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 3mqd_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRRVVVTGMG IVSSIGSNTE EVTASLREAK SGISRAEEYA ELGFRCQVHG DATA SEQUENCE APDIDIESLV DRRAMRFHGR GTAWNHIAMD QAIADAGLTE EEVSNERTGI DATA SEQUENCE IMGSGGPSTR TIVDSADITR EKGPKRVGPF AVPKAMSSTA SATLATFFKI DATA SEQUENCE KGINYSISSA CATSNHCIGN AYEMIQYGKQ DRMFAGGCED LDWTLSVLFD DATA SEQUENCE AMGAMSSKYN DTPSTASRAY DKNRDGFVIA GGAGVLVLED LETALARGAK DATA SEQUENCE IYGEIVGYGA TSDGYDMVAP SGEGAIRCMK MALSTVTSKI DYINPHATST DATA SEQUENCE PAGDAPEIEA IRQIFGAGDV CPPIAATKSL TGHSLGATGV QEAIYSLLMM DATA SEQUENCE QNNFICESAH IEELDPAFAD MPIVRKRIDN VQLNTVLSNS FGFGGTNATL DATA SEQUENCE VFQRYQG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.002 0.000 1.140 1 M CA 0.000 55.308 55.300 0.013 0.000 0.988 1 M CB 0.000 32.595 32.600 -0.009 0.000 1.302 2 R N 1.013 121.506 120.500 -0.011 0.000 2.582 2 R HA 0.567 4.911 4.340 0.006 0.000 0.271 2 R C -0.022 176.278 176.300 -0.000 0.000 1.078 2 R CA -0.622 55.474 56.100 -0.006 0.000 1.127 2 R CB 0.963 31.256 30.300 -0.012 0.000 1.038 2 R HN 0.521 nan 8.270 nan 0.000 0.500 3 R N 0.579 121.094 120.500 0.026 0.000 2.490 3 R HA 0.335 4.679 4.340 0.006 0.000 0.278 3 R C -0.643 175.685 176.300 0.047 0.000 1.069 3 R CA -0.404 55.732 56.100 0.059 0.000 1.080 3 R CB 1.030 31.369 30.300 0.065 0.000 1.030 3 R HN 0.245 nan 8.270 nan 0.000 0.491 4 V N 3.122 123.095 119.914 0.097 0.000 2.623 4 V HA 0.387 4.511 4.120 0.006 0.000 0.304 4 V C -0.375 175.741 176.094 0.037 0.000 1.054 4 V CA -0.820 61.531 62.300 0.084 0.000 0.882 4 V CB 1.794 33.758 31.823 0.235 0.000 1.002 4 V HN 0.618 nan 8.190 nan 0.000 0.424 5 V N 2.398 122.304 119.914 -0.015 0.000 3.001 5 V HA 0.793 4.917 4.120 0.006 0.000 0.314 5 V C -0.481 175.612 176.094 -0.002 0.000 1.099 5 V CA -0.944 61.341 62.300 -0.025 0.000 0.989 5 V CB 2.102 33.850 31.823 -0.126 0.000 1.040 5 V HN 0.473 nan 8.190 nan 0.000 0.434 6 V N 2.910 122.853 119.914 0.048 0.000 2.385 6 V HA 0.409 4.533 4.120 0.006 0.000 0.269 6 V C 1.304 177.472 176.094 0.124 0.000 1.043 6 V CA 0.656 62.998 62.300 0.071 0.000 0.906 6 V CB 0.795 32.673 31.823 0.091 0.000 0.995 6 V HN 1.193 nan 8.190 nan 0.000 0.467 7 T N 0.405 115.014 114.554 0.092 0.000 3.010 7 T HA 0.473 4.826 4.350 0.006 0.000 0.257 7 T C 0.569 175.396 174.700 0.211 0.000 1.020 7 T CA 0.373 62.540 62.100 0.113 0.000 0.938 7 T CB 0.573 69.443 68.868 0.005 0.000 1.049 7 T HN 0.973 nan 8.240 nan 0.000 0.522 8 G N 1.489 110.379 108.800 0.150 0.000 2.667 8 G HA2 0.593 4.556 3.960 0.006 0.000 0.294 8 G HA3 0.593 4.556 3.960 0.006 0.000 0.294 8 G C -1.416 173.413 174.900 -0.118 0.000 1.467 8 G CA -1.182 43.956 45.100 0.062 0.000 0.852 8 G HN 0.581 nan 8.290 nan 0.000 0.521 9 M N 0.239 119.706 119.600 -0.222 0.000 2.569 9 M HA 0.885 5.369 4.480 0.006 0.000 0.279 9 M C -0.418 175.785 176.300 -0.162 0.000 1.253 9 M CA -0.932 54.229 55.300 -0.232 0.000 0.867 9 M CB 2.426 34.796 32.600 -0.385 0.000 1.727 9 M HN 1.213 nan 8.290 nan 0.000 0.467 10 G N 1.387 110.110 108.800 -0.128 0.000 2.706 10 G HA2 0.802 4.766 3.960 0.006 0.000 0.297 10 G HA3 0.802 4.766 3.960 0.006 0.000 0.297 10 G C -2.320 172.523 174.900 -0.095 0.000 1.403 10 G CA -0.807 44.239 45.100 -0.090 0.000 0.954 10 G HN 0.995 nan 8.290 nan 0.000 0.500 11 I N 0.910 121.432 120.570 -0.080 0.000 2.775 11 I HA 0.566 4.740 4.170 0.006 0.000 0.295 11 I C -1.420 174.648 176.117 -0.081 0.000 1.287 11 I CA -0.907 60.340 61.300 -0.087 0.000 1.029 11 I CB 2.373 40.313 38.000 -0.100 0.000 1.282 11 I HN 0.337 nan 8.210 nan 0.000 0.426 12 V N 6.259 126.106 119.914 -0.112 0.000 2.376 12 V HA 0.648 4.772 4.120 0.006 0.000 0.287 12 V C -0.294 175.645 176.094 -0.257 0.000 1.015 12 V CA -0.277 61.900 62.300 -0.205 0.000 0.834 12 V CB 1.385 33.046 31.823 -0.270 0.000 1.001 12 V HN 0.787 nan 8.190 nan 0.000 0.428 13 S N 2.325 117.895 115.700 -0.217 0.000 2.627 13 S HA 0.428 4.902 4.470 0.006 0.000 0.283 13 S C 1.063 175.551 174.600 -0.187 0.000 1.127 13 S CA 0.099 58.201 58.200 -0.163 0.000 0.863 13 S CB 1.914 65.121 63.200 0.011 0.000 1.121 13 S HN 0.955 nan 8.310 nan 0.000 0.479 14 S N 0.795 116.405 115.700 -0.150 0.000 2.440 14 S HA -0.111 4.363 4.470 0.006 0.000 0.238 14 S C 1.445 175.987 174.600 -0.097 0.000 1.010 14 S CA 1.158 59.277 58.200 -0.134 0.000 0.972 14 S CB -1.148 61.997 63.200 -0.092 0.000 0.774 14 S HN 1.119 nan 8.310 nan 0.000 0.501 15 I N -2.599 117.923 120.570 -0.080 0.000 3.941 15 I HA 0.672 4.846 4.170 0.006 0.000 0.335 15 I C 0.585 176.661 176.117 -0.067 0.000 1.402 15 I CA -0.312 60.939 61.300 -0.083 0.000 1.112 15 I CB 0.200 38.123 38.000 -0.128 0.000 1.043 15 I HN 0.312 nan 8.210 nan 0.000 0.395 16 G N 0.016 108.775 108.800 -0.068 0.000 2.358 16 G HA2 0.128 4.091 3.960 0.006 0.000 0.303 16 G HA3 0.128 4.091 3.960 0.006 0.000 0.303 16 G C -0.373 174.482 174.900 -0.075 0.000 1.537 16 G CA -0.285 44.778 45.100 -0.060 0.000 0.928 16 G HN -0.107 nan 8.290 nan 0.000 0.656 17 S N -0.022 115.637 115.700 -0.069 0.000 2.556 17 S HA 0.236 4.709 4.470 0.006 0.000 0.216 17 S C 0.624 175.193 174.600 -0.051 0.000 0.970 17 S CA 0.677 58.831 58.200 -0.076 0.000 0.912 17 S CB -0.347 62.815 63.200 -0.063 0.000 0.790 17 S HN 1.092 nan 8.310 nan 0.000 0.504 18 N N -1.540 117.137 118.700 -0.039 0.000 3.227 18 N HA 0.093 4.837 4.740 0.006 0.000 0.241 18 N C 0.423 175.918 175.510 -0.025 0.000 1.480 18 N CA -0.127 52.905 53.050 -0.031 0.000 0.886 18 N CB 0.022 38.498 38.487 -0.019 0.000 1.406 18 N HN -0.108 nan 8.380 nan 0.000 0.514 19 T N -3.402 111.134 114.554 -0.031 0.000 2.915 19 T HA -0.056 4.297 4.350 0.006 0.000 0.269 19 T C 0.929 175.628 174.700 -0.001 0.000 1.071 19 T CA 1.123 63.208 62.100 -0.026 0.000 1.132 19 T CB -0.296 68.533 68.868 -0.065 0.000 0.878 19 T HN 0.458 nan 8.240 nan 0.000 0.479 20 E N 1.626 121.826 120.200 0.000 0.000 2.072 20 E HA -0.078 4.275 4.350 0.006 0.000 0.191 20 E C 2.317 178.918 176.600 0.002 0.000 0.985 20 E CA 1.187 57.592 56.400 0.008 0.000 0.801 20 E CB -0.234 29.469 29.700 0.006 0.000 0.750 20 E HN 0.742 nan 8.360 nan 0.000 0.452 21 E N 0.452 120.647 120.200 -0.008 0.000 2.072 21 E HA -0.111 4.243 4.350 0.006 0.000 0.191 21 E C 2.253 178.843 176.600 -0.017 0.000 0.985 21 E CA 0.915 57.304 56.400 -0.018 0.000 0.801 21 E CB 0.027 29.712 29.700 -0.027 0.000 0.750 21 E HN 0.011 nan 8.360 nan 0.000 0.452 22 V N 1.309 121.221 119.914 -0.003 0.000 2.343 22 V HA -0.256 3.868 4.120 0.006 0.000 0.247 22 V C 2.312 178.412 176.094 0.009 0.000 1.051 22 V CA 2.141 64.445 62.300 0.006 0.000 1.036 22 V CB -0.701 31.172 31.823 0.084 0.000 0.654 22 V HN 0.342 nan 8.190 nan 0.000 0.451 23 T N 0.449 115.028 114.554 0.042 0.000 2.684 23 T HA -0.206 4.148 4.350 0.006 0.000 0.267 23 T C 2.057 176.793 174.700 0.061 0.000 1.036 23 T CA 1.728 63.885 62.100 0.095 0.000 1.148 23 T CB -0.462 68.469 68.868 0.105 0.000 0.863 23 T HN 0.583 nan 8.240 nan 0.000 0.436 24 A N 1.264 124.085 122.820 0.001 0.000 1.902 24 A HA -0.095 4.229 4.320 0.006 0.000 0.217 24 A C 2.622 180.169 177.584 -0.062 0.000 1.181 24 A CA 1.960 53.970 52.037 -0.044 0.000 0.623 24 A CB -0.861 18.114 19.000 -0.041 0.000 0.818 24 A HN 0.443 nan 8.150 nan 0.000 0.443 25 S N -0.119 115.549 115.700 -0.055 0.000 2.368 25 S HA -0.092 4.382 4.470 0.006 0.000 0.225 25 S C 1.824 176.372 174.600 -0.086 0.000 1.030 25 S CA 1.436 59.590 58.200 -0.076 0.000 0.999 25 S CB -0.453 62.694 63.200 -0.089 0.000 0.844 25 S HN 0.512 nan 8.310 nan 0.000 0.459 26 L N 0.860 122.049 121.223 -0.057 0.000 2.017 26 L HA -0.076 4.268 4.340 0.006 0.000 0.208 26 L C 2.768 179.650 176.870 0.021 0.000 1.073 26 L CA 1.328 56.168 54.840 0.001 0.000 0.745 26 L CB -0.427 41.689 42.059 0.095 0.000 0.894 26 L HN 0.221 nan 8.230 nan 0.000 0.432 27 R N 0.004 120.435 120.500 -0.116 0.000 2.115 27 R HA -0.127 4.217 4.340 0.006 0.000 0.230 27 R C 1.501 177.635 176.300 -0.276 0.000 1.111 27 R CA 1.091 56.898 56.100 -0.489 0.000 0.976 27 R CB 0.170 30.037 30.300 -0.723 0.000 0.870 27 R HN 0.280 nan 8.270 nan 0.000 0.445 28 E N -0.347 119.750 120.200 -0.172 0.000 2.474 28 E HA 0.109 4.463 4.350 0.006 0.000 0.195 28 E C 0.203 176.744 176.600 -0.097 0.000 1.039 28 E CA 0.514 56.838 56.400 -0.127 0.000 0.881 28 E CB 0.822 30.461 29.700 -0.103 0.000 0.970 28 E HN 0.354 nan 8.360 nan 0.000 0.486 29 A N 1.823 124.582 122.820 -0.101 0.000 2.560 29 A HA -0.277 4.047 4.320 0.006 0.000 0.299 29 A C -0.083 177.457 177.584 -0.073 0.000 1.484 29 A CA 0.907 52.881 52.037 -0.104 0.000 0.749 29 A CB -2.088 16.842 19.000 -0.117 0.000 1.072 29 A HN 0.181 nan 8.150 nan 0.000 0.426 30 K N 0.993 121.354 120.400 -0.065 0.000 2.284 30 K HA 0.386 4.709 4.320 0.006 0.000 0.287 30 K C 0.573 177.161 176.600 -0.021 0.000 1.081 30 K CA 0.257 56.523 56.287 -0.035 0.000 0.910 30 K CB 1.144 33.617 32.500 -0.045 0.000 1.088 30 K HN 0.488 nan 8.250 nan 0.000 0.478 31 S N 1.611 117.333 115.700 0.037 0.000 2.562 31 S HA 0.120 4.594 4.470 0.006 0.000 0.281 31 S C 1.135 175.742 174.600 0.012 0.000 1.333 31 S CA -0.422 57.819 58.200 0.067 0.000 1.052 31 S CB 0.569 63.850 63.200 0.136 0.000 0.884 31 S HN 0.765 nan 8.310 nan 0.000 0.506 32 G N 3.958 112.758 108.800 -0.000 0.000 3.284 32 G HA2 0.232 4.196 3.960 0.006 0.000 0.236 32 G HA3 0.232 4.196 3.960 0.006 0.000 0.236 32 G C 0.095 174.992 174.900 -0.005 0.000 1.158 32 G CA -0.212 44.876 45.100 -0.021 0.000 0.774 32 G HN 0.591 nan 8.290 nan 0.000 0.545 33 I N 1.974 122.555 120.570 0.019 0.000 2.385 33 I HA 0.460 4.634 4.170 0.006 0.000 0.294 33 I C 0.331 176.472 176.117 0.041 0.000 0.988 33 I CA -1.044 60.281 61.300 0.041 0.000 1.265 33 I CB 0.915 38.938 38.000 0.038 0.000 1.388 33 I HN 0.103 nan 8.210 nan 0.000 0.480 34 S N 5.856 121.613 115.700 0.095 0.000 2.661 34 S HA 0.654 5.127 4.470 0.006 0.000 0.285 34 S C -0.404 174.230 174.600 0.057 0.000 1.138 34 S CA -1.065 57.182 58.200 0.079 0.000 0.855 34 S CB 2.200 65.454 63.200 0.089 0.000 1.136 34 S HN 0.613 nan 8.310 nan 0.000 0.484 35 R N 0.315 120.803 120.500 -0.021 0.000 2.537 35 R HA 0.491 4.835 4.340 0.006 0.000 0.280 35 R C -0.217 175.892 176.300 -0.318 0.000 1.058 35 R CA 0.198 56.221 56.100 -0.128 0.000 1.057 35 R CB 0.201 30.447 30.300 -0.090 0.000 0.973 35 R HN 0.842 nan 8.270 nan 0.000 0.438 36 A N 4.319 126.780 122.820 -0.598 0.000 2.690 36 A HA 0.135 4.459 4.320 0.006 0.000 0.342 36 A C 0.617 177.858 177.584 -0.571 0.000 1.410 36 A CA -0.596 50.816 52.037 -1.041 0.000 0.958 36 A CB 0.733 18.603 19.000 -1.883 0.000 1.153 36 A HN 1.007 nan 8.150 nan 0.000 0.497 37 E N 1.639 121.633 120.200 -0.343 0.000 2.160 37 E HA -0.238 4.116 4.350 0.006 0.000 0.195 37 E C 1.605 178.079 176.600 -0.210 0.000 0.991 37 E CA 2.029 58.304 56.400 -0.209 0.000 0.810 37 E CB 0.016 29.639 29.700 -0.129 0.000 0.742 37 E HN 0.815 nan 8.360 nan 0.000 0.466 38 E N -1.274 118.778 120.200 -0.247 0.000 2.110 38 E HA -0.217 4.136 4.350 0.006 0.000 0.193 38 E C 1.472 177.935 176.600 -0.229 0.000 0.988 38 E CA 1.065 57.350 56.400 -0.191 0.000 0.804 38 E CB -0.154 29.481 29.700 -0.108 0.000 0.745 38 E HN 0.372 nan 8.360 nan 0.000 0.458 39 Y N 0.217 120.193 120.300 -0.539 0.000 2.181 39 Y HA -0.124 4.430 4.550 0.006 0.000 0.288 39 Y C 2.407 178.011 175.900 -0.494 0.000 1.146 39 Y CA 0.804 58.321 58.100 -0.971 0.000 1.164 39 Y CB -1.307 36.618 38.460 -0.893 0.000 0.982 39 Y HN 0.151 nan 8.280 nan 0.000 0.515 40 A N 0.259 123.007 122.820 -0.120 0.000 1.883 40 A HA -0.227 4.097 4.320 0.006 0.000 0.217 40 A C 2.162 179.708 177.584 -0.063 0.000 1.186 40 A CA 1.881 53.885 52.037 -0.056 0.000 0.624 40 A CB -0.753 18.210 19.000 -0.060 0.000 0.822 40 A HN 0.514 nan 8.150 nan 0.000 0.444 41 E N -0.381 119.755 120.200 -0.106 0.000 2.153 41 E HA -0.120 4.234 4.350 0.006 0.000 0.194 41 E C 1.581 178.117 176.600 -0.106 0.000 0.988 41 E CA 1.047 57.386 56.400 -0.101 0.000 0.811 41 E CB -0.236 29.392 29.700 -0.120 0.000 0.746 41 E HN 0.624 nan 8.360 nan 0.000 0.466 42 L N -0.643 120.495 121.223 -0.142 0.000 2.599 42 L HA 0.126 4.470 4.340 0.006 0.000 0.230 42 L C 1.259 178.173 176.870 0.072 0.000 1.141 42 L CA 0.355 55.133 54.840 -0.102 0.000 0.877 42 L CB 0.157 42.098 42.059 -0.198 0.000 1.009 42 L HN 0.303 nan 8.230 nan 0.000 0.447 43 G N -0.897 107.958 108.800 0.092 0.000 2.132 43 G HA2 -0.265 3.699 3.960 0.006 0.000 0.234 43 G HA3 -0.265 3.699 3.960 0.006 0.000 0.234 43 G C 0.123 175.158 174.900 0.225 0.000 0.989 43 G CA -0.597 44.573 45.100 0.118 0.000 0.676 43 G HN 0.052 nan 8.290 nan 0.000 0.522 44 F N -0.183 119.759 119.950 -0.014 0.000 2.490 44 F HA 0.549 5.080 4.527 0.006 0.000 0.336 44 F C 2.035 177.838 175.800 0.005 0.000 1.178 44 F CA 0.336 58.331 58.000 -0.008 0.000 1.301 44 F CB 0.095 39.093 39.000 -0.003 0.000 1.175 44 F HN 0.285 nan 8.300 nan 0.000 0.593 45 R N 1.092 121.691 120.500 0.164 0.000 2.057 45 R HA -0.042 4.302 4.340 0.006 0.000 0.229 45 R C 1.063 177.443 176.300 0.134 0.000 1.136 45 R CA 1.290 57.452 56.100 0.103 0.000 0.952 45 R CB -1.230 29.096 30.300 0.044 0.000 0.848 45 R HN 0.741 nan 8.270 nan 0.000 0.430 46 C N 1.467 120.874 119.300 0.179 0.000 2.576 46 C HA 0.431 4.895 4.460 0.006 0.000 0.401 46 C C 0.341 175.511 174.990 0.300 0.000 1.314 46 C CA -0.087 59.050 59.018 0.198 0.000 1.855 46 C CB -0.120 27.722 27.740 0.170 0.000 2.537 46 C HN 0.711 nan 8.230 nan 0.000 0.578 47 Q N 4.361 124.268 119.800 0.179 0.000 2.158 47 Q HA 0.347 4.691 4.340 0.006 0.000 0.306 47 Q C -0.374 175.602 176.000 -0.039 0.000 0.878 47 Q CA -0.197 55.659 55.803 0.088 0.000 1.136 47 Q CB 0.923 29.675 28.738 0.022 0.000 1.253 47 Q HN 0.800 nan 8.270 nan 0.000 0.441 48 V N -2.907 117.026 119.914 0.032 0.000 3.078 48 V HA 0.770 4.894 4.120 0.006 0.000 0.311 48 V C -0.837 175.305 176.094 0.080 0.000 1.138 48 V CA -0.872 61.420 62.300 -0.013 0.000 1.007 48 V CB 1.887 33.745 31.823 0.058 0.000 1.045 48 V HN 0.468 nan 8.190 nan 0.000 0.432 49 H N 0.017 119.095 119.070 0.012 0.000 3.003 49 H HA 0.739 5.299 4.556 0.006 0.000 0.327 49 H C -0.549 174.796 175.328 0.028 0.000 1.353 49 H CA -0.810 55.271 56.048 0.054 0.000 1.142 49 H CB 2.035 31.810 29.762 0.021 0.000 1.864 49 H HN 1.106 nan 8.280 nan 0.000 0.529 50 G N 0.439 109.311 108.800 0.120 0.000 2.716 50 G HA2 0.554 4.518 3.960 0.006 0.000 0.333 50 G HA3 0.554 