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 2cxe_1_C DATA FIRST_RESID 9 DATA SEQUENCE EWYLDFVDLN YEPGRDELIV EYYFEPNGVS PEEAAGRIAS ESSIGTWTTL DATA SEQUENCE WKLPEMAKRS MAKVFYLEKH GEGYIAKIAY PLTLFEEGSL VQLFSAVAGN DATA SEQUENCE VFGMKALKNL RLLDFHPPYE YLRHFKGPQF GVQGIREFMG VKDRPLTATV DATA SEQUENCE PKPKMGWSVE EYAEIAYELW SGGIDLLKDD ENFTSFPFNR FEERVRKLYR DATA SEQUENCE VRDRVEAETG ETKEYLINIT GPVNIMEKRA EMVANEGGQY VMIDIVVAGW DATA SEQUENCE SALQYMREVT EDLGLAIHAH RAMHAAFTRN PRHGITMLAL AKAARMIGVD DATA SEQUENCE QIHTGTAVGK MAGNYEEIKR INDFLLSKWE HIRPVFPVAS GGLHPGLMPE DATA SEQUENCE LIRLFGKDLV IQAGGGVMGH PDGPRAGAKA LRDAIDAAIE GVDLDEKAKS DATA SEQUENCE SPELKKSLRE VGLSKA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 E HA 0.000 nan 4.350 nan 0.000 0.291 9 E C 0.000 176.647 176.600 0.079 0.000 1.382 9 E CA 0.000 56.418 56.400 0.031 0.000 0.976 9 E CB 0.000 29.725 29.700 0.041 0.000 0.812 10 W N 2.388 123.524 121.300 -0.273 0.000 2.253 10 W HA 0.274 4.935 4.660 0.002 0.000 0.348 10 W C -0.245 176.163 176.519 -0.186 0.000 0.920 10 W CA -0.727 56.522 57.345 -0.160 0.000 1.518 10 W CB 0.267 29.672 29.460 -0.092 0.000 1.446 10 W HN 0.057 nan 8.180 nan 0.000 0.361 11 Y N 1.569 121.921 120.300 0.088 0.000 2.588 11 Y HA -0.338 4.213 4.550 0.002 0.000 0.279 11 Y C 1.875 177.628 175.900 -0.244 0.000 1.171 11 Y CA 0.754 58.842 58.100 -0.019 0.000 1.425 11 Y CB -0.494 37.939 38.460 -0.045 0.000 0.960 11 Y HN 0.376 nan 8.280 nan 0.000 0.585 12 L N -0.593 120.265 121.223 -0.607 0.000 2.202 12 L HA -0.059 4.283 4.340 0.002 0.000 0.205 12 L C 1.524 178.193 176.870 -0.335 0.000 1.083 12 L CA 1.272 55.761 54.840 -0.585 0.000 0.790 12 L CB -1.127 40.295 42.059 -1.063 0.000 0.942 12 L HN 0.164 nan 8.230 nan 0.000 0.452 13 D N 0.117 120.311 120.400 -0.342 0.000 2.149 13 D HA -0.222 4.420 4.640 0.002 0.000 0.198 13 D C 1.830 178.012 176.300 -0.197 0.000 0.990 13 D CA 1.133 54.983 54.000 -0.249 0.000 0.839 13 D CB -0.261 40.345 40.800 -0.323 0.000 0.948 13 D HN 0.143 nan 8.370 nan 0.000 0.460 14 F N 0.333 120.191 119.950 -0.154 0.000 2.722 14 F HA 0.025 4.553 4.527 0.003 0.000 0.298 14 F C 0.673 176.398 175.800 -0.126 0.000 1.175 14 F CA 0.160 58.081 58.000 -0.132 0.000 1.462 14 F CB -0.392 38.531 39.000 -0.127 0.000 1.111 14 F HN -0.212 nan 8.300 nan 0.000 0.592 15 V N -1.389 118.549 119.914 0.039 0.000 2.914 15 V HA 0.611 4.733 4.120 0.002 0.000 0.314 15 V C -0.849 175.243 176.094 -0.003 0.000 1.084 15 V CA -1.005 61.295 62.300 -0.000 0.000 0.963 15 V CB 2.359 34.164 31.823 -0.031 0.000 1.025 15 V HN -0.036 nan 8.190 nan 0.000 0.432 16 D N 2.296 122.712 120.400 0.027 0.000 2.266 16 D HA 0.153 4.795 4.640 0.002 0.000 0.218 16 D C -0.236 176.127 176.300 0.105 0.000 1.311 16 D CA -0.372 53.669 54.000 0.068 0.000 0.918 16 D CB 0.973 41.839 40.800 0.109 0.000 1.530 16 D HN 0.454 nan 8.370 nan 0.000 0.514 17 L N 2.738 123.996 121.223 0.059 0.000 2.650 17 L HA 0.232 4.573 4.340 0.002 0.000 0.235 17 L C 1.644 178.551 176.870 0.061 0.000 1.149 17 L CA 0.424 55.287 54.840 0.039 0.000 0.887 17 L CB -0.246 41.797 42.059 -0.027 0.000 1.021 17 L HN 0.330 nan 8.230 nan 0.000 0.441 18 N N -1.787 116.984 118.700 0.119 0.000 2.463 18 N HA -0.039 4.703 4.740 0.002 0.000 0.183 18 N C 0.299 175.938 175.510 0.216 0.000 1.064 18 N CA -0.371 52.757 53.050 0.130 0.000 0.879 18 N CB 0.449 38.984 38.487 0.080 0.000 1.148 18 N HN 0.083 nan 8.380 nan 0.000 0.451 19 Y N 2.802 123.171 120.300 0.115 0.000 2.904 19 Y HA -0.120 4.431 4.550 0.002 0.000 0.336 19 Y C -0.475 175.539 175.900 0.190 0.000 1.263 19 Y CA 0.379 58.558 58.100 0.132 0.000 1.547 19 Y CB 0.279 38.818 38.460 0.132 0.000 1.272 19 Y HN 0.037 nan 8.280 nan 0.000 0.596 20 E N 7.801 128.036 120.200 0.057 0.000 2.182 20 E HA 0.278 4.630 4.350 0.002 0.000 0.258 20 E C -2.592 173.839 176.600 -0.282 0.000 0.879 20 E CA -2.098 54.313 56.400 0.019 0.000 0.754 20 E CB 1.026 30.732 29.700 0.011 0.000 1.162 20 E HN 0.417 nan 8.360 nan 0.000 0.419 21 P HA 0.160 nan 4.420 nan 0.000 0.286 21 P C -0.175 177.134 177.300 0.016 0.000 1.269 21 P CA -0.312 62.883 63.100 0.159 0.000 0.787 21 P CB 1.402 32.950 31.700 -0.254 0.000 0.920 22 G N 3.085 111.903 108.800 0.030 0.000 2.425 22 G HA2 0.184 4.145 3.960 0.002 0.000 0.302 22 G HA3 0.184 4.145 3.960 0.002 0.000 0.302 22 G C 0.958 175.883 174.900 0.042 0.000 1.159 22 G CA -0.656 44.459 45.100 0.025 0.000 0.865 22 G HN 0.315 nan 8.290 nan 0.000 0.515 23 R N 0.254 120.781 120.500 0.045 0.000 2.208 23 R HA -0.193 4.148 4.340 0.002 0.000 0.262 23 R C 1.284 177.643 176.300 0.098 0.000 1.166 23 R CA 1.986 58.125 56.100 0.065 0.000 0.987 23 R CB -0.050 30.282 30.300 0.054 0.000 0.887 23 R HN 0.663 nan 8.270 nan 0.000 0.459 24 D N 0.127 120.586 120.400 0.098 0.000 2.706 24 D HA 0.058 4.699 4.640 0.002 0.000 0.236 24 D C -0.612 175.764 176.300 0.127 0.000 1.231 24 D CA -0.117 53.956 54.000 0.122 0.000 0.828 24 D CB -0.260 40.606 40.800 0.111 0.000 1.015 24 D HN 0.258 nan 8.370 nan 0.000 0.484 25 E N -0.471 119.797 120.200 0.114 0.000 2.390 25 E HA 0.345 4.697 4.350 0.002 0.000 0.277 25 E C -1.357 175.302 176.600 0.099 0.000 0.939 25 E CA -1.214 55.253 56.400 0.112 0.000 0.769 25 E CB 2.106 31.851 29.700 0.074 0.000 1.251 25 E HN -0.031 nan 8.360 nan 0.000 0.450 26 L N 2.901 124.200 121.223 0.126 0.000 2.261 26 L HA 0.368 4.709 4.340 0.002 0.000 0.289 26 L C -1.403 175.591 176.870 0.206 0.000 1.059 26 L CA -0.132 54.778 54.840 0.116 0.000 0.816 26 L CB 0.160 42.244 42.059 0.042 0.000 1.191 26 L HN 0.386 nan 8.230 nan 0.000 0.431 27 I N 5.631 126.303 120.570 0.170 0.000 2.362 27 I HA 0.464 4.636 4.170 0.002 0.000 0.289 27 I C -0.470 175.753 176.117 0.178 0.000 0.994 27 I CA -0.623 60.794 61.300 0.195 0.000 1.158 27 I CB 1.676 39.776 38.000 0.167 0.000 1.315 27 I HN 0.111 nan 8.210 nan 0.000 0.451 28 V N 5.339 125.340 119.914 0.145 0.000 2.435 28 V HA 0.438 4.559 4.120 0.002 0.000 0.290 28 V C -0.083 175.857 176.094 -0.257 0.000 1.030 28 V CA -0.684 61.567 62.300 -0.081 0.000 0.881 28 V CB 1.451 33.268 31.823 -0.010 0.000 0.983 28 V HN 0.719 nan 8.190 nan 0.000 0.445 29 E N 3.800 123.795 120.200 -0.342 0.000 2.171 29 E HA 0.583 4.935 4.350 0.002 0.000 0.271 29 E C -1.684 174.685 176.600 -0.385 0.000 0.916 29 E CA -0.546 55.684 56.400 -0.283 0.000 0.774 29 E CB 1.827 31.407 29.700 -0.200 0.000 1.128 29 E HN 0.601 nan 8.360 nan 0.000 0.403 30 Y N 1.032 121.330 120.300 -0.004 0.000 2.528 30 Y HA 0.374 4.925 4.550 0.002 0.000 0.335 30 Y C -0.765 175.258 175.900 0.205 0.000 1.093 30 Y CA -1.022 57.122 58.100 0.073 0.000 1.134 30 Y CB 1.176 39.658 38.460 0.037 0.000 1.253 30 Y HN 0.508 nan 8.280 nan 0.000 0.478 31 Y N 4.468 124.983 120.300 0.359 0.000 2.376 31 Y HA 0.644 5.196 4.550 0.003 0.000 0.340 31 Y C -1.525 174.635 175.900 0.433 0.000 0.965 31 Y CA -2.378 55.904 58.100 0.302 0.000 1.078 31 Y CB 0.863 39.421 38.460 0.164 0.000 1.193 31 Y HN 0.490 nan 8.280 nan 0.000 0.452 32 F N 1.593 121.838 119.950 0.492 0.000 2.745 32 F HA 0.803 5.332 4.527 0.002 0.000 0.316 32 F C -2.007 174.046 175.800 0.421 0.000 1.155 32 F CA -1.299 56.971 58.000 0.450 0.000 0.937 32 F CB 1.683 40.790 39.000 0.179 0.000 1.361 32 F HN 0.369 nan 8.300 nan 0.000 0.472 33 E N 2.078 122.593 120.200 0.525 0.000 2.302 33 E HA 0.389 4.740 4.350 0.002 0.000 0.263 33 E C -2.850 173.968 176.600 0.362 0.000 0.897 33 E CA -2.037 54.565 56.400 0.337 0.000 0.809 33 E CB 2.403 32.281 29.700 0.297 0.000 1.270 33 E HN 0.281 nan 8.360 nan 0.000 0.410 34 P HA 0.075 nan 4.420 nan 0.000 0.275 34 P C -0.436 176.962 177.300 0.165 0.000 1.266 34 P CA -0.338 62.909 63.100 0.246 0.000 0.793 34 P CB 0.542 32.354 31.700 0.186 0.000 1.074 35 N N -0.078 118.691 118.700 0.115 0.000 2.732 35 N HA 0.204 4.946 4.740 0.002 0.000 0.230 35 N C -0.184 175.360 175.510 0.058 0.000 1.487 35 N CA 0.129 53.232 53.050 0.089 0.000 0.765 35 N CB -0.374 38.170 38.487 0.095 0.000 1.384 35 N HN 0.651 nan 8.380 nan 0.000 0.530 36 G N 0.113 108.946 108.800 0.055 0.000 2.173 36 G HA2 -0.072 3.889 3.960 0.002 0.000 0.174 36 G HA3 -0.072 3.889 3.960 0.002 0.000 0.174 36 G C -0.599 174.320 174.900 0.032 0.000 1.025 36 G CA 0.034 45.159 45.100 0.041 0.000 0.706 36 G HN 1.137 nan 8.290 nan 0.000 0.499 37 V N -3.242 116.694 119.914 0.036 0.000 3.120 37 V HA 0.869 4.991 4.120 0.002 0.000 0.303 37 V C 0.524 176.633 176.094 0.025 0.000 1.238 37 V CA -0.574 61.739 62.300 0.021 0.000 1.008 37 V CB 1.217 33.032 31.823 -0.014 0.000 1.064 37 V HN 0.919 nan 8.190 nan 0.000 0.434 38 S N 2.387 118.094 115.700 0.010 0.000 2.573 38 S HA 0.240 4.711 4.470 0.002 0.000 0.277 38 S C -1.934 172.648 174.600 -0.031 0.000 1.346 38 S CA -0.354 57.843 58.200 -0.005 0.000 1.034 38 S CB 0.468 63.657 63.200 -0.020 0.000 0.879 38 S HN 0.782 nan 8.310 nan 0.000 0.528 39 P HA -0.023 nan 4.420 nan 0.000 0.231 39 P C 0.751 177.981 177.300 -0.116 0.000 1.158 39 P CA 0.953 63.900 63.100 -0.254 0.000 0.763 39 P CB 0.151 31.445 31.700 -0.677 0.000 0.805 40 E N -0.757 119.393 120.200 -0.083 0.000 2.110 40 E HA -0.035 4.316 4.350 0.002 0.000 0.193 40 E C 1.682 178.236 176.600 -0.077 0.000 0.950 40 E CA 0.298 56.655 56.400 -0.072 0.000 0.840 40 E CB -0.292 29.360 29.700 -0.080 0.000 0.809 40 E HN 0.259 nan 8.360 nan 0.000 0.465 41 E N 0.675 120.824 120.200 -0.084 0.000 2.409 41 E HA -0.123 4.229 4.350 0.002 0.000 0.198 41 E C 1.552 178.095 176.600 -0.094 0.000 1.024 41 E CA 0.412 56.757 56.400 -0.092 0.000 0.861 41 E CB 0.134 29.780 29.700 -0.089 0.000 0.788 41 E HN 0.175 nan 8.360 nan 0.000 0.521 42 A N 1.179 123.954 122.820 -0.074 0.000 1.838 42 A HA 0.093 4.414 4.320 0.002 0.000 0.215 42 A C 2.339 179.738 177.584 -0.308 0.000 1.273 42 A CA 0.990 52.951 52.037 -0.125 0.000 0.602 42 A CB -0.947 18.113 19.000 0.098 0.000 0.934 42 A HN 0.287 nan 8.150 nan 0.000 0.461 43 A N -0.616 121.970 122.820 -0.391 0.000 2.266 43 A HA 0.019 4.341 4.320 0.002 0.000 0.219 43 A C 2.014 179.470 177.584 -0.214 0.000 1.178 43 A CA 2.131 53.920 52.037 -0.414 0.000 0.678 43 A CB -1.203 17.742 19.000 -0.091 0.000 0.789 43 A HN 0.790 nan 8.150 nan 0.000 0.486 44 G N -0.782 107.951 108.800 -0.112 0.000 2.610 44 G HA2 -0.044 3.917 3.960 0.002 0.000 0.215 44 G HA3 -0.044 3.917 3.960 0.002 0.000 0.215 44 G C 1.560 176.477 174.900 0.029 0.000 1.243 44 G CA 0.497 45.606 45.100 0.016 0.000 0.847 44 G HN 0.508 nan 8.290 nan 0.000 0.560 45 R N 0.198 120.794 120.500 0.160 0.000 2.162 45 R HA -0.154 4.187 4.340 0.002 0.000 0.245 45 R C 2.556 178.771 176.300 -0.141 0.000 1.129 45 R CA 1.821 58.012 56.100 0.152 0.000 0.940 45 R CB -0.786 29.481 30.300 -0.054 0.000 0.875 45 R HN 0.366 nan 8.270 nan 0.000 0.437 46 I N 0.398 120.782 120.570 -0.310 0.000 2.229 46 I HA -0.330 3.841 4.170 0.002 0.000 0.250 46 I C 2.306 178.223 176.117 -0.333 0.000 1.096 46 I CA 1.641 62.683 61.300 -0.430 0.000 1.358 46 I CB -0.376 37.209 38.000 -0.693 0.000 1.047 46 I HN 0.313 nan 8.210 nan 0.000 0.422 47 A N -0.547 122.068 122.820 -0.342 0.000 2.238 47 A HA -0.021 4.300 4.320 0.002 0.000 0.210 47 A C 2.258 179.343 177.584 -0.833 0.000 1.179 47 A CA 0.899 52.683 52.037 -0.421 0.000 0.827 47 A CB -0.260 18.501 19.000 -0.398 0.000 0.856 47 A HN 0.465 nan 8.150 nan 0.000 0.488 48 S N 0.179 115.379 115.700 -0.833 0.000 2.355 48 S HA -0.188 4.283 4.470 0.002 0.000 0.210 48 S C 1.764 176.153 174.600 -0.351 0.000 1.035 48 S CA 1.364 59.065 58.200 -0.831 0.000 1.011 48 S CB -0.548 62.639 63.200 -0.023 0.000 1.000 48 S HN 0.449 nan 8.310 nan 0.000 0.423 49 E N 1.707 121.821 120.200 -0.144 0.000 2.094 49 E HA -0.198 4.153 4.350 0.002 0.000 0.232 49 E C 2.177 178.715 176.600 -0.103 0.000 1.055 49 E CA 1.903 58.247 56.400 -0.093 0.000 0.923 49 E CB -1.302 28.341 29.700 -0.095 0.000 0.815 49 E HN 0.819 nan 8.360 nan 0.000 0.502 50 S N 0.043 115.677 115.700 -0.110 0.000 2.977 50 S HA -0.050 4.421 4.470 0.002 0.000 0.241 50 S C 0.912 175.524 174.600 0.020 0.000 0.994 50 S CA 0.867 59.047 58.200 -0.035 0.000 1.054 50 S CB -0.520 62.720 63.200 0.067 0.000 0.818 50 S HN 0.351 nan 8.310 nan 0.000 0.534 51 S N 0.943 116.622 115.700 -0.035 0.000 5.078 51 S HA 0.204 4.676 4.470 0.002 0.000 0.180 51 S C 0.748 175.355 174.600 0.010 0.000 1.330 51 S CA -0.186 58.012 58.200 -0.003 0.000 0.972 51 