 114.554 -0.094 0.000 2.864 214 T HA 0.902 5.252 4.350 0.000 0.000 0.299 214 T C 0.065 174.787 174.700 0.037 0.000 1.166 214 T CA 0.300 62.366 62.100 -0.056 0.000 1.007 214 T CB 1.964 70.768 68.868 -0.108 0.000 1.219 214 T HN 1.781 nan 8.240 nan 0.000 0.506 215 A N 0.602 123.444 122.820 0.036 0.000 2.322 215 A HA 0.481 4.801 4.320 0.000 0.000 0.269 215 A C 1.374 179.000 177.584 0.070 0.000 1.094 215 A CA -0.354 51.710 52.037 0.045 0.000 0.807 215 A CB 0.595 19.598 19.000 0.004 0.000 1.047 215 A HN 1.083 nan 8.150 nan 0.000 0.487 216 Q N 0.438 120.235 119.800 -0.004 0.000 2.170 216 Q HA -0.209 4.131 4.340 0.000 0.000 0.203 216 Q C 1.610 177.587 176.000 -0.038 0.000 0.976 216 Q CA 2.019 57.785 55.803 -0.063 0.000 0.858 216 Q CB -0.168 28.450 28.738 -0.201 0.000 0.907 216 Q HN 0.934 nan 8.270 nan 0.000 0.433 217 E N -0.540 119.639 120.200 -0.035 0.000 2.333 217 E HA -0.203 4.147 4.350 0.000 0.000 0.198 217 E C 0.434 177.040 176.600 0.011 0.000 1.007 217 E CA 1.194 57.580 56.400 -0.023 0.000 0.845 217 E CB 0.012 29.700 29.700 -0.019 0.000 0.766 217 E HN 0.393 nan 8.360 nan 0.000 0.507 218 D N 1.249 121.665 120.400 0.025 0.000 2.369 218 D HA 0.049 4.689 4.640 0.000 0.000 0.211 218 D C -0.494 175.848 176.300 0.070 0.000 1.077 218 D CA 0.000 54.025 54.000 0.042 0.000 0.842 218 D CB 0.071 40.886 40.800 0.025 0.000 0.947 218 D HN 0.110 nan 8.370 nan 0.000 0.509 219 D N 1.835 122.292 120.400 0.094 0.000 2.458 219 D HA -0.003 4.638 4.640 0.000 0.000 0.243 219 D C 0.927 177.369 176.300 0.236 0.000 1.146 219 D CA 0.092 54.184 54.000 0.152 0.000 0.877 219 D CB 0.737 41.651 40.800 0.190 0.000 1.176 219 D HN 0.223 nan 8.370 nan 0.000 0.461 220 R N 1.241 121.867 120.500 0.210 0.000 2.491 220 R HA 0.259 4.599 4.340 0.000 0.000 0.283 220 R C -0.217 176.188 176.300 0.174 0.000 1.072 220 R CA -0.773 55.434 56.100 0.177 0.000 1.048 220 R CB 0.449 30.825 30.300 0.127 0.000 0.983 220 R HN 0.198 nan 8.270 nan 0.000 0.450 221 L N 4.834 126.087 121.223 0.049 0.000 2.315 221 L HA 0.107 4.447 4.340 0.000 0.000 0.283 221 L C 0.435 177.221 176.870 -0.140 0.000 1.089 221 L CA -0.205 54.474 54.840 -0.267 0.000 0.833 221 L CB 1.430 43.370 42.059 -0.198 0.000 1.170 221 L HN 0.777 nan 8.230 nan 0.000 0.442 222 V N 6.536 126.370 119.914 -0.133 0.000 3.125 222 V HA 0.183 4.303 4.120 0.000 0.000 0.249 222 V C 0.312 176.466 176.094 0.100 0.000 1.113 222 V CA 0.372 62.697 62.300 0.042 0.000 1.106 222 V CB -0.281 31.659 31.823 0.195 0.000 0.768 222 V HN 0.688 nan 8.190 nan 0.000 0.468 223 F N -1.422 118.426 119.950 -0.169 0.000 2.688 223 F HA 0.606 5.133 4.527 0.000 0.000 0.308 223 F C 0.445 176.175 175.800 -0.116 0.000 1.117 223 F CA 0.279 58.202 58.000 -0.130 0.000 0.976 223 F CB 1.572 40.503 39.000 -0.114 0.000 1.291 223 F HN 0.049 nan 8.300 nan 0.000 0.439 224 G N 1.885 110.281 108.800 -0.673 0.000 2.195 224 G HA2 -0.129 3.831 3.960 0.000 0.000 0.224 224 G HA3 -0.129 3.831 3.960 0.000 0.000 0.224 224 G C 0.603 175.465 174.900 -0.063 0.000 0.990 224 G CA 0.292 45.227 45.100 -0.275 0.000 0.639 224 G HN 1.544 nan 8.290 nan 0.000 0.514 225 A N 0.231 122.987 122.820 -0.106 0.000 1.887 225 A HA 0.646 4.966 4.320 0.000 0.000 0.212 225 A C 1.518 179.156 177.584 0.090 0.000 1.198 225 A CA 1.143 53.193 52.037 0.021 0.000 0.628 225 A CB -0.351 18.632 19.000 -0.028 0.000 0.847 225 A HN 1.496 nan 8.150 nan 0.000 0.449 226 I N -2.870 117.651 120.570 -0.082 0.000 2.779 226 I HA 0.231 4.401 4.170 0.000 0.000 0.285 226 I C -1.996 173.881 176.117 -0.401 0.000 1.134 226 I CA -1.634 59.574 61.300 -0.154 0.000 1.398 226 I CB 0.300 38.200 38.000 -0.166 0.000 1.404 226 I HN -0.099 nan 8.210 nan 0.000 0.587 227 P HA -0.248 nan 4.420 nan 0.000 0.216 227 P C 1.444 178.383 177.300 -0.602 0.000 1.157 227 P CA 2.383 64.944 63.100 -0.899 0.000 0.880 227 P CB 0.055 31.513 31.700 -0.403 0.000 0.791 228 A N -0.878 121.749 122.820 -0.321 0.000 2.125 228 A HA -0.207 4.113 4.320 0.000 0.000 0.219 228 A C 1.821 179.326 177.584 -0.133 0.000 1.156 228 A CA 1.426 53.355 52.037 -0.180 0.000 0.671 228 A CB -0.934 17.999 19.000 -0.112 0.000 0.794 228 A HN 0.313 nan 8.150 nan 0.000 0.459 229 Q N -0.986 118.670 119.800 -0.239 0.000 2.194 229 Q HA 0.112 4.452 4.340 0.000 0.000 0.214 229 Q C -0.702 175.336 176.000 0.063 0.000 0.838 229 Q CA -0.249 55.398 55.803 -0.261 0.000 0.972 229 Q CB 0.265 28.397 28.738 -1.010 0.000 1.131 229 Q HN 0.802 nan 8.270 nan 0.000 0.498 230 H N 0.883 119.899 119.070 -0.090 0.000 3.082 230 H HA 0.086 4.642 4.556 0.000 0.000 0.275 230 H C -0.621 174.636 175.328 -0.118 0.000 1.032 230 H CA 0.055 56.076 56.048 -0.045 0.000 1.477 230 H CB 0.272 29.992 29.762 -0.069 0.000 1.520 230 H HN 0.153 nan 8.280 nan 0.000 0.521 231 H N 0.871 120.071 119.070 0.216 0.000 2.895 231 H HA 0.156 4.712 4.556 0.000 0.000 0.373 231 H C 0.890 176.313 175.328 0.159 0.000 1.174 231 H CA -0.879 55.295 56.048 0.209 0.000 1.144 231 H CB 1.601 31.548 29.762 0.309 0.000 1.793 231 H HN 0.497 nan 8.280 nan 0.000 0.551 232 R N 0.911 121.495 120.500 0.141 0.000 2.148 232 R HA 0.019 4.360 4.340 0.000 0.000 0.223 232 R C -0.642 175.538 176.300 -0.199 0.000 1.088 232 R CA 1.219 57.245 56.100 -0.124 0.000 0.985 232 R CB 0.334 30.349 30.300 -0.474 0.000 0.880 232 R HN 0.495 nan 8.270 nan 0.000 0.451 233 Y N -0.152 120.344 120.300 0.327 0.000 2.331 233 Y HA 0.324 4.874 4.550 0.000 0.000 0.326 233 Y C -0.651 175.450 175.900 0.336 0.000 1.020 233 Y CA -1.442 56.855 58.100 0.329 0.000 1.136 233 Y CB 1.980 40.532 38.460 0.154 0.000 1.157 233 Y HN -0.178 nan 8.280 nan 0.000 0.444 234 V N 0.118 120.358 119.914 0.543 0.000 2.823 234 V HA 1.136 5.256 4.120 0.000 0.000 0.312 234 V C -0.270 175.866 176.094 0.071 0.000 1.072 234 V CA -0.652 61.757 62.300 0.181 0.000 0.937 234 V CB 1.792 33.691 31.823 0.126 0.000 1.013 234 V HN 0.894 nan 8.190 nan 0.000 0.430 235 G N 1.389 110.184 108.800 -0.008 0.000 2.642 235 G HA2 0.956 4.916 3.960 0.000 0.000 0.293 235 G HA3 0.956 4.916 3.960 0.000 0.000 0.293 235 G C -1.050 173.812 174.900 -0.065 0.000 1.341 235 G CA -0.458 44.641 45.100 -0.002 0.000 0.916 235 G HN 1.748 nan 8.290 nan 0.000 0.474 236 A N 0.168 122.972 122.820 -0.027 0.000 2.455 236 A HA 0.890 5.210 4.320 0.000 0.000 0.300 236 A C -0.582 176.982 177.584 -0.034 0.000 1.040 236 A CA -0.579 51.402 52.037 -0.093 0.000 0.697 236 A CB 1.957 20.890 19.000 -0.112 0.000 1.265 236 A HN 0.866 nan 8.150 nan 0.000 0.407 237 T N 1.369 115.874 114.554 -0.081 0.000 2.971 237 T HA 0.517 4.867 4.350 0.000 0.000 0.304 237 T C -0.966 173.726 174.700 -0.012 0.000 1.038 237 T CA -0.362 61.741 62.100 0.005 0.000 1.007 237 T CB 1.502 70.386 68.868 0.026 0.000 1.055 237 T HN 0.590 nan 8.240 nan 0.000 0.451 238 V N 3.856 123.817 119.914 0.079 0.000 2.435 238 V HA 0.470 4.590 4.120 0.000 0.000 0.290 238 V C 1.032 177.215 176.094 0.148 0.000 1.030 238 V CA -0.880 61.489 62.300 0.114 0.000 0.881 238 V CB 1.606 33.568 31.823 0.232 0.000 0.983 238 V HN 1.124 nan 8.190 nan 0.000 0.445 239 T N 0.664 115.313 114.554 0.158 0.000 2.906 239 T HA 0.027 4.378 4.350 0.000 0.000 0.320 239 T C 1.147 175.929 174.700 0.137 0.000 1.088 239 T CA 0.219 62.420 62.100 0.167 0.000 1.120 239 T CB 0.722 69.735 68.868 0.242 0.000 1.000 239 T HN 0.824 nan 8.240 nan 0.000 0.550 240 E N 1.014 121.267 120.200 0.089 0.000 2.114 240 E HA -0.265 4.085 4.350 0.000 0.000 0.199 240 E C 1.369 177.989 176.600 0.033 0.000 1.008 240 E CA 1.788 58.186 56.400 -0.004 0.000 0.810 240 E CB -0.146 29.402 29.700 -0.253 0.000 0.739 240 E HN 0.897 nan 8.360 nan 0.000 0.456 241 D N -0.303 120.159 120.400 0.103 0.000 2.319 241 D HA -0.089 4.551 4.640 0.000 0.000 0.230 241 D C -0.228 176.117 176.300 0.074 0.000 1.094 241 D CA 0.373 54.437 54.000 0.107 0.000 0.856 241 D CB -0.164 40.730 40.800 0.156 0.000 0.915 241 D HN 0.089 nan 8.370 nan 0.000 0.517 242 D N 0.336 120.790 120.400 0.090 0.000 2.911 242 D HA -0.248 4.392 4.640 0.000 0.000 0.227 242 D C 0.997 177.294 176.300 -0.005 0.000 1.164 242 D CA 0.619 54.667 54.000 0.080 0.000 0.782 242 D CB -0.964 39.891 40.800 0.091 0.000 1.094 242 D HN 0.478 nan 8.370 nan 0.000 0.425 243 R N -0.798 119.658 120.500 -0.072 0.000 2.206 243 R HA 0.126 4.466 4.340 0.000 0.000 0.198 243 R C 0.095 176.022 176.300 -0.623 0.000 0.986 243 R CA 0.553 56.436 56.100 -0.362 0.000 1.029 243 R CB 0.495 30.497 30.300 -0.498 0.000 0.966 243 R HN -0.032 nan 8.270 nan 0.000 0.487 244 F N 0.399 120.380 119.950 0.052 0.000 2.569 244 F HA 0.330 4.857 4.527 0.000 0.000 0.312 244 F C -0.768 175.027 175.800 -0.008 0.000 1.109 244 F CA -1.307 56.708 58.000 0.025 0.000 0.919 244 F CB 1.749 40.767 39.000 0.030 0.000 1.211 244 F HN -0.223 nan 8.300 nan 0.000 0.446 245 L N 4.590 125.896 121.223 0.137 0.000 2.295 245 L HA 0.630 4.971 4.340 0.000 0.000 0.285 245 L C -1.595 175.253 176.870 -0.037 0.000 1.035 245 L CA -0.411 54.392 54.840 -0.062 0.000 0.806 245 L CB 0.860 42.785 42.059 -0.224 0.000 1.214 245 L HN 0.403 nan 8.230 nan 0.000 0.426 246 L N 7.086 128.257 121.223 -0.086 0.000 2.325 246 L HA 0.505 4.845 4.340 0.000 0.000 0.281 246 L C -0.460 176.326 176.870 -0.139 0.000 1.004 246 L CA -0.201 54.592 54.840 -0.078 0.000 0.823 246 L CB 1.529 43.557 42.059 -0.051 0.000 1.236 246 L HN 0.656 nan 8.230 nan 0.000 0.415 247 I N 2.639 123.121 120.570 -0.147 0.000 2.433 247 I HA 0.332 4.502 4.170 0.000 0.000 0.292 247 I C 0.231 176.215 176.117 -0.222 0.000 1.001 247 I CA -0.341 60.817 61.300 -0.237 0.000 1.119 247 I CB 2.278 40.046 38.000 -0.386 0.000 1.289 247 I HN 0.617 nan 8.210 nan 0.000 0.438 248 S N 4.896 120.467 115.700 -0.216 0.000 2.537 248 S HA 0.913 5.383 4.470 0.000 0.000 0.301 248 S C -0.624 173.864 174.600 -0.187 0.000 1.092 248 S CA -0.684 57.415 58.200 -0.169 0.000 1.048 248 S CB 2.283 65.431 63.200 -0.088 0.000 1.053 248 S HN 0.746 nan 8.310 nan 0.000 0.501 249 A N 1.205 123.927 122.820 -0.163 0.000 2.398 249 A HA 0.950 5.270 4.320 0.000 0.000 0.301 249 A C -0.404 177.195 177.584 0.025 0.000 1.041 249 A CA -0.499 51.422 52.037 -0.194 0.000 0.711 249 A CB 1.241 19.829 19.000 -0.686 0.000 1.240 249 A HN 1.874 nan 8.150 nan 0.000 0.420 250 A N 1.431 124.416 122.820 0.275 0.000 2.587 250 A HA 0.731 5.051 4.320 0.000 0.000 0.293 250 A C -0.237 177.612 177.584 0.442 0.000 1.087 250 A CA -0.533 51.729 52.037 0.375 0.000 0.692 250 A CB 0.874 20.045 19.000 0.285 0.000 1.291 250 A HN 0.810 nan 8.150 nan 0.000 0.407 251 N N -0.702 118.206 118.700 0.347 0.000 2.273 251 N HA 0.209 4.950 4.740 0.000 0.000 0.192 251 N C 0.152 175.814 175.510 0.254 0.000 1.132 251 N CA 0.300 53.478 53.050 0.213 0.000 0.887 251 N CB 0.627 39.208 38.487 0.157 0.000 1.048 251 N HN 0.465 nan 8.380 nan 0.000 0.490 252 S N -1.262 114.647 115.700 0.349 0.000 2.740 252 S HA 0.186 4.656 4.470 0.000 0.000 0.300 252 S C 0.983 175.769 174.600 0.310 0.000 1.147 252 S CA -0.681 57.745 58.200 0.376 0.000 0.871 252 S CB 1.469 64.847 63.200 0.296 0.000 1.173 252 S HN 0.259 nan 8.310 nan 0.000 0.510 253 T N -1.203 113.501 114.554 0.249 0.000 3.118 253 T HA 0.180 4.530 4.350 0.000 0.000 0.260 253 T C 0.425 175.102 174.700 -0.039 0.000 1.139 253 T CA 0.293 62.442 62.100 0.082 0.000 1.085 253 T CB -0.064 68.954 68.868 0.249 0.000 0.934 253 T HN 0.215 nan 8.240 nan 0.000 0.518 254 S N 0.248 115.832 115.700 -0.193 0.000 2.557 254 S HA 0.672 5.142 4.470 0.000 0.000 0.291 254 S C 0.005 174.388 174.600 -0.361 0.000 1.116 254 S CA -0.201 57.752 58.200 -0.411 0.000 0.992 254 S CB 1.429 64.083 63.200 -0.911 0.000 1.028 254 S HN 1.055 nan 8.310 nan 0.000 0.484 255 G N 3.342 112.046 108.800 -0.160 0.000 3.039 255 G HA2 -0.027 3.933 3.960 0.000 0.000 0.686 255 G HA3 -0.027 3.933 3.960 0.000 0.000 0.686 255 G C -1.140 173.782 174.900 0.035 0.000 1.066 255 G CA -0.684 44.396 45.100 -0.033 0.000 0.774 255 G HN 0.953 nan 8.290 nan 0.000 0.591 256 N N 0.857 119.585 118.700 0.046 0.000 2.504 256 N HA 0.489 5.229 4.740 0.000 0.000 0.268 256 N C -0.450 175.070 175.510 0.018 0.000 1.184 256 N CA -1.031 52.050 53.050 0.053 0.000 0.875 256 N CB 1.385 39.885 38.487 0.022 0.000 1.630 256 N HN 0.724 nan 8.380 nan 0.000 0.486 257 R N 0.119 120.617 120.500 -0.004 0.000 2.528 257 R HA 0.607 4.947 4.340 0.000 0.000 0.271 257 R C -0.772 175.361 176.300 -0.279 0.000 1.056 257 R CA -0.754 55.272 56.100 -0.124 0.000 1.117 257 R CB 0.827 31.110 30.300 -0.028 0.000 1.085 257 R HN 0.545 nan 8.270 nan 0.000 0.530 258 L N 1.867 122.788 121.223 -0.505 0.000 2.464 258 L HA 0.430 4.770 4.340 0.000 0.000 0.266 258 L C -1.828 174.628 176.870 -0.691 0.000 0.965 258 L CA -0.500 54.077 54.840 -0.439 0.000 0.833 258 L CB 1.665 43.605 42.059 -0.198 0.000 1.296 258 L HN 0.477 nan 8.230 nan 0.000 0.405 259 Y N 3.189 123.421 120.300 -0.113 0.000 2.536 259 Y HA 0.795 5.345 4.550 0.000 0.000 0.347 259 Y C -0.612 175.239 175.900 -0.080 0.000 1.000 259 Y CA -0.922 57.130 58.100 -0.080 0.000 1.051 259 Y CB 2.320 40.714 38.460 -0.109 0.000 1.259 259 Y HN 0.384 nan 8.280 nan 0.000 0.468 260 V N 2.619 122.606 119.914 0.122 0.000 2.709 260 V HA 0.620 4.740 4.120 0.000 0.000 0.308 260 V C -1.529 174.639 176.094 0.124 0.000 1.062 260 V CA -0.886 61.458 62.300 0.073 0.000 0.901 260 V CB 1.882 33.698 31.823 -0.012 0.000 1.003 260 V HN 0.786 nan 8.190 nan 0.000 0.425 261 K N 4.261 124.747 120.400 0.144 0.000 2.413 261 K HA 0.419 4.739 4.320 0.000 0.000 0.257 261 K C -0.871 175.860 176.600 0.218 0.000 0.946 261 K CA -0.605 55.768 56.287 0.143 0.000 0.823 261 K CB 1.349 33.889 32.500 0.066 0.000 1.109 261 K HN 0.739 nan 8.250 nan 0.000 0.427 262 D N 5.357 125.884 120.400 0.211 0.000 2.359 262 D HA 0.040 4.681 4.640 0.000 0.000 0.250 262 D C 0.828 177.106 176.300 -0.037 0.000 1.264 262 D CA 0.082 54.147 54.000 0.108 0.000 0.911 262 D CB 0.658 41.540 40.800 0.137 0.000 1.056 262 D HN 0.614 nan 8.370 nan 0.000 0.499 263 L N 2.714 123.864 121.223 -0.122 0.000 2.465 263 L HA -0.113 4.227 4.340 0.000 0.000 0.224 263 L C 2.252 179.065 176.870 -0.095 0.000 1.145 263 L CA 0.544 55.335 54.840 -0.082 0.000 0.834 263 L CB -0.323 41.701 42.059 -0.059 0.000 0.944 263 L HN 0.343 nan 8.230 nan 0.000 0.451 264 S N -1.518 114.093 115.700 -0.147 0.000 2.607 264 S HA 0.012 4.482 4.470 0.000 0.000 0.224 264 S C 0.668 175.236 174.600 -0.055 0.000 0.969 264 S CA -0.086 58.051 58.200 -0.104 0.000 0.927 264 S CB -0.107 63.013 63.200 -0.133 0.000 0.772 264 S HN 0.480 nan 8.310 nan 0.000 0.533 265 Q N 0.601 120.377 119.800 -0.040 0.000 2.387 265 Q HA 0.428 4.768 4.340 0.000 0.000 0.273 265 Q C -1.108 174.885 176.000 -0.011 0.000 1.089 265 Q CA -0.727 55.067 55.803 -0.016 0.000 0.824 265 Q CB 1.499 30.237 28.738 -0.001 0.000 1.367 265 Q HN 0.317 nan 8.270 nan 0.000 0.443 266 E N 1.469 121.666 120.200 -0.006 0.000 2.299 266 E HA 0.006 4.357 4.350 0.000 0.000 0.272 266 E C -0.791 175.808 176.600 -0.001 0.000 1.043 266 E CA 0.028 56.425 56.400 -0.006 0.000 0.895 266 E CB 0.050 29.748 29.700 -0.004 0.000 1.011 266 E HN 0.552 nan 8.360 nan 0.000 0.432 267 N N 1.342 120.040 118.700 -0.003 0.000 2.688 267 N HA -0.244 4.496 4.740 0.000 0.000 0.258 267 N C -0.814 174.703 175.510 0.011 0.000 1.016 267 N CA 0.137 53.188 53.050 0.002 0.000 0.747 267 N CB -0.623 37.864 38.487 0.002 0.000 0.895 267 N HN 0.485 nan 8.380 nan 0.000 0.543 268 A N 0.797 123.628 122.820 0.017 0.000 2.386 268 A HA 0.518 4.838 4.320 0.000 0.000 0.248 268 A C -1.330 176.275 177.584 0.036 0.000 1.082 268 A CA -0.771 51.285 52.037 0.031 0.000 0.789 268 A CB 0.370 19.395 19.000 0.042 0.000 1.025 268 A HN 0.253 nan 8.150 nan 0.000 0.490 269 P HA 0.371 nan 4.420 nan 0.000 0.278 269 P C -0.844 176.491 177.300 0.059 0.000 1.266 269 P CA -0.481 62.644 63.100 0.041 0.000 0.807 269 P CB 0.720 32.444 31.700 0.039 0.000 1.094 270 