4.518 3.960 0.006 0.000 0.333 50 G C -0.572 174.228 174.900 -0.168 0.000 1.168 50 G CA -0.167 44.919 45.100 -0.023 0.000 1.064 50 G HN 0.773 nan 8.290 nan 0.000 0.479 51 A N 4.541 127.168 122.820 -0.321 0.000 2.260 51 A HA 0.810 5.134 4.320 0.006 0.000 0.314 51 A C -2.153 175.273 177.584 -0.262 0.000 1.257 51 A CA -1.407 50.418 52.037 -0.354 0.000 0.871 51 A CB 0.892 19.576 19.000 -0.526 0.000 1.166 51 A HN 0.475 nan 8.150 nan 0.000 0.522 52 P HA 0.145 nan 4.420 nan 0.000 0.269 52 P C -0.782 176.407 177.300 -0.186 0.000 1.211 52 P CA 0.306 63.175 63.100 -0.387 0.000 0.781 52 P CB 0.504 31.693 31.700 -0.851 0.000 0.877 53 D N 1.910 122.226 120.400 -0.140 0.000 2.408 53 D HA 0.499 5.143 4.640 0.006 0.000 0.261 53 D C -1.333 174.944 176.300 -0.037 0.000 1.190 53 D CA -0.233 53.733 54.000 -0.055 0.000 0.910 53 D CB -0.368 40.401 40.800 -0.051 0.000 1.097 53 D HN 0.197 nan 8.370 nan 0.000 0.522 54 I N 1.588 122.168 120.570 0.017 0.000 2.775 54 I HA 0.246 4.420 4.170 0.006 0.000 0.295 54 I C -1.613 174.559 176.117 0.092 0.000 1.287 54 I CA -0.748 60.575 61.300 0.039 0.000 1.029 54 I CB 2.214 40.219 38.000 0.009 0.000 1.282 54 I HN 0.028 nan 8.210 nan 0.000 0.426 55 D N 7.390 127.825 120.400 0.058 0.000 2.468 55 D HA 0.289 4.933 4.640 0.006 0.000 0.218 55 D C 1.078 177.404 176.300 0.042 0.000 1.155 55 D CA -0.015 54.013 54.000 0.047 0.000 0.924 55 D CB 0.659 41.472 40.800 0.023 0.000 1.029 55 D HN 0.495 nan 8.370 nan 0.000 0.515 56 I N 2.797 123.398 120.570 0.053 0.000 2.208 56 I HA -0.278 3.895 4.170 0.006 0.000 0.245 56 I C 2.530 178.624 176.117 -0.038 0.000 1.097 56 I CA 1.627 62.933 61.300 0.010 0.000 1.363 56 I CB -0.210 37.769 38.000 -0.036 0.000 1.051 56 I HN 0.481 nan 8.210 nan 0.000 0.413 57 E N 0.547 120.727 120.200 -0.034 0.000 2.265 57 E HA -0.214 4.140 4.350 0.006 0.000 0.196 57 E C 2.138 178.716 176.600 -0.037 0.000 0.996 57 E CA 1.388 57.761 56.400 -0.045 0.000 0.832 57 E CB -0.864 28.816 29.700 -0.033 0.000 0.756 57 E HN 0.695 nan 8.360 nan 0.000 0.491 58 S N -0.886 114.802 115.700 -0.020 0.000 2.489 58 S HA 0.164 4.637 4.470 0.006 0.000 0.228 58 S C 1.776 176.367 174.600 -0.015 0.000 0.995 58 S CA 0.981 59.173 58.200 -0.013 0.000 0.934 58 S CB 0.000 63.200 63.200 -0.001 0.000 0.771 58 S HN 0.474 nan 8.310 nan 0.000 0.522 59 L N 0.483 121.689 121.223 -0.029 0.000 2.840 59 L HA 0.441 4.785 4.340 0.006 0.000 0.249 59 L C -0.726 176.093 176.870 -0.085 0.000 1.119 59 L CA -0.117 54.706 54.840 -0.028 0.000 0.930 59 L CB 1.190 43.247 42.059 -0.004 0.000 1.295 59 L HN 0.128 nan 8.230 nan 0.000 0.534 60 V N 0.582 120.406 119.914 -0.150 0.000 2.525 60 V HA 0.223 4.347 4.120 0.006 0.000 0.299 60 V C -0.935 175.040 176.094 -0.199 0.000 1.034 60 V CA -1.100 61.025 62.300 -0.292 0.000 0.863 60 V CB 1.738 33.288 31.823 -0.456 0.000 0.999 60 V HN 0.195 nan 8.190 nan 0.000 0.423 61 D N 3.364 123.662 120.400 -0.169 0.000 2.377 61 D HA 0.226 4.870 4.640 0.006 0.000 0.245 61 D C 1.119 177.358 176.300 -0.103 0.000 1.196 61 D CA -0.625 53.320 54.000 -0.093 0.000 0.962 61 D CB 1.036 41.814 40.800 -0.036 0.000 1.127 61 D HN 0.305 nan 8.370 nan 0.000 0.471 62 R N -0.092 120.364 120.500 -0.073 0.000 2.091 62 R HA -0.131 4.213 4.340 0.006 0.000 0.238 62 R C 1.996 178.234 176.300 -0.103 0.000 1.136 62 R CA 1.591 57.643 56.100 -0.081 0.000 0.959 62 R CB -0.331 29.933 30.300 -0.059 0.000 0.856 62 R HN 0.470 nan 8.270 nan 0.000 0.437 63 R N 0.139 120.592 120.500 -0.078 0.000 2.115 63 R HA 0.117 4.461 4.340 0.006 0.000 0.230 63 R C 1.842 178.088 176.300 -0.089 0.000 1.111 63 R CA 1.637 57.680 56.100 -0.095 0.000 0.976 63 R CB -0.775 29.499 30.300 -0.043 0.000 0.870 63 R HN 0.308 nan 8.270 nan 0.000 0.445 64 A N 0.003 122.791 122.820 -0.054 0.000 2.019 64 A HA -0.089 4.235 4.320 0.006 0.000 0.219 64 A C 1.812 179.306 177.584 -0.149 0.000 1.164 64 A CA 1.428 53.396 52.037 -0.115 0.000 0.644 64 A CB -0.327 18.456 19.000 -0.363 0.000 0.805 64 A HN 0.268 nan 8.150 nan 0.000 0.449 65 M N -0.994 118.528 119.600 -0.131 0.000 2.595 65 M HA 0.056 4.540 4.480 0.006 0.000 0.248 65 M C 1.860 178.058 176.300 -0.170 0.000 1.119 65 M CA 0.586 55.845 55.300 -0.069 0.000 1.079 65 M CB -0.999 31.545 32.600 -0.093 0.000 1.472 65 M HN 0.620 nan 8.290 nan 0.000 0.501 66 R N 0.158 120.456 120.500 -0.336 0.000 2.117 66 R HA -0.175 4.169 4.340 0.006 0.000 0.243 66 R C 0.678 176.541 176.300 -0.727 0.000 1.143 66 R CA 1.750 57.449 56.100 -0.668 0.000 0.968 66 R CB 0.007 29.654 30.300 -1.089 0.000 0.863 66 R HN 0.202 nan 8.270 nan 0.000 0.444 67 F N -0.518 119.279 119.950 -0.255 0.000 2.654 67 F HA 0.279 4.810 4.527 0.006 0.000 0.303 67 F C -0.077 175.617 175.800 -0.178 0.000 1.099 67 F CA -0.447 57.435 58.000 -0.196 0.000 1.270 67 F CB 0.330 39.206 39.000 -0.206 0.000 1.024 67 F HN -0.065 nan 8.300 nan 0.000 0.548 68 H N 0.020 119.113 119.070 0.038 0.000 2.489 68 H HA 0.478 5.038 4.556 0.006 0.000 0.322 68 H C 0.681 175.985 175.328 -0.040 0.000 1.091 68 H CA -0.488 55.560 56.048 -0.000 0.000 1.291 68 H CB 1.306 31.029 29.762 -0.065 0.000 1.436 68 H HN 0.251 nan 8.280 nan 0.000 0.480 69 G N 1.465 110.334 108.800 0.115 0.000 2.616 69 G HA2 0.061 4.025 3.960 0.006 0.000 0.268 69 G HA3 0.061 4.025 3.960 0.006 0.000 0.268 69 G C 1.150 175.965 174.900 -0.142 0.000 1.213 69 G CA -0.474 44.620 45.100 -0.010 0.000 0.926 69 G HN 0.666 nan 8.290 nan 0.000 0.523 70 R N -0.655 119.676 120.500 -0.282 0.000 2.092 70 R HA -0.036 4.308 4.340 0.006 0.000 0.231 70 R C 2.520 178.337 176.300 -0.805 0.000 1.119 70 R CA 1.859 57.593 56.100 -0.610 0.000 0.970 70 R CB -0.732 29.146 30.300 -0.704 0.000 0.864 70 R HN 0.579 nan 8.270 nan 0.000 0.440 71 G N -0.447 108.089 108.800 -0.439 0.000 2.418 71 G HA2 -0.300 3.664 3.960 0.006 0.000 0.217 71 G HA3 -0.300 3.664 3.960 0.006 0.000 0.217 71 G C 1.472 176.355 174.900 -0.027 0.000 1.158 71 G CA 1.283 46.297 45.100 -0.144 0.000 0.771 71 G HN 0.555 nan 8.290 nan 0.000 0.545 72 T N -1.150 113.380 114.554 -0.041 0.000 3.023 72 T HA 0.336 4.690 4.350 0.006 0.000 0.266 72 T C 2.504 177.020 174.700 -0.307 0.000 1.093 72 T CA 1.404 63.516 62.100 0.021 0.000 1.129 72 T CB -0.123 68.898 68.868 0.255 0.000 0.899 72 T HN 0.306 nan 8.240 nan 0.000 0.491 73 A N 1.284 123.803 122.820 -0.503 0.000 1.902 73 A HA 0.013 4.337 4.320 0.006 0.000 0.217 73 A C 2.207 179.669 177.584 -0.203 0.000 1.181 73 A CA 1.207 52.868 52.037 -0.626 0.000 0.623 73 A CB -1.205 17.503 19.000 -0.487 0.000 0.818 73 A HN 0.654 nan 8.150 nan 0.000 0.443 74 W N 0.346 121.559 121.300 -0.146 0.000 2.342 74 W HA -0.129 4.535 4.660 0.006 0.000 0.297 74 W C 2.187 178.672 176.519 -0.057 0.000 1.213 74 W CA 1.104 58.400 57.345 -0.082 0.000 1.251 74 W CB -1.181 28.249 29.460 -0.050 0.000 1.136 74 W HN 0.434 nan 8.180 nan 0.000 0.526 75 N N -0.596 118.205 118.700 0.169 0.000 2.188 75 N HA -0.186 4.558 4.740 0.006 0.000 0.184 75 N C 1.653 177.219 175.510 0.092 0.000 1.018 75 N CA 1.630 54.743 53.050 0.106 0.000 0.858 75 N CB -0.609 37.935 38.487 0.096 0.000 0.989 75 N HN 0.327 nan 8.380 nan 0.000 0.426 76 H N -0.087 118.955 119.070 -0.046 0.000 2.321 76 H HA 0.023 4.583 4.556 0.006 0.000 0.300 76 H C 2.186 177.537 175.328 0.040 0.000 1.087 76 H CA 1.774 57.835 56.048 0.021 0.000 1.319 76 H CB 0.023 29.695 29.762 -0.151 0.000 1.379 76 H HN 0.154 nan 8.280 nan 0.000 0.501 77 I N 0.448 121.143 120.570 0.207 0.000 2.163 77 I HA -0.293 3.880 4.170 0.006 0.000 0.243 77 I C 2.797 178.966 176.117 0.086 0.000 1.085 77 I CA 1.066 62.451 61.300 0.142 0.000 1.347 77 I CB -0.435 37.627 38.000 0.104 0.000 1.044 77 I HN 0.417 nan 8.210 nan 0.000 0.408 78 A N 0.264 123.117 122.820 0.055 0.000 1.933 78 A HA -0.254 4.070 4.320 0.006 0.000 0.218 78 A C 2.376 179.934 177.584 -0.044 0.000 1.175 78 A CA 1.880 53.916 52.037 -0.001 0.000 0.628 78 A CB -0.619 18.375 19.000 -0.010 0.000 0.814 78 A HN 0.462 nan 8.150 nan 0.000 0.444 79 M N -0.599 118.946 119.600 -0.092 0.000 2.132 79 M HA -0.147 4.337 4.480 0.006 0.000 0.263 79 M C 1.352 177.498 176.300 -0.256 0.000 1.065 79 M CA 2.036 57.161 55.300 -0.291 0.000 1.122 79 M CB -0.232 32.006 32.600 -0.603 0.000 1.365 79 M HN 0.317 nan 8.290 nan 0.000 0.411 80 D N 0.181 120.556 120.400 -0.042 0.000 2.104 80 D HA -0.211 4.433 4.640 0.006 0.000 0.194 80 D C 2.006 178.332 176.300 0.043 0.000 0.994 80 D CA 1.536 55.591 54.000 0.092 0.000 0.830 80 D CB -0.400 40.532 40.800 0.220 0.000 0.959 80 D HN 0.571 nan 8.370 nan 0.000 0.452 81 Q N 0.187 120.001 119.800 0.024 0.000 2.050 81 Q HA -0.093 4.250 4.340 0.006 0.000 0.202 81 Q C 2.239 178.239 176.000 0.001 0.000 0.980 81 Q CA 1.464 57.274 55.803 0.012 0.000 0.840 81 Q CB -0.121 28.613 28.738 -0.006 0.000 0.898 81 Q HN 0.224 nan 8.270 nan 0.000 0.424 82 A N 0.751 123.561 122.820 -0.018 0.000 1.898 82 A HA -0.161 4.163 4.320 0.006 0.000 0.216 82 A C 2.025 179.644 177.584 0.058 0.000 1.181 82 A CA 1.078 53.118 52.037 0.004 0.000 0.620 82 A CB -0.582 18.428 19.000 0.016 0.000 0.819 82 A HN 0.300 nan 8.150 nan 0.000 0.442 83 I N -0.277 120.320 120.570 0.046 0.000 2.226 83 I HA -0.277 3.897 4.170 0.006 0.000 0.245 83 I C 2.955 179.121 176.117 0.082 0.000 1.100 83 I CA 1.079 62.433 61.300 0.089 0.000 1.374 83 I CB -0.284 37.733 38.000 0.027 0.000 1.057 83 I HN 0.357 nan 8.210 nan 0.000 0.413 84 A N 0.216 123.075 122.820 0.066 0.000 1.898 84 A HA -0.276 4.048 4.320 0.006 0.000 0.216 84 A C 2.020 179.642 177.584 0.064 0.000 1.181 84 A CA 2.164 54.240 52.037 0.065 0.000 0.620 84 A CB -0.637 18.399 19.000 0.060 0.000 0.819 84 A HN 0.426 nan 8.150 nan 0.000 0.442 85 D N 0.033 120.470 120.400 0.062 0.000 2.117 85 D HA -0.035 4.609 4.640 0.006 0.000 0.197 85 D C 1.919 178.284 176.300 0.109 0.000 0.987 85 D CA 1.599 55.649 54.000 0.083 0.000 0.829 85 D CB -0.223 40.610 40.800 0.055 0.000 0.961 85 D HN 0.320 nan 8.370 nan 0.000 0.460 86 A N -0.677 122.200 122.820 0.095 0.000 2.119 86 A HA 0.330 4.654 4.320 0.006 0.000 0.217 86 A C 1.852 179.474 177.584 0.063 0.000 1.153 86 A CA 1.271 53.359 52.037 0.085 0.000 0.692 86 A CB -0.650 18.393 19.000 0.072 0.000 0.799 86 A HN 0.518 nan 8.150 nan 0.000 0.458 87 G N -0.856 107.984 108.800 0.065 0.000 2.221 87 G HA2 -0.223 3.741 3.960 0.006 0.000 0.265 87 G HA3 -0.223 3.741 3.960 0.006 0.000 0.265 87 G C 0.021 174.953 174.900 0.054 0.000 1.041 87 G CA 0.353 45.485 45.100 0.054 0.000 0.807 87 G HN 0.475 nan 8.290 nan 0.000 0.502 88 L N 1.164 122.429 121.223 0.071 0.000 2.426 88 L HA 0.445 4.789 4.340 0.006 0.000 0.271 88 L C 1.671 178.586 176.870 0.075 0.000 1.169 88 L CA -0.001 54.885 54.840 0.076 0.000 0.836 88 L CB 0.622 42.752 42.059 0.118 0.000 1.112 88 L HN 0.438 nan 8.230 nan 0.000 0.465 89 T N -1.810 112.781 114.554 0.062 0.000 2.788 89 T HA 0.109 4.463 4.350 0.006 0.000 0.287 89 T C 0.907 175.650 174.700 0.071 0.000 1.007 89 T CA -0.609 61.525 62.100 0.057 0.000 1.005 89 T CB 1.021 69.913 68.868 0.041 0.000 1.012 89 T HN 0.655 nan 8.240 nan 0.000 0.530 90 E N 0.396 120.632 120.200 0.061 0.000 2.110 90 E HA -0.159 4.195 4.350 0.006 0.000 0.193 90 E C 2.072 178.707 176.600 0.059 0.000 0.988 90 E CA 1.406 57.843 56.400 0.062 0.000 0.804 90 E CB -0.070 29.652 29.700 0.037 0.000 0.745 90 E HN 0.742 nan 8.360 nan 0.000 0.458 91 E N 0.867 121.094 120.200 0.045 0.000 2.110 91 E HA -0.170 4.183 4.350 0.006 0.000 0.193 91 E C 1.687 178.318 176.600 0.051 0.000 0.988 91 E CA 0.965 57.388 56.400 0.040 0.000 0.804 91 E CB -0.030 29.686 29.700 0.027 0.000 0.745 91 E HN 0.288 nan 8.360 nan 0.000 0.458 92 E N -0.101 120.134 120.200 0.059 0.000 2.208 92 E HA -0.097 4.257 4.350 0.006 0.000 0.193 92 E C 1.847 178.516 176.600 0.115 0.000 0.988 92 E CA 0.737 57.175 56.400 0.063 0.000 0.828 92 E CB 0.176 29.907 29.700 0.051 0.000 0.763 92 E HN 0.082 nan 8.360 nan 0.000 0.478 93 V N 0.221 120.232 119.914 0.162 0.000 2.407 93 V HA -0.086 4.038 4.120 0.006 0.000 0.245 93 V C 1.262 177.478 176.094 0.204 0.000 1.041 93 V CA 1.048 63.504 62.300 0.259 0.000 1.040 93 V CB 0.326 32.267 31.823 0.196 0.000 0.671 93 V HN 0.029 nan 8.190 nan 0.000 0.455 94 S N 1.670 117.442 115.700 0.119 0.000 2.505 94 S HA 0.545 5.019 4.470 0.006 0.000 0.280 94 S C -0.520 174.114 174.600 0.057 0.000 1.197 94 S CA -0.630 57.619 58.200 0.082 0.000 1.138 94 S CB -0.562 62.668 63.200 0.050 0.000 1.010 94 S HN 0.839 nan 8.310 nan 0.000 0.480 95 N N 1.391 120.125 118.700 0.057 0.000 2.961 95 N HA 0.254 4.998 4.740 0.006 0.000 0.245 95 N C -0.082 175.447 175.510 0.031 0.000 1.404 95 N CA -0.919 52.152 53.050 0.036 0.000 0.880 95 N CB 0.293 38.797 38.487 0.030 0.000 1.461 95 N HN 0.196 nan 8.380 nan 0.000 0.510 96 E N -0.794 119.419 120.200 0.021 0.000 2.338 96 E HA -0.032 4.322 4.350 0.006 0.000 0.197 96 E C 0.524 177.132 176.600 0.014 0.000 1.007 96 E CA 0.625 57.036 56.400 0.018 0.000 0.849 96 E CB 0.045 29.754 29.700 0.014 0.000 0.774 96 E HN 0.326 nan 8.360 nan 0.000 0.506 97 R N 0.367 120.872 120.500 0.009 0.000 2.317 97 R HA 0.133 4.477 4.340 0.006 0.000 0.208 97 R C 0.030 176.322 176.300 -0.014 0.000 0.914 97 R CA 0.329 56.427 56.100 -0.003 0.000 1.060 97 R CB 0.446 30.742 30.300 -0.007 0.000 1.015 97 R HN -0.061 nan 8.270 nan 0.000 0.498 98 T N 0.100 114.655 114.554 0.002 0.000 2.840 98 T HA 0.628 4.982 4.350 0.006 0.000 0.287 98 T C 0.039 174.762 174.700 0.038 0.000 0.991 98 T CA -0.555 61.542 62.100 -0.004 0.000 0.964 98 T CB 2.354 71.240 68.868 0.031 0.000 0.954 98 T HN 0.248 nan 8.240 nan 0.000 0.438 99 G N 1.458 110.265 108.800 0.011 0.000 3.140 99 G HA2 0.862 4.826 3.960 0.006 0.000 0.271 99 G HA3 0.862 4.826 3.960 0.006 0.000 0.271 99 G C -1.589 173.359 174.900 0.079 0.000 1.370 99 G CA -0.724 44.390 45.100 0.024 0.000 1.014 99 G HN 0.785 nan 8.290 nan 0.000 0.541 100 I N -0.392 120.189 120.570 0.017 0.000 2.610 100 I HA 0.547 4.721 4.170 0.006 0.000 0.289 100 I C -1.528 174.534 176.117 -0.091 0.000 1.163 100 I CA -1.010 60.314 61.300 0.040 0.000 1.044 100 I CB 1.785 39.834 38.000 0.082 0.000 1.251 100 I HN 0.322 nan 8.210 nan 0.000 0.424 101 I N 8.215 128.741 120.570 -0.072 0.000 2.448 101 I HA 0.446 4.620 4.170 0.006 0.000 0.281 101 I C -0.964 175.162 176.117 0.015 0.000 1.027 101 I CA -0.407 60.843 61.300 -0.083 0.000 1.111 101 I CB 1.767 39.692 38.000 -0.124 0.000 1.236 101 I HN 0.505 nan 8.210 nan 0.000 0.452 102 