S CB -0.583 62.660 63.200 0.072 0.000 2.034 51 S HN 0.720 nan 8.310 nan 0.000 0.615 52 I N 1.627 122.257 120.570 0.100 0.000 3.684 52 I HA 0.499 4.671 4.170 0.002 0.000 0.308 52 I C 1.228 177.427 176.117 0.137 0.000 1.263 52 I CA 0.593 61.965 61.300 0.119 0.000 1.174 52 I CB -1.529 36.560 38.000 0.148 0.000 1.021 52 I HN 0.989 nan 8.210 nan 0.000 0.451 53 G N 2.456 111.308 108.800 0.087 0.000 2.660 53 G HA2 -0.427 3.535 3.960 0.002 0.000 0.321 53 G HA3 -0.427 3.535 3.960 0.002 0.000 0.321 53 G C 0.260 175.276 174.900 0.195 0.000 1.246 53 G CA 1.358 46.509 45.100 0.084 0.000 1.000 53 G HN 0.874 nan 8.290 nan 0.000 0.550 54 T N -4.223 110.430 114.554 0.165 0.000 2.841 54 T HA 0.480 4.831 4.350 0.002 0.000 0.276 54 T C -0.291 174.562 174.700 0.256 0.000 1.003 54 T CA 0.642 62.852 62.100 0.183 0.000 0.995 54 T CB 1.575 70.564 68.868 0.202 0.000 1.260 54 T HN 2.188 nan 8.240 nan 0.000 0.581 55 W N -0.107 121.206 121.300 0.021 0.000 3.079 55 W HA -0.114 4.548 4.660 0.003 0.000 0.453 55 W C -0.609 175.916 176.519 0.010 0.000 1.859 55 W CA 1.077 58.434 57.345 0.020 0.000 0.459 55 W CB -0.931 28.550 29.460 0.035 0.000 2.859 55 W HN 0.939 nan 8.180 nan 0.000 0.416 56 T N 2.868 117.536 114.554 0.190 0.000 3.839 56 T HA 0.337 4.688 4.350 0.002 0.000 0.230 56 T C 0.231 174.716 174.700 -0.358 0.000 1.095 56 T CA 0.161 62.226 62.100 -0.058 0.000 1.470 56 T CB 0.885 69.723 68.868 -0.051 0.000 0.881 56 T HN 0.612 nan 8.240 nan 0.000 0.637 57 T N -0.044 114.088 114.554 -0.703 0.000 3.236 57 T HA 0.318 4.670 4.350 0.002 0.000 0.146 57 T C 0.916 175.295 174.700 -0.535 0.000 0.898 57 T CA -0.259 61.263 62.100 -0.964 0.000 0.882 57 T CB -0.176 67.698 68.868 -1.656 0.000 1.609 57 T HN 0.093 nan 8.240 nan 0.000 0.316 58 L N -0.016 120.919 121.223 -0.481 0.000 2.022 58 L HA 0.379 4.720 4.340 0.002 0.000 0.204 58 L C 1.179 178.364 176.870 0.524 0.000 1.076 58 L CA 1.107 56.158 54.840 0.351 0.000 0.749 58 L CB -0.660 41.848 42.059 0.748 0.000 0.903 58 L HN 0.538 nan 8.230 nan 0.000 0.439 59 W N 1.387 122.945 121.300 0.430 0.000 2.509 59 W HA 0.146 4.808 4.660 0.003 0.000 0.351 59 W C 0.472 177.092 176.519 0.168 0.000 1.107 59 W CA -0.906 56.569 57.345 0.216 0.000 1.264 59 W CB 0.846 30.392 29.460 0.144 0.000 1.312 59 W HN 0.005 nan 8.180 nan 0.000 0.608 60 K N 4.966 125.390 120.400 0.039 0.000 2.075 60 K HA -0.174 4.148 4.320 0.002 0.000 0.246 60 K C -0.015 176.710 176.600 0.207 0.000 1.293 60 K CA 0.008 56.309 56.287 0.022 0.000 1.342 60 K CB -0.654 31.705 32.500 -0.236 0.000 0.820 60 K HN 0.494 nan 8.250 nan 0.000 0.436 61 L N 5.923 127.266 121.223 0.200 0.000 2.720 61 L HA -0.091 4.251 4.340 0.002 0.000 0.289 61 L C -2.142 174.803 176.870 0.124 0.000 1.232 61 L CA -0.357 54.590 54.840 0.177 0.000 0.915 61 L CB 0.126 42.265 42.059 0.133 0.000 1.184 61 L HN 0.517 nan 8.230 nan 0.000 0.491 62 P HA 0.026 nan 4.420 nan 0.000 0.268 62 P C 0.168 177.507 177.300 0.065 0.000 1.204 62 P CA -0.148 63.006 63.100 0.090 0.000 0.768 62 P CB 0.878 32.626 31.700 0.079 0.000 0.842 63 E N 3.205 123.436 120.200 0.051 0.000 2.028 63 E HA -0.256 4.096 4.350 0.002 0.000 0.217 63 E C 1.450 178.071 176.600 0.036 0.000 1.039 63 E CA 1.898 58.321 56.400 0.038 0.000 0.882 63 E CB -0.670 29.048 29.700 0.030 0.000 0.794 63 E HN 0.393 nan 8.360 nan 0.000 0.488 64 M N -0.272 119.348 119.600 0.033 0.000 2.800 64 M HA 0.029 4.510 4.480 0.002 0.000 0.235 64 M C 1.207 177.526 176.300 0.031 0.000 1.057 64 M CA 0.977 56.294 55.300 0.029 0.000 1.066 64 M CB -0.056 32.559 32.600 0.025 0.000 1.558 64 M HN 0.272 nan 8.290 nan 0.000 0.551 65 A N 0.428 123.272 122.820 0.039 0.000 1.840 65 A HA -0.131 4.190 4.320 0.002 0.000 0.214 65 A C 2.112 179.724 177.584 0.046 0.000 1.198 65 A CA 1.628 53.693 52.037 0.048 0.000 0.608 65 A CB -0.688 18.350 19.000 0.065 0.000 0.839 65 A HN 0.540 nan 8.150 nan 0.000 0.443 66 K N 0.218 120.642 120.400 0.040 0.000 2.015 66 K HA -0.272 4.050 4.320 0.002 0.000 0.220 66 K C 2.159 178.780 176.600 0.036 0.000 1.055 66 K CA 2.290 58.594 56.287 0.029 0.000 0.951 66 K CB -0.469 32.046 32.500 0.024 0.000 0.725 66 K HN 0.420 nan 8.250 nan 0.000 0.449 67 R N 0.364 120.886 120.500 0.037 0.000 2.189 67 R HA 0.011 4.353 4.340 0.002 0.000 0.223 67 R C 1.567 177.894 176.300 0.045 0.000 1.092 67 R CA 1.037 57.163 56.100 0.043 0.000 0.989 67 R CB -0.137 30.187 30.300 0.040 0.000 0.876 67 R HN 0.122 nan 8.270 nan 0.000 0.457 68 S N 0.608 116.329 115.700 0.035 0.000 2.803 68 S HA 0.076 4.547 4.470 0.002 0.000 0.226 68 S C 0.326 174.965 174.600 0.065 0.000 0.962 68 S CA 0.187 58.398 58.200 0.017 0.000 0.968 68 S CB -0.159 63.038 63.200 -0.004 0.000 0.786 68 S HN 0.243 nan 8.310 nan 0.000 0.527 69 M N 0.961 120.619 119.600 0.097 0.000 2.283 69 M HA 0.481 4.962 4.480 0.002 0.000 0.314 69 M C 0.210 176.597 176.300 0.145 0.000 1.153 69 M CA -0.346 55.067 55.300 0.188 0.000 1.084 69 M CB 1.018 33.731 32.600 0.188 0.000 1.468 69 M HN 0.173 nan 8.290 nan 0.000 0.474 70 A N 1.692 124.601 122.820 0.150 0.000 2.322 70 A HA 0.817 5.139 4.320 0.002 0.000 0.327 70 A C -0.981 176.543 177.584 -0.100 0.000 1.134 70 A CA -0.680 51.284 52.037 -0.123 0.000 0.831 70 A CB 1.164 20.037 19.000 -0.213 0.000 1.288 70 A HN 0.783 nan 8.150 nan 0.000 0.472 71 K N 0.686 120.915 120.400 -0.285 0.000 2.588 71 K HA 0.384 4.705 4.320 0.002 0.000 0.250 71 K C -1.505 175.009 176.600 -0.144 0.000 0.972 71 K CA -0.577 55.586 56.287 -0.206 0.000 0.821 71 K CB 2.114 34.369 32.500 -0.409 0.000 1.249 71 K HN 0.502 nan 8.250 nan 0.000 0.442 72 V N 3.788 123.679 119.914 -0.038 0.000 2.409 72 V HA 0.081 4.203 4.120 0.002 0.000 0.270 72 V C 0.270 176.433 176.094 0.115 0.000 1.019 72 V CA 0.107 62.430 62.300 0.038 0.000 1.066 72 V CB -1.176 30.648 31.823 0.001 0.000 1.021 72 V HN 0.695 nan 8.190 nan 0.000 0.476 73 F N 3.772 123.705 119.950 -0.027 0.000 2.908 73 F HA 0.739 5.268 4.527 0.002 0.000 0.328 73 F C -0.261 175.645 175.800 0.176 0.000 1.211 73 F CA -0.951 57.075 58.000 0.044 0.000 1.291 73 F CB -0.104 38.926 39.000 0.050 0.000 0.962 73 F HN 0.456 nan 8.300 nan 0.000 0.505 74 Y N 1.309 121.353 120.300 -0.427 0.000 2.601 74 Y HA 0.426 4.978 4.550 0.003 0.000 0.354 74 Y C -2.633 173.137 175.900 -0.216 0.000 1.270 74 Y CA -1.654 56.212 58.100 -0.390 0.000 1.386 74 Y CB 0.967 39.042 38.460 -0.643 0.000 1.362 74 Y HN 0.132 nan 8.280 nan 0.000 0.504 75 L N 6.821 128.229 121.223 0.308 0.000 2.673 75 L HA 0.324 4.665 4.340 0.002 0.000 0.255 75 L C -1.095 175.845 176.870 0.117 0.000 1.015 75 L CA -0.236 54.787 54.840 0.305 0.000 0.930 75 L CB 0.993 43.108 42.059 0.094 0.000 1.185 75 L HN 0.876 nan 8.230 nan 0.000 0.457 76 E N 3.294 123.636 120.200 0.236 0.000 2.446 76 E HA 0.415 4.767 4.350 0.002 0.000 0.251 76 E C -1.138 175.593 176.600 0.219 0.000 1.087 76 E CA -0.789 55.624 56.400 0.022 0.000 0.937 76 E CB 1.947 31.599 29.700 -0.080 0.000 1.254 76 E HN 0.497 nan 8.360 nan 0.000 0.479 77 K N 0.520 120.999 120.400 0.132 0.000 2.110 77 K HA 0.155 4.476 4.320 0.002 0.000 0.263 77 K C -1.183 175.369 176.600 -0.079 0.000 0.975 77 K CA -0.517 55.754 56.287 -0.026 0.000 0.895 77 K CB 0.920 33.327 32.500 -0.155 0.000 1.060 77 K HN 0.617 nan 8.250 nan 0.000 0.448 78 H N 1.940 120.793 119.070 -0.361 0.000 3.026 78 H HA 0.249 4.806 4.556 0.002 0.000 0.352 78 H C -0.113 175.034 175.328 -0.302 0.000 1.090 78 H CA 0.603 56.503 56.048 -0.246 0.000 1.268 78 H CB 1.224 30.873 29.762 -0.190 0.000 1.816 78 H HN 0.941 nan 8.280 nan 0.000 0.518 79 G N 4.282 112.739 108.800 -0.573 0.000 2.668 79 G HA2 -0.315 3.647 3.960 0.002 0.000 0.266 79 G HA3 -0.315 3.647 3.960 0.002 0.000 0.266 79 G C 0.720 175.478 174.900 -0.237 0.000 1.328 79 G CA 0.467 45.362 45.100 -0.341 0.000 0.911 79 G HN 0.839 nan 8.290 nan 0.000 0.567 80 E N 1.431 121.576 120.200 -0.091 0.000 2.381 80 E HA 0.297 4.649 4.350 0.002 0.000 0.198 80 E C 0.979 177.481 176.600 -0.162 0.000 1.204 80 E CA 1.275 57.615 56.400 -0.099 0.000 0.998 80 E CB -0.573 29.119 29.700 -0.013 0.000 1.080 80 E HN 1.560 nan 8.360 nan 0.000 0.481 81 G N -0.596 107.973 108.800 -0.386 0.000 2.827 81 G HA2 0.515 4.476 3.960 0.002 0.000 0.202 81 G HA3 0.515 4.476 3.960 0.002 0.000 0.202 81 G C -1.482 172.689 174.900 -1.215 0.000 1.185 81 G CA -0.707 44.049 45.100 -0.574 0.000 0.920 81 G HN 0.143 nan 8.290 nan 0.000 0.550 82 Y N -1.458 118.393 120.300 -0.748 0.000 2.655 82 Y HA 0.655 5.206 4.550 0.002 0.000 0.336 82 Y C -0.821 174.718 175.900 -0.601 0.000 1.154 82 Y CA -1.178 56.553 58.100 -0.616 0.000 1.055 82 Y CB 2.105 40.151 38.460 -0.691 0.000 1.295 82 Y HN 0.207 nan 8.280 nan 0.000 0.465 83 I N 2.109 122.665 120.570 -0.024 0.000 2.328 83 I HA 0.533 4.704 4.170 0.002 0.000 0.287 83 I C 0.301 176.531 176.117 0.187 0.000 1.012 83 I CA -0.732 60.565 61.300 -0.005 0.000 1.195 83 I CB 0.318 38.244 38.000 -0.124 0.000 1.350 83 I HN 0.774 nan 8.210 nan 0.000 0.464 84 A N 7.623 130.652 122.820 0.348 0.000 2.274 84 A HA 0.780 5.102 4.320 0.002 0.000 0.297 84 A C -0.062 177.509 177.584 -0.022 0.000 1.191 84 A CA -0.525 51.654 52.037 0.236 0.000 0.889 84 A CB 0.999 20.144 19.000 0.241 0.000 1.294 84 A HN 0.604 nan 8.150 nan 0.000 0.506 85 K N 0.340 120.683 120.400 -0.095 0.000 2.581 85 K HA 0.488 4.810 4.320 0.002 0.000 0.249 85 K C -1.744 174.937 176.600 0.135 0.000 0.966 85 K CA -0.065 56.151 56.287 -0.117 0.000 0.811 85 K CB 1.790 34.045 32.500 -0.409 0.000 1.223 85 K HN 0.585 nan 8.250 nan 0.000 0.438 86 I N 2.254 122.932 120.570 0.181 0.000 2.441 86 I HA 0.433 4.604 4.170 0.002 0.000 0.295 86 I C -0.057 175.987 176.117 -0.122 0.000 0.994 86 I CA -0.870 60.448 61.300 0.029 0.000 1.144 86 I CB 1.902 39.848 38.000 -0.090 0.000 1.314 86 I HN 0.613 nan 8.210 nan 0.000 0.445 87 A N 6.265 128.912 122.820 -0.288 0.000 2.312 87 A HA 0.743 5.065 4.320 0.002 0.000 0.326 87 A C -1.524 175.717 177.584 -0.572 0.000 1.172 87 A CA -0.262 51.496 52.037 -0.465 0.000 0.821 87 A CB 0.586 19.138 19.000 -0.747 0.000 1.166 87 A HN 0.593 nan 8.150 nan 0.000 0.493 88 Y N 2.033 122.327 120.300 -0.009 0.000 2.338 88 Y HA 0.443 4.994 4.550 0.003 0.000 0.333 88 Y C -2.246 173.736 175.900 0.136 0.000 0.968 88 Y CA -2.588 55.570 58.100 0.097 0.000 1.123 88 Y CB 2.055 40.678 38.460 0.273 0.000 1.165 88 Y HN 0.501 nan 8.280 nan 0.000 0.452 89 P HA 0.096 nan 4.420 nan 0.000 0.276 89 P C 0.181 177.600 177.300 0.200 0.000 1.243 89 P CA -0.105 63.098 63.100 0.172 0.000 0.768 89 P CB 1.135 32.901 31.700 0.110 0.000 0.856 90 L N 3.283 124.646 121.223 0.233 0.000 3.694 90 L HA -0.047 4.294 4.340 0.002 0.000 0.273 90 L C 1.000 177.933 176.870 0.106 0.000 1.258 90 L CA 0.811 55.822 54.840 0.285 0.000 0.993 90 L CB -1.670 40.559 42.059 0.282 0.000 1.392 90 L HN 0.485 nan 8.230 nan 0.000 0.406 91 T N -4.804 109.732 114.554 -0.031 0.000 3.085 91 T HA 0.230 4.582 4.350 0.002 0.000 0.264 91 T C 1.294 175.894 174.700 -0.166 0.000 1.019 91 T CA -0.218 61.853 62.100 -0.049 0.000 0.910 91 T CB 0.400 69.255 68.868 -0.022 0.000 1.059 91 T HN 0.267 nan 8.240 nan 0.000 0.542 92 L N -0.620 120.370 121.223 -0.389 0.000 2.731 92 L HA 0.504 4.846 4.340 0.002 0.000 0.240 92 L C -0.319 175.957 176.870 -0.990 0.000 1.120 92 L CA -0.019 54.404 54.840 -0.695 0.000 0.913 92 L CB 0.393 41.876 42.059 -0.961 0.000 1.213 92 L HN 0.192 nan 8.230 nan 0.000 0.515 93 F N -0.294 119.668 119.950 0.020 0.000 2.671 93 F HA 0.368 4.897 4.527 0.002 0.000 0.373 93 F C 0.353 176.200 175.800 0.079 0.000 1.122 93 F CA -1.206 56.816 58.000 0.037 0.000 1.082 93 F CB 0.859 39.892 39.000 0.055 0.000 1.399 93 F HN -0.203 nan 8.300 nan 0.000 0.509 94 E N 0.218 120.603 120.200 0.308 0.000 2.216 94 E HA 0.348 4.699 4.350 0.002 0.000 0.260 94 E C -1.261 175.464 176.600 0.208 0.000 0.880 94 E CA -0.721 55.778 56.400 0.165 0.000 0.765 94 E CB 1.100 30.864 29.700 0.106 0.000 1.174 94 E HN 0.621 nan 8.360 nan 0.000 0.417 95 E N 2.833 123.097 120.200 0.107 0.000 2.435 95 E HA 0.273 4.625 4.350 0.002 0.000 0.254 95 E C 0.948 177.438 176.600 -0.185 0.000 1.289 95 E CA -0.247 56.067 56.400 -0.144 0.000 0.983 95 E CB 0.299 29.629 29.700 -0.617 0.000 1.010 95 E HN 0.858 nan 8.360 nan 0.000 0.509 96 G N 0.724 109.329 108.800 -0.326 0.000 3.718 96 G HA2 -0.426 3.535 3.960 0.002 0.000 0.224 96 G HA3 -0.426 