L N 0.990 122.246 121.223 0.055 0.000 2.331 270 L HA 0.219 4.559 4.340 0.000 0.000 0.278 270 L C 0.158 177.103 176.870 0.126 0.000 1.106 270 L CA -0.729 54.160 54.840 0.082 0.000 0.824 270 L CB 0.308 42.386 42.059 0.032 0.000 1.142 270 L HN 0.215 nan 8.230 nan 0.000 0.443 271 L N 2.836 124.154 121.223 0.158 0.000 2.325 271 L HA 0.384 4.724 4.340 0.000 0.000 0.278 271 L C 0.311 177.321 176.870 0.234 0.000 1.023 271 L CA -0.080 54.856 54.840 0.159 0.000 0.811 271 L CB 1.840 43.962 42.059 0.104 0.000 1.249 271 L HN 0.447 nan 8.230 nan 0.000 0.431 272 T N 2.343 117.032 114.554 0.226 0.000 2.737 272 T HA 0.236 4.587 4.350 0.000 0.000 0.296 272 T C 1.402 176.128 174.700 0.044 0.000 0.922 272 T CA -0.407 61.786 62.100 0.155 0.000 1.079 272 T CB 0.897 69.870 68.868 0.176 0.000 0.892 272 T HN 0.351 nan 8.240 nan 0.000 0.514 273 V N 2.560 122.455 119.914 -0.033 0.000 2.725 273 V HA 0.112 4.232 4.120 0.000 0.000 0.247 273 V C 0.909 177.100 176.094 0.162 0.000 1.058 273 V CA 0.976 63.334 62.300 0.097 0.000 1.080 273 V CB -0.200 31.647 31.823 0.039 0.000 0.713 273 V HN 0.836 nan 8.190 nan 0.000 0.465 274 Q N -1.122 118.659 119.800 -0.031 0.000 2.280 274 Q HA 0.463 4.803 4.340 0.000 0.000 0.259 274 Q C 0.201 176.115 176.000 -0.143 0.000 0.964 274 Q CA 0.230 56.016 55.803 -0.027 0.000 0.844 274 Q CB 1.942 30.735 28.738 0.091 0.000 1.334 274 Q HN 0.262 nan 8.270 nan 0.000 0.423 275 G N 2.522 111.285 108.800 -0.061 0.000 3.126 275 G HA2 0.100 4.060 3.960 0.000 0.000 0.224 275 G HA3 0.100 4.060 3.960 0.000 0.000 0.224 275 G C -0.211 174.725 174.900 0.060 0.000 1.142 275 G CA 0.388 45.494 45.100 0.010 0.000 0.759 275 G HN 0.696 nan 8.290 nan 0.000 0.550 276 D N -0.997 119.423 120.400 0.034 0.000 2.414 276 D HA 0.428 5.068 4.640 0.000 0.000 0.241 276 D C 0.543 176.889 176.300 0.076 0.000 1.008 276 D CA -0.932 53.104 54.000 0.061 0.000 1.001 276 D CB 1.252 42.071 40.800 0.031 0.000 1.277 276 D HN -0.090 nan 8.370 nan 0.000 0.538 277 L N 0.253 121.537 121.223 0.101 0.000 2.791 277 L HA 0.221 4.561 4.340 0.000 0.000 0.239 277 L C 0.349 177.285 176.870 0.109 0.000 1.203 277 L CA -0.111 54.799 54.840 0.116 0.000 1.002 277 L CB -0.096 42.055 42.059 0.154 0.000 1.295 277 L HN 0.356 nan 8.230 nan 0.000 0.504 278 D N 1.147 121.598 120.400 0.085 0.000 2.349 278 D HA 0.188 4.828 4.640 0.000 0.000 0.224 278 D C 0.783 177.135 176.300 0.086 0.000 1.029 278 D CA 0.420 54.471 54.000 0.086 0.000 0.879 278 D CB 0.686 41.516 40.800 0.049 0.000 0.906 278 D HN 0.339 nan 8.370 nan 0.000 0.528 279 A N 0.215 123.083 122.820 0.080 0.000 2.612 279 A HA 0.413 4.733 4.320 0.000 0.000 0.293 279 A C -1.590 176.035 177.584 0.068 0.000 1.075 279 A CA -0.852 51.236 52.037 0.084 0.000 0.680 279 A CB 1.479 20.545 19.000 0.110 0.000 1.279 279 A HN -0.212 nan 8.150 nan 0.000 0.411 280 D N 0.574 121.004 120.400 0.049 0.000 2.210 280 D HA 0.486 5.126 4.640 0.000 0.000 0.249 280 D C -0.887 175.426 176.300 0.022 0.000 1.078 280 D CA 0.071 54.082 54.000 0.018 0.000 0.875 280 D CB 2.058 42.852 40.800 -0.010 0.000 1.175 280 D HN 0.579 nan 8.370 nan 0.000 0.440 281 V N 1.110 121.021 119.914 -0.006 0.000 2.777 281 V HA 0.575 4.695 4.120 0.000 0.000 0.306 281 V C -1.253 174.784 176.094 -0.095 0.000 1.112 281 V CA -0.331 61.930 62.300 -0.065 0.000 0.917 281 V CB 1.814 33.615 31.823 -0.036 0.000 1.018 281 V HN 0.731 nan 8.190 nan 0.000 0.426 282 S N 6.140 121.767 115.700 -0.122 0.000 2.569 282 S HA 0.773 5.243 4.470 0.000 0.000 0.280 282 S C -1.044 173.491 174.600 -0.108 0.000 1.111 282 S CA -0.778 57.364 58.200 -0.096 0.000 0.887 282 S CB 1.802 64.966 63.200 -0.060 0.000 1.095 282 S HN 1.275 nan 8.310 nan 0.000 0.476 283 L N 2.485 123.662 121.223 -0.076 0.000 2.397 283 L HA 0.544 4.885 4.340 0.000 0.000 0.271 283 L C 0.319 177.184 176.870 -0.009 0.000 1.148 283 L CA 0.401 55.210 54.840 -0.052 0.000 0.825 283 L CB 1.047 43.090 42.059 -0.027 0.000 1.117 283 L HN 0.711 nan 8.230 nan 0.000 0.456 284 V N 2.127 122.049 119.914 0.014 0.000 3.013 284 V HA 0.378 4.498 4.120 0.000 0.000 0.238 284 V C -0.036 176.105 176.094 0.078 0.000 1.161 284 V CA 0.753 63.076 62.300 0.040 0.000 1.170 284 V CB 0.299 32.129 31.823 0.012 0.000 0.917 284 V HN 0.948 nan 8.190 nan 0.000 0.478 285 D N -1.304 119.159 120.400 0.105 0.000 2.890 285 D HA 0.175 4.816 4.640 0.000 0.000 0.306 285 D C -1.937 174.496 176.300 0.221 0.000 1.280 285 D CA -0.393 53.708 54.000 0.168 0.000 0.742 285 D CB 0.747 41.668 40.800 0.201 0.000 1.266 285 D HN 0.262 nan 8.370 nan 0.000 0.433 286 N N 0.471 119.332 118.700 0.268 0.000 2.509 286 N HA 0.515 5.255 4.740 0.000 0.000 0.280 286 N C -1.361 174.304 175.510 0.258 0.000 1.306 286 N CA -0.714 52.535 53.050 0.332 0.000 0.782 286 N CB 2.544 41.247 38.487 0.360 0.000 1.493 286 N HN 0.364 nan 8.380 nan 0.000 0.498 287 K N 0.365 120.950 120.400 0.310 0.000 2.716 287 K HA 0.402 4.722 4.320 0.000 0.000 0.249 287 K C 0.173 176.892 176.600 0.198 0.000 1.004 287 K CA 0.196 56.577 56.287 0.157 0.000 0.968 287 K CB 0.234 32.833 32.500 0.166 0.000 1.214 287 K HN 0.950 nan 8.250 nan 0.000 0.476 288 G N 2.065 110.959 108.800 0.156 0.000 2.531 288 G HA2 -0.366 3.594 3.960 0.000 0.000 0.274 288 G HA3 -0.366 3.594 3.960 0.000 0.000 0.274 288 G C 0.395 175.468 174.900 0.290 0.000 1.159 288 G CA 0.401 45.597 45.100 0.161 0.000 0.969 288 G HN 0.923 nan 8.290 nan 0.000 0.554 289 S N -0.512 115.340 115.700 0.253 0.000 2.605 289 S HA 0.437 4.908 4.470 0.000 0.000 0.217 289 S C 0.711 175.383 174.600 0.120 0.000 0.958 289 S CA 1.176 59.570 58.200 0.324 0.000 0.919 289 S CB 0.251 63.590 63.200 0.232 0.000 0.780 289 S HN 0.971 nan 8.310 nan 0.000 0.507 290 T N 3.441 118.071 114.554 0.126 0.000 2.771 290 T HA 0.524 4.874 4.350 0.000 0.000 0.291 290 T C -0.207 174.517 174.700 0.040 0.000 0.954 290 T CA -0.488 61.628 62.100 0.027 0.000 1.045 290 T CB 0.872 69.770 68.868 0.050 0.000 0.917 290 T HN 0.263 nan 8.240 nan 0.000 0.484 291 L N 3.199 124.337 121.223 -0.142 0.000 2.325 291 L HA 0.492 4.832 4.340 0.000 0.000 0.279 291 L C -0.729 176.055 176.870 -0.142 0.000 1.054 291 L CA -1.034 53.745 54.840 -0.101 0.000 0.804 291 L CB 0.738 42.643 42.059 -0.256 0.000 1.200 291 L HN 0.651 nan 8.230 nan 0.000 0.436 292 Y N 3.404 123.614 120.300 -0.150 0.000 2.356 292 Y HA 0.539 5.090 4.550 0.000 0.000 0.334 292 Y C -0.304 175.459 175.900 -0.229 0.000 0.958 292 Y CA -0.668 57.321 58.100 -0.186 0.000 1.196 292 Y CB 1.215 39.575 38.460 -0.166 0.000 1.137 292 Y HN 0.305 nan 8.280 nan 0.000 0.485 293 L N 4.934 126.003 121.223 -0.257 0.000 2.346 293 L HA 0.502 4.842 4.340 0.000 0.000 0.276 293 L C -0.908 175.783 176.870 -0.299 0.000 1.006 293 L CA -1.144 53.503 54.840 -0.321 0.000 0.817 293 L CB 1.715 43.432 42.059 -0.570 0.000 1.272 293 L HN 0.434 nan 8.230 nan 0.000 0.421 294 L N 2.255 123.350 121.223 -0.213 0.000 2.292 294 L HA 0.712 5.052 4.340 0.000 0.000 0.284 294 L C -0.094 176.674 176.870 -0.170 0.000 1.065 294 L CA 0.785 55.523 54.840 -0.170 0.000 0.806 294 L CB 1.491 43.480 42.059 -0.118 0.000 1.175 294 L HN 0.716 nan 8.230 nan 0.000 0.431 295 T N 2.586 117.060 114.554 -0.132 0.000 2.889 295 T HA 0.373 4.723 4.350 0.000 0.000 0.315 295 T C 0.036 174.743 174.700 0.012 0.000 1.291 295 T CA -0.335 61.730 62.100 -0.059 0.000 1.028 295 T CB 1.026 69.857 68.868 -0.062 0.000 1.235 295 T HN 0.772 nan 8.240 nan 0.000 0.491 296 N N 1.882 120.612 118.700 0.051 0.000 2.203 296 N HA 0.108 4.849 4.740 0.000 0.000 0.207 296 N C 0.394 175.959 175.510 0.093 0.000 1.130 296 N CA -0.418 52.669 53.050 0.063 0.000 0.861 296 N CB 0.001 38.524 38.487 0.059 0.000 1.005 296 N HN 0.455 nan 8.380 nan 0.000 0.507 297 R N 1.389 121.976 120.500 0.144 0.000 2.484 297 R HA -0.024 4.316 4.340 0.000 0.000 0.293 297 R C -0.379 175.985 176.300 0.107 0.000 1.023 297 R CA 0.341 56.527 56.100 0.143 0.000 1.037 297 R CB 0.043 30.484 30.300 0.236 0.000 0.951 297 R HN 0.120 nan 8.270 nan 0.000 0.418 298 D N 0.958 121.392 120.400 0.057 0.000 3.018 298 D HA -0.243 4.397 4.640 0.000 0.000 0.224 298 D C -0.952 175.375 176.300 0.045 0.000 1.185 298 D CA 1.732 55.755 54.000 0.037 0.000 0.858 298 D CB -0.735 40.077 40.800 0.020 0.000 1.112 298 D HN 0.599 nan 8.370 nan 0.000 0.415 299 A N -0.918 121.936 122.820 0.057 0.000 2.768 299 A HA 0.536 4.856 4.320 0.000 0.000 0.299 299 A C -1.965 175.652 177.584 0.055 0.000 1.171 299 A CA -1.023 51.044 52.037 0.050 0.000 0.759 299 A CB 1.414 20.442 19.000 0.047 0.000 1.267 299 A HN -0.216 nan 8.150 nan 0.000 0.421 300 P HA -0.150 nan 4.420 nan 0.000 0.217 300 P C 0.823 178.168 177.300 0.075 0.000 1.148 300 P CA 1.387 64.531 63.100 0.074 0.000 0.828 300 P CB 0.276 32.021 31.700 0.076 0.000 0.783 301 N N -1.303 117.434 118.700 0.062 0.000 2.270 301 N HA 0.108 4.849 4.740 0.000 0.000 0.198 301 N C -0.280 175.253 175.510 0.039 0.000 1.117 301 N CA 0.080 53.164 53.050 0.057 0.000 0.845 301 N CB 0.051 38.577 38.487 0.066 0.000 0.980 301 N HN 0.081 nan 8.380 nan 0.000 0.486 302 R N 0.107 120.626 120.500 0.031 0.000 3.337 302 R HA -0.181 4.159 4.340 0.000 0.000 0.490 302 R C -0.414 175.883 176.300 -0.005 0.000 0.830 302 R CA 0.518 56.621 56.100 0.006 0.000 1.485 302 R CB -0.414 29.872 30.300 -0.024 0.000 2.108 302 R HN 0.430 nan 8.270 nan 0.000 0.519 303 R N 0.039 120.520 120.500 -0.032 0.000 2.781 303 R HA 0.749 5.089 4.340 0.000 0.000 0.269 303 R C -1.641 174.593 176.300 -0.110 0.000 1.025 303 R CA -1.195 54.872 56.100 -0.055 0.000 0.914 303 R CB 1.114 31.399 30.300 -0.024 0.000 1.236 303 R HN 0.316 nan 8.270 nan 0.000 0.465 304 L N 1.917 123.053 121.223 -0.145 0.000 2.305 304 L HA 0.602 4.942 4.340 0.000 0.000 0.284 304 L C -0.751 176.002 176.870 -0.194 0.000 1.013 304 L CA -0.545 54.184 54.840 -0.185 0.000 0.819 304 L CB 1.871 43.809 42.059 -0.202 0.000 1.227 304 L HN 0.650 nan 8.230 nan 0.000 0.417 305 V N 1.214 120.976 119.914 -0.254 0.000 3.046 305 V HA 0.953 5.073 4.120 0.000 0.000 0.316 305 V C -0.237 175.625 176.094 -0.386 0.000 1.104 305 V CA -0.046 62.096 62.300 -0.263 0.000 1.006 305 V CB 1.815 33.514 31.823 -0.207 0.000 1.058 305 V HN 0.874 nan 8.190 nan 0.000 0.440 306 T N -0.583 113.758 114.554 -0.355 0.000 2.916 306 T HA 0.856 5.206 4.350 0.000 0.000 0.292 306 T C -0.866 173.675 174.700 -0.265 0.000 1.055 306 T CA -0.693 61.128 62.100 -0.466 0.000 1.009 306 T CB 1.688 70.190 68.868 -0.609 0.000 1.118 306 T HN 1.818 nan 8.240 nan 0.000 0.497 307 V N 0.839 120.609 119.914 -0.241 0.000 3.036 307 V HA 0.391 4.511 4.120 0.000 0.000 0.288 307 V C -1.733 174.302 176.094 -0.098 0.000 1.407 307 V CA -0.877 61.379 62.300 -0.074 0.000 0.983 307 V CB 2.162 34.039 31.823 0.090 0.000 1.128 307 V HN 1.202 nan 8.190 nan 0.000 0.439 308 D N 4.360 124.729 120.400 -0.052 0.000 2.371 308 D HA 0.354 4.994 4.640 0.000 0.000 0.256 308 D C 1.083 177.336 176.300 -0.079 0.000 1.193 308 D CA 0.636 54.601 54.000 -0.057 0.000 0.881 308 D CB 2.007 42.788 40.800 -0.030 0.000 1.143 308 D HN 0.820 nan 8.370 nan 0.000 0.473 309 A N 3.965 126.695 122.820 -0.150 0.000 2.131 309 A HA -0.082 4.238 4.320 0.000 0.000 0.220 309 A C 1.972 179.526 177.584 -0.049 0.000 1.158 309 A CA 1.753 53.662 52.037 -0.213 0.000 0.665 309 A CB -0.346 18.280 19.000 -0.624 0.000 0.795 309 A HN 0.643 nan 8.150 nan 0.000 0.460 310 A N -1.237 121.584 122.820 0.002 0.000 2.167 310 A HA 0.096 4.416 4.320 0.000 0.000 0.214 310 A C 1.014 178.589 177.584 -0.015 0.000 1.151 310 A CA 1.161 53.213 52.037 0.025 0.000 0.735 310 A CB -0.141 18.880 19.000 0.035 0.000 0.802 310 A HN 0.435 nan 8.150 nan 0.000 0.467 311 N N -1.060 117.609 118.700 -0.052 0.000 2.700 311 N HA 0.148 4.888 4.740 0.000 0.000 0.242 311 N C -2.637 172.830 175.510 -0.071 0.000 1.541 311 N CA -1.014 51.967 53.050 -0.115 0.000 0.764 311 N CB 1.041 39.379 38.487 -0.250 0.000 1.319 311 N HN 0.022 nan 8.380 nan 0.000 0.518 312 P HA 0.147 nan 4.420 nan 0.000 0.249 312 P C 0.759 178.243 177.300 0.306 0.000 1.241 312 P CA 0.078 63.271 63.100 0.154 0.000 0.781 312 P CB -0.177 31.569 31.700 0.076 0.000 1.088 313 G N 2.244 111.197 108.800 0.254 0.000 2.484 313 G HA2 0.047 4.008 3.960 0.000 0.000 0.235 313 G HA3 0.047 4.008 3.960 0.000 0.000 0.235 313 G C -1.555 173.217 174.900 -0.213 0.000 1.282 313 G CA -0.777 44.398 45.100 0.126 0.000 0.857 313 G HN 0.036 nan 8.290 nan 0.000 0.571 314 P HA -0.172 nan 4.420 nan 0.000 0.217 314 P C 1.978 178.663 177.300 -1.024 0.000 1.148 314 P CA 1.971 64.005 63.100 -1.775 0.000 0.828 314 P CB 0.215 31.115 31.700 -1.332 0.000 0.783 315 A N -1.379 121.045 122.820 -0.660 0.000 2.121 315 A HA -0.178 4.143 4.320 0.000 0.000 0.218 315 A C 1.382 178.642 177.584 -0.540 0.000 1.154 315 A CA 1.372 53.070 52.037 -0.565 0.000 0.679 315 A CB -1.438 17.213 19.000 -0.582 0.000 0.795 315 A HN 0.340 nan 8.150 nan 0.000 0.458 316 H N -3.186 115.788 119.070 -0.160 0.000 2.622 316 H HA 0.090 4.646 4.556 0.000 0.000 0.269 316 H C -0.251 175.156 175.328 0.133 0.000 0.977 316 H CA -0.513 55.530 56.048 -0.008 0.000 1.179 316 H CB 0.131 29.906 29.762 0.021 0.000 1.458 316 H HN 0.537 nan 8.280 nan 0.000 0.531 317 W N 2.399 123.699 121.300 0.001 0.000 2.193 317 W HA 0.213 4.873 4.660 0.000 0.000 0.338 317 W C 0.799 177.286 176.519 -0.053 0.000 1.310 317 W CA -0.493 56.827 57.345 -0.042 0.000 1.243 317 W CB 0.035 29.458 29.460 -0.062 0.000 1.165 317 W HN 0.087 nan 8.180 nan 0.000 0.566 318 R N 2.478 123.064 120.500 0.144 0.000 2.575 318 R HA 0.212 4.552 4.340 0.000 0.000 0.293 318 R C -0.951 175.336 176.300 -0.021 0.000 0.983 318 R CA -0.743 55.384 56.100 0.045 0.000 0.887 318 R CB 1.055 31.361 30.300 0.010 0.000 1.184 318 R HN 0.270 nan 8.270 nan 0.000 0.445 319 D N 3.589 123.979 120.400 -0.016 0.000 2.488 319 D HA -0.018 4.623 4.640 0.000 0.000 0.238 319 D C 0.609 176.854 176.300 -0.092 0.000 1.138 319 D CA 0.219 54.187 54.000 -0.053 0.000 0.873 319 D CB 1.278 42.058 40.800 -0.033 0.000 1.183 319 D HN 0.438 nan 8.370 nan 0.000 0.458 320 L N 2.762 123.902 121.223 -0.138 0.000 2.526 320 L HA 0.340 4.680 4.340 0.000 0.000 0.210 320 L C 0.218 176.969 176.870 -0.198 0.000 1.048 320 L CA 0.670 55.418 54.840 -0.153 0.000 0.852 320 L CB 0.491 42.441 42.059 -0.182 0.000 1.128 320 L HN 0.360 nan 8.230 nan 0.000 0.482 321 I N 1.533 121.962 120.570 -0.235 0.000 2.495 321 I HA 0.325 4.495 4.170 0.000 0.000 0.277 321 I C -2.275 173.754 176.117 -0.148 0.000 1.045 321 I CA -1.842 59.278 61.300 -0.300 0.000 1.135 321 I CB 1.306 39.038 38.000 -0.447 0.000 1.241 321 I HN 0.014 nan 8.210 nan 0.000 0.469 322 P HA -0.016 nan 4.420 nan 0.000 0.270 322 P C -0.164 177.134 177.300 -0.005 0.000 1.227 322 P CA -0.172 62.907 63.100 -0.035 0.000 0.788 322 P CB 0.611 32.299 31.700 -0.020 0.000 0.926 323 E N 1.901 122.106 120.200 0.009 0.000 2.398 323 E HA 0.044 4.394 4.350 0.000 0.000 0.263 323 E C -0.140 176.477 176.600 0.029 0.000 1.046 323 E CA -0.122 56.297 56.400 0.032 0.000 0.908 323 E CB 0.418 30.135 29.700 0.028 0.000 0.963 323 E HN 0.261 nan 8.360 nan 0.000 0.431 324 R N 2.372 122.900 120.500 0.047 0.000 3.076 324 R HA 0.205 4.545 4.340 0.000 0.000 0.239 324 R C 0.864 177.163 176.300 -0.001 0.000 1.392 324 R CA -0.875 55.215 56.100 -0.016 0.000 1.044 324 R CB 0.059 30.282 30.300 -0.128 0.000 1.389 324 R HN 0.513 nan 8.270 nan 0.000 0.498 325 Q N 0.604 120.385 119.800 -0.033 0.000 2.369 325 Q HA -0.015 4.325 4.340 0.000 0.000 0.206 325 Q C -0.139 175.874 176.000 0.023 0.000 0.963 325 Q CA 1.313 57.113 55.803 -0.005 0.000 0.894 325 Q CB 0.166 28.890 28.738 -0.024 0.000 0.965 325 Q HN 0.365 nan 8.270 nan 0.000 0.475 326 Q N -0.688 119.120 119.800 0.014 0.000 2.257 326 Q HA 0.359 4.699 4.340 0.000 0.000 0.262 326 Q C -0.675 175.415 176.000 0.151 0.000 0.997 326 Q CA -0.476 55.365 55.803 0.063 0.000 0.873 