M N 5.353 124.983 119.600 0.050 0.000 2.224 102 M HA 0.715 5.199 4.480 0.006 0.000 0.281 102 M C -0.694 175.659 176.300 0.087 0.000 1.025 102 M CA -0.180 55.158 55.300 0.063 0.000 0.954 102 M CB 2.039 34.673 32.600 0.056 0.000 1.639 102 M HN 0.508 nan 8.290 nan 0.000 0.461 103 G N 1.487 110.341 108.800 0.089 0.000 2.658 103 G HA2 0.868 4.832 3.960 0.006 0.000 0.292 103 G HA3 0.868 4.832 3.960 0.006 0.000 0.292 103 G C -1.719 173.236 174.900 0.091 0.000 1.320 103 G CA -0.636 44.523 45.100 0.099 0.000 0.933 103 G HN 0.871 nan 8.290 nan 0.000 0.476 104 S N -1.431 114.324 115.700 0.091 0.000 2.546 104 S HA 0.598 5.072 4.470 0.006 0.000 0.274 104 S C 0.963 175.613 174.600 0.084 0.000 1.121 104 S CA 0.040 58.293 58.200 0.088 0.000 0.887 104 S CB 1.641 64.894 63.200 0.088 0.000 1.094 104 S HN 1.302 nan 8.310 nan 0.000 0.474 105 G N 0.627 109.476 108.800 0.080 0.000 2.443 105 G HA2 0.419 4.383 3.960 0.006 0.000 0.219 105 G HA3 0.419 4.383 3.960 0.006 0.000 0.219 105 G C 0.593 175.541 174.900 0.080 0.000 1.131 105 G CA 0.441 45.588 45.100 0.079 0.000 0.775 105 G HN 1.232 nan 8.290 nan 0.000 0.547 106 G N -1.051 107.796 108.800 0.078 0.000 2.725 106 G HA2 0.663 4.627 3.960 0.006 0.000 0.288 106 G HA3 0.663 4.627 3.960 0.006 0.000 0.288 106 G C -2.941 171.996 174.900 0.061 0.000 1.399 106 G CA -0.866 44.274 45.100 0.065 0.000 0.859 106 G HN 0.011 nan 8.290 nan 0.000 0.479 107 P HA 0.281 nan 4.420 nan 0.000 0.338 107 P C 0.120 177.439 177.300 0.032 0.000 1.308 107 P CA -0.276 62.850 63.100 0.044 0.000 0.753 107 P CB 0.880 32.603 31.700 0.038 0.000 1.579 108 S N -0.353 115.361 115.700 0.023 0.000 2.700 108 S HA 0.085 4.559 4.470 0.006 0.000 0.321 108 S C 1.436 176.025 174.600 -0.017 0.000 1.161 108 S CA 0.074 58.274 58.200 0.000 0.000 1.078 108 S CB -1.497 61.703 63.200 -0.000 0.000 1.302 108 S HN 0.497 nan 8.310 nan 0.000 0.540 109 T N 3.261 117.797 114.554 -0.030 0.000 2.803 109 T HA -0.197 4.156 4.350 0.006 0.000 0.269 109 T C 1.819 176.454 174.700 -0.109 0.000 1.052 109 T CA 1.132 63.192 62.100 -0.067 0.000 1.136 109 T CB -0.285 68.535 68.868 -0.080 0.000 0.864 109 T HN 0.586 nan 8.240 nan 0.000 0.467 110 R N 1.477 121.912 120.500 -0.109 0.000 2.083 110 R HA -0.078 4.266 4.340 0.006 0.000 0.237 110 R C 2.461 178.719 176.300 -0.070 0.000 1.137 110 R CA 2.294 58.322 56.100 -0.120 0.000 0.951 110 R CB -1.303 28.945 30.300 -0.087 0.000 0.851 110 R HN 0.445 nan 8.270 nan 0.000 0.434 111 T N 0.812 115.343 114.554 -0.039 0.000 2.684 111 T HA -0.116 4.237 4.350 0.006 0.000 0.267 111 T C 1.827 176.518 174.700 -0.014 0.000 1.036 111 T CA 1.792 63.885 62.100 -0.013 0.000 1.148 111 T CB -0.238 68.636 68.868 0.011 0.000 0.863 111 T HN 0.188 nan 8.240 nan 0.000 0.436 112 I N 0.668 121.224 120.570 -0.024 0.000 2.179 112 I HA -0.166 4.008 4.170 0.006 0.000 0.242 112 I C 2.484 178.583 176.117 -0.030 0.000 1.088 112 I CA 1.024 62.311 61.300 -0.021 0.000 1.357 112 I CB -0.445 37.539 38.000 -0.025 0.000 1.051 112 I HN 0.094 nan 8.210 nan 0.000 0.409 113 V N 0.563 120.441 119.914 -0.060 0.000 2.307 113 V HA -0.272 3.852 4.120 0.006 0.000 0.245 113 V C 2.060 178.142 176.094 -0.019 0.000 1.045 113 V CA 1.954 64.219 62.300 -0.058 0.000 1.024 113 V CB -0.665 31.074 31.823 -0.140 0.000 0.651 113 V HN 0.374 nan 8.190 nan 0.000 0.449 114 D N 0.167 120.556 120.400 -0.018 0.000 2.149 114 D HA -0.128 4.516 4.640 0.006 0.000 0.198 114 D C 2.446 178.752 176.300 0.010 0.000 0.990 114 D CA 1.686 55.691 54.000 0.008 0.000 0.839 114 D CB -0.235 40.570 40.800 0.008 0.000 0.948 114 D HN 0.375 nan 8.370 nan 0.000 0.460 115 S N 0.293 115.995 115.700 0.003 0.000 2.368 115 S HA -0.114 4.360 4.470 0.006 0.000 0.224 115 S C 2.110 176.714 174.600 0.006 0.000 1.029 115 S CA 1.065 59.267 58.200 0.004 0.000 0.988 115 S CB -0.238 62.965 63.200 0.005 0.000 0.838 115 S HN 0.374 nan 8.310 nan 0.000 0.462 116 A N 2.139 124.963 122.820 0.006 0.000 1.902 116 A HA -0.182 4.142 4.320 0.006 0.000 0.217 116 A C 1.832 179.427 177.584 0.017 0.000 1.181 116 A CA 1.828 53.871 52.037 0.010 0.000 0.623 116 A CB -0.756 18.249 19.000 0.008 0.000 0.818 116 A HN 0.356 nan 8.150 nan 0.000 0.443 117 D N -0.474 119.940 120.400 0.025 0.000 2.084 117 D HA -0.125 4.519 4.640 0.006 0.000 0.194 117 D C 1.740 178.055 176.300 0.026 0.000 0.990 117 D CA 1.292 55.313 54.000 0.035 0.000 0.826 117 D CB -0.401 40.430 40.800 0.051 0.000 0.971 117 D HN 0.371 nan 8.370 nan 0.000 0.453 118 I N 0.730 121.312 120.570 0.020 0.000 2.394 118 I HA -0.193 3.981 4.170 0.006 0.000 0.251 118 I C 2.035 178.157 176.117 0.008 0.000 1.136 118 I CA 1.207 62.515 61.300 0.013 0.000 1.425 118 I CB -0.353 37.652 38.000 0.008 0.000 1.079 118 I HN -0.090 nan 8.210 nan 0.000 0.425 119 T N 0.512 115.070 114.554 0.007 0.000 2.665 119 T HA -0.227 4.127 4.350 0.006 0.000 0.268 119 T C 2.061 176.765 174.700 0.006 0.000 1.035 119 T CA 1.745 63.847 62.100 0.004 0.000 1.151 119 T CB -0.226 68.644 68.868 0.004 0.000 0.862 119 T HN 0.359 nan 8.240 nan 0.000 0.438 120 R N 0.548 121.055 120.500 0.011 0.000 2.115 120 R HA 0.024 4.368 4.340 0.006 0.000 0.226 120 R C 2.523 178.831 176.300 0.013 0.000 1.100 120 R CA 1.076 57.184 56.100 0.013 0.000 0.980 120 R CB -0.053 30.257 30.300 0.017 0.000 0.875 120 R HN 0.528 nan 8.270 nan 0.000 0.445 121 E N 0.022 120.230 120.200 0.014 0.000 2.086 121 E HA -0.044 4.310 4.350 0.006 0.000 0.190 121 E C 1.229 177.835 176.600 0.009 0.000 0.975 121 E CA 0.746 57.155 56.400 0.014 0.000 0.813 121 E CB 0.378 30.090 29.700 0.018 0.000 0.768 121 E HN 0.018 nan 8.360 nan 0.000 0.457 122 K N -0.830 119.574 120.400 0.006 0.000 2.481 122 K HA 0.262 4.586 4.320 0.006 0.000 0.210 122 K C 0.167 176.766 176.600 -0.002 0.000 1.161 122 K CA 0.583 56.871 56.287 0.002 0.000 1.023 122 K CB 2.083 34.583 32.500 0.001 0.000 0.971 122 K HN 0.188 nan 8.250 nan 0.000 0.577 123 G N 2.243 111.042 108.800 -0.001 0.000 2.587 123 G HA2 -0.131 3.833 3.960 0.006 0.000 0.686 123 G HA3 -0.131 3.833 3.960 0.006 0.000 0.686 123 G C -2.562 172.333 174.900 -0.008 0.000 1.236 123 G CA -0.758 44.339 45.100 -0.004 0.000 0.820 123 G HN -0.231 nan 8.290 nan 0.000 0.645 124 P HA -0.088 nan 4.420 nan 0.000 0.216 124 P C 1.731 179.019 177.300 -0.020 0.000 1.150 124 P CA 1.714 64.807 63.100 -0.011 0.000 0.837 124 P CB 0.073 31.768 31.700 -0.009 0.000 0.786 125 K N 0.034 120.420 120.400 -0.024 0.000 2.152 125 K HA -0.148 4.176 4.320 0.006 0.000 0.206 125 K C 1.996 178.569 176.600 -0.045 0.000 1.048 125 K CA 1.064 57.329 56.287 -0.036 0.000 0.933 125 K CB -0.081 32.399 32.500 -0.033 0.000 0.721 125 K HN -0.129 nan 8.250 nan 0.000 0.447 126 R N 0.498 120.978 120.500 -0.033 0.000 2.316 126 R HA -0.033 4.311 4.340 0.006 0.000 0.202 126 R C 1.920 178.200 176.300 -0.033 0.000 1.029 126 R CA 0.407 56.488 56.100 -0.032 0.000 1.018 126 R CB -0.304 29.985 30.300 -0.019 0.000 0.888 126 R HN 0.135 nan 8.270 nan 0.000 0.471 127 V N 0.402 120.296 119.914 -0.032 0.000 2.469 127 V HA -0.133 3.991 4.120 0.006 0.000 0.251 127 V C 1.367 177.429 176.094 -0.053 0.000 1.064 127 V CA 1.494 63.776 62.300 -0.029 0.000 1.066 127 V CB -1.062 30.750 31.823 -0.020 0.000 0.667 127 V HN 0.644 nan 8.190 nan 0.000 0.461 128 G N 0.411 109.155 108.800 -0.093 0.000 2.829 128 G HA2 -0.153 3.811 3.960 0.006 0.000 0.628 128 G HA3 -0.153 3.811 3.960 0.006 0.000 0.628 128 G C -1.502 173.265 174.900 -0.222 0.000 1.412 128 G CA -0.070 44.920 45.100 -0.185 0.000 0.864 128 G HN 0.297 nan 8.290 nan 0.000 0.544 129 P HA 0.332 nan 4.420 nan 0.000 0.268 129 P C 0.388 177.595 177.300 -0.154 0.000 1.329 129 P CA 0.400 63.278 63.100 -0.370 0.000 0.899 129 P CB 0.121 31.509 31.700 -0.521 0.000 1.378 130 F N -0.594 119.396 119.950 0.067 0.000 2.683 130 F HA 0.466 4.997 4.527 0.006 0.000 0.306 130 F C 1.977 177.872 175.800 0.159 0.000 1.102 130 F CA -0.880 57.200 58.000 0.133 0.000 1.244 130 F CB -0.739 38.173 39.000 -0.146 0.000 1.029 130 F HN -0.093 nan 8.300 nan 0.000 0.545 131 A N -0.188 122.767 122.820 0.226 0.000 1.970 131 A HA 0.031 4.355 4.320 0.006 0.000 0.216 131 A C 2.217 179.887 177.584 0.142 0.000 1.170 131 A CA 1.250 53.377 52.037 0.150 0.000 0.645 131 A CB -0.721 18.324 19.000 0.075 0.000 0.816 131 A HN 0.111 nan 8.150 nan 0.000 0.447 132 V N 0.756 120.753 119.914 0.139 0.000 2.255 132 V HA -0.181 3.943 4.120 0.006 0.000 0.247 132 V C -0.237 175.905 176.094 0.080 0.000 1.051 132 V CA 2.604 64.957 62.300 0.088 0.000 1.018 132 V CB -1.542 30.318 31.823 0.063 0.000 0.641 132 V HN 0.384 nan 8.190 nan 0.000 0.445 133 P HA -0.099 nan 4.420 nan 0.000 0.222 133 P C 1.410 178.763 177.300 0.089 0.000 1.147 133 P CA 1.202 64.329 63.100 0.044 0.000 0.790 133 P CB -0.045 31.617 31.700 -0.064 0.000 0.780 134 K N -0.626 119.851 120.400 0.129 0.000 2.116 134 K HA 0.094 4.418 4.320 0.006 0.000 0.203 134 K C 2.023 178.664 176.600 0.068 0.000 1.052 134 K CA 1.254 57.602 56.287 0.102 0.000 0.952 134 K CB -0.366 32.195 32.500 0.101 0.000 0.729 134 K HN 0.036 nan 8.250 nan 0.000 0.446 135 A N 1.950 124.806 122.820 0.061 0.000 2.081 135 A HA 0.074 4.398 4.320 0.006 0.000 0.214 135 A C 1.257 178.863 177.584 0.037 0.000 1.158 135 A CA -0.028 52.033 52.037 0.041 0.000 0.724 135 A CB -0.392 18.629 19.000 0.035 0.000 0.826 135 A HN 0.320 nan 8.150 nan 0.000 0.463 136 M N -1.411 118.213 119.600 0.040 0.000 2.241 136 M HA 0.348 4.832 4.480 0.006 0.000 0.335 136 M C 0.555 176.880 176.300 0.041 0.000 1.122 136 M CA 0.234 55.555 55.300 0.035 0.000 1.164 136 M CB 0.604 33.220 32.600 0.028 0.000 1.459 136 M HN -0.068 nan 8.290 nan 0.000 0.461 137 S N 0.861 116.585 115.700 0.040 0.000 2.447 137 S HA -0.094 4.380 4.470 0.006 0.000 0.233 137 S C 1.542 176.178 174.600 0.060 0.000 1.006 137 S CA 1.488 59.717 58.200 0.048 0.000 0.957 137 S CB -0.375 62.851 63.200 0.043 0.000 0.773 137 S HN 0.902 nan 8.310 nan 0.000 0.507 138 S N 0.456 116.191 115.700 0.058 0.000 2.671 138 S HA 0.072 4.546 4.470 0.006 0.000 0.220 138 S C 1.446 176.087 174.600 0.069 0.000 0.951 138 S CA 0.511 58.753 58.200 0.071 0.000 0.932 138 S CB -0.313 62.927 63.200 0.068 0.000 0.777 138 S HN 0.384 nan 8.310 nan 0.000 0.508 139 T N 2.278 116.873 114.554 0.068 0.000 2.653 139 T HA -0.196 4.158 4.350 0.006 0.000 0.268 139 T C 1.952 176.713 174.700 0.102 0.000 1.035 139 T CA 1.917 64.063 62.100 0.077 0.000 1.154 139 T CB -0.862 68.057 68.868 0.084 0.000 0.862 139 T HN 0.675 nan 8.240 nan 0.000 0.441 140 A N 0.805 123.690 122.820 0.108 0.000 1.933 140 A HA -0.038 4.286 4.320 0.006 0.000 0.218 140 A C 2.680 180.329 177.584 0.109 0.000 1.175 140 A CA 2.453 54.563 52.037 0.121 0.000 0.628 140 A CB -0.906 18.157 19.000 0.105 0.000 0.814 140 A HN 0.759 nan 8.150 nan 0.000 0.444 141 S N -0.074 115.681 115.700 0.093 0.000 2.377 141 S HA 0.170 4.644 4.470 0.006 0.000 0.223 141 S C 2.153 176.796 174.600 0.072 0.000 1.030 141 S CA 1.085 59.332 58.200 0.079 0.000 0.970 141 S CB -0.675 62.574 63.200 0.081 0.000 0.830 141 S HN 0.821 nan 8.310 nan 0.000 0.473 142 A N 2.561 125.417 122.820 0.060 0.000 1.877 142 A HA -0.057 4.267 4.320 0.006 0.000 0.216 142 A C 2.597 180.192 177.584 0.020 0.000 1.186 142 A CA 2.426 54.478 52.037 0.025 0.000 0.620 142 A CB -1.816 17.180 19.000 -0.006 0.000 0.822 142 A HN 0.778 nan 8.150 nan 0.000 0.443 143 T N -2.039 112.540 114.554 0.043 0.000 2.737 143 T HA -0.098 4.256 4.350 0.006 0.000 0.265 143 T C 1.653 176.433 174.700 0.133 0.000 1.038 143 T CA 1.581 63.699 62.100 0.030 0.000 1.144 143 T CB -0.444 68.421 68.868 -0.005 0.000 0.866 143 T HN 0.078 nan 8.240 nan 0.000 0.434 144 L N 1.858 123.197 121.223 0.193 0.000 2.109 144 L HA 0.343 4.687 4.340 0.006 0.000 0.207 144 L C 3.154 180.178 176.870 0.255 0.000 1.086 144 L CA 1.321 56.328 54.840 0.278 0.000 0.760 144 L CB -1.578 40.573 42.059 0.153 0.000 0.910 144 L HN 0.435 nan 8.230 nan 0.000 0.437 145 A N -1.231 121.668 122.820 0.132 0.000 1.908 145 A HA -0.212 4.112 4.320 0.006 0.000 0.218 145 A C 2.387 180.022 177.584 0.085 0.000 1.181 145 A CA 2.366 54.461 52.037 0.096 0.000 0.627 145 A CB -0.952 18.083 19.000 0.058 0.000 0.818 145 A HN 0.427 nan 8.150 nan 0.000 0.445 146 T N -1.186 113.409 114.554 0.068 0.000 2.701 146 T HA -0.078 4.276 4.350 0.006 0.000 0.263 146 T C 1.647 176.357 174.700 0.016 0.000 1.040 146 T CA 1.493 63.608 62.100 0.026 0.000 1.147 146 T CB -0.371 68.491 68.868 -0.010 0.000 0.865 146 T HN 0.465 nan 8.240 nan 0.000 0.426 147 F N 0.895 120.793 119.950 -0.086 0.000 2.146 147 F HA 0.063 4.594 4.527 0.007 0.000 0.298 147 F C 1.285 176.863 175.800 -0.370 0.000 1.096 147 F CA 1.051 58.915 58.000 -0.226 0.000 1.275 147 F CB -0.262 38.562 39.000 -0.293 0.000 1.008 147 F HN 0.096 nan 8.300 nan 0.000 0.480 148 F N 0.913 120.855 119.950 -0.013 0.000 2.797 148 F HA 0.188 4.719 4.527 0.007 0.000 0.302 148 F C 0.841 176.567 175.800 -0.123 0.000 1.130 148 F CA 0.134 58.066 58.000 -0.114 0.000 1.387 148 F CB -0.602 38.308 39.000 -0.149 0.000 1.107 148 F HN -0.166 nan 8.300 nan 0.000 0.577 149 K N 0.582 120.977 120.400 -0.008 0.000 3.125 149 K HA -0.179 4.144 4.320 0.006 0.000 0.268 149 K C -0.451 176.171 176.600 0.038 0.000 1.078 149 K CA -0.042 56.235 56.287 -0.017 0.000 0.775 149 K CB -1.826 30.638 32.500 -0.059 0.000 1.253 149 K HN 0.117 nan 8.250 nan 0.000 0.486 150 I N 1.372 121.982 120.570 0.066 0.000 2.648 150 I HA -0.036 4.137 4.170 0.006 0.000 0.284 150 I C 1.505 177.653 176.117 0.052 0.000 1.153 150 I CA 0.547 61.894 61.300 0.079 0.000 1.426 150 I CB 0.876 38.931 38.000 0.091 0.000 1.381 150 I HN 0.137 nan 8.210 nan 0.000 0.571 151 K N 4.167 124.598 120.400 0.051 0.000 2.391 151 K HA 0.216 4.540 4.320 0.006 0.000 0.197 151 K C 1.010 177.628 176.600 0.030 0.000 1.087 151 K CA 0.129 56.437 56.287 0.034 0.000 1.012 151 K CB 0.772 33.289 32.500 0.028 0.000 0.925 151 K HN 0.744 nan 8.250 nan 0.000 0.547 152 G N 1.805 110.624 108.800 0.032 0.000 3.137 152 G HA2 0.229 4.193 3.960 0.006 0.000 0.163 152 G HA3 0.229 4.193 3.960 0.006 0.000 0.163 152 G C 0.201 175.107 174.900 0.009 0.000 1.602 152 G CA -0.541 44.571 45.100 0.019 0.000 1.067 152 G HN -0.055 nan 8.290 nan 0.000 0.568 153 I N 1.599 122.157 120.570 -0.020 0.000 2.752 153 I HA 0.096 4.270 4.170 0.006 0.000 0.287 153 I C -0.275 175.785 176.117 -0.094 0.000 1.188 153 I CA 0.315 61.574 61.300 -0.069 0.000 1.427 