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 1upp_1_G DATA FIRST_RESID 9 DATA SEQUENCE ASVEFKAGVK DYKLTYYTPE YETLDTDILA AFRVSPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTNLD RYKGRCYHIE PVAGEENQYI CYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPVAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTXDDENVNS DATA SEQUENCE QPFMRWRDRF LFCAEALYKA QAETGEIKGH YLNATAGTCE DMMKRAVFAR DATA SEQUENCE ELGVPIVMHD YLTGGFTANT TLSHYCRDNG LLLHIHRAMH AVIDRQKNHG DATA SEQUENCE MHFRVLAKAL RLSGGDHIHS GTVVGKLEGE RDITLGFVDL LRDDYTEKDR DATA SEQUENCE SRGIYFTQSW VSTPGVLPVA SGGIHVWHMP ALTEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAV ANRVALEACV QARNEGRDLA REGNTIIREA TKWSPELAAA DATA SEQUENCE CEVWKEIKFE FPAMDTV 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.591 177.584 0.012 0.000 1.274 9 A CA 0.000 52.041 52.037 0.006 0.000 0.836 9 A CB 0.000 19.000 19.000 0.000 0.000 0.831 10 S N 0.110 115.821 115.700 0.017 0.000 2.542 10 S HA 0.910 5.552 4.470 0.287 0.000 0.293 10 S C -0.351 174.266 174.600 0.029 0.000 1.089 10 S CA -0.764 57.452 58.200 0.027 0.000 0.961 10 S CB 2.179 65.399 63.200 0.032 0.000 1.062 10 S HN 1.460 nan 8.310 nan 0.000 0.483 11 V N 0.030 119.969 119.914 0.042 0.000 2.876 11 V HA 0.516 4.808 4.120 0.287 0.000 0.312 11 V C -0.175 175.962 176.094 0.071 0.000 1.085 11 V CA -1.270 61.056 62.300 0.044 0.000 0.945 11 V CB 1.337 33.180 31.823 0.034 0.000 1.017 11 V HN 0.980 nan 8.190 nan 0.000 0.428 12 E N 1.754 121.991 120.200 0.062 0.000 2.438 12 E HA 0.141 4.662 4.350 0.287 0.000 0.261 12 E C -0.994 175.692 176.600 0.143 0.000 1.103 12 E CA -0.087 56.364 56.400 0.084 0.000 0.959 12 E CB 0.613 30.337 29.700 0.039 0.000 0.958 12 E HN 0.593 nan 8.360 nan 0.000 0.447 13 F N 1.895 121.858 119.950 0.023 0.000 2.411 13 F HA 0.252 4.951 4.527 0.287 0.000 0.355 13 F C -0.221 175.592 175.800 0.022 0.000 1.117 13 F CA -0.797 57.228 58.000 0.042 0.000 1.139 13 F CB 0.661 39.710 39.000 0.083 0.000 1.120 13 F HN 0.151 nan 8.300 nan 0.000 0.493 14 K N 6.271 126.392 120.400 -0.465 0.000 2.473 14 K HA 0.691 5.183 4.320 0.287 0.000 0.246 14 K C -0.518 175.692 176.600 -0.649 0.000 1.011 14 K CA -0.596 55.383 56.287 -0.513 0.000 0.984 14 K CB 0.624 33.000 32.500 -0.207 0.000 1.250 14 K HN 0.806 nan 8.250 nan 0.000 0.454 15 A N 2.721 124.970 122.820 -0.952 0.000 2.448 15 A HA 0.600 5.092 4.320 0.287 0.000 0.239 15 A C 0.634 178.083 177.584 -0.225 0.000 1.080 15 A CA 0.794 52.520 52.037 -0.518 0.000 0.779 15 A CB -0.180 18.604 19.000 -0.361 0.000 1.026 15 A HN 1.088 nan 8.150 nan 0.000 0.499 16 G N -1.963 106.757 108.800 -0.134 0.000 2.479 16 G HA2 0.355 4.487 3.960 0.287 0.000 0.686 16 G HA3 0.355 4.487 3.960 0.287 0.000 0.686 16 G C -0.427 174.412 174.900 -0.101 0.000 1.295 16 G CA -0.150 44.891 45.100 -0.099 0.000 0.922 16 G HN 2.235 nan 8.290 nan 0.000 0.582 17 V N -0.007 119.876 119.914 -0.051 0.000 2.617 17 V HA 0.907 5.199 4.120 0.287 0.000 0.298 17 V C 0.317 176.383 176.094 -0.047 0.000 1.048 17 V CA 0.016 62.288 62.300 -0.047 0.000 0.964 17 V CB 1.347 33.206 31.823 0.060 0.000 1.004 17 V HN 1.019 nan 8.190 nan 0.000 0.466 18 K N 2.923 123.277 120.400 -0.078 0.000 2.331 18 K HA 0.529 5.021 4.320 0.287 0.000 0.238 18 K C -1.161 175.384 176.600 -0.093 0.000 1.058 18 K CA -0.925 55.325 56.287 -0.063 0.000 0.871 18 K CB 0.944 33.415 32.500 -0.049 0.000 1.292 18 K HN 0.721 nan 8.250 nan 0.000 0.470 19 D N 0.783 121.156 120.400 -0.046 0.000 2.382 19 D HA 0.021 4.832 4.640 0.287 0.000 0.245 19 D C 0.688 176.994 176.300 0.012 0.000 1.120 19 D CA 0.362 54.349 54.000 -0.022 0.000 0.890 19 D CB 0.366 41.188 40.800 0.035 0.000 1.201 19 D HN 0.411 nan 8.370 nan 0.000 0.433 20 Y N 1.353 121.720 120.300 0.111 0.000 2.224 20 Y HA -0.229 4.493 4.550 0.287 0.000 0.289 20 Y C 2.358 178.368 175.900 0.183 0.000 1.146 20 Y CA 1.277 59.484 58.100 0.179 0.000 1.182 20 Y CB -0.357 38.162 38.460 0.099 0.000 0.983 20 Y HN 0.464 nan 8.280 nan 0.000 0.524 21 K N 0.693 121.251 120.400 0.264 0.000 2.211 21 K HA -0.163 4.329 4.320 0.287 0.000 0.204 21 K C 1.692 178.404 176.600 0.187 0.000 1.047 21 K CA 1.797 58.219 56.287 0.226 0.000 0.935 21 K CB -0.905 31.673 32.500 0.131 0.000 0.728 21 K HN 0.333 nan 8.250 nan 0.000 0.452 22 L N 1.191 122.485 121.223 0.119 0.000 2.197 22 L HA -0.186 4.326 4.340 0.287 0.000 0.215 22 L C 1.744 178.615 176.870 0.002 0.000 1.095 22 L CA 1.693 56.567 54.840 0.057 0.000 0.764 22 L CB -0.682 41.394 42.059 0.029 0.000 0.897 22 L HN 0.383 nan 8.230 nan 0.000 0.436 23 T N -3.592 110.946 114.554 -0.027 0.000 3.028 23 T HA 0.074 4.596 4.350 0.287 0.000 0.250 23 T C 0.968 175.455 174.700 -0.354 0.000 0.979 23 T CA 0.162 62.090 62.100 -0.286 0.000 1.004 23 T CB 0.172 68.717 68.868 -0.539 0.000 1.120 23 T HN 0.110 nan 8.240 nan 0.000 0.482 24 Y N -0.371 119.977 120.300 0.080 0.000 2.445 24 Y HA 0.432 5.154 4.550 0.287 0.000 0.247 24 Y C 0.003 175.959 175.900 0.093 0.000 1.129 24 Y CA -1.343 56.786 58.100 0.049 0.000 1.251 24 Y CB 0.451 38.936 38.460 0.041 0.000 1.176 24 Y HN 0.170 nan 8.280 nan 0.000 0.522 25 Y N 1.292 121.649 120.300 0.095 0.000 2.425 25 Y HA 0.446 5.168 4.550 0.286 0.000 0.347 25 Y C -0.252 175.672 175.900 0.041 0.000 0.976 25 Y CA -0.675 57.458 58.100 0.055 0.000 1.190 25 Y CB 0.795 39.276 38.460 0.036 0.000 1.136 25 Y HN -0.158 nan 8.280 nan 0.000 0.517 26 T N 9.570 123.893 114.554 -0.384 0.000 3.418 26 T HA 0.171 4.693 4.350 0.287 0.000 0.315 26 T C -1.968 172.569 174.700 -0.272 0.000 1.447 26 T CA -0.869 61.051 62.100 -0.299 0.000 1.641 26 T CB 0.810 69.600 68.868 -0.130 0.000 0.904 26 T HN 0.489 nan 8.240 nan 0.000 0.640 27 P HA -0.079 nan 4.420 nan 0.000 0.221 27 P C 0.881 178.191 177.300 0.018 0.000 1.145 27 P CA 1.078 64.035 63.100 -0.238 0.000 0.795 27 P CB 0.489 32.013 31.700 -0.294 0.000 0.775 28 E N -1.557 118.648 120.200 0.008 0.000 2.472 28 E HA -0.023 4.498 4.350 0.287 0.000 0.196 28 E C 0.497 177.140 176.600 0.070 0.000 1.033 28 E CA -0.510 55.912 56.400 0.038 0.000 0.886 28 E CB -0.640 29.066 29.700 0.009 0.000 0.944 28 E HN 0.341 nan 8.360 nan 0.000 0.492 29 Y N 3.107 123.395 120.300 -0.020 0.000 2.717 29 Y HA -0.071 4.650 4.550 0.286 0.000 0.330 29 Y C 0.066 175.910 175.900 -0.094 0.000 1.217 29 Y CA 0.024 58.094 58.100 -0.050 0.000 1.506 29 Y CB 0.360 38.794 38.460 -0.042 0.000 1.268 29 Y HN -0.155 nan 8.280 nan 0.000 0.561 30 E N 4.258 124.038 120.200 -0.699 0.000 2.146 30 E HA 0.183 4.705 4.350 0.287 0.000 0.282 30 E C -0.108 175.785 176.600 -1.179 0.000 0.989 30 E CA -0.608 55.383 56.400 -0.682 0.000 0.799 30 E CB 0.582 30.051 29.700 -0.385 0.000 1.088 30 E HN 0.701 nan 8.360 nan 0.000 0.397 31 T N 0.998 115.036 114.554 -0.860 0.000 2.932 31 T HA 0.143 4.665 4.350 0.287 0.000 0.312 31 T C 0.308 174.774 174.700 -0.391 0.000 1.071 31 T CA -0.434 61.288 62.100 -0.630 0.000 1.128 31 T CB 0.367 68.995 68.868 -0.400 0.000 0.984 31 T HN 0.242 nan 8.240 nan 0.000 0.549 32 L N 2.295 123.389 121.223 -0.214 0.000 2.399 32 L HA 0.315 4.827 4.340 0.287 0.000 0.266 32 L C 1.406 178.231 176.870 -0.075 0.000 1.114 32 L CA -0.760 54.012 54.840 -0.113 0.000 0.804 32 L CB 0.575 42.617 42.059 -0.028 0.000 1.146 32 L HN 0.673 nan 8.230 nan 0.000 0.451 33 D N -0.196 120.169 120.400 -0.059 0.000 2.310 33 D HA -0.113 4.699 4.640 0.287 0.000 0.212 33 D C 1.829 178.114 176.300 -0.024 0.000 0.965 33 D CA 1.439 55.414 54.000 -0.042 0.000 0.879 33 D CB 0.151 40.931 40.800 -0.032 0.000 0.921 33 D HN 0.756 nan 8.370 nan 0.000 0.510 34 T N -1.990 112.560 114.554 -0.007 0.000 3.088 34 T HA -0.019 4.503 4.350 0.287 0.000 0.259 34 T C 0.685 175.398 174.700 0.023 0.000 1.122 34 T CA -0.241 61.868 62.100 0.015 0.000 1.095 34 T CB 0.218 69.105 68.868 0.032 0.000 0.930 34 T HN -0.171 nan 8.240 nan 0.000 0.508 35 D N 1.631 122.046 120.400 0.025 0.000 2.399 35 D HA 0.286 5.098 4.640 0.287 0.000 0.241 35 D C -0.127 176.187 176.300 0.023 0.000 1.133 35 D CA -0.358 53.683 54.000 0.068 0.000 0.890 35 D CB 0.606 41.456 40.800 0.083 0.000 1.201 35 D HN 0.150 nan 8.370 nan 0.000 0.432 36 I N 1.969 122.593 120.570 0.090 0.000 2.395 36 I HA 0.159 4.501 4.170 0.287 0.000 0.289 36 I C 0.137 176.338 176.117 0.141 0.000 1.023 36 I CA -0.169 61.129 61.300 -0.004 0.000 1.350 36 I CB 0.538 38.423 38.000 -0.192 0.000 1.409 36 I HN 0.059 nan 8.210 nan 0.000 0.507 37 L N 6.056 127.232 121.223 -0.079 0.000 2.333 37 L HA 0.801 5.312 4.340 0.287 0.000 0.280 37 L C -0.042 176.756 176.870 -0.119 0.000 1.004 37 L CA -0.735 54.042 54.840 -0.104 0.000 0.820 37 L CB 1.495 43.212 42.059 -0.570 0.000 1.247 37 L HN 0.690 nan 8.230 nan 0.000 0.416 38 A N 2.708 125.657 122.820 0.214 0.000 2.324 38 A HA 0.869 5.360 4.320 0.287 0.000 0.330 38 A C -0.305 177.342 177.584 0.105 0.000 1.165 38 A CA -0.503 51.593 52.037 0.098 0.000 0.813 38 A CB 1.512 20.546 19.000 0.057 0.000 1.197 38 A HN 0.755 nan 8.150 nan 0.000 0.484 39 A N 1.956 124.700 122.820 -0.126 0.000 2.277 39 A HA 0.687 5.179 4.320 0.287 0.000 0.318 39 A C -1.043 176.157 177.584 -0.641 0.000 1.339 39 A CA -0.326 51.416 52.037 -0.491 0.000 0.875 39 A CB -0.243 18.261 19.000 -0.827 0.000 1.158 39 A HN 0.597 nan 8.150 nan 0.000 0.514 40 F N 1.373 121.159 119.950 -0.273 0.000 2.408 40 F HA 0.448 5.147 4.527 0.287 0.000 0.344 40 F C 1.032 176.697 175.800 -0.225 0.000 1.112 40 F CA -0.355 57.511 58.000 -0.223 0.000 1.096 40 F CB 1.438 40.322 39.000 -0.194 0.000 1.129 40 F HN 0.590 nan 8.300 nan 0.000 0.486 41 R N 3.398 123.892 120.500 -0.011 0.000 2.248 41 R HA 0.481 4.993 4.340 0.287 0.000 0.337 41 R C -1.531 174.772 176.300 0.006 0.000 1.085 41 R CA -0.176 55.921 56.100 -0.004 0.000 0.934 41 R CB 0.241 30.539 30.300 -0.003 0.000 1.034 41 R HN 0.543 nan 8.270 nan 0.000 0.465 42 V N 3.390 123.314 119.914 0.017 0.000 2.459 42 V HA 0.284 4.576 4.120 0.287 0.000 0.295 42 V C -0.274 175.843 176.094 0.039 0.000 1.029 42 V CA -0.651 61.644 62.300 -0.009 0.000 0.874 42 V CB 1.950 33.759 31.823 -0.023 0.000 0.985 42 V HN 0.721 nan 8.190 nan 0.000 0.438 43 S N 6.538 122.248 115.700 0.017 0.000 2.516 43 S HA 0.416 5.058 4.470 0.287 0.000 0.268 43 S C -2.528 172.096 174.600 0.041 0.000 1.251 43 S CA -1.038 57.183 58.200 0.036 0.000 1.153 43 S CB 1.080 64.296 63.200 0.026 0.000 1.009 43 S HN 0.635 nan 8.310 nan 0.000 0.479 44 P HA 0.072 nan 4.420 nan 0.000 0.269 44 P C -0.203 177.124 177.300 0.046 0.000 1.215 44 P CA -0.401 62.727 63.100 0.048 0.000 0.780 44 P CB 0.512 32.246 31.700 0.056 0.000 0.898 45 Q N 1.439 121.261 119.800 0.037 0.000 2.524 45 Q HA 0.146 4.658 4.340 0.287 0.000 0.246 45 Q C -1.927 174.094 176.000 0.033 0.000 1.063 45 Q CA -1.296 54.527 55.803 0.033 0.000 0.945 45 Q CB -1.154 27.603 28.738 0.031 0.000 1.292 45 Q HN 0.352 nan 8.270 nan 0.000 0.518 46 P HA -0.040 nan 4.420 nan 0.000 0.260 46 P C 0.419 177.732 177.300 0.023 0.000 1.172 46 P CA 1.459 64.574 63.100 0.025 0.000 0.760 46 P CB 0.140 31.852 31.700 0.019 0.000 0.773 47 G N 1.542 110.355 108.800 0.021 0.000 2.201 47 G HA2 -0.172 3.960 3.960 0.287 0.000 0.212 47 G HA3 -0.172 3.960 3.960 0.287 0.000 0.212 47 G C -0.151 174.755 174.900 0.011 0.000 0.994 47 G CA -0.306 44.803 45.100 0.015 0.000 0.644 47 G HN 0.497 nan 8.290 nan 0.000 0.508 48 V N 2.990 122.911 119.914 0.011 0.000 2.328 48 V HA 0.475 4.767 4.120 0.287 0.000 0.278 48 V C -1.742 174.331 176.094 -0.036 0.000 1.021 48 V CA -1.685 60.614 62.300 -0.001 0.000 0.838 48 V CB 1.318 33.148 31.823 0.011 0.000 0.999 48 V HN 0.176 nan 8.190 nan 0.000 0.447 49 P HA 0.131 nan 4.420 nan 0.000 0.265 49 P C -2.038 175.130 177.300 -0.220 0.000 1.193 49 P CA -1.190 61.829 63.100 -0.134 0.000 0.765 49 P CB 0.172 31.795 31.700 -0.128 0.000 0.823 50 P HA -0.213 nan 4.420 nan 0.000 0.216 50 P C 1.161 178.178 177.300 -0.472 0.000 1.153 50 P CA 1.551 64.303 63.100 -0.580 0.000 0.858 50 P CB 0.018 30.931 31.700 -1.311 0.000 0.789 51 E N -0.217 119.677 120.200 -0.510 0.000 2.086 51 E HA -0.236 4.286 4.350 0.287 0.000 0.200 51 E C 2.077 178.442 176.600 -0.391 0.000 1.012 51 E CA 1.670 57.677 56.400 -0.655 0.000 0.812 51 E CB -0.747 28.520 29.700 -0.721 0.000 0.743 51 E HN 0.338 nan 8.360 nan 0.000 0.453 52 E N 0.045 120.109 120.200 -0.225 0.000 2.122 52 E HA 0.042 4.564 4.350 0.287 0.000 0.190 52 E C 1.839 178.382 176.600 -0.094 0.000 0.977 52 E CA 1.077 57.430 56.400 -0.079 0.000 0.820 52 E CB -0.289 29.399 29.700 -0.020 0.000 0.770 52 E HN 0.198 nan 8.360 nan 0.000 0.462 53 A N 0.500 123.233 122.820 -0.145 0.000 1.877 53 A HA -0.048 4.444 4.320 0.287 0.000 0.216 53 A C 2.439 179.877 177.584 -0.243 0.000 1.186 53 A CA 1.850 53.782 52.037 -0.175 0.000 0.620 53 A CB -1.456 17.463 19.000 -0.136 0.000 0.822 53 A HN 0.411 nan 8.150 nan 0.000 0.443 54 G N -0.393 108.275 108.800 -0.221 0.000 2.480 54 G HA2 -0.056 4.076 3.960 0.287 0.000 0.216 54 G HA3 -0.056 4.076 3.960 0.287 0.000 0.216 54 G C 1.832 176.632 174.900 -0.167 0.000 1.200 54 G CA 1.851 46.841 45.100 -0.183 0.000 0.782 54 G HN 0.893 nan 8.290 nan 0.000 0.554 55 A N 1.327 124.089 122.820 -0.096 0.000 1.915 55 A HA 0.002 4.494 4.320 0.287 0.000 0.220 55 A C 2.862 180.270 177.584 -0.294 0.000 1.198 55 A CA 3.072 55.092 52.037 -0.028 0.000 0.647 55 A CB -1.116 17.949 19.000 0.109 0.000 0.825 55 A HN 1.059 nan 8.150 nan 0.000 0.456 56 A N -0.874 121.648 122.820 -0.496 0.000 1.859 56 A HA -0.083 4.409 4.320 0.287 0.000 0.217 56 A C 2.275 179.261 177.584 -0.997 0.000 1.198 56 A CA 2.136 53.504 52.037 -1.114 0.000 0.629 56 A CB -1.277 17.226 19.000 -0.829 0.000 0.830 56 A HN 0.546 nan 8.150 nan 0.000 0.446 57 V N -0.166 119.301 119.914 -0.745 0.000 2.252 57 V HA -0.322 3.970 4.120 0.287 0.000 0.249 57 V C 3.086 178.866 176.094 -0.523 0.000 1.056 57 V CA 2.341 64.214 62.300 -0.711 0.000 1.022 57 V CB -1.318 30.032 31.823 -0.788 0.000 0.641 57 V HN 0.682 nan 8.190 nan 0.000 0.445 58 A N -0.204 122.383 122.820 -0.388 0.000 1.865 58 A HA -0.197 4.295 4.320 0.287 0.000 0.217 58 A C 2.455 179.782 177.584 -0.428 0.000 1.191 58 A CA 2.509 54.376 52.037 -0.283 0.000 0.623 58 A CB -1.073 17.841 19.000 -0.143 0.000 0.826 58 A HN 0.641 nan 8.150 nan 0.000 0.444 59 A N -0.765 121.600 122.820 -0.759 0.000 1.917 59 A HA -0.188 4.304 4.320 0.287 0.000 0.219 59 A C 1.851 179.075 177.584 -0.600 0.000 1.182 59 A CA 1.769 53.077 52.037 -1.215 0.000 0.633 59 A CB -0.390 17.872 19.000 -1.230 0.000 0.819 59 A HN 0.568 nan 8.150 nan 0.000 0.448 60 E N -0.294 119.614 120.200 -0.486 0.000 2.474 60 E HA 0.028 4.550 4.350 0.287 0.000 0.195 60 E C 1.193 177.731 176.600 -0.104 0.000 1.039 60 E CA 0.674 56.934 56.400 -0.233 0.000 0.881 60 E CB 0.159 29.723 29.700 -0.228 0.000 0.970 60 E HN 0.736 nan 8.360 nan 0.000 0.486 61 S N -0.873 114.770 115.700 -0.096 0.000 2.539 61 S HA 0.106 4.748 4.470 0.287 0.000 0.221 61 S C 1.492 176.200 174.600 0.181 0.000 0.987 61 S CA 0.230 58.483 58.200 0.088 0.000 0.929 61 S CB 0.356 63.708 63.200 0.254 0.000 0.832 61 S HN 0.137 nan 8.310 nan 0.000 0.492 62 S N 1.632 117.365 115.700 0.055 0.000 4.238 62 S HA 0.137 4.779 4.470 0.287 0.000 0.167 62 S C 1.422 176.030 174.600 0.014 0.000 0.921 62 S CA 0.552 58.799 58.200 0.079 0.000 1.128 62 S CB -0.383 62.881 63.200 0.106 0.000 1.636 62 S HN 0.460 nan 8.310 nan 0.000 0.753 63 T N -0.608 113.957 114.554 0.018 0.000 2.975 63 T HA 0.515 5.037 4.350 0.287 0.000 0.257 63 T C 0.780 175.513 174.700 0.055 0.000 1.003 63 T CA 0.358 62.494 62.100 0.060 0.000 0.932 63 T CB 0.249 69.227 68.868 0.184 0.000 1.087 63 T HN 0.720 nan 8.240 nan 0.000 0.512 64 G N 0.012 108.791 108.800 -0.035 0.000 2.489 64 G HA2 0.586 4.718 3.960 0.287 0.000 0.327 64 G HA3 0.586 4.718 3.960 0.287 0.000 0.327 64 G C -0.891 174.071 174.900 0.104 0.000 1.189 64 G CA -0.351 44.785 45.100 0.060 0.000 0.962 64 G HN 0.221 nan 8.290 nan 0.000 0.486 65 T N -1.239 113.418 114.554 0.172 0.000 2.573 65 T HA 0.436 4.958 4.350 0.287 0.000 0.259 65 T C 0.187 175.071 174.700 0.307 0.000 0.886 65 T CA -0.415 61.839 62.100 0.258 0.000 1.110 65 T CB 0.701 69.655 68.868 0.144 0.000 1.421 65 T HN 0.691 nan 8.240 nan 0.000 0.523 66 W N 1.077 122.481 121.300 0.174 0.000 3.290 66 W HA 0.428 5.260 4.660 0.286 0.000 0.287 66 W C 0.075 176.579 176.519 -0.024 0.000 1.288 66 W CA -0.000 57.398 57.345 0.088 0.000 1.725 66 W CB -0.910 28.618 