326 Q CB 2.018 30.785 28.738 0.048 0.000 1.312 326 Q HN -0.146 nan 8.270 nan 0.000 0.450 327 V N 2.406 122.364 119.914 0.074 0.000 2.599 327 V HA 0.044 4.164 4.120 0.000 0.000 0.300 327 V C -0.256 175.856 176.094 0.030 0.000 1.034 327 V CA -0.072 62.249 62.300 0.036 0.000 1.115 327 V CB 0.199 31.994 31.823 -0.047 0.000 0.934 327 V HN 0.598 nan 8.190 nan 0.000 0.485 328 L N 5.694 126.885 121.223 -0.054 0.000 2.325 328 L HA 0.796 5.136 4.340 0.000 0.000 0.278 328 L C -0.058 176.652 176.870 -0.268 0.000 1.023 328 L CA 0.633 55.299 54.840 -0.290 0.000 0.811 328 L CB 2.198 44.116 42.059 -0.236 0.000 1.249 328 L HN 0.736 nan 8.230 nan 0.000 0.431 329 T N 3.678 118.013 114.554 -0.365 0.000 2.912 329 T HA 0.666 5.016 4.350 0.000 0.000 0.299 329 T C -1.253 173.227 174.700 -0.368 0.000 1.052 329 T CA -0.482 61.437 62.100 -0.302 0.000 0.996 329 T CB 1.836 70.529 68.868 -0.290 0.000 1.070 329 T HN 0.383 nan 8.240 nan 0.000 0.465 330 V N 3.589 123.340 119.914 -0.272 0.000 2.588 330 V HA 0.532 4.652 4.120 0.000 0.000 0.304 330 V C -0.990 175.104 176.094 0.000 0.000 1.042 330 V CA -0.867 61.315 62.300 -0.197 0.000 0.877 330 V CB 1.720 33.453 31.823 -0.150 0.000 0.996 330 V HN 0.836 nan 8.190 nan 0.000 0.425 331 H N 1.671 120.771 119.070 0.051 0.000 2.569 331 H HA 0.770 5.326 4.556 0.000 0.000 0.357 331 H C -0.050 175.418 175.328 0.233 0.000 1.153 331 H CA -0.836 55.293 56.048 0.136 0.000 1.193 331 H CB 2.198 32.067 29.762 0.178 0.000 1.602 331 H HN 0.746 nan 8.280 nan 0.000 0.523 332 S N 0.917 116.830 115.700 0.356 0.000 2.568 332 S HA 0.890 5.360 4.470 0.000 0.000 0.302 332 S C 0.042 174.911 174.600 0.448 0.000 1.082 332 S CA -0.474 57.949 58.200 0.372 0.000 1.009 332 S CB 2.336 65.687 63.200 0.252 0.000 1.069 332 S HN 0.946 nan 8.310 nan 0.000 0.500 333 G N -0.123 109.019 108.800 0.570 0.000 2.633 333 G HA2 0.487 4.447 3.960 0.000 0.000 0.299 333 G HA3 0.487 4.447 3.960 0.000 0.000 0.299 333 G C -0.169 175.076 174.900 0.574 0.000 1.501 333 G CA -0.208 45.201 45.100 0.515 0.000 0.887 333 G HN 1.532 nan 8.290 nan 0.000 0.561 334 S N -0.930 115.008 115.700 0.397 0.000 3.402 334 S HA -0.080 4.390 4.470 0.000 0.000 0.329 334 S C 1.900 176.586 174.600 0.143 0.000 1.194 334 S CA 2.356 60.751 58.200 0.325 0.000 0.951 334 S CB -1.269 62.203 63.200 0.454 0.000 0.975 334 S HN 2.902 nan 8.310 nan 0.000 0.574 335 G N -1.283 107.559 108.800 0.070 0.000 2.132 335 G HA2 -0.268 3.692 3.960 0.000 0.000 0.228 335 G HA3 -0.268 3.692 3.960 0.000 0.000 0.228 335 G C -0.361 174.338 174.900 -0.335 0.000 1.000 335 G CA 0.278 45.198 45.100 -0.300 0.000 0.693 335 G HN 0.712 nan 8.290 nan 0.000 0.515 336 Y N -1.399 119.103 120.300 0.335 0.000 2.581 336 Y HA 0.714 5.264 4.550 0.000 0.000 0.345 336 Y C 0.348 176.211 175.900 -0.062 0.000 1.036 336 Y CA -1.226 56.937 58.100 0.105 0.000 1.042 336 Y CB 1.530 39.888 38.460 -0.172 0.000 1.289 336 Y HN 0.109 nan 8.280 nan 0.000 0.471 337 L N 2.546 123.685 121.223 -0.140 0.000 2.307 337 L HA 0.524 4.864 4.340 0.000 0.000 0.284 337 L C -1.389 175.252 176.870 -0.382 0.000 1.023 337 L CA -0.507 54.202 54.840 -0.219 0.000 0.810 337 L CB 0.996 42.890 42.059 -0.276 0.000 1.231 337 L HN 0.447 nan 8.230 nan 0.000 0.423 338 F N 1.967 121.942 119.950 0.043 0.000 2.375 338 F HA 0.530 5.057 4.527 0.000 0.000 0.361 338 F C 0.490 176.185 175.800 -0.174 0.000 1.117 338 F CA -0.606 57.337 58.000 -0.094 0.000 1.037 338 F CB 1.613 40.492 39.000 -0.203 0.000 1.192 338 F HN 0.432 nan 8.300 nan 0.000 0.452 339 A N 3.440 126.245 122.820 -0.025 0.000 2.269 339 A HA 0.391 4.711 4.320 0.000 0.000 0.302 339 A C -0.120 177.253 177.584 -0.352 0.000 1.266 339 A CA -0.433 51.471 52.037 -0.222 0.000 0.894 339 A CB 0.294 19.226 19.000 -0.114 0.000 1.147 339 A HN 0.675 nan 8.150 nan 0.000 0.537 340 E N 2.472 122.388 120.200 -0.474 0.000 2.156 340 E HA 0.474 4.824 4.350 0.000 0.000 0.279 340 E C -1.375 174.928 176.600 -0.496 0.000 0.965 340 E CA -0.149 56.020 56.400 -0.386 0.000 0.789 340 E CB 0.816 30.325 29.700 -0.317 0.000 1.098 340 E HN 0.650 nan 8.360 nan 0.000 0.397 344 D N 4.146 124.526 120.400 -0.034 0.000 2.735 344 D HA -0.248 4.392 4.640 0.000 0.000 0.235 344 D C 1.207 177.473 176.300 -0.055 0.000 1.175 344 D CA 1.821 55.830 54.000 0.015 0.000 0.683 344 D CB -0.671 40.276 40.800 0.245 0.000 1.008 344 D HN 1.830 nan 8.370 nan 0.000 0.416 345 A N -1.819 120.901 122.820 -0.167 0.000 3.396 345 A HA -0.266 4.054 4.320 0.000 0.000 0.267 345 A C 0.991 178.534 177.584 -0.068 0.000 1.139 345 A CA 2.336 54.302 52.037 -0.118 0.000 1.115 345 A CB -2.163 16.796 19.000 -0.068 0.000 1.133 345 A HN 1.130 nan 8.150 nan 0.000 0.920 346 T N -2.496 112.036 114.554 -0.037 0.000 2.940 346 T HA 0.875 5.225 4.350 0.000 0.000 0.288 346 T C 0.033 174.735 174.700 0.004 0.000 1.033 346 T CA 0.125 62.221 62.100 -0.007 0.000 1.033 346 T CB 1.889 70.779 68.868 0.037 0.000 1.079 346 T HN 1.976 nan 8.240 nan 0.000 0.496 347 A N 2.039 124.876 122.820 0.028 0.000 2.279 347 A HA 0.858 5.178 4.320 0.000 0.000 0.303 347 A C -0.036 177.567 177.584 0.032 0.000 1.108 347 A CA -0.916 51.136 52.037 0.025 0.000 0.830 347 A CB 0.522 19.538 19.000 0.026 0.000 1.106 347 A HN 0.779 nan 8.150 nan 0.000 0.493 348 R N -0.021 120.485 120.500 0.011 0.000 2.626 348 R HA 0.578 4.918 4.340 0.000 0.000 0.274 348 R C -1.938 174.335 176.300 -0.044 0.000 1.031 348 R CA -0.570 55.529 56.100 -0.002 0.000 0.898 348 R CB 1.624 31.953 30.300 0.047 0.000 1.222 348 R HN 0.466 nan 8.270 nan 0.000 0.455 349 V N 1.862 121.696 119.914 -0.133 0.000 2.656 349 V HA 0.474 4.594 4.120 0.000 0.000 0.307 349 V C -0.326 175.661 176.094 -0.177 0.000 1.051 349 V CA -0.805 61.347 62.300 -0.246 0.000 0.893 349 V CB 2.542 34.004 31.823 -0.601 0.000 0.999 349 V HN 0.628 nan 8.190 nan 0.000 0.426 350 E N 2.446 122.590 120.200 -0.093 0.000 2.248 350 E HA 0.442 4.792 4.350 0.000 0.000 0.267 350 E C -1.153 175.350 176.600 -0.161 0.000 0.877 350 E CA -0.664 55.671 56.400 -0.108 0.000 0.759 350 E CB 2.896 32.617 29.700 0.035 0.000 1.182 350 E HN 0.673 nan 8.360 nan 0.000 0.418 351 Q N 3.186 122.799 119.800 -0.313 0.000 2.290 351 Q HA 0.413 4.753 4.340 0.000 0.000 0.259 351 Q C -1.550 174.152 176.000 -0.498 0.000 0.941 351 Q CA -0.351 55.211 55.803 -0.403 0.000 0.912 351 Q CB 0.656 29.229 28.738 -0.275 0.000 1.244 351 Q HN 0.385 nan 8.270 nan 0.000 0.441 352 F N 1.834 121.622 119.950 -0.270 0.000 2.577 352 F HA 0.295 4.822 4.527 0.000 0.000 0.318 352 F C 0.005 175.816 175.800 0.020 0.000 1.065 352 F CA -0.762 57.176 58.000 -0.103 0.000 0.929 352 F CB 1.570 40.508 39.000 -0.104 0.000 1.237 352 F HN 0.649 nan 8.300 nan 0.000 0.468 353 D N -0.401 120.189 120.400 0.318 0.000 2.432 353 D HA 0.112 4.752 4.640 0.000 0.000 0.258 353 D C 0.202 176.658 176.300 0.260 0.000 1.146 353 D CA -0.385 53.811 54.000 0.326 0.000 1.015 353 D CB 0.301 41.260 40.800 0.264 0.000 1.107 353 D HN 0.432 nan 8.370 nan 0.000 0.529 354 Y N -0.994 119.315 120.300 0.015 0.000 2.680 354 Y HA 0.047 4.597 4.550 0.000 0.000 0.303 354 Y C 1.195 177.200 175.900 0.174 0.000 1.166 354 Y CA 0.654 58.774 58.100 0.032 0.000 1.344 354 Y CB -0.152 38.226 38.460 -0.137 0.000 1.002 354 Y HN 0.415 nan 8.280 nan 0.000 0.537 355 E N -1.167 119.179 120.200 0.243 0.000 2.463 355 E HA 0.231 4.581 4.350 0.000 0.000 0.193 355 E C 1.769 178.451 176.600 0.136 0.000 1.041 355 E CA 0.545 57.049 56.400 0.174 0.000 0.879 355 E CB 0.098 29.876 29.700 0.131 0.000 0.997 355 E HN 0.310 nan 8.360 nan 0.000 0.478 356 G N 0.972 109.861 108.800 0.149 0.000 2.179 356 G HA2 -0.349 3.611 3.960 0.000 0.000 0.260 356 G HA3 -0.349 3.611 3.960 0.000 0.000 0.260 356 G C 0.137 175.201 174.900 0.274 0.000 0.977 356 G CA 0.189 45.358 45.100 0.116 0.000 0.641 356 G HN 0.240 nan 8.290 nan 0.000 0.533 357 K N 0.391 120.944 120.400 0.254 0.000 2.322 357 K HA 0.383 4.703 4.320 0.000 0.000 0.283 357 K C 0.634 177.367 176.600 0.221 0.000 1.042 357 K CA -0.614 55.802 56.287 0.215 0.000 0.958 357 K CB 0.987 33.563 32.500 0.126 0.000 0.984 357 K HN 0.269 nan 8.250 nan 0.000 0.473 358 R N 2.811 123.341 120.500 0.050 0.000 2.267 358 R HA 0.043 4.383 4.340 0.000 0.000 0.319 358 R C 0.633 176.761 176.300 -0.285 0.000 1.067 358 R CA -0.202 55.629 56.100 -0.449 0.000 0.936 358 R CB 0.491 30.482 30.300 -0.515 0.000 1.006 358 R HN 0.490 nan 8.270 nan 0.000 0.452 359 V N 5.181 124.906 119.914 -0.315 0.000 2.302 359 V HA -0.016 4.104 4.120 0.000 0.000 0.243 359 V C 0.817 176.797 176.094 -0.189 0.000 1.036 359 V CA 1.627 63.814 62.300 -0.187 0.000 1.020 359 V CB -0.739 30.967 31.823 -0.196 0.000 0.657 359 V HN 0.919 nan 8.190 nan 0.000 0.453 360 R N 0.313 120.663 120.500 -0.249 0.000 2.780 360 R HA 0.481 4.822 4.340 0.000 0.000 0.280 360 R C -1.468 174.714 176.300 -0.196 0.000 1.016 360 R CA -0.817 55.179 56.100 -0.173 0.000 0.854 360 R CB 1.326 31.576 30.300 -0.084 0.000 1.293 360 R HN 0.086 nan 8.270 nan 0.000 0.483 361 E N 1.168 121.289 120.200 -0.132 0.000 2.133 361 E HA 0.354 4.704 4.350 0.000 0.000 0.274 361 E C -1.242 175.302 176.600 -0.095 0.000 0.930 361 E CA -0.803 55.522 56.400 -0.124 0.000 0.770 361 E CB 2.005 31.647 29.700 -0.098 0.000 1.104 361 E HN 0.464 nan 8.360 nan 0.000 0.403 362 V N 4.302 124.133 119.914 -0.139 0.000 2.427 362 V HA 0.446 4.566 4.120 0.000 0.000 0.268 362 V C 0.446 176.446 176.094 -0.157 0.000 1.046 362 V CA -0.191 62.020 62.300 -0.148 0.000 0.970 362 V CB 0.542 32.151 31.823 -0.357 0.000 1.001 362 V HN 0.877 nan 8.190 nan 0.000 0.476 363 A N 7.126 129.892 122.820 -0.090 0.000 2.454 363 A HA 0.596 4.916 4.320 0.000 0.000 0.260 363 A C -0.194 177.298 177.584 -0.152 0.000 1.106 363 A CA -0.188 51.789 52.037 -0.100 0.000 0.780 363 A CB 0.007 18.971 19.000 -0.061 0.000 1.044 363 A HN 0.813 nan 8.150 nan 0.000 0.498 364 L N 3.403 124.516 121.223 -0.184 0.000 2.375 364 L HA 0.330 4.670 4.340 0.000 0.000 0.268 364 L C -1.212 175.417 176.870 -0.401 0.000 1.058 364 L CA -1.873 52.808 54.840 -0.264 0.000 0.803 364 L CB 1.057 43.016 42.059 -0.167 0.000 1.212 364 L HN 0.517 nan 8.230 nan 0.000 0.451 365 P HA -0.111 nan 4.420 nan 0.000 0.217 365 P C 0.419 177.319 177.300 -0.666 0.000 1.148 365 P CA 0.965 63.608 63.100 -0.762 0.000 0.834 365 P CB 0.258 31.325 31.700 -1.055 0.000 0.783 366 G N -2.591 105.722 108.800 -0.812 0.000 2.474 366 G HA2 0.389 4.349 3.960 0.000 0.000 0.234 366 G HA3 0.389 4.349 3.960 0.000 0.000 0.234 366 G C -1.889 173.090 174.900 0.131 0.000 1.204 366 G CA -0.732 44.251 45.100 -0.195 0.000 0.939 366 G HN -0.001 nan 8.290 nan 0.000 0.491 367 L N 1.537 122.951 121.223 0.319 0.000 2.265 367 L HA 0.705 5.045 4.340 0.000 0.000 0.289 367 L C 0.804 177.852 176.870 0.296 0.000 1.033 367 L CA 0.392 55.395 54.840 0.271 0.000 0.814 367 L CB 0.956 43.106 42.059 0.152 0.000 1.203 367 L HN 1.148 nan 8.230 nan 0.000 0.423 368 G N 1.641 110.559 108.800 0.196 0.000 2.485 368 G HA2 0.279 4.240 3.960 0.000 0.000 0.182 368 G HA3 0.279 4.240 3.960 0.000 0.000 0.182 368 G C -1.555 173.246 174.900 -0.165 0.000 1.172 368 G CA -0.375 44.624 45.100 -0.169 0.000 0.996 368 G HN 0.353 nan 8.290 nan 0.000 0.496 369 S N -0.347 115.151 115.700 -0.337 0.000 2.503 369 S HA 0.738 5.208 4.470 0.000 0.000 0.301 369 S C 0.011 174.569 174.600 -0.070 0.000 1.087 369 S CA -0.299 57.805 58.200 -0.159 0.000 1.042 369 S CB 1.620 64.721 63.200 -0.165 0.000 1.043 369 S HN 1.487 nan 8.310 nan 0.000 0.489 370 V N 0.388 120.345 119.914 0.071 0.000 2.881 370 V HA 1.004 5.124 4.120 0.000 0.000 0.316 370 V C -0.215 175.982 176.094 0.171 0.000 1.070 370 V CA -0.818 61.601 62.300 0.199 0.000 0.976 370 V CB 1.458 33.423 31.823 0.238 0.000 1.038 370 V HN 0.951 nan 8.190 nan 0.000 0.446 371 S N 0.469 116.307 115.700 0.229 0.000 2.588 371 S HA 1.022 5.492 4.470 0.000 0.000 0.275 371 S C 0.116 174.846 174.600 0.218 0.000 1.130 371 S CA 0.015 58.333 58.200 0.198 0.000 0.855 371 S CB 1.323 64.600 63.200 0.129 0.000 1.116 371 S HN 2.779 nan 8.310 nan 0.000 0.472 372 G N 0.906 109.818 108.800 0.185 0.000 2.445 372 G HA2 0.198 4.159 3.960 0.000 0.000 0.212 372 G HA3 0.198 4.159 3.960 0.000 0.000 0.212 372 G C -0.205 174.806 174.900 0.186 0.000 1.217 372 G CA -0.113 45.046 45.100 0.098 0.000 1.002 372 G HN 1.753 nan 8.290 nan 0.000 0.574 373 F N 0.160 120.109 119.950 -0.001 0.000 3.093 373 F HA -0.172 4.355 4.527 0.000 0.000 0.287 373 F C 0.592 176.375 175.800 -0.028 0.000 0.882 373 F CA 1.312 59.171 58.000 -0.236 0.000 1.063 373 F CB -1.463 37.255 39.000 -0.469 0.000 1.097 373 F HN 0.608 nan 8.300 nan 0.000 0.604 374 N N -0.296 118.472 118.700 0.114 0.000 2.399 374 N HA 0.710 5.450 4.740 0.000 0.000 0.280 374 N C 0.190 175.764 175.510 0.107 0.000 1.008 374 N CA -0.015 53.084 53.050 0.082 0.000 0.894 374 N CB 1.640 40.075 38.487 -0.086 0.000 1.273 374 N HN 0.359 nan 8.380 nan 0.000 0.486 375 G N 1.051 109.946 108.800 0.158 0.000 2.608 375 G HA2 0.308 4.268 3.960 0.000 0.000 0.291 375 G HA3 0.308 4.268 3.960 0.000 0.000 0.291 375 G C -1.274 173.708 174.900 0.137 0.000 1.425 375 G CA -0.644 44.546 45.100 0.149 0.000 0.787 375 G HN 0.310 nan 8.290 nan 0.000 0.484 376 K N -0.753 119.704 120.400 0.095 0.000 2.120 376 K HA 0.264 4.585 4.320 0.000 0.000 0.245 376 K C 1.083 177.749 176.600 0.110 0.000 1.024 376 K CA -0.406 55.894 56.287 0.021 0.000 0.906 376 K CB 0.841 33.336 32.500 -0.008 0.000 1.051 376 K HN 0.666 nan 8.250 nan 0.000 0.491 377 H N 0.699 119.806 119.070 0.060 0.000 2.387 377 H HA -0.147 4.409 4.556 0.000 0.000 0.299 377 H C 0.989 176.327 175.328 0.017 0.000 1.099 377 H CA 1.419 57.474 56.048 0.011 0.000 1.315 377 H CB 0.179 29.912 29.762 -0.048 0.000 1.380 377 H HN 0.636 nan 8.280 nan 0.000 0.513 378 D N 0.608 121.098 120.400 0.149 0.000 2.340 378 D HA -0.048 4.592 4.640 0.000 0.000 0.220 378 D C -0.097 176.263 176.300 0.100 0.000 1.039 378 D CA 0.127 54.185 54.000 0.097 0.000 0.866 378 D CB -0.178 40.663 40.800 0.067 0.000 0.913 378 D HN 0.218 nan 8.370 nan 0.000 0.523 379 D N 2.763 123.238 120.400 0.125 0.000 2.450 379 D HA 0.014 4.654 4.640 0.000 0.000 0.247 379 D C -0.988 175.396 176.300 0.140 0.000 1.162 379 D CA -1.187 52.896 54.000 0.138 0.000 0.879 379 D CB 1.557 42.457 40.800 0.167 0.000 1.163 379 D HN 0.101 nan 8.370 nan 0.000 0.472 380 P HA 0.078 nan 4.420 nan 0.000 0.240 380 P C -0.428 176.916 177.300 0.074 0.000 1.190 380 P CA 0.295 63.451 63.100 0.093 0.000 0.781 380 P CB 0.729 32.472 31.700 0.072 0.000 0.931 381 A N -0.370 122.493 122.820 0.072 0.000 2.549 381 A HA 0.687 5.007 4.320 0.000 0.000 0.297 381 A C -1.272 176.298 177.584 -0.022 0.000 1.061 381 A CA -0.612 51.411 52.037 -0.022 0.000 0.690 381 A CB 0.899 19.816 19.000 -0.137 0.000 1.287 381 A HN -0.015 nan 8.150 nan 0.000 0.402 382 L N 0.619 121.803 121.223 -0.065 0.000 2.319 382 L HA 0.669 5.009 4.340 0.000 0.000 0.267 382 L C -1.298 175.366 176.870 -0.344 0.000 1.011 382 L CA -0.778 54.039 54.840 -0.038 0.000 0.818 382 L CB 1.887 44.011 42.059 0.109 0.000 1.316 382 L HN 0.776 nan 8.230 nan 0.000 0.432 383 Y N 1.088 121.332 120.300 -0.093 0.000 2.446 383 Y HA 0.603 5.153 4.550 0.000 0.000 0.345 383 Y C -0.382 175.387 175.900 -0.218 0.000 0.984 383 Y CA -0.712 57.278 58.100 -0.183 0.000 1.058 383 Y CB 2.010 40.346 38.460 -0.207 0.000 1.220 383 Y HN 0.368 nan 8.280 nan 0.000 0.455 384 F N -0.570 119.250 119.950 -0.217 0.000 2.599 384 F HA 0.979 5.506 4.527 0.000 0.000 0.311 384 F C -0.447 175.387 175.800 0.057 0.000 1.076 384 F CA -1.437 56.391 58.000 -0.287 0.000 0.937 384 F CB 1.351 39.822 39.000 -0.882 0.000 1.282 384 F HN 0.566 nan 8.300 nan 0.000 0.460 385 G N 1.263 110.253 108.800 0.317 0.000 2.432 385 G HA2 0.631 4.591 3.960 0.000 0.000 0.331 385 G HA3 0.631 4.591 3.960 0.000 0.000 0.331 385 G C -2.487 172.683 174.900 