153 I CB 0.749 38.653 38.000 -0.160 0.000 1.365 153 I HN 0.450 nan 8.210 nan 0.000 0.585 154 N N 6.711 125.359 118.700 -0.088 0.000 2.629 154 N HA 0.380 5.124 4.740 0.006 0.000 0.277 154 N C -1.477 174.070 175.510 0.063 0.000 1.188 154 N CA -0.426 52.599 53.050 -0.042 0.000 0.835 154 N CB 0.792 39.296 38.487 0.028 0.000 1.420 154 N HN 0.460 nan 8.380 nan 0.000 0.542 155 Y N -0.811 119.516 120.300 0.046 0.000 2.750 155 Y HA 0.702 5.255 4.550 0.006 0.000 0.335 155 Y C -1.325 174.604 175.900 0.048 0.000 1.252 155 Y CA -1.155 56.970 58.100 0.041 0.000 1.064 155 Y CB 0.368 38.850 38.460 0.037 0.000 1.321 155 Y HN 0.118 nan 8.280 nan 0.000 0.451 156 S N 1.296 117.209 115.700 0.354 0.000 2.482 156 S HA 0.718 5.192 4.470 0.006 0.000 0.303 156 S C -0.748 174.004 174.600 0.254 0.000 1.091 156 S CA -0.669 57.675 58.200 0.240 0.000 1.057 156 S CB 0.889 64.177 63.200 0.147 0.000 1.031 156 S HN 0.535 nan 8.310 nan 0.000 0.485 157 I N 2.818 123.521 120.570 0.223 0.000 2.437 157 I HA 0.432 4.606 4.170 0.006 0.000 0.298 157 I C 0.194 176.389 176.117 0.130 0.000 0.984 157 I CA -0.256 61.141 61.300 0.161 0.000 1.214 157 I CB 1.683 39.793 38.000 0.184 0.000 1.365 157 I HN 0.659 nan 8.210 nan 0.000 0.469 158 S N 2.562 118.321 115.700 0.098 0.000 2.548 158 S HA 0.707 5.181 4.470 0.006 0.000 0.286 158 S C -0.284 174.377 174.600 0.102 0.000 1.098 158 S CA -0.525 57.737 58.200 0.104 0.000 0.930 158 S CB 1.846 65.097 63.200 0.086 0.000 1.070 158 S HN 0.668 nan 8.310 nan 0.000 0.480 159 S N 0.132 115.917 115.700 0.143 0.000 2.665 159 S HA 0.627 5.101 4.470 0.006 0.000 0.226 159 S C 0.620 175.326 174.600 0.175 0.000 0.773 159 S CA -0.070 58.234 58.200 0.174 0.000 1.041 159 S CB -0.665 62.706 63.200 0.284 0.000 1.570 159 S HN 2.344 nan 8.310 nan 0.000 0.470 160 A N 0.839 123.736 122.820 0.129 0.000 5.382 160 A HA -0.340 3.984 4.320 0.006 0.000 0.307 160 A C 1.743 179.370 177.584 0.073 0.000 1.937 160 A CA 1.211 53.300 52.037 0.087 0.000 0.715 160 A CB -2.305 16.757 19.000 0.103 0.000 1.293 160 A HN 1.498 nan 8.150 nan 0.000 0.374 161 C N 0.099 119.433 119.300 0.056 0.000 2.419 161 C HA 0.255 4.719 4.460 0.006 0.000 0.283 161 C C 2.960 178.022 174.990 0.121 0.000 1.373 161 C CA 1.454 60.547 59.018 0.125 0.000 1.781 161 C CB -1.981 25.901 27.740 0.237 0.000 1.886 161 C HN 1.494 nan 8.230 nan 0.000 0.520 162 A N 0.331 123.225 122.820 0.124 0.000 2.208 162 A HA 0.051 4.375 4.320 0.006 0.000 0.209 162 A C 1.995 179.660 177.584 0.134 0.000 1.161 162 A CA 1.307 53.398 52.037 0.091 0.000 0.782 162 A CB -0.708 18.373 19.000 0.135 0.000 0.816 162 A HN 0.512 nan 8.150 nan 0.000 0.477 163 T N 1.210 115.862 114.554 0.163 0.000 2.565 163 T HA -0.235 4.119 4.350 0.006 0.000 0.265 163 T C 2.257 177.042 174.700 0.142 0.000 1.082 163 T CA 2.546 64.750 62.100 0.174 0.000 1.173 163 T CB -0.412 68.530 68.868 0.123 0.000 0.864 163 T HN 0.806 nan 8.240 nan 0.000 0.425 164 S N 0.981 116.729 115.700 0.079 0.000 2.496 164 S HA 0.032 4.506 4.470 0.006 0.000 0.224 164 S C 1.827 176.438 174.600 0.019 0.000 0.996 164 S CA 0.456 58.685 58.200 0.049 0.000 0.927 164 S CB -0.315 62.899 63.200 0.023 0.000 0.774 164 S HN 0.287 nan 8.310 nan 0.000 0.524 165 N N 2.216 120.913 118.700 -0.005 0.000 2.106 165 N HA -0.021 4.723 4.740 0.006 0.000 0.188 165 N C 1.490 176.970 175.510 -0.050 0.000 1.029 165 N CA 1.578 54.594 53.050 -0.057 0.000 0.848 165 N CB -0.616 37.805 38.487 -0.110 0.000 1.007 165 N HN 0.654 nan 8.380 nan 0.000 0.423 166 H N -1.116 118.010 119.070 0.094 0.000 2.387 166 H HA 0.015 4.575 4.556 0.006 0.000 0.299 166 H C 2.067 177.414 175.328 0.032 0.000 1.090 166 H CA 1.280 57.402 56.048 0.123 0.000 1.332 166 H CB -0.087 29.781 29.762 0.178 0.000 1.386 166 H HN 0.223 nan 8.280 nan 0.000 0.516 167 C N 0.287 119.677 119.300 0.150 0.000 2.413 167 C HA -0.157 4.307 4.460 0.006 0.000 0.276 167 C C 2.709 177.695 174.990 -0.007 0.000 1.236 167 C CA 0.944 60.012 59.018 0.084 0.000 1.735 167 C CB -0.880 26.905 27.740 0.075 0.000 2.031 167 C HN 0.511 nan 8.230 nan 0.000 0.474 168 I N 1.077 121.614 120.570 -0.054 0.000 2.179 168 I HA -0.104 4.070 4.170 0.006 0.000 0.242 168 I C 2.733 178.704 176.117 -0.243 0.000 1.088 168 I CA 1.826 63.061 61.300 -0.108 0.000 1.357 168 I CB -0.904 37.050 38.000 -0.076 0.000 1.051 168 I HN 0.447 nan 8.210 nan 0.000 0.409 169 G N 0.293 108.792 108.800 -0.502 0.000 2.418 169 G HA2 -0.296 3.668 3.960 0.006 0.000 0.217 169 G HA3 -0.296 3.668 3.960 0.006 0.000 0.217 169 G C 1.440 175.994 174.900 -0.577 0.000 1.158 169 G CA 0.923 45.315 45.100 -1.181 0.000 0.771 169 G HN 0.442 nan 8.290 nan 0.000 0.545 170 N N 0.744 119.323 118.700 -0.202 0.000 2.188 170 N HA -0.052 4.692 4.740 0.006 0.000 0.184 170 N C 2.538 178.024 175.510 -0.039 0.000 1.018 170 N CA 0.919 53.980 53.050 0.017 0.000 0.858 170 N CB -0.110 38.473 38.487 0.161 0.000 0.989 170 N HN 0.255 nan 8.380 nan 0.000 0.426 171 A N 0.512 123.295 122.820 -0.062 0.000 1.902 171 A HA -0.200 4.124 4.320 0.006 0.000 0.217 171 A C 2.018 179.566 177.584 -0.060 0.000 1.181 171 A CA 1.096 53.090 52.037 -0.071 0.000 0.623 171 A CB -1.117 17.841 19.000 -0.069 0.000 0.818 171 A HN 0.600 nan 8.150 nan 0.000 0.443 172 Y N 1.135 121.306 120.300 -0.215 0.000 2.081 172 Y HA -0.257 4.297 4.550 0.006 0.000 0.280 172 Y C 2.135 177.884 175.900 -0.251 0.000 1.163 172 Y CA 2.248 60.217 58.100 -0.217 0.000 1.135 172 Y CB -0.689 37.617 38.460 -0.257 0.000 0.970 172 Y HN 0.513 nan 8.280 nan 0.000 0.498 173 E N -0.256 119.696 120.200 -0.414 0.000 2.085 173 E HA -0.266 4.088 4.350 0.006 0.000 0.194 173 E C 2.242 178.334 176.600 -0.847 0.000 0.994 173 E CA 1.869 57.795 56.400 -0.790 0.000 0.801 173 E CB -0.322 29.038 29.700 -0.566 0.000 0.743 173 E HN 0.556 nan 8.360 nan 0.000 0.453 174 M N 0.130 119.511 119.600 -0.366 0.000 2.213 174 M HA -0.150 4.334 4.480 0.006 0.000 0.263 174 M C 2.166 178.390 176.300 -0.126 0.000 1.062 174 M CA 1.249 56.458 55.300 -0.152 0.000 1.105 174 M CB -0.170 32.402 32.600 -0.046 0.000 1.385 174 M HN 0.139 nan 8.290 nan 0.000 0.417 175 I N -0.484 119.985 120.570 -0.168 0.000 2.277 175 I HA -0.246 3.928 4.170 0.006 0.000 0.243 175 I C 2.438 178.474 176.117 -0.136 0.000 1.094 175 I CA 1.071 62.302 61.300 -0.114 0.000 1.393 175 I CB -0.498 37.454 38.000 -0.081 0.000 1.078 175 I HN 0.324 nan 8.210 nan 0.000 0.417 176 Q N 0.204 119.838 119.800 -0.277 0.000 2.096 176 Q HA -0.246 4.098 4.340 0.006 0.000 0.208 176 Q C 2.094 178.050 176.000 -0.074 0.000 0.993 176 Q CA 1.885 57.529 55.803 -0.264 0.000 0.862 176 Q CB -0.235 28.186 28.738 -0.527 0.000 0.915 176 Q HN 0.502 nan 8.270 nan 0.000 0.416 177 Y N -0.948 119.296 120.300 -0.093 0.000 2.571 177 Y HA 0.070 4.624 4.550 0.006 0.000 0.294 177 Y C 1.778 177.655 175.900 -0.039 0.000 1.141 177 Y CA 0.825 58.891 58.100 -0.056 0.000 1.308 177 Y CB -0.319 38.117 38.460 -0.041 0.000 1.002 177 Y HN 0.290 nan 8.280 nan 0.000 0.551 178 G N -0.273 108.588 108.800 0.102 0.000 2.143 178 G HA2 -0.323 3.641 3.960 0.006 0.000 0.249 178 G HA3 -0.323 3.641 3.960 0.006 0.000 0.249 178 G C 1.363 176.294 174.900 0.053 0.000 0.981 178 G CA 0.546 45.678 45.100 0.054 0.000 0.665 178 G HN 0.402 nan 8.290 nan 0.000 0.528 179 K N -0.913 119.535 120.400 0.079 0.000 2.186 179 K HA 0.086 4.410 4.320 0.006 0.000 0.202 179 K C 0.939 177.555 176.600 0.027 0.000 1.052 179 K CA 0.843 57.168 56.287 0.063 0.000 0.965 179 K CB 0.050 32.614 32.500 0.105 0.000 0.746 179 K HN 0.431 nan 8.250 nan 0.000 0.457 180 Q N -0.279 119.524 119.800 0.005 0.000 2.421 180 Q HA 0.139 4.483 4.340 0.006 0.000 0.280 180 Q C -0.581 175.398 176.000 -0.036 0.000 1.085 180 Q CA -0.315 55.476 55.803 -0.020 0.000 0.807 180 Q CB 2.039 30.754 28.738 -0.038 0.000 1.405 180 Q HN -0.007 nan 8.270 nan 0.000 0.419 181 D N 0.243 120.617 120.400 -0.044 0.000 2.388 181 D HA 0.074 4.718 4.640 0.006 0.000 0.208 181 D C 0.264 176.511 176.300 -0.088 0.000 1.035 181 D CA 0.526 54.493 54.000 -0.055 0.000 0.875 181 D CB 1.359 42.135 40.800 -0.041 0.000 0.984 181 D HN 0.255 nan 8.370 nan 0.000 0.508 182 R N 0.119 120.549 120.500 -0.117 0.000 2.651 182 R HA 0.436 4.780 4.340 0.006 0.000 0.278 182 R C -1.545 174.605 176.300 -0.250 0.000 1.010 182 R CA -0.503 55.475 56.100 -0.203 0.000 0.896 182 R CB 1.575 31.735 30.300 -0.233 0.000 1.211 182 R HN -0.214 nan 8.270 nan 0.000 0.456 183 M N 4.173 123.574 119.600 -0.332 0.000 2.446 183 M HA 0.386 4.870 4.480 0.006 0.000 0.294 183 M C -1.395 174.625 176.300 -0.467 0.000 1.158 183 M CA -0.640 54.482 55.300 -0.297 0.000 0.899 183 M CB 1.898 34.404 32.600 -0.157 0.000 1.687 183 M HN 0.462 nan 8.290 nan 0.000 0.455 184 F N 1.662 121.563 119.950 -0.081 0.000 2.405 184 F HA 0.711 5.241 4.527 0.006 0.000 0.355 184 F C 0.505 176.254 175.800 -0.084 0.000 1.121 184 F CA -0.495 57.448 58.000 -0.095 0.000 1.112 184 F CB 1.174 40.096 39.000 -0.129 0.000 1.126 184 F HN 0.616 nan 8.300 nan 0.000 0.481 185 A N 2.214 125.073 122.820 0.063 0.000 2.449 185 A HA 0.962 5.286 4.320 0.006 0.000 0.302 185 A C -0.096 177.497 177.584 0.015 0.000 1.048 185 A CA 0.004 52.053 52.037 0.019 0.000 0.708 185 A CB 1.588 20.576 19.000 -0.020 0.000 1.274 185 A HN 1.165 nan 8.150 nan 0.000 0.410 186 G N -0.511 108.299 108.800 0.016 0.000 2.403 186 G HA2 0.710 4.674 3.960 0.006 0.000 0.223 186 G HA3 0.710 4.674 3.960 0.006 0.000 0.223 186 G C -0.045 174.871 174.900 0.027 0.000 1.287 186 G CA 0.529 45.633 45.100 0.007 0.000 0.982 186 G HN 2.535 nan 8.290 nan 0.000 0.471 187 G N -2.065 106.751 108.800 0.027 0.000 2.321 187 G HA2 0.738 4.702 3.960 0.006 0.000 0.296 187 G HA3 0.738 4.702 3.960 0.006 0.000 0.296 187 G C -0.572 174.363 174.900 0.059 0.000 1.287 187 G CA 0.838 45.969 45.100 0.051 0.000 0.846 187 G HN 2.562 nan 8.290 nan 0.000 0.508 188 C N -1.929 117.422 119.300 0.084 0.000 3.320 188 C HA 0.953 5.417 4.460 0.006 0.000 0.335 188 C C -1.232 173.837 174.990 0.131 0.000 1.430 188 C CA -0.865 58.226 59.018 0.122 0.000 1.271 188 C CB 1.292 29.123 27.740 0.152 0.000 1.609 188 C HN 1.252 nan 8.230 nan 0.000 0.457 189 E N 0.489 120.803 120.200 0.189 0.000 2.354 189 E HA 0.501 4.855 4.350 0.006 0.000 0.283 189 E C -1.560 175.214 176.600 0.288 0.000 0.938 189 E CA -0.059 56.450 56.400 0.182 0.000 0.777 189 E CB 1.641 31.423 29.700 0.137 0.000 1.222 189 E HN 0.848 nan 8.360 nan 0.000 0.423 190 D N 1.690 122.199 120.400 0.181 0.000 2.360 190 D HA 0.227 4.871 4.640 0.006 0.000 0.242 190 D C -1.002 175.460 176.300 0.271 0.000 1.184 190 D CA -0.189 53.899 54.000 0.147 0.000 0.930 190 D CB 0.765 41.557 40.800 -0.013 0.000 1.161 190 D HN 0.285 nan 8.370 nan 0.000 0.447 191 L N 2.574 123.991 121.223 0.324 0.000 2.319 191 L HA 0.472 4.816 4.340 0.006 0.000 0.281 191 L C -1.250 175.787 176.870 0.278 0.000 1.005 191 L CA -0.132 54.903 54.840 0.326 0.000 0.828 191 L CB 1.130 43.402 42.059 0.354 0.000 1.227 191 L HN 0.295 nan 8.230 nan 0.000 0.415 192 D N 3.934 124.508 120.400 0.289 0.000 2.803 192 D HA 0.072 4.716 4.640 0.006 0.000 0.218 192 D C 0.486 176.975 176.300 0.315 0.000 1.245 192 D CA -0.417 53.726 54.000 0.238 0.000 0.821 192 D CB 1.141 41.973 40.800 0.053 0.000 1.626 192 D HN 0.712 nan 8.370 nan 0.000 0.487 193 W N 3.084 124.569 121.300 0.309 0.000 2.331 193 W HA -0.222 4.442 4.660 0.005 0.000 0.291 193 W C 1.099 177.763 176.519 0.242 0.000 1.214 193 W CA 1.831 59.348 57.345 0.287 0.000 1.228 193 W CB -1.337 28.268 29.460 0.242 0.000 1.135 193 W HN 0.403 nan 8.180 nan 0.000 0.537 194 T N -0.398 113.834 114.554 -0.537 0.000 3.007 194 T HA -0.188 4.166 4.350 0.006 0.000 0.270 194 T C 1.758 176.359 174.700 -0.166 0.000 1.107 194 T CA 1.367 63.072 62.100 -0.658 0.000 1.118 194 T CB -0.580 67.798 68.868 -0.817 0.000 0.889 194 T HN 0.166 nan 8.240 nan 0.000 0.506 195 L N 0.988 122.211 121.223 -0.000 0.000 2.200 195 L HA 0.361 4.705 4.340 0.006 0.000 0.200 195 L C 2.570 179.587 176.870 0.246 0.000 1.072 195 L CA 1.233 56.143 54.840 0.116 0.000 0.787 195 L CB -0.783 41.377 42.059 0.167 0.000 0.957 195 L HN 0.153 nan 8.230 nan 0.000 0.459 196 S N -0.757 115.127 115.700 0.306 0.000 2.383 196 S HA -0.203 4.271 4.470 0.006 0.000 0.229 196 S C 2.007 176.702 174.600 0.157 0.000 1.030 196 S CA 1.458 59.853 58.200 0.326 0.000 1.002 196 S CB -0.670 62.653 63.200 0.205 0.000 0.829 196 S HN 0.373 nan 8.310 nan 0.000 0.467 197 V N 2.367 122.328 119.914 0.079 0.000 2.490 197 V HA -0.137 3.986 4.120 0.006 0.000 0.250 197 V C 1.822 177.787 176.094 -0.214 0.000 1.061 197 V CA 1.451 63.548 62.300 -0.337 0.000 1.064 197 V CB -0.538 31.262 31.823 -0.038 0.000 0.670 197 V HN 0.482 nan 8.190 nan 0.000 0.461 198 L N -1.401 119.763 121.223 -0.099 0.000 2.083 198 L HA -0.151 4.193 4.340 0.006 0.000 0.209 198 L C 2.371 179.116 176.870 -0.208 0.000 1.083 198 L CA 1.731 56.459 54.840 -0.188 0.000 0.752 198 L CB -0.725 41.168 42.059 -0.276 0.000 0.899 198 L HN 0.304 nan 8.230 nan 0.000 0.433 199 F N 0.052 120.011 119.950 0.015 0.000 2.234 199 F HA -0.134 4.396 4.527 0.005 0.000 0.296 199 F C 2.283 178.042 175.800 -0.067 0.000 1.089 199 F CA 1.223 59.259 58.000 0.060 0.000 1.343 199 F CB -0.477 38.600 39.000 0.129 0.000 1.040 199 F HN 0.073 nan 8.300 nan 0.000 0.498 200 D N 0.176 120.554 120.400 -0.038 0.000 2.144 200 D HA -0.138 4.506 4.640 0.006 0.000 0.199 200 D C 2.211 178.423 176.300 -0.146 0.000 0.984 200 D CA 1.195 55.089 54.000 -0.178 0.000 0.834 200 D CB -0.105 40.374 40.800 -0.534 0.000 0.955 200 D HN 0.137 nan 8.370 nan 0.000 0.465 201 A N 0.430 123.153 122.820 -0.162 0.000 2.067 201 A HA -0.087 4.237 4.320 0.006 0.000 0.219 201 A C 2.174 179.731 177.584 -0.045 0.000 1.158 201 A CA 1.493 53.464 52.037 -0.110 0.000 0.661 201 A CB -0.818 18.113 19.000 -0.115 0.000 0.801 201 A HN 0.539 nan 8.150 nan 0.000 0.452 202 M N -3.007 116.591 119.600 -0.003 0.000 2.502 202 M HA 0.395 4.879 4.480 0.006 0.000 0.243 202 M C 1.149 177.488 176.300 0.064 0.000 1.130 202 M CA 0.965 56.289 55.300 0.040 0.000 1.055 202 M CB 0.029 32.676 32.600 0.078 0.000 1.457 202 M HN 0.614 nan 8.290 nan 0.000 0.488 203 G N 0.694 109.521 108.800 0.046 0.000 2.147 203 G HA2 -0.267 3.697 3.960 0.006 0.000 0.244 203 G HA3 -0.267 3.697 3.960 0.006 0.000 0.244 203 G C 0.758 175.708 174.900 0.084 0.000 1.005 203 G CA 0.372 45.501 45.100 0.048 0.000 0.713 203 G HN 0.780 nan 8.290 