29.460 0.113 0.000 1.103 66 W HN 0.532 nan 8.180 nan 0.000 0.670 67 T N 0.721 114.947 114.554 -0.547 0.000 2.821 67 T HA 0.286 4.808 4.350 0.287 0.000 0.306 67 T C -0.650 173.856 174.700 -0.325 0.000 1.313 67 T CA -0.249 61.494 62.100 -0.594 0.000 1.012 67 T CB 1.643 69.801 68.868 -1.184 0.000 1.298 67 T HN -0.211 nan 8.240 nan 0.000 0.502 68 T N 2.712 117.171 114.554 -0.159 0.000 2.799 68 T HA 0.463 4.984 4.350 0.287 0.000 0.296 68 T C 0.333 175.104 174.700 0.119 0.000 0.947 68 T CA -0.368 61.741 62.100 0.016 0.000 1.141 68 T CB 0.014 68.932 68.868 0.083 0.000 0.891 68 T HN 0.681 nan 8.240 nan 0.000 0.533 69 V N 3.461 123.392 119.914 0.028 0.000 2.532 69 V HA 0.444 4.736 4.120 0.287 0.000 0.295 69 V C 1.361 177.317 176.094 -0.231 0.000 1.041 69 V CA -1.160 61.090 62.300 -0.083 0.000 0.926 69 V CB 1.101 32.779 31.823 -0.242 0.000 0.992 69 V HN 1.030 nan 8.190 nan 0.000 0.457 70 W N 2.876 123.751 121.300 -0.709 0.000 2.363 70 W HA -0.159 4.673 4.660 0.287 0.000 0.296 70 W C 1.616 177.881 176.519 -0.423 0.000 1.212 70 W CA 1.914 58.636 57.345 -1.038 0.000 1.260 70 W CB -1.807 26.646 29.460 -1.680 0.000 1.131 70 W HN 0.768 nan 8.180 nan 0.000 0.530 71 T N -0.459 113.341 114.554 -1.256 0.000 2.869 71 T HA -0.280 4.241 4.350 0.287 0.000 0.270 71 T C 1.154 175.609 174.700 -0.409 0.000 1.082 71 T CA 1.817 63.293 62.100 -1.040 0.000 1.123 71 T CB -0.774 67.428 68.868 -1.109 0.000 0.856 71 T HN 0.032 nan 8.240 nan 0.000 0.499 72 D N 2.022 122.264 120.400 -0.264 0.000 2.203 72 D HA -0.088 4.724 4.640 0.287 0.000 0.199 72 D C 2.328 178.605 176.300 -0.038 0.000 0.997 72 D CA 1.461 55.399 54.000 -0.103 0.000 0.863 72 D CB -0.983 39.794 40.800 -0.038 0.000 0.928 72 D HN 0.630 nan 8.370 nan 0.000 0.458 73 G N 0.528 109.323 108.800 -0.008 0.000 2.470 73 G HA2 -0.164 3.968 3.960 0.287 0.000 0.220 73 G HA3 -0.164 3.968 3.960 0.287 0.000 0.220 73 G C 1.715 176.640 174.900 0.041 0.000 1.121 73 G CA 0.090 45.217 45.100 0.044 0.000 0.766 73 G HN 0.283 nan 8.290 nan 0.000 0.553 74 L N 0.550 121.783 121.223 0.017 0.000 2.291 74 L HA 0.075 4.587 4.340 0.287 0.000 0.214 74 L C 1.376 178.257 176.870 0.019 0.000 1.120 74 L CA 0.599 55.451 54.840 0.020 0.000 0.799 74 L CB -0.458 41.597 42.059 -0.007 0.000 0.925 74 L HN 0.152 nan 8.230 nan 0.000 0.446 75 T N -2.114 112.453 114.554 0.021 0.000 2.841 75 T HA 0.211 4.733 4.350 0.287 0.000 0.276 75 T C -0.241 174.510 174.700 0.084 0.000 1.003 75 T CA -0.629 61.514 62.100 0.073 0.000 0.995 75 T CB 1.365 70.294 68.868 0.102 0.000 1.260 75 T HN -0.131 nan 8.240 nan 0.000 0.581 76 N N 1.315 120.091 118.700 0.127 0.000 2.699 76 N HA 0.153 5.065 4.740 0.287 0.000 0.232 76 N C 0.377 175.925 175.510 0.065 0.000 1.027 76 N CA -0.536 52.542 53.050 0.047 0.000 0.920 76 N CB 0.644 39.118 38.487 -0.021 0.000 1.148 76 N HN 0.502 nan 8.380 nan 0.000 0.509 77 L N 2.837 124.092 121.223 0.054 0.000 2.201 77 L HA 0.010 4.522 4.340 0.287 0.000 0.212 77 L C 1.258 178.128 176.870 -0.000 0.000 1.105 77 L CA 1.649 56.529 54.840 0.066 0.000 0.775 77 L CB -0.184 41.888 42.059 0.022 0.000 0.913 77 L HN 0.394 nan 8.230 nan 0.000 0.440 78 D N 0.054 120.421 120.400 -0.055 0.000 2.149 78 D HA -0.200 4.612 4.640 0.287 0.000 0.198 78 D C 2.134 178.359 176.300 -0.124 0.000 0.990 78 D CA 1.409 55.352 54.000 -0.095 0.000 0.839 78 D CB -0.065 40.684 40.800 -0.086 0.000 0.948 78 D HN 0.548 nan 8.370 nan 0.000 0.460 79 R N -0.743 119.641 120.500 -0.193 0.000 2.299 79 R HA -0.036 4.476 4.340 0.287 0.000 0.197 79 R C 0.988 177.062 176.300 -0.377 0.000 0.971 79 R CA 0.644 56.553 56.100 -0.318 0.000 1.030 79 R CB -0.234 29.794 30.300 -0.453 0.000 0.932 79 R HN 0.218 nan 8.270 nan 0.000 0.477 80 Y N 2.037 122.321 120.300 -0.025 0.000 2.498 80 Y HA 0.178 4.900 4.550 0.286 0.000 0.259 80 Y C 0.365 176.263 175.900 -0.004 0.000 1.086 80 Y CA -0.601 57.488 58.100 -0.018 0.000 1.287 80 Y CB 0.339 38.787 38.460 -0.021 0.000 1.146 80 Y HN 0.009 nan 8.280 nan 0.000 0.523 81 K N 1.169 121.650 120.400 0.135 0.000 2.448 81 K HA 0.300 4.792 4.320 0.287 0.000 0.278 81 K C 0.648 177.291 176.600 0.073 0.000 1.009 81 K CA 0.152 56.541 56.287 0.171 0.000 0.995 81 K CB 0.555 33.124 32.500 0.117 0.000 0.917 81 K HN 0.139 nan 8.250 nan 0.000 0.481 82 G N 2.749 111.590 108.800 0.069 0.000 2.544 82 G HA2 0.159 4.291 3.960 0.287 0.000 0.242 82 G HA3 0.159 4.291 3.960 0.287 0.000 0.242 82 G C -0.723 174.144 174.900 -0.055 0.000 1.247 82 G CA -0.818 44.179 45.100 -0.171 0.000 0.840 82 G HN 0.665 nan 8.290 nan 0.000 0.578 83 R N 0.386 120.795 120.500 -0.151 0.000 2.514 83 R HA 0.257 4.769 4.340 0.287 0.000 0.296 83 R C -1.183 175.169 176.300 0.087 0.000 1.012 83 R CA -0.667 55.401 56.100 -0.054 0.000 0.897 83 R CB 1.864 32.000 30.300 -0.274 0.000 1.184 83 R HN 0.511 nan 8.270 nan 0.000 0.440 84 C N 5.121 124.500 119.300 0.131 0.000 2.520 84 C HA 0.195 4.827 4.460 0.287 0.000 0.369 84 C C 0.986 176.104 174.990 0.213 0.000 1.244 84 C CA -0.359 58.772 59.018 0.189 0.000 1.677 84 C CB -1.230 26.642 27.740 0.220 0.000 2.324 84 C HN 0.964 nan 8.230 nan 0.000 0.557 85 Y N 2.739 123.162 120.300 0.205 0.000 2.481 85 Y HA 0.483 5.205 4.550 0.286 0.000 0.247 85 Y C 0.550 176.607 175.900 0.261 0.000 1.151 85 Y CA -0.311 57.891 58.100 0.170 0.000 1.238 85 Y CB -0.354 38.262 38.460 0.260 0.000 1.179 85 Y HN 0.755 nan 8.280 nan 0.000 0.524 86 H N 0.680 119.601 119.070 -0.249 0.000 3.137 86 H HA 0.456 5.184 4.556 0.286 0.000 0.336 86 H C -1.848 173.555 175.328 0.125 0.000 1.055 86 H CA -0.744 55.260 56.048 -0.074 0.000 1.349 86 H CB 1.728 31.320 29.762 -0.284 0.000 1.939 86 H HN 0.155 nan 8.280 nan 0.000 0.487 87 I N 4.385 124.745 120.570 -0.351 0.000 2.441 87 I HA 0.245 4.587 4.170 0.287 0.000 0.295 87 I C -0.439 175.468 176.117 -0.349 0.000 0.994 87 I CA -0.555 60.614 61.300 -0.218 0.000 1.144 87 I CB 2.014 39.925 38.000 -0.149 0.000 1.314 87 I HN 0.555 nan 8.210 nan 0.000 0.445 88 E N 6.489 126.685 120.200 -0.006 0.000 2.290 88 E HA 0.536 5.058 4.350 0.287 0.000 0.274 88 E C -2.932 173.785 176.600 0.194 0.000 0.889 88 E CA -2.237 54.221 56.400 0.095 0.000 0.760 88 E CB 2.136 31.961 29.700 0.208 0.000 1.206 88 E HN 0.130 nan 8.360 nan 0.000 0.419 89 P HA -0.000 nan 4.420 nan 0.000 0.269 89 P C -0.476 176.829 177.300 0.008 0.000 1.209 89 P CA -0.405 62.759 63.100 0.108 0.000 0.776 89 P CB 0.668 32.425 31.700 0.095 0.000 0.876 90 V N 2.279 122.125 119.914 -0.113 0.000 2.432 90 V HA 0.401 4.693 4.120 0.287 0.000 0.275 90 V C 0.656 176.712 176.094 -0.063 0.000 1.043 90 V CA -0.614 61.645 62.300 -0.069 0.000 0.925 90 V CB 0.752 32.523 31.823 -0.086 0.000 0.985 90 V HN 0.667 nan 8.190 nan 0.000 0.466 91 A N 4.098 126.905 122.820 -0.022 0.000 2.454 91 A HA 0.561 5.053 4.320 0.287 0.000 0.260 91 A C 1.296 178.868 177.584 -0.020 0.000 1.106 91 A CA 0.447 52.474 52.037 -0.016 0.000 0.780 91 A CB -0.254 18.744 19.000 -0.003 0.000 1.044 91 A HN 2.115 nan 8.150 nan 0.000 0.498 92 G N 1.746 110.533 108.800 -0.023 0.000 2.198 92 G HA2 -0.145 3.987 3.960 0.287 0.000 0.257 92 G HA3 -0.145 3.987 3.960 0.287 0.000 0.257 92 G C -0.254 174.629 174.900 -0.028 0.000 1.042 92 G CA 0.429 45.518 45.100 -0.019 0.000 0.791 92 G HN 0.824 nan 8.290 nan 0.000 0.502 93 E N 0.061 120.230 120.200 -0.053 0.000 2.290 93 E HA 0.288 4.810 4.350 0.287 0.000 0.274 93 E C -0.375 176.167 176.600 -0.098 0.000 0.889 93 E CA -0.796 55.564 56.400 -0.067 0.000 0.760 93 E CB 1.473 31.126 29.700 -0.078 0.000 1.206 93 E HN 0.309 nan 8.360 nan 0.000 0.419 94 E N 1.386 121.542 120.200 -0.074 0.000 2.373 94 E HA 0.040 4.562 4.350 0.287 0.000 0.267 94 E C 0.073 176.602 176.600 -0.118 0.000 1.032 94 E CA -0.114 56.238 56.400 -0.079 0.000 0.889 94 E CB 0.344 30.022 29.700 -0.037 0.000 0.984 94 E HN 0.407 nan 8.360 nan 0.000 0.425 95 N N 2.206 120.817 118.700 -0.148 0.000 2.699 95 N HA -0.256 4.656 4.740 0.287 0.000 0.256 95 N C -0.932 174.416 175.510 -0.271 0.000 0.993 95 N CA 1.012 53.976 53.050 -0.144 0.000 0.759 95 N CB -0.589 37.908 38.487 0.016 0.000 0.906 95 N HN 0.485 nan 8.380 nan 0.000 0.541 96 Q N 0.619 120.059 119.800 -0.601 0.000 2.289 96 Q HA 0.478 4.990 4.340 0.287 0.000 0.270 96 Q C -1.617 173.982 176.000 -0.670 0.000 1.038 96 Q CA -0.712 54.831 55.803 -0.433 0.000 0.812 96 Q CB 1.094 29.723 28.738 -0.182 0.000 1.300 96 Q HN 0.271 nan 8.270 nan 0.000 0.427 97 Y N 2.407 122.698 120.300 -0.015 0.000 2.477 97 Y HA 0.442 5.164 4.550 0.287 0.000 0.347 97 Y C -0.093 175.797 175.900 -0.016 0.000 0.981 97 Y CA -1.172 56.918 58.100 -0.017 0.000 1.033 97 Y CB 1.545 39.981 38.460 -0.041 0.000 1.245 97 Y HN 0.479 nan 8.280 nan 0.000 0.455 98 I N 2.741 123.392 120.570 0.135 0.000 2.471 98 I HA 0.089 4.431 4.170 0.287 0.000 0.286 98 I C -0.264 175.885 176.117 0.054 0.000 1.079 98 I CA -0.274 61.049 61.300 0.038 0.000 1.398 98 I CB 0.048 38.065 38.000 0.030 0.000 1.403 98 I HN 0.616 nan 8.210 nan 0.000 0.530 99 C N 7.508 126.806 119.300 -0.003 0.000 2.298 99 C HA 0.452 5.084 4.460 0.287 0.000 0.323 99 C C -0.024 174.974 174.990 0.013 0.000 1.284 99 C CA -0.780 58.270 59.018 0.052 0.000 1.577 99 C CB -0.066 27.700 27.740 0.042 0.000 2.249 99 C HN 0.497 nan 8.230 nan 0.000 0.497 100 Y N 1.868 122.173 120.300 0.009 0.000 2.304 100 Y HA 0.525 5.247 4.550 0.286 0.000 0.328 100 Y C 0.404 176.286 175.900 -0.030 0.000 1.123 100 Y CA -0.350 57.734 58.100 -0.027 0.000 1.218 100 Y CB 0.574 38.854 38.460 -0.299 0.000 1.207 100 Y HN 0.403 nan 8.280 nan 0.000 0.495 101 V N 2.681 122.810 119.914 0.358 0.000 2.540 101 V HA 0.783 5.075 4.120 0.287 0.000 0.302 101 V C -0.303 175.992 176.094 0.336 0.000 1.035 101 V CA -1.195 61.272 62.300 0.280 0.000 0.873 101 V CB 1.543 33.460 31.823 0.157 0.000 0.992 101 V HN 0.875 nan 8.190 nan 0.000 0.428 102 A N 4.111 127.082 122.820 0.252 0.000 2.304 102 A HA 0.833 5.325 4.320 0.287 0.000 0.323 102 A C -1.358 176.146 177.584 -0.132 0.000 1.195 102 A CA -0.365 51.753 52.037 0.135 0.000 0.826 102 A CB 0.482 19.577 19.000 0.159 0.000 1.184 102 A HN 0.739 nan 8.150 nan 0.000 0.496 103 Y N 2.880 123.289 120.300 0.182 0.000 2.328 103 Y HA 0.407 5.129 4.550 0.287 0.000 0.337 103 Y C -2.165 173.846 175.900 0.186 0.000 0.966 103 Y CA -2.392 55.819 58.100 0.185 0.000 1.136 103 Y CB 1.433 40.109 38.460 0.359 0.000 1.170 103 Y HN 0.497 nan 8.280 nan 0.000 0.470 104 P HA -0.083 nan 4.420 nan 0.000 0.267 104 P C 0.823 178.266 177.300 0.237 0.000 1.200 104 P CA -0.096 63.107 63.100 0.171 0.000 0.772 104 P CB 0.919 32.674 31.700 0.091 0.000 0.855 105 L N 3.141 124.480 121.223 0.194 0.000 2.021 105 L HA -0.245 4.267 4.340 0.287 0.000 0.215 105 L C 1.438 178.421 176.870 0.187 0.000 1.074 105 L CA 2.135 57.091 54.840 0.192 0.000 0.760 105 L CB -1.324 40.804 42.059 0.115 0.000 0.889 105 L HN 0.302 nan 8.230 nan 0.000 0.433 106 D N -0.648 119.838 120.400 0.144 0.000 2.228 106 D HA -0.215 4.596 4.640 0.287 0.000 0.203 106 D C 2.256 178.585 176.300 0.048 0.000 0.988 106 D CA 1.181 55.267 54.000 0.144 0.000 0.864 106 D CB -0.275 40.683 40.800 0.262 0.000 0.928 106 D HN 0.399 nan 8.370 nan 0.000 0.469 107 L N -0.776 120.387 121.223 -0.100 0.000 2.353 107 L HA -0.075 4.437 4.340 0.287 0.000 0.220 107 L C 0.283 176.826 176.870 -0.544 0.000 1.133 107 L CA 0.424 55.020 54.840 -0.407 0.000 0.798 107 L CB -0.236 41.394 42.059 -0.716 0.000 0.922 107 L HN -0.081 nan 8.230 nan 0.000 0.445 108 F N -0.419 119.486 119.950 -0.074 0.000 2.450 108 F HA 0.293 4.992 4.527 0.287 0.000 0.332 108 F C 0.642 176.457 175.800 0.025 0.000 1.093 108 F CA -1.299 56.641 58.000 -0.099 0.000 1.003 108 F CB 1.058 39.794 39.000 -0.441 0.000 1.151 108 F HN -0.190 nan 8.300 nan 0.000 0.474 109 E N 1.940 122.299 120.200 0.266 0.000 2.223 109 E HA 0.162 4.684 4.350 0.287 0.000 0.282 109 E C -0.786 175.965 176.600 0.252 0.000 1.046 109 E CA -0.618 55.896 56.400 0.190 0.000 0.857 109 E CB 0.500 30.262 29.700 0.104 0.000 1.055 109 E HN 0.448 nan 8.360 nan 0.000 0.409 110 E N 2.892 123.198 120.200 0.178 0.000 2.608 110 E HA 0.108 4.630 4.350 0.287 0.000 0.259 110 E C 0.993 177.408 176.600 -0.307 0.000 0.951 110 E CA 1.412 57.828 56.400 0.026 0.000 0.945 110 E CB 0.276 29.974 29.700 -0.003 0.000 0.916 110 E HN 0.817 nan 8.360 nan 0.000 0.477 111 G N 2.486 110.730 108.800 -0.927 0.000 2.168 111 G HA2 -0.331 3.801 3.960 0.287 0.000 0.257 111 G HA3 -0.331 3.801 3.960 0.287 0.000 0.257 111 G C 0.307 174.644 174.900 -0.937 0.000 0.997 111 G CA 0.516 44.721 45.100 -1.492 0.000 0.708 111 G HN 0.611 nan 8.290 nan 0.000 0.520 112 S N -0.448 115.013 115.700 -0.399 0.000 2.577 112 S HA 0.524 5.166 4.470 0.287 0.000 0.294 112 S C 1.599 176.287 174.600 0.147 0.000 1.161 112 S CA 0.157 58.339 58.200 -0.031 0.000 1.143 112 S CB 1.178 64.391 63.200 0.021 0.000 0.991 112 S HN 0.603 nan 8.310 nan 0.000 0.475 113 V N 4.799 124.814 119.914 0.167 0.000 2.324 113 V HA -0.185 4.107 4.120 0.287 0.000 0.250 113 V C 2.621 178.467 176.094 -0.413 0.000 1.060 113 V CA 2.674 64.803 62.300 -0.285 0.000 1.042 113 V CB -1.168 30.312 31.823 -0.571 0.000 0.650 113 V HN 0.858 nan 8.190 nan 0.000 0.450 114 T N 0.058 114.515 114.554 -0.162 0.000 2.653 114 T HA -0.288 4.234 4.350 0.287 0.000 0.268 114 T C 1.895 176.621 174.700 0.044 0.000 1.035 114 T CA 2.038 64.129 62.100 -0.016 0.000 1.154 114 T CB -0.516 68.398 68.868 0.077 0.000 0.862 114 T HN 0.619 nan 8.240 nan 0.000 0.441 115 N N 0.568 119.315 118.700 0.079 0.000 2.270 115 N HA -0.040 4.872 4.740 0.287 0.000 0.181 115 N C 2.064 177.694 175.510 0.201 0.000 1.016 115 N CA 0.947 54.076 53.050 0.132 0.000 0.870 115 N CB -0.206 38.369 38.487 0.147 0.000 0.979 115 N HN 0.434 nan 8.380 nan 0.000 0.431 116 M N -0.529 119.196 119.600 0.209 0.000 2.229 116 M HA -0.108 4.544 4.480 0.287 0.000 0.264 116 M C 0.987 177.444 176.300 0.262 0.000 1.063 116 M CA 1.271 56.721 55.300 0.251 0.000 1.114 116 M CB -0.053 32.543 32.600 -0.006 0.000 1.387 116 M HN -0.008 nan 8.290 nan 0.000 0.420 117 F N 0.288 120.233 119.950 -0.007 0.000 2.335 117 F HA 0.015 4.714 4.527 0.286 0.000 0.296 117 F C 2.469 178.276 175.800 0.011 0.000 1.091 117 F CA 1.115 59.092 58.000 -0.038 0.000 1.399 117 F CB -1.362 37.573 39.000 -0.109 0.000 1.067 117 F HN 0.157 nan 8.300 nan 0.000 0.520 118 T N -0.372 114.313 114.554 0.218 0.000 2.708 118 T HA -0.154 4.367 4.350 0.287 0.000 0.266 118 T C 2.300 177.065 174.700 0.108 0.000 1.037 118 T CA 1.847 64.028 62.100 0.134 0.000 1.146 118 T CB -0.309 68.621 68.868 0.104 0.000 0.865 118 T HN 0.134 nan 8.240 nan 0.000 0.435 119 S N 1.349 117.106 115.700 0.095 0.000 2.335 119 S HA 0.026 4.668 4.470 0.287 0.000 0.216 119 S C 2.080 176.731 174.600 0.085 0.000 1.032 119 S CA 1.043 59.272 58.200 0.048 0.000 1.000 119 S CB -0.481 62.685 63.200 -0.057 0.000 0.928 119 S HN 0.415 nan 8.310 nan 0.000 0.434 120 I N 0.670 121.286 120.570 0.076 0.000 2.567 120 I HA -0.036 4.306 4.170 0.287 0.000 0.257 120 I C 1.443 177.727 176.117 0.279 0.000 1.184 120 I CA 0.878 62.250 61.300 0.120 0.000 1.451 120 I CB -0.010 38.000 38.000 0.016 0.000 1.089 120 I HN 0.132 nan 8.210 nan 0.000 0.441 121 V N -0.039 119.982 119.914 0.178 0.000 3.276 121 V HA 0.278 4.570 4.120 0.287 0.000 0.319 121 V C 1.626 177.765 176.094 0.075 0.000 1.476 121 V CA 0.470 62.852 62.300 0.136 0.000 1.097 121 V CB 0.659 32.400 31.823 -0.137 0.000 0.988 121 V HN 0.366 nan 8.190 nan 0.000 0.473 122 G N 1.113 109.987 108.800 0.123 0.000 2.464 122 G HA2 -0.163 3.969 3.960 0.287 0.000 0.214 122 G HA3 -0.163 3.969 3.960 0.287 0.000 0.214 122 G C 1.097 176.072 174.900 0.126 0.000 1.218 122 G CA 1.204 46.363 45.100 0.098 0.000 0.794 122 G HN 0.531 nan 8.290 nan 0.000 0.542 123 N N -0.471 118.335 118.700 0.176 0.000 2.239 123 N HA 0.023 4.935 4.740 0.287 0.000 0.208 123 N C 2.173 177.866 175.510 0.306 0.000 1.200 123 N CA 0.805 53.978 53.050 0.205 0.000 0.895 123 N CB 0.700 39.301 38.487 0.190 0.000 1.085 123 N HN 0.291 nan 8.380 nan 0.000 0.500 124 V N -1.508 118.568 119.914 0.271 0.000 2.667 124 V HA 0.026 4.318 4.120 0.287 0.000 0.252 124 V C 1.623 177.811 176.094 0.155 0.000 1.065 124 V CA 1.125 63.501 62.300 0.127 0.000 1.083 124 V CB -1.077 30.592 31.823 -0.256 0.000 0.692 124 V HN -0.101 nan 8.190 nan 0.000 0.468 125 F N 2.611 122.597 119.950 0.060 0.000 2.604 125 F HA 0.297 4.996 4.527 0.287 0.000 