0.450 0.000 1.170 385 G CA -0.826 44.453 45.100 0.300 0.000 0.943 385 G HN 0.818 nan 8.290 nan 0.000 0.483 386 F N 0.991 121.107 119.950 0.277 0.000 2.565 386 F HA 0.706 5.233 4.527 0.000 0.000 0.313 386 F C -0.363 175.514 175.800 0.128 0.000 1.091 386 F CA -0.733 57.404 58.000 0.227 0.000 0.915 386 F CB 2.083 41.252 39.000 0.281 0.000 1.208 386 F HN 0.774 nan 8.300 nan 0.000 0.453 387 E N 4.143 123.783 120.200 -0.933 0.000 2.422 387 E HA 0.421 4.771 4.350 0.000 0.000 0.280 387 E C -2.192 173.976 176.600 -0.721 0.000 1.091 387 E CA -1.108 54.923 56.400 -0.615 0.000 0.849 387 E CB 2.361 31.920 29.700 -0.235 0.000 1.353 387 E HN 0.777 nan 8.360 nan 0.000 0.449 388 N N -0.660 117.809 118.700 -0.385 0.000 3.364 388 N HA 0.111 4.851 4.740 0.000 0.000 0.294 388 N C -0.265 175.148 175.510 -0.163 0.000 1.562 388 N CA -0.800 52.035 53.050 -0.359 0.000 0.862 388 N CB 0.237 38.563 38.487 -0.268 0.000 1.691 388 N HN 0.349 nan 8.380 nan 0.000 0.572 389 Y N -0.385 119.921 120.300 0.009 0.000 2.315 389 Y HA 0.031 4.581 4.550 0.000 0.000 0.288 389 Y C 2.050 177.941 175.900 -0.016 0.000 1.154 389 Y CA 1.788 59.882 58.100 -0.010 0.000 1.229 389 Y CB -0.300 38.170 38.460 0.017 0.000 0.980 389 Y HN 0.742 nan 8.280 nan 0.000 0.540 390 A N -0.911 122.002 122.820 0.154 0.000 2.564 390 A HA 0.344 4.664 4.320 0.000 0.000 0.279 390 A C 0.148 177.804 177.584 0.120 0.000 1.232 390 A CA -0.125 51.955 52.037 0.072 0.000 0.950 390 A CB 0.079 19.140 19.000 0.101 0.000 1.138 390 A HN 0.137 nan 8.150 nan 0.000 0.526 391 Q N 1.243 121.095 119.800 0.085 0.000 2.414 391 Q HA 0.373 4.713 4.340 0.000 0.000 0.256 391 Q C -3.092 172.675 176.000 -0.388 0.000 0.974 391 Q CA -2.311 53.449 55.803 -0.071 0.000 0.723 391 Q CB 2.410 31.183 28.738 0.058 0.000 1.281 391 Q HN 0.158 nan 8.270 nan 0.000 0.470 392 P HA 0.108 nan 4.420 nan 0.000 0.268 392 P C -2.433 174.612 177.300 -0.425 0.000 1.208 392 P CA -1.132 61.221 63.100 -1.245 0.000 0.777 392 P CB -0.218 30.805 31.700 -1.128 0.000 0.875 393 P HA -0.002 nan 4.420 nan 0.000 0.258 393 P C -0.437 176.848 177.300 -0.026 0.000 1.172 393 P CA 1.172 64.236 63.100 -0.059 0.000 0.762 393 P CB -0.188 31.515 31.700 0.005 0.000 0.764 394 T N 4.510 119.096 114.554 0.054 0.000 2.841 394 T HA 0.511 4.861 4.350 0.000 0.000 0.283 394 T C -0.157 174.527 174.700 -0.027 0.000 1.000 394 T CA -0.600 61.499 62.100 -0.002 0.000 0.977 394 T CB 0.763 69.678 68.868 0.079 0.000 0.979 394 T HN 0.113 nan 8.240 nan 0.000 0.446 395 L N 3.133 124.241 121.223 -0.192 0.000 2.309 395 L HA 0.617 4.957 4.340 0.000 0.000 0.282 395 L C -1.112 175.486 176.870 -0.454 0.000 1.036 395 L CA -0.935 53.818 54.840 -0.144 0.000 0.806 395 L CB 0.950 43.065 42.059 0.093 0.000 1.220 395 L HN 0.655 nan 8.230 nan 0.000 0.429 396 Y N 1.158 121.238 120.300 -0.366 0.000 2.545 396 Y HA 0.526 5.076 4.550 0.000 0.000 0.348 396 Y C -0.179 175.419 175.900 -0.503 0.000 1.002 396 Y CA -0.832 56.935 58.100 -0.555 0.000 1.039 396 Y CB 2.156 39.847 38.460 -1.281 0.000 1.271 396 Y HN 0.457 nan 8.280 nan 0.000 0.467 397 R N 2.461 122.865 120.500 -0.160 0.000 2.338 397 R HA 0.523 4.864 4.340 0.000 0.000 0.317 397 R C -2.039 174.204 176.300 -0.095 0.000 0.968 397 R CA -0.475 55.405 56.100 -0.368 0.000 0.849 397 R CB 0.701 30.811 30.300 -0.317 0.000 1.128 397 R HN 0.633 nan 8.270 nan 0.000 0.448 398 F N 3.814 123.609 119.950 -0.259 0.000 2.426 398 F HA 0.353 4.880 4.527 0.000 0.000 0.348 398 F C -0.657 175.118 175.800 -0.042 0.000 1.124 398 F CA -0.782 57.208 58.000 -0.015 0.000 1.008 398 F CB 1.480 40.559 39.000 0.131 0.000 1.139 398 F HN 0.479 nan 8.300 nan 0.000 0.452 399 E N 8.071 127.942 120.200 -0.548 0.000 2.044 399 E HA 0.195 4.545 4.350 0.000 0.000 0.282 399 E C -2.043 174.097 176.600 -0.767 0.000 1.031 399 E CA -2.037 54.100 56.400 -0.439 0.000 0.824 399 E CB 1.047 30.584 29.700 -0.272 0.000 1.076 399 E HN 0.446 nan 8.360 nan 0.000 0.395 400 P HA -0.169 nan 4.420 nan 0.000 0.216 400 P C 1.030 178.223 177.300 -0.179 0.000 1.153 400 P CA 1.429 64.440 63.100 -0.149 0.000 0.858 400 P CB 0.417 32.342 31.700 0.376 0.000 0.789 401 K N -0.487 119.880 120.400 -0.054 0.000 2.062 401 K HA -0.032 4.288 4.320 0.000 0.000 0.205 401 K C 2.249 178.795 176.600 -0.090 0.000 1.051 401 K CA 1.878 58.162 56.287 -0.005 0.000 0.941 401 K CB -0.397 32.141 32.500 0.063 0.000 0.719 401 K HN 0.207 nan 8.250 nan 0.000 0.440 402 S N -1.109 114.508 115.700 -0.139 0.000 2.503 402 S HA 0.144 4.614 4.470 0.000 0.000 0.215 402 S C 1.457 175.963 174.600 -0.158 0.000 1.003 402 S CA 0.409 58.537 58.200 -0.120 0.000 0.910 402 S CB 0.676 63.820 63.200 -0.094 0.000 0.790 402 S HN 0.425 nan 8.310 nan 0.000 0.514 403 G N 1.218 109.821 108.800 -0.328 0.000 2.179 403 G HA2 -0.127 3.833 3.960 0.000 0.000 0.260 403 G HA3 -0.127 3.833 3.960 0.000 0.000 0.260 403 G C 0.311 175.088 174.900 -0.204 0.000 0.977 403 G CA -0.025 44.890 45.100 -0.308 0.000 0.641 403 G HN 1.369 nan 8.290 nan 0.000 0.533 404 A N -0.054 122.632 122.820 -0.224 0.000 2.546 404 A HA 0.553 4.874 4.320 0.000 0.000 0.243 404 A C 0.458 178.028 177.584 -0.022 0.000 1.063 404 A CA 0.677 52.660 52.037 -0.091 0.000 0.757 404 A CB 0.127 19.071 19.000 -0.092 0.000 0.991 404 A HN 0.899 nan 8.150 nan 0.000 0.503 405 I N 2.332 122.968 120.570 0.110 0.000 2.465 405 I HA 0.434 4.604 4.170 0.000 0.000 0.291 405 I C 0.155 176.370 176.117 0.162 0.000 1.014 405 I CA -0.195 61.241 61.300 0.227 0.000 1.093 405 I CB 2.287 40.485 38.000 0.330 0.000 1.267 405 I HN 0.767 nan 8.210 nan 0.000 0.431 406 S N 5.838 121.632 115.700 0.157 0.000 2.569 406 S HA 0.577 5.047 4.470 0.000 0.000 0.280 406 S C -0.918 173.765 174.600 0.138 0.000 1.111 406 S CA -0.864 57.413 58.200 0.129 0.000 0.887 406 S CB 2.084 65.320 63.200 0.060 0.000 1.095 406 S HN 0.468 nan 8.310 nan 0.000 0.476 407 L N 3.329 124.589 121.223 0.061 0.000 2.433 407 L HA 0.312 4.652 4.340 0.000 0.000 0.275 407 L C 0.343 177.138 176.870 -0.125 0.000 1.128 407 L CA 0.118 54.854 54.840 -0.174 0.000 0.875 407 L CB -0.310 41.654 42.059 -0.158 0.000 1.171 407 L HN 0.885 nan 8.230 nan 0.000 0.463 408 Y N 5.441 125.565 120.300 -0.293 0.000 2.301 408 Y HA 0.339 4.889 4.550 0.000 0.000 0.295 408 Y C 0.509 176.297 175.900 -0.187 0.000 1.126 408 Y CA 0.535 58.540 58.100 -0.159 0.000 1.154 408 Y CB 0.463 38.903 38.460 -0.033 0.000 1.075 408 Y HN 0.465 nan 8.280 nan 0.000 0.534 409 R N 0.903 121.253 120.500 -0.249 0.000 2.518 409 R HA 0.500 4.840 4.340 0.000 0.000 0.296 409 R C -0.901 175.264 176.300 -0.225 0.000 1.080 409 R CA -0.310 55.622 56.100 -0.280 0.000 0.922 409 R CB 1.125 31.313 30.300 -0.187 0.000 1.184 409 R HN 0.251 nan 8.270 nan 0.000 0.445 410 A N 1.775 124.470 122.820 -0.209 0.000 2.351 410 A HA 0.301 4.621 4.320 0.000 0.000 0.257 410 A C 0.434 177.941 177.584 -0.128 0.000 1.087 410 A CA -0.093 51.844 52.037 -0.167 0.000 0.798 410 A CB 0.686 19.603 19.000 -0.139 0.000 1.033 410 A HN 0.581 nan 8.150 nan 0.000 0.488 411 S N 0.204 115.832 115.700 -0.120 0.000 2.565 411 S HA 0.400 4.870 4.470 0.000 0.000 0.276 411 S C 0.944 175.457 174.600 -0.145 0.000 1.326 411 S CA -0.004 58.124 58.200 -0.119 0.000 1.045 411 S CB 0.777 63.867 63.200 -0.183 0.000 0.918 411 S HN 1.446 nan 8.310 nan 0.000 0.505 412 A N 3.890 126.644 122.820 -0.110 0.000 2.307 412 A HA 0.598 4.918 4.320 0.000 0.000 0.218 412 A C 0.991 178.301 177.584 -0.457 0.000 1.228 412 A CA 0.242 52.203 52.037 -0.127 0.000 0.857 412 A CB -0.668 18.375 19.000 0.071 0.000 0.897 412 A HN 1.137 nan 8.150 nan 0.000 0.495 413 A N 1.464 123.749 122.820 -0.891 0.000 2.483 413 A HA 0.480 4.800 4.320 0.000 0.000 0.238 413 A C -1.649 175.572 177.584 -0.606 0.000 1.070 413 A CA -0.870 50.345 52.037 -1.370 0.000 0.770 413 A CB -0.082 18.384 19.000 -0.890 0.000 1.008 413 A HN 0.249 nan 8.150 nan 0.000 0.497 414 P HA 0.279 nan 4.420 nan 0.000 0.220 414 P C -1.188 175.706 177.300 -0.677 0.000 1.793 414 P CA 0.284 63.070 63.100 -0.524 0.000 0.917 414 P CB -0.556 30.858 31.700 -0.477 0.000 1.755 415 F N 0.367 120.284 119.950 -0.055 0.000 2.539 415 F HA 0.358 4.885 4.527 0.000 0.000 0.328 415 F C 0.754 176.610 175.800 0.093 0.000 1.148 415 F CA -0.970 57.085 58.000 0.091 0.000 0.940 415 F CB 2.151 41.239 39.000 0.146 0.000 1.194 415 F HN -0.306 nan 8.300 nan 0.000 0.438 416 K N 5.074 125.652 120.400 0.298 0.000 2.285 416 K HA 0.224 4.544 4.320 0.000 0.000 0.286 416 K C -2.038 174.724 176.600 0.270 0.000 1.072 416 K CA -1.417 54.970 56.287 0.167 0.000 0.913 416 K CB 1.258 33.785 32.500 0.044 0.000 1.067 416 K HN 0.239 nan 8.250 nan 0.000 0.479 417 P HA -0.222 nan 4.420 nan 0.000 0.217 417 P C 0.991 178.411 177.300 0.200 0.000 1.150 417 P CA 1.044 64.308 63.100 0.274 0.000 0.832 417 P CB 0.223 32.019 31.700 0.160 0.000 0.787 418 E N -0.326 119.927 120.200 0.089 0.000 2.463 418 E HA -0.189 4.161 4.350 0.000 0.000 0.201 418 E C 0.580 177.153 176.600 -0.045 0.000 1.045 418 E CA 1.161 57.580 56.400 0.031 0.000 0.872 418 E CB -0.970 28.739 29.700 0.014 0.000 0.797 418 E HN 0.235 nan 8.360 nan 0.000 0.538 419 D N -0.309 119.998 120.400 -0.154 0.000 2.347 419 D HA 0.058 4.698 4.640 0.000 0.000 0.213 419 D C -0.291 175.648 176.300 -0.602 0.000 0.985 419 D CA 0.524 54.268 54.000 -0.427 0.000 0.879 419 D CB 0.036 40.434 40.800 -0.670 0.000 0.919 419 D HN 0.235 nan 8.370 nan 0.000 0.526 420 Y N -1.060 119.249 120.300 0.014 0.000 2.587 420 Y HA 0.556 5.106 4.550 0.000 0.000 0.337 420 Y C 0.103 175.939 175.900 -0.106 0.000 1.065 420 Y CA -1.253 56.823 58.100 -0.040 0.000 1.126 420 Y CB 1.430 39.881 38.460 -0.014 0.000 1.279 420 Y HN -0.453 nan 8.280 nan 0.000 0.489 421 V N 0.760 120.608 119.914 -0.110 0.000 2.604 421 V HA 0.546 4.666 4.120 0.000 0.000 0.305 421 V C -0.769 175.152 176.094 -0.289 0.000 1.043 421 V CA -0.662 61.474 62.300 -0.272 0.000 0.888 421 V CB 1.831 33.314 31.823 -0.566 0.000 0.995 421 V HN 0.728 nan 8.190 nan 0.000 0.429 422 S N 3.709 119.363 115.700 -0.077 0.000 2.652 422 S HA 0.408 4.878 4.470 0.000 0.000 0.252 422 S C -0.597 174.045 174.600 0.071 0.000 1.219 422 S CA -0.704 57.513 58.200 0.028 0.000 1.151 422 S CB 0.375 63.656 63.200 0.136 0.000 1.080 422 S HN 0.929 nan 8.310 nan 0.000 0.481 423 E N 2.594 122.846 120.200 0.087 0.000 2.212 423 E HA 0.492 4.842 4.350 0.000 0.000 0.270 423 E C -0.608 176.049 176.600 0.095 0.000 0.956 423 E CA -0.976 55.497 56.400 0.121 0.000 0.825 423 E CB 1.296 31.110 29.700 0.191 0.000 1.167 423 E HN 0.456 nan 8.360 nan 0.000 0.400 424 Q N 1.988 121.827 119.800 0.064 0.000 2.271 424 Q HA 0.331 4.671 4.340 0.000 0.000 0.258 424 Q C -0.980 174.969 176.000 -0.084 0.000 0.936 424 Q CA -0.831 54.937 55.803 -0.057 0.000 0.909 424 Q CB 1.053 29.736 28.738 -0.090 0.000 1.253 424 Q HN 0.415 nan 8.270 nan 0.000 0.440 425 R N 2.630 122.993 120.500 -0.229 0.000 2.867 425 R HA 0.542 4.882 4.340 0.000 0.000 0.268 425 R C -1.382 174.612 176.300 -0.509 0.000 1.014 425 R CA -0.635 55.389 56.100 -0.126 0.000 0.946 425 R CB 1.273 31.655 30.300 0.137 0.000 1.208 425 R HN 0.595 nan 8.270 nan 0.000 0.477 426 F N 1.393 121.313 119.950 -0.050 0.000 2.529 426 F HA 0.430 4.957 4.527 0.000 0.000 0.320 426 F C 0.004 175.662 175.800 -0.237 0.000 1.118 426 F CA -0.819 57.087 58.000 -0.156 0.000 0.915 426 F CB 1.312 40.261 39.000 -0.085 0.000 1.161 426 F HN 0.437 nan 8.300 nan 0.000 0.445 427 Y N -0.487 119.709 120.300 -0.173 0.000 2.686 427 Y HA 0.789 5.339 4.550 0.000 0.000 0.330 427 Y C -1.208 174.703 175.900 0.018 0.000 1.082 427 Y CA -1.519 56.445 58.100 -0.228 0.000 1.158 427 Y CB 0.987 39.114 38.460 -0.555 0.000 1.333 427 Y HN 0.516 nan 8.280 nan 0.000 0.519 428 Q N 0.924 120.905 119.800 0.303 0.000 2.365 428 Q HA 0.484 4.824 4.340 0.000 0.000 0.269 428 Q C -0.840 175.343 176.000 0.305 0.000 1.061 428 Q CA -1.069 54.850 55.803 0.193 0.000 0.816 428 Q CB 2.452 31.277 28.738 0.145 0.000 1.325 428 Q HN 0.837 nan 8.270 nan 0.000 0.446 429 S N 0.740 116.559 115.700 0.199 0.000 2.686 429 S HA 0.147 4.617 4.470 0.000 0.000 0.270 429 S C 1.067 175.740 174.600 0.121 0.000 1.194 429 S CA -0.292 58.028 58.200 0.199 0.000 0.990 429 S CB 0.981 64.260 63.200 0.132 0.000 1.029 429 S HN 0.730 nan 8.310 nan 0.000 0.560 430 K N 0.446 120.903 120.400 0.095 0.000 2.034 430 K HA -0.197 4.123 4.320 0.000 0.000 0.214 430 K C 1.114 177.742 176.600 0.046 0.000 1.051 430 K CA 2.340 58.667 56.287 0.066 0.000 0.931 430 K CB -0.533 31.999 32.500 0.053 0.000 0.715 430 K HN 0.781 nan 8.250 nan 0.000 0.446 431 D N -1.829 118.589 120.400 0.030 0.000 2.363 431 D HA 0.020 4.661 4.640 0.000 0.000 0.226 431 D C 1.078 177.388 176.300 0.017 0.000 1.020 431 D CA 0.955 54.963 54.000 0.014 0.000 0.892 431 D CB 0.368 41.163 40.800 -0.008 0.000 0.900 431 D HN 0.521 nan 8.370 nan 0.000 0.531 432 G N -0.638 108.181 108.800 0.033 0.000 2.279 432 G HA2 -0.265 3.695 3.960 0.000 0.000 0.223 432 G HA3 -0.265 3.695 3.960 0.000 0.000 0.223 432 G C 0.533 175.449 174.900 0.026 0.000 1.015 432 G CA 0.055 45.175 45.100 0.032 0.000 0.621 432 G HN 0.460 nan 8.290 nan 0.000 0.506 433 T N 2.118 116.680 114.554 0.013 0.000 2.891 433 T HA 0.251 4.602 4.350 0.000 0.000 0.296 433 T C 0.650 175.362 174.700 0.019 0.000 1.025 433 T CA 0.562 62.670 62.100 0.013 0.000 1.149 433 T CB 0.910 69.763 68.868 -0.026 0.000 1.007 433 T HN 0.532 nan 8.240 nan 0.000 0.528 434 R N 2.632 123.147 120.500 0.025 0.000 2.234 434 R HA 0.413 4.753 4.340 0.000 0.000 0.324 434 R C -1.134 175.194 176.300 0.047 0.000 1.054 434 R CA -0.369 55.726 56.100 -0.008 0.000 0.912 434 R CB 0.320 30.592 30.300 -0.047 0.000 1.030 434 R HN 0.444 nan 8.270 nan 0.000 0.455 435 V N 7.138 126.938 119.914 -0.189 0.000 2.495 435 V HA 0.388 4.509 4.120 0.000 0.000 0.298 435 V C -2.257 173.635 176.094 -0.336 0.000 1.031 435 V CA -2.416 59.772 62.300 -0.188 0.000 0.871 435 V CB 1.811 33.364 31.823 -0.450 0.000 0.988 435 V HN 0.793 nan 8.190 nan 0.000 0.432 436 P HA 0.410 nan 4.420 nan 0.000 0.275 436 P C -1.088 176.118 177.300 -0.156 0.000 1.227 436 P CA -0.301 62.639 63.100 -0.266 0.000 0.781 436 P CB 0.850 32.521 31.700 -0.047 0.000 0.906 437 L N 4.450 125.529 121.223 -0.240 0.000 2.476 437 L HA 0.491 4.831 4.340 0.000 0.000 0.269 437 L C -1.361 175.453 176.870 -0.093 0.000 0.965 437 L CA -0.386 54.429 54.840 -0.043 0.000 0.845 437 L CB 1.154 43.255 42.059 0.070 0.000 1.259 437 L HN 0.252 nan 8.230 nan 0.000 0.403 438 I N 6.282 126.831 120.570 -0.036 0.000 2.321 438 I HA 0.400 4.570 4.170 0.000 0.000 0.291 438 I C -0.525 175.555 176.117 -0.061 0.000 0.998 438 I CA -0.341 60.959 61.300 -0.000 0.000 1.227 438 I CB 1.220 39.309 38.000 0.148 0.000 1.368 438 I HN 0.500 nan 8.210 nan 0.000 0.466 439 I N 5.857 126.415 120.570 -0.020 0.000 2.355 439 I HA 0.301 4.471 4.170 0.000 0.000 0.288 439 I C -0.170 176.018 176.117 0.119 0.000 0.999 439 I CA -0.096 61.193 61.300 -0.017 0.000 1.163 439 I CB 1.342 39.264 38.000 -0.131 0.000 1.316 439 I HN 0.464 nan 8.210 nan 0.000 0.454 440 S N 5.764 121.533 115.700 0.116 0.000 2.537 440 S HA 0.841 5.311 4.470 0.000 0.000 0.301 440 S C -0.980 173.788 174.600 0.279 0.000 1.092 440 S CA -0.650 57.607 58.200 0.095 0.000 1.048 440 S CB 1.580 64.823 63.200 0.073 0.000 1.053 440 S HN 0.599 nan 8.310 nan 0.000 0.501 441 Y N -1.250 119.147 120.300 0.161 0.000 2.774 441 Y HA 0.554 5.104 4.550 0.000 0.000 0.346 441 Y C -0.893 175.164 175.900 0.263 0.000 1.222 441 Y CA -1.486 56.715 58.100 0.169 0.000 1.088 441 Y CB 0.577 39.117 38.460 0.134 0.000 1.354 441 Y HN 0.516 nan 8.280 nan 0.000 0.455 442 R N 2.038 122.777 120.500 0.399 0.000 2.438 442 R HA 0.293 4.633 4.340 0.000 0.000 0.287 442 R C -0.524 175.889 176.300 0.187 0.000 1.077 442 R CA -0.577 55.663 56.100 0.232 0.000 1.034 442 R CB 0.674 31.052 30.300 0.130 0.000 