3.535 3.960 0.002 0.000 0.224 96 G C 0.740 175.499 174.900 -0.236 0.000 1.328 96 G CA 0.735 45.626 45.100 -0.349 0.000 0.974 96 G HN 0.649 nan 8.290 nan 0.000 0.579 97 S N 1.393 117.086 115.700 -0.013 0.000 2.686 97 S HA 0.442 4.913 4.470 0.002 0.000 0.324 97 S C 1.625 176.300 174.600 0.124 0.000 1.172 97 S CA 0.571 58.793 58.200 0.036 0.000 1.127 97 S CB 0.095 63.324 63.200 0.049 0.000 1.338 97 S HN 1.008 nan 8.310 nan 0.000 0.547 98 L N 6.119 127.415 121.223 0.122 0.000 2.093 98 L HA -0.001 4.340 4.340 0.002 0.000 0.208 98 L C 1.798 178.457 176.870 -0.351 0.000 1.085 98 L CA 1.378 56.189 54.840 -0.049 0.000 0.755 98 L CB -0.326 41.661 42.059 -0.119 0.000 0.904 98 L HN 0.527 nan 8.230 nan 0.000 0.435 99 V N 0.530 120.289 119.914 -0.258 0.000 2.453 99 V HA -0.323 3.799 4.120 0.002 0.000 0.252 99 V C 2.683 178.738 176.094 -0.065 0.000 1.068 99 V CA 2.207 64.387 62.300 -0.201 0.000 1.070 99 V CB -0.878 30.934 31.823 -0.018 0.000 0.664 99 V HN 0.658 nan 8.190 nan 0.000 0.461 100 Q N -0.329 119.476 119.800 0.008 0.000 1.994 100 Q HA -0.170 4.172 4.340 0.002 0.000 0.198 100 Q C 2.307 178.372 176.000 0.108 0.000 0.976 100 Q CA 1.752 57.600 55.803 0.075 0.000 0.828 100 Q CB -0.448 28.348 28.738 0.096 0.000 0.894 100 Q HN 0.494 nan 8.270 nan 0.000 0.432 101 L N 1.046 122.343 121.223 0.123 0.000 2.056 101 L HA -0.288 4.053 4.340 0.002 0.000 0.237 101 L C 2.296 179.243 176.870 0.128 0.000 1.106 101 L CA 2.392 57.252 54.840 0.034 0.000 0.829 101 L CB -1.448 40.483 42.059 -0.213 0.000 0.924 101 L HN 0.245 nan 8.230 nan 0.000 0.447 102 F N -0.206 119.589 119.950 -0.258 0.000 2.091 102 F HA -0.245 4.284 4.527 0.003 0.000 0.299 102 F C 2.924 178.673 175.800 -0.084 0.000 1.103 102 F CA 1.558 59.442 58.000 -0.193 0.000 1.228 102 F CB -1.605 37.291 39.000 -0.174 0.000 0.984 102 F HN 0.157 nan 8.300 nan 0.000 0.477 103 S N -0.654 115.144 115.700 0.164 0.000 2.413 103 S HA -0.262 4.210 4.470 0.002 0.000 0.237 103 S C 2.139 176.757 174.600 0.030 0.000 1.044 103 S CA 1.168 59.425 58.200 0.096 0.000 1.024 103 S CB -0.470 62.776 63.200 0.076 0.000 0.829 103 S HN 0.406 nan 8.310 nan 0.000 0.475 104 A N 0.267 123.094 122.820 0.011 0.000 1.859 104 A HA 0.152 4.473 4.320 0.002 0.000 0.212 104 A C 1.759 179.270 177.584 -0.120 0.000 1.238 104 A CA 0.939 52.945 52.037 -0.052 0.000 0.613 104 A CB -0.596 18.371 19.000 -0.054 0.000 0.904 104 A HN 0.745 nan 8.150 nan 0.000 0.457 105 V N -3.527 116.279 119.914 -0.180 0.000 3.292 105 V HA 0.662 4.784 4.120 0.002 0.000 0.372 105 V C 0.454 176.336 176.094 -0.353 0.000 1.249 105 V CA 0.742 62.896 62.300 -0.243 0.000 1.378 105 V CB -0.670 30.948 31.823 -0.341 0.000 1.245 105 V HN 0.998 nan 8.190 nan 0.000 0.467 106 A N -1.038 121.594 122.820 -0.313 0.000 2.405 106 A HA 0.632 4.953 4.320 0.002 0.000 0.224 106 A C 1.095 178.632 177.584 -0.078 0.000 1.245 106 A CA 0.326 52.157 52.037 -0.342 0.000 1.203 106 A CB -0.553 18.271 19.000 -0.293 0.000 1.108 106 A HN 0.789 nan 8.150 nan 0.000 0.451 107 G N 0.955 109.699 108.800 -0.093 0.000 2.832 107 G HA2 0.154 4.115 3.960 0.002 0.000 0.187 107 G HA3 0.154 4.115 3.960 0.002 0.000 0.187 107 G C 0.756 175.708 174.900 0.085 0.000 1.817 107 G CA 0.837 45.958 45.100 0.035 0.000 0.896 107 G HN 0.292 nan 8.290 nan 0.000 0.453 108 N N -0.300 118.417 118.700 0.028 0.000 2.446 108 N HA 0.031 4.773 4.740 0.002 0.000 0.179 108 N C 2.011 177.530 175.510 0.015 0.000 1.054 108 N CA 0.041 53.121 53.050 0.049 0.000 0.905 108 N CB 0.133 38.636 38.487 0.025 0.000 0.973 108 N HN 0.115 nan 8.380 nan 0.000 0.448 109 V N 0.546 120.405 119.914 -0.091 0.000 2.250 109 V HA -0.243 3.879 4.120 0.002 0.000 0.250 109 V C 1.267 177.273 176.094 -0.146 0.000 1.060 109 V CA 1.608 63.773 62.300 -0.226 0.000 1.030 109 V CB -0.534 31.063 31.823 -0.376 0.000 0.643 109 V HN 0.310 nan 8.190 nan 0.000 0.445 110 F N -0.039 119.874 119.950 -0.060 0.000 2.724 110 F HA 0.024 4.552 4.527 0.002 0.000 0.297 110 F C 1.816 177.664 175.800 0.080 0.000 1.200 110 F CA 0.327 58.321 58.000 -0.011 0.000 1.468 110 F CB -0.310 38.729 39.000 0.066 0.000 1.116 110 F HN 0.312 nan 8.300 nan 0.000 0.599 111 G N -0.689 108.239 108.800 0.213 0.000 2.834 111 G HA2 0.121 4.082 3.960 0.002 0.000 0.198 111 G HA3 0.121 4.082 3.960 0.002 0.000 0.198 111 G C 0.602 175.564 174.900 0.104 0.000 1.070 111 G CA -0.405 44.789 45.100 0.157 0.000 0.771 111 G HN 0.034 nan 8.290 nan 0.000 0.601 112 M N 1.759 121.395 119.600 0.060 0.000 2.213 112 M HA -0.133 4.348 4.480 0.002 0.000 0.467 112 M C 1.282 177.602 176.300 0.034 0.000 1.377 112 M CA -0.032 55.281 55.300 0.021 0.000 0.727 112 M CB 0.504 33.084 32.600 -0.033 0.000 1.983 112 M HN 0.123 nan 8.290 nan 0.000 0.539 113 K N 3.549 123.965 120.400 0.027 0.000 1.991 113 K HA -0.116 4.206 4.320 0.002 0.000 0.212 113 K C 1.862 178.476 176.600 0.024 0.000 1.049 113 K CA 1.888 58.194 56.287 0.031 0.000 0.932 113 K CB -1.011 31.502 32.500 0.022 0.000 0.717 113 K HN 0.810 nan 8.250 nan 0.000 0.441 114 A N 1.007 123.821 122.820 -0.009 0.000 2.330 114 A HA -0.000 4.321 4.320 0.002 0.000 0.207 114 A C 0.110 177.711 177.584 0.029 0.000 1.261 114 A CA 0.875 52.906 52.037 -0.010 0.000 0.753 114 A CB -1.195 17.763 19.000 -0.070 0.000 0.754 114 A HN 0.234 nan 8.150 nan 0.000 0.512 115 L N -2.865 118.393 121.223 0.058 0.000 2.354 115 L HA 0.431 4.773 4.340 0.002 0.000 0.264 115 L C 1.020 177.977 176.870 0.146 0.000 1.008 115 L CA -0.705 54.207 54.840 0.120 0.000 0.819 115 L CB 1.785 43.904 42.059 0.101 0.000 1.339 115 L HN -0.012 nan 8.230 nan 0.000 0.420 116 K N 0.151 120.662 120.400 0.184 0.000 2.190 116 K HA 0.224 4.546 4.320 0.002 0.000 0.202 116 K C 0.102 176.841 176.600 0.232 0.000 1.045 116 K CA 0.479 56.870 56.287 0.173 0.000 0.976 116 K CB 0.403 33.001 32.500 0.163 0.000 0.849 116 K HN 0.517 nan 8.250 nan 0.000 0.468 117 N N -0.250 118.607 118.700 0.262 0.000 2.455 117 N HA 0.386 5.128 4.740 0.002 0.000 0.278 117 N C -2.113 173.507 175.510 0.183 0.000 1.291 117 N CA -0.608 52.615 53.050 0.289 0.000 0.780 117 N CB 1.989 40.611 38.487 0.224 0.000 1.520 117 N HN -0.108 nan 8.380 nan 0.000 0.486 118 L N 0.616 121.786 121.223 -0.089 0.000 2.614 118 L HA 0.502 4.844 4.340 0.002 0.000 0.264 118 L C -1.387 175.538 176.870 0.091 0.000 0.940 118 L CA -0.278 54.590 54.840 0.048 0.000 0.903 118 L CB 1.231 43.269 42.059 -0.036 0.000 1.306 118 L HN 0.569 nan 8.230 nan 0.000 0.410 119 R N 4.351 125.017 120.500 0.276 0.000 2.670 119 R HA 0.561 4.902 4.340 0.002 0.000 0.289 119 R C -1.612 174.888 176.300 0.332 0.000 0.965 119 R CA -0.936 55.327 56.100 0.272 0.000 0.899 119 R CB 1.947 32.338 30.300 0.151 0.000 1.173 119 R HN 0.654 nan 8.270 nan 0.000 0.456 120 L N 5.724 127.110 121.223 0.272 0.000 2.278 120 L HA 0.106 4.448 4.340 0.002 0.000 0.287 120 L C 0.266 177.138 176.870 0.004 0.000 1.072 120 L CA 0.056 54.947 54.840 0.084 0.000 0.819 120 L CB 1.184 43.224 42.059 -0.032 0.000 1.176 120 L HN 0.740 nan 8.230 nan 0.000 0.435 121 L N 3.903 125.084 121.223 -0.071 0.000 2.145 121 L HA 0.258 4.599 4.340 0.002 0.000 0.201 121 L C 0.747 177.525 176.870 -0.153 0.000 1.075 121 L CA 1.075 55.872 54.840 -0.071 0.000 0.773 121 L CB -0.402 41.630 42.059 -0.046 0.000 0.936 121 L HN 0.661 nan 8.230 nan 0.000 0.451 122 D N -2.324 117.938 120.400 -0.230 0.000 2.692 122 D HA 0.373 5.015 4.640 0.002 0.000 0.290 122 D C -1.657 174.404 176.300 -0.399 0.000 1.281 122 D CA -0.502 53.261 54.000 -0.395 0.000 0.804 122 D CB 1.633 42.214 40.800 -0.365 0.000 1.331 122 D HN -0.185 nan 8.370 nan 0.000 0.432 123 F N -0.810 118.817 119.950 -0.538 0.000 2.650 123 F HA 0.633 5.162 4.527 0.002 0.000 0.310 123 F C -1.664 173.621 175.800 -0.859 0.000 1.112 123 F CA -0.881 56.818 58.000 -0.503 0.000 0.986 123 F CB 1.054 39.837 39.000 -0.361 0.000 1.285 123 F HN 0.139 nan 8.300 nan 0.000 0.440 124 H N 1.135 120.220 119.070 0.026 0.000 2.547 124 H HA 0.598 5.156 4.556 0.003 0.000 0.342 124 H C -2.950 172.476 175.328 0.164 0.000 1.048 124 H CA -2.626 53.486 56.048 0.108 0.000 1.204 124 H CB 1.714 31.518 29.762 0.070 0.000 1.493 124 H HN 0.390 nan 8.280 nan 0.000 0.511 125 P HA 0.160 nan 4.420 nan 0.000 0.292 125 P C -2.592 174.857 177.300 0.248 0.000 1.326 125 P CA -1.855 61.372 63.100 0.212 0.000 0.787 125 P CB 0.649 32.493 31.700 0.239 0.000 0.903 126 P HA -0.125 nan 4.420 nan 0.000 0.261 126 P C 0.797 178.270 177.300 0.288 0.000 1.183 126 P CA 0.176 63.411 63.100 0.225 0.000 0.761 126 P CB 0.476 32.292 31.700 0.193 0.000 0.785 127 Y N 3.677 124.060 120.300 0.137 0.000 1.782 127 Y HA -0.388 4.163 4.550 0.003 0.000 0.187 127 Y C 2.309 178.302 175.900 0.154 0.000 1.078 127 Y CA 2.764 60.941 58.100 0.129 0.000 0.905 127 Y CB -1.243 37.286 38.460 0.115 0.000 0.749 127 Y HN 0.372 nan 8.280 nan 0.000 0.580 128 E N -1.580 118.854 120.200 0.391 0.000 2.477 128 E HA -0.308 4.044 4.350 0.002 0.000 0.223 128 E C 1.635 178.302 176.600 0.112 0.000 1.118 128 E CA 1.840 58.391 56.400 0.252 0.000 0.875 128 E CB -0.678 29.158 29.700 0.227 0.000 0.758 128 E HN 0.772 nan 8.360 nan 0.000 0.491 129 Y N -1.522 118.766 120.300 -0.020 0.000 2.539 129 Y HA 0.167 4.718 4.550 0.002 0.000 0.284 129 Y C 1.860 177.695 175.900 -0.108 0.000 1.134 129 Y CA 0.459 58.478 58.100 -0.134 0.000 1.251 129 Y CB -0.092 38.292 38.460 -0.126 0.000 1.260 129 Y HN 0.086 nan 8.280 nan 0.000 0.528 130 L N 1.760 122.962 121.223 -0.034 0.000 2.313 130 L HA 0.014 4.355 4.340 0.002 0.000 0.214 130 L C 2.165 179.030 176.870 -0.008 0.000 1.119 130 L CA 1.109 55.853 54.840 -0.160 0.000 0.809 130 L CB -0.453 41.443 42.059 -0.272 0.000 0.933 130 L HN 0.252 nan 8.230 nan 0.000 0.449 131 R N -2.013 118.453 120.500 -0.055 0.000 2.346 131 R HA -0.072 4.270 4.340 0.002 0.000 0.199 131 R C -0.011 176.296 176.300 0.011 0.000 1.015 131 R CA 0.658 56.664 56.100 -0.157 0.000 1.058 131 R CB -0.749 29.262 30.300 -0.483 0.000 0.921 131 R HN 0.424 nan 8.270 nan 0.000 0.475 132 H N -0.217 118.823 119.070 -0.050 0.000 2.472 132 H HA 0.346 4.903 4.556 0.002 0.000 0.287 132 H C -1.439 173.848 175.328 -0.067 0.000 1.112 132 H CA -0.375 55.614 56.048 -0.098 0.000 1.021 132 H CB -0.000 29.659 29.762 -0.172 0.000 1.635 132 H HN 0.037 nan 8.280 nan 0.000 0.559 133 F N -0.544 119.390 119.950 -0.028 0.000 2.591 133 F HA 0.293 4.822 4.527 0.003 0.000 0.309 133 F C 0.800 176.614 175.800 0.023 0.000 1.098 133 F CA -1.296 56.673 58.000 -0.050 0.000 0.937 133 F CB 1.931 40.863 39.000 -0.113 0.000 1.250 133 F HN -0.150 nan 8.300 nan 0.000 0.447 134 K N 1.460 121.904 120.400 0.074 0.000 2.426 134 K HA 0.388 4.710 4.320 0.002 0.000 0.193 134 K C 0.943 177.609 176.600 0.111 0.000 1.028 134 K CA 0.443 56.774 56.287 0.073 0.000 1.047 134 K CB -0.018 32.479 32.500 -0.006 0.000 0.821 134 K HN 0.880 nan 8.250 nan 0.000 0.513 135 G N 1.761 110.622 108.800 0.102 0.000 2.750 135 G HA2 -0.218 3.744 3.960 0.002 0.000 0.228 135 G HA3 -0.218 3.744 3.960 0.002 0.000 0.228 135 G C -2.775 172.190 174.900 0.107 0.000 1.367 135 G CA -1.058 44.078 45.100 0.060 0.000 0.871 135 G HN -0.072 nan 8.290 nan 0.000 0.560 136 P HA 0.238 nan 4.420 nan 0.000 0.274 136 P C 0.503 177.899 177.300 0.160 0.000 1.256 136 P CA -0.027 63.169 63.100 0.161 0.000 0.795 136 P CB 0.753 32.553 31.700 0.166 0.000 1.038 137 Q N -0.075 119.874 119.800 0.248 0.000 2.378 137 Q HA 0.115 4.457 4.340 0.002 0.000 0.216 137 Q C 0.475 176.603 176.000 0.214 0.000 0.892 137 Q CA 0.852 56.788 55.803 0.221 0.000 0.931 137 Q CB 0.083 28.972 28.738 0.251 0.000 1.086 137 Q HN 0.441 nan 8.270 nan 0.000 0.528 138 F N -0.745 119.247 119.950 0.069 0.000 2.640 138 F HA 0.331 4.859 4.527 0.002 0.000 0.285 138 F C 1.359 177.171 175.800 0.020 0.000 1.031 138 F CA 0.232 58.270 58.000 0.062 0.000 1.240 138 F CB 0.720 39.775 39.000 0.091 0.000 1.011 138 F HN 0.215 nan 8.300 nan 0.000 0.656 139 G N 1.012 109.976 108.800 0.274 0.000 2.641 139 G HA2 -0.287 3.675 3.960 0.002 0.000 0.254 139 G HA3 -0.287 3.675 3.960 0.002 0.000 0.254 139 G C 0.580 175.518 174.900 0.062 0.000 1.315 139 G CA -0.177 44.998 45.100 0.126 0.000 0.907 139 G HN 0.057 nan 8.290 nan 0.000 0.572 140 V N 0.797 120.642 119.914 -0.115 0.000 2.970 140 V HA -0.093 4.028 4.120 0.002 0.000 0.260 140 V C 2.739 178.704 176.094 -0.214 0.000 1.100 140 