0.298 125 F C 2.314 178.222 175.800 0.179 0.000 1.131 125 F CA 0.923 58.976 58.000 0.088 0.000 1.457 125 F CB -0.832 38.197 39.000 0.048 0.000 1.095 125 F HN 0.325 nan 8.300 nan 0.000 0.574 126 G N -1.554 107.439 108.800 0.320 0.000 3.088 126 G HA2 -0.015 4.117 3.960 0.287 0.000 0.217 126 G HA3 -0.015 4.117 3.960 0.287 0.000 0.217 126 G C 0.250 175.225 174.900 0.125 0.000 1.159 126 G CA -0.265 44.950 45.100 0.192 0.000 0.760 126 G HN 0.038 nan 8.290 nan 0.000 0.550 127 F N 1.554 121.513 119.950 0.014 0.000 2.612 127 F HA 0.088 4.787 4.527 0.286 0.000 0.389 127 F C 1.858 177.653 175.800 -0.009 0.000 1.055 127 F CA 0.399 58.389 58.000 -0.016 0.000 1.232 127 F CB 0.844 39.805 39.000 -0.064 0.000 1.044 127 F HN -0.020 nan 8.300 nan 0.000 0.560 128 K N 2.917 123.299 120.400 -0.030 0.000 2.113 128 K HA -0.207 4.284 4.320 0.287 0.000 0.208 128 K C 1.828 178.469 176.600 0.068 0.000 1.047 128 K CA 1.505 57.793 56.287 0.001 0.000 0.928 128 K CB -0.174 32.290 32.500 -0.059 0.000 0.716 128 K HN 0.700 nan 8.250 nan 0.000 0.446 129 A N 0.746 123.652 122.820 0.143 0.000 2.238 129 A HA 0.115 4.607 4.320 0.287 0.000 0.208 129 A C 0.587 178.219 177.584 0.080 0.000 1.177 129 A CA 0.244 52.350 52.037 0.115 0.000 0.804 129 A CB -0.135 18.957 19.000 0.153 0.000 0.823 129 A HN 0.079 nan 8.150 nan 0.000 0.482 130 L N -1.707 119.567 121.223 0.085 0.000 2.334 130 L HA 0.482 4.994 4.340 0.287 0.000 0.273 130 L C 1.257 178.159 176.870 0.053 0.000 1.013 130 L CA -0.743 54.122 54.840 0.041 0.000 0.816 130 L CB 1.563 43.620 42.059 -0.002 0.000 1.278 130 L HN 0.104 nan 8.230 nan 0.000 0.431 131 R N 1.175 121.702 120.500 0.046 0.000 2.112 131 R HA 0.396 4.908 4.340 0.287 0.000 0.216 131 R C -0.002 176.347 176.300 0.081 0.000 1.080 131 R CA 0.678 56.806 56.100 0.048 0.000 0.996 131 R CB 0.424 30.746 30.300 0.037 0.000 0.902 131 R HN 0.759 nan 8.270 nan 0.000 0.449 132 A N 0.215 123.100 122.820 0.109 0.000 2.605 132 A HA 0.607 5.099 4.320 0.287 0.000 0.294 132 A C -2.075 175.566 177.584 0.094 0.000 1.062 132 A CA -0.627 51.551 52.037 0.235 0.000 0.682 132 A CB 1.524 20.645 19.000 0.202 0.000 1.278 132 A HN 0.044 nan 8.150 nan 0.000 0.410 133 L N 0.440 121.676 121.223 0.022 0.000 2.506 133 L HA 0.850 5.362 4.340 0.287 0.000 0.257 133 L C -0.915 175.784 176.870 -0.285 0.000 0.964 133 L CA -0.148 54.511 54.840 -0.302 0.000 0.836 133 L CB 2.007 43.642 42.059 -0.708 0.000 1.384 133 L HN 0.831 nan 8.230 nan 0.000 0.410 134 R N 3.933 124.390 120.500 -0.073 0.000 2.512 134 R HA 0.441 4.953 4.340 0.287 0.000 0.291 134 R C -1.868 174.523 176.300 0.152 0.000 1.097 134 R CA -0.842 55.339 56.100 0.136 0.000 0.940 134 R CB 1.647 31.995 30.300 0.081 0.000 1.198 134 R HN 0.715 nan 8.270 nan 0.000 0.429 135 L N 4.748 126.115 121.223 0.239 0.000 2.485 135 L HA 0.145 4.657 4.340 0.287 0.000 0.279 135 L C 1.001 177.810 176.870 -0.102 0.000 1.124 135 L CA 0.709 55.516 54.840 -0.056 0.000 0.888 135 L CB 0.746 42.774 42.059 -0.052 0.000 1.217 135 L HN 0.649 nan 8.230 nan 0.000 0.464 136 E N 2.182 122.223 120.200 -0.265 0.000 2.122 136 E HA 0.037 4.559 4.350 0.287 0.000 0.190 136 E C -0.099 176.355 176.600 -0.243 0.000 0.977 136 E CA 0.615 56.843 56.400 -0.287 0.000 0.820 136 E CB 0.290 29.568 29.700 -0.704 0.000 0.770 136 E HN 0.754 nan 8.360 nan 0.000 0.462 137 D N -1.397 118.834 120.400 -0.282 0.000 2.653 137 D HA 0.370 5.182 4.640 0.287 0.000 0.258 137 D C -1.572 174.823 176.300 0.157 0.000 1.252 137 D CA -0.471 53.520 54.000 -0.015 0.000 0.777 137 D CB 1.091 41.911 40.800 0.034 0.000 1.339 137 D HN -0.126 nan 8.370 nan 0.000 0.422 138 L N 1.215 122.559 121.223 0.202 0.000 2.422 138 L HA 0.520 5.032 4.340 0.287 0.000 0.264 138 L C -0.337 176.502 176.870 -0.051 0.000 0.984 138 L CA -0.885 53.986 54.840 0.052 0.000 0.819 138 L CB 2.305 44.349 42.059 -0.024 0.000 1.330 138 L HN 0.235 nan 8.230 nan 0.000 0.410 139 R N 3.642 123.905 120.500 -0.395 0.000 2.522 139 R HA 0.397 4.909 4.340 0.287 0.000 0.290 139 R C -1.032 175.083 176.300 -0.307 0.000 1.216 139 R CA -0.714 55.144 56.100 -0.404 0.000 1.250 139 R CB -0.044 29.824 30.300 -0.719 0.000 1.143 139 R HN 0.461 nan 8.270 nan 0.000 0.553 140 I N 6.721 127.121 120.570 -0.284 0.000 2.452 140 I HA 0.142 4.484 4.170 0.287 0.000 0.287 140 I C -1.597 174.386 176.117 -0.223 0.000 1.079 140 I CA -1.575 59.575 61.300 -0.250 0.000 1.387 140 I CB 0.640 38.469 38.000 -0.286 0.000 1.404 140 I HN 0.280 nan 8.210 nan 0.000 0.522 141 P HA 0.005 nan 4.420 nan 0.000 0.272 141 P C 1.082 178.349 177.300 -0.054 0.000 1.230 141 P CA -0.302 62.748 63.100 -0.084 0.000 0.788 141 P CB 1.145 32.822 31.700 -0.038 0.000 0.949 142 V N -0.342 119.544 119.914 -0.046 0.000 2.594 142 V HA -0.191 4.101 4.120 0.287 0.000 0.253 142 V C 2.141 178.257 176.094 0.038 0.000 1.069 142 V CA 2.096 64.385 62.300 -0.018 0.000 1.082 142 V CB -2.089 29.732 31.823 -0.004 0.000 0.680 142 V HN 0.536 nan 8.190 nan 0.000 0.469 143 A N -1.358 121.499 122.820 0.062 0.000 2.066 143 A HA -0.022 4.470 4.320 0.287 0.000 0.218 143 A C 2.075 179.764 177.584 0.174 0.000 1.157 143 A CA 1.385 53.479 52.037 0.095 0.000 0.670 143 A CB -0.712 18.336 19.000 0.080 0.000 0.804 143 A HN 0.683 nan 8.150 nan 0.000 0.453 144 Y N 0.059 120.372 120.300 0.021 0.000 2.286 144 Y HA -0.049 4.673 4.550 0.287 0.000 0.293 144 Y C 2.342 178.332 175.900 0.150 0.000 1.124 144 Y CA 0.974 59.114 58.100 0.068 0.000 1.178 144 Y CB -0.335 38.114 38.460 -0.018 0.000 1.010 144 Y HN 0.064 nan 8.280 nan 0.000 0.536 145 V N 0.762 120.709 119.914 0.055 0.000 2.278 145 V HA -0.366 3.926 4.120 0.287 0.000 0.251 145 V C 2.317 178.479 176.094 0.114 0.000 1.062 145 V CA 2.237 64.543 62.300 0.010 0.000 1.038 145 V CB -0.501 31.312 31.823 -0.017 0.000 0.646 145 V HN 0.269 nan 8.190 nan 0.000 0.447 146 K N 0.387 120.843 120.400 0.093 0.000 2.442 146 K HA -0.111 4.381 4.320 0.287 0.000 0.198 146 K C 2.060 178.694 176.600 0.057 0.000 1.044 146 K CA 1.602 57.937 56.287 0.079 0.000 0.948 146 K CB -0.791 31.744 32.500 0.059 0.000 0.762 146 K HN 0.779 nan 8.250 nan 0.000 0.472 147 T N -1.995 112.579 114.554 0.034 0.000 3.113 147 T HA 0.063 4.584 4.350 0.287 0.000 0.256 147 T C 0.535 175.078 174.700 -0.263 0.000 1.131 147 T CA -0.096 61.933 62.100 -0.118 0.000 1.074 147 T CB -0.198 68.537 68.868 -0.222 0.000 0.944 147 T HN -0.168 nan 8.240 nan 0.000 0.516 148 F N 1.418 121.287 119.950 -0.135 0.000 2.425 148 F HA 0.482 5.181 4.527 0.287 0.000 0.331 148 F C 1.627 177.412 175.800 -0.024 0.000 1.085 148 F CA -1.501 56.449 58.000 -0.084 0.000 1.028 148 F CB 1.666 40.598 39.000 -0.114 0.000 1.177 148 F HN -0.092 nan 8.300 nan 0.000 0.487 149 Q N 2.205 122.118 119.800 0.187 0.000 2.119 149 Q HA 0.103 4.615 4.340 0.287 0.000 0.201 149 Q C 1.180 177.242 176.000 0.102 0.000 0.972 149 Q CA 1.223 57.091 55.803 0.108 0.000 0.847 149 Q CB -0.210 28.584 28.738 0.094 0.000 0.903 149 Q HN 1.012 nan 8.270 nan 0.000 0.433 150 G N 0.554 109.434 108.800 0.133 0.000 2.641 150 G HA2 -0.276 3.856 3.960 0.287 0.000 0.254 150 G HA3 -0.276 3.856 3.960 0.287 0.000 0.254 150 G C -2.391 172.509 174.900 0.001 0.000 1.315 150 G CA -0.294 44.833 45.100 0.046 0.000 0.907 150 G HN 0.382 nan 8.290 nan 0.000 0.572 151 P HA 0.151 nan 4.420 nan 0.000 0.261 151 P C -1.668 175.585 177.300 -0.079 0.000 1.173 151 P CA -0.260 62.803 63.100 -0.061 0.000 0.760 151 P CB 0.175 31.832 31.700 -0.070 0.000 0.783 152 P HA -0.211 nan 4.420 nan 0.000 0.216 152 P C 1.011 177.963 177.300 -0.581 0.000 1.157 152 P CA 1.996 64.934 63.100 -0.270 0.000 0.880 152 P CB -0.047 31.561 31.700 -0.153 0.000 0.791 153 H N -2.759 116.305 119.070 -0.010 0.000 2.247 153 H HA 0.376 5.104 4.556 0.287 0.000 0.267 153 H C 1.221 176.549 175.328 0.001 0.000 0.952 153 H CA 1.239 57.286 56.048 -0.001 0.000 1.250 153 H CB 0.056 29.820 29.762 0.003 0.000 1.441 153 H HN 0.146 nan 8.280 nan 0.000 0.553 154 G N 0.579 109.449 108.800 0.117 0.000 2.663 154 G HA2 -0.185 3.947 3.960 0.287 0.000 0.686 154 G HA3 -0.185 3.947 3.960 0.287 0.000 0.686 154 G C 0.658 175.602 174.900 0.073 0.000 1.288 154 G CA -0.088 45.042 45.100 0.050 0.000 0.836 154 G HN 0.209 nan 8.290 nan 0.000 0.584 155 I N 0.280 120.877 120.570 0.045 0.000 2.226 155 I HA -0.214 4.127 4.170 0.287 0.000 0.245 155 I C 2.914 179.077 176.117 0.075 0.000 1.100 155 I CA 2.242 63.575 61.300 0.055 0.000 1.374 155 I CB -0.150 37.869 38.000 0.033 0.000 1.057 155 I HN 0.726 nan 8.210 nan 0.000 0.413 156 Q N 0.886 120.731 119.800 0.076 0.000 2.020 156 Q HA -0.185 4.327 4.340 0.287 0.000 0.202 156 Q C 2.411 178.474 176.000 0.104 0.000 0.982 156 Q CA 2.108 57.968 55.803 0.095 0.000 0.838 156 Q CB -0.018 28.767 28.738 0.079 0.000 0.899 156 Q HN 0.355 nan 8.270 nan 0.000 0.423 157 V N 1.419 121.393 119.914 0.100 0.000 2.295 157 V HA -0.266 4.026 4.120 0.287 0.000 0.246 157 V C 2.351 178.489 176.094 0.074 0.000 1.049 157 V CA 2.288 64.652 62.300 0.106 0.000 1.024 157 V CB -0.741 31.181 31.823 0.165 0.000 0.648 157 V HN 0.498 nan 8.190 nan 0.000 0.447 158 E N 0.163 120.412 120.200 0.082 0.000 2.038 158 E HA -0.260 4.262 4.350 0.287 0.000 0.195 158 E C 2.486 179.103 176.600 0.028 0.000 1.000 158 E CA 1.508 57.943 56.400 0.059 0.000 0.803 158 E CB -0.094 29.678 29.700 0.120 0.000 0.750 158 E HN 0.498 nan 8.360 nan 0.000 0.448 159 R N 0.302 120.811 120.500 0.014 0.000 2.096 159 R HA -0.132 4.380 4.340 0.287 0.000 0.235 159 R C 1.960 178.136 176.300 -0.206 0.000 1.127 159 R CA 1.499 57.525 56.100 -0.123 0.000 0.968 159 R CB -0.157 30.110 30.300 -0.055 0.000 0.861 159 R HN 0.298 nan 8.270 nan 0.000 0.440 160 D N 0.397 120.807 120.400 0.016 0.000 2.149 160 D HA -0.101 4.711 4.640 0.287 0.000 0.201 160 D C 1.803 178.114 176.300 0.018 0.000 0.972 160 D CA 0.914 54.968 54.000 0.090 0.000 0.835 160 D CB 0.009 40.892 40.800 0.138 0.000 0.966 160 D HN 0.020 nan 8.370 nan 0.000 0.476 161 K N 0.591 120.988 120.400 -0.005 0.000 2.026 161 K HA -0.034 4.458 4.320 0.287 0.000 0.208 161 K C 2.235 178.817 176.600 -0.030 0.000 1.048 161 K CA 0.571 56.845 56.287 -0.022 0.000 0.929 161 K CB -0.395 32.067 32.500 -0.062 0.000 0.713 161 K HN 0.265 nan 8.250 nan 0.000 0.439 162 L N -0.030 121.161 121.223 -0.054 0.000 2.446 162 L HA 0.073 4.585 4.340 0.287 0.000 0.219 162 L C 0.619 177.418 176.870 -0.119 0.000 1.116 162 L CA 0.070 54.874 54.840 -0.060 0.000 0.844 162 L CB -0.330 41.707 42.059 -0.036 0.000 0.970 162 L HN 0.419 nan 8.230 nan 0.000 0.457 163 N N 1.256 119.837 118.700 -0.199 0.000 2.815 163 N HA -0.154 4.758 4.740 0.287 0.000 0.248 163 N C -0.468 174.802 175.510 -0.400 0.000 1.110 163 N CA 0.315 53.222 53.050 -0.239 0.000 0.699 163 N CB -0.383 38.077 38.487 -0.045 0.000 1.040 163 N HN 0.337 nan 8.380 nan 0.000 0.555 164 K N 1.582 121.586 120.400 -0.659 0.000 2.507 164 K HA 0.347 4.839 4.320 0.287 0.000 0.253 164 K C -1.410 174.857 176.600 -0.555 0.000 0.969 164 K CA -0.322 55.695 56.287 -0.450 0.000 0.908 164 K CB 0.912 33.264 32.500 -0.247 0.000 1.127 164 K HN 0.089 nan 8.250 nan 0.000 0.437 165 Y N -0.585 119.721 120.300 0.010 0.000 2.602 165 Y HA 0.439 5.160 4.550 0.285 0.000 0.342 165 Y C 1.213 177.121 175.900 0.013 0.000 1.029 165 Y CA -0.761 57.348 58.100 0.015 0.000 1.080 165 Y CB 2.256 40.724 38.460 0.014 0.000 1.284 165 Y HN 0.743 nan 8.280 nan 0.000 0.485 166 G N 1.154 110.070 108.800 0.194 0.000 2.148 166 G HA2 -0.217 3.915 3.960 0.287 0.000 0.254 166 G HA3 -0.217 3.915 3.960 0.287 0.000 0.254 166 G C -0.174 174.773 174.900 0.078 0.000 0.981 166 G CA 0.411 45.578 45.100 0.112 0.000 0.670 166 G HN 0.912 nan 8.290 nan 0.000 0.528 167 R N -2.201 118.340 120.500 0.069 0.000 2.765 167 R HA 0.540 5.052 4.340 0.287 0.000 0.277 167 R C -3.521 172.806 176.300 0.045 0.000 1.028 167 R CA -1.727 54.405 56.100 0.053 0.000 0.860 167 R CB 0.162 30.486 30.300 0.041 0.000 1.270 167 R HN 0.020 nan 8.270 nan 0.000 0.484 168 P HA 0.090 nan 4.420 nan 0.000 0.269 168 P C -0.495 176.823 177.300 0.030 0.000 1.215 168 P CA -0.185 62.937 63.100 0.038 0.000 0.780 168 P CB 0.476 32.204 31.700 0.047 0.000 0.898 169 L N 2.053 123.297 121.223 0.034 0.000 2.421 169 L HA 0.401 4.913 4.340 0.287 0.000 0.263 169 L C 0.185 177.105 176.870 0.084 0.000 1.122 169 L CA -0.507 54.361 54.840 0.047 0.000 0.804 169 L CB 0.155 42.305 42.059 0.152 0.000 1.150 169 L HN 0.175 nan 8.230 nan 0.000 0.457 170 L N 1.024 122.288 121.223 0.069 0.000 2.362 170 L HA 0.747 5.259 4.340 0.287 0.000 0.275 170 L C 0.147 177.108 176.870 0.151 0.000 0.998 170 L CA -0.326 54.589 54.840 0.125 0.000 0.820 170 L CB 1.899 44.008 42.059 0.083 0.000 1.270 170 L HN 0.682 nan 8.230 nan 0.000 0.415 171 G N 0.445 109.356 108.800 0.185 0.000 2.818 171 G HA2 0.649 4.781 3.960 0.287 0.000 0.286 171 G HA3 0.649 4.781 3.960 0.287 0.000 0.286 171 G C -1.837 173.110 174.900 0.079 0.000 1.364 171 G CA -0.592 44.586 45.100 0.130 0.000 0.938 171 G HN 0.723 nan 8.290 nan 0.000 0.490 172 C N 0.492 119.780 119.300 -0.020 0.000 3.018 172 C HA 0.605 5.237 4.460 0.287 0.000 0.413 172 C C -0.105 174.851 174.990 -0.056 0.000 1.015 172 C CA -0.554 58.467 59.018 0.005 0.000 1.233 172 C CB 0.110 27.869 27.740 0.031 0.000 1.630 172 C HN 0.891 nan 8.230 nan 0.000 0.532 173 T N 7.057 121.597 114.554 -0.023 0.000 2.851 173 T HA 0.337 4.859 4.350 0.287 0.000 0.298 173 T C 0.668 175.359 174.700 -0.015 0.000 0.977 173 T CA -0.270 61.824 62.100 -0.011 0.000 1.126 173 T CB 0.316 69.211 68.868 0.045 0.000 0.916 173 T HN 0.609 nan 8.240 nan 0.000 0.529 174 I N 3.895 124.434 120.570 -0.051 0.000 2.683 174 I HA 0.114 4.456 4.170 0.287 0.000 0.286 174 I C 0.846 176.926 176.117 -0.062 0.000 1.175 174 I CA 0.264 61.463 61.300 -0.169 0.000 1.429 174 I CB -0.338 37.273 38.000 -0.647 0.000 1.371 174 I HN 0.502 nan 8.210 nan 0.000 0.569 175 K N 6.764 127.137 120.400 -0.046 0.000 2.316 175 K HA 0.554 5.046 4.320 0.287 0.000 0.234 175 K C -2.368 174.238 176.600 0.009 0.000 1.054 175 K CA -1.617 54.678 56.287 0.013 0.000 0.879 175 K CB 0.242 32.764 32.500 0.037 0.000 1.252 175 K HN 0.326 nan 8.250 nan 0.000 0.471 176 P HA -0.215 nan 4.420 nan 0.000 0.244 176 P C 0.093 177.424 177.300 0.050 0.000 1.052 176 P CA 0.782 63.894 63.100 0.020 0.000 0.761 176 P CB 0.071 31.766 31.700 -0.009 0.000 0.616 177 K N 1.619 122.048 120.400 0.048 0.000 2.032 177 K HA -0.136 4.356 4.320 0.287 0.000 0.218 177 K C 1.200 177.855 176.600 0.091 0.000 1.054 177 K CA 1.275 57.609 56.287 0.078 0.000 0.941 177 K CB -0.139 32.389 32.500 0.047 0.000 0.720 177 K HN 0.437 nan 8.250 nan 0.000 0.449 178 L N -1.941 119.262 121.223 -0.034 0.000 2.303 178 L HA 0.404 4.916 4.340 0.287 0.000 0.266 178 L C 0.922 177.461 176.870 -0.552 0.000 1.011 178 L CA -0.263 54.428 54.840 -0.249 0.000 0.818 178 L CB 2.021 43.912 42.059 -0.280 0.000 1.326 178 L HN 0.531 nan 8.230 nan 0.000 0.435 179 G N 0.928 108.954 108.800 -1.291 0.000 2.201 179 G HA2 -0.192 3.940 3.960 0.287 0.000 0.212 179 G HA3 -0.192 3.940 3.960 0.287 0.000 0.212 179 G C -0.121 174.647 174.900 -0.220 0.000 0.994 179 G CA -0.553 43.999 45.100 -0.913 0.000 0.644 179 G HN 0.320 nan 8.290 nan 0.000 0.508 180 L N 2.462 123.695 121.223 0.016 0.000 2.397 180 L HA 0.510 5.022 4.340 0.287 0.000 0.271 180 L C 1.572 178.654 176.870 0.354 0.000 1.148 180 L CA 0.077 55.041 54.840 0.206 0.000 0.825 180 L CB 1.281 43.520 42.059 0.301 0.000 1.117 180 L HN 0.478 nan 8.230 nan 0.000 0.456 181 S N 2.002 117.843 115.700 0.236 0.000 2.600 181 S HA 0.259 4.901 4.470 0.287 0.000 0.265 181 S C 1.154 175.851 174.600 0.163 0.000 1.325 181 S CA -0.150 58.161 58.200 0.185 0.000 1.002 181 S CB 1.473 64.724 63.200 0.086 0.000 0.921 181 S HN 0.710 nan 8.310 nan 0.000 0.554 182 A N 1.700 124.581 122.820 0.101 0.000 1.873 182 A HA -0.184 4.308 4.320 0.287 0.000 0.218 182 A C 2.138 179.696 177.584 -0.044 0.000 1.193 182 A CA 2.305 54.408 52.037 0.110 0.000 0.629 182 A CB -1.207 17.921 19.000 0.214 0.000 0.826 182 A HN 1.004 nan 8.150 nan 0.000 0.447 183 K N 0.042 120.224 120.400 -0.364 0.000 2.057 183 K HA -0.114 4.378 4.320 0.287 0.000 0.206 183 K C 1.621 178.061 176.600 -0.267 0.000 1.050 183 K CA 1.931 57.770 56.287 -0.746 0.000 0.935 183 K CB -0.454 31.587 32.500 -0.765 0.000 0.715 183 K HN 0.616 nan 8.250 nan 0.000 0.439 184 N N -0.903 117.743 118.700 -0.091 0.000 2.120 184 N HA -0.155 