nan 0.000 0.515 204 A N -0.937 121.960 122.820 0.128 0.000 2.132 204 A HA 0.674 4.998 4.320 0.006 0.000 0.213 204 A C 1.332 178.906 177.584 -0.017 0.000 1.154 204 A CA 1.121 53.280 52.037 0.203 0.000 0.753 204 A CB 0.056 19.359 19.000 0.505 0.000 0.826 204 A HN 0.554 nan 8.150 nan 0.000 0.469 205 M N -0.221 119.277 119.600 -0.169 0.000 2.478 205 M HA 0.298 4.782 4.480 0.006 0.000 0.327 205 M C 0.328 176.575 176.300 -0.089 0.000 1.187 205 M CA -0.420 54.671 55.300 -0.348 0.000 1.022 205 M CB 1.718 34.082 32.600 -0.394 0.000 1.629 205 M HN 0.139 nan 8.290 nan 0.000 0.461 206 S N 0.665 116.343 115.700 -0.038 0.000 2.552 206 S HA 0.096 4.570 4.470 0.006 0.000 0.289 206 S C 0.724 175.368 174.600 0.072 0.000 1.304 206 S CA 0.253 58.498 58.200 0.076 0.000 1.063 206 S CB 0.304 63.590 63.200 0.142 0.000 0.848 206 S HN 0.809 nan 8.310 nan 0.000 0.499 207 S N 1.969 117.703 115.700 0.056 0.000 2.744 207 S HA 0.249 4.723 4.470 0.006 0.000 0.265 207 S C 1.222 175.797 174.600 -0.041 0.000 1.065 207 S CA 0.148 58.364 58.200 0.028 0.000 1.191 207 S CB -0.141 63.072 63.200 0.023 0.000 1.150 207 S HN 0.776 nan 8.310 nan 0.000 0.646 208 K N 0.597 120.910 120.400 -0.145 0.000 2.444 208 K HA 0.394 4.718 4.320 0.006 0.000 0.193 208 K C 0.529 176.786 176.600 -0.572 0.000 1.024 208 K CA 0.244 56.305 56.287 -0.376 0.000 1.077 208 K CB -0.911 31.283 32.500 -0.511 0.000 0.833 208 K HN 0.677 nan 8.250 nan 0.000 0.517 209 Y N 0.169 120.472 120.300 0.004 0.000 2.696 209 Y HA 0.227 4.779 4.550 0.003 0.000 0.260 209 Y C 1.348 177.240 175.900 -0.014 0.000 1.165 209 Y CA -1.087 57.007 58.100 -0.010 0.000 1.189 209 Y CB 0.315 38.764 38.460 -0.019 0.000 1.180 209 Y HN 0.165 nan 8.280 nan 0.000 0.538 210 N N 0.868 119.606 118.700 0.062 0.000 2.223 210 N HA -0.158 4.586 4.740 0.006 0.000 0.185 210 N C 1.370 176.895 175.510 0.027 0.000 1.016 210 N CA 1.705 54.780 53.050 0.042 0.000 0.863 210 N CB -0.148 38.350 38.487 0.019 0.000 0.983 210 N HN 0.576 nan 8.380 nan 0.000 0.429 211 D N -0.323 120.091 120.400 0.025 0.000 2.347 211 D HA -0.055 4.589 4.640 0.006 0.000 0.215 211 D C 0.244 176.561 176.300 0.027 0.000 0.976 211 D CA 0.611 54.621 54.000 0.017 0.000 0.884 211 D CB -0.416 40.389 40.800 0.008 0.000 0.915 211 D HN 0.194 nan 8.370 nan 0.000 0.526 212 T N -2.527 112.060 114.554 0.055 0.000 3.504 212 T HA 0.390 4.744 4.350 0.006 0.000 0.286 212 T C -2.359 172.347 174.700 0.011 0.000 1.530 212 T CA -1.478 60.642 62.100 0.033 0.000 1.652 212 T CB 1.594 70.492 68.868 0.049 0.000 0.895 212 T HN -0.287 nan 8.240 nan 0.000 0.674 213 P HA -0.170 nan 4.420 nan 0.000 0.218 213 P C 2.001 179.266 177.300 -0.059 0.000 1.148 213 P CA 1.313 64.411 63.100 -0.004 0.000 0.822 213 P CB 0.008 31.708 31.700 -0.001 0.000 0.784 214 S N -1.244 114.402 115.700 -0.089 0.000 2.442 214 S HA -0.126 4.348 4.470 0.006 0.000 0.236 214 S C 1.651 176.014 174.600 -0.394 0.000 1.007 214 S CA 1.765 59.880 58.200 -0.142 0.000 0.965 214 S CB -1.819 61.328 63.200 -0.088 0.000 0.773 214 S HN 0.315 nan 8.310 nan 0.000 0.504 215 T N -2.551 111.725 114.554 -0.463 0.000 3.134 215 T HA 0.665 5.019 4.350 0.006 0.000 0.260 215 T C 1.476 175.829 174.700 -0.577 0.000 1.027 215 T CA 0.177 61.787 62.100 -0.816 0.000 0.913 215 T CB 0.302 68.842 68.868 -0.547 0.000 1.046 215 T HN 0.415 nan 8.240 nan 0.000 0.553 216 A N 1.366 123.995 122.820 -0.319 0.000 1.969 216 A HA 0.224 4.548 4.320 0.006 0.000 0.218 216 A C 1.593 179.098 177.584 -0.132 0.000 1.169 216 A CA 0.621 52.548 52.037 -0.185 0.000 0.635 216 A CB -0.494 18.540 19.000 0.056 0.000 0.810 216 A HN 0.515 nan 8.150 nan 0.000 0.445 217 S N 0.269 115.930 115.700 -0.066 0.000 2.452 217 S HA 0.504 4.978 4.470 0.006 0.000 0.284 217 S C 0.132 174.770 174.600 0.063 0.000 1.171 217 S CA -0.699 57.517 58.200 0.027 0.000 1.064 217 S CB 0.020 63.264 63.200 0.074 0.000 0.967 217 S HN 0.525 nan 8.310 nan 0.000 0.484 218 R N 3.258 123.763 120.500 0.008 0.000 2.672 218 R HA 0.435 4.779 4.340 0.006 0.000 0.228 218 R C -0.303 175.985 176.300 -0.019 0.000 1.501 218 R CA -0.643 55.466 56.100 0.015 0.000 1.514 218 R CB -0.454 29.815 30.300 -0.052 0.000 1.489 218 R HN 0.488 nan 8.270 nan 0.000 0.747 219 A N 1.407 124.159 122.820 -0.113 0.000 2.567 219 A HA 0.168 4.491 4.320 0.006 0.000 0.240 219 A C -0.025 177.416 177.584 -0.237 0.000 1.053 219 A CA 0.720 52.555 52.037 -0.336 0.000 0.755 219 A CB -0.584 18.052 19.000 -0.607 0.000 0.978 219 A HN 0.669 nan 8.150 nan 0.000 0.507 220 Y N -1.179 119.189 120.300 0.113 0.000 4.894 220 Y HA -0.222 4.328 4.550 -0.001 0.000 0.270 220 Y C 0.424 176.479 175.900 0.259 0.000 0.930 220 Y CA 0.854 59.096 58.100 0.236 0.000 1.814 220 Y CB -2.379 36.146 38.460 0.109 0.000 1.235 220 Y HN 0.896 nan 8.280 nan 0.000 0.480 221 D N 1.077 121.630 120.400 0.255 0.000 2.382 221 D HA 0.191 4.835 4.640 0.006 0.000 0.245 221 D C 1.262 177.670 176.300 0.180 0.000 1.120 221 D CA 0.320 54.431 54.000 0.184 0.000 0.890 221 D CB 0.813 41.679 40.800 0.110 0.000 1.201 221 D HN 0.237 nan 8.370 nan 0.000 0.433 222 K N 2.139 122.621 120.400 0.137 0.000 2.152 222 K HA -0.177 4.147 4.320 0.006 0.000 0.206 222 K C 0.373 177.040 176.600 0.112 0.000 1.048 222 K CA 1.362 57.707 56.287 0.097 0.000 0.933 222 K CB 0.000 32.538 32.500 0.064 0.000 0.721 222 K HN 0.480 nan 8.250 nan 0.000 0.447 223 N N 0.591 119.376 118.700 0.141 0.000 2.273 223 N HA 0.023 4.767 4.740 0.006 0.000 0.231 223 N C -0.916 174.743 175.510 0.247 0.000 1.134 223 N CA -0.394 52.764 53.050 0.180 0.000 0.856 223 N CB 0.481 39.091 38.487 0.205 0.000 1.068 223 N HN 0.195 nan 8.380 nan 0.000 0.510 224 R N 1.386 122.001 120.500 0.192 0.000 2.697 224 R HA -0.011 4.332 4.340 0.006 0.000 0.265 224 R C -0.476 175.945 176.300 0.203 0.000 1.009 224 R CA 0.549 56.763 56.100 0.190 0.000 1.099 224 R CB 0.281 30.663 30.300 0.137 0.000 0.965 224 R HN 0.124 nan 8.270 nan 0.000 0.428 225 D N 0.772 121.304 120.400 0.219 0.000 2.712 225 D HA 0.217 4.860 4.640 0.006 0.000 0.300 225 D C 0.046 176.432 176.300 0.143 0.000 1.521 225 D CA 0.132 54.233 54.000 0.168 0.000 0.790 225 D CB 0.429 41.314 40.800 0.142 0.000 1.155 225 D HN 0.903 nan 8.370 nan 0.000 0.456 226 G N 0.488 109.380 108.800 0.154 0.000 2.362 226 G HA2 0.237 4.201 3.960 0.006 0.000 0.656 226 G HA3 0.237 4.201 3.960 0.006 0.000 0.656 226 G C -0.581 174.414 174.900 0.159 0.000 1.376 226 G CA -0.679 44.511 45.100 0.150 0.000 0.971 226 G HN 0.306 nan 8.290 nan 0.000 0.636 227 F N -0.311 119.697 119.950 0.097 0.000 2.399 227 F HA 0.787 5.316 4.527 0.004 0.000 0.313 227 F C 0.226 176.075 175.800 0.081 0.000 1.202 227 F CA -1.181 56.861 58.000 0.070 0.000 1.192 227 F CB 1.130 40.177 39.000 0.078 0.000 1.256 227 F HN 0.390 nan 8.300 nan 0.000 0.558 228 V N 4.242 124.313 119.914 0.261 0.000 2.384 228 V HA 0.295 4.419 4.120 0.006 0.000 0.287 228 V C 0.123 176.415 176.094 0.329 0.000 1.020 228 V CA -0.868 61.531 62.300 0.164 0.000 0.850 228 V CB 1.179 33.087 31.823 0.143 0.000 0.987 228 V HN 0.859 nan 8.190 nan 0.000 0.436 229 I N 4.271 124.987 120.570 0.244 0.000 2.638 229 I HA 0.619 4.793 4.170 0.006 0.000 0.286 229 I C 0.462 176.725 176.117 0.244 0.000 1.088 229 I CA 0.365 61.851 61.300 0.310 0.000 1.397 229 I CB 1.125 39.272 38.000 0.245 0.000 1.414 229 I HN 0.809 nan 8.210 nan 0.000 0.566 230 A N 4.566 127.492 122.820 0.176 0.000 2.569 230 A HA 0.867 5.190 4.320 0.006 0.000 0.290 230 A C -0.674 176.974 177.584 0.106 0.000 1.136 230 A CA -0.215 51.889 52.037 0.111 0.000 0.710 230 A CB 1.346 20.390 19.000 0.072 0.000 1.303 230 A HN 0.811 nan 8.150 nan 0.000 0.413 231 G N -1.738 107.097 108.800 0.058 0.000 2.630 231 G HA2 0.890 4.853 3.960 0.006 0.000 0.296 231 G HA3 0.890 4.853 3.960 0.006 0.000 0.296 231 G C -0.059 174.758 174.900 -0.137 0.000 1.285 231 G CA -0.184 44.991 45.100 0.125 0.000 0.958 231 G HN 2.181 nan 8.290 nan 0.000 0.479 232 G N -1.534 107.248 108.800 -0.029 0.000 2.356 232 G HA2 0.685 4.649 3.960 0.006 0.000 0.266 232 G HA3 0.685 4.649 3.960 0.006 0.000 0.266 232 G C -1.054 173.890 174.900 0.074 0.000 1.312 232 G CA 0.449 45.413 45.100 -0.228 0.000 0.922 232 G HN 2.174 nan 8.290 nan 0.000 0.480 233 A N -1.792 121.023 122.820 -0.008 0.000 2.601 233 A HA 1.070 5.394 4.320 0.006 0.000 0.291 233 A C -0.231 177.334 177.584 -0.032 0.000 1.075 233 A CA 0.482 52.543 52.037 0.041 0.000 0.671 233 A CB 1.389 20.460 19.000 0.117 0.000 1.277 233 A HN 2.534 nan 8.150 nan 0.000 0.417 234 G N -0.877 107.901 108.800 -0.036 0.000 2.718 234 G HA2 0.669 4.633 3.960 0.006 0.000 0.295 234 G HA3 0.669 4.633 3.960 0.006 0.000 0.295 234 G C -1.866 173.000 174.900 -0.056 0.000 1.421 234 G CA -0.431 44.621 45.100 -0.079 0.000 0.902 234 G HN 1.357 nan 8.290 nan 0.000 0.501 235 V N 1.330 121.204 119.914 -0.067 0.000 2.760 235 V HA 0.566 4.690 4.120 0.006 0.000 0.309 235 V C -0.361 175.698 176.094 -0.057 0.000 1.077 235 V CA -0.657 61.621 62.300 -0.038 0.000 0.910 235 V CB 1.784 33.593 31.823 -0.023 0.000 1.008 235 V HN 0.676 nan 8.190 nan 0.000 0.424 236 L N 4.002 125.202 121.223 -0.039 0.000 2.334 236 L HA 0.663 5.007 4.340 0.006 0.000 0.276 236 L C -0.593 176.260 176.870 -0.028 0.000 1.014 236 L CA -1.025 53.783 54.840 -0.055 0.000 0.815 236 L CB 2.119 44.143 42.059 -0.059 0.000 1.268 236 L HN 0.348 nan 8.230 nan 0.000 0.428 237 V N 4.366 124.248 119.914 -0.054 0.000 2.406 237 V HA 0.361 4.485 4.120 0.006 0.000 0.272 237 V C 0.162 176.172 176.094 -0.140 0.000 1.043 237 V CA -0.323 61.879 62.300 -0.164 0.000 0.915 237 V CB 1.213 32.957 31.823 -0.131 0.000 0.988 237 V HN 0.474 nan 8.190 nan 0.000 0.466 238 L N 5.194 126.304 121.223 -0.189 0.000 2.334 238 L HA 0.729 5.073 4.340 0.006 0.000 0.276 238 L C -0.139 176.644 176.870 -0.146 0.000 1.014 238 L CA -0.476 54.294 54.840 -0.118 0.000 0.815 238 L CB 1.895 43.906 42.059 -0.081 0.000 1.268 238 L HN 0.625 nan 8.230 nan 0.000 0.428 239 E N 1.047 121.189 120.200 -0.097 0.000 2.383 239 E HA 0.194 4.548 4.350 0.006 0.000 0.275 239 E C -1.563 174.997 176.600 -0.067 0.000 0.918 239 E CA -0.889 55.453 56.400 -0.097 0.000 0.764 239 E CB 2.519 32.158 29.700 -0.101 0.000 1.252 239 E HN 0.635 nan 8.360 nan 0.000 0.449 240 D N 1.891 122.254 120.400 -0.061 0.000 2.382 240 D HA -0.054 4.590 4.640 0.006 0.000 0.240 240 D C 0.974 177.238 176.300 -0.060 0.000 1.146 240 D CA -0.324 53.649 54.000 -0.045 0.000 0.897 240 D CB 1.547 42.325 40.800 -0.036 0.000 1.197 240 D HN 0.313 nan 8.370 nan 0.000 0.432 241 L N 1.280 122.468 121.223 -0.057 0.000 2.012 241 L HA -0.213 4.131 4.340 0.006 0.000 0.210 241 L C 2.347 179.168 176.870 -0.081 0.000 1.073 241 L CA 2.066 56.849 54.840 -0.096 0.000 0.748 241 L CB -1.012 41.000 42.059 -0.079 0.000 0.891 241 L HN 0.640 nan 8.230 nan 0.000 0.431 242 E N -0.969 119.205 120.200 -0.043 0.000 2.077 242 E HA -0.193 4.161 4.350 0.006 0.000 0.193 242 E C 2.034 178.611 176.600 -0.038 0.000 0.989 242 E CA 1.975 58.357 56.400 -0.030 0.000 0.800 242 E CB -0.431 29.261 29.700 -0.014 0.000 0.746 242 E HN 0.544 nan 8.360 nan 0.000 0.452 243 T N 0.198 114.727 114.554 -0.042 0.000 2.684 243 T HA -0.208 4.146 4.350 0.006 0.000 0.267 243 T C 1.784 176.452 174.700 -0.053 0.000 1.036 243 T CA 1.732 63.806 62.100 -0.043 0.000 1.148 243 T CB -0.593 68.247 68.868 -0.048 0.000 0.863 243 T HN 0.375 nan 8.240 nan 0.000 0.436 244 A N 1.148 123.923 122.820 -0.074 0.000 1.858 244 A HA -0.007 4.317 4.320 0.006 0.000 0.216 244 A C 2.342 179.877 177.584 -0.082 0.000 1.190 244 A CA 1.312 53.296 52.037 -0.088 0.000 0.617 244 A CB -0.923 18.001 19.000 -0.127 0.000 0.827 244 A HN 0.474 nan 8.150 nan 0.000 0.443 245 L N -0.764 120.406 121.223 -0.087 0.000 2.012 245 L HA -0.219 4.125 4.340 0.006 0.000 0.210 245 L C 3.077 179.928 176.870 -0.032 0.000 1.073 245 L CA 1.190 55.995 54.840 -0.059 0.000 0.748 245 L CB -0.582 41.454 42.059 -0.038 0.000 0.891 245 L HN 0.447 nan 8.230 nan 0.000 0.431 246 A N 0.809 123.612 122.820 -0.027 0.000 2.019 246 A HA -0.191 4.133 4.320 0.006 0.000 0.219 246 A C 2.225 179.800 177.584 -0.015 0.000 1.164 246 A CA 1.619 53.647 52.037 -0.016 0.000 0.644 246 A CB -0.517 18.475 19.000 -0.014 0.000 0.805 246 A HN 0.585 nan 8.150 nan 0.000 0.449 247 R N -1.237 119.251 120.500 -0.021 0.000 2.359 247 R HA 0.353 4.697 4.340 0.006 0.000 0.231 247 R C 0.926 177.216 176.300 -0.016 0.000 0.913 247 R CA 0.622 56.713 56.100 -0.016 0.000 1.075 247 R CB -0.609 29.682 30.300 -0.016 0.000 1.087 247 R HN 0.691 nan 8.270 nan 0.000 0.515 248 G N 0.793 109.580 108.800 -0.021 0.000 2.246 248 G HA2 -0.316 3.648 3.960 0.006 0.000 0.273 248 G HA3 -0.316 3.648 3.960 0.006 0.000 0.273 248 G C 0.280 175.162 174.900 -0.030 0.000 1.055 248 G CA 0.124 45.212 45.100 -0.021 0.000 0.851 248 G HN 0.711 nan 8.290 nan 0.000 0.500 249 A N -0.388 122.406 122.820 -0.044 0.000 2.466 249 A HA 0.570 4.894 4.320 0.006 0.000 0.238 249 A C 0.869 178.406 177.584 -0.078 0.000 1.074 249 A CA 0.476 52.481 52.037 -0.053 0.000 0.774 249 A CB 0.366 19.327 19.000 -0.064 0.000 1.015 249 A HN 0.584 nan 8.150 nan 0.000 0.498 250 K N 0.638 120.983 120.400 -0.092 0.000 2.326 250 K HA 0.352 4.676 4.320 0.006 0.000 0.275 250 K C -0.926 175.540 176.600 -0.223 0.000 1.018 250 K CA 0.575 56.743 56.287 -0.198 0.000 0.962 250 K CB 0.592 32.923 32.500 -0.281 0.000 0.953 250 K HN 0.536 nan 8.250 nan 0.000 0.475 251 I N 3.836 124.247 120.570 -0.264 0.000 2.437 251 I HA 0.095 4.269 4.170 0.006 0.000 0.279 251 I C -0.054 175.936 176.117 -0.212 0.000 1.028 251 I CA -0.527 60.661 61.300 -0.186 0.000 1.142 251 I CB 0.666 38.563 38.000 -0.171 0.000 1.266 251 I HN 0.660 nan 8.210 nan 0.000 0.461 252 Y N 4.551 124.834 120.300 -0.027 0.000 2.373 252 Y HA 0.193 4.747 4.550 0.006 0.000 0.293 252 Y C 1.547 177.438 175.900 -0.015 0.000 1.129 252 Y CA 0.579 58.658 58.100 -0.035 0.000 1.226 252 Y CB 0.240 38.654 38.460 -0.077 0.000 1.000 252 Y HN 0.599 nan 8.280 nan 0.000 0.549 253 G N -0.606 108.274 108.800 0.133 0.000 2.338 253 G HA2 0.240 4.204 3.960 0.006 0.000 0.295 253 G HA3 0.240 4.204 3.960 0.006 0.000 0.295 253 G C -1.909 173.084 174.900 0.154 0.000 1.461 253 G CA -0.996 44.197 45.100 0.154 0.000 0.817 253 G HN -0.091 nan 8.290 nan 0.000 0.556 254 E N 0.038 120.338 120.200 0.166 0.000 2.175 254 E HA 0.522 4.876 4.350 0.006 0.000 0.278 254 E C -0.088 176.540 176.600 0.046 