V CA 2.563 64.610 62.300 -0.421 0.000 1.122 140 V CB -0.126 31.269 31.823 -0.714 0.000 0.721 140 V HN 0.587 nan 8.190 nan 0.000 0.483 141 Q N 0.813 120.563 119.800 -0.084 0.000 1.984 141 Q HA 0.015 4.357 4.340 0.002 0.000 0.196 141 Q C 2.450 178.454 176.000 0.006 0.000 0.975 141 Q CA 1.885 57.666 55.803 -0.038 0.000 0.827 141 Q CB -1.187 27.535 28.738 -0.027 0.000 0.894 141 Q HN 0.541 nan 8.270 nan 0.000 0.438 142 G N 1.398 110.240 108.800 0.070 0.000 2.545 142 G HA2 -0.254 3.707 3.960 0.002 0.000 0.217 142 G HA3 -0.254 3.707 3.960 0.002 0.000 0.217 142 G C 1.619 176.510 174.900 -0.016 0.000 1.218 142 G CA 1.012 46.221 45.100 0.182 0.000 0.787 142 G HN 0.318 nan 8.290 nan 0.000 0.571 143 I N 0.299 120.715 120.570 -0.256 0.000 2.143 143 I HA -0.292 3.879 4.170 0.002 0.000 0.245 143 I C 2.906 178.628 176.117 -0.657 0.000 1.068 143 I CA 1.734 62.471 61.300 -0.939 0.000 1.326 143 I CB -0.237 37.624 38.000 -0.231 0.000 1.028 143 I HN 0.145 nan 8.210 nan 0.000 0.412 144 R N 0.403 120.811 120.500 -0.154 0.000 2.148 144 R HA -0.193 4.149 4.340 0.002 0.000 0.227 144 R C 2.138 178.434 176.300 -0.006 0.000 1.103 144 R CA 1.368 57.461 56.100 -0.012 0.000 0.983 144 R CB -0.026 30.304 30.300 0.051 0.000 0.874 144 R HN 0.437 nan 8.270 nan 0.000 0.451 145 E N -0.325 119.868 120.200 -0.011 0.000 2.021 145 E HA -0.164 4.187 4.350 0.002 0.000 0.189 145 E C 1.782 178.481 176.600 0.165 0.000 0.980 145 E CA 1.340 57.790 56.400 0.084 0.000 0.803 145 E CB -0.193 29.580 29.700 0.123 0.000 0.766 145 E HN 0.420 nan 8.360 nan 0.000 0.449 146 F N -0.041 119.988 119.950 0.132 0.000 2.134 146 F HA -0.128 4.401 4.527 0.003 0.000 0.299 146 F C 2.183 178.044 175.800 0.102 0.000 1.097 146 F CA 0.691 58.761 58.000 0.116 0.000 1.264 146 F CB -0.431 38.647 39.000 0.130 0.000 1.001 146 F HN -0.060 nan 8.300 nan 0.000 0.479 147 M N 0.608 120.442 119.600 0.391 0.000 2.254 147 M HA 0.192 4.674 4.480 0.002 0.000 0.265 147 M C 1.840 178.249 176.300 0.182 0.000 1.066 147 M CA 1.500 56.986 55.300 0.310 0.000 1.123 147 M CB -0.991 31.750 32.600 0.236 0.000 1.388 147 M HN 0.623 nan 8.290 nan 0.000 0.425 148 G N 0.459 109.341 108.800 0.136 0.000 2.159 148 G HA2 -0.126 3.835 3.960 0.002 0.000 0.170 148 G HA3 -0.126 3.835 3.960 0.002 0.000 0.170 148 G C -0.167 174.784 174.900 0.086 0.000 1.007 148 G CA -0.359 44.806 45.100 0.108 0.000 0.672 148 G HN 0.283 nan 8.290 nan 0.000 0.507 149 V N 1.915 121.881 119.914 0.087 0.000 2.313 149 V HA 0.390 4.511 4.120 0.002 0.000 0.278 149 V C 1.281 177.425 176.094 0.083 0.000 1.017 149 V CA 0.142 62.492 62.300 0.083 0.000 0.823 149 V CB 1.088 32.965 31.823 0.091 0.000 1.010 149 V HN 0.564 nan 8.190 nan 0.000 0.443 150 K N 1.982 122.422 120.400 0.067 0.000 2.067 150 K HA 0.030 4.352 4.320 0.002 0.000 0.203 150 K C 0.983 177.620 176.600 0.062 0.000 1.048 150 K CA 1.109 57.431 56.287 0.058 0.000 0.954 150 K CB 0.266 32.793 32.500 0.044 0.000 0.737 150 K HN 0.508 nan 8.250 nan 0.000 0.444 151 D N 0.743 121.180 120.400 0.061 0.000 2.527 151 D HA 0.014 4.656 4.640 0.002 0.000 0.249 151 D C 0.444 176.794 176.300 0.083 0.000 1.029 151 D CA 0.171 54.209 54.000 0.064 0.000 0.951 151 D CB 0.180 41.010 40.800 0.050 0.000 1.093 151 D HN 0.165 nan 8.370 nan 0.000 0.464 152 R N 0.585 121.131 120.500 0.077 0.000 3.160 152 R HA 0.087 4.428 4.340 0.002 0.000 0.289 152 R C -2.213 174.151 176.300 0.106 0.000 1.014 152 R CA -0.439 55.709 56.100 0.079 0.000 1.188 152 R CB -1.489 28.848 30.300 0.062 0.000 1.177 152 R HN 0.073 nan 8.270 nan 0.000 0.523 153 P HA 0.317 nan 4.420 nan 0.000 0.284 153 P C -0.696 176.629 177.300 0.043 0.000 1.287 153 P CA -0.742 62.423 63.100 0.108 0.000 0.824 153 P CB 0.708 32.459 31.700 0.085 0.000 1.180 154 L N 0.551 121.751 121.223 -0.038 0.000 2.307 154 L HA 0.444 4.786 4.340 0.002 0.000 0.282 154 L C 0.320 177.150 176.870 -0.067 0.000 1.051 154 L CA -0.299 54.490 54.840 -0.086 0.000 0.804 154 L CB 1.205 43.110 42.059 -0.256 0.000 1.197 154 L HN 0.432 nan 8.230 nan 0.000 0.431 155 T N 0.366 114.901 114.554 -0.033 0.000 2.824 155 T HA 0.840 5.191 4.350 0.002 0.000 0.280 155 T C -0.468 174.209 174.700 -0.039 0.000 0.995 155 T CA -0.761 61.320 62.100 -0.032 0.000 1.009 155 T CB 2.156 71.013 68.868 -0.019 0.000 0.955 155 T HN 0.731 nan 8.240 nan 0.000 0.452 156 A N 2.163 124.952 122.820 -0.052 0.000 2.566 156 A HA 0.715 5.037 4.320 0.002 0.000 0.297 156 A C -0.469 177.070 177.584 -0.074 0.000 1.059 156 A CA -1.015 50.983 52.037 -0.066 0.000 0.691 156 A CB 1.456 20.418 19.000 -0.062 0.000 1.282 156 A HN 0.843 nan 8.150 nan 0.000 0.401 157 T N 1.475 115.964 114.554 -0.108 0.000 2.809 157 T HA 0.553 4.904 4.350 0.002 0.000 0.284 157 T C -0.449 174.177 174.700 -0.124 0.000 0.992 157 T CA -0.443 61.583 62.100 -0.123 0.000 0.957 157 T CB 1.291 70.052 68.868 -0.180 0.000 0.942 157 T HN 0.602 nan 8.240 nan 0.000 0.439 158 V N 5.675 125.547 119.914 -0.070 0.000 2.539 158 V HA 0.428 4.550 4.120 0.002 0.000 0.292 158 V C -2.144 173.906 176.094 -0.073 0.000 1.045 158 V CA -2.111 60.169 62.300 -0.034 0.000 0.945 158 V CB 1.372 33.216 31.823 0.036 0.000 0.993 158 V HN 0.688 nan 8.190 nan 0.000 0.464 159 P HA 0.412 nan 4.420 nan 0.000 0.284 159 P C -0.994 176.385 177.300 0.132 0.000 1.253 159 P CA -0.681 62.358 63.100 -0.101 0.000 0.800 159 P CB 0.826 32.271 31.700 -0.425 0.000 0.961 160 K N 3.293 123.782 120.400 0.148 0.000 2.182 160 K HA 0.456 4.777 4.320 0.002 0.000 0.262 160 K C -2.148 174.562 176.600 0.183 0.000 0.957 160 K CA -2.127 54.237 56.287 0.128 0.000 0.842 160 K CB 0.843 33.371 32.500 0.048 0.000 1.099 160 K HN 0.398 nan 8.250 nan 0.000 0.438 161 P HA 0.024 nan 4.420 nan 0.000 0.273 161 P C -0.706 176.659 177.300 0.110 0.000 1.250 161 P CA -0.166 62.908 63.100 -0.044 0.000 0.793 161 P CB 0.527 32.081 31.700 -0.242 0.000 1.011 162 K N -0.187 120.239 120.400 0.044 0.000 2.437 162 K HA 0.233 4.554 4.320 0.002 0.000 0.198 162 K C 0.713 177.306 176.600 -0.011 0.000 1.024 162 K CA 0.194 56.527 56.287 0.076 0.000 1.148 162 K CB -0.066 32.477 32.500 0.073 0.000 0.860 162 K HN 0.326 nan 8.250 nan 0.000 0.515 163 M N -1.754 117.799 119.600 -0.079 0.000 3.693 163 M HA 0.277 4.758 4.480 0.002 0.000 0.313 163 M C 0.382 176.619 176.300 -0.105 0.000 1.498 163 M CA -0.247 55.018 55.300 -0.058 0.000 0.845 163 M CB 0.407 33.048 32.600 0.068 0.000 1.920 163 M HN 0.100 nan 8.290 nan 0.000 0.471 164 G N 0.166 109.010 108.800 0.074 0.000 2.230 164 G HA2 -0.241 3.720 3.960 0.002 0.000 0.270 164 G HA3 -0.241 3.720 3.960 0.002 0.000 0.270 164 G C -0.449 174.353 174.900 -0.163 0.000 0.987 164 G CA 0.895 45.838 45.100 -0.262 0.000 0.664 164 G HN 0.602 nan 8.290 nan 0.000 0.539 165 W N 1.215 122.593 121.300 0.129 0.000 2.148 165 W HA 0.481 5.142 4.660 0.002 0.000 0.347 165 W C 1.199 177.978 176.519 0.433 0.000 1.288 165 W CA 0.205 57.689 57.345 0.232 0.000 1.252 165 W CB 0.458 30.159 29.460 0.401 0.000 1.156 165 W HN 0.445 nan 8.180 nan 0.000 0.580 166 S N -0.036 116.019 115.700 0.592 0.000 2.722 166 S HA 0.346 4.817 4.470 0.002 0.000 0.292 166 S C 0.563 175.422 174.600 0.433 0.000 1.135 166 S CA -0.682 57.815 58.200 0.495 0.000 1.003 166 S CB 1.269 64.652 63.200 0.305 0.000 1.067 166 S HN 0.359 nan 8.310 nan 0.000 0.546 167 V N 0.621 120.715 119.914 0.301 0.000 2.392 167 V HA -0.102 4.020 4.120 0.002 0.000 0.249 167 V C 2.734 178.939 176.094 0.186 0.000 1.059 167 V CA 2.171 64.580 62.300 0.182 0.000 1.051 167 V CB -1.312 30.575 31.823 0.106 0.000 0.658 167 V HN 0.878 nan 8.190 nan 0.000 0.455 168 E N 0.925 121.238 120.200 0.190 0.000 2.004 168 E HA -0.158 4.193 4.350 0.002 0.000 0.193 168 E C 2.225 178.936 176.600 0.185 0.000 0.985 168 E CA 1.407 57.899 56.400 0.154 0.000 0.832 168 E CB -0.542 29.232 29.700 0.123 0.000 0.787 168 E HN 0.640 nan 8.360 nan 0.000 0.466 169 E N -0.538 119.806 120.200 0.239 0.000 2.245 169 E HA -0.293 4.058 4.350 0.002 0.000 0.217 169 E C 2.114 178.844 176.600 0.216 0.000 1.069 169 E CA 1.804 58.389 56.400 0.307 0.000 0.877 169 E CB -0.477 29.506 29.700 0.472 0.000 0.757 169 E HN 0.320 nan 8.360 nan 0.000 0.464 170 Y N 0.504 120.847 120.300 0.072 0.000 2.114 170 Y HA -0.258 4.294 4.550 0.003 0.000 0.284 170 Y C 2.459 178.227 175.900 -0.219 0.000 1.143 170 Y CA 1.661 59.645 58.100 -0.193 0.000 1.135 170 Y CB -0.498 37.920 38.460 -0.071 0.000 0.980 170 Y HN 0.049 nan 8.280 nan 0.000 0.499 171 A N 0.181 123.049 122.820 0.080 0.000 1.873 171 A HA -0.307 4.014 4.320 0.002 0.000 0.218 171 A C 2.096 179.663 177.584 -0.029 0.000 1.193 171 A CA 2.232 54.282 52.037 0.021 0.000 0.629 171 A CB -1.003 18.035 19.000 0.064 0.000 0.826 171 A HN 0.617 nan 8.150 nan 0.000 0.447 172 E N -1.038 119.159 120.200 -0.005 0.000 2.114 172 E HA -0.205 4.146 4.350 0.002 0.000 0.199 172 E C 1.846 178.427 176.600 -0.030 0.000 1.008 172 E CA 1.337 57.747 56.400 0.018 0.000 0.810 172 E CB -0.214 29.507 29.700 0.035 0.000 0.739 172 E HN 0.631 nan 8.360 nan 0.000 0.456 173 I N 0.075 120.513 120.570 -0.220 0.000 2.876 173 I HA -0.056 4.115 4.170 0.002 0.000 0.264 173 I C 1.972 177.795 176.117 -0.490 0.000 1.204 173 I CA 0.638 61.734 61.300 -0.340 0.000 1.485 173 I CB -0.431 37.276 38.000 -0.488 0.000 1.103 173 I HN -0.053 nan 8.210 nan 0.000 0.446 174 A N 0.615 123.101 122.820 -0.556 0.000 1.832 174 A HA -0.296 4.026 4.320 0.002 0.000 0.214 174 A C 2.257 179.571 177.584 -0.450 0.000 1.200 174 A CA 1.594 53.174 52.037 -0.762 0.000 0.610 174 A CB -1.535 17.028 19.000 -0.727 0.000 0.842 174 A HN 0.525 nan 8.150 nan 0.000 0.444 175 Y N 0.789 120.989 120.300 -0.166 0.000 2.172 175 Y HA -0.328 4.224 4.550 0.003 0.000 0.280 175 Y C 2.403 178.285 175.900 -0.031 0.000 1.209 175 Y CA 2.446 60.561 58.100 0.025 0.000 1.171 175 Y CB 0.078 38.544 38.460 0.011 0.000 0.965 175 Y HN 0.381 nan 8.280 nan 0.000 0.520 176 E N -0.004 120.039 120.200 -0.262 0.000 2.076 176 E HA -0.154 4.197 4.350 0.002 0.000 0.190 176 E C 2.376 178.795 176.600 -0.302 0.000 0.979 176 E CA 1.029 57.262 56.400 -0.278 0.000 0.807 176 E CB -0.422 29.200 29.700 -0.131 0.000 0.761 176 E HN 0.542 nan 8.360 nan 0.000 0.454 177 L N -0.177 120.838 121.223 -0.347 0.000 2.012 177 L HA -0.185 4.156 4.340 0.002 0.000 0.210 177 L C 2.535 179.225 176.870 -0.299 0.000 1.073 177 L CA 1.171 55.795 54.840 -0.360 0.000 0.748 177 L CB -0.341 41.407 42.059 -0.519 0.000 0.891 177 L HN 0.271 nan 8.230 nan 0.000 0.431 178 W N -0.069 121.071 121.300 -0.267 0.000 2.363 178 W HA -0.126 4.535 4.660 0.002 0.000 0.296 178 W C 2.837 179.206 176.519 -0.249 0.000 1.212 178 W CA 1.064 58.273 57.345 -0.227 0.000 1.260 178 W CB -0.895 28.435 29.460 -0.217 0.000 1.131 178 W HN 0.140 nan 8.180 nan 0.000 0.530 179 S N -0.454 115.145 115.700 -0.170 0.000 2.402 179 S HA -0.081 4.390 4.470 0.002 0.000 0.229 179 S C 1.982 176.488 174.600 -0.156 0.000 1.021 179 S CA 1.470 59.507 58.200 -0.273 0.000 0.974 179 S CB -0.516 62.285 63.200 -0.666 0.000 0.800 179 S HN 0.329 nan 8.310 nan 0.000 0.484 180 G N -0.466 108.249 108.800 -0.141 0.000 2.777 180 G HA2 0.402 4.363 3.960 0.002 0.000 0.211 180 G HA3 0.402 4.363 3.960 0.002 0.000 0.211 180 G C 0.792 175.650 174.900 -0.070 0.000 1.149 180 G CA 0.517 45.552 45.100 -0.108 0.000 0.785 180 G HN 0.708 nan 8.290 nan 0.000 0.536 181 G N -0.443 108.329 108.800 -0.046 0.000 2.507 181 G HA2 -0.120 3.842 3.960 0.002 0.000 0.205 181 G HA3 -0.120 3.842 3.960 0.002 0.000 0.205 181 G C 0.184 175.090 174.900 0.010 0.000 0.996 181 G CA -0.465 44.629 45.100 -0.010 0.000 0.776 181 G HN 0.167 nan 8.290 nan 0.000 0.532 182 I N 1.645 122.213 120.570 -0.003 0.000 2.696 182 I HA 0.190 4.362 4.170 0.002 0.000 0.284 182 I C 0.799 177.003 176.117 0.145 0.000 1.129 182 I CA 0.197 61.504 61.300 0.011 0.000 1.410 182 I CB 0.740 38.691 38.000 -0.081 0.000 1.399 182 I HN -0.014 nan 8.210 nan 0.000 0.579 183 D N 4.297 124.762 120.400 0.109 0.000 2.232 183 D HA 0.144 4.786 4.640 0.002 0.000 0.220 183 D C 0.510 176.954 176.300 0.240 0.000 0.982 183 D CA 1.148 55.238 54.000 0.151 0.000 0.892 183 D CB 0.294 41.138 40.800 0.074 0.000 1.040 183 D HN 0.277 nan 8.370 nan 0.000 0.463 184 L N 2.233 123.526 121.223 0.117 0.000 2.276 184 L HA 0.273 4.614 4.340 0.002 0.000 0.286 184 L C -0.419 176.458 176.870 0.012 0.000 1.024 184 L CA -0.924 53.975 54.840 0.099 0.000 0.826 184 L CB 1.747 43.772 42.059 -0.056 0.000 1.211 184 L HN -0.009 nan 8.230 nan 0.000 0.422 185 L N 4.861 126.127 121.223 0.072 0.000 2.462 185 L HA 0.127 4.469 4.340 0.002 0.000 0.272 185 L C 0.166 177.057 176.870 0.035 0.000 1.166 185 L CA 0.615 55.336 54.840 -0.197 0.000 0.880 185 L CB 0.311 42.124 42.059 -0.411 0.000 1.142 185 L HN 0.577 nan 8.230 nan 0.000 0.473 186 K N 3.711 124.103 120.400 -0.013 0.000 2.292 186 K HA 0.374 4.695 4.320 0.002 0.000 0.257 186 K C -0.858 175.839 176.600 0.161 0.000 0.940 186 K CA -0.769 55.542 56.287 0.040 0.000 0.811 186 K CB 1.070 33.561 32.500 -0.015 0.000 1.120 186 K HN 0.575 nan 8.250 nan 0.000 0.428 187 D N 1.382 121.913 120.400 0.218 0.000 2.411 187 D HA 0.026 4.667 4.640 0.002 0.000 0.251 187 D C -0.700 175.768 176.300 0.280 0.000 1.201 187 D CA 0.077 54.294 54.000 0.361 0.000 0.996 187 D CB 0.836 41.829 40.800 0.321 0.000 1.101 187 D HN 0.558 nan 8.370 nan 0.000 0.504 188 D N 0.800 121.400 120.400 0.332 0.000 2.249 188 D HA -0.054 4.587 4.640 0.002 0.000 0.246 188 D C 1.166 177.574 176.300 0.179 0.000 1.114 188 D CA -0.201 53.943 54.000 0.241 0.000 0.854 188 D CB 0.872 41.780 40.800 0.181 0.000 1.132 188 D HN 0.493 nan 8.370 nan 0.000 0.461 189 E N 3.734 123.958 120.200 0.039 0.000 2.533 189 E HA -0.375 3.976 4.350 0.002 0.000 0.234 189 E C -0.125 176.449 176.600 -0.044 0.000 1.163 189 E CA 1.635 57.893 56.400 -0.236 0.000 0.894 189 E CB 0.096 29.471 29.700 -0.543 0.000 0.761 189 E HN 0.368 nan 8.360 nan 0.000 0.477 190 N N -0.940 117.833 118.700 0.121 0.000 2.382 190 N HA 0.125 4.866 4.740 0.002 0.000 0.200 190 N C -0.528 175.184 175.510 0.335 0.000 1.122 190 N CA -0.094 53.074 53.050 0.195 0.000 0.870 190 N CB 0.258 38.876 38.487 0.218 0.000 1.176 190 N HN 0.167 nan 8.380 nan 0.000 0.474 191 F N 2.020 122.049 119.950 0.132 0.000 2.490 191 F HA 0.067 4.596 4.527 0.003 0.000 0.357 191 F C 1.389 177.080 175.800 -0.181 0.000 1.166 191 F CA 0.067 58.105 58.000 0.064 0.000 1.116 191 F CB 0.493 39.577 39.000 0.141 0.000 1.171 191 F HN 0.085 nan 8.300 nan 0.000 0.576 192 T N 0.332 114.547 114.554 -0.564 0.000 3.463 192 T HA 0.234 4.586 4.350 0.002 0.000 0.203 192 T C 0.104 174.368 174.700 -0.725 0.000 0.955 192 T CA -0.280 61.523 62.100 -0.495 0.000 1.230 192 T CB 0.620 69.311 68.868 -0.295 0.000 1.392 192 T HN 0.319 nan 8.240 nan 0.000 0.361 193 S N 0.230 115.425 115.700 -0.841 0.000 2.619 193 S HA 0.720 5.192 4.470 0.002 0.000 0.280 193 S C -1.986 172.190 174.600 -0.706 0.000 1.150 193 S CA -0.873 56.889 58.200 -0.730 0.000 0.978 193 S CB 0.505 63.545 63.200 -0.268 0.000 1.041 193 S HN 0.431 nan 8.310 nan 0.000 0.485 194 F N 3.524 123.232 119.950 -0.404 0.000 2.565 194 F HA 0.396 4.924 4.527 0.001 0.000 0.313 194 F C -1.583 173.801 175.800 -0.693 0.000 1.091 194 F CA -2.278 55.354 58.000 -0.613 0.000 0.915 194 F CB 1.928 40.234 39.000 -1.157 0.000 1.208 194 F HN 0.354 nan 8.300 nan 0.000 0.453 195 P HA -0.312 nan 4.420 nan 0.000 0.227 195 P C 1.215 178.458 177.300 -0.095 0.000 1.141 195 P CA 2.294 65.320 63.100 -0.123 0.000 0.964 195 P CB -0.178 31.538 31.700 0.025 0.000 0.784 196 F N -4.149 115.902 119.950 0.169 0.000 2.748 196 F HA 0.236 4.764 4.527 0.002 0.000 0.299 196 F C 0.507 176.407 175.800 0.167 0.000 1.154 196 F CA 0.116 58.207 58.000 0.151 0.000 1.446 196 F CB -0.646 38.440 39.000 0.143 0.000 1.112 196 F HN -0.173 nan 8.300 nan 0.000 0.584 197 N N 1.172 119.946 118.700 0.124 0.000 2.793 197 N HA 0.199 4.941 4.740 0.002 0.000 0.251 197 N C -1.464 173.929 175.510 -0.195 0.000 1.308 197 N CA -0.270 52.809 53.050 0.048 0.000 0.781 197 N CB 0.982 39.621 38.487 0.254 0.000 1.439 197 N HN 0.211 nan 8.380 nan 0.000 0.562 198 R N 1.530 121.946 120.500 -0.140 0.000 2.500 198 R HA 0.329 4.671 4.340 0.002 0.000 0.277 198 R C 1.054 177.251 176.300 -0.171 0.000 1.026 198 R CA -0.473 55.546 56.100 -0.136 0.000 1.058 198 R CB 0.893 31.161 30.300 -0.054 0.000 1.078 198 R HN 0.318 nan 8.270 nan 0.000 0.509 199 F N 1.837 121.655 119.950 -0.221 0.000 2.026 199 F HA -0.235 4.292 4.527 0.002 0.000 0.296 199 F C 2.170 177.905 175.800 -0.109 0.000 1.133 199 F CA 2.260 60.138 58.000 -0.204 0.000 1.188 199 F CB -0.147 38.734 39.000 -0.198 0.000 0.968 199 F HN 0.739 nan 8.300 nan 0.000 0.476 200 E N 0.133 120.462 120.200 0.215 0.000 2.035 200 E HA -0.321 4.030 4.350 0.002 0.000 0.204 200 E C 2.066 178.687 176.600 0.035 0.000 1.025 200 E CA 2.254 58.745 56.400 0.151 0.000 0.835 200 E CB -0.334 29.426 29.700 0.100 0.000 0.764 200 E HN 0.579 nan 8.360 nan 0.000 0.457 201 E N -0.204 119.998 120.200 0.003 0.000 2.267 201 E HA -0.239 4.112 4.350 0.002 0.000 0.197 201 E C 2.194 178.777 176.600 -0.028 0.000 0.998 201 E CA 0.777 57.177 56.400 -0.000 0.000 0.830 201 E CB -0.171 29.534 29.700 0.007 0.000 0.751 201 E HN 0.192 nan 8.360 nan 0.000 0.491 202 R N 1.062 121.492 120.500 -0.117 0.000 2.090 202 R HA -0.101 4.240 4.340 0.002 0.000 0.228 202 R C 2.492 178.743 176.300 -0.082 0.000 1.110 202 R CA 1.139 57.137 56.100 -0.170 0.000 0.973 202 R CB -0.061 29.998 30.300 -0.401 0.000 0.869 202 R HN 0.230 nan 8.270 nan 0.000 0.440 203 V N -0.207 119.675 119.914 -0.054 0.000 2.379 203 V HA -0.113 4.009 4.120 0.002 0.000 0.245 203 V C 1.942 178.197 176.094 0.267 0.000 1.044 203 V CA 1.308 63.719 62.300 0.185 0.000 1.036 203 V CB -0.470 31.469 31.823 0.194 0.000 0.664 203 V HN 0.278 nan 8.190 nan 0.000 0.453 204 R N 0.460 121.043 120.500 0.138 0.000 2.117 204 R HA -0.182 4.159 4.340 0.002 0.000 0.243 204 R C 2.382 178.755 176.300 0.121 0.000 1.143 204 R CA 1.931 58.103 56.100 0.120 0.000 0.968 204 R CB -0.482 29.860 30.300 0.071 0.000 0.863 204 R HN 0.491 nan 8.270 nan 0.000 0.444 205 K N 1.016 121.474 120.400 0.097 0.000 1.995 205 K HA -0.014 4.307 4.320 0.002 0.000 0.207 205 K C 1.921 178.570 176.600 0.082 0.000 1.041 205 K CA 1.008 57.340 56.287 0.076 0.000 0.942 205 K CB -0.495 32.038 32.500 0.055 0.000 0.731 205 K HN -0.042 nan 8.250 nan 0.000 0.439 206 L N 0.691 121.948 121.223 0.056 0.000 2.079 206 L HA -0.194 4.147 4.340 0.002 0.000 0.210 206 L C 2.339 179.172 176.870 -0.061 0.000 1.081 206 L CA 1.796 56.630 54.840 -0.009 0.000 0.752 206 L CB -1.123 40.837 42.059 -0.165 0.000 0.896 206 L HN 0.273 nan 8.230 nan 0.000 0.433 207 Y N 0.328 120.687 120.300 0.097 0.000 2.181 207 Y HA -0.222 4.329 4.550 0.002 0.000 0.288 207 Y C 2.757 178.652 175.900 -0.009 0.000 1.146 207 Y CA 1.251 59.375 58.100 0.041 0.000 1.164 207 Y CB -0.168 38.323 38.460 0.052 0.000 0.982 207 Y HN 0.174 nan 8.280 nan 0.000 0.515 208 R N -0.629 119.952 120.500 0.135 0.000 2.092 208 R HA -0.107 4.235 4.340 0.002 0.000 0.231 208 R C 2.020 178.344 176.300 0.039 0.000 1.119 208 R CA 1.490 57.634 56.100 0.072 0.000 0.970 208 R CB -0.735 29.604 30.300 0.065 0.000 0.864 208 R HN 0.194 nan 8.270 nan 0.000 0.440 209 V N 1.312 121.259 119.914 0.055 0.000 2.358 209 V HA -0.221 3.901 4.120 0.002 0.000 0.246 209 V C 2.521 178.633 176.094 0.030 0.000 1.047 209 V CA 1.596 63.961 62.300 0.109 0.000 1.035 209 V CB -0.730 31.223 31.823 0.218 0.000 0.658 209 V HN 0.270 nan 8.190 nan 0.000 0.452 210 R N 1.002 121.370 120.500 -0.220 0.000 2.097 210 R HA -0.218 4.123 4.340 0.002 0.000 0.236 210 R C 1.997 178.073 176.300 -0.374 0.000 1.135 210 R CA 2.649 58.316 56.100 -0.721 0.000 0.934 210 R CB -0.883 29.025 30.300 -0.654 0.000 0.846 210 R HN 0.641 nan 8.270 nan 0.000 0.431 211 D N -0.064 120.242 120.400 -0.156 0.000 2.084 211 D HA -0.193 4.448 4.640 0.002 0.000 0.196 211 D C 2.011 178.284 176.300 -0.044 0.000 0.985 211 D CA 1.083 55.033 54.000 -0.083 0.000 0.826 211 D CB -0.417 40.370 40.800 -0.023 0.000 0.978 211 D HN 0.295 nan 8.370 nan 0.000 0.456 212 R N 1.317 121.815 120.500 -0.002 0.000 2.174 212 R HA -0.180 4.162 4.340 0.002 0.000 0.253 212 R C 2.086 178.436 176.300 0.083 0.000 1.165 212 R CA 1.255 57.378 56.100 0.040 0.000 0.984 212 R CB -0.326 30.008 30.300 0.057 0.000 0.873 212 R HN 0.025 nan 8.270 nan 0.000 0.456 213 V N 0.960 120.915 119.914 0.069 0.000 2.453 213 V HA -0.153 3.968 4.120 0.002 0.000 0.247 213 V C 2.068 178.151 176.094 -0.018 0.000 1.048 213 V CA 1.924 64.264 62.300 0.067 0.000 1.049 213 V CB -0.304 31.547 31.823 0.047 0.000 0.672 213 V HN 0.434 nan 8.190 nan 0.000 0.457 214 E N 0.345 120.498 120.200 -0.078 0.000 2.049 214 E HA -0.275 4.077 4.350 0.002 0.000 0.198 214 E C 2.337 178.929 176.600 -0.013 0.000 1.007 214 E CA 1.517 57.883 56.400 -0.057 0.000 0.809 214 E CB -0.360 29.302 29.700 -0.063 0.000 0.749 214 E HN 0.599 nan 8.360 nan 0.000 0.450 215 A N 1.704 124.523 122.820 -0.002 0.000 1.859 215 A HA -0.260 4.061 4.320 0.002 0.000 0.217 215 A C 2.038 179.639 177.584 0.029 0.000 1.198 215 A CA 1.562 53.607 52.037 0.015 0.000 0.629 215 A CB -0.513 18.498 19.000 0.018 0.000 0.830 215 A HN 0.099 nan 8.150 nan 0.000 0.446 216 E N -0.497 119.734 120.200 0.051 0.000 2.002 216 E HA -0.202 4.149 4.350 0.002 0.000 0.213 216 E C 2.474 179.099 176.600 0.041 0.000 1.024 216 E CA 2.213 58.657 56.400 0.073 0.000 0.876 216 E CB -1.342 28.455 29.700 0.161 0.000 0.799 216 E HN 0.725 nan 8.360 nan 0.000 0.497 217 T N -2.264 112.307 114.554 0.028 0.000 2.624 217 T HA -0.207 4.144 4.350 0.002 0.000 0.268 217 T C 1.663 176.372 174.700 0.013 0.000 1.041 217 T CA 3.455 65.563 62.100 0.014 0.000 1.159 217 T CB -0.509 68.359 68.868 0.001 0.000 0.863 217 T HN 0.491 nan 8.240 nan 0.000 0.434 218 G N 0.832 109.639 108.800 0.011 0.000 2.259 218 G HA2 -0.166 3.796 3.960 0.002 0.000 0.217 218 G HA3 -0.166 3.796 3.960 0.002 0.000 0.217 218 G C -0.015 174.894 174.900 0.016 0.000 1.001 218 G CA 0.177 45.285 45.100 0.014 0.000 0.627 218 G HN 0.773 nan 8.290 nan 0.000 0.501 219 E N 0.569 120.777 120.200 0.013 0.000 2.292 219 E HA 0.599 4.951 4.350 0.002 0.000 0.258 219 E C -0.128 176.477 176.600 0.009 0.000 1.115 219 E CA -0.264 56.148 56.400 0.020 0.000 0.929 219 E CB 0.864 30.579 29.700 0.025 0.000 1.161 219 E HN 0.091 nan 8.360 nan 0.000 0.453 220 T N 1.384 115.957 114.554 0.031 0.000 2.918 220 T HA 0.357 4.708 4.350 0.002 0.000 0.283 220 T C -0.465 174.234 174.700 -0.001 0.000 1.001 220 T CA -0.733 61.381 62.100 0.024 0.000 1.041 220 T CB 0.579 69.497 68.868 0.084 0.000 1.028 220 T HN 0.189 nan 8.240 nan 0.000 0.511 221 K N 2.542 122.892 120.400 -0.083 0.000 2.553 221 K HA 0.451 4.773 4.320 0.002 0.000 0.250 221 K C -0.661 175.853 176.600 -0.143 0.000 0.953 221 K CA -0.758 55.412 56.287 -0.195 0.000 0.800 221 K CB 2.757 34.810 32.500 -0.745 0.000 1.243 221 K HN 0.508 nan 8.250 nan 0.000 0.435 222 E N 0.907 121.183 120.200 0.127 0.000 2.412 222 E HA 0.419 4.770 4.350 0.002 0.000 0.255 222 E C -1.351 175.503 176.600 0.424 0.000 0.933 222 E CA -0.761 55.780 56.400 0.235 0.000 0.823 222 E CB 1.986 31.914 29.700 0.380 0.000 1.352 222 E HN 0.409 nan 8.360 nan 0.000 0.406 223 Y N 0.983 121.402 120.300 0.199 0.000 2.322 223 Y HA 0.329 4.880 4.550 0.002 0.000 0.324 223 Y C -1.260 174.642 175.900 0.004 0.000 1.027 223 Y CA -0.841 57.345 58.100 0.143 0.000 1.179 223 Y CB 0.338 38.866 38.460 0.112 0.000 1.136 223 Y HN 0.357 nan 8.280 nan 0.000 0.449 224 L N 8.657 129.818 121.223 -0.103 0.000 2.384 224 L HA 0.271 4.612 4.340 0.002 0.000 0.258 224 L C 0.645 177.323 176.870 -0.321 0.000 1.266 224 L CA -0.102 54.545 54.840 -0.322 0.000 1.162 224 L CB -0.345 41.399 42.059 -0.525 0.000 1.375 224 L HN 0.661 nan 8.230 nan 0.000 0.420 225 I N 1.397 121.652 120.570 -0.524 0.000 2.882 225 I HA 0.035 4.206 4.170 0.002 0.000 0.286 225 I C 0.440 176.433 176.117 -0.206 0.000 1.139 225 I CA 0.193 61.087 61.300 -0.678 0.000 1.379 225 I CB 0.668 38.166 38.000 -0.836 0.000 1.410 225 I HN 0.562 nan 8.210 nan 0.000 0.594 226 N N 6.787 125.420 118.700 -0.112 0.000 2.706 226 N HA 0.241 4.982 4.740 0.002 0.000 0.240 226 N C 0.455 176.002 175.510 0.063 0.000 1.039 226 N CA -0.551 52.492 53.050 -0.011 0.000 0.888 226 N CB 0.747 39.229 38.487 -0.009 0.000 1.128 226 N HN 0.761 nan 8.380 nan 0.000 0.512 227 I N 0.513 121.093 120.570 0.016 0.000 3.686 227 I HA 0.150 4.321 4.170 0.002 0.000 0.308 227 I C -0.088 175.951 176.117 -0.129 0.000 1.254 227 I CA -0.142 61.096 61.300 -0.104 0.000 1.175 227 I CB -0.399 37.512 38.000 -0.148 0.000 1.009 227 I HN 0.124 nan 