4.757 4.740 0.287 0.000 0.188 184 N C 1.439 176.984 175.510 0.059 0.000 1.024 184 N CA 1.237 54.286 53.050 -0.001 0.000 0.852 184 N CB -0.265 38.240 38.487 0.030 0.000 1.003 184 N HN 0.122 nan 8.380 nan 0.000 0.424 185 Y N 1.284 121.590 120.300 0.011 0.000 2.102 185 Y HA -0.231 4.492 4.550 0.288 0.000 0.280 185 Y C 2.513 178.427 175.900 0.024 0.000 1.178 185 Y CA 1.850 59.978 58.100 0.048 0.000 1.146 185 Y CB -0.790 37.725 38.460 0.091 0.000 0.968 185 Y HN 0.085 nan 8.280 nan 0.000 0.504 186 G N -0.785 108.116 108.800 0.168 0.000 2.422 186 G HA2 -0.289 3.843 3.960 0.287 0.000 0.218 186 G HA3 -0.289 3.843 3.960 0.287 0.000 0.218 186 G C 1.745 176.698 174.900 0.089 0.000 1.146 186 G CA 0.881 46.056 45.100 0.124 0.000 0.769 186 G HN 0.389 nan 8.290 nan 0.000 0.547 187 R N 0.600 121.129 120.500 0.047 0.000 2.075 187 R HA 0.135 4.647 4.340 0.287 0.000 0.232 187 R C 2.746 179.097 176.300 0.085 0.000 1.126 187 R CA 1.476 57.623 56.100 0.078 0.000 0.963 187 R CB -0.484 29.836 30.300 0.034 0.000 0.858 187 R HN 0.219 nan 8.270 nan 0.000 0.435 188 A N 0.938 123.765 122.820 0.011 0.000 1.877 188 A HA -0.092 4.400 4.320 0.287 0.000 0.216 188 A C 2.324 179.893 177.584 -0.024 0.000 1.186 188 A CA 1.648 53.666 52.037 -0.032 0.000 0.620 188 A CB -0.708 18.219 19.000 -0.123 0.000 0.822 188 A HN 0.217 nan 8.150 nan 0.000 0.443 189 V N -1.037 118.870 119.914 -0.012 0.000 2.219 189 V HA -0.347 3.945 4.120 0.287 0.000 0.248 189 V C 2.383 178.520 176.094 0.072 0.000 1.053 189 V CA 2.456 64.774 62.300 0.030 0.000 1.009 189 V CB -1.196 30.629 31.823 0.004 0.000 0.636 189 V HN 0.735 nan 8.190 nan 0.000 0.445 190 Y N 1.341 121.639 120.300 -0.003 0.000 2.102 190 Y HA -0.277 4.446 4.550 0.289 0.000 0.280 190 Y C 2.602 178.505 175.900 0.006 0.000 1.178 190 Y CA 2.205 60.310 58.100 0.009 0.000 1.146 190 Y CB -0.399 38.073 38.460 0.021 0.000 0.968 190 Y HN 0.316 nan 8.280 nan 0.000 0.504 191 E N -0.387 119.644 120.200 -0.280 0.000 2.051 191 E HA -0.229 4.293 4.350 0.287 0.000 0.192 191 E C 2.508 178.960 176.600 -0.247 0.000 0.991 191 E CA 1.567 57.755 56.400 -0.354 0.000 0.799 191 E CB -1.057 28.563 29.700 -0.133 0.000 0.748 191 E HN 0.563 nan 8.360 nan 0.000 0.449 192 C N 0.787 120.006 119.300 -0.135 0.000 2.413 192 C HA -0.104 4.528 4.460 0.287 0.000 0.276 192 C C 2.913 177.845 174.990 -0.097 0.000 1.236 192 C CA 0.511 59.476 59.018 -0.090 0.000 1.735 192 C CB -1.174 26.541 27.740 -0.042 0.000 2.031 192 C HN 0.344 nan 8.230 nan 0.000 0.474 193 L N 1.019 122.189 121.223 -0.088 0.000 2.156 193 L HA -0.099 4.413 4.340 0.287 0.000 0.208 193 L C 2.822 179.627 176.870 -0.108 0.000 1.095 193 L CA 1.435 56.236 54.840 -0.066 0.000 0.770 193 L CB -0.652 41.402 42.059 -0.009 0.000 0.914 193 L HN 0.463 nan 8.230 nan 0.000 0.439 194 R N 0.321 120.695 120.500 -0.210 0.000 2.276 194 R HA -0.004 4.508 4.340 0.287 0.000 0.203 194 R C 1.680 177.897 176.300 -0.139 0.000 1.017 194 R CA 1.051 57.033 56.100 -0.197 0.000 1.010 194 R CB -0.433 29.631 30.300 -0.394 0.000 0.900 194 R HN 0.215 nan 8.270 nan 0.000 0.469 195 G N -0.416 108.303 108.800 -0.136 0.000 3.088 195 G HA2 0.307 4.439 3.960 0.287 0.000 0.217 195 G HA3 0.307 4.439 3.960 0.287 0.000 0.217 195 G C 0.778 175.629 174.900 -0.081 0.000 1.159 195 G CA 0.162 45.201 45.100 -0.102 0.000 0.760 195 G HN 0.530 nan 8.290 nan 0.000 0.550 196 G N -0.528 108.226 108.800 -0.077 0.000 2.227 196 G HA2 -0.176 3.955 3.960 0.287 0.000 0.168 196 G HA3 -0.176 3.955 3.960 0.287 0.000 0.168 196 G C 0.244 175.101 174.900 -0.072 0.000 1.006 196 G CA -0.418 44.643 45.100 -0.065 0.000 0.684 196 G HN 0.325 nan 8.290 nan 0.000 0.489 197 L N 1.481 122.661 121.223 -0.072 0.000 2.426 197 L HA 0.330 4.842 4.340 0.287 0.000 0.271 197 L C 1.153 177.955 176.870 -0.113 0.000 1.169 197 L CA -0.466 54.335 54.840 -0.065 0.000 0.836 197 L CB 0.582 42.621 42.059 -0.033 0.000 1.112 197 L HN 0.057 nan 8.230 nan 0.000 0.465 198 D N 1.765 122.051 120.400 -0.189 0.000 2.249 198 D HA 0.037 4.849 4.640 0.287 0.000 0.205 198 D C -0.155 175.858 176.300 -0.478 0.000 0.962 198 D CA 1.375 55.123 54.000 -0.419 0.000 0.860 198 D CB 0.306 40.712 40.800 -0.657 0.000 0.955 198 D HN 0.160 nan 8.370 nan 0.000 0.505 199 F N -0.006 119.932 119.950 -0.021 0.000 2.613 199 F HA 0.310 5.009 4.527 0.288 0.000 0.310 199 F C 0.540 176.210 175.800 -0.217 0.000 1.085 199 F CA -1.078 56.861 58.000 -0.101 0.000 0.945 199 F CB 1.793 40.744 39.000 -0.081 0.000 1.298 199 F HN -0.337 nan 8.300 nan 0.000 0.455 203 D N 1.525 122.049 120.400 0.207 0.000 2.423 203 D HA -0.037 4.775 4.640 0.287 0.000 0.238 203 D C 1.567 177.864 176.300 -0.005 0.000 1.142 203 D CA 0.088 54.153 54.000 0.109 0.000 0.884 203 D CB 1.175 42.067 40.800 0.153 0.000 1.199 203 D HN 0.427 nan 8.370 nan 0.000 0.438 204 E N 3.283 123.369 120.200 -0.191 0.000 2.086 204 E HA -0.292 4.230 4.350 0.287 0.000 0.200 204 E C 0.763 177.259 176.600 -0.172 0.000 1.012 204 E CA 1.484 57.652 56.400 -0.386 0.000 0.812 204 E CB -0.540 28.597 29.700 -0.939 0.000 0.743 204 E HN 0.550 nan 8.360 nan 0.000 0.453 205 N N 1.031 119.679 118.700 -0.085 0.000 2.383 205 N HA 0.004 4.916 4.740 0.287 0.000 0.192 205 N C 0.033 175.579 175.510 0.061 0.000 1.141 205 N CA 0.007 53.046 53.050 -0.018 0.000 0.851 205 N CB 0.049 38.539 38.487 0.005 0.000 0.976 205 N HN -0.018 nan 8.380 nan 0.000 0.465 206 V N 1.840 121.804 119.914 0.084 0.000 2.352 206 V HA 0.134 4.426 4.120 0.287 0.000 0.253 206 V C 0.385 176.525 176.094 0.076 0.000 1.083 206 V CA -0.123 62.250 62.300 0.122 0.000 0.993 206 V CB -0.761 31.144 31.823 0.137 0.000 1.111 206 V HN 0.321 nan 8.190 nan 0.000 0.490 207 N N 2.431 121.161 118.700 0.050 0.000 2.690 207 N HA 0.241 5.153 4.740 0.287 0.000 0.187 207 N C -0.094 175.448 175.510 0.054 0.000 1.295 207 N CA -0.364 52.711 53.050 0.040 0.000 1.100 207 N CB 0.510 38.996 38.487 -0.001 0.000 1.336 207 N HN 0.492 nan 8.380 nan 0.000 0.458 208 S N 0.165 115.872 115.700 0.012 0.000 2.647 208 S HA 0.465 5.107 4.470 0.287 0.000 0.300 208 S C -1.577 172.949 174.600 -0.124 0.000 1.129 208 S CA -0.456 57.750 58.200 0.009 0.000 1.029 208 S CB 1.219 64.543 63.200 0.206 0.000 1.007 208 S HN 0.237 nan 8.310 nan 0.000 0.484 209 Q N 3.369 122.968 119.800 -0.335 0.000 2.528 209 Q HA 0.492 5.004 4.340 0.287 0.000 0.289 209 Q C -2.098 173.654 176.000 -0.412 0.000 1.091 209 Q CA -1.804 53.751 55.803 -0.414 0.000 0.797 209 Q CB 1.308 29.662 28.738 -0.641 0.000 1.466 209 Q HN 0.260 nan 8.270 nan 0.000 0.436 210 P HA -0.192 nan 4.420 nan 0.000 0.218 210 P C 0.360 177.621 177.300 -0.065 0.000 1.146 210 P CA 1.378 64.423 63.100 -0.092 0.000 0.820 210 P CB 0.081 31.799 31.700 0.029 0.000 0.778 211 F N -3.222 116.741 119.950 0.022 0.000 2.664 211 F HA 0.356 5.055 4.527 0.286 0.000 0.296 211 F C 0.886 176.702 175.800 0.026 0.000 1.125 211 F CA -0.080 57.936 58.000 0.025 0.000 1.444 211 F CB -0.326 38.694 39.000 0.034 0.000 1.114 211 F HN -0.219 nan 8.300 nan 0.000 0.576 212 M N 1.546 120.818 119.600 -0.547 0.000 2.310 212 M HA 0.351 5.003 4.480 0.287 0.000 0.242 212 M C -1.469 174.665 176.300 -0.276 0.000 1.000 212 M CA -0.553 54.602 55.300 -0.243 0.000 0.970 212 M CB 1.052 33.615 32.600 -0.061 0.000 2.191 212 M HN -0.197 nan 8.290 nan 0.000 0.470 213 R N 3.992 124.395 120.500 -0.162 0.000 2.441 213 R HA 0.225 4.737 4.340 0.287 0.000 0.284 213 R C 1.043 177.260 176.300 -0.139 0.000 1.070 213 R CA -0.200 55.807 56.100 -0.156 0.000 1.047 213 R CB 0.517 30.705 30.300 -0.186 0.000 1.016 213 R HN 0.934 nan 8.270 nan 0.000 0.477 214 W N 4.517 125.719 121.300 -0.165 0.000 2.358 214 W HA -0.142 4.690 4.660 0.286 0.000 0.303 214 W C 1.127 177.487 176.519 -0.265 0.000 1.208 214 W CA 0.718 57.953 57.345 -0.183 0.000 1.274 214 W CB -0.465 28.823 29.460 -0.288 0.000 1.138 214 W HN 0.548 nan 8.180 nan 0.000 0.515 215 R N 1.029 120.699 120.500 -1.383 0.000 2.073 215 R HA -0.128 4.384 4.340 0.287 0.000 0.229 215 R C 1.872 177.872 176.300 -0.499 0.000 1.120 215 R CA 1.881 57.114 56.100 -1.445 0.000 0.967 215 R CB -0.444 28.699 30.300 -1.928 0.000 0.862 215 R HN -0.059 nan 8.270 nan 0.000 0.436 216 D N 0.202 120.399 120.400 -0.337 0.000 2.133 216 D HA -0.250 4.562 4.640 0.287 0.000 0.192 216 D C 1.859 178.264 176.300 0.176 0.000 1.001 216 D CA 1.315 55.288 54.000 -0.045 0.000 0.844 216 D CB -0.249 40.564 40.800 0.022 0.000 0.944 216 D HN 0.272 nan 8.370 nan 0.000 0.447 217 R N -0.422 120.193 120.500 0.191 0.000 2.066 217 R HA -0.129 4.383 4.340 0.287 0.000 0.232 217 R C 2.275 178.828 176.300 0.423 0.000 1.131 217 R CA 0.974 57.253 56.100 0.300 0.000 0.955 217 R CB -0.276 30.163 30.300 0.233 0.000 0.851 217 R HN 0.055 nan 8.270 nan 0.000 0.432 218 F N 0.905 120.976 119.950 0.201 0.000 2.134 218 F HA -0.172 4.528 4.527 0.287 0.000 0.299 218 F C 2.168 178.057 175.800 0.148 0.000 1.097 218 F CA 0.570 58.715 58.000 0.242 0.000 1.264 218 F CB -1.062 38.207 39.000 0.449 0.000 1.001 218 F HN 0.067 nan 8.300 nan 0.000 0.479 219 L N -0.453 120.987 121.223 0.363 0.000 1.963 219 L HA -0.266 4.246 4.340 0.287 0.000 0.220 219 L C 2.360 179.222 176.870 -0.014 0.000 1.076 219 L CA 1.967 56.872 54.840 0.107 0.000 0.772 219 L CB -1.406 40.607 42.059 -0.076 0.000 0.892 219 L HN 0.015 nan 8.230 nan 0.000 0.435 220 F N -1.130 118.886 119.950 0.110 0.000 2.134 220 F HA -0.215 4.484 4.527 0.286 0.000 0.299 220 F C 2.713 178.530 175.800 0.030 0.000 1.097 220 F CA 1.525 59.566 58.000 0.068 0.000 1.264 220 F CB -1.299 37.744 39.000 0.071 0.000 1.001 220 F HN 0.176 nan 8.300 nan 0.000 0.479 221 C N -0.131 119.272 119.300 0.171 0.000 2.425 221 C HA -0.141 4.491 4.460 0.287 0.000 0.277 221 C C 3.102 178.044 174.990 -0.080 0.000 1.280 221 C CA 0.756 59.748 59.018 -0.043 0.000 1.744 221 C CB -1.670 25.864 27.740 -0.343 0.000 1.989 221 C HN 0.531 nan 8.230 nan 0.000 0.491 222 A N 0.562 123.350 122.820 -0.054 0.000 1.851 222 A HA -0.275 4.217 4.320 0.287 0.000 0.216 222 A C 2.139 179.683 177.584 -0.067 0.000 1.195 222 A CA 2.103 54.045 52.037 -0.159 0.000 0.622 222 A CB -0.872 18.105 19.000 -0.039 0.000 0.831 222 A HN 0.683 nan 8.150 nan 0.000 0.444 223 E N -0.351 119.898 120.200 0.081 0.000 2.048 223 E HA -0.258 4.264 4.350 0.287 0.000 0.202 223 E C 2.242 178.899 176.600 0.094 0.000 1.021 223 E CA 1.485 57.963 56.400 0.130 0.000 0.825 223 E CB -0.330 29.442 29.700 0.119 0.000 0.756 223 E HN 0.539 nan 8.360 nan 0.000 0.454 224 A N 1.074 123.942 122.820 0.081 0.000 1.859 224 A HA -0.248 4.243 4.320 0.287 0.000 0.217 224 A C 2.252 179.903 177.584 0.112 0.000 1.198 224 A CA 2.402 54.500 52.037 0.101 0.000 0.629 224 A CB -1.034 18.041 19.000 0.126 0.000 0.830 224 A HN 0.416 nan 8.150 nan 0.000 0.446 225 L N -3.496 117.726 121.223 -0.003 0.000 2.093 225 L HA -0.060 4.452 4.340 0.287 0.000 0.208 225 L C 2.299 179.176 176.870 0.011 0.000 1.085 225 L CA 1.798 56.623 54.840 -0.025 0.000 0.755 225 L CB -1.380 40.612 42.059 -0.112 0.000 0.904 225 L HN 0.271 nan 8.230 nan 0.000 0.435 226 Y N 0.870 121.209 120.300 0.066 0.000 2.165 226 Y HA -0.174 4.548 4.550 0.286 0.000 0.286 226 Y C 2.807 178.737 175.900 0.050 0.000 1.155 226 Y CA 1.445 59.573 58.100 0.046 0.000 1.164 226 Y CB -0.747 37.727 38.460 0.023 0.000 0.978 226 Y HN 0.294 nan 8.280 nan 0.000 0.513 227 K N -0.073 120.439 120.400 0.187 0.000 2.063 227 K HA -0.186 4.306 4.320 0.287 0.000 0.208 227 K C 2.306 179.054 176.600 0.247 0.000 1.048 227 K CA 1.188 57.545 56.287 0.118 0.000 0.928 227 K CB -0.264 32.165 32.500 -0.120 0.000 0.713 227 K HN 0.254 nan 8.250 nan 0.000 0.442 228 A N 1.017 124.045 122.820 0.346 0.000 1.933 228 A HA -0.256 4.236 4.320 0.287 0.000 0.218 228 A C 2.064 179.738 177.584 0.148 0.000 1.175 228 A CA 1.758 53.953 52.037 0.262 0.000 0.628 228 A CB -0.608 18.486 19.000 0.157 0.000 0.814 228 A HN 0.536 nan 8.150 nan 0.000 0.444 229 Q N -0.519 119.365 119.800 0.139 0.000 2.050 229 Q HA -0.127 4.385 4.340 0.287 0.000 0.202 229 Q C 2.212 178.270 176.000 0.096 0.000 0.980 229 Q CA 1.764 57.631 55.803 0.107 0.000 0.840 229 Q CB -0.399 28.425 28.738 0.144 0.000 0.898 229 Q HN 0.589 nan 8.270 nan 0.000 0.424 230 A N 1.022 123.910 122.820 0.113 0.000 1.892 230 A HA -0.295 4.197 4.320 0.287 0.000 0.218 230 A C 1.950 179.581 177.584 0.079 0.000 1.188 230 A CA 1.914 54.002 52.037 0.085 0.000 0.631 230 A CB -0.870 18.180 19.000 0.083 0.000 0.822 230 A HN 0.684 nan 8.150 nan 0.000 0.447 231 E N -0.693 119.571 120.200 0.107 0.000 2.106 231 E HA -0.160 4.362 4.350 0.287 0.000 0.192 231 E C 1.969 178.608 176.600 0.064 0.000 0.984 231 E CA 1.778 58.236 56.400 0.097 0.000 0.806 231 E CB -0.111 29.682 29.700 0.154 0.000 0.750 231 E HN 0.725 nan 8.360 nan 0.000 0.458 232 T N -3.961 110.626 114.554 0.055 0.000 3.037 232 T HA 0.262 4.784 4.350 0.287 0.000 0.252 232 T C 1.549 176.263 174.700 0.023 0.000 1.073 232 T CA 0.755 62.872 62.100 0.029 0.000 1.091 232 T CB 0.505 69.379 68.868 0.010 0.000 0.935 232 T HN 0.337 nan 8.240 nan 0.000 0.488 233 G N 1.447 110.265 108.800 0.030 0.000 2.184 233 G HA2 -0.232 3.900 3.960 0.287 0.000 0.264 233 G HA3 -0.232 3.900 3.960 0.287 0.000 0.264 233 G C -0.258 174.651 174.900 0.014 0.000 0.975 233 G CA 0.322 45.437 45.100 0.024 0.000 0.642 233 G HN 0.719 nan 8.290 nan 0.000 0.536 234 E N -0.142 120.060 120.200 0.004 0.000 2.191 234 E HA 0.617 5.139 4.350 0.287 0.000 0.274 234 E C 0.467 177.057 176.600 -0.018 0.000 0.948 234 E CA -1.176 55.215 56.400 -0.015 0.000 0.802 234 E CB 1.699 31.377 29.700 -0.038 0.000 1.137 234 E HN 0.318 nan 8.360 nan 0.000 0.397 235 I N 3.099 123.654 120.570 -0.026 0.000 2.826 235 I HA -0.090 4.252 4.170 0.287 0.000 0.295 235 I C 0.442 176.524 176.117 -0.058 0.000 1.213 235 I CA 0.590 61.878 61.300 -0.019 0.000 1.436 235 I CB -0.089 37.901 38.000 -0.017 0.000 1.348 235 I HN 0.237 nan 8.210 nan 0.000 0.570 236 K N 4.843 125.236 120.400 -0.012 0.000 2.295 236 K HA 0.788 5.280 4.320 0.287 0.000 0.239 236 K C -0.076 176.563 176.600 0.065 0.000 0.991 236 K CA -0.709 55.563 56.287 -0.026 0.000 0.845 236 K CB 2.066 34.567 32.500 0.003 0.000 1.197 236 K HN 0.756 nan 8.250 nan 0.000 0.441 237 G N -0.142 108.773 108.800 0.192 0.000 2.694 237 G HA2 0.413 4.545 3.960 0.287 0.000 0.290 237 G HA3 0.413 4.545 3.960 0.287 0.000 0.290 237 G C -1.770 173.305 174.900 0.291 0.000 1.386 237 G CA -0.239 45.050 45.100 0.315 0.000 0.872 237 G HN 0.569 nan 8.290 nan 0.000 0.475 238 H N 0.224 119.346 119.070 0.086 0.000 2.782 238 H HA 0.334 5.061 4.556 0.286 0.000 0.347 238 H C -1.270 174.066 175.328 0.014 0.000 1.038 238 H CA -0.621 55.420 56.048 -0.011 0.000 1.255 238 H CB 1.428 31.173 29.762 -0.029 0.000 1.623 238 H HN 0.348 nan 8.280 nan 0.000 0.525 239 Y N 5.657 125.616 120.300 -0.570 0.000 2.624 239 Y HA 0.140 4.862 4.550 0.287 0.000 0.354 239 Y C 0.608 176.335 175.900 -0.289 0.000 1.051 239 Y CA -0.781 57.088 58.100 -0.385 0.000 1.377 239 Y CB -0.451 37.755 38.460 -0.424 0.000 1.168 239 Y HN 0.345 nan 8.280 nan 0.000 0.525 240 L N 3.997 125.178 121.223 -0.071 0.000 2.385 240 L HA 0.156 4.668 4.340 0.287 0.000 0.281 240 L C 0.648 177.457 176.870 -0.102 0.000 1.106 240 L CA 0.076 54.738 54.840 -0.298 0.000 0.856 240 L CB 0.116 41.673 42.059 -0.838 0.000 1.186 240 L HN 0.605 nan 8.230 nan 0.000 0.453 241 N N 2.072 120.812 118.700 0.067 0.000 2.431 241 N HA 0.145 5.057 4.740 0.287 0.000 0.265 241 N C 0.812 176.465 175.510 0.239 0.000 1.184 241 N CA -0.089 53.052 53.050 0.151 0.000 0.943 241 N CB 1.047 39.614 38.487 0.133 0.000 1.080 241 N HN 0.772 nan 8.380 nan 0.000 0.477 242 A N 2.783 125.710 122.820 0.179 0.000 2.208 242 A HA 0.035 4.527 4.320 0.287 0.000 0.209 242 A C 0.746 178.385 177.584 0.090 0.000 1.161 242 A CA 0.093 52.197 52.037 0.112 0.000 0.782 242 A CB -0.108 18.927 19.000 0.059 0.000 0.816 242 A HN 0.617 nan 8.150 nan 0.000 0.477 243 T N 1.477 116.111 114.554 0.133 0.000 2.946 243 T HA 0.419 4.941 4.350 0.287 0.000 0.312 243 T C 0.164 174.857 174.700 -0.011 0.000 1.066 243 T CA 0.950 63.092 62.100 0.070 0.000 1.138 243 T CB 0.626 69.455 68.868 -0.066 0.000 1.014 243 T HN 0.917 nan 8.240 nan 0.000 0.544 244 A N 1.867 124.678 122.820 -0.015 0.000 2.586 244 A HA 0.749 5.241 4.320 0.287 0.000 0.290 244 A C 1.181 178.738 177.584 -0.045 0.000 1.086 244 A CA -0.307 51.689 52.037 -0.069 0.000 0.665 244 A