0.000 0.969 254 E CA -0.786 55.679 56.400 0.108 0.000 0.796 254 E CB 1.094 30.878 29.700 0.139 0.000 1.104 254 E HN 0.376 nan 8.360 nan 0.000 0.395 255 I N 5.549 126.061 120.570 -0.097 0.000 2.436 255 I HA -0.008 4.166 4.170 0.006 0.000 0.289 255 I C 1.067 176.967 176.117 -0.362 0.000 1.083 255 I CA -0.090 60.920 61.300 -0.483 0.000 1.372 255 I CB 0.746 38.197 38.000 -0.915 0.000 1.408 255 I HN 0.507 nan 8.210 nan 0.000 0.516 256 V N 2.529 122.271 119.914 -0.287 0.000 3.556 256 V HA 0.577 4.701 4.120 0.006 0.000 0.287 256 V C 0.586 176.663 176.094 -0.028 0.000 1.422 256 V CA 0.153 62.413 62.300 -0.067 0.000 1.038 256 V CB 0.208 32.027 31.823 -0.007 0.000 0.850 256 V HN 0.761 nan 8.190 nan 0.000 0.437 257 G N -0.547 108.170 108.800 -0.139 0.000 2.720 257 G HA2 0.553 4.517 3.960 0.006 0.000 0.295 257 G HA3 0.553 4.517 3.960 0.006 0.000 0.295 257 G C -2.457 172.443 174.900 -0.000 0.000 1.437 257 G CA -0.616 44.483 45.100 -0.002 0.000 0.886 257 G HN 0.368 nan 8.290 nan 0.000 0.509 258 Y N 0.725 121.024 120.300 -0.001 0.000 2.358 258 Y HA 0.680 5.233 4.550 0.006 0.000 0.324 258 Y C -0.188 175.742 175.900 0.049 0.000 1.123 258 Y CA -1.074 57.031 58.100 0.007 0.000 1.067 258 Y CB 1.736 40.274 38.460 0.130 0.000 1.230 258 Y HN 0.915 nan 8.280 nan 0.000 0.429 259 G N 2.856 111.578 108.800 -0.130 0.000 2.448 259 G HA2 0.794 4.758 3.960 0.006 0.000 0.324 259 G HA3 0.794 4.758 3.960 0.006 0.000 0.324 259 G C -1.733 172.982 174.900 -0.307 0.000 1.203 259 G CA -0.604 44.355 45.100 -0.235 0.000 0.954 259 G HN 1.179 nan 8.290 nan 0.000 0.480 260 A N 1.151 123.818 122.820 -0.255 0.000 2.466 260 A HA 0.853 5.177 4.320 0.006 0.000 0.284 260 A C -0.073 177.517 177.584 0.010 0.000 1.049 260 A CA 0.005 52.027 52.037 -0.025 0.000 0.760 260 A CB 1.276 20.286 19.000 0.016 0.000 1.274 260 A HN 1.639 nan 8.150 nan 0.000 0.412 261 T N -1.492 113.101 114.554 0.065 0.000 2.716 261 T HA 0.870 5.223 4.350 0.006 0.000 0.286 261 T C -0.353 174.372 174.700 0.042 0.000 1.052 261 T CA -0.441 61.673 62.100 0.023 0.000 1.024 261 T CB 1.717 70.575 68.868 -0.018 0.000 1.349 261 T HN 1.488 nan 8.240 nan 0.000 0.525 262 S N -0.926 114.781 115.700 0.012 0.000 2.548 262 S HA 0.449 4.923 4.470 0.006 0.000 0.276 262 S C -0.277 174.325 174.600 0.003 0.000 1.129 262 S CA -0.604 57.608 58.200 0.020 0.000 0.931 262 S CB 1.586 64.800 63.200 0.024 0.000 1.068 262 S HN 0.687 nan 8.310 nan 0.000 0.480 263 D N 2.929 123.336 120.400 0.012 0.000 2.149 263 D HA 0.141 4.785 4.640 0.006 0.000 0.201 263 D C 1.465 177.805 176.300 0.066 0.000 0.972 263 D CA 1.487 55.500 54.000 0.021 0.000 0.835 263 D CB -0.480 40.356 40.800 0.061 0.000 0.966 263 D HN 1.061 nan 8.370 nan 0.000 0.476 264 G N 0.228 109.074 108.800 0.075 0.000 2.338 264 G HA2 -0.332 3.631 3.960 0.006 0.000 0.296 264 G HA3 -0.332 3.631 3.960 0.006 0.000 0.296 264 G C 0.156 175.144 174.900 0.147 0.000 1.040 264 G CA 1.166 46.314 45.100 0.080 0.000 1.004 264 G HN 0.412 nan 8.290 nan 0.000 0.509 265 Y N -0.232 120.061 120.300 -0.011 0.000 3.196 265 Y HA 0.500 5.052 4.550 0.003 0.000 0.151 265 Y C 0.444 176.338 175.900 -0.011 0.000 0.881 265 Y CA 0.494 58.587 58.100 -0.011 0.000 1.879 265 Y CB 0.454 38.905 38.460 -0.014 0.000 1.346 265 Y HN 0.221 nan 8.280 nan 0.000 0.308 266 D N -0.558 119.714 120.400 -0.214 0.000 2.575 266 D HA 0.259 4.903 4.640 0.006 0.000 0.236 266 D C 0.569 176.801 176.300 -0.114 0.000 1.075 266 D CA -0.411 53.404 54.000 -0.308 0.000 0.860 266 D CB 2.051 42.589 40.800 -0.438 0.000 1.475 266 D HN 0.239 nan 8.370 nan 0.000 0.474 267 M N 2.597 122.114 119.600 -0.139 0.000 2.229 267 M HA 0.047 4.531 4.480 0.006 0.000 0.264 267 M C 0.287 176.457 176.300 -0.218 0.000 1.063 267 M CA 1.770 56.993 55.300 -0.128 0.000 1.114 267 M CB 0.107 32.618 32.600 -0.148 0.000 1.387 267 M HN 0.389 nan 8.290 nan 0.000 0.420 268 V N -1.003 118.756 119.914 -0.258 0.000 3.307 268 V HA 0.429 4.553 4.120 0.006 0.000 0.244 268 V C 0.773 176.847 176.094 -0.034 0.000 1.196 268 V CA 0.417 62.478 62.300 -0.399 0.000 1.132 268 V CB -0.064 31.488 31.823 -0.452 0.000 0.875 268 V HN 0.387 nan 8.190 nan 0.000 0.468 269 A N 2.411 125.243 122.820 0.021 0.000 2.306 269 A HA 0.750 5.073 4.320 0.006 0.000 0.314 269 A C -2.569 175.126 177.584 0.185 0.000 1.164 269 A CA -1.498 50.617 52.037 0.129 0.000 0.822 269 A CB 0.429 19.503 19.000 0.122 0.000 1.130 269 A HN 0.202 nan 8.150 nan 0.000 0.496 270 P HA 0.162 nan 4.420 nan 0.000 0.276 270 P C 0.608 177.992 177.300 0.140 0.000 1.244 270 P CA -0.130 63.050 63.100 0.133 0.000 0.801 270 P CB 1.419 33.162 31.700 0.072 0.000 1.006 271 S N 0.344 116.061 115.700 0.028 0.000 2.458 271 S HA 0.181 4.654 4.470 0.006 0.000 0.223 271 S C 1.616 176.112 174.600 -0.173 0.000 1.019 271 S CA 0.902 58.978 58.200 -0.207 0.000 0.937 271 S CB -1.020 61.944 63.200 -0.393 0.000 0.788 271 S HN 0.749 nan 8.310 nan 0.000 0.511 272 G N 2.350 111.072 108.800 -0.131 0.000 2.812 272 G HA2 -0.448 3.516 3.960 0.006 0.000 0.219 272 G HA3 -0.448 3.516 3.960 0.006 0.000 0.219 272 G C 0.964 175.785 174.900 -0.131 0.000 1.275 272 G CA 0.959 45.994 45.100 -0.109 0.000 0.769 272 G HN 0.754 nan 8.290 nan 0.000 0.527 273 E N 1.654 121.768 120.200 -0.142 0.000 2.150 273 E HA 0.248 4.602 4.350 0.006 0.000 0.193 273 E C 2.424 178.949 176.600 -0.125 0.000 0.985 273 E CA 2.170 58.498 56.400 -0.120 0.000 0.814 273 E CB -1.165 28.465 29.700 -0.116 0.000 0.752 273 E HN 1.004 nan 8.360 nan 0.000 0.466 274 G N 0.707 109.416 108.800 -0.151 0.000 2.422 274 G HA2 -0.223 3.741 3.960 0.006 0.000 0.218 274 G HA3 -0.223 3.741 3.960 0.006 0.000 0.218 274 G C 1.769 176.544 174.900 -0.209 0.000 1.146 274 G CA 1.097 46.105 45.100 -0.154 0.000 0.769 274 G HN 0.503 nan 8.290 nan 0.000 0.547 275 A N 0.756 123.382 122.820 -0.322 0.000 1.902 275 A HA 0.061 4.385 4.320 0.006 0.000 0.217 275 A C 2.390 179.911 177.584 -0.104 0.000 1.181 275 A CA 1.222 53.031 52.037 -0.380 0.000 0.623 275 A CB -0.329 18.345 19.000 -0.544 0.000 0.818 275 A HN 0.382 nan 8.150 nan 0.000 0.443 276 I N -0.870 119.649 120.570 -0.084 0.000 2.179 276 I HA -0.287 3.886 4.170 0.006 0.000 0.242 276 I C 2.771 178.859 176.117 -0.048 0.000 1.088 276 I CA 1.496 62.769 61.300 -0.045 0.000 1.357 276 I CB -0.369 37.600 38.000 -0.052 0.000 1.051 276 I HN 0.288 nan 8.210 nan 0.000 0.409 277 R N -0.282 120.182 120.500 -0.061 0.000 2.096 277 R HA -0.189 4.155 4.340 0.006 0.000 0.235 277 R C 2.478 178.755 176.300 -0.038 0.000 1.127 277 R CA 1.605 57.674 56.100 -0.051 0.000 0.968 277 R CB -0.718 29.550 30.300 -0.054 0.000 0.861 277 R HN 0.489 nan 8.270 nan 0.000 0.440 278 C N 0.710 119.992 119.300 -0.030 0.000 2.453 278 C HA -0.041 4.423 4.460 0.006 0.000 0.277 278 C C 2.600 177.609 174.990 0.032 0.000 1.262 278 C CA 0.757 59.779 59.018 0.006 0.000 1.718 278 C CB -0.658 27.111 27.740 0.049 0.000 2.031 278 C HN 0.454 nan 8.230 nan 0.000 0.480 279 M N 0.249 119.886 119.600 0.061 0.000 2.117 279 M HA -0.157 4.327 4.480 0.006 0.000 0.262 279 M C 2.281 178.583 176.300 0.003 0.000 1.065 279 M CA 1.832 57.173 55.300 0.068 0.000 1.114 279 M CB -0.490 32.176 32.600 0.110 0.000 1.361 279 M HN 0.388 nan 8.290 nan 0.000 0.408 280 K N 0.026 120.407 120.400 -0.033 0.000 2.097 280 K HA -0.154 4.170 4.320 0.006 0.000 0.206 280 K C 2.001 178.578 176.600 -0.037 0.000 1.049 280 K CA 1.404 57.657 56.287 -0.057 0.000 0.933 280 K CB -0.227 32.234 32.500 -0.065 0.000 0.717 280 K HN 0.359 nan 8.250 nan 0.000 0.442 281 M N 0.536 120.118 119.600 -0.031 0.000 2.117 281 M HA -0.171 4.312 4.480 0.006 0.000 0.262 281 M C 2.141 178.430 176.300 -0.018 0.000 1.065 281 M CA 1.717 56.998 55.300 -0.033 0.000 1.114 281 M CB -0.100 32.466 32.600 -0.056 0.000 1.361 281 M HN 0.172 nan 8.290 nan 0.000 0.408 282 A N 0.424 123.240 122.820 -0.007 0.000 1.933 282 A HA -0.123 4.200 4.320 0.006 0.000 0.218 282 A C 1.923 179.518 177.584 0.019 0.000 1.175 282 A CA 1.401 53.448 52.037 0.017 0.000 0.628 282 A CB -0.911 18.106 19.000 0.029 0.000 0.814 282 A HN 0.605 nan 8.150 nan 0.000 0.444 283 L N 0.602 121.830 121.223 0.009 0.000 2.492 283 L HA -0.065 4.279 4.340 0.006 0.000 0.223 283 L C 2.616 179.485 176.870 -0.001 0.000 1.132 283 L CA 0.897 55.740 54.840 0.005 0.000 0.850 283 L CB -0.200 41.844 42.059 -0.025 0.000 0.966 283 L HN 0.573 nan 8.230 nan 0.000 0.454 284 S N -1.444 114.255 115.700 -0.003 0.000 2.474 284 S HA -0.126 4.348 4.470 0.006 0.000 0.235 284 S C 1.651 176.259 174.600 0.013 0.000 0.997 284 S CA 1.211 59.409 58.200 -0.002 0.000 0.949 284 S CB -0.587 62.610 63.200 -0.005 0.000 0.766 284 S HN 0.523 nan 8.310 nan 0.000 0.517 285 T N -1.077 113.494 114.554 0.028 0.000 3.129 285 T HA 0.486 4.839 4.350 0.006 0.000 0.267 285 T C 0.020 174.744 174.700 0.039 0.000 1.018 285 T CA -0.451 61.674 62.100 0.041 0.000 0.903 285 T CB 0.084 68.993 68.868 0.068 0.000 1.067 285 T HN 0.139 nan 8.240 nan 0.000 0.549 286 V N 2.807 122.739 119.914 0.030 0.000 2.417 286 V HA 0.419 4.543 4.120 0.006 0.000 0.291 286 V C 1.370 177.481 176.094 0.029 0.000 1.024 286 V CA -0.400 61.919 62.300 0.032 0.000 0.861 286 V CB 1.570 33.414 31.823 0.035 0.000 0.985 286 V HN 0.588 nan 8.190 nan 0.000 0.436 287 T N -0.530 114.042 114.554 0.031 0.000 3.015 287 T HA 0.084 4.438 4.350 0.006 0.000 0.250 287 T C 0.830 175.547 174.700 0.029 0.000 1.057 287 T CA 0.383 62.499 62.100 0.026 0.000 1.066 287 T CB 0.134 69.015 68.868 0.022 0.000 0.959 287 T HN 0.660 nan 8.240 nan 0.000 0.488 288 S N 2.048 117.769 115.700 0.036 0.000 2.632 288 S HA 0.443 4.917 4.470 0.006 0.000 0.271 288 S C 0.007 174.641 174.600 0.056 0.000 1.260 288 S CA -1.172 57.051 58.200 0.040 0.000 1.010 288 S CB 1.071 64.294 63.200 0.038 0.000 0.965 288 S HN 0.690 nan 8.310 nan 0.000 0.534 289 K N 0.814 121.249 120.400 0.059 0.000 2.336 289 K HA 0.192 4.516 4.320 0.006 0.000 0.262 289 K C -0.498 176.153 176.600 0.086 0.000 0.992 289 K CA -0.530 55.807 56.287 0.082 0.000 0.927 289 K CB 0.118 32.659 32.500 0.068 0.000 0.956 289 K HN 0.469 nan 8.250 nan 0.000 0.495 290 I N 2.949 123.587 120.570 0.113 0.000 2.371 290 I HA 0.003 4.177 4.170 0.006 0.000 0.290 290 I C 0.462 176.581 176.117 0.003 0.000 1.028 290 I CA -0.084 61.251 61.300 0.058 0.000 1.345 290 I CB 1.066 39.094 38.000 0.046 0.000 1.407 290 I HN 0.781 nan 8.210 nan 0.000 0.501 291 D N 4.990 125.405 120.400 0.025 0.000 2.367 291 D HA -0.011 4.633 4.640 0.006 0.000 0.207 291 D C -0.270 176.084 176.300 0.089 0.000 1.034 291 D CA 0.840 54.864 54.000 0.040 0.000 0.861 291 D CB 0.692 41.522 40.800 0.050 0.000 0.943 291 D HN 0.504 nan 8.370 nan 0.000 0.515 292 Y N 0.430 120.677 120.300 -0.089 0.000 2.465 292 Y HA 0.346 4.900 4.550 0.007 0.000 0.323 292 Y C -2.164 173.670 175.900 -0.110 0.000 1.191 292 Y CA -1.035 57.005 58.100 -0.100 0.000 1.082 292 Y CB 0.686 39.098 38.460 -0.081 0.000 1.334 292 Y HN -0.294 nan 8.280 nan 0.000 0.449 293 I N 6.122 126.183 120.570 -0.849 0.000 2.362 293 I HA 0.303 4.476 4.170 0.006 0.000 0.289 293 I C -0.428 175.042 176.117 -1.079 0.000 0.994 293 I CA -0.725 60.104 61.300 -0.785 0.000 1.158 293 I CB 1.445 39.164 38.000 -0.467 0.000 1.315 293 I HN 0.617 nan 8.210 nan 0.000 0.451 294 N N 9.180 127.388 118.700 -0.820 0.000 2.558 294 N HA 0.305 5.049 4.740 0.006 0.000 0.233 294 N C -2.608 172.769 175.510 -0.221 0.000 1.038 294 N CA -1.495 51.317 53.050 -0.396 0.000 0.934 294 N CB 1.260 39.662 38.487 -0.141 0.000 1.175 294 N HN 0.275 nan 8.380 nan 0.000 0.512 295 P HA 0.077 nan 4.420 nan 0.000 0.277 295 P C 0.487 177.689 177.300 -0.165 0.000 1.271 295 P CA -0.072 62.958 63.100 -0.118 0.000 0.795 295 P CB 1.252 32.949 31.700 -0.006 0.000 1.101 296 H N 1.754 120.640 119.070 -0.306 0.000 2.389 296 H HA 0.047 4.605 4.556 0.004 0.000 0.299 296 H C 0.579 175.755 175.328 -0.254 0.000 1.081 296 H CA 1.226 57.062 56.048 -0.353 0.000 1.345 296 H CB -1.018 28.448 29.762 -0.494 0.000 1.393 296 H HN 0.536 nan 8.280 nan 0.000 0.520 297 A N 0.762 123.385 122.820 -0.328 0.000 2.130 297 A HA -0.168 4.156 4.320 0.006 0.000 0.327 297 A C 1.491 178.782 177.584 -0.487 0.000 0.816 297 A CA 1.288 53.089 52.037 -0.395 0.000 1.426 297 A CB -0.849 17.858 19.000 -0.488 0.000 0.643 297 A HN 0.823 nan 8.150 nan 0.000 0.265 298 T N -0.416 113.867 114.554 -0.451 0.000 3.069 298 T HA 0.394 4.747 4.350 0.006 0.000 0.252 298 T C 0.686 175.329 174.700 -0.095 0.000 1.053 298 T CA 0.842 62.730 62.100 -0.353 0.000 0.964 298 T CB 0.158 68.786 68.868 -0.400 0.000 1.005 298 T HN 2.112 nan 8.240 nan 0.000 0.532 299 S N 0.926 116.559 115.700 -0.111 0.000 3.672 299 S HA -0.133 4.340 4.470 0.006 0.000 0.294 299 S C 0.240 174.895 174.600 0.092 0.000 1.200 299 S CA 0.649 58.839 58.200 -0.017 0.000 0.837 299 S CB -2.103 61.108 63.200 0.019 0.000 0.972 299 S HN 1.263 nan 8.310 nan 0.000 0.583 300 T N -1.203 113.417 114.554 0.109 0.000 2.859 300 T HA 0.683 5.037 4.350 0.006 0.000 0.281 300 T C -1.488 173.315 174.700 0.172 0.000 1.005 300 T CA -1.709 60.496 62.100 0.175 0.000 1.025 300 T CB 1.736 70.744 68.868 0.233 0.000 0.977 300 T HN -0.077 nan 8.240 nan 0.000 0.458 301 P HA -0.053 nan 4.420 nan 0.000 0.215 301 P C 1.490 178.903 177.300 0.188 0.000 1.157 301 P CA 1.515 64.718 63.100 0.172 0.000 0.874 301 P CB -0.125 31.659 31.700 0.140 0.000 0.790 302 A N -1.239 121.691 122.820 0.184 0.000 2.123 302 A HA 0.192 4.516 4.320 0.006 0.000 0.214 302 A C 2.215 179.925 177.584 0.210 0.000 1.152 302 A CA 1.446 53.595 52.037 0.186 0.000 0.728 302 A CB -1.222 17.879 19.000 0.168 0.000 0.814 302 A HN 0.292 nan 8.150 nan 0.000 0.464 303 G N -0.517 108.418 108.800 0.225 0.000 2.576 303 G HA2 0.015 3.979 3.960 0.006 0.000 0.210 303 G HA3 0.015 3.979 3.960 0.006 0.000 0.210 303 G C 0.928 175.964 174.900 0.227 0.000 1.143 303 G CA 0.810 46.060 45.100 0.249 0.000 0.819 303 G HN 0.360 nan 8.290 nan 0.000 0.534 304 D N 1.402 121.909 120.400 0.179 0.000 2.144 304 D HA 0.021 4.664 4.640 0.006 0.000 0.200 304 D C 2.698 179.106 176.300 0.179 0.000 0.978 304 D CA 1.142 55.206 54.000 0.106 0.000 0.833 304 D CB -0.220 40.581 40.800 0.001 0.000 0.961 304 D HN 0.296 nan 8.370 nan 0.000 0.470 305 A N 1.176 124.193 122.820 0.329 0.000 1.872 305 A HA -0.041 4.283 4.320 0.006 0.000 0.214 305 A C -0.217 177.522 177.584 0.257 0.000 1.187 305 A CA 0.962 53.250 52.037 0.419 0.000 0.614 305 A