8.210 nan 0.000 0.459 228 T N 2.051 116.556 114.554 -0.082 0.000 2.926 228 T HA 0.568 4.919 4.350 0.002 0.000 0.307 228 T C 0.423 175.060 174.700 -0.106 0.000 1.059 228 T CA 0.500 62.551 62.100 -0.082 0.000 1.122 228 T CB 1.063 69.892 68.868 -0.065 0.000 0.972 228 T HN 0.780 nan 8.240 nan 0.000 0.545 229 G N 2.182 110.923 108.800 -0.099 0.000 2.361 229 G HA2 0.340 4.302 3.960 0.002 0.000 0.305 229 G HA3 0.340 4.302 3.960 0.002 0.000 0.305 229 G C -3.327 171.512 174.900 -0.102 0.000 1.367 229 G CA -1.298 43.741 45.100 -0.102 0.000 0.951 229 G HN 0.548 nan 8.290 nan 0.000 0.615 230 P HA 0.158 nan 4.420 nan 0.000 0.266 230 P C 1.667 178.888 177.300 -0.132 0.000 1.186 230 P CA 0.344 63.386 63.100 -0.096 0.000 0.767 230 P CB 0.593 32.243 31.700 -0.083 0.000 0.820 231 V N 1.616 121.437 119.914 -0.155 0.000 2.282 231 V HA -0.369 3.752 4.120 0.002 0.000 0.249 231 V C 1.842 177.786 176.094 -0.249 0.000 1.057 231 V CA 2.463 64.625 62.300 -0.230 0.000 1.032 231 V CB -2.068 29.554 31.823 -0.335 0.000 0.645 231 V HN 0.537 nan 8.190 nan 0.000 0.447 232 N N 2.078 120.648 118.700 -0.217 0.000 2.096 232 N HA -0.236 4.506 4.740 0.002 0.000 0.195 232 N C 1.607 177.018 175.510 -0.164 0.000 1.017 232 N CA 2.545 55.487 53.050 -0.180 0.000 0.870 232 N CB -0.702 37.707 38.487 -0.131 0.000 1.024 232 N HN 0.495 nan 8.380 nan 0.000 0.434 233 I N -0.357 120.112 120.570 -0.169 0.000 2.400 233 I HA -0.005 4.166 4.170 0.002 0.000 0.248 233 I C 2.273 178.242 176.117 -0.246 0.000 1.109 233 I CA 0.792 61.974 61.300 -0.196 0.000 1.425 233 I CB -0.747 37.136 38.000 -0.194 0.000 1.094 233 I HN 0.201 nan 8.210 nan 0.000 0.425 234 M N 0.611 120.083 119.600 -0.214 0.000 2.144 234 M HA -0.262 4.219 4.480 0.002 0.000 0.260 234 M C 2.213 178.406 176.300 -0.177 0.000 1.067 234 M CA 1.887 57.065 55.300 -0.203 0.000 1.095 234 M CB -0.381 32.131 32.600 -0.147 0.000 1.365 234 M HN 0.299 nan 8.290 nan 0.000 0.406 235 E N 0.491 120.597 120.200 -0.157 0.000 2.028 235 E HA -0.166 4.185 4.350 0.002 0.000 0.190 235 E C 1.812 178.347 176.600 -0.108 0.000 0.984 235 E CA 1.080 57.424 56.400 -0.093 0.000 0.800 235 E CB 0.114 29.771 29.700 -0.071 0.000 0.758 235 E HN 0.393 nan 8.360 nan 0.000 0.448 236 K N 0.213 120.532 120.400 -0.136 0.000 2.152 236 K HA -0.151 4.170 4.320 0.002 0.000 0.206 236 K C 2.229 178.713 176.600 -0.193 0.000 1.048 236 K CA 1.391 57.596 56.287 -0.136 0.000 0.933 236 K CB -0.132 32.288 32.500 -0.132 0.000 0.721 236 K HN 0.139 nan 8.250 nan 0.000 0.447 237 R N 0.142 120.452 120.500 -0.316 0.000 2.240 237 R HA 0.065 4.407 4.340 0.002 0.000 0.203 237 R C 2.235 178.386 176.300 -0.248 0.000 1.011 237 R CA 0.689 56.499 56.100 -0.483 0.000 1.007 237 R CB -0.074 29.533 30.300 -1.155 0.000 0.911 237 R HN 0.149 nan 8.270 nan 0.000 0.468 238 A N 1.800 124.523 122.820 -0.160 0.000 1.897 238 A HA -0.133 4.189 4.320 0.002 0.000 0.215 238 A C 1.751 179.305 177.584 -0.051 0.000 1.181 238 A CA 0.926 52.920 52.037 -0.071 0.000 0.620 238 A CB -0.154 18.825 19.000 -0.036 0.000 0.821 238 A HN 0.270 nan 8.150 nan 0.000 0.443 239 E N 0.096 120.263 120.200 -0.055 0.000 2.333 239 E HA -0.177 4.174 4.350 0.002 0.000 0.198 239 E C 1.836 178.410 176.600 -0.043 0.000 1.007 239 E CA 1.399 57.775 56.400 -0.041 0.000 0.845 239 E CB -0.369 29.310 29.700 -0.034 0.000 0.766 239 E HN 0.791 nan 8.360 nan 0.000 0.507 240 M N -0.354 119.225 119.600 -0.036 0.000 2.486 240 M HA 0.030 4.511 4.480 0.002 0.000 0.264 240 M C 2.088 178.366 176.300 -0.036 0.000 1.125 240 M CA 0.598 55.892 55.300 -0.010 0.000 1.144 240 M CB 0.108 32.744 32.600 0.059 0.000 1.353 240 M HN -0.083 nan 8.290 nan 0.000 0.466 241 V N 1.244 121.142 119.914 -0.025 0.000 2.970 241 V HA -0.097 4.024 4.120 0.002 0.000 0.260 241 V C 2.648 178.593 176.094 -0.249 0.000 1.100 241 V CA 1.736 63.962 62.300 -0.124 0.000 1.122 241 V CB -0.861 30.968 31.823 0.009 0.000 0.721 241 V HN 0.517 nan 8.190 nan 0.000 0.483 242 A N -0.036 122.703 122.820 -0.136 0.000 1.975 242 A HA -0.079 4.243 4.320 0.002 0.000 0.215 242 A C 2.020 179.524 177.584 -0.133 0.000 1.170 242 A CA 1.389 53.355 52.037 -0.118 0.000 0.656 242 A CB -0.443 18.519 19.000 -0.063 0.000 0.821 242 A HN 0.543 nan 8.150 nan 0.000 0.449 243 N N 0.768 119.396 118.700 -0.120 0.000 2.051 243 N HA -0.119 4.622 4.740 0.002 0.000 0.192 243 N C 1.352 176.784 175.510 -0.130 0.000 1.049 243 N CA 1.607 54.598 53.050 -0.098 0.000 0.845 243 N CB -0.244 38.208 38.487 -0.058 0.000 1.031 243 N HN 0.512 nan 8.380 nan 0.000 0.425 244 E N -0.098 119.987 120.200 -0.191 0.000 2.516 244 E HA 0.082 4.433 4.350 0.002 0.000 0.199 244 E C 0.275 176.696 176.600 -0.298 0.000 1.069 244 E CA 0.603 56.880 56.400 -0.204 0.000 0.876 244 E CB -0.334 29.263 29.700 -0.172 0.000 0.843 244 E HN 0.403 nan 8.360 nan 0.000 0.530 245 G N 0.866 109.481 108.800 -0.308 0.000 2.520 245 G HA2 -0.116 3.846 3.960 0.002 0.000 0.264 245 G HA3 -0.116 3.846 3.960 0.002 0.000 0.264 245 G C 0.132 174.856 174.900 -0.293 0.000 1.140 245 G CA -0.224 44.723 45.100 -0.256 0.000 1.012 245 G HN 0.522 nan 8.290 nan 0.000 0.511 246 G N -1.011 107.592 108.800 -0.328 0.000 2.452 246 G HA2 0.600 4.562 3.960 0.002 0.000 0.324 246 G HA3 0.600 4.562 3.960 0.002 0.000 0.324 246 G C 0.250 175.092 174.900 -0.097 0.000 1.214 246 G CA -0.573 44.455 45.100 -0.121 0.000 0.947 246 G HN 0.290 nan 8.290 nan 0.000 0.478 247 Q N 0.234 119.943 119.800 -0.152 0.000 2.246 247 Q HA 0.250 4.591 4.340 0.002 0.000 0.202 247 Q C -0.919 174.917 176.000 -0.275 0.000 0.883 247 Q CA 0.238 55.803 55.803 -0.397 0.000 0.952 247 Q CB 0.349 28.492 28.738 -0.992 0.000 1.078 247 Q HN 0.620 nan 8.270 nan 0.000 0.493 248 Y N -0.614 119.653 120.300 -0.055 0.000 2.499 248 Y HA 0.529 5.080 4.550 0.002 0.000 0.347 248 Y C -0.523 175.387 175.900 0.017 0.000 0.987 248 Y CA -1.498 56.605 58.100 0.006 0.000 1.044 248 Y CB 2.168 40.673 38.460 0.076 0.000 1.245 248 Y HN -0.168 nan 8.280 nan 0.000 0.461 249 V N 2.547 122.614 119.914 0.255 0.000 2.498 249 V HA 0.400 4.522 4.120 0.002 0.000 0.283 249 V C -0.529 175.641 176.094 0.126 0.000 1.015 249 V CA -1.078 61.304 62.300 0.137 0.000 0.867 249 V CB 1.100 32.971 31.823 0.080 0.000 1.025 249 V HN 0.898 nan 8.190 nan 0.000 0.441 250 M N 6.688 126.318 119.600 0.050 0.000 2.336 250 M HA 0.324 4.805 4.480 0.002 0.000 0.371 250 M C -1.119 175.239 176.300 0.096 0.000 1.542 250 M CA 1.392 56.748 55.300 0.095 0.000 0.959 250 M CB -0.208 32.383 32.600 -0.013 0.000 2.033 250 M HN 0.699 nan 8.290 nan 0.000 0.472 251 I N 4.653 125.298 120.570 0.125 0.000 2.533 251 I HA 0.267 4.438 4.170 0.002 0.000 0.290 251 I C -0.914 175.218 176.117 0.025 0.000 1.056 251 I CA -0.951 60.380 61.300 0.052 0.000 1.057 251 I CB 2.035 40.065 38.000 0.049 0.000 1.240 251 I HN 0.577 nan 8.210 nan 0.000 0.423 252 D N 6.978 127.362 120.400 -0.026 0.000 2.470 252 D HA 0.131 4.773 4.640 0.002 0.000 0.226 252 D C 1.669 177.931 176.300 -0.063 0.000 1.196 252 D CA -0.060 53.911 54.000 -0.048 0.000 0.979 252 D CB 0.944 41.694 40.800 -0.083 0.000 1.059 252 D HN 0.521 nan 8.370 nan 0.000 0.515 253 I N -0.967 119.561 120.570 -0.070 0.000 2.335 253 I HA -0.251 3.921 4.170 0.002 0.000 0.251 253 I C 1.292 177.264 176.117 -0.241 0.000 1.129 253 I CA 1.162 62.367 61.300 -0.159 0.000 1.402 253 I CB -0.385 37.511 38.000 -0.173 0.000 1.069 253 I HN 0.003 nan 8.210 nan 0.000 0.424 254 V N 1.326 121.153 119.914 -0.146 0.000 2.719 254 V HA -0.117 4.005 4.120 0.002 0.000 0.252 254 V C 2.733 178.766 176.094 -0.103 0.000 1.065 254 V CA 1.246 63.467 62.300 -0.132 0.000 1.086 254 V CB -0.590 31.221 31.823 -0.020 0.000 0.700 254 V HN 0.336 nan 8.190 nan 0.000 0.467 255 V N 1.128 120.992 119.914 -0.084 0.000 2.221 255 V HA -0.193 3.928 4.120 0.002 0.000 0.242 255 V C 2.866 178.926 176.094 -0.057 0.000 1.041 255 V CA 2.033 64.297 62.300 -0.060 0.000 0.995 255 V CB -1.606 30.185 31.823 -0.053 0.000 0.635 255 V HN 0.475 nan 8.190 nan 0.000 0.448 256 A N -0.045 122.733 122.820 -0.069 0.000 1.881 256 A HA 0.178 4.500 4.320 0.002 0.000 0.219 256 A C 1.501 179.047 177.584 -0.063 0.000 1.215 256 A CA 2.432 54.430 52.037 -0.065 0.000 0.648 256 A CB -1.173 17.786 19.000 -0.069 0.000 0.832 256 A HN 1.787 nan 8.150 nan 0.000 0.455 257 G N -5.258 103.474 108.800 -0.113 0.000 2.440 257 G HA2 -0.038 3.924 3.960 0.002 0.000 0.684 257 G HA3 -0.038 3.924 3.960 0.002 0.000 0.684 257 G C -0.015 174.840 174.900 -0.075 0.000 1.309 257 G CA -0.040 45.008 45.100 -0.087 0.000 0.931 257 G HN 0.437 nan 8.290 nan 0.000 0.612 258 W N 0.194 121.526 121.300 0.053 0.000 2.444 258 W HA 0.097 4.758 4.660 0.003 0.000 0.308 258 W C 3.055 179.585 176.519 0.017 0.000 1.183 258 W CA 1.850 59.206 57.345 0.020 0.000 1.340 258 W CB -0.148 29.285 29.460 -0.046 0.000 1.138 258 W HN 0.836 nan 8.180 nan 0.000 0.510 259 S N 0.505 116.365 115.700 0.266 0.000 2.440 259 S HA -0.189 4.282 4.470 0.002 0.000 0.238 259 S C 1.728 176.422 174.600 0.157 0.000 1.010 259 S CA 1.569 59.876 58.200 0.177 0.000 0.972 259 S CB -0.337 62.944 63.200 0.135 0.000 0.774 259 S HN 0.144 nan 8.310 nan 0.000 0.501 260 A N 0.694 123.591 122.820 0.129 0.000 1.984 260 A HA 0.383 4.705 4.320 0.002 0.000 0.214 260 A C 2.165 179.819 177.584 0.116 0.000 1.173 260 A CA 0.571 52.651 52.037 0.072 0.000 0.673 260 A CB -0.553 18.458 19.000 0.018 0.000 0.830 260 A HN 0.553 nan 8.150 nan 0.000 0.453 261 L N -0.647 120.671 121.223 0.158 0.000 2.109 261 L HA -0.173 4.168 4.340 0.002 0.000 0.207 261 L C 2.770 179.765 176.870 0.208 0.000 1.086 261 L CA 0.967 55.915 54.840 0.180 0.000 0.760 261 L CB -0.282 41.938 42.059 0.267 0.000 0.910 261 L HN 0.464 nan 8.230 nan 0.000 0.437 262 Q N -0.702 119.230 119.800 0.220 0.000 1.948 262 Q HA -0.325 4.016 4.340 0.002 0.000 0.205 262 Q C 2.058 178.155 176.000 0.161 0.000 0.992 262 Q CA 2.512 58.409 55.803 0.156 0.000 0.849 262 Q CB -0.808 27.988 28.738 0.096 0.000 0.918 262 Q HN 0.554 nan 8.270 nan 0.000 0.421 263 Y N 0.858 121.172 120.300 0.024 0.000 2.139 263 Y HA -0.281 4.271 4.550 0.003 0.000 0.282 263 Y C 2.199 178.102 175.900 0.006 0.000 1.179 263 Y CA 1.361 59.462 58.100 0.003 0.000 1.161 263 Y CB 0.002 38.464 38.460 0.002 0.000 0.970 263 Y HN 0.126 nan 8.280 nan 0.000 0.511 264 M N -0.119 119.736 119.600 0.425 0.000 2.549 264 M HA -0.135 4.346 4.480 0.002 0.000 0.260 264 M C 2.021 178.410 176.300 0.149 0.000 1.076 264 M CA 1.218 56.690 55.300 0.287 0.000 1.090 264 M CB -0.840 31.869 32.600 0.182 0.000 1.418 264 M HN 0.281 nan 8.290 nan 0.000 0.486 265 R N 1.124 121.689 120.500 0.109 0.000 2.062 265 R HA -0.078 4.263 4.340 0.002 0.000 0.231 265 R C 1.835 178.152 176.300 0.027 0.000 1.136 265 R CA 1.808 57.954 56.100 0.076 0.000 0.948 265 R CB -0.456 29.872 30.300 0.046 0.000 0.845 265 R HN 0.375 nan 8.270 nan 0.000 0.430 266 E N -0.563 119.607 120.200 -0.051 0.000 2.077 266 E HA -0.158 4.193 4.350 0.002 0.000 0.193 266 E C 1.924 178.470 176.600 -0.089 0.000 0.989 266 E CA 1.567 57.895 56.400 -0.120 0.000 0.800 266 E CB -0.035 29.517 29.700 -0.247 0.000 0.746 266 E HN 0.136 nan 8.360 nan 0.000 0.452 267 V N 1.146 121.032 119.914 -0.046 0.000 2.255 267 V HA -0.292 3.830 4.120 0.002 0.000 0.247 267 V C 2.734 178.852 176.094 0.040 0.000 1.051 267 V CA 2.255 64.571 62.300 0.026 0.000 1.018 267 V CB -0.954 30.962 31.823 0.156 0.000 0.641 267 V HN 0.539 nan 8.190 nan 0.000 0.445 268 T N -2.032 112.563 114.554 0.069 0.000 2.996 268 T HA -0.226 4.125 4.350 0.002 0.000 0.271 268 T C 1.651 176.410 174.700 0.098 0.000 1.126 268 T CA 1.605 63.757 62.100 0.087 0.000 1.103 268 T CB -0.276 68.657 68.868 0.108 0.000 0.870 268 T HN 0.417 nan 8.240 nan 0.000 0.528 269 E N 2.070 122.301 120.200 0.052 0.000 2.023 269 E HA -0.128 4.223 4.350 0.002 0.000 0.196 269 E C 1.806 178.417 176.600 0.018 0.000 1.003 269 E CA 1.798 58.214 56.400 0.026 0.000 0.809 269 E CB -0.800 28.884 29.700 -0.026 0.000 0.755 269 E HN 0.538 nan 8.360 nan 0.000 0.449 270 D N -0.079 120.320 120.400 -0.002 0.000 2.108 270 D HA -0.175 4.466 4.640 0.002 0.000 0.190 270 D C 2.006 178.308 176.300 0.003 0.000 0.995 270 D CA 1.674 55.667 54.000 -0.011 0.000 0.834 270 D CB -0.388 40.397 40.800 -0.026 0.000 0.967 270 D HN 0.270 nan 8.370 nan 0.000 0.446 271 L N -1.254 119.980 121.223 0.017 0.000 2.492 