CB 0.528 19.450 19.000 -0.130 0.000 1.279 244 A HN 0.789 nan 8.150 nan 0.000 0.423 245 G N -0.432 108.336 108.800 -0.054 0.000 2.422 245 G HA2 0.319 4.451 3.960 0.287 0.000 0.218 245 G HA3 0.319 4.451 3.960 0.287 0.000 0.218 245 G C 0.733 175.616 174.900 -0.030 0.000 1.140 245 G CA 1.936 47.014 45.100 -0.036 0.000 0.775 245 G HN 1.750 nan 8.290 nan 0.000 0.545 246 T N -4.242 110.288 114.554 -0.041 0.000 2.906 246 T HA 0.309 4.831 4.350 0.287 0.000 0.295 246 T C 0.958 175.630 174.700 -0.047 0.000 1.075 246 T CA -0.192 61.886 62.100 -0.036 0.000 1.005 246 T CB 1.390 70.235 68.868 -0.038 0.000 1.136 246 T HN -0.045 nan 8.240 nan 0.000 0.498 247 C N 0.841 120.116 119.300 -0.041 0.000 2.413 247 C HA -0.048 4.584 4.460 0.287 0.000 0.277 247 C C 2.561 177.501 174.990 -0.082 0.000 1.265 247 C CA 1.031 60.013 59.018 -0.060 0.000 1.752 247 C CB -1.408 26.304 27.740 -0.045 0.000 1.998 247 C HN 1.002 nan 8.230 nan 0.000 0.489 248 E N 1.378 121.537 120.200 -0.068 0.000 2.106 248 E HA -0.126 4.396 4.350 0.287 0.000 0.192 248 E C 1.600 178.135 176.600 -0.108 0.000 0.984 248 E CA 1.208 57.563 56.400 -0.075 0.000 0.806 248 E CB -0.413 29.258 29.700 -0.048 0.000 0.750 248 E HN 0.557 nan 8.360 nan 0.000 0.458 249 D N 0.268 120.597 120.400 -0.119 0.000 2.097 249 D HA -0.176 4.636 4.640 0.287 0.000 0.195 249 D C 1.854 177.995 176.300 -0.266 0.000 0.989 249 D CA 1.015 54.905 54.000 -0.183 0.000 0.827 249 D CB -0.298 40.400 40.800 -0.170 0.000 0.966 249 D HN 0.163 nan 8.370 nan 0.000 0.456 250 M N -0.254 119.228 119.600 -0.197 0.000 2.080 250 M HA -0.194 4.458 4.480 0.287 0.000 0.260 250 M C 1.736 177.890 176.300 -0.243 0.000 1.068 250 M CA 1.377 56.557 55.300 -0.200 0.000 1.109 250 M CB 0.007 32.531 32.600 -0.126 0.000 1.342 250 M HN -0.083 nan 8.290 nan 0.000 0.405 251 M N 0.327 119.792 119.600 -0.226 0.000 2.213 251 M HA -0.175 4.477 4.480 0.287 0.000 0.263 251 M C 1.885 178.026 176.300 -0.264 0.000 1.062 251 M CA 1.586 56.714 55.300 -0.288 0.000 1.105 251 M CB -1.247 31.206 32.600 -0.245 0.000 1.385 251 M HN 0.320 nan 8.290 nan 0.000 0.417 252 K N -0.209 120.059 120.400 -0.220 0.000 2.147 252 K HA -0.130 4.362 4.320 0.287 0.000 0.205 252 K C 2.135 178.605 176.600 -0.216 0.000 1.049 252 K CA 1.086 57.278 56.287 -0.157 0.000 0.936 252 K CB -0.023 32.415 32.500 -0.104 0.000 0.722 252 K HN 0.392 nan 8.250 nan 0.000 0.446 253 R N 0.239 120.449 120.500 -0.483 0.000 2.062 253 R HA -0.028 4.484 4.340 0.287 0.000 0.229 253 R C 2.440 178.838 176.300 0.163 0.000 1.128 253 R CA 1.048 56.881 56.100 -0.444 0.000 0.960 253 R CB -0.397 29.523 30.300 -0.633 0.000 0.855 253 R HN 0.121 nan 8.270 nan 0.000 0.432 254 A N 1.075 123.898 122.820 0.004 0.000 1.859 254 A HA -0.182 4.310 4.320 0.287 0.000 0.217 254 A C 2.395 180.057 177.584 0.129 0.000 1.198 254 A CA 1.956 54.013 52.037 0.034 0.000 0.629 254 A CB -0.923 17.930 19.000 -0.245 0.000 0.830 254 A HN 0.125 nan 8.150 nan 0.000 0.446 255 V N -1.335 118.592 119.914 0.022 0.000 2.392 255 V HA -0.243 4.049 4.120 0.287 0.000 0.249 255 V C 2.300 178.583 176.094 0.315 0.000 1.059 255 V CA 2.188 64.600 62.300 0.186 0.000 1.051 255 V CB -0.955 30.932 31.823 0.106 0.000 0.658 255 V HN 0.599 nan 8.190 nan 0.000 0.455 256 F N 1.357 121.437 119.950 0.217 0.000 2.146 256 F HA -0.061 4.638 4.527 0.287 0.000 0.298 256 F C 2.284 178.292 175.800 0.347 0.000 1.096 256 F CA 0.995 59.167 58.000 0.288 0.000 1.275 256 F CB -0.773 38.458 39.000 0.385 0.000 1.008 256 F HN 0.076 nan 8.300 nan 0.000 0.480 257 A N 1.223 124.243 122.820 0.333 0.000 1.869 257 A HA -0.276 4.216 4.320 0.287 0.000 0.218 257 A C 2.460 180.088 177.584 0.073 0.000 1.203 257 A CA 1.987 54.121 52.037 0.163 0.000 0.638 257 A CB -1.042 18.082 19.000 0.207 0.000 0.831 257 A HN 0.341 nan 8.150 nan 0.000 0.450 258 R N 0.047 120.641 120.500 0.157 0.000 2.162 258 R HA -0.252 4.260 4.340 0.287 0.000 0.245 258 R C 2.171 178.522 176.300 0.084 0.000 1.129 258 R CA 2.480 58.667 56.100 0.146 0.000 0.940 258 R CB -0.997 29.452 30.300 0.249 0.000 0.875 258 R HN 0.814 nan 8.270 nan 0.000 0.437 259 E N 0.103 120.350 120.200 0.078 0.000 2.118 259 E HA -0.187 4.335 4.350 0.287 0.000 0.195 259 E C 2.147 178.718 176.600 -0.047 0.000 0.992 259 E CA 1.423 57.847 56.400 0.040 0.000 0.804 259 E CB -0.155 29.614 29.700 0.116 0.000 0.741 259 E HN 0.417 nan 8.360 nan 0.000 0.458 260 L N -0.662 120.455 121.223 -0.177 0.000 2.275 260 L HA 0.020 4.532 4.340 0.287 0.000 0.215 260 L C 1.864 178.777 176.870 0.071 0.000 1.119 260 L CA 0.755 55.535 54.840 -0.100 0.000 0.790 260 L CB -0.254 41.682 42.059 -0.204 0.000 0.919 260 L HN 0.465 nan 8.230 nan 0.000 0.443 261 G N -0.027 108.813 108.800 0.065 0.000 2.176 261 G HA2 -0.264 3.868 3.960 0.287 0.000 0.253 261 G HA3 -0.264 3.868 3.960 0.287 0.000 0.253 261 G C 0.439 175.432 174.900 0.155 0.000 0.979 261 G CA 0.163 45.334 45.100 0.119 0.000 0.641 261 G HN 0.291 nan 8.290 nan 0.000 0.530 262 V N -1.614 118.356 119.914 0.093 0.000 3.185 262 V HA 0.675 4.967 4.120 0.287 0.000 0.305 262 V C -0.002 176.114 176.094 0.037 0.000 1.090 262 V CA -0.529 61.790 62.300 0.032 0.000 1.107 262 V CB 1.076 32.861 31.823 -0.063 0.000 1.061 262 V HN 0.064 nan 8.190 nan 0.000 0.480 263 P HA 0.309 nan 4.420 nan 0.000 0.235 263 P C 0.036 177.336 177.300 -0.000 0.000 1.177 263 P CA 0.651 63.770 63.100 0.032 0.000 0.785 263 P CB 0.437 32.179 31.700 0.071 0.000 0.885 264 I N -0.169 120.400 120.570 -0.001 0.000 2.743 264 I HA 0.302 4.644 4.170 0.287 0.000 0.292 264 I C -1.163 174.922 176.117 -0.054 0.000 1.343 264 I CA -1.230 60.029 61.300 -0.068 0.000 1.038 264 I CB 2.413 40.326 38.000 -0.144 0.000 1.311 264 I HN -0.277 nan 8.210 nan 0.000 0.426 265 V N 4.395 124.263 119.914 -0.076 0.000 3.158 265 V HA 0.723 5.015 4.120 0.287 0.000 0.315 265 V C -0.391 175.671 176.094 -0.054 0.000 1.148 265 V CA -0.825 61.450 62.300 -0.040 0.000 1.042 265 V CB 1.888 33.724 31.823 0.022 0.000 1.101 265 V HN 0.880 nan 8.190 nan 0.000 0.448 266 M N 0.848 120.470 119.600 0.038 0.000 2.761 266 M HA 0.815 5.467 4.480 0.287 0.000 0.305 266 M C -0.909 175.492 176.300 0.168 0.000 1.235 266 M CA -0.539 54.825 55.300 0.107 0.000 0.850 266 M CB 2.003 34.746 32.600 0.237 0.000 1.744 266 M HN 0.985 nan 8.290 nan 0.000 0.480 267 H N -0.812 118.279 119.070 0.035 0.000 3.046 267 H HA 0.411 5.139 4.556 0.286 0.000 0.363 267 H C -1.998 173.363 175.328 0.056 0.000 1.203 267 H CA -0.575 55.488 56.048 0.026 0.000 1.169 267 H CB 1.814 31.576 29.762 -0.001 0.000 1.851 267 H HN 0.744 nan 8.280 nan 0.000 0.546 268 D N 4.912 124.970 120.400 -0.570 0.000 2.500 268 D HA 0.015 4.827 4.640 0.287 0.000 0.219 268 D C 0.768 176.788 176.300 -0.466 0.000 1.137 268 D CA -0.182 53.614 54.000 -0.339 0.000 0.946 268 D CB -0.184 40.462 40.800 -0.256 0.000 1.022 268 D HN 0.577 nan 8.370 nan 0.000 0.518 269 Y N 0.705 120.785 120.300 -0.367 0.000 2.207 269 Y HA -0.147 4.575 4.550 0.286 0.000 0.287 269 Y C 1.418 177.106 175.900 -0.353 0.000 1.156 269 Y CA 0.997 58.940 58.100 -0.262 0.000 1.182 269 Y CB -0.719 37.611 38.460 -0.217 0.000 0.979 269 Y HN 0.208 nan 8.280 nan 0.000 0.521 270 L N 0.357 121.159 121.223 -0.701 0.000 2.249 270 L HA -0.025 4.487 4.340 0.287 0.000 0.207 270 L C 2.538 179.219 176.870 -0.316 0.000 1.090 270 L CA 1.382 55.835 54.840 -0.645 0.000 0.802 270 L CB -0.681 40.994 42.059 -0.640 0.000 0.947 270 L HN 0.438 nan 8.230 nan 0.000 0.453 271 T N -3.731 110.674 114.554 -0.249 0.000 3.014 271 T HA 0.033 4.555 4.350 0.287 0.000 0.263 271 T C 1.902 176.521 174.700 -0.135 0.000 1.078 271 T CA 0.678 62.681 62.100 -0.162 0.000 1.135 271 T CB -0.340 68.447 68.868 -0.135 0.000 0.895 271 T HN 0.292 nan 8.240 nan 0.000 0.480 272 G N 1.657 110.349 108.800 -0.180 0.000 2.414 272 G HA2 0.406 4.538 3.960 0.287 0.000 0.215 272 G HA3 0.406 4.538 3.960 0.287 0.000 0.215 272 G C 0.875 175.780 174.900 0.009 0.000 1.188 272 G CA 0.312 45.376 45.100 -0.060 0.000 0.783 272 G HN 1.299 nan 8.290 nan 0.000 0.537 273 G N -2.214 106.562 108.800 -0.041 0.000 2.576 273 G HA2 0.018 4.150 3.960 0.287 0.000 0.686 273 G HA3 0.018 4.150 3.960 0.287 0.000 0.686 273 G C 0.086 175.006 174.900 0.033 0.000 1.242 273 G CA -0.149 44.930 45.100 -0.034 0.000 0.819 273 G HN 0.113 nan 8.290 nan 0.000 0.655 274 F N 0.652 120.668 119.950 0.110 0.000 2.216 274 F HA -0.012 4.687 4.527 0.287 0.000 0.300 274 F C 3.055 178.890 175.800 0.058 0.000 1.085 274 F CA 2.268 60.335 58.000 0.112 0.000 1.326 274 F CB -0.355 38.701 39.000 0.093 0.000 1.027 274 F HN 0.567 nan 8.300 nan 0.000 0.497 275 T N -0.253 114.431 114.554 0.216 0.000 2.643 275 T HA -0.190 4.332 4.350 0.287 0.000 0.264 275 T C 2.329 177.059 174.700 0.051 0.000 1.045 275 T CA 1.533 63.698 62.100 0.108 0.000 1.155 275 T CB -0.706 68.210 68.868 0.081 0.000 0.863 275 T HN 0.274 nan 8.240 nan 0.000 0.420 276 A N 1.819 124.667 122.820 0.048 0.000 1.933 276 A HA -0.150 4.342 4.320 0.287 0.000 0.218 276 A C 2.216 179.737 177.584 -0.105 0.000 1.175 276 A CA 1.685 53.712 52.037 -0.017 0.000 0.628 276 A CB -0.932 18.072 19.000 0.007 0.000 0.814 276 A HN 0.585 nan 8.150 nan 0.000 0.444 277 N N -0.479 118.209 118.700 -0.021 0.000 2.037 277 N HA -0.194 4.718 4.740 0.287 0.000 0.196 277 N C 1.695 177.126 175.510 -0.131 0.000 1.034 277 N CA 2.339 55.329 53.050 -0.100 0.000 0.861 277 N CB -0.212 38.349 38.487 0.125 0.000 1.039 277 N HN 0.462 nan 8.380 nan 0.000 0.427 278 T N 0.043 114.547 114.554 -0.084 0.000 2.684 278 T HA -0.117 4.405 4.350 0.287 0.000 0.267 278 T C 1.886 176.328 174.700 -0.429 0.000 1.036 278 T CA 1.845 63.804 62.100 -0.234 0.000 1.148 278 T CB -0.759 67.991 68.868 -0.197 0.000 0.863 278 T HN 0.354 nan 8.240 nan 0.000 0.436 279 T N 2.259 116.671 114.554 -0.237 0.000 2.635 279 T HA -0.108 4.414 4.350 0.287 0.000 0.267 279 T C 1.870 176.519 174.700 -0.086 0.000 1.040 279 T CA 1.242 63.259 62.100 -0.138 0.000 1.156 279 T CB -0.526 68.296 68.868 -0.077 0.000 0.863 279 T HN 0.135 nan 8.240 nan 0.000 0.430 280 L N 0.833 121.970 121.223 -0.143 0.000 2.141 280 L HA 0.092 4.604 4.340 0.287 0.000 0.209 280 L C 2.585 179.449 176.870 -0.009 0.000 1.094 280 L CA 1.637 56.418 54.840 -0.098 0.000 0.763 280 L CB -0.934 40.966 42.059 -0.266 0.000 0.908 280 L HN 0.181 nan 8.230 nan 0.000 0.437 281 S N -1.453 114.206 115.700 -0.069 0.000 2.382 281 S HA -0.231 4.411 4.470 0.287 0.000 0.228 281 S C 2.054 176.746 174.600 0.154 0.000 1.027 281 S CA 1.228 59.436 58.200 0.013 0.000 0.991 281 S CB -0.398 62.786 63.200 -0.027 0.000 0.823 281 S HN 0.663 nan 8.310 nan 0.000 0.469 282 H N -0.681 118.399 119.070 0.016 0.000 2.353 282 H HA -0.050 4.678 4.556 0.286 0.000 0.300 282 H C 1.763 177.108 175.328 0.028 0.000 1.090 282 H CA 1.735 57.790 56.048 0.011 0.000 1.327 282 H CB -1.008 28.765 29.762 0.019 0.000 1.383 282 H HN 0.653 nan 8.280 nan 0.000 0.508 283 Y N 0.443 120.801 120.300 0.098 0.000 2.314 283 Y HA -0.164 4.558 4.550 0.286 0.000 0.293 283 Y C 2.347 178.274 175.900 0.045 0.000 1.129 283 Y CA 1.015 59.146 58.100 0.051 0.000 1.201 283 Y CB -0.325 38.151 38.460 0.027 0.000 0.999 283 Y HN 0.162 nan 8.280 nan 0.000 0.541 284 C N 0.005 119.386 119.300 0.135 0.000 2.466 284 C HA -0.061 4.571 4.460 0.287 0.000 0.278 284 C C 2.648 177.637 174.990 -0.000 0.000 1.288 284 C CA 1.053 60.114 59.018 0.072 0.000 1.722 284 C CB -1.220 26.600 27.740 0.133 0.000 2.017 284 C HN 0.531 nan 8.230 nan 0.000 0.488 285 R N 2.161 122.625 120.500 -0.060 0.000 2.096 285 R HA -0.140 4.372 4.340 0.287 0.000 0.240 285 R C 1.434 177.662 176.300 -0.120 0.000 1.139 285 R CA 2.132 58.138 56.100 -0.158 0.000 0.952 285 R CB -0.960 29.247 30.300 -0.155 0.000 0.854 285 R HN 0.454 nan 8.270 nan 0.000 0.436 286 D N -0.430 119.885 120.400 -0.142 0.000 2.309 286 D HA -0.098 4.714 4.640 0.287 0.000 0.212 286 D C 0.556 176.735 176.300 -0.203 0.000 0.968 286 D CA 0.980 54.879 54.000 -0.168 0.000 0.882 286 D CB -0.023 40.664 40.800 -0.188 0.000 0.918 286 D HN 0.393 nan 8.370 nan 0.000 0.503 287 N N -1.268 117.290 118.700 -0.237 0.000 2.118 287 N HA 0.104 5.016 4.740 0.287 0.000 0.226 287 N C 0.921 176.400 175.510 -0.052 0.000 1.305 287 N CA 0.552 53.462 53.050 -0.234 0.000 0.890 287 N CB 1.933 40.099 38.487 -0.535 0.000 1.118 287 N HN 0.102 nan 8.380 nan 0.000 0.511 288 G N 1.820 110.662 108.800 0.070 0.000 2.176 288 G HA2 -0.260 3.872 3.960 0.287 0.000 0.252 288 G HA3 -0.260 3.872 3.960 0.287 0.000 0.252 288 G C -0.153 174.779 174.900 0.054 0.000 1.024 288 G CA 0.132 45.329 45.100 0.162 0.000 0.755 288 G HN 0.213 nan 8.290 nan 0.000 0.507 289 L N -0.024 121.271 121.223 0.120 0.000 2.312 289 L HA 0.554 5.066 4.340 0.287 0.000 0.281 289 L C 1.243 178.150 176.870 0.063 0.000 1.070 289 L CA -1.015 53.857 54.840 0.053 0.000 0.805 289 L CB 1.185 43.304 42.059 0.101 0.000 1.174 289 L HN 0.057 nan 8.230 nan 0.000 0.434 290 L N 3.274 124.463 121.223 -0.057 0.000 2.436 290 L HA 0.245 4.757 4.340 0.287 0.000 0.265 290 L C -0.431 176.373 176.870 -0.110 0.000 1.168 290 L CA -0.312 54.484 54.840 -0.073 0.000 0.815 290 L CB 1.034 42.982 42.059 -0.184 0.000 1.109 290 L HN 0.384 nan 8.230 nan 0.000 0.462 291 L N 2.274 123.413 121.223 -0.141 0.000 2.415 291 L HA 0.322 4.834 4.340 0.287 0.000 0.268 291 L C -0.715 176.000 176.870 -0.259 0.000 0.984 291 L CA -0.245 54.508 54.840 -0.146 0.000 0.853 291 L CB 1.041 43.073 42.059 -0.045 0.000 1.215 291 L HN 0.465 nan 8.230 nan 0.000 0.419 292 H N 5.518 124.305 119.070 -0.471 0.000 2.604 292 H HA 0.541 5.269 4.556 0.287 0.000 0.306 292 H C -0.762 174.456 175.328 -0.184 0.000 1.075 292 H CA -0.555 55.183 56.048 -0.517 0.000 1.357 292 H CB 0.684 29.807 29.762 -1.066 0.000 1.426 292 H HN 0.508 nan 8.280 nan 0.000 0.470 293 I N 5.767 125.988 120.570 -0.582 0.000 2.331 293 I HA 0.096 4.438 4.170 0.287 0.000 0.292 293 I C 0.353 176.256 176.117 -0.356 0.000 0.998 293 I CA -0.270 60.820 61.300 -0.349 0.000 1.267 293 I CB 0.773 38.579 38.000 -0.324 0.000 1.386 293 I HN 0.724 nan 8.210 nan 0.000 0.476 294 H N 7.555 126.492 119.070 -0.221 0.000 2.473 294 H HA 0.310 5.037 4.556 0.286 0.000 0.327 294 H C 0.306 175.581 175.328 -0.089 0.000 1.105 294 H CA -0.453 55.429 56.048 -0.276 0.000 1.280 294 H CB 1.380 31.027 29.762 -0.191 0.000 1.450 294 H HN 0.587 nan 8.280 nan 0.000 0.492 295 R N 3.089 123.358 120.500 -0.386 0.000 2.609 295 R HA 0.432 4.944 4.340 0.287 0.000 0.326 295 R C -0.055 176.309 176.300 0.106 0.000 1.090 295 R CA -0.529 55.586 56.100 0.026 0.000 1.072 295 R CB 0.098 30.390 30.300 -0.013 0.000 1.330 295 R HN 0.353 nan 8.270 nan 0.000 0.572 296 A N 1.467 124.436 122.820 0.248 0.000 2.584 296 A HA 0.082 4.574 4.320 0.287 0.000 0.239 296 A C 0.934 178.531 177.584 0.023 0.000 1.043 296 A CA 0.885 53.047 52.037 0.208 0.000 0.756 296 A CB -0.170 18.926 19.000 0.161 0.000 0.963 296 A HN 0.867 nan 8.150 nan 0.000 0.511 297 M N 0.248 119.832 119.600 -0.027 0.000 2.995 297 M HA -0.305 4.347 4.480 0.287 0.000 0.207 297 M C 1.035 177.267 176.300 -0.113 0.000 0.593 297 M CA 1.899 57.145 55.300 -0.090 0.000 0.791 297 M CB -1.978 30.561 32.600 -0.101 0.000 2.827 297 M HN 1.255 nan 8.290 nan 0.000 0.293 298 H N -0.817 118.195 119.070 -0.097 0.000 2.352 298 H HA 0.226 4.954 4.556 0.286 0.000 0.299 298 H C 1.779 177.068 175.328 -0.065 0.000 1.097 298 H CA 2.016 58.026 56.048 -0.063 0.000 1.311 298 H CB -0.674 29.087 29.762 -0.002 0.000 1.377 298 H HN 0.488 nan 8.280 nan 0.000 0.504 299 A N 1.223 123.468 122.820 -0.958 0.000 2.070 299 A HA -0.083 4.409 4.320 0.287 0.000 0.220 299 A C 2.537 179.964 177.584 -0.261 0.000 1.159 299 A CA 1.368 53.049 52.037 -0.594 0.000 0.656 299 A CB -0.925 17.688 19.000 -0.646 0.000 0.800 299 A HN 0.374 nan 8.150 nan 0.000 0.453 300 V N -0.438 119.356 119.914 -0.200 0.000 2.469 300 V HA -0.256 4.036 4.120 0.287 0.000 0.251 300 V C 2.229 178.278 176.094 -0.074 0.000 1.064 300 V CA 2.178 64.410 62.300 -0.114 0.000 1.066 300 V CB -0.502 31.266 31.823 -0.093 0.000 0.667 300 V HN 0.616 nan 8.190 nan 0.000 0.461 301 I N 0.415 120.941 120.570 -0.073 0.000 3.081 301 I HA -0.018 4.324 4.170 0.287 0.000 0.274 301 I C 1.579 177.681 176.117 -0.025 0.000 1.178 301 I CA 0.993 62.264 61.300 -0.048 0.000 1.460 301 I CB 0.059 38.023 38.000 -0.060 0.000 1.137 301 I HN 0.476 nan 8.210 nan 0.000 0.443 302 D N -0.866 119.515 