CB -1.371 17.906 19.000 0.462 0.000 0.826 305 A HN 0.174 nan 8.150 nan 0.000 0.442 306 P HA -0.138 nan 4.420 nan 0.000 0.218 306 P C 1.366 178.744 177.300 0.130 0.000 1.149 306 P CA 1.431 64.615 63.100 0.139 0.000 0.817 306 P CB 0.004 31.770 31.700 0.110 0.000 0.785 307 E N -0.271 120.037 120.200 0.178 0.000 2.072 307 E HA -0.143 4.211 4.350 0.006 0.000 0.191 307 E C 1.861 178.551 176.600 0.149 0.000 0.985 307 E CA 0.870 57.400 56.400 0.217 0.000 0.801 307 E CB -0.314 29.585 29.700 0.333 0.000 0.750 307 E HN -0.004 nan 8.360 nan 0.000 0.452 308 I N 1.554 122.181 120.570 0.095 0.000 2.226 308 I HA -0.222 3.952 4.170 0.006 0.000 0.245 308 I C 2.450 178.618 176.117 0.085 0.000 1.100 308 I CA 1.368 62.681 61.300 0.021 0.000 1.374 308 I CB -1.074 36.843 38.000 -0.139 0.000 1.057 308 I HN 0.244 nan 8.210 nan 0.000 0.413 309 E N 1.391 121.661 120.200 0.117 0.000 2.110 309 E HA -0.152 4.202 4.350 0.006 0.000 0.193 309 E C 2.171 178.818 176.600 0.078 0.000 0.988 309 E CA 1.619 58.078 56.400 0.100 0.000 0.804 309 E CB -0.123 29.633 29.700 0.095 0.000 0.745 309 E HN 0.385 nan 8.360 nan 0.000 0.458 310 A N 0.527 123.394 122.820 0.079 0.000 1.902 310 A HA -0.122 4.202 4.320 0.006 0.000 0.217 310 A C 2.356 180.005 177.584 0.108 0.000 1.181 310 A CA 1.499 53.577 52.037 0.068 0.000 0.623 310 A CB -0.703 18.335 19.000 0.063 0.000 0.818 310 A HN 0.353 nan 8.150 nan 0.000 0.443 311 I N -1.125 119.539 120.570 0.156 0.000 2.226 311 I HA -0.265 3.909 4.170 0.006 0.000 0.245 311 I C 2.737 178.997 176.117 0.239 0.000 1.100 311 I CA 1.636 63.089 61.300 0.254 0.000 1.374 311 I CB -0.331 37.766 38.000 0.162 0.000 1.057 311 I HN 0.342 nan 8.210 nan 0.000 0.413 312 R N 0.685 121.267 120.500 0.135 0.000 2.091 312 R HA -0.209 4.135 4.340 0.006 0.000 0.238 312 R C 2.328 178.677 176.300 0.082 0.000 1.136 312 R CA 1.585 57.750 56.100 0.108 0.000 0.959 312 R CB -0.095 30.254 30.300 0.081 0.000 0.856 312 R HN 0.461 nan 8.270 nan 0.000 0.437 313 Q N -0.289 119.544 119.800 0.054 0.000 2.167 313 Q HA -0.134 4.210 4.340 0.006 0.000 0.202 313 Q C 2.096 178.076 176.000 -0.034 0.000 0.970 313 Q CA 1.345 57.154 55.803 0.011 0.000 0.855 313 Q CB 0.085 28.822 28.738 -0.001 0.000 0.911 313 Q HN 0.452 nan 8.270 nan 0.000 0.438 314 I N -1.173 119.356 120.570 -0.068 0.000 2.339 314 I HA -0.138 4.036 4.170 0.006 0.000 0.245 314 I C 1.248 177.170 176.117 -0.326 0.000 1.096 314 I CA 0.932 62.069 61.300 -0.272 0.000 1.408 314 I CB 0.110 37.813 38.000 -0.496 0.000 1.092 314 I HN 0.074 nan 8.210 nan 0.000 0.423 315 F N 0.541 120.490 119.950 -0.000 0.000 2.717 315 F HA 0.395 4.924 4.527 0.003 0.000 0.295 315 F C 1.377 177.176 175.800 -0.001 0.000 1.117 315 F CA 0.460 58.459 58.000 -0.003 0.000 1.361 315 F CB -0.043 38.952 39.000 -0.008 0.000 1.112 315 F HN 0.117 nan 8.300 nan 0.000 0.594 316 G N 0.642 109.536 108.800 0.157 0.000 2.698 316 G HA2 0.194 4.158 3.960 0.006 0.000 0.225 316 G HA3 0.194 4.158 3.960 0.006 0.000 0.225 316 G C -0.735 174.222 174.900 0.095 0.000 1.345 316 G CA -0.709 44.450 45.100 0.098 0.000 0.871 316 G HN 0.610 nan 8.290 nan 0.000 0.540 317 A N -1.199 121.658 122.820 0.061 0.000 2.346 317 A HA 1.211 5.535 4.320 0.006 0.000 0.313 317 A C 1.460 179.062 177.584 0.029 0.000 1.140 317 A CA 1.318 53.381 52.037 0.042 0.000 0.826 317 A CB 1.027 20.051 19.000 0.040 0.000 1.332 317 A HN 3.079 nan 8.150 nan 0.000 0.457 318 G N 0.225 109.034 108.800 0.015 0.000 2.569 318 G HA2 -0.234 3.730 3.960 0.006 0.000 0.259 318 G HA3 -0.234 3.730 3.960 0.006 0.000 0.259 318 G C 0.237 175.141 174.900 0.006 0.000 1.263 318 G CA 0.607 45.713 45.100 0.010 0.000 0.928 318 G HN 0.740 nan 8.290 nan 0.000 0.572 319 D N 0.248 120.653 120.400 0.008 0.000 2.218 319 D HA -0.077 4.567 4.640 0.006 0.000 0.204 319 D C 2.725 179.032 176.300 0.012 0.000 0.976 319 D CA 1.969 55.973 54.000 0.007 0.000 0.853 319 D CB -0.390 40.415 40.800 0.009 0.000 0.939 319 D HN 0.942 nan 8.370 nan 0.000 0.481 320 V N -1.081 118.848 119.914 0.024 0.000 3.041 320 V HA 0.001 4.125 4.120 0.006 0.000 0.260 320 V C 1.254 177.380 176.094 0.053 0.000 1.105 320 V CA -0.109 62.215 62.300 0.040 0.000 1.125 320 V CB -0.940 30.912 31.823 0.049 0.000 0.730 320 V HN 0.165 nan 8.190 nan 0.000 0.479 321 C N 2.475 121.794 119.300 0.032 0.000 2.536 321 C HA 0.573 5.037 4.460 0.006 0.000 0.396 321 C C -1.980 172.948 174.990 -0.103 0.000 1.279 321 C CA -1.721 57.291 59.018 -0.009 0.000 2.148 321 C CB 0.459 28.192 27.740 -0.013 0.000 2.584 321 C HN 0.450 nan 8.230 nan 0.000 0.579 322 P HA 0.198 nan 4.420 nan 0.000 0.268 322 P C -2.521 174.682 177.300 -0.161 0.000 1.208 322 P CA -0.491 62.479 63.100 -0.217 0.000 0.777 322 P CB -0.160 31.308 31.700 -0.387 0.000 0.875 323 P HA 0.104 nan 4.420 nan 0.000 0.266 323 P C -0.485 176.808 177.300 -0.011 0.000 1.195 323 P CA 0.753 63.848 63.100 -0.008 0.000 0.768 323 P CB 0.251 31.989 31.700 0.065 0.000 0.838 324 I N 1.881 122.433 120.570 -0.030 0.000 2.436 324 I HA 0.628 4.802 4.170 0.006 0.000 0.289 324 I C -0.235 175.932 176.117 0.082 0.000 1.010 324 I CA -0.580 60.684 61.300 -0.061 0.000 1.098 324 I CB 1.889 39.791 38.000 -0.164 0.000 1.266 324 I HN 0.262 nan 8.210 nan 0.000 0.434 325 A N 4.946 127.894 122.820 0.214 0.000 2.402 325 A HA 0.821 5.145 4.320 0.006 0.000 0.291 325 A C -0.562 177.135 177.584 0.188 0.000 1.051 325 A CA -0.588 51.584 52.037 0.227 0.000 0.716 325 A CB 1.341 20.475 19.000 0.222 0.000 1.223 325 A HN 0.765 nan 8.150 nan 0.000 0.425 326 A N 2.495 125.396 122.820 0.134 0.000 2.343 326 A HA 0.496 4.820 4.320 0.006 0.000 0.305 326 A C 1.290 178.860 177.584 -0.022 0.000 1.308 326 A CA 0.338 52.387 52.037 0.020 0.000 0.949 326 A CB -0.538 18.404 19.000 -0.097 0.000 1.148 326 A HN 1.509 nan 8.150 nan 0.000 0.545 327 T N 0.427 114.976 114.554 -0.008 0.000 3.007 327 T HA -0.095 4.259 4.350 0.006 0.000 0.270 327 T C 1.351 176.001 174.700 -0.084 0.000 1.107 327 T CA 1.291 63.355 62.100 -0.060 0.000 1.118 327 T CB -0.253 68.597 68.868 -0.029 0.000 0.889 327 T HN 0.658 nan 8.240 nan 0.000 0.506 328 K N 1.259 121.611 120.400 -0.080 0.000 2.362 328 K HA 0.059 4.383 4.320 0.006 0.000 0.200 328 K C 2.494 179.066 176.600 -0.046 0.000 1.046 328 K CA 0.925 57.166 56.287 -0.076 0.000 0.952 328 K CB -0.135 32.274 32.500 -0.153 0.000 0.753 328 K HN 0.314 nan 8.250 nan 0.000 0.466 329 S N 1.310 116.973 115.700 -0.062 0.000 2.399 329 S HA -0.063 4.411 4.470 0.006 0.000 0.231 329 S C 1.785 176.407 174.600 0.037 0.000 1.022 329 S CA 0.973 59.169 58.200 -0.007 0.000 0.983 329 S CB -0.060 63.092 63.200 -0.080 0.000 0.803 329 S HN 0.232 nan 8.310 nan 0.000 0.480 330 L N 0.712 121.901 121.223 -0.058 0.000 2.168 330 L HA 0.022 4.366 4.340 0.006 0.000 0.203 330 L C 2.719 179.577 176.870 -0.021 0.000 1.078 330 L CA 1.405 56.221 54.840 -0.039 0.000 0.780 330 L CB -0.689 41.286 42.059 -0.140 0.000 0.939 330 L HN 0.407 nan 8.230 nan 0.000 0.451 331 T N -3.347 111.181 114.554 -0.044 0.000 3.037 331 T HA 0.370 4.723 4.350 0.006 0.000 0.251 331 T C 1.109 175.832 174.700 0.038 0.000 1.079 331 T CA 0.350 62.438 62.100 -0.020 0.000 1.067 331 T CB 0.262 69.126 68.868 -0.007 0.000 0.948 331 T HN 0.416 nan 8.240 nan 0.000 0.496 332 G N 1.403 110.239 108.800 0.060 0.000 2.796 332 G HA2 -0.188 3.776 3.960 0.006 0.000 0.226 332 G HA3 -0.188 3.776 3.960 0.006 0.000 0.226 332 G C -0.733 174.252 174.900 0.142 0.000 1.381 332 G CA -0.144 45.029 45.100 0.122 0.000 0.867 332 G HN 0.881 nan 8.290 nan 0.000 0.552 333 H N 0.537 119.641 119.070 0.057 0.000 2.661 333 H HA 0.605 5.165 4.556 0.007 0.000 0.290 333 H C 1.438 176.743 175.328 -0.038 0.000 1.082 333 H CA -0.135 55.881 56.048 -0.054 0.000 1.234 333 H CB 0.543 30.179 29.762 -0.210 0.000 1.387 333 H HN 0.843 nan 8.280 nan 0.000 0.476 334 S N 4.887 120.707 115.700 0.199 0.000 2.679 334 S HA 0.190 4.663 4.470 0.006 0.000 0.233 334 S C 1.088 175.693 174.600 0.008 0.000 0.951 334 S CA -0.059 58.183 58.200 0.071 0.000 0.973 334 S CB -0.644 62.594 63.200 0.063 0.000 0.778 334 S HN 0.720 nan 8.310 nan 0.000 0.477 335 L N -0.462 120.684 121.223 -0.129 0.000 5.895 335 L HA -0.326 4.018 4.340 0.006 0.000 0.053 335 L C 2.208 179.075 176.870 -0.005 0.000 2.741 335 L CA 1.198 55.895 54.840 -0.238 0.000 1.500 335 L CB -2.079 39.833 42.059 -0.244 0.000 2.928 335 L HN 0.408 nan 8.230 nan 0.000 1.023 336 G N -0.838 107.976 108.800 0.023 0.000 2.475 336 G HA2 -0.086 3.877 3.960 0.006 0.000 0.220 336 G HA3 -0.086 3.877 3.960 0.006 0.000 0.220 336 G C 1.313 176.246 174.900 0.055 0.000 1.125 336 G CA 1.753 46.888 45.100 0.058 0.000 0.755 336 G HN 0.918 nan 8.290 nan 0.000 0.565 337 A N -0.654 122.196 122.820 0.050 0.000 2.169 337 A HA 0.183 4.507 4.320 0.006 0.000 0.212 337 A C 2.303 179.884 177.584 -0.005 0.000 1.153 337 A CA 1.926 53.978 52.037 0.025 0.000 0.756 337 A CB -0.526 18.492 19.000 0.029 0.000 0.813 337 A HN 0.314 nan 8.150 nan 0.000 0.471 338 T N -0.637 113.934 114.554 0.029 0.000 2.821 338 T HA -0.008 4.346 4.350 0.006 0.000 0.267 338 T C 1.887 176.556 174.700 -0.053 0.000 1.046 338 T CA 1.909 64.016 62.100 0.013 0.000 1.139 338 T CB -0.419 68.501 68.868 0.087 0.000 0.871 338 T HN 0.484 nan 8.240 nan 0.000 0.454 339 G N 0.474 109.254 108.800 -0.034 0.000 2.433 339 G HA2 -0.161 3.803 3.960 0.006 0.000 0.216 339 G HA3 -0.161 3.803 3.960 0.006 0.000 0.216 339 G C 1.693 176.540 174.900 -0.090 0.000 1.186 339 G CA 1.024 46.091 45.100 -0.055 0.000 0.779 339 G HN 0.464 nan 8.290 nan 0.000 0.543 340 V N 0.334 120.194 119.914 -0.090 0.000 2.427 340 V HA -0.164 3.960 4.120 0.006 0.000 0.248 340 V C 2.763 178.705 176.094 -0.254 0.000 1.051 340 V CA 2.633 64.856 62.300 -0.128 0.000 1.048 340 V CB -0.340 31.429 31.823 -0.089 0.000 0.666 340 V HN 0.534 nan 8.190 nan 0.000 0.456 341 Q N -0.429 119.188 119.800 -0.305 0.000 2.084 341 Q HA -0.258 4.085 4.340 0.006 0.000 0.202 341 Q C 2.178 177.586 176.000 -0.987 0.000 0.978 341 Q CA 2.204 57.639 55.803 -0.612 0.000 0.844 341 Q CB -0.179 28.261 28.738 -0.496 0.000 0.898 341 Q HN 0.728 nan 8.270 nan 0.000 0.426 342 E N 0.437 120.322 120.200 -0.526 0.000 2.150 342 E HA -0.145 4.209 4.350 0.006 0.000 0.193 342 E C 1.972 178.434 176.600 -0.230 0.000 0.985 342 E CA 0.719 56.946 56.400 -0.288 0.000 0.814 342 E CB -0.086 29.567 29.700 -0.079 0.000 0.752 342 E HN 0.348 nan 8.360 nan 0.000 0.466 343 A N 1.311 123.984 122.820 -0.245 0.000 1.883 343 A HA -0.199 4.125 4.320 0.006 0.000 0.217 343 A C 2.171 179.489 177.584 -0.444 0.000 1.186 343 A CA 1.186 53.025 52.037 -0.329 0.000 0.624 343 A CB -0.604 18.241 19.000 -0.258 0.000 0.822 343 A HN 0.142 nan 8.150 nan 0.000 0.444 344 I N -1.591 118.724 120.570 -0.425 0.000 2.179 344 I HA -0.273 3.901 4.170 0.006 0.000 0.242 344 I C 2.398 178.372 176.117 -0.238 0.000 1.088 344 I CA 1.334 62.407 61.300 -0.378 0.000 1.357 344 I CB -0.513 37.261 38.000 -0.376 0.000 1.051 344 I HN 0.379 nan 8.210 nan 0.000 0.409 345 Y N 0.918 121.125 120.300 -0.156 0.000 2.165 345 Y HA -0.218 4.335 4.550 0.006 0.000 0.286 345 Y C 2.964 178.766 175.900 -0.163 0.000 1.155 345 Y CA 0.963 58.982 58.100 -0.135 0.000 1.164 345 Y CB -1.418 36.990 38.460 -0.087 0.000 0.978 345 Y HN 0.110 nan 8.280 nan 0.000 0.513 346 S N 0.110 115.815 115.700 0.009 0.000 2.368 346 S HA -0.138 4.336 4.470 0.006 0.000 0.225 346 S C 2.177 176.706 174.600 -0.118 0.000 1.030 346 S CA 1.192 59.395 58.200 0.006 0.000 0.999 346 S CB -0.668 62.581 63.200 0.081 0.000 0.844 346 S HN 0.350 nan 8.310 nan 0.000 0.459 347 L N 0.951 122.047 121.223 -0.213 0.000 2.131 347 L HA -0.066 4.278 4.340 0.006 0.000 0.210 347 L C 2.155 178.955 176.870 -0.116 0.000 1.092 347 L CA 0.900 55.627 54.840 -0.190 0.000 0.759 347 L CB -0.524 41.361 42.059 -0.289 0.000 0.903 347 L HN 0.284 nan 8.230 nan 0.000 0.435 348 L N -1.229 119.915 121.223 -0.131 0.000 2.109 348 L HA -0.175 4.169 4.340 0.006 0.000 0.207 348 L C 2.609 179.353 176.870 -0.211 0.000 1.086 348 L CA 1.096 55.876 54.840 -0.100 0.000 0.760 348 L CB -0.308 41.719 42.059 -0.054 0.000 0.910 348 L HN 0.289 nan 8.230 nan 0.000 0.437 349 M N -1.068 118.313 119.600 -0.365 0.000 2.132 349 M HA -0.255 4.228 4.480 0.006 0.000 0.263 349 M C 2.412 178.454 176.300 -0.431 0.000 1.065 349 M CA 1.820 56.699 55.300 -0.701 0.000 1.122 349 M CB -0.272 31.841 32.600 -0.811 0.000 1.365 349 M HN 0.290 nan 8.290 nan 0.000 0.411 350 M N 0.223 119.681 119.600 -0.237 0.000 2.117 350 M HA -0.283 4.201 4.480 0.006 0.000 0.262 350 M C 2.240 178.496 176.300 -0.073 0.000 1.065 350 M CA 1.863 57.090 55.300 -0.121 0.000 1.114 350 M CB -0.233 32.337 32.600 -0.050 0.000 1.361 350 M HN 0.246 nan 8.290 nan 0.000 0.408 351 Q N 0.030 119.803 119.800 -0.044 0.000 2.135 351 Q HA -0.196 4.148 4.340 0.006 0.000 0.204 351 Q C 0.869 176.875 176.000 0.010 0.000 0.981 351 Q CA 1.702 57.510 55.803 0.010 0.000 0.856 351 Q CB -0.041 28.741 28.738 0.073 0.000 0.902 351 Q HN 0.600 nan 8.270 nan 0.000 0.425 352 N N 0.256 118.951 118.700 -0.009 0.000 2.230 352 N HA 0.052 4.796 4.740 0.006 0.000 0.202 352 N C -0.817 174.774 175.510 0.134 0.000 1.119 352 N CA 0.407 53.516 53.050 0.099 0.000 0.851 352 N CB 0.372 39.010 38.487 0.252 0.000 0.990 352 N HN 0.322 nan 8.380 nan 0.000 0.497 353 N N 0.208 118.912 118.700 0.005 0.000 2.758 353 N HA -0.202 4.542 4.740 0.006 0.000 0.248 353 N C -1.143 174.431 175.510 0.105 0.000 1.076 353 N CA 0.508 53.572 53.050 0.024 0.000 0.696 353 N CB -1.666 36.850 38.487 0.048 0.000 0.979 353 N HN 0.384 nan 8.380 nan 0.000 0.550 354 F N -2.072 117.824 119.950 -0.089 0.000 2.645 354 F HA 0.769 5.300 4.527 0.006 0.000 0.310 354 F C -1.277 174.412 175.800 -0.184 0.000 1.102 354 F CA -1.444 56.489 58.000 -0.112 0.000 0.952 354 F CB 1.250 40.192 39.000 -0.098 0.000 1.326 354 F HN -0.163 nan 8.300 nan 0.000 0.456 355 I N 3.297 123.832 120.570 -0.059 0.000 2.389 355 I HA 0.362 4.536 4.170 0.006 0.000 0.288 355 I C 0.020 176.144 176.117 0.012 0.000 0.999 355 I CA -1.005 60.138 61.300 -0.262 0.000 1.129 355 I CB 1.498 39.341 38.000 -0.261 0.000 1.288 355 I HN 1.051 nan 8.210 nan 0.000 0.444 356 C N 2.970 122.261 119.300 -0.015 0.000 2.689 356 C HA 0.229 4.692 4.460 0.006 0.000 0.409 356 C C 0.796 175.791 174.990 0.009 0.000 1.293 356 C CA -0.681 58.392 59.018 0.091 0.000 2.136 356 C CB 0.171 27.942 27.740 0.051 0.000 2.719 356 C