271 L HA 0.266 4.607 4.340 0.002 0.000 0.223 271 L C 1.391 178.283 176.870 0.037 0.000 1.132 271 L CA 0.437 55.284 54.840 0.013 0.000 0.850 271 L CB -0.300 41.761 42.059 0.004 0.000 0.966 271 L HN 0.135 nan 8.230 nan 0.000 0.454 272 G N 1.134 109.990 108.800 0.093 0.000 2.204 272 G HA2 -0.248 3.714 3.960 0.002 0.000 0.244 272 G HA3 -0.248 3.714 3.960 0.002 0.000 0.244 272 G C -0.139 174.915 174.900 0.257 0.000 1.062 272 G CA -0.319 44.897 45.100 0.194 0.000 0.798 272 G HN 0.203 nan 8.290 nan 0.000 0.496 273 L N 0.637 121.957 121.223 0.162 0.000 2.264 273 L HA 0.671 5.012 4.340 0.002 0.000 0.289 273 L C 0.943 177.770 176.870 -0.073 0.000 1.044 273 L CA -0.478 54.364 54.840 0.003 0.000 0.807 273 L CB 1.668 43.746 42.059 0.031 0.000 1.192 273 L HN 0.371 nan 8.230 nan 0.000 0.425 274 A N 6.141 128.687 122.820 -0.457 0.000 2.347 274 A HA 0.494 4.815 4.320 0.002 0.000 0.287 274 A C -0.047 177.505 177.584 -0.053 0.000 1.199 274 A CA -0.360 51.344 52.037 -0.556 0.000 0.851 274 A CB -0.112 18.318 19.000 -0.951 0.000 1.118 274 A HN 0.655 nan 8.150 nan 0.000 0.525 275 I N 3.234 123.858 120.570 0.090 0.000 2.581 275 I HA 0.191 4.363 4.170 0.002 0.000 0.288 275 I C 0.518 176.805 176.117 0.283 0.000 1.047 275 I CA -0.158 61.253 61.300 0.185 0.000 1.374 275 I CB 0.809 38.905 38.000 0.160 0.000 1.423 275 I HN 0.748 nan 8.210 nan 0.000 0.549 276 H N 5.426 124.585 119.070 0.149 0.000 2.600 276 H HA 0.704 5.261 4.556 0.003 0.000 0.357 276 H C -1.502 173.855 175.328 0.049 0.000 1.106 276 H CA -0.695 55.424 56.048 0.118 0.000 1.193 276 H CB 1.940 31.774 29.762 0.119 0.000 1.594 276 H HN 0.709 nan 8.280 nan 0.000 0.526 277 A N 3.359 126.022 122.820 -0.262 0.000 2.299 277 A HA 0.480 4.801 4.320 0.002 0.000 0.332 277 A C -1.309 176.131 177.584 -0.240 0.000 1.131 277 A CA -0.624 51.333 52.037 -0.134 0.000 0.844 277 A CB 0.945 19.885 19.000 -0.100 0.000 1.251 277 A HN 0.946 nan 8.150 nan 0.000 0.486 278 H N -0.169 118.765 119.070 -0.227 0.000 3.149 278 H HA 0.343 4.901 4.556 0.003 0.000 0.334 278 H C 0.635 175.883 175.328 -0.134 0.000 1.000 278 H CA -0.642 55.254 56.048 -0.253 0.000 1.415 278 H CB 0.972 30.749 29.762 0.026 0.000 1.819 278 H HN 0.709 nan 8.280 nan 0.000 0.486 279 R N 3.267 123.779 120.500 0.020 0.000 2.339 279 R HA 0.256 4.597 4.340 0.002 0.000 0.199 279 R C 0.584 176.890 176.300 0.009 0.000 1.018 279 R CA 0.393 56.426 56.100 -0.111 0.000 1.036 279 R CB 0.123 30.147 30.300 -0.460 0.000 0.899 279 R HN 0.330 nan 8.270 nan 0.000 0.473 280 A N 2.050 125.085 122.820 0.357 0.000 2.583 280 A HA 0.055 4.377 4.320 0.002 0.000 0.249 280 A C 0.799 178.438 177.584 0.091 0.000 1.035 280 A CA 1.184 53.384 52.037 0.272 0.000 0.777 280 A CB -0.269 18.900 19.000 0.281 0.000 0.942 280 A HN 0.767 nan 8.150 nan 0.000 0.516 281 M N 0.738 120.387 119.600 0.080 0.000 3.130 281 M HA -0.212 4.269 4.480 0.002 0.000 0.242 281 M C 0.795 176.999 176.300 -0.160 0.000 0.501 281 M CA 1.465 56.741 55.300 -0.040 0.000 0.926 281 M CB -2.001 30.541 32.600 -0.095 0.000 3.281 281 M HN 1.167 nan 8.290 nan 0.000 0.314 282 H N -0.942 117.997 119.070 -0.219 0.000 2.470 282 H HA 0.462 5.019 4.556 0.002 0.000 0.289 282 H C 1.667 176.840 175.328 -0.258 0.000 1.033 282 H CA 1.012 56.885 56.048 -0.291 0.000 1.331 282 H CB -0.221 29.588 29.762 0.078 0.000 1.414 282 H HN 0.460 nan 8.280 nan 0.000 0.545 283 A N 1.431 123.950 122.820 -0.502 0.000 2.255 283 A HA -0.120 4.202 4.320 0.002 0.000 0.218 283 A C 2.400 179.811 177.584 -0.289 0.000 1.175 283 A CA 1.226 52.984 52.037 -0.463 0.000 0.682 283 A CB -1.029 17.869 19.000 -0.170 0.000 0.784 283 A HN 0.730 nan 8.150 nan 0.000 0.482 284 A N -1.572 120.993 122.820 -0.424 0.000 2.206 284 A HA 0.345 4.667 4.320 0.002 0.000 0.211 284 A C 1.200 178.719 177.584 -0.109 0.000 1.158 284 A CA 1.267 53.100 52.037 -0.339 0.000 0.761 284 A CB -0.345 18.352 19.000 -0.506 0.000 0.801 284 A HN 1.108 nan 8.150 nan 0.000 0.473 285 F N -4.289 115.617 119.950 -0.073 0.000 2.764 285 F HA 0.113 4.642 4.527 0.002 0.000 0.393 285 F C 1.300 177.071 175.800 -0.048 0.000 0.854 285 F CA 0.448 58.411 58.000 -0.062 0.000 1.003 285 F CB -0.791 38.181 39.000 -0.047 0.000 1.085 285 F HN -0.039 nan 8.300 nan 0.000 0.592 286 T N -0.919 113.879 114.554 0.405 0.000 3.215 286 T HA 0.146 4.498 4.350 0.002 0.000 0.254 286 T C 1.581 176.308 174.700 0.046 0.000 1.149 286 T CA 0.720 62.944 62.100 0.207 0.000 1.042 286 T CB 0.173 69.142 68.868 0.169 0.000 0.966 286 T HN 0.367 nan 8.240 nan 0.000 0.534 287 R N 1.461 121.963 120.500 0.004 0.000 2.038 287 R HA 0.117 4.459 4.340 0.002 0.000 0.214 287 R C 0.873 177.169 176.300 -0.006 0.000 1.249 287 R CA -0.092 55.990 56.100 -0.030 0.000 1.025 287 R CB -0.251 30.010 30.300 -0.065 0.000 0.911 287 R HN 0.250 nan 8.270 nan 0.000 0.456 288 N N 2.401 121.098 118.700 -0.004 0.000 2.256 288 N HA -0.074 4.667 4.740 0.002 0.000 0.277 288 N C -2.117 173.379 175.510 -0.022 0.000 1.362 288 N CA -0.293 52.751 53.050 -0.010 0.000 0.861 288 N CB 1.085 39.572 38.487 0.000 0.000 1.136 288 N HN 0.111 nan 8.380 nan 0.000 0.492 289 P HA 0.047 nan 4.420 nan 0.000 0.249 289 P C 0.284 177.383 177.300 -0.335 0.000 1.241 289 P CA 0.618 63.648 63.100 -0.117 0.000 0.781 289 P CB 0.269 31.932 31.700 -0.063 0.000 1.088 290 R N -2.953 117.361 120.500 -0.310 0.000 2.446 290 R HA 0.253 4.595 4.340 0.002 0.000 0.254 290 R C 0.167 176.383 176.300 -0.140 0.000 0.918 290 R CA 0.020 55.840 56.100 -0.468 0.000 1.069 290 R CB 0.322 30.503 30.300 -0.199 0.000 1.194 290 R HN 0.184 nan 8.270 nan 0.000 0.534 291 H N -0.237 118.761 119.070 -0.119 0.000 3.087 291 H HA 0.429 4.986 4.556 0.002 0.000 0.348 291 H C -0.264 175.035 175.328 -0.048 0.000 1.092 291 H CA 0.688 56.723 56.048 -0.022 0.000 1.285 291 H CB 2.072 31.814 29.762 -0.033 0.000 1.875 291 H HN 0.286 nan 8.280 nan 0.000 0.512 292 G N 3.620 112.455 108.800 0.059 0.000 2.250 292 G HA2 -0.006 3.956 3.960 0.002 0.000 0.196 292 G HA3 -0.006 3.956 3.960 0.002 0.000 0.196 292 G C -1.750 173.189 174.900 0.066 0.000 1.308 292 G CA -0.180 44.899 45.100 -0.034 0.000 1.207 292 G HN 0.483 nan 8.290 nan 0.000 0.505 293 I N 1.551 122.115 120.570 -0.010 0.000 2.571 293 I HA 0.395 4.566 4.170 0.002 0.000 0.289 293 I C 0.746 176.887 176.117 0.041 0.000 1.115 293 I CA 0.041 61.336 61.300 -0.008 0.000 1.045 293 I CB 1.340 39.215 38.000 -0.207 0.000 1.238 293 I HN 0.986 nan 8.210 nan 0.000 0.424 294 T N 3.035 117.618 114.554 0.047 0.000 2.916 294 T HA 0.055 4.407 4.350 0.002 0.000 0.303 294 T C 1.202 175.952 174.700 0.082 0.000 1.025 294 T CA -0.297 61.834 62.100 0.051 0.000 1.142 294 T CB 0.706 69.580 68.868 0.009 0.000 0.947 294 T HN 0.571 nan 8.240 nan 0.000 0.544 295 M N 3.520 123.193 119.600 0.122 0.000 2.255 295 M HA -0.073 4.408 4.480 0.002 0.000 0.259 295 M C 1.555 177.905 176.300 0.084 0.000 1.071 295 M CA 1.546 56.952 55.300 0.177 0.000 1.074 295 M CB -1.314 31.398 32.600 0.187 0.000 1.384 295 M HN 0.819 nan 8.290 nan 0.000 0.415 296 L N -0.124 121.088 121.223 -0.017 0.000 2.072 296 L HA 0.056 4.398 4.340 0.002 0.000 0.205 296 L C 2.334 179.088 176.870 -0.193 0.000 1.079 296 L CA 1.677 56.413 54.840 -0.173 0.000 0.752 296 L CB -0.993 40.897 42.059 -0.282 0.000 0.906 296 L HN 0.322 nan 8.230 nan 0.000 0.436 297 A N 0.108 122.872 122.820 -0.094 0.000 1.896 297 A HA -0.307 4.015 4.320 0.002 0.000 0.220 297 A C 2.349 180.095 177.584 0.270 0.000 1.206 297 A CA 2.532 54.588 52.037 0.031 0.000 0.647 297 A CB -1.282 17.770 19.000 0.085 0.000 0.828 297 A HN 0.621 nan 8.150 nan 0.000 0.455 298 L N -1.185 120.206 121.223 0.280 0.000 2.056 298 L HA -0.015 4.327 4.340 0.002 0.000 0.207 298 L C 2.493 179.593 176.870 0.384 0.000 1.078 298 L CA 1.642 56.748 54.840 0.443 0.000 0.749 298 L CB -0.441 41.869 42.059 0.419 0.000 0.901 298 L HN 0.348 nan 8.230 nan 0.000 0.433 299 A N -0.113 122.832 122.820 0.209 0.000 2.225 299 A HA -0.206 4.115 4.320 0.002 0.000 0.215 299 A C 2.183 179.950 177.584 0.305 0.000 1.164 299 A CA 1.745 53.908 52.037 0.211 0.000 0.710 299 A CB -0.348 18.718 19.000 0.110 0.000 0.780 299 A HN 0.616 nan 8.150 nan 0.000 0.473 300 K N -0.780 119.772 120.400 0.253 0.000 2.157 300 K HA 0.361 4.683 4.320 0.002 0.000 0.207 300 K C 2.143 179.110 176.600 0.612 0.000 1.030 300 K CA 0.930 57.456 56.287 0.398 0.000 0.965 300 K CB -0.447 31.976 32.500 -0.129 0.000 0.877 300 K HN 0.134 nan 8.250 nan 0.000 0.460 301 A N 1.375 124.619 122.820 0.706 0.000 1.894 301 A HA -0.281 4.041 4.320 0.002 0.000 0.220 301 A C 2.367 180.143 177.584 0.320 0.000 1.237 301 A CA 2.735 54.961 52.037 0.315 0.000 0.660 301 A CB -1.542 17.434 19.000 -0.040 0.000 0.835 301 A HN 0.551 nan 8.150 nan 0.000 0.461 302 A N -0.842 122.305 122.820 0.545 0.000 2.239 302 A HA 0.011 4.332 4.320 0.002 0.000 0.209 302 A C 2.076 179.904 177.584 0.408 0.000 1.171 302 A CA 1.313 53.668 52.037 0.529 0.000 0.768 302 A CB -0.495 18.860 19.000 0.592 0.000 0.790 302 A HN 0.702 nan 8.150 nan 0.000 0.478 303 R N -0.979 119.781 120.500 0.435 0.000 2.127 303 R HA 0.123 4.464 4.340 0.002 0.000 0.217 303 R C 1.890 178.376 176.300 0.310 0.000 1.074 303 R CA 1.098 57.410 56.100 0.354 0.000 0.991 303 R CB -0.352 30.154 30.300 0.342 0.000 0.895 303 R HN 0.452 nan 8.270 nan 0.000 0.450 304 M N 1.012 120.831 119.600 0.365 0.000 2.065 304 M HA -0.133 4.348 4.480 0.002 0.000 0.259 304 M C 2.066 178.541 176.300 0.292 0.000 1.069 304 M CA 1.890 57.324 55.300 0.224 0.000 1.110 304 M CB -0.057 32.650 32.600 0.178 0.000 1.328 304 M HN 0.193 nan 8.290 nan 0.000 0.405 305 I N -0.769 120.008 120.570 0.345 0.000 2.454 305 I HA -0.144 4.027 4.170 0.002 0.000 0.254 305 I C 1.266 177.512 176.117 0.215 0.000 1.156 305 I CA 1.167 62.648 61.300 0.302 0.000 1.433 305 I CB -0.657 37.502 38.000 0.264 0.000 1.082 305 I HN 0.678 nan 8.210 nan 0.000 0.432 306 G N 1.359 110.294 108.800 0.225 0.000 2.189 306 G HA2 -0.119 3.842 3.960 0.002 0.000 0.113 306 G HA3 -0.119 3.842 3.960 0.002 0.000 0.113 306 G C 0.094 175.110 174.900 0.193 0.000 1.038 306 G CA -0.142 45.072 45.100 0.189 0.000 0.704 306 G HN 0.184 nan 8.290 nan 0.000 0.490 307 V N -1.714 118.321 119.914 0.203 0.000 2.715 307 V HA 0.528 4.650 4.120 0.002 0.000 0.299 307 V C 0.714 176.913 176.094 0.175 0.000 1.054 307 V CA 0.153 62.560 62.300 0.178 0.000 1.077 307 V CB 1.456 33.374 31.823 0.159 0.000 0.972 307 V HN 0.160 nan 8.190 nan 0.000 0.484 308 D N 2.582 123.090 120.400 0.179 0.000 2.340 308 D HA 0.172 4.813 4.640 0.002 0.000 0.217 308 D C 0.241 176.680 176.300 0.231 0.000 1.081 308 D CA 0.416 54.535 54.000 0.198 0.000 0.842 308 D CB 0.754 41.665 40.800 0.186 0.000 0.934 308 D HN 0.780 nan 8.370 nan 0.000 0.511 309 Q N 0.548 120.450 119.800 0.169 0.000 2.320 309 Q HA 0.546 4.887 4.340 0.002 0.000 0.272 309 Q C -1.382 174.558 176.000 -0.099 0.000 1.023 309 Q CA -0.364 55.491 55.803 0.088 0.000 0.855 309 Q CB 3.199 31.976 28.738 0.063 0.000 1.367 309 Q HN 0.052 nan 8.270 nan 0.000 0.406 310 I N 0.329 120.852 120.570 -0.079 0.000 2.969 310 I HA 0.427 4.599 4.170 0.002 0.000 0.307 310 I C -1.136 174.854 176.117 -0.212 0.000 1.149 310 I CA -0.802 60.378 61.300 -0.200 0.000 1.008 310 I CB 2.060 40.016 38.000 -0.072 0.000 1.232 310 I HN 0.736 nan 8.210 nan 0.000 0.435 311 H N 2.988 121.949 119.070 -0.181 0.000 2.610 311 H HA 0.252 4.809 4.556 0.002 0.000 0.336 311 H C 0.362 175.617 175.328 -0.121 0.000 1.087 311 H CA 0.254 56.194 56.048 -0.180 0.000 1.405 311 H CB 1.314 30.921 29.762 -0.259 0.000 1.460 311 H HN 0.670 nan 8.280 nan 0.000 0.538 312 T N 0.162 114.734 114.554 0.030 0.000 3.238 312 T HA 0.523 4.874 4.350 0.002 0.000 0.242 312 T C 0.965 175.671 174.700 0.011 0.000 0.980 312 T CA 0.237 62.344 62.100 0.013 0.000 1.235 312 T CB 0.573 69.435 68.868 -0.009 0.000 1.069 312 T HN 0.795 nan 8.240 nan 0.000 0.407 313 G N 0.370 109.139 108.800 -0.052 0.000 2.356 313 G HA2 0.418 4.380 3.960 0.002 0.000 0.288 313 G HA3 0.418 4.380 3.960 0.002 0.000 0.288 313 G C -0.731 174.062 174.900 -0.179 0.000 1.302 313 G CA -0.024 45.035 45.100 -0.069 0.000 0.887 313 G HN 1.031 nan 8.290 nan 0.000 0.521 314 T N -2.785 111.724 114.554 -0.076 0.000 2.831 314 T HA 0.850 5.202 4.350 0.002 0.000 0.287 314 T C -0.245 174.571 174.700 0.193 0.000 1.070 314 T CA 0.402 62.486 