120.400 -0.032 0.000 2.469 302 D HA -0.016 4.796 4.640 0.287 0.000 0.215 302 D C 1.801 178.078 176.300 -0.038 0.000 1.154 302 D CA -0.042 53.943 54.000 -0.024 0.000 0.832 302 D CB 0.085 40.905 40.800 0.033 0.000 1.008 302 D HN -0.108 nan 8.370 nan 0.000 0.506 303 R N 0.290 120.768 120.500 -0.037 0.000 2.062 303 R HA 0.105 4.617 4.340 0.287 0.000 0.226 303 R C 0.373 176.686 176.300 0.021 0.000 1.125 303 R CA 1.172 57.256 56.100 -0.026 0.000 0.966 303 R CB -0.264 30.006 30.300 -0.050 0.000 0.861 303 R HN 0.035 nan 8.270 nan 0.000 0.433 304 Q N 0.834 120.660 119.800 0.043 0.000 2.261 304 Q HA 0.059 4.571 4.340 0.287 0.000 0.252 304 Q C 0.339 176.399 176.000 0.101 0.000 0.915 304 Q CA 0.086 55.931 55.803 0.071 0.000 0.915 304 Q CB 1.519 30.305 28.738 0.081 0.000 1.204 304 Q HN 0.153 nan 8.270 nan 0.000 0.421 305 K N 2.658 123.119 120.400 0.102 0.000 2.113 305 K HA -0.208 4.284 4.320 0.287 0.000 0.208 305 K C 1.188 177.853 176.600 0.108 0.000 1.047 305 K CA 1.857 58.212 56.287 0.113 0.000 0.928 305 K CB 0.286 32.843 32.500 0.095 0.000 0.716 305 K HN 0.619 nan 8.250 nan 0.000 0.446 306 N N -0.990 117.777 118.700 0.111 0.000 2.405 306 N HA -0.106 4.805 4.740 0.287 0.000 0.175 306 N C -0.342 175.274 175.510 0.177 0.000 1.051 306 N CA 0.659 53.778 53.050 0.115 0.000 0.899 306 N CB 0.137 38.682 38.487 0.097 0.000 1.000 306 N HN 0.242 nan 8.380 nan 0.000 0.451 307 H N -1.253 117.874 119.070 0.096 0.000 3.083 307 H HA 0.551 5.279 4.556 0.286 0.000 0.339 307 H C -0.038 175.381 175.328 0.152 0.000 1.020 307 H CA 0.277 56.410 56.048 0.142 0.000 1.360 307 H CB 1.154 30.985 29.762 0.116 0.000 1.811 307 H HN 0.313 nan 8.280 nan 0.000 0.493 308 G N 2.877 111.673 108.800 -0.007 0.000 2.384 308 G HA2 0.078 4.210 3.960 0.287 0.000 0.150 308 G HA3 0.078 4.210 3.960 0.287 0.000 0.150 308 G C -1.568 173.358 174.900 0.042 0.000 1.269 308 G CA -0.388 44.723 45.100 0.019 0.000 1.094 308 G HN 0.586 nan 8.290 nan 0.000 0.467 309 M N 0.921 120.515 119.600 -0.010 0.000 2.271 309 M HA 0.362 5.014 4.480 0.287 0.000 0.285 309 M C -0.502 175.815 176.300 0.027 0.000 1.059 309 M CA -0.761 54.528 55.300 -0.018 0.000 0.940 309 M CB 2.358 34.868 32.600 -0.150 0.000 1.636 309 M HN 0.709 nan 8.290 nan 0.000 0.460 310 H N 1.808 120.890 119.070 0.021 0.000 2.852 310 H HA 0.013 4.741 4.556 0.286 0.000 0.362 310 H C 0.156 175.524 175.328 0.067 0.000 1.122 310 H CA 1.161 57.252 56.048 0.072 0.000 1.419 310 H CB 0.861 30.665 29.762 0.070 0.000 1.401 310 H HN 0.776 nan 8.280 nan 0.000 0.609 311 F N 4.550 124.198 119.950 -0.502 0.000 2.365 311 F HA -0.130 4.569 4.527 0.287 0.000 0.300 311 F C 2.521 178.220 175.800 -0.169 0.000 1.090 311 F CA 1.172 58.986 58.000 -0.310 0.000 1.408 311 F CB -0.087 38.610 39.000 -0.505 0.000 1.060 311 F HN 0.615 nan 8.300 nan 0.000 0.534 312 R N -0.271 120.245 120.500 0.028 0.000 2.115 312 R HA -0.083 4.429 4.340 0.287 0.000 0.230 312 R C 1.780 178.034 176.300 -0.077 0.000 1.111 312 R CA 1.782 57.857 56.100 -0.042 0.000 0.976 312 R CB -1.382 29.077 30.300 0.265 0.000 0.870 312 R HN 0.275 nan 8.270 nan 0.000 0.445 313 V N 2.341 122.256 119.914 0.002 0.000 2.295 313 V HA -0.227 4.065 4.120 0.287 0.000 0.246 313 V C 2.569 178.707 176.094 0.075 0.000 1.049 313 V CA 1.788 64.117 62.300 0.049 0.000 1.024 313 V CB -0.499 31.356 31.823 0.054 0.000 0.648 313 V HN 0.292 nan 8.190 nan 0.000 0.447 314 L N 0.101 121.314 121.223 -0.016 0.000 2.127 314 L HA -0.165 4.347 4.340 0.287 0.000 0.211 314 L C 2.655 179.500 176.870 -0.041 0.000 1.089 314 L CA 1.546 56.458 54.840 0.120 0.000 0.757 314 L CB -0.831 41.288 42.059 0.099 0.000 0.899 314 L HN 0.384 nan 8.230 nan 0.000 0.434 315 A N -0.028 122.497 122.820 -0.491 0.000 1.930 315 A HA -0.133 4.359 4.320 0.287 0.000 0.215 315 A C 2.358 179.854 177.584 -0.147 0.000 1.176 315 A CA 1.089 52.862 52.037 -0.441 0.000 0.632 315 A CB -0.186 18.441 19.000 -0.621 0.000 0.819 315 A HN 0.257 nan 8.150 nan 0.000 0.445 316 K N -0.170 120.208 120.400 -0.036 0.000 2.026 316 K HA -0.053 4.439 4.320 0.287 0.000 0.208 316 K C 2.279 178.905 176.600 0.044 0.000 1.048 316 K CA 1.145 57.515 56.287 0.139 0.000 0.929 316 K CB -0.316 32.294 32.500 0.183 0.000 0.713 316 K HN 0.409 nan 8.250 nan 0.000 0.439 317 A N 1.854 124.666 122.820 -0.013 0.000 1.972 317 A HA -0.143 4.349 4.320 0.287 0.000 0.219 317 A C 2.018 179.613 177.584 0.018 0.000 1.169 317 A CA 0.979 52.926 52.037 -0.149 0.000 0.635 317 A CB -0.500 18.317 19.000 -0.306 0.000 0.810 317 A HN 0.251 nan 8.150 nan 0.000 0.446 318 L N -0.376 120.885 121.223 0.064 0.000 2.027 318 L HA -0.125 4.387 4.340 0.287 0.000 0.206 318 L C 2.463 179.251 176.870 -0.137 0.000 1.074 318 L CA 2.342 57.123 54.840 -0.100 0.000 0.745 318 L CB -0.839 40.946 42.059 -0.457 0.000 0.898 318 L HN 0.525 nan 8.230 nan 0.000 0.433 319 R N -0.379 120.022 120.500 -0.163 0.000 2.105 319 R HA -0.173 4.339 4.340 0.287 0.000 0.239 319 R C 2.388 178.596 176.300 -0.152 0.000 1.135 319 R CA 1.415 57.379 56.100 -0.227 0.000 0.967 319 R CB -0.113 29.915 30.300 -0.454 0.000 0.861 319 R HN 0.417 nan 8.270 nan 0.000 0.442 320 L N -0.777 120.355 121.223 -0.153 0.000 1.988 320 L HA -0.142 4.370 4.340 0.287 0.000 0.207 320 L C 2.608 179.471 176.870 -0.010 0.000 1.071 320 L CA 1.501 56.168 54.840 -0.289 0.000 0.744 320 L CB -0.773 40.736 42.059 -0.916 0.000 0.893 320 L HN 0.261 nan 8.230 nan 0.000 0.433 321 S N -0.752 114.971 115.700 0.038 0.000 2.359 321 S HA -0.049 4.593 4.470 0.287 0.000 0.223 321 S C 0.854 175.496 174.600 0.071 0.000 1.039 321 S CA 1.309 59.597 58.200 0.148 0.000 1.042 321 S CB -0.324 63.008 63.200 0.220 0.000 0.915 321 S HN 0.642 nan 8.310 nan 0.000 0.439 322 G N -1.637 107.164 108.800 0.002 0.000 2.873 322 G HA2 0.414 4.546 3.960 0.287 0.000 0.507 322 G HA3 0.414 4.546 3.960 0.287 0.000 0.507 322 G C -0.425 174.426 174.900 -0.082 0.000 1.440 322 G CA -0.391 44.691 45.100 -0.030 0.000 1.016 322 G HN 0.906 nan 8.290 nan 0.000 0.615 323 G N 0.629 109.364 108.800 -0.108 0.000 2.753 323 G HA2 0.578 4.710 3.960 0.287 0.000 0.295 323 G HA3 0.578 4.710 3.960 0.287 0.000 0.295 323 G C 0.101 174.953 174.900 -0.080 0.000 1.437 323 G CA -0.105 44.921 45.100 -0.123 0.000 1.094 323 G HN 0.344 nan 8.290 nan 0.000 0.540 324 D N 0.264 120.638 120.400 -0.044 0.000 2.219 324 D HA -0.006 4.805 4.640 0.287 0.000 0.205 324 D C 0.373 176.765 176.300 0.153 0.000 0.970 324 D CA 1.306 55.330 54.000 0.040 0.000 0.851 324 D CB 0.247 41.076 40.800 0.048 0.000 0.943 324 D HN 0.568 nan 8.370 nan 0.000 0.488 325 H N -0.998 117.969 119.070 -0.172 0.000 2.717 325 H HA 0.566 5.294 4.556 0.287 0.000 0.366 325 H C -0.684 174.483 175.328 -0.269 0.000 1.132 325 H CA -0.760 55.170 56.048 -0.196 0.000 1.180 325 H CB 2.864 32.508 29.762 -0.198 0.000 1.678 325 H HN -0.127 nan 8.280 nan 0.000 0.537 326 I N 2.106 122.621 120.570 -0.092 0.000 2.722 326 I HA 0.149 4.491 4.170 0.287 0.000 0.295 326 I C -0.225 175.884 176.117 -0.014 0.000 1.161 326 I CA -0.616 60.623 61.300 -0.101 0.000 1.032 326 I CB 2.047 39.983 38.000 -0.106 0.000 1.244 326 I HN 0.671 nan 8.210 nan 0.000 0.421 327 H N 4.426 123.375 119.070 -0.202 0.000 2.972 327 H HA 0.040 4.768 4.556 0.287 0.000 0.343 327 H C 0.431 175.677 175.328 -0.138 0.000 1.054 327 H CA 0.755 56.689 56.048 -0.190 0.000 1.412 327 H CB 0.874 30.452 29.762 -0.306 0.000 1.385 327 H HN 0.619 nan 8.280 nan 0.000 0.600 328 S N 1.323 117.014 115.700 -0.017 0.000 2.893 328 S HA 0.309 4.951 4.470 0.287 0.000 0.258 328 S C 0.760 175.490 174.600 0.217 0.000 1.034 328 S CA 0.109 58.435 58.200 0.210 0.000 1.167 328 S CB 0.926 64.357 63.200 0.385 0.000 1.137 328 S HN 1.154 nan 8.310 nan 0.000 0.650 329 G N 1.296 110.101 108.800 0.008 0.000 2.756 329 G HA2 -0.064 4.068 3.960 0.287 0.000 0.678 329 G HA3 -0.064 4.068 3.960 0.287 0.000 0.678 329 G C 0.279 175.239 174.900 0.100 0.000 1.349 329 G CA 0.331 45.455 45.100 0.041 0.000 0.847 329 G HN 1.210 nan 8.290 nan 0.000 0.548 330 T N -3.777 110.818 114.554 0.068 0.000 2.958 330 T HA 0.477 4.999 4.350 0.287 0.000 0.256 330 T C 1.719 176.483 174.700 0.105 0.000 0.983 330 T CA 1.367 63.523 62.100 0.094 0.000 0.924 330 T CB 0.461 69.258 68.868 -0.119 0.000 1.136 330 T HN 2.325 nan 8.240 nan 0.000 0.506 331 V N 0.797 120.736 119.914 0.041 0.000 0.508 331 V HA -0.332 3.960 4.120 0.287 0.000 0.092 331 V C 2.068 178.159 176.094 -0.006 0.000 2.282 331 V CA 1.872 64.179 62.300 0.010 0.000 3.591 331 V CB -2.009 29.802 31.823 -0.019 0.000 0.878 331 V HN 0.767 nan 8.190 nan 0.000 0.919 332 V N -0.480 119.408 119.914 -0.044 0.000 3.541 332 V HA 0.617 4.909 4.120 0.287 0.000 0.267 332 V C 1.175 177.153 176.094 -0.194 0.000 1.213 332 V CA 1.762 64.019 62.300 -0.072 0.000 1.149 332 V CB -0.159 31.631 31.823 -0.054 0.000 0.822 332 V HN 1.021 nan 8.190 nan 0.000 0.462 333 G N 1.129 109.776 108.800 -0.256 0.000 2.782 333 G HA2 0.337 4.468 3.960 0.287 0.000 0.201 333 G HA3 0.337 4.468 3.960 0.287 0.000 0.201 333 G C 0.640 175.202 174.900 -0.564 0.000 1.374 333 G CA -0.022 44.809 45.100 -0.449 0.000 1.039 333 G HN 0.450 nan 8.290 nan 0.000 0.576 334 K N -1.121 118.748 120.400 -0.884 0.000 2.365 334 K HA 0.220 4.712 4.320 0.287 0.000 0.197 334 K C 0.280 176.704 176.600 -0.292 0.000 1.042 334 K CA 0.268 56.047 56.287 -0.846 0.000 0.987 334 K CB -0.186 31.810 32.500 -0.841 0.000 0.779 334 K HN 0.197 nan 8.250 nan 0.000 0.484 335 L N 1.633 122.724 121.223 -0.221 0.000 2.334 335 L HA 0.323 4.834 4.340 0.287 0.000 0.270 335 L C 0.025 176.867 176.870 -0.046 0.000 1.018 335 L CA -1.013 53.764 54.840 -0.105 0.000 0.811 335 L CB 1.632 43.641 42.059 -0.082 0.000 1.271 335 L HN 0.103 nan 8.230 nan 0.000 0.443 336 E N 0.457 120.650 120.200 -0.012 0.000 2.366 336 E HA 0.523 5.045 4.350 0.287 0.000 0.266 336 E C -0.474 176.158 176.600 0.053 0.000 1.051 336 E CA -0.261 56.157 56.400 0.029 0.000 0.884 336 E CB 1.072 30.792 29.700 0.033 0.000 1.006 336 E HN 0.738 nan 8.360 nan 0.000 0.417 337 G N 3.971 112.815 108.800 0.073 0.000 1.974 337 G HA2 0.015 4.147 3.960 0.287 0.000 0.303 337 G HA3 0.015 4.147 3.960 0.287 0.000 0.303 337 G C -1.149 173.792 174.900 0.069 0.000 2.080 337 G CA -0.708 44.451 45.100 0.099 0.000 0.896 337 G HN 0.393 nan 8.290 nan 0.000 0.514 338 E N 1.791 122.041 120.200 0.084 0.000 2.324 338 E HA 0.121 4.643 4.350 0.287 0.000 0.271 338 E C 1.504 178.096 176.600 -0.014 0.000 1.028 338 E CA -0.487 55.940 56.400 0.046 0.000 0.890 338 E CB 1.874 31.614 29.700 0.067 0.000 1.004 338 E HN 0.675 nan 8.360 nan 0.000 0.431 339 R N 2.881 123.354 120.500 -0.045 0.000 2.162 339 R HA -0.262 4.250 4.340 0.287 0.000 0.245 339 R C 0.904 177.127 176.300 -0.127 0.000 1.129 339 R CA 2.339 58.377 56.100 -0.104 0.000 0.940 339 R CB 0.092 30.344 30.300 -0.080 0.000 0.875 339 R HN 0.435 nan 8.270 nan 0.000 0.437 340 D N -0.110 120.242 120.400 -0.080 0.000 2.117 340 D HA -0.116 4.696 4.640 0.287 0.000 0.197 340 D C 1.929 178.173 176.300 -0.094 0.000 0.987 340 D CA 1.238 55.189 54.000 -0.082 0.000 0.829 340 D CB -0.146 40.625 40.800 -0.049 0.000 0.961 340 D HN 0.356 nan 8.370 nan 0.000 0.460 341 I N 0.522 121.061 120.570 -0.052 0.000 2.286 341 I HA -0.224 4.118 4.170 0.287 0.000 0.248 341 I C 2.160 178.134 176.117 -0.237 0.000 1.115 341 I CA 0.972 62.270 61.300 -0.004 0.000 1.392 341 I CB -0.127 37.973 38.000 0.167 0.000 1.065 341 I HN -0.013 nan 8.210 nan 0.000 0.418 342 T N 1.047 115.369 114.554 -0.386 0.000 2.809 342 T HA -0.026 4.496 4.350 0.287 0.000 0.260 342 T C 1.962 176.249 174.700 -0.687 0.000 1.039 342 T CA 0.933 62.541 62.100 -0.820 0.000 1.141 342 T CB -0.253 68.361 68.868 -0.422 0.000 0.869 342 T HN 0.197 nan 8.240 nan 0.000 0.437 343 L N 0.930 121.913 121.223 -0.399 0.000 2.051 343 L HA -0.132 4.380 4.340 0.287 0.000 0.214 343 L C 2.900 179.641 176.870 -0.215 0.000 1.076 343 L CA 1.493 56.160 54.840 -0.288 0.000 0.758 343 L CB -1.292 40.647 42.059 -0.200 0.000 0.890 343 L HN 0.368 nan 8.230 nan 0.000 0.433 344 G N 1.352 110.035 108.800 -0.196 0.000 2.628 344 G HA2 -0.357 3.775 3.960 0.287 0.000 0.217 344 G HA3 -0.357 3.775 3.960 0.287 0.000 0.217 344 G C 1.231 176.141 174.900 0.018 0.000 1.240 344 G CA 1.376 46.434 45.100 -0.071 0.000 0.792 344 G HN 0.493 nan 8.290 nan 0.000 0.593 345 F N 0.277 120.294 119.950 0.112 0.000 2.456 345 F HA 0.272 4.971 4.527 0.287 0.000 0.298 345 F C 2.314 178.184 175.800 0.118 0.000 1.104 345 F CA 0.175 58.257 58.000 0.137 0.000 1.435 345 F CB -1.002 38.121 39.000 0.205 0.000 1.078 345 F HN 0.025 nan 8.300 nan 0.000 0.546 346 V N 1.452 121.418 119.914 0.088 0.000 2.287 346 V HA -0.285 4.007 4.120 0.287 0.000 0.248 346 V C 2.213 178.366 176.094 0.099 0.000 1.053 346 V CA 2.483 64.865 62.300 0.136 0.000 1.027 346 V CB -0.645 31.199 31.823 0.034 0.000 0.646 346 V HN 0.249 nan 8.190 nan 0.000 0.447 347 D N -0.120 120.312 120.400 0.054 0.000 2.123 347 D HA -0.167 4.645 4.640 0.287 0.000 0.196 347 D C 2.092 178.454 176.300 0.103 0.000 0.992 347 D CA 1.327 55.363 54.000 0.059 0.000 0.833 347 D CB -0.332 40.489 40.800 0.037 0.000 0.954 347 D HN 0.354 nan 8.370 nan 0.000 0.455 348 L N 0.032 121.353 121.223 0.163 0.000 2.079 348 L HA -0.158 4.354 4.340 0.287 0.000 0.210 348 L C 2.477 179.406 176.870 0.097 0.000 1.081 348 L CA 0.624 55.611 54.840 0.246 0.000 0.752 348 L CB -0.285 41.951 42.059 0.296 0.000 0.896 348 L HN 0.068 nan 8.230 nan 0.000 0.433 349 L N -0.970 120.281 121.223 0.046 0.000 2.109 349 L HA -0.115 4.397 4.340 0.287 0.000 0.207 349 L C 2.601 179.359 176.870 -0.187 0.000 1.086 349 L CA 1.149 55.932 54.840 -0.096 0.000 0.760 349 L CB -0.243 41.827 42.059 0.019 0.000 0.910 349 L HN 0.180 nan 8.230 nan 0.000 0.437 350 R N -1.284 119.156 120.500 -0.099 0.000 2.254 350 R HA 0.117 4.629 4.340 0.287 0.000 0.193 350 R C -0.190 176.058 176.300 -0.087 0.000 0.929 350 R CA 0.001 56.047 56.100 -0.090 0.000 1.038 350 R CB 0.366 30.658 30.300 -0.013 0.000 1.009 350 R HN 0.226 nan 8.270 nan 0.000 0.512 351 D N -0.111 120.261 120.400 -0.047 0.000 2.385 351 D HA 0.045 4.857 4.640 0.287 0.000 0.254 351 D C 0.103 176.465 176.300 0.103 0.000 1.053 351 D CA -0.313 53.714 54.000 0.045 0.000 0.992 351 D CB 1.445 42.305 40.800 0.099 0.000 1.145 351 D HN -0.180 nan 8.370 nan 0.000 0.523 352 D N -1.377 119.140 120.400 0.194 0.000 2.271 352 D HA -0.067 4.745 4.640 0.287 0.000 0.206 352 D C -0.596 175.981 176.300 0.462 0.000 0.967 352 D CA 0.546 54.736 54.000 0.316 0.000 0.867 352 D CB 0.322 41.247 40.800 0.209 0.000 0.960 352 D HN 0.255 nan 8.370 nan 0.000 0.509 353 Y N -0.356 120.075 120.300 0.219 0.000 2.442 353 Y HA 0.512 5.234 4.550 0.286 0.000 0.344 353 Y C -1.428 174.564 175.900 0.153 0.000 0.976 353 Y CA -0.803 57.391 58.100 0.156 0.000 1.040 353 Y CB 2.169 40.684 38.460 0.092 0.000 1.228 353 Y HN -0.313 nan 8.280 nan 0.000 0.451 354 T N 5.508 119.827 114.554 -0.392 0.000 3.143 354 T HA 0.188 4.710 4.350 0.287 0.000 0.312 354 T C -1.033 173.359 174.700 -0.513 0.000 0.986 354 T CA -0.755 61.170 62.100 -0.291 0.000 1.024 354 T CB 1.171 70.024 68.868 -0.025 0.000 1.030 354 T HN 0.699 nan 8.240 nan 0.000 0.448 355 E N 2.334 122.252 120.200 -0.469 0.000 2.390 355 E HA 0.196 4.718 4.350 0.287 0.000 0.261 355 E C 0.311 176.824 176.600 -0.144 0.000 1.076 355 E CA -0.655 55.544 56.400 -0.335 0.000 0.905 355 E CB 0.707 30.333 29.700 -0.123 0.000 0.984 355 E HN 0.434 nan 8.360 nan 0.000 0.427 356 K N 2.183 122.537 120.400 -0.077 0.000 2.569 356 K HA -0.164 4.328 4.320 0.287 0.000 0.280 356 K C -0.972 175.589 176.600 -0.064 0.000 0.984 356 K CA 0.896 57.156 56.287 -0.045 0.000 1.064 356 K CB 0.284 32.774 32.500 -0.017 0.000 0.866 356 K HN 0.406 nan 8.250 nan 0.000 0.492 357 D N 3.566 123.912 120.400 -0.090 0.000 2.362 357 D HA 0.131 4.943 4.640 0.287 0.000 0.232 357 D C 0.237 176.446 176.300 -0.153 0.000 1.329 357 D CA -0.461 53.480 54.000 -0.098 0.000 0.944 357 D CB 0.547 41.305 40.800 -0.069 0.000 1.471 357 D HN 0.499 nan 8.370 nan 0.000 0.533 358 R N 0.804 121.188 120.500 -0.193 0.000 2.120 358 R HA -0.081 4.431 4.340 0.287 0.000 0.234 358 R C 1.955 178.135 176.300 -0.200 0.000 1.123 358 R CA 1.264 57.190 56.100 -0.290 0.000 0.975 358 R CB -0.676 29.449 30.300 -0.292 0.000 0.866 358 R HN 0.518 nan 8.270 nan 0.000 0.446 359 S N 0.694 116.318 115.700 -0.126 0.000 2.419 359 