0.993 442 R HN 0.736 nan 8.270 nan 0.000 0.459 443 K N 1.320 121.737 120.400 0.028 0.000 2.527 443 K HA -0.011 4.309 4.320 0.000 0.000 0.278 443 K C 0.712 177.367 176.600 0.092 0.000 0.981 443 K CA 1.332 57.660 56.287 0.069 0.000 1.009 443 K CB 0.457 32.950 32.500 -0.012 0.000 0.895 443 K HN 0.933 nan 8.250 nan 0.000 0.493 444 G N 1.848 110.723 108.800 0.125 0.000 2.144 444 G HA2 -0.231 3.729 3.960 0.000 0.000 0.218 444 G HA3 -0.231 3.729 3.960 0.000 0.000 0.218 444 G C -0.122 174.823 174.900 0.075 0.000 0.988 444 G CA -0.153 44.994 45.100 0.077 0.000 0.659 444 G HN 0.533 nan 8.290 nan 0.000 0.522 445 L N 0.294 121.594 121.223 0.128 0.000 2.436 445 L HA 0.702 5.042 4.340 0.000 0.000 0.265 445 L C 0.253 177.103 176.870 -0.032 0.000 1.168 445 L CA -0.337 54.520 54.840 0.027 0.000 0.815 445 L CB 0.529 42.551 42.059 -0.062 0.000 1.109 445 L HN 0.087 nan 8.230 nan 0.000 0.462 446 K N 5.074 125.433 120.400 -0.068 0.000 2.323 446 K HA 0.361 4.681 4.320 0.000 0.000 0.259 446 K C -0.803 175.717 176.600 -0.133 0.000 0.947 446 K CA -0.573 55.665 56.287 -0.082 0.000 0.819 446 K CB 1.631 34.099 32.500 -0.053 0.000 1.109 446 K HN 0.589 nan 8.250 nan 0.000 0.429 447 L N 4.322 125.434 121.223 -0.185 0.000 2.436 447 L HA 0.013 4.354 4.340 0.000 0.000 0.244 447 L C 0.251 177.018 176.870 -0.172 0.000 1.396 447 L CA 0.091 54.775 54.840 -0.261 0.000 1.217 447 L CB -0.903 40.937 42.059 -0.366 0.000 1.420 447 L HN 0.644 nan 8.230 nan 0.000 0.434 448 D N -0.897 119.431 120.400 -0.119 0.000 2.402 448 D HA 0.114 4.754 4.640 0.000 0.000 0.216 448 D C 1.328 177.588 176.300 -0.066 0.000 1.128 448 D CA 0.122 54.073 54.000 -0.082 0.000 0.833 448 D CB 0.573 41.338 40.800 -0.059 0.000 0.971 448 D HN 0.320 nan 8.370 nan 0.000 0.503 449 G N 0.633 109.390 108.800 -0.073 0.000 2.168 449 G HA2 -0.350 3.610 3.960 0.000 0.000 0.257 449 G HA3 -0.350 3.610 3.960 0.000 0.000 0.257 449 G C 0.992 175.882 174.900 -0.015 0.000 0.997 449 G CA 0.882 45.957 45.100 -0.042 0.000 0.708 449 G HN 0.742 nan 8.290 nan 0.000 0.520 450 S N -0.987 114.705 115.700 -0.013 0.000 2.512 450 S HA 0.201 4.671 4.470 0.000 0.000 0.216 450 S C 0.609 175.233 174.600 0.040 0.000 1.006 450 S CA 0.055 58.260 58.200 0.008 0.000 0.915 450 S CB 0.261 63.460 63.200 -0.001 0.000 0.824 450 S HN 0.374 nan 8.310 nan 0.000 0.497 451 N N 4.950 123.667 118.700 0.028 0.000 2.452 451 N HA 0.193 4.933 4.740 0.000 0.000 0.266 451 N C -2.800 172.760 175.510 0.084 0.000 1.209 451 N CA -0.786 52.284 53.050 0.032 0.000 0.929 451 N CB 0.384 38.873 38.487 0.004 0.000 1.063 451 N HN 0.358 nan 8.380 nan 0.000 0.472 452 P HA 0.014 nan 4.420 nan 0.000 0.264 452 P C -0.482 176.989 177.300 0.285 0.000 1.193 452 P CA 0.312 63.531 63.100 0.198 0.000 0.763 452 P CB 0.586 32.313 31.700 0.045 0.000 0.810 453 T N 4.023 118.808 114.554 0.385 0.000 2.900 453 T HA 0.593 4.944 4.350 0.000 0.000 0.295 453 T C -0.057 174.863 174.700 0.365 0.000 1.044 453 T CA -0.392 61.942 62.100 0.390 0.000 0.995 453 T CB 1.085 70.069 68.868 0.194 0.000 1.072 453 T HN 0.238 nan 8.240 nan 0.000 0.473 454 I N 2.928 123.697 120.570 0.332 0.000 2.439 454 I HA 0.383 4.553 4.170 0.000 0.000 0.285 454 I C -1.134 175.026 176.117 0.071 0.000 1.021 454 I CA -0.924 60.468 61.300 0.153 0.000 1.091 454 I CB 1.785 39.802 38.000 0.028 0.000 1.242 454 I HN 0.324 nan 8.210 nan 0.000 0.439 455 L N 8.356 129.591 121.223 0.019 0.000 2.264 455 L HA 0.451 4.791 4.340 0.000 0.000 0.289 455 L C -1.345 175.623 176.870 0.163 0.000 1.044 455 L CA -0.052 54.755 54.840 -0.055 0.000 0.807 455 L CB 0.756 42.660 42.059 -0.257 0.000 1.192 455 L HN 0.432 nan 8.230 nan 0.000 0.425 456 Y N 4.249 124.553 120.300 0.007 0.000 2.409 456 Y HA 0.827 5.377 4.550 0.000 0.000 0.339 456 Y C 0.091 176.153 175.900 0.271 0.000 1.033 456 Y CA -0.134 58.045 58.100 0.132 0.000 1.094 456 Y CB 1.988 40.388 38.460 -0.100 0.000 1.210 456 Y HN 0.753 nan 8.280 nan 0.000 0.456 457 G N 3.180 111.663 108.800 -0.527 0.000 2.646 457 G HA2 0.310 4.270 3.960 0.000 0.000 0.291 457 G HA3 0.310 4.270 3.960 0.000 0.000 0.291 457 G C -2.089 172.419 174.900 -0.653 0.000 1.445 457 G CA -0.429 44.348 45.100 -0.538 0.000 0.814 457 G HN 0.632 nan 8.290 nan 0.000 0.495 458 Y N 0.303 120.329 120.300 -0.457 0.000 3.213 458 Y HA 0.494 5.044 4.550 0.000 0.000 0.168 458 Y C 1.446 177.225 175.900 -0.202 0.000 0.880 458 Y CA 1.477 59.398 58.100 -0.299 0.000 1.806 458 Y CB 0.575 38.949 38.460 -0.143 0.000 1.369 458 Y HN 1.741 nan 8.280 nan 0.000 0.377 459 G N 1.021 109.860 108.800 0.064 0.000 2.643 459 G HA2 0.385 4.345 3.960 0.000 0.000 0.280 459 G HA3 0.385 4.345 3.960 0.000 0.000 0.280 459 G C -0.031 174.819 174.900 -0.084 0.000 1.120 459 G CA 0.353 45.430 45.100 -0.039 0.000 1.165 459 G HN 1.453 nan 8.290 nan 0.000 0.540 460 G N -1.051 107.805 108.800 0.092 0.000 2.339 460 G HA2 0.598 4.558 3.960 0.000 0.000 0.302 460 G HA3 0.598 4.558 3.960 0.000 0.000 0.302 460 G C -0.001 175.027 174.900 0.213 0.000 1.425 460 G CA 0.166 45.285 45.100 0.032 0.000 0.899 460 G HN 1.561 nan 8.290 nan 0.000 0.619 461 F N -0.587 119.328 119.950 -0.058 0.000 3.034 461 F HA -0.205 4.322 4.527 0.000 0.000 0.286 461 F C 1.188 176.720 175.800 -0.447 0.000 0.804 461 F CA 1.828 59.715 58.000 -0.188 0.000 1.161 461 F CB -1.372 37.592 39.000 -0.059 0.000 1.317 461 F HN 1.069 nan 8.300 nan 0.000 0.453 462 D N -0.713 119.251 120.400 -0.728 0.000 2.911 462 D HA -0.181 4.459 4.640 0.000 0.000 0.227 462 D C -0.096 176.128 176.300 -0.126 0.000 1.164 462 D CA 0.974 54.697 54.000 -0.460 0.000 0.782 462 D CB -0.792 39.746 40.800 -0.438 0.000 1.094 462 D HN 0.221 nan 8.370 nan 0.000 0.425 463 V N 0.732 120.639 119.914 -0.012 0.000 2.498 463 V HA 0.403 4.523 4.120 0.000 0.000 0.279 463 V C 0.782 176.870 176.094 -0.009 0.000 1.048 463 V CA -0.137 62.142 62.300 -0.034 0.000 0.967 463 V CB 1.795 33.540 31.823 -0.130 0.000 0.988 463 V HN 0.184 nan 8.190 nan 0.000 0.473 464 S N 5.672 121.341 115.700 -0.052 0.000 2.475 464 S HA 0.597 5.067 4.470 0.000 0.000 0.298 464 S C -0.378 174.203 174.600 -0.030 0.000 1.119 464 S CA -0.537 57.645 58.200 -0.030 0.000 1.085 464 S CB 1.065 64.225 63.200 -0.066 0.000 1.028 464 S HN 0.516 nan 8.310 nan 0.000 0.489 465 L N 4.298 125.536 121.223 0.026 0.000 2.287 465 L HA 0.340 4.680 4.340 0.000 0.000 0.280 465 L C 0.621 177.526 176.870 0.058 0.000 1.055 465 L CA -0.463 54.421 54.840 0.075 0.000 0.863 465 L CB 0.295 42.459 42.059 0.176 0.000 1.245 465 L HN 0.680 nan 8.230 nan 0.000 0.432 466 T N 0.270 114.821 114.554 -0.005 0.000 2.943 466 T HA 0.504 4.854 4.350 0.000 0.000 0.284 466 T C -2.569 172.024 174.700 -0.179 0.000 1.015 466 T CA -2.455 59.604 62.100 -0.069 0.000 1.042 466 T CB 1.481 70.293 68.868 -0.093 0.000 1.055 466 T HN 0.130 nan 8.240 nan 0.000 0.500 467 P HA 0.174 nan 4.420 nan 0.000 0.257 467 P C -0.727 176.198 177.300 -0.626 0.000 1.162 467 P CA 0.351 62.953 63.100 -0.829 0.000 0.762 467 P CB 0.256 31.617 31.700 -0.566 0.000 0.753 468 S N 4.006 119.272 115.700 -0.724 0.000 2.571 468 S HA 0.585 5.055 4.470 0.000 0.000 0.284 468 S C -1.270 173.242 174.600 -0.146 0.000 1.128 468 S CA -0.821 57.215 58.200 -0.274 0.000 0.970 468 S CB 0.335 63.469 63.200 -0.110 0.000 1.039 468 S HN 0.178 nan 8.310 nan 0.000 0.485 469 F N 4.103 123.931 119.950 -0.204 0.000 2.396 469 F HA 0.696 5.223 4.527 0.000 0.000 0.343 469 F C 0.104 175.796 175.800 -0.179 0.000 1.104 469 F CA 0.081 57.976 58.000 -0.175 0.000 1.161 469 F CB 1.462 40.354 39.000 -0.181 0.000 1.146 469 F HN 0.570 nan 8.300 nan 0.000 0.522 470 S N 4.677 119.631 115.700 -1.244 0.000 2.575 470 S HA 0.402 4.872 4.470 0.000 0.000 0.278 470 S C 0.238 174.129 174.600 -1.182 0.000 1.139 470 S CA -0.757 56.885 58.200 -0.930 0.000 0.954 470 S CB 1.451 64.324 63.200 -0.545 0.000 1.054 470 S HN 0.565 nan 8.310 nan 0.000 0.483 471 V N 4.608 124.018 119.914 -0.840 0.000 2.392 471 V HA -0.123 3.997 4.120 0.000 0.000 0.249 471 V C 2.438 178.343 176.094 -0.314 0.000 1.059 471 V CA 2.594 64.564 62.300 -0.551 0.000 1.051 471 V CB -0.916 30.541 31.823 -0.611 0.000 0.658 471 V HN 0.894 nan 8.190 nan 0.000 0.455 472 S N 0.004 115.583 115.700 -0.202 0.000 2.348 472 S HA -0.179 4.291 4.470 0.000 0.000 0.221 472 S C 2.024 176.617 174.600 -0.011 0.000 1.033 472 S CA 1.604 59.870 58.200 0.109 0.000 1.010 472 S CB -0.382 62.898 63.200 0.134 0.000 0.891 472 S HN 0.393 nan 8.310 nan 0.000 0.442 473 V N 2.201 121.927 119.914 -0.312 0.000 2.407 473 V HA -0.192 3.928 4.120 0.000 0.000 0.248 473 V C 2.653 178.495 176.094 -0.420 0.000 1.055 473 V CA 1.636 63.659 62.300 -0.462 0.000 1.049 473 V CB -1.272 30.061 31.823 -0.817 0.000 0.662 473 V HN 0.554 nan 8.190 nan 0.000 0.455 474 A N -0.012 122.421 122.820 -0.645 0.000 1.969 474 A HA -0.198 4.123 4.320 0.000 0.000 0.218 474 A C 2.095 179.475 177.584 -0.340 0.000 1.169 474 A CA 1.743 53.315 52.037 -0.774 0.000 0.635 474 A CB -0.567 17.485 19.000 -1.581 0.000 0.810 474 A HN 0.595 nan 8.150 nan 0.000 0.445 475 N N -1.213 117.396 118.700 -0.152 0.000 2.331 475 N HA -0.128 4.612 4.740 0.000 0.000 0.180 475 N C 1.572 177.038 175.510 -0.074 0.000 1.019 475 N CA 0.995 54.069 53.050 0.041 0.000 0.881 475 N CB -0.250 38.319 38.487 0.136 0.000 0.972 475 N HN 0.853 nan 8.380 nan 0.000 0.435 476 W N 2.033 123.083 121.300 -0.416 0.000 2.418 476 W HA -0.015 4.646 4.660 0.000 0.000 0.292 476 W C 1.393 177.775 176.519 -0.229 0.000 1.213 476 W CA 0.467 57.514 57.345 -0.498 0.000 1.283 476 W CB -0.005 29.099 29.460 -0.593 0.000 1.119 476 W HN -0.010 nan 8.180 nan 0.000 0.542 477 L N 0.414 121.568 121.223 -0.115 0.000 2.093 477 L HA -0.198 4.143 4.340 0.000 0.000 0.208 477 L C 2.097 178.968 176.870 0.002 0.000 1.085 477 L CA 1.304 56.108 54.840 -0.060 0.000 0.755 477 L CB -1.047 41.011 42.059 -0.000 0.000 0.904 477 L HN -0.192 nan 8.230 nan 0.000 0.435 478 D N 0.516 120.944 120.400 0.047 0.000 2.144 478 D HA -0.108 4.532 4.640 0.000 0.000 0.200 478 D C 2.262 178.522 176.300 -0.067 0.000 0.978 478 D CA 1.075 55.127 54.000 0.086 0.000 0.833 478 D CB -0.081 40.824 40.800 0.175 0.000 0.961 478 D HN 0.272 nan 8.370 nan 0.000 0.470 479 L N -0.497 120.605 121.223 -0.202 0.000 2.622 479 L HA 0.070 4.410 4.340 0.000 0.000 0.233 479 L C 1.530 178.161 176.870 -0.398 0.000 1.156 479 L CA 0.631 55.281 54.840 -0.318 0.000 0.866 479 L CB -0.220 41.574 42.059 -0.442 0.000 0.980 479 L HN 0.175 nan 8.230 nan 0.000 0.448 480 G N -0.698 107.900 108.800 -0.338 0.000 2.176 480 G HA2 -0.199 3.761 3.960 0.000 0.000 0.232 480 G HA3 -0.199 3.761 3.960 0.000 0.000 0.232 480 G C 0.523 175.182 174.900 -0.403 0.000 0.986 480 G CA -0.262 44.667 45.100 -0.285 0.000 0.643 480 G HN 0.511 nan 8.290 nan 0.000 0.522 481 G N -0.975 107.354 108.800 -0.785 0.000 2.572 481 G HA2 0.618 4.578 3.960 0.000 0.000 0.261 481 G HA3 0.618 4.578 3.960 0.000 0.000 0.261 481 G C -0.102 174.643 174.900 -0.258 0.000 1.197 481 G CA 0.169 44.702 45.100 -0.944 0.000 0.870 481 G HN 0.930 nan 8.290 nan 0.000 0.548 482 V N 0.474 120.462 119.914 0.123 0.000 2.581 482 V HA 0.396 4.517 4.120 0.000 0.000 0.303 482 V C -1.112 175.274 176.094 0.486 0.000 1.041 482 V CA -0.669 61.795 62.300 0.274 0.000 0.907 482 V CB 1.558 33.474 31.823 0.155 0.000 0.994 482 V HN 0.634 nan 8.190 nan 0.000 0.442 483 Y N 3.468 123.893 120.300 0.208 0.000 2.326 483 Y HA 0.745 5.295 4.550 0.000 0.000 0.331 483 Y C -0.075 175.796 175.900 -0.048 0.000 0.962 483 Y CA -0.945 57.211 58.100 0.093 0.000 1.167 483 Y CB 1.457 39.922 38.460 0.009 0.000 1.148 483 Y HN 0.710 nan 8.280 nan 0.000 0.463 484 A N 5.636 128.203 122.820 -0.422 0.000 2.330 484 A HA 0.757 5.078 4.320 0.000 0.000 0.313 484 A C -1.784 175.549 177.584 -0.419 0.000 1.124 484 A CA -0.659 51.157 52.037 -0.367 0.000 0.774 484 A CB 0.971 19.848 19.000 -0.206 0.000 1.198 484 A HN 0.501 nan 8.150 nan 0.000 0.465 485 V N 2.410 122.129 119.914 -0.325 0.000 2.357 485 V HA 0.606 4.726 4.120 0.000 0.000 0.284 485 V C 0.551 176.689 176.094 0.074 0.000 1.018 485 V CA -0.331 61.913 62.300 -0.093 0.000 0.841 485 V CB 1.216 33.005 31.823 -0.056 0.000 0.991 485 V HN 1.128 nan 8.190 nan 0.000 0.437 486 A N 4.348 127.281 122.820 0.187 0.000 2.301 486 A HA 0.506 4.826 4.320 0.000 0.000 0.298 486 A C 0.368 178.106 177.584 0.258 0.000 1.185 486 A CA -0.546 51.653 52.037 0.271 0.000 0.830 486 A CB 0.172 19.423 19.000 0.418 0.000 1.112 486 A HN 0.765 nan 8.150 nan 0.000 0.508 487 N N 3.321 122.174 118.700 0.256 0.000 3.298 487 N HA 0.170 4.911 4.740 0.000 0.000 0.292 487 N C -0.231 175.569 175.510 0.484 0.000 1.271 487 N CA 0.121 53.350 53.050 0.300 0.000 1.184 487 N CB 0.179 38.792 38.487 0.211 0.000 1.452 487 N HN 0.610 nan 8.380 nan 0.000 0.534 488 L N 0.739 122.169 121.223 0.346 0.000 2.492 488 L HA 0.071 4.412 4.340 0.000 0.000 0.280 488 L C 1.538 178.468 176.870 0.100 0.000 1.240 488 L CA 0.098 55.070 54.840 0.219 0.000 0.831 488 L CB 0.432 42.537 42.059 0.076 0.000 1.100 488 L HN 0.160 nan 8.230 nan 0.000 0.505 489 R N 0.246 120.504 120.500 -0.402 0.000 2.801 489 R HA 0.223 4.563 4.340 0.000 0.000 0.273 489 R C 1.120 177.202 176.300 -0.363 0.000 1.080 489 R CA 0.786 56.319 56.100 -0.946 0.000 1.197 489 R CB 0.125 29.840 30.300 -0.975 0.000 1.109 489 R HN 0.922 nan 8.270 nan 0.000 0.535 490 G N -0.369 108.285 108.800 -0.242 0.000 2.299 490 G HA2 -0.245 3.715 3.960 0.000 0.000 0.237 490 G HA3 -0.245 3.715 3.960 0.000 0.000 0.237 490 G C 0.489 175.462 174.900 0.121 0.000 1.027 490 G CA -0.111 44.967 45.100 -0.036 0.000 0.619 490 G HN 0.875 nan 8.290 nan 0.000 0.513 491 G N -0.523 108.393 108.800 0.194 0.000 2.563 491 G HA2 0.570 4.530 3.960 0.000 0.000 0.283 491 G HA3 0.570 4.530 3.960 0.000 0.000 0.283 491 G C 1.029 176.130 174.900 0.336 0.000 1.309 491 G CA 0.238 45.509 45.100 0.286 0.000 1.022 491 G HN 1.309 nan 8.290 nan 0.000 0.501 492 G N -1.482 107.424 108.800 0.176 0.000 3.277 492 G HA2 0.243 4.203 3.960 0.000 0.000 0.243 492 G HA3 0.243 4.203 3.960 0.000 0.000 0.243 492 G C 1.001 175.902 174.900 0.002 0.000 1.107 492 G CA 0.185 45.349 45.100 0.107 0.000 0.771 492 G HN 0.533 nan 8.290 nan 0.000 0.544 493 E N 0.213 120.358 120.200 -0.091 0.000 2.147 493 E HA -0.161 4.189 4.350 0.000 0.000 0.199 493 E C 0.187 176.299 176.600 -0.814 0.000 1.005 493 E CA 1.201 57.303 56.400 -0.496 0.000 0.810 493 E CB -0.203 29.113 29.700 -0.641 0.000 0.736 493 E HN 0.605 nan 8.360 nan 0.000 0.460 494 Y N -0.326 119.713 120.300 -0.435 0.000 2.685 494 Y HA 0.445 4.995 4.550 0.000 0.000 0.339 494 Y C 0.726 176.619 175.900 -0.011 0.000 0.961 494 Y CA -0.119 57.805 58.100 -0.293 0.000 1.330 494 Y CB 0.753 38.884 38.460 -0.549 0.000 1.269 494 Y HN 0.118 nan 8.280 nan 0.000 0.566 495 G N 0.356 109.217 108.800 0.102 0.000 2.782 495 G HA2 -0.339 3.621 3.960 0.000 0.000 0.228 495 G HA3 -0.339 3.621 3.960 0.000 0.000 0.228 495 G C 0.737 175.769 174.900 0.220 0.000 1.372 495 G CA 0.165 45.349 45.100 0.140 0.000 0.862 495 G HN 0.413 nan 8.290 nan 0.000 0.547 496 Q N -0.427 119.484 119.800 0.184 0.000 2.152 496 Q HA -0.098 4.242 4.340 0.000 0.000 0.206 496 Q C 2.982 179.111 176.000 0.214 0.000 0.985 496 Q CA 2.986 58.917 55.803 0.214 0.000 0.863 496 Q CB -0.447 28.384 28.738 0.155 0.000 0.904 496 Q HN 1.442 nan 8.270 nan 0.000 0.422 497 A N 0.508 123.444 122.820 0.194 0.000 1.933 497 A HA -0.203 4.117 4.320 0.000 0.000 0.218 497 A C 1.810 179.532 177.584 0.230 0.000 1.175 497 A CA 1.168 53.304 52.037 0.166 0.000 0.628 497 A CB -1.306 17.785 19.000 0.152 0.000 0.814 497 A HN 0.808 nan 8.150 nan 0.000 0.444 498 W N -0.103 121.262 121.300 0.107 0.000 2.381 498 W HA -0.179 4.482 4.660 0.000 0.000 0.301 498 W C 2.162 178.759 176.519 0.131 0.000 1.205 498 W CA 1.742 59.160 57.345 0.123 0.000 1.285 498 W CB -0.517 