HN 0.914 nan 8.230 nan 0.000 0.644 357 E N 1.171 121.367 120.200 -0.007 0.000 2.437 357 E HA 0.042 4.396 4.350 0.006 0.000 0.263 357 E C 0.023 176.604 176.600 -0.033 0.000 1.030 357 E CA 0.226 56.610 56.400 -0.026 0.000 0.934 357 E CB 0.531 30.197 29.700 -0.056 0.000 0.943 357 E HN 0.812 nan 8.360 nan 0.000 0.444 358 S N 2.563 118.260 115.700 -0.003 0.000 2.485 358 S HA 0.363 4.837 4.470 0.006 0.000 0.312 358 S C -0.309 174.260 174.600 -0.053 0.000 1.102 358 S CA -0.305 57.902 58.200 0.013 0.000 1.066 358 S CB -0.150 63.117 63.200 0.112 0.000 1.102 358 S HN 0.558 nan 8.310 nan 0.000 0.519 359 A N 3.636 126.347 122.820 -0.182 0.000 2.366 359 A HA 0.447 4.771 4.320 0.006 0.000 0.249 359 A C 0.483 177.873 177.584 -0.322 0.000 1.084 359 A CA 0.122 51.920 52.037 -0.398 0.000 0.794 359 A CB -0.313 18.209 19.000 -0.796 0.000 1.034 359 A HN 1.166 nan 8.150 nan 0.000 0.491 360 H N -1.657 117.397 119.070 -0.028 0.000 2.992 360 H HA -0.136 4.423 4.556 0.005 0.000 0.266 360 H C -0.513 174.796 175.328 -0.031 0.000 1.200 360 H CA 0.550 56.567 56.048 -0.051 0.000 1.135 360 H CB -1.909 27.794 29.762 -0.097 0.000 1.282 360 H HN 0.519 nan 8.280 nan 0.000 0.351 361 I N 1.737 122.353 120.570 0.076 0.000 2.256 361 I HA 0.011 4.185 4.170 0.006 0.000 0.294 361 I C 1.236 177.396 176.117 0.072 0.000 1.127 361 I CA 0.355 61.707 61.300 0.086 0.000 1.247 361 I CB 0.657 38.719 38.000 0.104 0.000 1.460 361 I HN 0.322 nan 8.210 nan 0.000 0.511 362 E N 3.915 124.156 120.200 0.068 0.000 2.170 362 E HA -0.030 4.324 4.350 0.006 0.000 0.191 362 E C 0.524 177.161 176.600 0.061 0.000 0.981 362 E CA 0.628 57.064 56.400 0.059 0.000 0.830 362 E CB 0.443 30.176 29.700 0.055 0.000 0.775 362 E HN 0.553 nan 8.360 nan 0.000 0.470 363 E N 1.026 121.270 120.200 0.073 0.000 2.317 363 E HA 0.166 4.520 4.350 0.006 0.000 0.270 363 E C -1.470 175.183 176.600 0.088 0.000 0.899 363 E CA -0.579 55.863 56.400 0.069 0.000 0.814 363 E CB 1.135 30.873 29.700 0.063 0.000 1.296 363 E HN -0.068 nan 8.360 nan 0.000 0.404 364 L N 4.083 125.359 121.223 0.089 0.000 2.490 364 L HA 0.132 4.475 4.340 0.006 0.000 0.274 364 L C 0.061 176.986 176.870 0.092 0.000 1.201 364 L CA 0.360 55.274 54.840 0.125 0.000 0.869 364 L CB 0.686 42.812 42.059 0.113 0.000 1.123 364 L HN 0.552 nan 8.230 nan 0.000 0.484 365 D N 6.713 127.181 120.400 0.114 0.000 2.472 365 D HA 0.008 4.652 4.640 0.006 0.000 0.248 365 D C -1.739 174.470 176.300 -0.151 0.000 1.174 365 D CA -1.290 52.674 54.000 -0.060 0.000 0.883 365 D CB 1.467 42.152 40.800 -0.192 0.000 1.149 365 D HN 0.412 nan 8.370 nan 0.000 0.488 366 P HA -0.107 nan 4.420 nan 0.000 0.221 366 P C 0.874 178.081 177.300 -0.155 0.000 1.145 366 P CA 1.135 64.177 63.100 -0.097 0.000 0.795 366 P CB 0.136 31.797 31.700 -0.064 0.000 0.775 367 A N -1.485 121.131 122.820 -0.340 0.000 2.070 367 A HA -0.136 4.188 4.320 0.006 0.000 0.220 367 A C 1.124 178.583 177.584 -0.209 0.000 1.159 367 A CA 1.308 53.123 52.037 -0.371 0.000 0.656 367 A CB -1.274 17.368 19.000 -0.596 0.000 0.800 367 A HN 0.142 nan 8.150 nan 0.000 0.453 368 F N -1.514 118.450 119.950 0.023 0.000 2.654 368 F HA 0.456 5.004 4.527 0.035 0.000 0.303 368 F C 1.997 177.774 175.800 -0.038 0.000 1.099 368 F CA -0.762 57.224 58.000 -0.023 0.000 1.270 368 F CB -0.738 38.228 39.000 -0.055 0.000 1.024 368 F HN 0.179 nan 8.300 nan 0.000 0.548 369 A N 0.501 123.378 122.820 0.095 0.000 2.121 369 A HA -0.163 4.161 4.320 0.006 0.000 0.218 369 A C 1.913 179.523 177.584 0.044 0.000 1.154 369 A CA 1.823 53.893 52.037 0.056 0.000 0.679 369 A CB -0.622 18.394 19.000 0.026 0.000 0.795 369 A HN 0.380 nan 8.150 nan 0.000 0.458 370 D N -1.520 118.911 120.400 0.051 0.000 2.340 370 D HA 0.031 4.675 4.640 0.006 0.000 0.220 370 D C 0.488 176.802 176.300 0.023 0.000 1.039 370 D CA 0.197 54.219 54.000 0.036 0.000 0.866 370 D CB -0.144 40.681 40.800 0.041 0.000 0.913 370 D HN 0.209 nan 8.370 nan 0.000 0.523 371 M N 1.171 120.780 119.600 0.014 0.000 2.537 371 M HA 0.305 4.788 4.480 0.006 0.000 0.324 371 M C -2.362 173.903 176.300 -0.060 0.000 1.187 371 M CA -2.744 52.535 55.300 -0.035 0.000 0.993 371 M CB 1.252 33.800 32.600 -0.086 0.000 1.666 371 M HN -0.280 nan 8.290 nan 0.000 0.461 372 P HA 0.281 nan 4.420 nan 0.000 0.218 372 P C -0.385 176.866 177.300 -0.083 0.000 1.793 372 P CA 0.049 63.113 63.100 -0.060 0.000 0.941 372 P CB -0.615 31.056 31.700 -0.049 0.000 1.919 373 I N 0.811 121.312 120.570 -0.116 0.000 2.533 373 I HA 0.015 4.189 4.170 0.006 0.000 0.284 373 I C 0.790 176.887 176.117 -0.034 0.000 1.109 373 I CA -0.406 60.817 61.300 -0.129 0.000 1.412 373 I CB 1.044 38.901 38.000 -0.238 0.000 1.396 373 I HN -0.102 nan 8.210 nan 0.000 0.543 374 V N 8.499 128.415 119.914 0.003 0.000 2.439 374 V HA 0.116 4.240 4.120 0.006 0.000 0.271 374 V C 1.281 177.385 176.094 0.016 0.000 1.040 374 V CA -0.250 62.060 62.300 0.016 0.000 1.002 374 V CB 0.590 32.433 31.823 0.033 0.000 1.000 374 V HN 0.686 nan 8.190 nan 0.000 0.477 375 R N 3.137 123.643 120.500 0.010 0.000 2.265 375 R HA 0.262 4.606 4.340 0.006 0.000 0.194 375 R C 0.608 176.907 176.300 -0.001 0.000 0.931 375 R CA 0.389 56.495 56.100 0.010 0.000 1.032 375 R CB -0.070 30.238 30.300 0.013 0.000 0.980 375 R HN 0.675 nan 8.270 nan 0.000 0.497 376 K N 1.160 121.557 120.400 -0.005 0.000 2.523 376 K HA 0.377 4.700 4.320 0.006 0.000 0.257 376 K C -0.666 175.927 176.600 -0.011 0.000 0.932 376 K CA -0.866 55.413 56.287 -0.013 0.000 0.812 376 K CB 1.560 34.053 32.500 -0.012 0.000 1.326 376 K HN 0.088 nan 8.250 nan 0.000 0.433 377 R N 1.474 121.962 120.500 -0.020 0.000 2.583 377 R HA 0.174 4.518 4.340 0.006 0.000 0.274 377 R C -0.480 175.823 176.300 0.005 0.000 0.998 377 R CA 0.160 56.258 56.100 -0.004 0.000 1.081 377 R CB -0.234 30.039 30.300 -0.046 0.000 0.940 377 R HN 0.638 nan 8.270 nan 0.000 0.413 378 I N 4.642 125.232 120.570 0.033 0.000 2.312 378 I HA 0.162 4.336 4.170 0.006 0.000 0.290 378 I C -0.224 175.929 176.117 0.060 0.000 1.008 378 I CA -0.495 60.822 61.300 0.028 0.000 1.226 378 I CB 1.479 39.487 38.000 0.014 0.000 1.371 378 I HN 0.534 nan 8.210 nan 0.000 0.468 379 D N 5.571 125.991 120.400 0.034 0.000 2.326 379 D HA 0.244 4.887 4.640 0.006 0.000 0.251 379 D C 0.137 176.458 176.300 0.034 0.000 1.023 379 D CA -0.245 53.781 54.000 0.043 0.000 0.966 379 D CB 0.974 41.772 40.800 -0.003 0.000 1.156 379 D HN 0.429 nan 8.370 nan 0.000 0.494 380 N N -0.403 118.323 118.700 0.042 0.000 2.725 380 N HA -0.172 4.571 4.740 0.006 0.000 0.251 380 N C -0.727 174.795 175.510 0.019 0.000 1.031 380 N CA 0.326 53.391 53.050 0.026 0.000 0.720 380 N CB -1.193 37.301 38.487 0.012 0.000 0.930 380 N HN 0.195 nan 8.380 nan 0.000 0.543 381 V N 0.431 120.359 119.914 0.022 0.000 2.459 381 V HA 0.283 4.407 4.120 0.006 0.000 0.295 381 V C 0.182 176.275 176.094 -0.002 0.000 1.029 381 V CA -0.673 61.631 62.300 0.007 0.000 0.874 381 V CB 1.998 33.822 31.823 0.000 0.000 0.985 381 V HN 0.284 nan 8.190 nan 0.000 0.438 382 Q N 5.948 125.747 119.800 -0.002 0.000 2.349 382 Q HA 0.480 4.824 4.340 0.006 0.000 0.254 382 Q C -1.341 174.656 176.000 -0.005 0.000 0.980 382 Q CA -0.409 55.391 55.803 -0.004 0.000 0.924 382 Q CB 0.975 29.713 28.738 -0.001 0.000 1.209 382 Q HN 0.792 nan 8.270 nan 0.000 0.445 383 L N 4.410 125.624 121.223 -0.014 0.000 2.276 383 L HA 0.308 4.652 4.340 0.006 0.000 0.286 383 L C 0.488 177.366 176.870 0.013 0.000 1.061 383 L CA -0.572 54.267 54.840 -0.002 0.000 0.807 383 L CB 0.941 42.984 42.059 -0.027 0.000 1.177 383 L HN 0.715 nan 8.230 nan 0.000 0.429 384 N N 0.425 119.141 118.700 0.028 0.000 2.397 384 N HA 0.095 4.839 4.740 0.006 0.000 0.190 384 N C -0.262 175.282 175.510 0.056 0.000 1.099 384 N CA 0.359 53.430 53.050 0.035 0.000 0.876 384 N CB 1.034 39.536 38.487 0.025 0.000 1.143 384 N HN 0.520 nan 8.380 nan 0.000 0.468 385 T N 0.750 115.343 114.554 0.065 0.000 2.991 385 T HA 0.519 4.873 4.350 0.006 0.000 0.303 385 T C -0.604 174.152 174.700 0.093 0.000 1.015 385 T CA -0.740 61.409 62.100 0.081 0.000 1.007 385 T CB 2.427 71.336 68.868 0.067 0.000 1.034 385 T HN -0.050 nan 8.240 nan 0.000 0.446 386 V N 1.655 121.644 119.914 0.124 0.000 2.789 386 V HA 0.893 5.017 4.120 0.006 0.000 0.311 386 V C -0.944 175.210 176.094 0.101 0.000 1.073 386 V CA -1.130 61.246 62.300 0.127 0.000 0.921 386 V CB 1.899 33.847 31.823 0.210 0.000 1.009 386 V HN 0.910 nan 8.190 nan 0.000 0.426 387 L N 4.173 125.390 121.223 -0.011 0.000 2.346 387 L HA 0.921 5.265 4.340 0.006 0.000 0.276 387 L C -0.083 176.741 176.870 -0.078 0.000 1.006 387 L CA -0.130 54.700 54.840 -0.018 0.000 0.817 387 L CB 2.176 44.229 42.059 -0.010 0.000 1.272 387 L HN 1.097 nan 8.230 nan 0.000 0.421 388 S N 2.536 118.223 115.700 -0.021 0.000 2.594 388 S HA 0.605 5.079 4.470 0.006 0.000 0.296 388 S C -1.052 173.489 174.600 -0.097 0.000 1.124 388 S CA -1.022 57.139 58.200 -0.065 0.000 1.011 388 S CB 1.405 64.609 63.200 0.007 0.000 1.016 388 S HN 0.620 nan 8.310 nan 0.000 0.485 389 N N 1.451 120.033 118.700 -0.196 0.000 2.487 389 N HA 0.620 5.364 4.740 0.006 0.000 0.292 389 N C -1.063 174.158 175.510 -0.483 0.000 1.108 389 N CA -0.346 52.460 53.050 -0.406 0.000 0.956 389 N CB 1.847 39.951 38.487 -0.638 0.000 1.176 389 N HN 0.648 nan 8.380 nan 0.000 0.484 390 S N 1.133 116.490 115.700 -0.573 0.000 2.619 390 S HA 0.651 5.124 4.470 0.006 0.000 0.280 390 S C -1.696 172.668 174.600 -0.393 0.000 1.150 390 S CA -0.549 57.420 58.200 -0.385 0.000 0.978 390 S CB 0.112 63.233 63.200 -0.132 0.000 1.041 390 S HN 0.277 nan 8.310 nan 0.000 0.485 391 F N 1.604 121.306 119.950 -0.413 0.000 2.546 391 F HA 0.813 5.342 4.527 0.004 0.000 0.320 391 F C 0.825 176.452 175.800 -0.289 0.000 1.076 391 F CA -1.040 56.704 58.000 -0.427 0.000 0.928 391 F CB 1.899 40.554 39.000 -0.574 0.000 1.189 391 F HN 0.610 nan 8.300 nan 0.000 0.465 392 G N 0.895 109.783 108.800 0.147 0.000 2.569 392 G HA2 0.557 4.521 3.960 0.006 0.000 0.300 392 G HA3 0.557 4.521 3.960 0.006 0.000 0.300 392 G C -1.041 174.042 174.900 0.305 0.000 1.269 392 G CA -0.855 44.351 45.100 0.177 0.000 0.959 392 G HN 0.477 nan 8.290 nan 0.000 0.478 393 F N 0.096 120.132 119.950 0.144 0.000 2.628 393 F HA 0.237 4.767 4.527 0.005 0.000 0.362 393 F C 1.709 177.566 175.800 0.094 0.000 1.148 393 F CA 1.282 59.355 58.000 0.122 0.000 1.352 393 F CB 0.766 39.844 39.000 0.130 0.000 1.081 393 F HN 0.870 nan 8.300 nan 0.000 0.605 394 G N 1.242 110.176 108.800 0.224 0.000 2.143 394 G HA2 -0.091 3.873 3.960 0.006 0.000 0.249 394 G HA3 -0.091 3.873 3.960 0.006 0.000 0.249 394 G C 0.711 175.680 174.900 0.114 0.000 0.981 394 G CA 0.157 45.335 45.100 0.131 0.000 0.665 394 G HN 1.798 nan 8.290 nan 0.000 0.528 395 G N -1.381 107.496 108.800 0.130 0.000 2.198 395 G HA2 0.049 4.013 3.960 0.006 0.000 0.260 395 G HA3 0.049 4.013 3.960 0.006 0.000 0.260 395 G C 0.435 175.387 174.900 0.086 0.000 1.025 395 G CA 1.407 46.564 45.100 0.095 0.000 0.769 395 G HN 1.996 nan 8.290 nan 0.000 0.507 396 T N 0.477 115.113 114.554 0.136 0.000 2.799 396 T HA 0.569 4.922 4.350 0.006 0.000 0.286 396 T C -0.068 174.766 174.700 0.224 0.000 0.973 396 T CA -0.527 61.683 62.100 0.183 0.000 1.035 396 T CB 0.343 69.345 68.868 0.223 0.000 0.932 396 T HN 0.296 nan 8.240 nan 0.000 0.469 397 N N 2.945 121.782 118.700 0.227 0.000 2.284 397 N HA 0.694 5.438 4.740 0.006 0.000 0.300 397 N C -1.308 174.335 175.510 0.222 0.000 1.047 397 N CA -0.596 52.612 53.050 0.264 0.000 0.821 397 N CB 2.102 40.597 38.487 0.013 0.000 1.337 397 N HN 0.754 nan 8.380 nan 0.000 0.482 398 A N 0.887 123.794 122.820 0.145 0.000 2.455 398 A HA 0.768 5.092 4.320 0.006 0.000 0.300 398 A C -0.814 176.795 177.584 0.041 0.000 1.040 398 A CA -0.495 51.509 52.037 -0.055 0.000 0.697 398 A CB 1.339 20.024 19.000 -0.524 0.000 1.265 398 A HN 0.439 nan 8.150 nan 0.000 0.407 399 T N 2.231 116.836 114.554 0.085 0.000 2.886 399 T HA 0.641 4.995 4.350 0.006 0.000 0.292 399 T C -0.763 173.979 174.700 0.069 0.000 1.012 399 T CA -0.255 61.881 62.100 0.060 0.000 0.982 399 T CB 0.991 69.913 68.868 0.091 0.000 1.018 399 T HN 0.507 nan 8.240 nan 0.000 0.451 400 L N 2.308 123.521 121.223 -0.017 0.000 2.354 400 L HA 0.838 5.182 4.340 0.006 0.000 0.269 400 L C -0.902 175.841 176.870 -0.212 0.000 1.005 400 L CA -1.181 53.555 54.840 -0.172 0.000 0.819 400 L CB 2.161 44.051 42.059 -0.281 0.000 1.311 400 L HN 0.333 nan 8.230 nan 0.000 0.423 401 V N 2.091 121.783 119.914 -0.371 0.000 2.531 401 V HA 0.499 4.623 4.120 0.006 0.000 0.301 401 V C -0.847 174.982 176.094 -0.442 0.000 1.034 401 V CA -0.499 61.658 62.300 -0.237 0.000 0.865 401 V CB 1.727 33.497 31.823 -0.088 0.000 0.995 401 V HN 0.389 nan 8.190 nan 0.000 0.424 402 F N 2.608 122.529 119.950 -0.049 0.000 2.522 402 F HA 0.720 5.250 4.527 0.006 0.000 0.324 402 F C 0.136 175.933 175.800 -0.005 0.000 1.077 402 F CA -0.494 57.479 58.000 -0.045 0.000 0.944 402 F CB 1.973 40.948 39.000 -0.041 0.000 1.175 402 F HN 0.413 nan 8.300 nan 0.000 0.468 403 Q N 2.191 122.103 119.800 0.186 0.000 2.372 403 Q HA 0.366 4.710 4.340 0.006 0.000 0.273 403 Q C -0.723 175.358 176.000 0.135 0.000 1.078 403 Q CA -1.125 54.755 55.803 0.129 0.000 0.806 403 Q CB 2.152 30.944 28.738 0.090 0.000 1.332 403 Q HN 0.702 nan 8.270 nan 0.000 0.435 404 R N 2.765 123.325 120.500 0.100 0.000 2.484 404 R HA -0.020 4.324 4.340 0.006 0.000 0.293 404 R C -1.225 175.140 176.300 0.108 0.000 1.023 404 R CA 0.080 56.234 56.100 0.091 0.000 1.037 404 R CB 0.299 30.627 30.300 0.046 0.000 0.951 404 R HN 0.646 nan 8.270 nan 0.000 0.418 405 Y N 4.342 124.648 120.300 0.011 0.000 2.436 405 Y HA 0.038 4.592 4.550 0.006 0.000 0.336 405 Y C -0.151 175.747 175.900 -0.003 0.000 1.049 405 Y CA 0.484 58.587 58.100 0.005 0.000 1.294 405 Y CB 0.893 39.352 38.460 -0.001 0.000 1.179 405 Y HN 0.640 nan 8.280 nan 0.000 0.520 406 Q N 5.177 124.614 119.800 -0.606 0.000 2.089 406 Q HA 0.367 4.711 4.340 0.006 0.000 0.248 406 Q C 0.119 175.754 176.000 -0.608 0.000 0.828 406 Q CA 0.113 55.625 55.803 -0.484 0.000 1.102 406 Q CB 0.965 29.574 28.738 -0.214 0.000 1.221 406 Q HN 1.060 nan 8.270 nan 0.000 0.455 407 G N 0.000 108.085 108.800 -1.192 0.000 5.446 407 G HA2 0.000 3.964 3.960 0.006 0.000 0.244 407 G HA3 0.000 3.964 3.960 0.006 0.000 0.244 407 G CA 0.000 44.751 45.100 -0.582 0.000 0.502 407 G HN 0.000 nan 8.290 nan 0.000 0.925