S HA -0.121 4.521 4.470 0.287 0.000 0.235 359 S C 1.629 176.181 174.600 -0.080 0.000 1.019 359 S CA 0.886 59.034 58.200 -0.088 0.000 0.982 359 S CB -0.059 63.103 63.200 -0.064 0.000 0.789 359 S HN 0.303 nan 8.310 nan 0.000 0.490 360 R N 0.292 120.741 120.500 -0.086 0.000 2.468 360 R HA 0.321 4.833 4.340 0.287 0.000 0.280 360 R C 1.316 177.578 176.300 -0.064 0.000 0.963 360 R CA 0.330 56.389 56.100 -0.067 0.000 1.083 360 R CB 0.112 30.375 30.300 -0.060 0.000 1.200 360 R HN 0.555 nan 8.270 nan 0.000 0.541 361 G N 1.791 110.518 108.800 -0.120 0.000 2.155 361 G HA2 -0.283 3.849 3.960 0.287 0.000 0.257 361 G HA3 -0.283 3.849 3.960 0.287 0.000 0.257 361 G C 0.174 175.055 174.900 -0.031 0.000 0.983 361 G CA -0.041 44.989 45.100 -0.116 0.000 0.676 361 G HN 0.306 nan 8.290 nan 0.000 0.528 362 I N 0.593 121.127 120.570 -0.061 0.000 2.294 362 I HA 0.290 4.632 4.170 0.287 0.000 0.295 362 I C 1.266 177.328 176.117 -0.092 0.000 1.098 362 I CA -0.754 60.547 61.300 0.001 0.000 1.277 362 I CB 0.318 38.319 38.000 0.001 0.000 1.434 362 I HN 0.057 nan 8.210 nan 0.000 0.498 363 Y N 5.041 125.223 120.300 -0.197 0.000 2.490 363 Y HA 0.192 4.913 4.550 0.286 0.000 0.285 363 Y C 0.275 175.855 175.900 -0.533 0.000 1.117 363 Y CA 0.441 58.295 58.100 -0.409 0.000 1.262 363 Y CB 0.091 38.139 38.460 -0.687 0.000 1.043 363 Y HN 0.317 nan 8.280 nan 0.000 0.553 364 F N -1.324 118.733 119.950 0.179 0.000 2.551 364 F HA 0.377 5.076 4.527 0.286 0.000 0.316 364 F C 0.353 176.156 175.800 0.005 0.000 1.089 364 F CA -1.772 56.290 58.000 0.104 0.000 0.915 364 F CB 1.023 40.081 39.000 0.097 0.000 1.186 364 F HN -0.465 nan 8.300 nan 0.000 0.456 365 T N 1.989 116.633 114.554 0.150 0.000 2.916 365 T HA 0.243 4.765 4.350 0.287 0.000 0.303 365 T C -0.438 174.231 174.700 -0.052 0.000 1.025 365 T CA 0.103 62.187 62.100 -0.027 0.000 1.142 365 T CB 0.527 69.387 68.868 -0.014 0.000 0.947 365 T HN 0.456 nan 8.240 nan 0.000 0.544 366 Q N 2.157 121.851 119.800 -0.177 0.000 2.290 366 Q HA 0.484 4.995 4.340 0.287 0.000 0.269 366 Q C -1.196 174.651 176.000 -0.254 0.000 1.016 366 Q CA -0.308 55.365 55.803 -0.217 0.000 0.754 366 Q CB 1.425 30.055 28.738 -0.181 0.000 1.247 366 Q HN 0.584 nan 8.270 nan 0.000 0.451 367 S N 2.986 118.536 115.700 -0.251 0.000 2.593 367 S HA 0.540 5.182 4.470 0.287 0.000 0.297 367 S C -0.687 173.751 174.600 -0.270 0.000 1.112 367 S CA -0.445 57.715 58.200 -0.067 0.000 1.043 367 S CB 0.621 63.878 63.200 0.095 0.000 1.054 367 S HN 0.820 nan 8.310 nan 0.000 0.516 368 W N 0.467 121.809 121.300 0.070 0.000 2.534 368 W HA 0.217 5.049 4.660 0.287 0.000 0.339 368 W C 0.383 176.918 176.519 0.028 0.000 0.961 368 W CA -0.490 56.873 57.345 0.029 0.000 1.545 368 W CB -0.031 29.441 29.460 0.021 0.000 1.104 368 W HN 0.571 nan 8.180 nan 0.000 0.538 369 V N -0.172 119.866 119.914 0.207 0.000 5.578 369 V HA -0.387 3.905 4.120 0.287 0.000 0.275 369 V C 0.761 176.937 176.094 0.137 0.000 0.642 369 V CA 0.783 63.163 62.300 0.134 0.000 0.613 369 V CB -2.529 29.347 31.823 0.088 0.000 0.301 369 V HN 0.476 nan 8.190 nan 0.000 0.782 370 S N -2.038 113.749 115.700 0.146 0.000 3.270 370 S HA -0.233 4.409 4.470 0.287 0.000 0.293 370 S C 0.745 175.396 174.600 0.085 0.000 1.278 370 S CA 1.384 59.646 58.200 0.103 0.000 1.038 370 S CB -1.800 61.441 63.200 0.068 0.000 1.218 370 S HN 1.705 nan 8.310 nan 0.000 0.659 371 T N 3.679 118.306 114.554 0.121 0.000 2.765 371 T HA 0.186 4.708 4.350 0.287 0.000 0.275 371 T C -1.836 172.848 174.700 -0.026 0.000 1.007 371 T CA -0.182 61.960 62.100 0.070 0.000 1.175 371 T CB -0.057 68.905 68.868 0.156 0.000 0.993 371 T HN 0.170 nan 8.240 nan 0.000 0.510 372 P HA 0.236 nan 4.420 nan 0.000 0.267 372 P C 0.534 177.744 177.300 -0.150 0.000 1.200 372 P CA -0.218 62.844 63.100 -0.064 0.000 0.772 372 P CB 0.406 32.083 31.700 -0.039 0.000 0.855 373 G N 0.818 109.545 108.800 -0.122 0.000 2.537 373 G HA2 0.465 4.596 3.960 0.287 0.000 0.273 373 G HA3 0.465 4.596 3.960 0.287 0.000 0.273 373 G C -0.894 173.929 174.900 -0.128 0.000 1.189 373 G CA -0.415 44.580 45.100 -0.174 0.000 0.881 373 G HN 0.362 nan 8.290 nan 0.000 0.535 374 V N 1.075 120.901 119.914 -0.147 0.000 2.513 374 V HA 0.300 4.592 4.120 0.287 0.000 0.299 374 V C -0.195 175.859 176.094 -0.067 0.000 1.035 374 V CA -0.798 61.441 62.300 -0.103 0.000 0.889 374 V CB 1.627 33.364 31.823 -0.143 0.000 0.988 374 V HN 0.582 nan 8.190 nan 0.000 0.440 375 L N 8.616 129.802 121.223 -0.062 0.000 2.313 375 L HA 0.467 4.979 4.340 0.287 0.000 0.282 375 L C -2.077 174.712 176.870 -0.135 0.000 1.092 375 L CA -1.480 53.293 54.840 -0.112 0.000 0.831 375 L CB 1.013 42.950 42.059 -0.202 0.000 1.159 375 L HN 0.428 nan 8.230 nan 0.000 0.442 376 P HA 0.107 nan 4.420 nan 0.000 0.275 376 P C -1.188 175.962 177.300 -0.250 0.000 1.227 376 P CA -0.166 62.889 63.100 -0.076 0.000 0.781 376 P CB 1.147 32.891 31.700 0.074 0.000 0.906 377 V N 2.558 122.301 119.914 -0.284 0.000 2.407 377 V HA 0.485 4.777 4.120 0.287 0.000 0.291 377 V C 0.414 176.188 176.094 -0.534 0.000 1.018 377 V CA -0.873 61.172 62.300 -0.425 0.000 0.842 377 V CB 1.304 32.881 31.823 -0.410 0.000 0.996 377 V HN 0.670 nan 8.190 nan 0.000 0.426 378 A N 3.757 126.198 122.820 -0.632 0.000 2.269 378 A HA 0.781 5.273 4.320 0.287 0.000 0.302 378 A C 0.098 177.392 177.584 -0.485 0.000 1.266 378 A CA -0.141 51.541 52.037 -0.592 0.000 0.894 378 A CB 0.831 19.347 19.000 -0.808 0.000 1.147 378 A HN 0.769 nan 8.150 nan 0.000 0.537 379 S N 1.376 116.848 115.700 -0.380 0.000 2.546 379 S HA 0.799 5.441 4.470 0.287 0.000 0.274 379 S C -0.437 174.028 174.600 -0.225 0.000 1.121 379 S CA 0.252 58.262 58.200 -0.318 0.000 0.887 379 S CB 1.548 64.623 63.200 -0.208 0.000 1.094 379 S HN 2.400 nan 8.310 nan 0.000 0.474 380 G N 1.608 110.259 108.800 -0.248 0.000 2.492 380 G HA2 0.444 4.576 3.960 0.287 0.000 0.283 380 G HA3 0.444 4.576 3.960 0.287 0.000 0.283 380 G C 0.668 175.378 174.900 -0.317 0.000 1.274 380 G CA 0.114 45.088 45.100 -0.210 0.000 1.215 380 G HN 1.936 nan 8.290 nan 0.000 0.598 381 G N 0.311 108.954 108.800 -0.262 0.000 2.273 381 G HA2 -0.048 4.084 3.960 0.287 0.000 0.280 381 G HA3 -0.048 4.084 3.960 0.287 0.000 0.280 381 G C 0.606 175.413 174.900 -0.154 0.000 1.047 381 G CA 1.127 46.071 45.100 -0.261 0.000 0.869 381 G HN 2.111 nan 8.290 nan 0.000 0.502 382 I N -2.829 117.632 120.570 -0.181 0.000 3.076 382 I HA 1.022 5.364 4.170 0.287 0.000 0.313 382 I C 0.269 176.535 176.117 0.248 0.000 1.053 382 I CA -1.276 59.970 61.300 -0.091 0.000 1.048 382 I CB 1.906 39.712 38.000 -0.323 0.000 1.264 382 I HN 0.429 nan 8.210 nan 0.000 0.498 383 H N -0.750 118.672 119.070 0.588 0.000 2.887 383 H HA 0.340 5.067 4.556 0.285 0.000 0.290 383 H C 0.258 175.726 175.328 0.232 0.000 1.429 383 H CA -0.404 55.805 56.048 0.269 0.000 1.137 383 H CB 0.433 30.059 29.762 -0.227 0.000 1.824 383 H HN 0.332 nan 8.280 nan 0.000 0.520 384 V N -2.824 117.239 119.914 0.248 0.000 2.392 384 V HA -0.193 4.099 4.120 0.287 0.000 0.249 384 V C 1.457 177.532 176.094 -0.032 0.000 1.059 384 V CA 1.805 64.075 62.300 -0.050 0.000 1.051 384 V CB -1.239 30.438 31.823 -0.244 0.000 0.658 384 V HN 0.758 nan 8.190 nan 0.000 0.455 385 W N 0.003 121.442 121.300 0.231 0.000 2.402 385 W HA -0.013 4.823 4.660 0.293 0.000 0.286 385 W C 2.675 179.133 176.519 -0.100 0.000 1.221 385 W CA 1.273 58.647 57.345 0.049 0.000 1.257 385 W CB -0.515 29.002 29.460 0.095 0.000 1.120 385 W HN 0.349 nan 8.180 nan 0.000 0.551 386 H N -0.558 118.606 119.070 0.157 0.000 2.556 386 H HA -0.016 4.713 4.556 0.288 0.000 0.268 386 H C 1.831 177.242 175.328 0.139 0.000 0.996 386 H CA 0.954 57.064 56.048 0.104 0.000 1.157 386 H CB -0.379 29.390 29.762 0.012 0.000 1.355 386 H HN 0.182 nan 8.280 nan 0.000 0.597 387 M N 1.575 121.311 119.600 0.227 0.000 2.073 387 M HA -0.082 4.570 4.480 0.287 0.000 0.258 387 M C -0.854 175.539 176.300 0.156 0.000 1.070 387 M CA 1.585 56.993 55.300 0.180 0.000 1.103 387 M CB -0.976 31.666 32.600 0.069 0.000 1.321 387 M HN 0.091 nan 8.290 nan 0.000 0.405 388 P HA -0.130 nan 4.420 nan 0.000 0.213 388 P C 1.204 178.577 177.300 0.122 0.000 1.170 388 P CA 2.409 65.579 63.100 0.117 0.000 0.902 388 P CB -0.390 31.378 31.700 0.113 0.000 0.789 389 A N -0.657 122.247 122.820 0.140 0.000 1.892 389 A HA -0.219 4.273 4.320 0.287 0.000 0.218 389 A C 2.289 179.953 177.584 0.134 0.000 1.188 389 A CA 1.779 53.891 52.037 0.124 0.000 0.631 389 A CB -1.783 17.305 19.000 0.147 0.000 0.822 389 A HN 0.098 nan 8.150 nan 0.000 0.447 390 L N -0.942 120.397 121.223 0.193 0.000 1.989 390 L HA -0.210 4.302 4.340 0.287 0.000 0.211 390 L C 2.882 179.915 176.870 0.272 0.000 1.071 390 L CA 2.006 57.011 54.840 0.276 0.000 0.749 390 L CB -1.132 41.067 42.059 0.233 0.000 0.890 390 L HN 0.378 nan 8.230 nan 0.000 0.431 391 T N -1.099 113.565 114.554 0.184 0.000 2.684 391 T HA -0.244 4.278 4.350 0.287 0.000 0.267 391 T C 1.835 176.604 174.700 0.116 0.000 1.036 391 T CA 1.481 63.669 62.100 0.147 0.000 1.148 391 T CB -0.241 68.692 68.868 0.108 0.000 0.863 391 T HN 0.323 nan 8.240 nan 0.000 0.436 392 E N 0.711 120.962 120.200 0.084 0.000 2.085 392 E HA -0.125 4.397 4.350 0.287 0.000 0.194 392 E C 2.198 178.792 176.600 -0.010 0.000 0.994 392 E CA 1.107 57.531 56.400 0.039 0.000 0.801 392 E CB -0.240 29.479 29.700 0.032 0.000 0.743 392 E HN 0.515 nan 8.360 nan 0.000 0.453 393 I N -0.651 119.890 120.570 -0.049 0.000 2.233 393 I HA -0.217 4.125 4.170 0.287 0.000 0.243 393 I C 1.938 177.852 176.117 -0.338 0.000 1.093 393 I CA 0.955 62.095 61.300 -0.267 0.000 1.380 393 I CB -0.146 37.582 38.000 -0.454 0.000 1.067 393 I HN 0.032 nan 8.210 nan 0.000 0.413 394 F N 0.251 120.193 119.950 -0.014 0.000 2.505 394 F HA 0.335 5.034 4.527 0.285 0.000 0.289 394 F C 1.523 177.320 175.800 -0.005 0.000 1.101 394 F CA 0.659 58.648 58.000 -0.019 0.000 1.446 394 F CB -0.437 38.548 39.000 -0.025 0.000 1.123 394 F HN 0.136 nan 8.300 nan 0.000 0.564 395 G N 0.626 109.526 108.800 0.167 0.000 2.681 395 G HA2 -0.275 3.857 3.960 0.287 0.000 0.220 395 G HA3 -0.275 3.857 3.960 0.287 0.000 0.220 395 G C 0.081 175.047 174.900 0.110 0.000 1.353 395 G CA -0.009 45.156 45.100 0.108 0.000 0.872 395 G HN 0.115 nan 8.290 nan 0.000 0.557 396 D N 0.412 120.862 120.400 0.082 0.000 2.178 396 D HA 0.066 4.878 4.640 0.287 0.000 0.202 396 D C 0.853 177.190 176.300 0.062 0.000 0.974 396 D CA 1.315 55.358 54.000 0.072 0.000 0.841 396 D CB -0.010 40.831 40.800 0.069 0.000 0.953 396 D HN 0.367 nan 8.370 nan 0.000 0.478 397 D N 0.475 120.914 120.400 0.065 0.000 2.524 397 D HA 0.211 5.023 4.640 0.287 0.000 0.222 397 D C -0.204 176.111 176.300 0.024 0.000 1.142 397 D CA 0.015 54.040 54.000 0.042 0.000 0.973 397 D CB 0.192 41.017 40.800 0.043 0.000 1.025 397 D HN 0.007 nan 8.370 nan 0.000 0.519 398 S N -1.093 114.599 115.700 -0.014 0.000 2.588 398 S HA 0.570 5.212 4.470 0.287 0.000 0.269 398 S C -0.941 173.585 174.600 -0.123 0.000 1.157 398 S CA -0.902 57.236 58.200 -0.103 0.000 0.824 398 S CB 1.718 64.855 63.200 -0.105 0.000 1.126 398 S HN -0.064 nan 8.310 nan 0.000 0.464 399 V N 1.868 121.658 119.914 -0.206 0.000 2.384 399 V HA 0.471 4.763 4.120 0.287 0.000 0.287 399 V C -0.713 175.272 176.094 -0.182 0.000 1.020 399 V CA -0.616 61.613 62.300 -0.119 0.000 0.850 399 V CB 1.129 32.881 31.823 -0.119 0.000 0.987 399 V HN 0.796 nan 8.190 nan 0.000 0.436 400 L N 5.305 126.475 121.223 -0.088 0.000 2.272 400 L HA 0.561 5.073 4.340 0.287 0.000 0.289 400 L C -0.045 176.737 176.870 -0.147 0.000 1.032 400 L CA -0.210 54.538 54.840 -0.152 0.000 0.810 400 L CB 1.132 43.222 42.059 0.052 0.000 1.205 400 L HN 0.589 nan 8.230 nan 0.000 0.422 401 Q N 3.706 123.246 119.800 -0.434 0.000 2.325 401 Q HA 0.451 4.963 4.340 0.287 0.000 0.270 401 Q C -1.473 174.248 176.000 -0.464 0.000 1.020 401 Q CA -0.420 55.219 55.803 -0.274 0.000 0.785 401 Q CB 2.364 30.983 28.738 -0.198 0.000 1.259 401 Q HN 0.457 nan 8.270 nan 0.000 0.452 402 F N 1.278 121.201 119.950 -0.045 0.000 2.564 402 F HA 0.310 5.013 4.527 0.294 0.000 0.368 402 F C 0.888 176.669 175.800 -0.032 0.000 1.127 402 F CA -0.554 57.419 58.000 -0.046 0.000 1.170 402 F CB 1.175 40.152 39.000 -0.039 0.000 1.397 402 F HN 0.712 nan 8.300 nan 0.000 0.493 403 G N 1.215 110.055 108.800 0.067 0.000 2.658 403 G HA2 0.030 4.162 3.960 0.287 0.000 0.217 403 G HA3 0.030 4.162 3.960 0.287 0.000 0.217 403 G C 1.794 176.742 174.900 0.081 0.000 1.319 403 G CA 0.649 45.784 45.100 0.059 0.000 0.885 403 G HN 0.671 nan 8.290 nan 0.000 0.553 404 G N 0.670 109.509 108.800 0.065 0.000 2.450 404 G HA2 0.050 4.182 3.960 0.287 0.000 0.220 404 G HA3 0.050 4.182 3.960 0.287 0.000 0.220 404 G C 1.745 176.692 174.900 0.079 0.000 1.130 404 G CA 1.398 46.555 45.100 0.095 0.000 0.760 404 G HN 0.716 nan 8.290 nan 0.000 0.557 405 G N -0.305 108.483 108.800 -0.019 0.000 2.501 405 G HA2 -0.045 4.087 3.960 0.287 0.000 0.220 405 G HA3 -0.045 4.087 3.960 0.287 0.000 0.220 405 G C 1.617 176.597 174.900 0.133 0.000 1.114 405 G CA 1.722 46.754 45.100 -0.113 0.000 0.757 405 G HN 0.429 nan 8.290 nan 0.000 0.559 406 T N 0.536 115.196 114.554 0.177 0.000 3.031 406 T HA 0.076 4.598 4.350 0.287 0.000 0.236 406 T C 2.055 176.868 174.700 0.189 0.000 1.005 406 T CA 0.140 62.336 62.100 0.161 0.000 1.230 406 T CB -0.199 68.728 68.868 0.098 0.000 0.913 406 T HN 0.038 nan 8.240 nan 0.000 0.419 407 L N 1.516 122.828 121.223 0.147 0.000 2.549 407 L HA 0.143 4.655 4.340 0.287 0.000 0.230 407 L C 2.230 179.214 176.870 0.190 0.000 1.162 407 L CA 1.021 55.941 54.840 0.133 0.000 0.834 407 L CB -0.511 41.596 42.059 0.079 0.000 0.947 407 L HN 0.397 nan 8.230 nan 0.000 0.452 408 G N -3.509 105.468 108.800 0.294 0.000 3.020 408 G HA2 -0.075 4.057 3.960 0.287 0.000 0.217 408 G HA3 -0.075 4.057 3.960 0.287 0.000 0.217 408 G C 0.584 175.678 174.900 0.325 0.000 1.144 408 G CA -0.332 44.978 45.100 0.350 0.000 0.760 408 G HN 0.300 nan 8.290 nan 0.000 0.548 409 H N 2.298 121.529 119.070 0.269 0.000 3.140 409 H HA -0.015 4.710 4.556 0.281 0.000 0.316 409 H C -0.866 174.446 175.328 -0.027 0.000 0.986 409 H CA -0.468 55.584 56.048 0.007 0.000 1.397 409 H CB 1.709 31.482 29.762 0.019 0.000 1.377 409 H HN 0.082 nan 8.280 nan 0.000 0.585 410 P HA -0.146 nan 4.420 nan 0.000 0.222 410 P C 0.706 178.250 177.300 0.407 0.000 1.147 410 P CA 1.155 64.275 63.100 0.034 0.000 0.790 410 P CB 0.067 31.702 31.700 -0.108 0.000 0.780 411 W N 0.410 121.904 121.300 0.323 0.000 3.220 411 W HA 0.488 5.309 4.660 0.270 0.000 0.328 411 W C 1.170 177.737 176.519 0.081 0.000 1.205 411 W CA 0.518 57.968 57.345 0.175 0.000 1.773 411 W CB -0.551 29.004 29.460 0.159 0.000 1.086 411 W HN 0.078 nan 8.180 nan 0.000 0.622 412 G N 0.747 109.719 108.800 0.287 0.000 2.483 412 G HA2 -0.278 3.854 3.960 0.287 0.000 0.521 412 G HA3 -0.278 3.854 3.960 0.287 0.000 0.521 412 G C 0.584 175.523 174.900 0.065 0.000 1.278 412 G CA -0.182 45.001 45.100 0.140 0.000 0.965 412 G HN -0.038 nan 8.290 nan 0.000 0.504 413 N N -0.025 118.688 118.700 0.021 0.000 2.171 413 N HA 0.087 4.999 4.740 0.287 0.000 0.184 413 N C 2.723 178.189 175.510 -0.073 0.000 1.021 413 N CA 2.397 55.438 53.050 -0.016 0.000 0.854 413 N CB -0.645 37.826 38.487 -0.028 0.000 0.994 413 N HN 1.056 nan 8.380 nan 0.000 0.426 414 A N 1.456 124.223 122.820 -0.088 0.000 1.865 414 A HA -0.063 4.429 4.320 0.287 0.000 0.217 414 A C -0.244 177.258 177.584 -0.136 0.000 1.191 414 A CA 1.485 53.452 52.037 -0.118 0.000 0.623 414 A CB -1.497 17.435 19.000 -0.114 0.000 0.826 414 A HN 0.226 nan 8.150 nan 0.000 0.444 415 P HA 0.004 nan 4.420 nan 0.000 0.220 415 P C 1.703 178.637 177.300 -0.610 0.000 1.152 415 P CA 1.457 64.371 63.100 -0.309 0.000 0.812 415 P CB -0.304 31.277 31.700 -0.199 0.000 0.792 416 G N 0.618 109.107 108.800 -0.518 0.000 2.421 416 G HA2 -0.265 3.867 3.960 0.287 0.000 0.216 416 G HA3 -0.265 3.867 3.960 0.287 0.000 0.216 416 G C 1.674 176.476 174.900 -0.163 0.000 1.171 416 G CA 0.977 45.914 45.100 -0.271 0.000 0.775 416 G HN 0.286 nan 8.290 nan 0.000 0.543 417 A N 0.118 122.854 122.820 -0.139 0.000 1.908 417 A HA 0.013 4.504 4.320 0.287 0.000 0.218 417 A C 2.605 180.103 177.584 -0.143 0.000 1.181 417 A CA 2.039 54.004 52.037 -0.120 0.000 0.627 417 A CB -0.646 18.294 19.000 -0.101 0.000 0.818 417 A HN 0.298 nan 8.150 nan 0.000 0.445 418 