29.061 29.460 0.198 0.000 1.133 498 W HN 0.730 nan 8.180 nan 0.000 0.521 499 H N 0.285 119.485 119.070 0.216 0.000 2.270 499 H HA -0.204 4.353 4.556 0.000 0.000 0.299 499 H C 2.438 177.747 175.328 -0.031 0.000 1.077 499 H CA 2.153 58.248 56.048 0.077 0.000 1.294 499 H CB -0.493 29.334 29.762 0.108 0.000 1.371 499 H HN 0.047 nan 8.280 nan 0.000 0.491 500 L N 0.585 121.734 121.223 -0.122 0.000 2.191 500 L HA -0.126 4.214 4.340 0.000 0.000 0.212 500 L C 2.822 179.564 176.870 -0.212 0.000 1.103 500 L CA 0.691 55.370 54.840 -0.268 0.000 0.769 500 L CB -0.466 41.484 42.059 -0.183 0.000 0.908 500 L HN 0.392 nan 8.230 nan 0.000 0.438 501 A N -0.038 122.683 122.820 -0.165 0.000 2.248 501 A HA 0.061 4.381 4.320 0.000 0.000 0.210 501 A C 1.806 179.234 177.584 -0.259 0.000 1.174 501 A CA 1.239 53.152 52.037 -0.206 0.000 0.750 501 A CB -0.547 18.315 19.000 -0.231 0.000 0.780 501 A HN 0.443 nan 8.150 nan 0.000 0.478 502 G N -0.590 108.058 108.800 -0.253 0.000 3.839 502 G HA2 0.371 4.332 3.960 0.000 0.000 0.286 502 G HA3 0.371 4.332 3.960 0.000 0.000 0.286 502 G C 0.358 175.103 174.900 -0.258 0.000 1.005 502 G CA 0.622 45.558 45.100 -0.273 0.000 0.824 502 G HN 0.524 nan 8.290 nan 0.000 0.489 503 T N -2.798 111.593 114.554 -0.272 0.000 2.925 503 T HA 0.574 4.925 4.350 0.000 0.000 0.285 503 T C 0.647 175.197 174.700 -0.249 0.000 1.021 503 T CA -0.157 61.776 62.100 -0.278 0.000 1.042 503 T CB 2.389 71.025 68.868 -0.387 0.000 1.037 503 T HN 0.317 nan 8.240 nan 0.000 0.481 504 Q N 0.722 120.423 119.800 -0.165 0.000 2.146 504 Q HA -0.350 3.990 4.340 0.000 0.000 0.412 504 Q C 1.159 176.949 176.000 -0.350 0.000 0.668 504 Q CA 2.060 57.772 55.803 -0.152 0.000 0.931 504 Q CB -1.243 27.375 28.738 -0.199 0.000 2.824 504 Q HN 0.903 nan 8.270 nan 0.000 0.873 505 Q N 0.959 120.422 119.800 -0.561 0.000 2.387 505 Q HA 0.075 4.415 4.340 0.000 0.000 0.211 505 Q C 0.352 175.908 176.000 -0.740 0.000 0.952 505 Q CA 0.339 55.457 55.803 -1.141 0.000 0.957 505 Q CB -0.083 28.196 28.738 -0.766 0.000 1.002 505 Q HN 0.317 nan 8.270 nan 0.000 0.502 506 N N -0.708 117.746 118.700 -0.410 0.000 2.159 506 N HA -0.007 4.733 4.740 0.000 0.000 0.217 506 N C 1.050 176.440 175.510 -0.200 0.000 1.223 506 N CA -0.125 52.789 53.050 -0.226 0.000 0.896 506 N CB 0.484 38.837 38.487 -0.224 0.000 1.064 506 N HN -0.078 nan 8.380 nan 0.000 0.518 507 K N 1.693 121.976 120.400 -0.194 0.000 2.074 507 K HA -0.212 4.108 4.320 0.000 0.000 0.209 507 K C 1.975 178.204 176.600 -0.617 0.000 1.048 507 K CA 1.495 57.567 56.287 -0.359 0.000 0.926 507 K CB -0.097 32.241 32.500 -0.269 0.000 0.713 507 K HN 0.031 nan 8.250 nan 0.000 0.444 508 Q N 0.592 120.232 119.800 -0.266 0.000 2.297 508 Q HA -0.123 4.217 4.340 0.000 0.000 0.208 508 Q C 1.268 177.135 176.000 -0.221 0.000 0.981 508 Q CA 1.639 57.308 55.803 -0.223 0.000 0.876 508 Q CB -0.357 28.408 28.738 0.045 0.000 0.921 508 Q HN 0.387 nan 8.270 nan 0.000 0.446 509 N N -0.948 117.616 118.700 -0.227 0.000 2.166 509 N HA -0.120 4.620 4.740 0.000 0.000 0.186 509 N C 1.482 176.855 175.510 -0.228 0.000 1.019 509 N CA 1.416 54.352 53.050 -0.189 0.000 0.856 509 N CB -0.211 38.148 38.487 -0.213 0.000 0.993 509 N HN 0.171 nan 8.380 nan 0.000 0.426 510 V N 0.663 120.339 119.914 -0.397 0.000 2.358 510 V HA -0.167 3.953 4.120 0.000 0.000 0.246 510 V C 1.772 177.767 176.094 -0.165 0.000 1.047 510 V CA 1.261 63.342 62.300 -0.365 0.000 1.035 510 V CB -0.659 30.837 31.823 -0.544 0.000 0.658 510 V HN 0.086 nan 8.190 nan 0.000 0.452 511 F N 0.569 120.464 119.950 -0.092 0.000 2.234 511 F HA -0.064 4.463 4.527 0.000 0.000 0.299 511 F C 2.215 178.044 175.800 0.049 0.000 1.087 511 F CA 0.773 58.757 58.000 -0.028 0.000 1.340 511 F CB -1.058 37.892 39.000 -0.083 0.000 1.031 511 F HN 0.214 nan 8.300 nan 0.000 0.500 512 D N 0.185 120.685 120.400 0.167 0.000 2.144 512 D HA -0.133 4.507 4.640 0.000 0.000 0.200 512 D C 1.794 178.187 176.300 0.154 0.000 0.978 512 D CA 1.197 55.274 54.000 0.129 0.000 0.833 512 D CB -0.342 40.498 40.800 0.068 0.000 0.961 512 D HN 0.200 nan 8.370 nan 0.000 0.470 513 D N -0.249 120.245 120.400 0.157 0.000 2.117 513 D HA -0.126 4.514 4.640 0.000 0.000 0.198 513 D C 1.849 178.355 176.300 0.344 0.000 0.982 513 D CA 0.388 54.547 54.000 0.263 0.000 0.828 513 D CB -0.392 40.520 40.800 0.187 0.000 0.967 513 D HN 0.123 nan 8.370 nan 0.000 0.464 514 F N 1.443 121.454 119.950 0.103 0.000 2.102 514 F HA -0.096 4.431 4.527 0.000 0.000 0.298 514 F C 2.282 178.083 175.800 0.002 0.000 1.105 514 F CA 0.670 58.704 58.000 0.057 0.000 1.239 514 F CB -0.540 38.498 39.000 0.064 0.000 0.991 514 F HN -0.116 nan 8.300 nan 0.000 0.474 515 I N -0.305 120.342 120.570 0.129 0.000 2.208 515 I HA -0.340 3.830 4.170 0.000 0.000 0.245 515 I C 2.547 178.626 176.117 -0.063 0.000 1.097 515 I CA 1.390 62.694 61.300 0.007 0.000 1.363 515 I CB -0.823 37.218 38.000 0.068 0.000 1.051 515 I HN 0.133 nan 8.210 nan 0.000 0.413 516 A N 0.397 123.204 122.820 -0.022 0.000 2.015 516 A HA -0.033 4.287 4.320 0.000 0.000 0.219 516 A C 2.477 179.793 177.584 -0.446 0.000 1.163 516 A CA 1.524 53.517 52.037 -0.073 0.000 0.646 516 A CB -0.594 18.487 19.000 0.136 0.000 0.806 516 A HN 0.436 nan 8.150 nan 0.000 0.448 517 A N -0.068 122.362 122.820 -0.650 0.000 1.897 517 A HA 0.263 4.584 4.320 0.000 0.000 0.215 517 A C 2.473 179.800 177.584 -0.429 0.000 1.181 517 A CA 1.656 53.129 52.037 -0.940 0.000 0.620 517 A CB -0.931 17.730 19.000 -0.565 0.000 0.821 517 A HN 0.954 nan 8.150 nan 0.000 0.443 518 A N 0.259 122.865 122.820 -0.356 0.000 1.908 518 A HA -0.207 4.113 4.320 0.000 0.000 0.218 518 A C 1.898 179.408 177.584 -0.124 0.000 1.181 518 A CA 1.739 53.631 52.037 -0.242 0.000 0.627 518 A CB -0.575 18.280 19.000 -0.242 0.000 0.818 518 A HN 0.653 nan 8.150 nan 0.000 0.445 519 E N -1.767 118.371 120.200 -0.103 0.000 2.072 519 E HA -0.208 4.142 4.350 0.000 0.000 0.191 519 E C 1.911 178.516 176.600 0.008 0.000 0.985 519 E CA 1.414 57.793 56.400 -0.035 0.000 0.801 519 E CB -0.355 29.339 29.700 -0.011 0.000 0.750 519 E HN 0.796 nan 8.360 nan 0.000 0.452 520 Y N 1.664 121.879 120.300 -0.141 0.000 2.145 520 Y HA -0.212 4.339 4.550 0.000 0.000 0.286 520 Y C 2.028 177.937 175.900 0.015 0.000 1.145 520 Y CA 1.393 59.458 58.100 -0.059 0.000 1.148 520 Y CB -0.166 38.221 38.460 -0.122 0.000 0.981 520 Y HN -0.064 nan 8.280 nan 0.000 0.507 521 L N 0.083 121.381 121.223 0.124 0.000 2.079 521 L HA -0.265 4.075 4.340 0.000 0.000 0.210 521 L C 2.302 179.216 176.870 0.072 0.000 1.081 521 L CA 1.800 56.720 54.840 0.133 0.000 0.752 521 L CB -0.441 41.650 42.059 0.052 0.000 0.896 521 L HN 0.235 nan 8.230 nan 0.000 0.433 522 K N -0.257 120.143 120.400 -0.000 0.000 2.076 522 K HA -0.008 4.312 4.320 0.000 0.000 0.204 522 K C 2.270 178.831 176.600 -0.065 0.000 1.051 522 K CA 1.069 57.344 56.287 -0.021 0.000 0.949 522 K CB -0.259 32.228 32.500 -0.022 0.000 0.726 522 K HN 0.208 nan 8.250 nan 0.000 0.443 523 A N 1.919 124.685 122.820 -0.091 0.000 1.940 523 A HA -0.173 4.147 4.320 0.000 0.000 0.219 523 A C 1.717 179.188 177.584 -0.189 0.000 1.176 523 A CA 1.494 53.459 52.037 -0.120 0.000 0.631 523 A CB -0.225 18.713 19.000 -0.104 0.000 0.814 523 A HN 0.152 nan 8.150 nan 0.000 0.446 524 E N -1.266 118.764 120.200 -0.283 0.000 2.502 524 E HA 0.171 4.521 4.350 0.000 0.000 0.194 524 E C 1.265 177.655 176.600 -0.350 0.000 1.062 524 E CA 0.662 56.858 56.400 -0.340 0.000 0.867 524 E CB -0.264 29.174 29.700 -0.436 0.000 0.888 524 E HN 0.808 nan 8.360 nan 0.000 0.510 525 G N 0.764 109.425 108.800 -0.231 0.000 2.143 525 G HA2 -0.350 3.610 3.960 0.000 0.000 0.249 525 G HA3 -0.350 3.610 3.960 0.000 0.000 0.249 525 G C 0.728 175.482 174.900 -0.243 0.000 0.981 525 G CA 0.517 45.482 45.100 -0.225 0.000 0.665 525 G HN 0.320 nan 8.290 nan 0.000 0.528 526 Y N 0.133 120.367 120.300 -0.110 0.000 2.263 526 Y HA 0.351 4.901 4.550 0.000 0.000 0.292 526 Y C 2.064 177.919 175.900 -0.074 0.000 1.130 526 Y CA 2.023 60.056 58.100 -0.111 0.000 1.179 526 Y CB 0.199 38.606 38.460 -0.088 0.000 0.998 526 Y HN 0.428 nan 8.280 nan 0.000 0.532 527 T N -1.028 113.587 114.554 0.102 0.000 2.665 527 T HA 0.575 4.925 4.350 0.000 0.000 0.303 527 T C -1.654 173.063 174.700 0.029 0.000 1.334 527 T CA -1.013 61.126 62.100 0.064 0.000 1.011 527 T CB 1.323 70.246 68.868 0.091 0.000 1.573 527 T HN 0.176 nan 8.240 nan 0.000 0.492 528 R N -0.249 120.267 120.500 0.027 0.000 2.817 528 R HA 0.595 4.935 4.340 0.000 0.000 0.268 528 R C 0.596 176.904 176.300 0.014 0.000 1.027 528 R CA -0.569 55.536 56.100 0.008 0.000 0.928 528 R CB 0.268 30.566 30.300 -0.002 0.000 1.228 528 R HN 0.520 nan 8.270 nan 0.000 0.469 529 T N 0.735 115.291 114.554 0.002 0.000 2.624 529 T HA -0.227 4.123 4.350 0.000 0.000 0.268 529 T C 0.959 175.663 174.700 0.007 0.000 1.041 529 T CA 2.409 64.510 62.100 0.001 0.000 1.159 529 T CB -0.546 68.320 68.868 -0.003 0.000 0.863 529 T HN 0.826 nan 8.240 nan 0.000 0.434 530 D N 0.259 120.660 120.400 0.003 0.000 2.352 530 D HA -0.052 4.589 4.640 0.000 0.000 0.232 530 D C 1.458 177.770 176.300 0.021 0.000 1.055 530 D CA 0.298 54.297 54.000 -0.002 0.000 0.891 530 D CB -0.083 40.708 40.800 -0.016 0.000 0.897 530 D HN 0.180 nan 8.370 nan 0.000 0.529 531 R N -0.312 120.218 120.500 0.050 0.000 2.596 531 R HA 0.281 4.621 4.340 0.000 0.000 0.369 531 R C -0.519 175.864 176.300 0.140 0.000 1.042 531 R CA -0.530 55.638 56.100 0.112 0.000 1.120 531 R CB 0.484 30.846 30.300 0.102 0.000 1.353 531 R HN 0.188 nan 8.270 nan 0.000 0.564 532 L N 0.699 121.978 121.223 0.093 0.000 2.322 532 L HA 0.725 5.065 4.340 0.000 0.000 0.281 532 L C -0.958 175.960 176.870 0.081 0.000 1.014 532 L CA -0.718 54.172 54.840 0.084 0.000 0.815 532 L CB 1.750 43.825 42.059 0.027 0.000 1.247 532 L HN 0.088 nan 8.230 nan 0.000 0.421 533 A N 5.799 128.677 122.820 0.096 0.000 2.401 533 A HA 0.844 5.164 4.320 0.000 0.000 0.310 533 A C -1.012 176.613 177.584 0.068 0.000 1.075 533 A CA -0.606 51.485 52.037 0.090 0.000 0.746 533 A CB 1.263 20.330 19.000 0.110 0.000 1.277 533 A HN 0.823 nan 8.150 nan 0.000 0.425 534 I N -0.837 119.787 120.570 0.090 0.000 2.509 534 I HA 0.914 5.084 4.170 0.000 0.000 0.293 534 I C -0.538 175.693 176.117 0.190 0.000 1.020 534 I CA -0.894 60.486 61.300 0.133 0.000 1.088 534 I CB 1.908 39.994 38.000 0.143 0.000 1.267 534 I HN 0.649 nan 8.210 nan 0.000 0.430 535 R N 3.821 124.473 120.500 0.254 0.000 2.740 535 R HA 0.929 5.270 4.340 0.000 0.000 0.282 535 R C -0.897 175.496 176.300 0.156 0.000 0.969 535 R CA -0.394 55.851 56.100 0.241 0.000 0.918 535 R CB 2.209 32.707 30.300 0.329 0.000 1.175 535 R HN 1.089 nan 8.270 nan 0.000 0.464 536 G N 0.280 109.119 108.800 0.064 0.000 2.655 536 G HA2 0.510 4.470 3.960 0.000 0.000 0.296 536 G HA3 0.510 4.470 3.960 0.000 0.000 0.296 536 G C -1.442 173.441 174.900 -0.027 0.000 1.485 536 G CA -0.292 44.729 45.100 -0.132 0.000 0.869 536 G HN 0.785 nan 8.290 nan 0.000 0.540 540 G N 0.333 108.861 108.800 -0.454 0.000 2.534 540 G HA2 0.057 4.017 3.960 0.000 0.000 0.217 540 G HA3 0.057 4.017 3.960 0.000 0.000 0.217 540 G C 1.240 175.988 174.900 -0.252 0.000 1.128 540 G CA 1.185 46.079 45.100 -0.343 0.000 0.784 540 G HN 0.375 nan 8.290 nan 0.000 0.542 541 G N 0.791 109.468 108.800 -0.205 0.000 2.408 541 G HA2 -0.014 3.946 3.960 0.000 0.000 0.215 541 G HA3 -0.014 3.946 3.960 0.000 0.000 0.215 541 G C 1.648 176.398 174.900 -0.251 0.000 1.156 541 G CA 0.833 45.818 45.100 -0.192 0.000 0.793 541 G HN 0.395 nan 8.290 nan 0.000 0.535 542 L N 0.446 121.519 121.223 -0.249 0.000 2.046 542 L HA 0.089 4.429 4.340 0.000 0.000 0.208 542 L C 2.480 179.222 176.870 -0.213 0.000 1.077 542 L CA 1.596 56.294 54.840 -0.238 0.000 0.747 542 L CB -0.644 41.312 42.059 -0.173 0.000 0.896 542 L HN 0.162 nan 8.230 nan 0.000 0.432 543 L N -0.806 120.324 121.223 -0.154 0.000 1.990 543 L HA -0.197 4.143 4.340 0.000 0.000 0.213 543 L C 2.387 179.144 176.870 -0.188 0.000 1.072 543 L CA 2.235 56.994 54.840 -0.135 0.000 0.755 543 L CB -0.863 41.004 42.059 -0.320 0.000 0.889 543 L HN 0.148 nan 8.230 nan 0.000 0.432 544 V N 0.158 119.982 119.914 -0.150 0.000 2.343 544 V HA -0.213 3.907 4.120 0.000 0.000 0.247 544 V C 2.628 178.676 176.094 -0.076 0.000 1.051 544 V CA 1.789 64.072 62.300 -0.028 0.000 1.036 544 V CB -1.645 30.178 31.823 0.001 0.000 0.654 544 V HN 0.666 nan 8.190 nan 0.000 0.451 545 G N -0.494 108.181 108.800 -0.209 0.000 2.418 545 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 545 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 545 G C 1.741 176.528 174.900 -0.189 0.000 1.158 545 G CA 1.097 46.032 45.100 -0.274 0.000 0.771 545 G HN 0.611 nan 8.290 nan 0.000 0.545 546 A N -0.030 122.569 122.820 -0.369 0.000 1.872 546 A HA 0.343 4.663 4.320 0.000 0.000 0.214 546 A C 1.623 178.981 177.584 -0.376 0.000 1.187 546 A CA 0.850 52.553 52.037 -0.557 0.000 0.614 546 A CB -0.503 17.563 19.000 -1.556 0.000 0.826 546 A HN 0.219 nan 8.150 nan 0.000 0.442 550 Q N 0.606 120.449 119.800 0.071 0.000 2.163 550 Q HA 0.253 4.593 4.340 0.000 0.000 0.198 550 Q C 0.501 176.532 176.000 0.051 0.000 0.954 550 Q CA 0.553 56.383 55.803 0.045 0.000 0.851 550 Q CB 0.358 29.100 28.738 0.006 0.000 0.928 550 Q HN 0.163 nan 8.270 nan 0.000 0.459 551 R N 0.796 121.329 120.500 0.056 0.000 2.681 551 R HA 0.192 4.532 4.340 0.000 0.000 0.277 551 R C -2.228 174.106 176.300 0.057 0.000 1.563 551 R CA -1.440 54.687 56.100 0.045 0.000 1.673 551 R CB 0.680 31.000 30.300 0.034 0.000 1.258 551 R HN 0.150 nan 8.270 nan 0.000 0.650 552 P HA -0.123 nan 4.420 nan 0.000 0.231 552 P C 0.361 177.680 177.300 0.032 0.000 1.158 552 P CA 0.976 64.123 63.100 0.078 0.000 0.763 552 P CB 0.340 32.044 31.700 0.007 0.000 0.805 553 D N -1.313 119.095 120.400 0.014 0.000 2.348 553 D HA -0.005 4.635 4.640 0.000 0.000 0.211 553 D C 1.022 177.327 176.300 0.008 0.000 0.998 553 D CA -0.177 53.828 54.000 0.007 0.000 0.873 553 D CB -0.332 40.468 40.800 -0.000 0.000 0.925 553 D HN 0.141 nan 8.370 nan 0.000 0.524 557 V N 1.211 121.137 119.914 0.020 0.000 2.709 557 V HA 0.912 5.032 4.120 0.000 0.000 0.308 557 V C -0.969 175.199 176.094 0.124 0.000 1.062 557 V CA -0.483 61.868 62.300 0.086 0.000 0.901 557 V CB 1.732 33.627 31.823 0.119 0.000 1.003 557 V HN 0.280 nan 8.190 nan 0.000 0.425 558 A N 4.996 127.917 122.820 0.168 0.000 2.356 558 A HA 0.934 5.254 4.320 0.000 0.000 0.310 558 A C -1.063 176.615 177.584 0.157 0.000 1.075 558 A CA -0.447 51.682 52.037 0.153 0.000 0.746 558 A CB 1.104 20.194 19.000 0.150 0.000 1.221 558 A HN 0.818 nan 8.150 nan 0.000 0.443 559 L N 4.157 125.455 121.223 0.124 0.000 2.488 559 L HA 0.350 4.690 4.340 0.000 0.000 0.250 559 L C -2.520 174.381 176.870 0.051 0.000 1.280 559 L CA -1.402 53.489 54.840 0.084 0.000 0.929 559 L CB 1.768 43.876 42.059 0.081 0.000 1.200 559 L HN 0.456 nan 8.230 nan 0.000 0.495 560 P HA 0.304 nan 4.420 nan 0.000 0.287 560 P C -0.618 176.660 177.300 -0.037 0.000 1.294 560 P CA -0.041 63.041 63.100 -0.029 0.000 0.776 560 P CB 1.926 33.575 31.700 -0.084 0.000 0.889 561 A N 4.267 127.063 122.820 -0.039 0.000 2.312 561 A HA 0.473 4.793 4.320 0.000 0.000 0.326 561 A C 0.932 178.473 177.584 -0.071 0.000 1.172 561 A CA -0.573 51.437 52.037 -0.046 0.000 0.821 561 A CB 0.502 19.483 19.000 -0.032 0.000 1.166 561 A HN 0.603 nan 8.150 nan 0.000 0.493 562 V N -0.132 119.744 119.914 -0.064 0.000 4.773 562 V HA -0.225 3.895 4.120 0.000 0.000 0.227 562 V C 0.693 176.767 176.094 -0.033 0.000 0.653 562 V CA 0.673 62.951 62.300 -0.037 0.000 0.744 562 V CB -2.452 29.315 31.823 -0.093 0.000 0.646 562 V HN 1.691 nan 8.190 nan 0.000 0.869 563 G N -0.517 108.220 108.800 -0.104 0.000 2.539 563 G HA2 0.525 4.485 3.960 0.000 0.000 0.258 563 G HA3 0.525 4.485 3.960 0.000 0.000 0.258 563 