V N -0.296 119.521 119.914 -0.161 0.000 2.427 418 V HA -0.198 4.094 4.120 0.287 0.000 0.248 418 V C 3.021 179.017 176.094 -0.164 0.000 1.051 418 V CA 1.732 63.951 62.300 -0.135 0.000 1.048 418 V CB -1.308 30.447 31.823 -0.114 0.000 0.666 418 V HN 0.626 nan 8.190 nan 0.000 0.456 419 A N 0.673 123.365 122.820 -0.213 0.000 1.865 419 A HA -0.307 4.184 4.320 0.287 0.000 0.217 419 A C 2.066 179.510 177.584 -0.233 0.000 1.191 419 A CA 2.535 54.442 52.037 -0.215 0.000 0.623 419 A CB -0.932 17.982 19.000 -0.144 0.000 0.826 419 A HN 0.672 nan 8.150 nan 0.000 0.444 420 N N -1.277 117.263 118.700 -0.267 0.000 2.084 420 N HA -0.192 4.720 4.740 0.287 0.000 0.190 420 N C 2.025 177.377 175.510 -0.263 0.000 1.030 420 N CA 1.372 54.183 53.050 -0.399 0.000 0.849 420 N CB -0.140 38.005 38.487 -0.571 0.000 1.012 420 N HN 0.393 nan 8.380 nan 0.000 0.423 421 R N 1.283 121.680 120.500 -0.171 0.000 2.081 421 R HA -0.043 4.469 4.340 0.287 0.000 0.235 421 R C 1.777 178.042 176.300 -0.057 0.000 1.131 421 R CA 1.103 57.148 56.100 -0.093 0.000 0.960 421 R CB -0.792 29.468 30.300 -0.068 0.000 0.856 421 R HN 0.039 nan 8.270 nan 0.000 0.436 422 V N 0.926 120.799 119.914 -0.068 0.000 2.261 422 V HA -0.241 4.051 4.120 0.287 0.000 0.246 422 V C 2.408 178.468 176.094 -0.058 0.000 1.047 422 V CA 2.061 64.343 62.300 -0.030 0.000 1.015 422 V CB -1.201 30.547 31.823 -0.125 0.000 0.642 422 V HN 0.532 nan 8.190 nan 0.000 0.446 423 A N -0.138 122.594 122.820 -0.147 0.000 1.892 423 A HA -0.271 4.221 4.320 0.287 0.000 0.218 423 A C 2.211 179.759 177.584 -0.060 0.000 1.188 423 A CA 2.467 54.421 52.037 -0.138 0.000 0.631 423 A CB -0.700 18.178 19.000 -0.204 0.000 0.822 423 A HN 0.472 nan 8.150 nan 0.000 0.447 424 L N -0.074 121.116 121.223 -0.054 0.000 1.994 424 L HA -0.179 4.333 4.340 0.287 0.000 0.208 424 L C 2.299 179.185 176.870 0.028 0.000 1.071 424 L CA 2.578 57.419 54.840 0.002 0.000 0.745 424 L CB -0.617 41.446 42.059 0.007 0.000 0.892 424 L HN 0.534 nan 8.230 nan 0.000 0.431 425 E N -0.559 119.660 120.200 0.033 0.000 2.150 425 E HA -0.194 4.327 4.350 0.287 0.000 0.193 425 E C 2.151 178.799 176.600 0.081 0.000 0.985 425 E CA 0.924 57.359 56.400 0.058 0.000 0.814 425 E CB -0.299 29.440 29.700 0.065 0.000 0.752 425 E HN 0.664 nan 8.360 nan 0.000 0.466 426 A N 0.770 123.653 122.820 0.106 0.000 1.940 426 A HA -0.215 4.277 4.320 0.287 0.000 0.219 426 A C 2.370 180.000 177.584 0.077 0.000 1.176 426 A CA 1.268 53.377 52.037 0.120 0.000 0.631 426 A CB -0.760 18.314 19.000 0.123 0.000 0.814 426 A HN 0.355 nan 8.150 nan 0.000 0.446 427 C N -1.590 117.744 119.300 0.057 0.000 2.475 427 C HA 0.025 4.657 4.460 0.287 0.000 0.279 427 C C 2.714 177.737 174.990 0.057 0.000 1.322 427 C CA 0.706 59.758 59.018 0.057 0.000 1.734 427 C CB -1.102 26.673 27.740 0.058 0.000 2.005 427 C HN 0.460 nan 8.230 nan 0.000 0.495 428 V N 0.888 120.835 119.914 0.055 0.000 2.261 428 V HA -0.307 3.985 4.120 0.287 0.000 0.246 428 V C 2.518 178.639 176.094 0.045 0.000 1.047 428 V CA 2.348 64.678 62.300 0.050 0.000 1.015 428 V CB -0.958 30.894 31.823 0.049 0.000 0.642 428 V HN 0.623 nan 8.190 nan 0.000 0.446 429 Q N -0.082 119.746 119.800 0.047 0.000 2.020 429 Q HA -0.228 4.284 4.340 0.287 0.000 0.202 429 Q C 2.275 178.298 176.000 0.038 0.000 0.982 429 Q CA 2.213 58.038 55.803 0.037 0.000 0.838 429 Q CB -0.369 28.391 28.738 0.036 0.000 0.899 429 Q HN 0.606 nan 8.270 nan 0.000 0.423 430 A N 1.385 124.234 122.820 0.048 0.000 1.883 430 A HA -0.271 4.221 4.320 0.287 0.000 0.217 430 A C 2.156 179.763 177.584 0.040 0.000 1.186 430 A CA 1.775 53.840 52.037 0.046 0.000 0.624 430 A CB -0.879 18.154 19.000 0.055 0.000 0.822 430 A HN 0.500 nan 8.150 nan 0.000 0.444 431 R N 0.085 120.611 120.500 0.042 0.000 2.094 431 R HA -0.212 4.299 4.340 0.287 0.000 0.239 431 R C 1.920 178.239 176.300 0.032 0.000 1.137 431 R CA 2.183 58.306 56.100 0.038 0.000 0.943 431 R CB -0.591 29.734 30.300 0.042 0.000 0.850 431 R HN 0.764 nan 8.270 nan 0.000 0.433 432 N N -0.181 118.538 118.700 0.031 0.000 2.289 432 N HA -0.143 4.769 4.740 0.287 0.000 0.184 432 N C 1.334 176.856 175.510 0.020 0.000 1.016 432 N CA 1.023 54.088 53.050 0.025 0.000 0.872 432 N CB 0.008 38.509 38.487 0.024 0.000 0.973 432 N HN 0.449 nan 8.380 nan 0.000 0.433 433 E N -0.128 120.084 120.200 0.021 0.000 2.274 433 E HA -0.026 4.496 4.350 0.287 0.000 0.194 433 E C 1.005 177.616 176.600 0.018 0.000 0.996 433 E CA 0.569 56.980 56.400 0.018 0.000 0.840 433 E CB 0.193 29.904 29.700 0.019 0.000 0.772 433 E HN 0.488 nan 8.360 nan 0.000 0.491 434 G N 1.350 110.162 108.800 0.021 0.000 2.151 434 G HA2 -0.166 3.965 3.960 0.287 0.000 0.140 434 G HA3 -0.166 3.965 3.960 0.287 0.000 0.140 434 G C -0.009 174.905 174.900 0.022 0.000 1.020 434 G CA -0.556 44.555 45.100 0.020 0.000 0.688 434 G HN -0.020 nan 8.290 nan 0.000 0.500 435 R N 0.286 120.802 120.500 0.027 0.000 2.532 435 R HA 0.445 4.957 4.340 0.287 0.000 0.272 435 R C -1.011 175.307 176.300 0.031 0.000 1.032 435 R CA -0.744 55.374 56.100 0.030 0.000 1.089 435 R CB 1.013 31.334 30.300 0.035 0.000 1.098 435 R HN 0.183 nan 8.270 nan 0.000 0.526 436 D N 2.507 122.925 120.400 0.031 0.000 2.347 436 D HA 0.068 4.880 4.640 0.287 0.000 0.235 436 D C 1.074 177.398 176.300 0.039 0.000 1.149 436 D CA -0.132 53.886 54.000 0.031 0.000 0.850 436 D CB 1.073 41.889 40.800 0.026 0.000 1.061 436 D HN 0.410 nan 8.370 nan 0.000 0.487 437 L N 3.160 124.408 121.223 0.041 0.000 2.141 437 L HA -0.136 4.376 4.340 0.287 0.000 0.209 437 L C 2.332 179.234 176.870 0.054 0.000 1.094 437 L CA 1.046 55.917 54.840 0.052 0.000 0.763 437 L CB -0.153 41.939 42.059 0.055 0.000 0.908 437 L HN 0.450 nan 8.230 nan 0.000 0.437 438 A N -0.223 122.622 122.820 0.042 0.000 1.929 438 A HA -0.144 4.348 4.320 0.287 0.000 0.216 438 A C 2.378 179.986 177.584 0.040 0.000 1.176 438 A CA 1.026 53.087 52.037 0.040 0.000 0.628 438 A CB -0.295 18.720 19.000 0.026 0.000 0.816 438 A HN 0.261 nan 8.150 nan 0.000 0.444 439 R N -0.545 119.977 120.500 0.036 0.000 2.075 439 R HA -0.007 4.505 4.340 0.287 0.000 0.226 439 R C 1.039 177.365 176.300 0.043 0.000 1.114 439 R CA 1.438 57.559 56.100 0.034 0.000 0.972 439 R CB -0.035 30.282 30.300 0.028 0.000 0.869 439 R HN 0.589 nan 8.270 nan 0.000 0.437 440 E N -1.078 119.152 120.200 0.050 0.000 2.548 440 E HA 0.101 4.623 4.350 0.287 0.000 0.206 440 E C 1.313 177.959 176.600 0.076 0.000 1.005 440 E CA -0.068 56.366 56.400 0.057 0.000 0.951 440 E CB 1.098 30.829 29.700 0.051 0.000 1.035 440 E HN 0.363 nan 8.360 nan 0.000 0.470 441 G N 2.089 110.941 108.800 0.086 0.000 2.459 441 G HA2 -0.309 3.823 3.960 0.287 0.000 0.217 441 G HA3 -0.309 3.823 3.960 0.287 0.000 0.217 441 G C 1.487 176.481 174.900 0.156 0.000 1.183 441 G CA 0.821 45.987 45.100 0.111 0.000 0.776 441 G HN 0.143 nan 8.290 nan 0.000 0.552 442 N N 0.361 119.176 118.700 0.191 0.000 2.104 442 N HA -0.083 4.829 4.740 0.287 0.000 0.190 442 N C 2.441 178.104 175.510 0.255 0.000 1.024 442 N CA 1.654 54.888 53.050 0.307 0.000 0.853 442 N CB -0.820 37.779 38.487 0.186 0.000 1.008 442 N HN 0.274 nan 8.380 nan 0.000 0.424 443 T N 1.439 116.083 114.554 0.150 0.000 2.635 443 T HA -0.088 4.434 4.350 0.287 0.000 0.267 443 T C 2.065 176.823 174.700 0.097 0.000 1.040 443 T CA 1.036 63.203 62.100 0.111 0.000 1.156 443 T CB -0.355 68.561 68.868 0.080 0.000 0.863 443 T HN 0.189 nan 8.240 nan 0.000 0.430 444 I N 0.607 121.230 120.570 0.088 0.000 2.163 444 I HA -0.166 4.176 4.170 0.287 0.000 0.243 444 I C 2.293 178.430 176.117 0.034 0.000 1.085 444 I CA 0.953 62.294 61.300 0.069 0.000 1.347 444 I CB -0.405 37.635 38.000 0.066 0.000 1.044 444 I HN 0.174 nan 8.210 nan 0.000 0.408 445 I N 0.769 121.342 120.570 0.005 0.000 2.127 445 I HA -0.298 4.044 4.170 0.287 0.000 0.241 445 I C 2.669 178.693 176.117 -0.155 0.000 1.075 445 I CA 1.639 62.855 61.300 -0.140 0.000 1.334 445 I CB -1.372 36.478 38.000 -0.250 0.000 1.040 445 I HN 0.264 nan 8.210 nan 0.000 0.405 446 R N 0.606 121.105 120.500 -0.001 0.000 2.136 446 R HA -0.257 4.255 4.340 0.287 0.000 0.242 446 R C 2.144 178.441 176.300 -0.004 0.000 1.131 446 R CA 2.144 58.268 56.100 0.041 0.000 0.937 446 R CB -0.549 29.829 30.300 0.131 0.000 0.863 446 R HN 0.521 nan 8.270 nan 0.000 0.435 447 E N 0.122 120.343 120.200 0.036 0.000 2.097 447 E HA -0.225 4.297 4.350 0.287 0.000 0.196 447 E C 1.955 178.582 176.600 0.046 0.000 1.000 447 E CA 1.436 57.881 56.400 0.075 0.000 0.804 447 E CB -0.194 29.581 29.700 0.125 0.000 0.740 447 E HN 0.432 nan 8.360 nan 0.000 0.454 448 A N 1.053 123.836 122.820 -0.062 0.000 2.067 448 A HA -0.131 4.361 4.320 0.287 0.000 0.219 448 A C 2.330 179.392 177.584 -0.870 0.000 1.158 448 A CA 1.645 53.458 52.037 -0.374 0.000 0.661 448 A CB -0.774 18.078 19.000 -0.248 0.000 0.801 448 A HN 0.394 nan 8.150 nan 0.000 0.452 449 T N -2.493 111.772 114.554 -0.481 0.000 3.055 449 T HA -0.012 4.510 4.350 0.287 0.000 0.265 449 T C 1.565 176.080 174.700 -0.309 0.000 1.111 449 T CA 0.951 62.801 62.100 -0.416 0.000 1.118 449 T CB -0.102 68.614 68.868 -0.253 0.000 0.909 449 T HN 0.354 nan 8.240 nan 0.000 0.501 450 K N 1.104 121.373 120.400 -0.218 0.000 2.155 450 K HA 0.010 4.502 4.320 0.287 0.000 0.203 450 K C 1.994 178.627 176.600 0.055 0.000 1.052 450 K CA 1.086 57.359 56.287 -0.024 0.000 0.948 450 K CB -0.255 32.297 32.500 0.087 0.000 0.728 450 K HN 0.819 nan 8.250 nan 0.000 0.448 451 W N 0.022 121.317 121.300 -0.007 0.000 2.998 451 W HA 0.342 5.007 4.660 0.008 0.000 0.336 451 W C 0.037 176.553 176.519 -0.004 0.000 1.112 451 W CA -0.449 56.895 57.345 -0.002 0.000 1.682 451 W CB -0.059 29.398 29.460 -0.004 0.000 1.065 451 W HN -0.178 nan 8.180 nan 0.000 0.570 452 S N 3.676 119.021 115.700 -0.592 0.000 2.601 452 S HA 0.359 5.000 4.470 0.287 0.000 0.312 452 S C -1.279 173.155 174.600 -0.277 0.000 1.107 452 S CA -1.406 56.534 58.200 -0.434 0.000 1.129 452 S CB 1.367 64.104 63.200 -0.772 0.000 0.982 452 S HN -0.213 nan 8.310 nan 0.000 0.469 453 P HA 0.028 nan 4.420 nan 0.000 0.225 453 P C 0.800 177.956 177.300 -0.239 0.000 1.156 453 P CA 0.699 63.781 63.100 -0.030 0.000 0.787 453 P CB 0.280 32.103 31.700 0.205 0.000 0.802 454 E N 0.302 120.369 120.200 -0.222 0.000 2.038 454 E HA -0.176 4.346 4.350 0.287 0.000 0.195 454 E C 1.942 178.350 176.600 -0.319 0.000 1.000 454 E CA 0.979 57.154 56.400 -0.375 0.000 0.803 454 E CB -1.386 28.177 29.700 -0.229 0.000 0.750 454 E HN 0.129 nan 8.360 nan 0.000 0.448 455 L N 0.353 121.385 121.223 -0.318 0.000 2.083 455 L HA -0.062 4.450 4.340 0.287 0.000 0.209 455 L C 2.008 178.675 176.870 -0.338 0.000 1.083 455 L CA 1.979 56.621 54.840 -0.329 0.000 0.752 455 L CB -0.762 41.047 42.059 -0.418 0.000 0.899 455 L HN 0.124 nan 8.230 nan 0.000 0.433 456 A N -0.368 122.253 122.820 -0.332 0.000 1.877 456 A HA -0.084 4.408 4.320 0.287 0.000 0.216 456 A C 2.477 179.879 177.584 -0.304 0.000 1.186 456 A CA 1.805 53.680 52.037 -0.269 0.000 0.620 456 A CB -1.220 17.669 19.000 -0.185 0.000 0.822 456 A HN 0.564 nan 8.150 nan 0.000 0.443 457 A N -0.041 122.509 122.820 -0.449 0.000 1.883 457 A HA 0.111 4.603 4.320 0.287 0.000 0.217 457 A C 2.540 179.712 177.584 -0.686 0.000 1.186 457 A CA 2.346 54.012 52.037 -0.619 0.000 0.624 457 A CB -1.169 17.153 19.000 -1.131 0.000 0.822 457 A HN 1.125 nan 8.150 nan 0.000 0.444 458 A N -0.736 121.725 122.820 -0.597 0.000 1.873 458 A HA -0.251 4.241 4.320 0.287 0.000 0.218 458 A C 2.356 179.781 177.584 -0.266 0.000 1.193 458 A CA 1.920 53.706 52.037 -0.418 0.000 0.629 458 A CB -1.475 17.509 19.000 -0.028 0.000 0.826 458 A HN 0.644 nan 8.150 nan 0.000 0.447 459 C N -0.381 118.775 119.300 -0.241 0.000 2.413 459 C HA -0.121 4.511 4.460 0.287 0.000 0.276 459 C C 2.657 177.757 174.990 0.183 0.000 1.248 459 C CA 1.200 60.184 59.018 -0.056 0.000 1.742 459 C CB -1.542 26.064 27.740 -0.223 0.000 2.017 459 C HN 0.751 nan 8.230 nan 0.000 0.481 460 E N 0.679 120.845 120.200 -0.056 0.000 2.085 460 E HA -0.184 4.338 4.350 0.287 0.000 0.194 460 E C 2.040 178.527 176.600 -0.188 0.000 0.994 460 E CA 1.407 57.757 56.400 -0.083 0.000 0.801 460 E CB -0.368 29.247 29.700 -0.143 0.000 0.743 460 E HN 0.477 nan 8.360 nan 0.000 0.453 461 V N 0.254 119.912 119.914 -0.426 0.000 2.407 461 V HA -0.183 4.109 4.120 0.287 0.000 0.248 461 V C 1.114 176.883 176.094 -0.542 0.000 1.055 461 V CA 1.254 63.153 62.300 -0.668 0.000 1.049 461 V CB -0.300 30.754 31.823 -1.281 0.000 0.662 461 V HN 0.454 nan 8.190 nan 0.000 0.455 462 W N -0.505 120.724 121.300 -0.118 0.000 2.653 462 W HA 0.344 5.174 4.660 0.284 0.000 0.391 462 W C 1.767 178.176 176.519 -0.183 0.000 0.962 462 W CA -0.866 56.326 57.345 -0.254 0.000 1.900 462 W CB -0.124 28.910 29.460 -0.710 0.000 1.176 462 W HN 0.259 nan 8.180 nan 0.000 0.582 463 K N 1.272 121.705 120.400 0.056 0.000 2.044 463 K HA -0.210 4.282 4.320 0.287 0.000 0.210 463 K C 1.415 177.831 176.600 -0.307 0.000 1.049 463 K CA 1.785 57.927 56.287 -0.243 0.000 0.927 463 K CB 0.266 32.669 32.500 -0.162 0.000 0.713 463 K HN -0.172 nan 8.250 nan 0.000 0.443 464 E N 0.374 120.485 120.200 -0.149 0.000 2.447 464 E HA 0.015 4.537 4.350 0.287 0.000 0.195 464 E C 0.090 176.635 176.600 -0.091 0.000 1.028 464 E CA 0.046 56.362 56.400 -0.139 0.000 0.876 464 E CB 0.241 29.875 29.700 -0.111 0.000 0.885 464 E HN 0.278 nan 8.360 nan 0.000 0.500 465 I N 2.594 123.155 120.570 -0.015 0.000 2.581 465 I HA -0.011 4.331 4.170 0.287 0.000 0.285 465 I C 0.610 176.724 176.117 -0.005 0.000 1.129 465 I CA 0.573 61.869 61.300 -0.006 0.000 1.397 465 I CB -0.532 37.560 38.000 0.154 0.000 1.399 465 I HN -0.262 nan 8.210 nan 0.000 0.537 466 K N 6.090 126.374 120.400 -0.193 0.000 2.443 466 K HA 0.611 5.102 4.320 0.287 0.000 0.251 466 K C -1.379 175.030 176.600 -0.319 0.000 0.972 466 K CA -0.678 55.547 56.287 -0.103 0.000 0.833 466 K CB 2.547 35.011 32.500 -0.059 0.000 1.317 466 K HN 0.157 nan 8.250 nan 0.000 0.441 467 F N 1.435 121.444 119.950 0.099 0.000 2.513 467 F HA 0.303 5.001 4.527 0.285 0.000 0.358 467 F C -0.386 175.418 175.800 0.007 0.000 1.118 467 F CA -0.569 57.475 58.000 0.075 0.000 1.037 467 F CB 1.573 40.657 39.000 0.139 0.000 1.276 467 F HN 0.297 nan 8.300 nan 0.000 0.446 468 E N 3.762 123.916 120.200 -0.077 0.000 2.283 468 E HA 0.554 5.076 4.350 0.287 0.000 0.258 468 E C -1.340 175.017 176.600 -0.405 0.000 0.893 468 E CA -0.502 55.827 56.400 -0.119 0.000 0.798 468 E CB 1.995 31.628 29.700 -0.112 0.000 1.242 468 E HN 0.317 nan 8.360 nan 0.000 0.414 469 F N 0.943 120.937 119.950 0.074 0.000 2.650 469 F HA 0.464 5.163 4.527 0.287 0.000 0.320 469 F C -1.977 173.850 175.800 0.045 0.000 1.091 469 F CA -2.296 55.738 58.000 0.057 0.000 0.962 469 F CB 0.603 39.639 39.000 0.061 0.000 1.363 469 F HN 0.241 nan 8.300 nan 0.000 0.482 470 P HA 0.318 nan 4.420 nan 0.000 0.263 470 P C -0.875 176.510 177.300 0.141 0.000 1.195 470 P CA -0.097 63.094 63.100 0.151 0.000 0.762 470 P CB 0.288 32.062 31.700 0.124 0.000 0.799 471 A N 3.293 126.178 122.820 0.109 0.000 2.287 471 A HA 0.423 4.914 4.320 0.287 0.000 0.273 471 A C 1.032 178.660 177.584 0.074 0.000 1.091 471 A CA -0.283 51.809 52.037 0.093 0.000 0.817 471 A CB 0.372 19.426 19.000 0.090 0.000 1.069 471 A HN 0.458 nan 8.150 nan 0.000 0.492 472 M N -0.126 119.513 119.600 0.065 0.000 2.691 472 M HA 0.117 4.769 4.480 0.287 0.000 0.261 472 M C 0.188 176.534 176.300 0.076 0.000 1.227 472 M CA 0.723 56.058 55.300 0.058 0.000 1.197 472 M CB -1.236 31.387 32.600 0.039 0.000 1.294 472 M HN 0.805 nan 8.290 nan 0.000 0.508 473 D N 2.544 123.001 120.400 0.095 0.000 2.396 473 D HA 0.320 5.132 4.640 0.287 0.000 0.225 473 D C -0.656 175.732 176.300 0.147 0.000 1.121 473 D CA 0.097 54.180 54.000 0.138 0.000 0.853 473 D CB 0.820 41.720 40.800 0.166 0.000 1.043 473 D HN 0.233 nan 8.370 nan 0.000 0.500 474 T N -0.227 114.400 114.554 0.122 0.000 2.887 474 T HA 0.730 5.252 4.350 0.287 0.000 0.292 474 T C -0.244 174.506 174.700 0.083 0.000 1.087 474 T CA -0.782 61.375 62.100 0.096 0.000 1.009 474 T CB 1.345 70.254 68.868 0.067 0.000 1.203 474 T HN 0.089 nan 8.240 nan 0.000 0.518 475 V N 0.000 119.947 119.914 0.054 0.000 2.409 475 V HA 0.000 4.292 4.120 0.287 0.000 0.244 475 V CA 0.000 62.316 62.300 0.028 0.000 1.235 475 V CB 0.000 31.823 31.823 -0.000 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556