G C -0.247 174.481 174.900 -0.287 0.000 1.202 563 G CA -0.210 44.776 45.100 -0.190 0.000 0.851 563 G HN 1.114 nan 8.290 nan 0.000 0.556 564 V N 2.545 122.234 119.914 -0.374 0.000 2.356 564 V HA 0.145 4.265 4.120 0.000 0.000 0.258 564 V C 0.918 176.721 176.094 -0.484 0.000 1.065 564 V CA -0.022 61.915 62.300 -0.605 0.000 0.935 564 V CB 0.475 32.049 31.823 -0.415 0.000 1.061 564 V HN 0.656 nan 8.190 nan 0.000 0.484 565 L N 1.624 122.595 121.223 -0.420 0.000 2.575 565 L HA 0.345 4.685 4.340 0.000 0.000 0.228 565 L C 0.994 177.912 176.870 0.081 0.000 1.075 565 L CA 0.343 55.064 54.840 -0.199 0.000 0.867 565 L CB 0.220 42.098 42.059 -0.301 0.000 1.097 565 L HN 0.563 nan 8.230 nan 0.000 0.485 569 R N -0.575 120.119 120.500 0.324 0.000 2.487 569 R HA 0.114 4.454 4.340 0.000 0.000 0.272 569 R C 1.874 178.184 176.300 0.018 0.000 0.928 569 R CA 0.341 56.506 56.100 0.108 0.000 1.077 569 R CB 0.312 30.675 30.300 0.104 0.000 1.265 569 R HN 0.337 nan 8.270 nan 0.000 0.537 570 Y N 1.934 122.504 120.300 0.451 0.000 2.132 570 Y HA -0.340 4.210 4.550 0.000 0.000 0.280 570 Y C 2.168 178.292 175.900 0.373 0.000 1.193 570 Y CA 1.990 60.475 58.100 0.643 0.000 1.157 570 Y CB -0.958 37.901 38.460 0.666 0.000 0.966 570 Y HN 0.185 nan 8.280 nan 0.000 0.511 571 H N 0.039 118.574 119.070 -0.891 0.000 2.559 571 H HA 0.027 4.583 4.556 0.000 0.000 0.273 571 H C 1.508 176.599 175.328 -0.395 0.000 1.000 571 H CA 1.369 57.006 56.048 -0.685 0.000 1.195 571 H CB -1.162 28.135 29.762 -0.775 0.000 1.368 571 H HN 0.590 nan 8.280 nan 0.000 0.592 572 T N -2.475 111.501 114.554 -0.963 0.000 3.100 572 T HA 0.121 4.471 4.350 0.000 0.000 0.253 572 T C 0.225 174.512 174.700 -0.688 0.000 1.118 572 T CA -0.410 61.158 62.100 -0.886 0.000 1.058 572 T CB -0.442 67.807 68.868 -1.032 0.000 0.953 572 T HN 0.036 nan 8.240 nan 0.000 0.515 573 F N 2.696 122.553 119.950 -0.154 0.000 2.440 573 F HA 0.525 5.052 4.527 0.000 0.000 0.328 573 F C 1.967 177.707 175.800 -0.100 0.000 1.070 573 F CA -0.636 57.313 58.000 -0.085 0.000 1.011 573 F CB 0.801 39.793 39.000 -0.013 0.000 1.226 573 F HN 0.209 nan 8.300 nan 0.000 0.491 574 T N 0.039 114.682 114.554 0.148 0.000 1.603 574 T HA -0.418 3.933 4.350 0.000 0.000 0.082 574 T C 0.879 175.525 174.700 -0.090 0.000 1.830 574 T CA 1.490 63.606 62.100 0.027 0.000 0.739 574 T CB -1.421 67.491 68.868 0.073 0.000 0.770 574 T HN 1.199 nan 8.240 nan 0.000 0.388 575 A N 1.374 124.129 122.820 -0.108 0.000 2.793 575 A HA 0.742 5.062 4.320 0.000 0.000 0.301 575 A C 1.916 179.191 177.584 -0.515 0.000 1.172 575 A CA 0.751 52.670 52.037 -0.196 0.000 0.973 575 A CB -0.440 18.575 19.000 0.026 0.000 1.164 575 A HN 1.209 nan 8.150 nan 0.000 0.542 576 G N -0.145 108.286 108.800 -0.615 0.000 2.422 576 G HA2 -0.174 3.786 3.960 0.000 0.000 0.218 576 G HA3 -0.174 3.786 3.960 0.000 0.000 0.218 576 G C 1.365 175.945 174.900 -0.533 0.000 1.146 576 G CA 1.788 46.221 45.100 -1.112 0.000 0.769 576 G HN 0.396 nan 8.290 nan 0.000 0.547 577 T N 1.112 115.531 114.554 -0.225 0.000 2.822 577 T HA -0.096 4.254 4.350 0.000 0.000 0.270 577 T C 2.327 177.041 174.700 0.023 0.000 1.064 577 T CA 1.281 63.366 62.100 -0.025 0.000 1.131 577 T CB -0.389 68.455 68.868 -0.040 0.000 0.858 577 T HN 0.377 nan 8.240 nan 0.000 0.483 578 G N -0.262 108.459 108.800 -0.131 0.000 2.586 578 G HA2 -0.123 3.837 3.960 0.000 0.000 0.215 578 G HA3 -0.123 3.837 3.960 0.000 0.000 0.215 578 G C 0.700 175.813 174.900 0.355 0.000 1.128 578 G CA 0.063 45.241 45.100 0.130 0.000 0.774 578 G HN 0.548 nan 8.290 nan 0.000 0.543 579 W N -0.347 121.209 121.300 0.426 0.000 3.132 579 W HA 0.550 5.210 4.660 0.000 0.000 0.364 579 W C 1.835 178.572 176.519 0.364 0.000 1.129 579 W CA -0.954 56.652 57.345 0.435 0.000 1.815 579 W CB -0.834 28.850 29.460 0.373 0.000 1.099 579 W HN 0.221 nan 8.180 nan 0.000 0.605 580 A N 0.294 123.431 122.820 0.529 0.000 1.978 580 A HA -0.281 4.039 4.320 0.000 0.000 0.220 580 A C 1.768 179.529 177.584 0.295 0.000 1.170 580 A CA 1.628 53.912 52.037 0.412 0.000 0.636 580 A CB -1.183 17.980 19.000 0.271 0.000 0.810 580 A HN 0.333 nan 8.150 nan 0.000 0.448 581 Y N 0.418 120.811 120.300 0.155 0.000 2.165 581 Y HA -0.252 4.298 4.550 0.000 0.000 0.286 581 Y C 1.867 177.721 175.900 -0.077 0.000 1.155 581 Y CA 2.291 60.420 58.100 0.049 0.000 1.164 581 Y CB -0.145 38.362 38.460 0.078 0.000 0.978 581 Y HN 0.418 nan 8.280 nan 0.000 0.513 582 D N -2.130 118.289 120.400 0.032 0.000 2.216 582 D HA -0.081 4.559 4.640 0.000 0.000 0.208 582 D C 1.121 177.319 176.300 -0.170 0.000 0.960 582 D CA 1.216 55.005 54.000 -0.351 0.000 0.861 582 D CB 0.003 40.037 40.800 -1.276 0.000 0.985 582 D HN 0.348 nan 8.370 nan 0.000 0.493 583 Y N -0.251 120.099 120.300 0.083 0.000 2.535 583 Y HA 0.382 4.933 4.550 0.000 0.000 0.266 583 Y C 1.380 177.392 175.900 0.186 0.000 1.088 583 Y CA 0.320 58.502 58.100 0.137 0.000 1.285 583 Y CB 0.029 38.565 38.460 0.125 0.000 1.166 583 Y HN -0.085 nan 8.280 nan 0.000 0.525 584 G N 0.690 109.697 108.800 0.346 0.000 2.787 584 G HA2 -0.017 3.943 3.960 0.000 0.000 0.685 584 G HA3 -0.017 3.943 3.960 0.000 0.000 0.685 584 G C -0.159 174.918 174.900 0.295 0.000 1.437 584 G CA -0.286 44.948 45.100 0.223 0.000 0.872 584 G HN 0.509 nan 8.290 nan 0.000 0.566 585 T N -2.861 111.762 114.554 0.116 0.000 2.930 585 T HA 0.752 5.102 4.350 0.000 0.000 0.290 585 T C 1.634 176.328 174.700 -0.009 0.000 1.052 585 T CA 0.685 62.742 62.100 -0.070 0.000 1.017 585 T CB 1.570 70.124 68.868 -0.524 0.000 1.137 585 T HN 2.102 nan 8.240 nan 0.000 0.511 586 S N 0.033 115.713 115.700 -0.034 0.000 2.547 586 S HA 0.092 4.562 4.470 0.000 0.000 0.235 586 S C 1.698 176.474 174.600 0.292 0.000 0.980 586 S CA 0.264 58.579 58.200 0.192 0.000 0.941 586 S CB -0.630 62.645 63.200 0.124 0.000 0.763 586 S HN 1.076 nan 8.310 nan 0.000 0.532 587 A N 0.638 123.529 122.820 0.118 0.000 2.348 587 A HA 0.299 4.619 4.320 0.000 0.000 0.224 587 A C 1.306 179.022 177.584 0.221 0.000 1.227 587 A CA 0.044 52.166 52.037 0.142 0.000 0.885 587 A CB 0.037 19.063 19.000 0.043 0.000 0.933 587 A HN 0.330 nan 8.150 nan 0.000 0.506 588 D N 0.797 121.321 120.400 0.206 0.000 2.103 588 D HA 0.026 4.666 4.640 0.000 0.000 0.199 588 D C 0.930 177.349 176.300 0.198 0.000 0.978 588 D CA 1.870 55.964 54.000 0.157 0.000 0.829 588 D CB 0.117 40.967 40.800 0.084 0.000 0.981 588 D HN 0.537 nan 8.370 nan 0.000 0.464 589 S N -2.031 113.774 115.700 0.176 0.000 2.633 589 S HA 0.123 4.593 4.470 0.000 0.000 0.271 589 S C 0.358 174.506 174.600 -0.752 0.000 1.112 589 S CA -0.814 57.270 58.200 -0.193 0.000 0.828 589 S CB 1.543 64.671 63.200 -0.120 0.000 1.086 589 S HN -0.022 nan 8.310 nan 0.000 0.461 590 E N 0.541 119.948 120.200 -1.323 0.000 2.153 590 E HA 0.056 4.406 4.350 0.000 0.000 0.194 590 E C 1.091 177.546 176.600 -0.242 0.000 0.988 590 E CA 1.040 56.868 56.400 -0.952 0.000 0.811 590 E CB -0.273 29.043 29.700 -0.640 0.000 0.746 590 E HN 0.804 nan 8.360 nan 0.000 0.466 594 D N 0.774 120.938 120.400 -0.395 0.000 2.104 594 D HA -0.200 4.440 4.640 0.000 0.000 0.194 594 D C 1.872 177.980 176.300 -0.320 0.000 0.994 594 D CA 2.256 55.970 54.000 -0.475 0.000 0.830 594 D CB -0.676 40.027 40.800 -0.163 0.000 0.959 594 D HN 0.472 nan 8.370 nan 0.000 0.452 595 Y N 1.256 121.429 120.300 -0.211 0.000 2.128 595 Y HA -0.175 4.375 4.550 0.000 0.000 0.284 595 Y C 2.369 178.166 175.900 -0.172 0.000 1.154 595 Y CA 1.309 59.352 58.100 -0.096 0.000 1.149 595 Y CB -0.297 38.159 38.460 -0.006 0.000 0.976 595 Y HN -0.088 nan 8.280 nan 0.000 0.505 596 L N 0.076 121.215 121.223 -0.139 0.000 2.017 596 L HA -0.244 4.096 4.340 0.000 0.000 0.208 596 L C 2.553 179.052 176.870 -0.617 0.000 1.073 596 L CA 1.824 56.389 54.840 -0.458 0.000 0.745 596 L CB -0.558 41.372 42.059 -0.214 0.000 0.894 596 L HN 0.115 nan 8.230 nan 0.000 0.432 597 K N 0.226 120.268 120.400 -0.596 0.000 2.209 597 K HA -0.143 4.177 4.320 0.000 0.000 0.204 597 K C 1.947 178.323 176.600 -0.374 0.000 1.048 597 K CA 1.221 57.169 56.287 -0.564 0.000 0.940 597 K CB -0.226 31.773 32.500 -0.835 0.000 0.729 597 K HN 0.364 nan 8.250 nan 0.000 0.451 598 G N 0.022 108.600 108.800 -0.370 0.000 2.509 598 G HA2 -0.221 3.740 3.960 0.000 0.000 0.218 598 G HA3 -0.221 3.740 3.960 0.000 0.000 0.218 598 G C 1.042 175.875 174.900 -0.112 0.000 1.124 598 G CA 1.065 46.022 45.100 -0.237 0.000 0.776 598 G HN 0.593 nan 8.290 nan 0.000 0.547 599 Y N -1.589 118.614 120.300 -0.161 0.000 2.476 599 Y HA 0.485 5.035 4.550 0.000 0.000 0.261 599 Y C 0.957 176.812 175.900 -0.076 0.000 1.077 599 Y CA -0.729 57.308 58.100 -0.105 0.000 1.240 599 Y CB -0.297 38.150 38.460 -0.021 0.000 1.317 599 Y HN -0.013 nan 8.280 nan 0.000 0.540 600 S N 4.149 119.660 115.700 -0.315 0.000 2.737 600 S HA 0.027 4.497 4.470 0.000 0.000 0.315 600 S C -1.413 173.216 174.600 0.048 0.000 1.236 600 S CA -0.572 57.553 58.200 -0.126 0.000 1.093 600 S CB 0.485 63.680 63.200 -0.008 0.000 0.832 600 S HN 0.260 nan 8.310 nan 0.000 0.507 601 P HA -0.161 nan 4.420 nan 0.000 0.215 601 P C 1.641 179.074 177.300 0.222 0.000 1.163 601 P CA 0.647 63.791 63.100 0.073 0.000 0.894 601 P CB 0.018 31.597 31.700 -0.202 0.000 0.791 602 L N -0.854 120.460 121.223 0.151 0.000 2.079 602 L HA -0.181 4.159 4.340 0.000 0.000 0.210 602 L C 1.766 178.527 176.870 -0.181 0.000 1.081 602 L CA 2.049 56.913 54.840 0.040 0.000 0.752 602 L CB -1.467 40.495 42.059 -0.162 0.000 0.896 602 L HN 0.175 nan 8.230 nan 0.000 0.433 603 H N -0.942 118.178 119.070 0.083 0.000 2.526 603 H HA 0.245 4.802 4.556 0.000 0.000 0.274 603 H C 0.494 175.840 175.328 0.031 0.000 0.999 603 H CA 0.237 56.311 56.048 0.044 0.000 1.157 603 H CB 0.058 29.822 29.762 0.004 0.000 1.407 603 H HN 0.486 nan 8.280 nan 0.000 0.568 604 N N 0.699 119.466 118.700 0.111 0.000 2.241 604 N HA 0.068 4.808 4.740 0.000 0.000 0.238 604 N C -0.290 175.282 175.510 0.103 0.000 1.244 604 N CA 0.094 53.202 53.050 0.097 0.000 0.880 604 N CB 2.001 40.537 38.487 0.081 0.000 1.179 604 N HN -0.051 nan 8.380 nan 0.000 0.513 605 V N 1.755 121.700 119.914 0.052 0.000 2.498 605 V HA 0.312 4.432 4.120 0.000 0.000 0.279 605 V C 0.345 176.508 176.094 0.116 0.000 1.048 605 V CA -0.155 62.145 62.300 -0.001 0.000 0.967 605 V CB 1.197 32.888 31.823 -0.221 0.000 0.988 605 V HN 0.038 nan 8.190 nan 0.000 0.473 606 R N 4.791 125.445 120.500 0.257 0.000 2.561 606 R HA 0.446 4.786 4.340 0.000 0.000 0.297 606 R C -2.823 173.575 176.300 0.163 0.000 0.969 606 R CA -1.968 54.233 56.100 0.169 0.000 0.879 606 R CB 2.038 32.414 30.300 0.126 0.000 1.178 606 R HN 0.416 nan 8.270 nan 0.000 0.445 607 P HA -0.037 nan 4.420 nan 0.000 0.265 607 P C 0.664 177.999 177.300 0.059 0.000 1.187 607 P CA 1.045 64.197 63.100 0.087 0.000 0.766 607 P CB 0.660 32.398 31.700 0.065 0.000 0.820 608 G N 0.811 109.638 108.800 0.046 0.000 2.225 608 G HA2 -0.223 3.737 3.960 0.000 0.000 0.254 608 G HA3 -0.223 3.737 3.960 0.000 0.000 0.254 608 G C 0.125 174.999 174.900 -0.043 0.000 0.988 608 G CA -0.032 45.073 45.100 0.008 0.000 0.625 608 G HN 0.538 nan 8.290 nan 0.000 0.527 609 V N 1.250 121.113 119.914 -0.086 0.000 2.649 609 V HA 0.602 4.722 4.120 0.000 0.000 0.292 609 V C 0.968 176.824 176.094 -0.396 0.000 1.055 609 V CA 0.503 62.622 62.300 -0.302 0.000 1.023 609 V CB 1.737 33.243 31.823 -0.529 0.000 0.992 609 V HN 0.460 nan 8.190 nan 0.000 0.480 610 S N 4.397 119.894 115.700 -0.338 0.000 2.409 610 S HA 0.465 4.935 4.470 0.000 0.000 0.308 610 S C -0.678 173.788 174.600 -0.224 0.000 1.080 610 S CA -0.471 57.618 58.200 -0.184 0.000 1.081 610 S CB -0.444 62.712 63.200 -0.074 0.000 1.009 610 S HN 0.444 nan 8.310 nan 0.000 0.502 611 Y N 5.110 125.473 120.300 0.105 0.000 2.326 611 Y HA 0.427 4.977 4.550 0.000 0.000 0.324 611 Y C -1.425 174.572 175.900 0.162 0.000 1.291 611 Y CA -2.036 56.124 58.100 0.099 0.000 1.348 611 Y CB 0.323 38.809 38.460 0.043 0.000 1.294 611 Y HN 0.482 nan 8.280 nan 0.000 0.525 612 P HA 0.044 nan 4.420 nan 0.000 0.274 612 P C -0.767 176.589 177.300 0.093 0.000 1.260 612 P CA -0.350 62.769 63.100 0.032 0.000 0.793 612 P CB 0.603 32.321 31.700 0.031 0.000 1.048 613 S N -0.348 115.328 115.700 -0.041 0.000 2.531 613 S HA 0.305 4.775 4.470 0.000 0.000 0.279 613 S C 0.394 175.186 174.600 0.321 0.000 1.305 613 S CA 0.170 58.481 58.200 0.186 0.000 1.058 613 S CB -0.313 62.911 63.200 0.040 0.000 0.899 613 S HN 0.458 nan 8.310 nan 0.000 0.493 617 T N 0.116 114.663 114.554 -0.011 0.000 2.841 617 T HA 0.913 5.263 4.350 0.000 0.000 0.283 617 T C -0.489 174.215 174.700 0.007 0.000 1.000 617 T CA -0.494 61.598 62.100 -0.013 0.000 0.977 617 T CB 2.356 71.201 68.868 -0.038 0.000 0.979 617 T HN 0.930 nan 8.240 nan 0.000 0.446 618 T N 0.049 114.623 114.554 0.033 0.000 2.626 618 T HA 0.781 5.131 4.350 0.000 0.000 0.299 618 T C -1.868 172.869 174.700 0.062 0.000 1.181 618 T CA -0.088 62.033 62.100 0.036 0.000 1.053 618 T CB 1.120 70.004 68.868 0.027 0.000 1.566 618 T HN 1.384 nan 8.240 nan 0.000 0.486 619 A N 0.694 123.558 122.820 0.073 0.000 2.549 619 A HA 0.606 4.927 4.320 0.000 0.000 0.297 619 A C 0.095 177.749 177.584 0.117 0.000 1.061 619 A CA -0.006 52.093 52.037 0.104 0.000 0.690 619 A CB 1.365 20.426 19.000 0.102 0.000 1.287 619 A HN 0.879 nan 8.150 nan 0.000 0.402 620 D N -0.234 120.250 120.400 0.141 0.000 2.310 620 D HA -0.120 4.520 4.640 0.000 0.000 0.212 620 D C 0.577 176.834 176.300 -0.072 0.000 0.965 620 D CA 1.591 55.636 54.000 0.074 0.000 0.879 620 D CB -0.117 40.721 40.800 0.063 0.000 0.921 620 D HN 0.589 nan 8.370 nan 0.000 0.510 621 H N -0.534 118.590 119.070 0.091 0.000 2.512 621 H HA 0.140 4.696 4.556 0.000 0.000 0.276 621 H C -0.425 174.969 175.328 0.110 0.000 1.126 621 H CA -0.450 55.657 56.048 0.097 0.000 1.060 621 H CB 0.381 30.200 29.762 0.096 0.000 1.646 621 H HN 0.097 nan 8.280 nan 0.000 0.571 622 D N 2.400 122.903 120.400 0.171 0.000 2.359 622 D HA -0.031 4.609 4.640 0.000 0.000 0.250 622 D C 0.686 177.072 176.300 0.143 0.000 1.264 622 D CA -0.061 54.048 54.000 0.181 0.000 0.911 622 D CB 0.587 41.493 40.800 0.177 0.000 1.056 622 D HN 0.385 nan 8.370 nan 0.000 0.499 623 D N 2.518 123.014 120.400 0.159 0.000 2.402 623 D HA -0.020 4.620 4.640 0.000 0.000 0.216 623 D C 1.352 177.736 176.300 0.140 0.000 1.128 623 D CA -0.280 53.803 54.000 0.137 0.000 0.833 623 D CB 0.435 41.333 40.800 0.163 0.000 0.971 623 D HN 0.179 nan 8.370 nan 0.000 0.503 624 R N 0.609 121.189 120.500 0.133 0.000 2.055 624 R HA 0.164 4.504 4.340 0.000 0.000 0.221 624 R C 0.172 176.642 176.300 0.283 0.000 1.154 624 R CA 0.951 57.127 56.100 0.127 0.000 0.975 624 R CB -0.228 29.884 30.300 -0.312 0.000 0.869 624 R HN -0.022 nan 8.270 nan 0.000 0.437 625 V N 3.554 123.593 119.914 0.208 0.000 2.266 625 V HA 0.261 4.381 4.120 0.000 0.000 0.271 625 V C -0.474 175.739 176.094 0.198 0.000 1.032 625 V CA -0.979 61.508 62.300 0.313 0.000 0.806 625 V CB 1.022 32.978 31.823 0.222 0.000 1.052 625 V HN 0.286 nan 8.190 nan 0.000 0.449 626 V N 4.175 124.155 119.914 0.111 0.000 2.790 626 V HA 0.057 4.177 4.120 0.000 0.000 0.304 626 V C -1.170 174.787 176.094 -0.229 0.000 1.142 626 V CA -0.313 61.904 62.300 -0.139 0.000 1.282 626 V CB 0.082 31.631 31.823 -0.455 0.000 0.877 626 V HN 0.588 nan 8.190 nan 0.000 0.504 627 P HA -0.145 nan 4.420 nan 0.000 0.217 627 P C 1.728 178.379 177.300 -1.082 0.000 1.148 627 P CA 2.270 64.960 63.100 -0.683 0.000 0.828 627 P CB -0.034 31.212 31.700 -0.756 0.000 0.783 628 A N -0.724 121.563 122.820 -0.888 0.000 2.042 628 A HA -0.303 4.017 4.320 0.000 0.000 0.222 628 A C 2.103 179.430 177.584 -0.429 0.000 1.167 628 A CA 1.721 53.361 52.037 -0.662 0.000 0.649 628 A CB -1.606 17.055 19.000 -0.564 0.000 0.809 628 A HN 0.261 nan 8.150 nan 0.000 0.457 629 H N -0.382 118.490 119.070 -0.330 0.000 2.293 629 H HA -0.073 4.483 4.556 0.000 0.000 0.300 629 H C 2.536 177.807 175.328 -0.095 0.000 1.082 629 H CA 1.869 57.829 56.048 -0.147 0.000 1.308 629 H CB -0.344 29.356 29.762 -0.102 0.000 1.375 629 H HN 0.516 nan 8.280 nan 0.000 0.495 630 S N 0.538 116.236 115.700 -0.004 0.000 2.406 630 S HA -0.078 4.392 4.470 0.000 0.000 0.228 630 S C 1.968 176.722 174.600 0.255 0.000 1.020 630 S CA 0.497 58.756 58.200 0.098 0.000 0.965 630 S CB -0.185 63.052 63.200 0.061 0.000 0.798 630 S HN 0.178 nan 8.310 nan 0.000 0.488 631 F N 2.066 122.032 119.950 0.027 0.000 2.075 631 F HA -0.020 4.507 4.527 0.000 0.000 0.297 631 F C 2.178 177.817 175.800 -0.270 0.000 1.113 631 F CA 0.740 58.690 58.000 -0.084 0.000 1.218 631 F CB -1.040 37.748 39.000 -0.354 0.000 0.984 631 F HN 0.161 nan 8.300 nan 0.000 0.472 632 K N -0.868 119.511 120.400 -0.034 0.000 2.057 632 K HA -0.181 4.139 4.320 0.000 0.000 0.206 632 K C 2.069 178.670 176.600 0.001 0.000 1.050 632 K CA 1.365 57.599 56.287 -0.089 0.000 0.935 632 K CB -0.583 31.910 32.500 -0.012 0.000 0.715 632 K HN 0.098 nan 8.250 nan 0.000 0.439 633 F N 1.700 121.608 119.950 -0.069 0.000 2.102 633 F HA -0.197 4.330 4.527 0.000 0.000 0.298 633 F C 2.186 177.922 175.800 -0.107 0.000 1.105 633 F CA 1.446 59.397 58.000 -0.082 0.000 1.239 633 F CB -0.490 38.475 39.000 -0.060 0.000 0.991 633 F HN -0.017 nan 8.300 nan 0.000 0.474 634 A N 0.224 123.063 122.820 0.032 0.000 1.902 634 A HA -0.058 4.262 4.320 0.000 0.000 0.217 634 A C 2.403 179.868 177.584 -0.198 0.000 1.181 634 A CA 1.828 53.815 52.037 -0.083 0.000 0.623 634 A CB -1.562 17.509 19.000 0.119 0.000 0.818 634 A HN 0.491 nan 8.150 nan 0.000 0.443 635 A N -0.950 121.732 122.820 -0.230 0.000 1.933 635 A HA -0.069 4.251 4.320 0.000 0.000 0.218 635 A C 2.292 179.585 177.584 -0.484 0.000 1.175 635 A CA 2.252 53.998 52.037 -0.485 0.000 0.628 635 A CB -1.193 17.105 19.000 -1.171 0.000 0.814 635 A HN 0.443 nan 8.150 nan 0.000 0.444 636 T N 0.511 114.859 114.554 -0.344 0.000 2.777 636 T HA -0.060 4.290 4.350 0.000 0.000 0.266 636 T C 1.819 176.388 174.700 -0.218 0.000 1.040 636 T CA 1.412 63.450 62.100 -0.103 0.000 1.141 636 T CB -0.368 68.462 68.868 -0.064 0.000 0.868 636 T HN 0.362 nan 8.240 nan 0.000 0.444 637 L N 0.673 121.650 121.223 -0.409 0.000 2.017 637 L HA -0.130 4.210 4.340 0.000 0.000 0.208 637 L C 2.911 179.617 176.870 -0.273 0.000 1.073 637 L CA 1.406 55.992 54.840 -0.424 0.000 0.745 637 L CB -0.584 41.129 42.059 -0.576 0.000 0.894 637 L HN 0.271 nan 8.230 nan 0.000 0.432 638 Q N -0.506 119.071 119.800 -0.372 0.000 2.226 638 Q HA -0.179 4.162 4.340 0.000 0.000 0.204 638 Q C 2.329 178.246 176.000 -0.139 0.000 0.975 638 Q CA 1.438 56.950 55.803 -0.486 0.000 0.866 638 Q CB -0.146 28.133 28.738 -0.765 0.000 0.915 638 Q HN 0.576 nan 8.270 nan 0.000 0.440 639 A N 0.989 123.764 122.820 -0.075 0.000 1.874 639 A HA -0.144 4.176 4.320 0.000 0.000 0.214 639 A C 1.373 178.997 177.584 0.067 0.000 1.189 639 A CA 1.516 53.584 52.037 0.052 0.000 0.615 639 A CB -0.067 19.018 19.000 0.141 0.000 0.830 639 A HN 0.197 nan 8.150 nan 0.000 0.443 640 D N -0.548 119.881 120.400 0.047 0.000 2.327 640 D HA 0.030 4.671 4.640 0.000 0.000 0.205 640 D C 0.496 176.886 176.300 0.149 0.000 0.989 640 D CA 0.061 54.118 54.000 0.095 0.000 0.873 640 D CB -0.453 40.410 40.800 0.107 0.000 0.955 640 D HN 0.370 nan 8.370 nan 0.000 0.515 641 N N 0.381 119.174 118.700 0.155 0.000 2.454 641 N HA 0.138 4.878 4.740 0.000 0.000 0.254 641 N C 0.449 176.035 175.510 0.127 0.000 1.228 641 N CA 0.282 53.463 53.050 0.220 0.000 0.900 641 N CB 1.036 39.657 38.487 0.222 0.000 1.089 641 N HN -0.038 nan 8.380 nan 0.000 0.449 642 A N 2.453 125.320 122.820 0.077 0.000 2.070 642 A HA 0.366 4.686 4.320 0.000 0.000 0.202 642 A C 1.131 178.718 177.584 0.005 0.000 1.277 642 A CA 0.536 52.592 52.037 0.033 0.000 0.872 642 A CB -0.733 18.269 19.000 0.004 0.000 0.933 642 A HN 0.686 nan 8.150 nan 0.000 0.475 643 G N 0.217 109.009 108.800 -0.014 0.000 2.583 643 G HA2 0.343 4.304 3.960 0.000 0.000 0.275 643 G HA3 0.343 4.304 3.960 0.000 0.000 0.275 643 G C -0.875 173.962 174.900 -0.105 0.000 1.342 643 G CA 0.151 45.201 45.100 -0.083 0.000 1.030 643 G HN 0.192 nan 8.290 nan 0.000 0.520 644 P HA 0.039 nan 4.420 nan 0.000 0.240 644 P C -0.095 177.135 177.300 -0.117 0.000 1.190 644 P CA 0.291 63.280 63.100 -0.186 0.000 0.781 644 P CB 0.141 31.714 31.700 -0.212 0.000 0.931 645 H N 2.945 122.073 119.070 0.096 0.000 2.803 645 H HA 0.175 4.731 4.556 0.000 0.000 0.330 645 H C -1.841 173.579 175.328 0.153 0.000 1.057 645 H CA -2.324 53.795 56.048 0.119 0.000 1.458 645 H CB -0.313 29.518 29.762 0.116 0.000 1.470 645 H HN 0.232 nan 8.280 nan 0.000 0.560 646 P HA 0.013 nan 4.420 nan 0.000 0.271 646 P C -0.426 177.013 177.300 0.230 0.000 1.216 646 P CA -0.329 62.893 63.100 0.205 0.000 0.776 646 P CB 0.989 32.619 31.700 -0.116 0.000 0.881 647 Q N 2.771 122.697 119.800 0.210 0.000 2.454 647 Q HA 0.467 4.807 4.340 0.000 0.000 0.255 647 Q C -0.257 175.676 176.000 -0.113 0.000 1.034 647 Q CA -0.332 55.459 55.803 -0.020 0.000 0.736 647 Q CB 1.270 29.894 28.738 -0.189 0.000 1.210 647 Q HN 0.500 nan 8.270 nan 0.000 0.500 648 L N 1.748 122.905 121.223 -0.109 0.000 2.303 648 L HA 0.688 5.028 4.340 0.000 0.000 0.266 648 L C -0.205 176.569 176.870 -0.159 0.000 1.011 648 L CA -1.085 53.666 54.840 -0.149 0.000 0.818 648 L CB 2.073 44.004 42.059 -0.214 0.000 1.326 648 L HN 0.437 nan 8.230 nan 0.000 0.435 649 I N 1.092 121.579 120.570 -0.138 0.000 2.569 649 I HA 0.427 4.597 4.170 0.000 0.000 0.290 649 I C -1.085 174.976 176.117 -0.093 0.000 1.088 649 I CA -0.537 60.715 61.300 -0.081 0.000 1.047 649 I CB 1.902 39.906 38.000 0.008 0.000 1.237 649 I HN 0.637 nan 8.210 nan 0.000 0.421 650 R N 7.705 128.168 120.500 -0.062 0.000 2.320 650 R HA 0.535 4.875 4.340 0.000 0.000 0.319 650 R C -1.719 174.586 176.300 0.008 0.000 0.969 650 R CA -0.635 55.435 56.100 -0.051 0.000 0.857 650 R CB 0.855 31.112 30.300 -0.073 0.000 1.160 650 R HN 0.572 nan 8.270 nan 0.000 0.491 651 I N 3.629 124.215 120.570 0.026 0.000 2.291 651 I HA 0.154 4.324 4.170 0.000 0.000 0.290 651 I C 0.238 176.393 176.117 0.063 0.000 1.050 651 I CA -0.421 60.934 61.300 0.093 0.000 1.245 651 I CB 1.269 39.354 38.000 0.142 0.000 1.405 651 I HN 0.519 nan 8.210 nan 0.000 0.478 652 E N 4.693 124.931 120.200 0.064 0.000 2.373 652 E HA 0.244 4.595 4.350 0.000 0.000 0.267 652 E C -0.133 176.517 176.600 0.084 0.000 1.032 652 E CA -0.199 56.233 56.400 0.053 0.000 0.889 652 E CB 0.662 30.387 29.700 0.041 0.000 0.984 652 E HN 0.641 nan 8.360 nan 0.000 0.425 653 T N 2.402 117.000 114.554 0.073 0.000 2.907 653 T HA 0.322 4.672 4.350 0.000 0.000 0.284 653 T C 0.029 174.797 174.700 0.113 0.000 1.004 653 T CA -0.807 61.355 62.100 0.102 0.000 1.063 653 T CB 0.645 69.556 68.868 0.072 0.000 0.992 653 T HN 0.561 nan 8.240 nan 0.000 0.483 654 N N 0.206 119.021 118.700 0.191 0.000 2.716 654 N HA -0.164 4.576 4.740 0.000 0.000 0.250 654 N C -0.304 175.232 175.510 0.043 0.000 1.033 654 N CA 1.082 54.195 53.050 0.105 0.000 0.727 654 N CB -1.437 37.064 38.487 0.024 0.000 0.950 654 N HN 1.166 nan 8.380 nan 0.000 0.541 655 A N -1.479 121.418 122.820 0.130 0.000 2.556 655 A HA 0.884 5.204 4.320 0.000 0.000 0.294 655 A C 0.528 178.207 177.584 0.158 0.000 1.091 655 A CA 0.111 52.203 52.037 0.090 0.000 0.704 655 A CB 1.711 20.750 19.000 0.065 0.000 1.300 655 A HN 0.234 nan 8.150 nan 0.000 0.406 656 G N -1.173 107.708 108.800 0.134 0.000 3.135 656 G HA2 0.405 4.365 3.960 0.000 0.000 0.159 656 G HA3 0.405 4.365 3.960 0.000 0.000 0.159 656 G C 0.614 175.614 174.900 0.167 0.000 1.244 656 G CA 0.405 45.614 45.100 0.181 0.000 0.965 656 G HN 0.935 nan 8.290 nan 0.000 0.599 657 H N -0.840 118.285 119.070 0.093 0.000 2.426 657 H HA 0.067 4.623 4.556 0.000 0.000 0.298 657 H C 1.834 177.196 175.328 0.057 0.000 1.107 657 H CA 2.945 59.038 56.048 0.075 0.000 1.298 657 H CB 0.168 29.983 29.762 0.090 0.000 1.377 657 H HN 0.730 nan 8.280 nan 0.000 0.519 658 G N -1.898 106.945 108.800 0.072 0.000 4.460 658 G HA2 0.011 3.972 3.960 0.000 0.000 0.182 658 G HA3 0.011 3.972 3.960 0.000 0.000 0.182 658 G C 0.070 174.998 174.900 0.045 0.000 1.512 658 G CA -0.146 44.956 45.100 0.003 0.000 0.856 658 G HN 0.569 nan 8.290 nan 0.000 0.289 659 A N 0.847 123.712 122.820 0.075 0.000 2.584 659 A HA 0.509 4.829 4.320 0.000 0.000 0.239 659 A C 1.844 179.463 177.584 0.057 0.000 1.043 659 A CA 2.065 54.141 52.037 0.064 0.000 0.756 659 A CB -0.608 18.439 19.000 0.078 0.000 0.963 659 A HN 2.595 nan 8.150 nan 0.000 0.511 660 G N 2.249 111.073 108.800 0.041 0.000 2.141 660 G HA2 -0.193 3.767 3.960 0.000 0.000 0.242 660 G HA3 -0.193 3.767 3.960 0.000 0.000 0.242 660 G C 0.380 175.296 174.900 0.027 0.000 0.982 660 G CA 0.399 45.519 45.100 0.033 0.000 0.662 660 G HN 1.194 nan 8.290 nan 0.000 0.527 661 T N 2.761 117.331 114.554 0.027 0.000 2.901 661 T HA 0.454 4.804 4.350 0.000 0.000 0.301 661 T C -1.820 172.879 174.700 -0.001 0.000 1.012 661 T CA -0.324 61.784 62.100 0.013 0.000 1.135 661 T CB 1.343 70.218 68.868 0.011 0.000 0.936 661 T HN 0.106 nan 8.240 nan 0.000 0.539 662 P HA 0.065 nan 4.420 nan 0.000 0.266 662 P C 0.974 178.215 177.300 -0.097 0.000 1.195 662 P CA -0.212 62.861 63.100 -0.045 0.000 0.768 662 P CB 0.455 32.127 31.700 -0.048 0.000 0.838 663 V N 2.817 122.646 119.914 -0.140 0.000 2.392 663 V HA -0.303 3.817 4.120 0.000 0.000 0.249 663 V C 2.285 178.135 176.094 -0.407 0.000 1.059 663 V CA 2.640 64.738 62.300 -0.336 0.000 1.051 663 V CB -1.510 30.077 31.823 -0.393 0.000 0.658 663 V HN 0.692 nan 8.190 nan 0.000 0.455 664 A N -0.445 122.225 122.820 -0.250 0.000 1.933 664 A HA -0.241 4.079 4.320 0.000 0.000 0.218 664 A C 2.312 179.798 177.584 -0.164 0.000 1.175 664 A CA 1.959 53.876 52.037 -0.200 0.000 0.628 664 A CB -0.366 18.562 19.000 -0.120 0.000 0.814 664 A HN 0.565 nan 8.150 nan 0.000 0.444 665 K N -0.542 119.780 120.400 -0.131 0.000 2.116 665 K HA 0.102 4.423 4.320 0.000 0.000 0.203 665 K C 1.831 178.370 176.600 -0.102 0.000 1.052 665 K CA 0.970 57.204 56.287 -0.089 0.000 0.952 665 K CB -0.292 32.176 32.500 -0.053 0.000 0.729 665 K HN 0.455 nan 8.250 nan 0.000 0.446 666 L N 0.951 122.089 121.223 -0.141 0.000 2.046 666 L HA -0.189 4.151 4.340 0.000 0.000 0.208 666 L C 2.361 179.149 176.870 -0.137 0.000 1.077 666 L CA 1.203 55.978 54.840 -0.109 0.000 0.747 666 L CB -0.486 41.525 42.059 -0.080 0.000 0.896 666 L HN 0.155 nan 8.230 nan 0.000 0.432 667 I N -0.469 119.926 120.570 -0.291 0.000 2.163 667 I HA -0.259 3.911 4.170 0.000 0.000 0.243 667 I C 2.668 178.752 176.117 -0.055 0.000 1.085 667 I CA 1.158 62.344 61.300 -0.188 0.000 1.347 667 I CB -0.332 37.500 38.000 -0.281 0.000 1.044 667 I HN 0.288 nan 8.210 nan 0.000 0.408 668 E N 0.574 120.734 120.200 -0.067 0.000 2.110 668 E HA -0.241 4.109 4.350 0.000 0.000 0.193 668 E C 2.137 178.725 176.600 -0.019 0.000 0.988 668 E CA 1.217 57.602 56.400 -0.026 0.000 0.804 668 E CB -0.266 29.415 29.700 -0.032 0.000 0.745 668 E HN 0.589 nan 8.360 nan 0.000 0.458 669 Q N 0.275 120.051 119.800 -0.041 0.000 2.002 669 Q HA -0.106 4.234 4.340 0.000 0.000 0.204 669 Q C 2.408 178.356 176.000 -0.087 0.000 0.988 669 Q CA 1.791 57.562 55.803 -0.054 0.000 0.843 669 Q CB -0.128 28.575 28.738 -0.058 0.000 0.908 669 Q HN 0.087 nan 8.270 nan 0.000 0.420 670 S N 0.548 116.188 115.700 -0.099 0.000 2.370 670 S HA -0.202 4.268 4.470 0.000 0.000 0.226 670 S C 2.009 176.535 174.600 -0.124 0.000 1.033 670 S CA 1.010 59.067 58.200 -0.239 0.000 1.011 670 S CB -0.370 62.774 63.200 -0.094 0.000 0.852 670 S HN 0.505 nan 8.310 nan 0.000 0.457 671 A N 1.931 124.786 122.820 0.059 0.000 1.908 671 A HA -0.186 4.135 4.320 0.000 0.000 0.218 671 A C 1.863 179.537 177.584 0.150 0.000 1.181 671 A CA 1.857 53.990 52.037 0.160 0.000 0.627 671 A CB -0.725 18.353 19.000 0.130 0.000 0.818 671 A HN 0.357 nan 8.150 nan 0.000 0.445 672 D N -0.112 120.334 120.400 0.077 0.000 2.097 672 D HA -0.094 4.546 4.640 0.000 0.000 0.195 672 D C 1.884 178.263 176.300 0.132 0.000 0.989 672 D CA 1.121 55.178 54.000 0.095 0.000 0.827 672 D CB -0.321 40.499 40.800 0.034 0.000 0.966 672 D HN 0.509 nan 8.370 nan 0.000 0.456 673 I N 0.070 120.649 120.570 0.015 0.000 2.179 673 I HA -0.294 3.876 4.170 0.000 0.000 0.242 673 I C 2.099 178.298 176.117 0.137 0.000 1.088 673 I CA 0.932 62.236 61.300 0.007 0.000 1.357 673 I CB -0.199 37.675 38.000 -0.210 0.000 1.051 673 I HN 0.014 nan 8.210 nan 0.000 0.409 674 Y N 0.797 121.187 120.300 0.150 0.000 2.242 674 Y HA -0.156 4.394 4.550 0.000 0.000 0.291 674 Y C 2.594 178.683 175.900 0.314 0.000 1.137 674 Y CA 0.709 58.928 58.100 0.197 0.000 1.181 674 Y CB -1.175 37.423 38.460 0.230 0.000 0.989 674 Y HN 0.121 nan 8.280 nan 0.000 0.527 675 A N -0.127 122.979 122.820 0.476 0.000 1.841 675 A HA -0.207 4.113 4.320 0.000 0.000 0.214 675 A C 2.164 180.054 177.584 0.511 0.000 1.195 675 A CA 1.449 53.786 52.037 0.500 0.000 0.611 675 A CB -1.428 17.794 19.000 0.370 0.000 0.835 675 A HN 0.393 nan 8.150 nan 0.000 0.443 676 F N 1.572 121.709 119.950 0.311 0.000 2.063 676 F HA -0.235 4.292 4.527 0.000 0.000 0.298 676 F C 2.499 178.523 175.800 0.373 0.000 1.109 676 F CA 2.520 60.717 58.000 0.329 0.000 1.212 676 F CB -0.851 38.279 39.000 0.218 0.000 0.973 676 F HN 0.232 nan 8.300 nan 0.000 0.480 677 T N 1.609 116.368 114.554 0.341 0.000 2.652 677 T HA -0.212 4.138 4.350 0.000 0.000 0.267 677 T C 2.158 177.040 174.700 0.303 0.000 1.039 677 T CA 1.976 64.224 62.100 0.245 0.000 1.153 677 T CB -0.643 68.390 68.868 0.275 0.000 0.863 677 T HN 0.260 nan 8.240 nan 0.000 0.428 678 L N -0.627 120.858 121.223 0.436 0.000 2.083 678 L HA -0.079 4.261 4.340 0.000 0.000 0.209 678 L C 2.409 179.608 176.870 0.549 0.000 1.083 678 L CA 1.407 56.535 54.840 0.480 0.000 0.752 678 L CB -0.550 41.659 42.059 0.250 0.000 0.899 678 L HN 0.260 nan 8.230 nan 0.000 0.433 679 Y N 0.844 121.367 120.300 0.372 0.000 2.242 679 Y HA -0.115 4.435 4.550 0.000 0.000 0.291 679 Y C 1.804 177.776 175.900 0.120 0.000 1.137 679 Y CA 0.853 59.117 58.100 0.273 0.000 1.181 679 Y CB 0.146 38.717 38.460 0.185 0.000 0.989 679 Y HN 0.123 nan 8.280 nan 0.000 0.527 683 Y N 1.457 121.776 120.300 0.032 0.000 2.526 683 Y HA 0.425 4.975 4.550 0.000 0.000 0.330 683 Y C 1.643 177.693 175.900 0.249 0.000 1.156 683 Y CA -0.000 58.170 58.100 0.118 0.000 1.419 683 Y CB 0.942 39.470 38.460 0.113 0.000 1.250 683 Y HN -0.108 nan 8.280 nan 0.000 0.540 684 R N 1.081 121.799 120.500 0.363 0.000 2.335 684 R HA 0.212 4.552 4.340 0.000 0.000 0.210 684 R C -0.406 176.180 176.300 0.477 0.000 0.892 684 R CA 0.245 56.553 56.100 0.347 0.000 1.048 684 R CB 0.366 30.764 30.300 0.162 0.000 1.067 684 R HN 0.662 nan 8.270 nan 0.000 0.524 685 E N 0.193 120.677 120.200 0.474 0.000 2.383 685 E HA 0.288 4.638 4.350 0.000 0.000 0.275 685 E C -0.459 176.189 176.600 0.079 0.000 0.918 685 E CA -0.840 55.774 56.400 0.356 0.000 0.764 685 E CB 2.178 31.997 29.700 0.199 0.000 1.252 685 E HN -0.091 nan 8.360 nan 0.000 0.449 686 L N 2.404 123.538 121.223 -0.149 0.000 2.514 686 L HA 0.078 4.419 4.340 0.000 0.000 0.280 686 L C -1.873 174.854 176.870 -0.239 0.000 1.223 686 L CA -1.190 53.418 54.840 -0.387 0.000 0.864 686 L CB -0.421 41.469 42.059 -0.282 0.000 1.118 686 L HN 0.152 nan 8.230 nan 0.000 0.494 687 P HA 0.235 nan 4.420 nan 0.000 0.266 687 P C -0.260 176.951 177.300 -0.147 0.000 1.186 687 P CA 0.446 63.365 63.100 -0.303 0.000 0.767 687 P CB 0.535 31.901 31.700 -0.556 0.000 0.820 688 R N 0.000 120.468 120.500 -0.054 0.000 2.786 688 R HA 0.000 4.340 4.340 0.000 0.000 0.208 688 R CA 0.000 56.078 56.100 -0.036 0.000 0.921 688 R CB 0.000 nan 30.300 nan 0.000 0.687 688 R HN 0.000 nan 8.270 nan 0.000 0.535