62.100 -0.026 0.000 1.010 314 T CB 1.809 70.654 68.868 -0.038 0.000 1.264 314 T HN 2.272 nan 8.240 nan 0.000 0.532 315 A N 1.333 124.304 122.820 0.251 0.000 2.923 315 A HA 0.707 5.028 4.320 0.002 0.000 0.343 315 A C -0.695 176.979 177.584 0.150 0.000 1.199 315 A CA -0.542 51.679 52.037 0.307 0.000 0.878 315 A CB -0.511 18.777 19.000 0.481 0.000 1.104 315 A HN 1.076 nan 8.150 nan 0.000 0.483 316 V N 0.229 120.203 119.914 0.102 0.000 2.966 316 V HA 0.374 4.496 4.120 0.002 0.000 0.288 316 V C 1.407 177.536 176.094 0.058 0.000 1.380 316 V CA -0.293 62.039 62.300 0.054 0.000 0.966 316 V CB 1.225 33.062 31.823 0.024 0.000 1.115 316 V HN 0.793 nan 8.190 nan 0.000 0.436 317 G N 2.021 110.852 108.800 0.052 0.000 2.649 317 G HA2 -0.284 3.677 3.960 0.002 0.000 0.220 317 G HA3 -0.284 3.677 3.960 0.002 0.000 0.220 317 G C 1.441 176.369 174.900 0.047 0.000 1.189 317 G CA 1.643 46.772 45.100 0.049 0.000 0.777 317 G HN 0.653 nan 8.290 nan 0.000 0.602 318 K N -0.038 120.391 120.400 0.047 0.000 2.049 318 K HA -0.122 4.199 4.320 0.002 0.000 0.219 318 K C 1.658 178.279 176.600 0.035 0.000 1.056 318 K CA 1.144 57.455 56.287 0.039 0.000 0.946 318 K CB -0.402 32.122 32.500 0.039 0.000 0.723 318 K HN 0.415 nan 8.250 nan 0.000 0.453 319 M N 0.844 120.467 119.600 0.038 0.000 2.901 319 M HA 0.180 4.661 4.480 0.002 0.000 0.294 319 M C -0.336 176.004 176.300 0.066 0.000 1.255 319 M CA -0.139 55.187 55.300 0.043 0.000 1.274 319 M CB 0.662 33.279 32.600 0.029 0.000 1.173 319 M HN 0.046 nan 8.290 nan 0.000 0.525 320 A N 2.699 125.555 122.820 0.061 0.000 2.253 320 A HA 0.245 4.567 4.320 0.002 0.000 0.225 320 A C 0.950 178.584 177.584 0.084 0.000 1.521 320 A CA 0.151 52.230 52.037 0.070 0.000 1.494 320 A CB -1.442 17.589 19.000 0.050 0.000 0.804 320 A HN 0.855 nan 8.150 nan 0.000 0.614 321 G N 0.418 109.278 108.800 0.101 0.000 2.298 321 G HA2 0.165 4.127 3.960 0.002 0.000 0.263 321 G HA3 0.165 4.127 3.960 0.002 0.000 0.263 321 G C 0.318 175.304 174.900 0.144 0.000 1.229 321 G CA -0.332 44.833 45.100 0.109 0.000 0.976 321 G HN 0.563 nan 8.290 nan 0.000 0.459 322 N N 1.929 120.701 118.700 0.120 0.000 2.095 322 N HA -0.222 4.520 4.740 0.002 0.000 0.278 322 N C 1.055 176.684 175.510 0.199 0.000 1.338 322 N CA 0.055 53.188 53.050 0.137 0.000 1.091 322 N CB -0.458 38.090 38.487 0.102 0.000 1.500 322 N HN 0.622 nan 8.380 nan 0.000 0.478 323 Y N 1.939 122.292 120.300 0.089 0.000 2.588 323 Y HA -0.263 4.289 4.550 0.003 0.000 0.279 323 Y C 1.282 177.222 175.900 0.066 0.000 1.171 323 Y CA 1.517 59.675 58.100 0.097 0.000 1.425 323 Y CB 0.249 38.728 38.460 0.032 0.000 0.960 323 Y HN 0.537 nan 8.280 nan 0.000 0.585 324 E N -0.073 120.271 120.200 0.239 0.000 2.140 324 E HA -0.113 4.239 4.350 0.002 0.000 0.191 324 E C 1.912 178.537 176.600 0.040 0.000 0.973 324 E CA 1.101 57.589 56.400 0.147 0.000 0.829 324 E CB -0.304 29.474 29.700 0.131 0.000 0.781 324 E HN 0.729 nan 8.360 nan 0.000 0.466 325 E N 1.487 121.717 120.200 0.049 0.000 2.011 325 E HA -0.062 4.289 4.350 0.002 0.000 0.191 325 E C 2.211 178.819 176.600 0.013 0.000 0.980 325 E CA 0.631 57.048 56.400 0.029 0.000 0.814 325 E CB -0.234 29.495 29.700 0.048 0.000 0.775 325 E HN 0.005 nan 8.360 nan 0.000 0.454 326 I N 1.147 121.738 120.570 0.036 0.000 2.130 326 I HA -0.404 3.767 4.170 0.002 0.000 0.241 326 I C 2.650 178.781 176.117 0.022 0.000 1.023 326 I CA 1.824 63.150 61.300 0.043 0.000 1.293 326 I CB -0.676 37.387 38.000 0.105 0.000 1.001 326 I HN 0.283 nan 8.210 nan 0.000 0.407 327 K N 0.228 120.546 120.400 -0.136 0.000 2.280 327 K HA -0.187 4.135 4.320 0.002 0.000 0.202 327 K C 2.113 178.683 176.600 -0.051 0.000 1.047 327 K CA 0.953 57.144 56.287 -0.160 0.000 0.942 327 K CB -0.093 32.098 32.500 -0.515 0.000 0.739 327 K HN 0.276 nan 8.250 nan 0.000 0.457 328 R N 0.871 121.350 120.500 -0.035 0.000 2.092 328 R HA -0.077 4.265 4.340 0.002 0.000 0.226 328 R C 2.348 178.643 176.300 -0.008 0.000 1.140 328 R CA 1.464 57.551 56.100 -0.022 0.000 0.910 328 R CB -0.370 29.906 30.300 -0.041 0.000 0.822 328 R HN 0.056 nan 8.270 nan 0.000 0.433 329 I N 1.148 121.700 120.570 -0.030 0.000 2.094 329 I HA -0.468 3.703 4.170 0.002 0.000 0.236 329 I C 2.160 178.323 176.117 0.076 0.000 1.016 329 I CA 2.106 63.394 61.300 -0.019 0.000 1.294 329 I CB -0.887 37.108 38.000 -0.009 0.000 1.006 329 I HN 0.483 nan 8.210 nan 0.000 0.397 330 N N 0.456 119.199 118.700 0.072 0.000 2.064 330 N HA -0.277 4.465 4.740 0.002 0.000 0.200 330 N C 1.397 176.983 175.510 0.125 0.000 1.028 330 N CA 2.181 55.293 53.050 0.103 0.000 0.880 330 N CB -0.235 38.321 38.487 0.114 0.000 1.062 330 N HN 0.374 nan 8.380 nan 0.000 0.454 331 D N -0.088 120.374 120.400 0.103 0.000 2.218 331 D HA -0.131 4.510 4.640 0.002 0.000 0.204 331 D C 1.545 177.915 176.300 0.116 0.000 0.976 331 D CA 0.496 54.546 54.000 0.084 0.000 0.853 331 D CB -0.299 40.532 40.800 0.051 0.000 0.939 331 D HN 0.311 nan 8.370 nan 0.000 0.481 332 F N 1.059 120.968 119.950 -0.067 0.000 2.084 332 F HA -0.097 4.431 4.527 0.002 0.000 0.296 332 F C 2.050 177.791 175.800 -0.098 0.000 1.111 332 F CA 1.061 58.988 58.000 -0.121 0.000 1.224 332 F CB -0.353 38.552 39.000 -0.158 0.000 0.991 332 F HN -0.138 nan 8.300 nan 0.000 0.471 333 L N 0.129 121.498 121.223 0.242 0.000 2.012 333 L HA -0.247 4.095 4.340 0.002 0.000 0.210 333 L C 2.405 179.221 176.870 -0.091 0.000 1.073 333 L CA 1.483 56.355 54.840 0.053 0.000 0.748 333 L CB -0.749 41.424 42.059 0.190 0.000 0.891 333 L HN 0.263 nan 8.230 nan 0.000 0.431 334 L N -0.576 120.630 121.223 -0.027 0.000 2.478 334 L HA -0.026 4.315 4.340 0.002 0.000 0.223 334 L C 1.556 178.376 176.870 -0.083 0.000 1.140 334 L CA -0.120 54.686 54.840 -0.057 0.000 0.842 334 L CB -0.193 41.855 42.059 -0.017 0.000 0.953 334 L HN 0.254 nan 8.230 nan 0.000 0.452 335 S N -0.096 115.532 115.700 -0.119 0.000 2.603 335 S HA 0.119 4.590 4.470 0.002 0.000 0.268 335 S C 0.222 174.767 174.600 -0.091 0.000 1.317 335 S CA -0.693 57.443 58.200 -0.105 0.000 1.012 335 S CB 1.024 64.140 63.200 -0.139 0.000 0.926 335 S HN 0.045 nan 8.310 nan 0.000 0.539 336 K N 0.849 121.234 120.400 -0.024 0.000 2.219 336 K HA 0.121 4.442 4.320 0.002 0.000 0.258 336 K C -1.297 175.388 176.600 0.143 0.000 1.008 336 K CA -0.238 56.076 56.287 0.044 0.000 0.928 336 K CB 0.482 33.015 32.500 0.055 0.000 0.983 336 K HN 0.863 nan 8.250 nan 0.000 0.484 337 W N 5.229 126.479 121.300 -0.083 0.000 1.768 337 W HA 0.167 4.828 4.660 0.002 0.000 0.306 337 W C -0.516 175.962 176.519 -0.068 0.000 1.025 337 W CA -0.325 56.968 57.345 -0.086 0.000 0.993 337 W CB -0.499 28.857 29.460 -0.175 0.000 0.966 337 W HN 0.914 nan 8.180 nan 0.000 0.285 338 E N 0.447 120.753 120.200 0.176 0.000 3.132 338 E HA -0.396 3.955 4.350 0.002 0.000 0.362 338 E C 1.787 178.445 176.600 0.096 0.000 1.473 338 E CA 2.184 58.662 56.400 0.129 0.000 1.471 338 E CB -1.261 28.451 29.700 0.021 0.000 1.727 338 E HN 0.722 nan 8.360 nan 0.000 0.509 339 H N 2.182 121.244 119.070 -0.015 0.000 2.395 339 H HA 0.083 4.640 4.556 0.002 0.000 0.299 339 H C 1.308 176.594 175.328 -0.070 0.000 1.070 339 H CA 0.829 56.847 56.048 -0.051 0.000 1.356 339 H CB -0.180 29.533 29.762 -0.082 0.000 1.401 339 H HN 0.237 nan 8.280 nan 0.000 0.524 340 I N 4.353 124.656 120.570 -0.445 0.000 2.742 340 I HA -0.068 4.104 4.170 0.002 0.000 0.287 340 I C 0.726 176.827 176.117 -0.027 0.000 1.186 340 I CA 0.526 61.688 61.300 -0.231 0.000 1.417 340 I CB -0.022 37.792 38.000 -0.310 0.000 1.377 340 I HN 0.295 nan 8.210 nan 0.000 0.556 341 R N 8.216 128.725 120.500 0.015 0.000 2.560 341 R HA 0.421 4.763 4.340 0.002 0.000 0.270 341 R C -2.334 173.979 176.300 0.020 0.000 1.074 341 R CA -1.731 54.383 56.100 0.025 0.000 1.140 341 R CB -0.099 30.223 30.300 0.036 0.000 1.073 341 R HN 0.412 nan 8.270 nan 0.000 0.527 342 P HA -0.003 nan 4.420 nan 0.000 0.268 342 P C -0.184 177.100 177.300 -0.027 0.000 1.204 342 P CA -0.037 63.036 63.100 -0.046 0.000 0.768 342 P CB 0.889 32.541 31.700 -0.080 0.000 0.842 343 V N 4.384 124.296 119.914 -0.003 0.000 3.170 343 V HA 0.306 4.428 4.120 0.002 0.000 0.309 343 V C 0.553 176.699 176.094 0.087 0.000 1.071 343 V CA -0.429 61.914 62.300 0.073 0.000 1.063 343 V CB 0.334 32.231 31.823 0.123 0.000 1.123 343 V HN 0.440 nan 8.190 nan 0.000 0.464 344 F N 1.760 121.739 119.950 0.047 0.000 2.450 344 F HA 0.510 5.039 4.527 0.003 0.000 0.332 344 F C -2.286 173.530 175.800 0.027 0.000 1.093 344 F CA -2.058 55.966 58.000 0.040 0.000 1.003 344 F CB 2.465 41.499 39.000 0.056 0.000 1.151 344 F HN 0.281 nan 8.300 nan 0.000 0.474 345 P HA 0.303 nan 4.420 nan 0.000 0.293 345 P C -1.434 175.915 177.300 0.082 0.000 1.291 345 P CA -0.453 62.723 63.100 0.126 0.000 0.867 345 P CB 1.866 33.607 31.700 0.069 0.000 1.074 346 V N 2.495 122.430 119.914 0.034 0.000 2.334 346 V HA 0.482 4.603 4.120 0.002 0.000 0.281 346 V C 0.214 176.310 176.094 0.003 0.000 1.016 346 V CA -0.656 61.674 62.300 0.051 0.000 0.832 346 V CB 1.002 32.906 31.823 0.136 0.000 0.999 346 V HN 0.621 nan 8.190 nan 0.000 0.439 347 A N 4.749 127.532 122.820 -0.063 0.000 2.671 347 A HA 0.589 4.911 4.320 0.002 0.000 0.306 347 A C 0.581 178.093 177.584 -0.120 0.000 1.473 347 A CA -0.197 51.764 52.037 -0.127 0.000 1.155 347 A CB -0.322 18.598 19.000 -0.133 0.000 1.123 347 A HN 0.860 nan 8.150 nan 0.000 0.545 348 S N 1.000 116.613 115.700 -0.146 0.000 2.501 348 S HA 0.825 5.297 4.470 0.002 0.000 0.301 348 S C 0.362 174.885 174.600 -0.129 0.000 1.096 348 S CA -0.160 57.920 58.200 -0.200 0.000 1.063 348 S CB 1.819 64.752 63.200 -0.446 0.000 1.042 348 S HN 1.785 nan 8.310 nan 0.000 0.494 349 G N 0.236 108.980 108.800 -0.095 0.000 3.442 349 G HA2 0.453 4.414 3.960 0.002 0.000 0.224 349 G HA3 0.453 4.414 3.960 0.002 0.000 0.224 349 G C 0.482 175.371 174.900 -0.017 0.000 0.988 349 G CA 0.081 45.152 45.100 -0.049 0.000 1.133 349 G HN 1.869 nan 8.290 nan 0.000 0.659 350 G N -0.319 108.473 108.800 -0.013 0.000 2.331 350 G HA2 0.085 4.046 3.960 0.002 0.000 0.254 350 G HA3 0.085 4.046 3.960 0.002 0.000 0.254 350 G C -0.083 174.838 174.900 0.034 0.000 0.879 350 G CA 0.714 45.829 45.100 0.026 0.000 1.287 350 G HN 1.115 nan 8.290 nan 0.000 0.383 351 L N 2.843 124.069 121.223 0.005 0.000 2.298 351 L HA 0.942 5.283 4.340 0.002 0.000 0.268 351 L C 0.627 177.464 176.870 -0.055 0.000 1.010 351 L CA -0.969 53.820 54.840 -0.085 0.000 0.812 351 L CB 1.659 43.668 42.059 -0.084 0.000 1.331 351 L HN 0.804 nan 8.230 nan 0.000 0.450 352 H N -2.627 116.450 119.070 0.012 0.000 2.935 352 H HA 0.206 4.764 4.556 0.002 0.000 0.297 352 H C -2.768 172.574 175.328 0.023 0.000 1.423 352 H CA -1.409 54.648 56.048 0.015 0.000 1.161 352 H CB 0.873 30.645 29.762 0.018 0.000 1.841 352 H HN 0.326 nan 8.280 nan 0.000 0.506 353 P HA -0.290 nan 4.420 nan 0.000 0.225 353 P C 1.482 178.833 177.300 0.085 0.000 1.154 353 P CA 2.981 66.153 63.100 0.121 0.000 0.933 353 P CB -0.742 31.045 31.700 0.144 0.000 0.790 354 G N -0.430 108.471 108.800 0.168 0.000 2.443 354 G HA2 -0.149 3.812 3.960 0.002 0.000 0.219 354 G HA3 -0.149 3.812 3.960 0.002 0.000 0.219 354 G C 1.719 176.592 174.900 -0.044 0.000 1.131 354 G CA 0.486 45.635 45.100 0.081 0.000 0.775 354 G HN 0.291 nan 8.290 nan 0.000 0.547 355 L N 0.118 121.205 121.223 -0.226 0.000 2.395 355 L HA 0.026 4.367 4.340 0.002 0.000 0.218 355 L C 2.740 179.574 176.870 -0.060 0.000 1.130 355 L CA -0.193 54.553 54.840 -0.156 0.000 0.826 355 L CB -0.466 41.448 42.059 -0.242 0.000 0.941 355 L HN 0.041 nan 8.230 nan 0.000 0.451 356 M N 0.450 120.023 119.600 -0.044 0.000 2.894 356 M HA -0.219 4.262 4.480 0.002 0.000 0.268 356 M C 0.006 176.325 176.300 0.032 0.000 1.054 356 M CA 2.486 57.788 55.300 0.004 0.000 1.062 356 M CB -2.707 29.901 32.600 0.014 0.000 1.242 356 M HN 0.082 nan 8.290 nan 0.000 0.508 357 P HA -0.187 nan 4.420 nan 0.000 0.216 357 P C 1.509 178.839 177.300 0.051 0.000 1.157 357 P CA 1.714 64.838 63.100 0.040 0.000 0.880 357 P CB -0.327 31.392 31.700 0.031 0.000 0.791 358 E N -0.878 119.349 120.200 0.046 0.000 2.110 358 E HA -0.176 4.176 4.350 0.002 0.000 0.193 358 E C 1.884 178.554 176.600 0.116 0.000 0.988 358 E CA 0.674 57.108 56.400 0.058 0.000 0.804 358 E CB -0.468 29.257 29.700 0.042 0.000 0.745 358 E HN -0.018 nan 8.360 nan 0.000 0.458 359 L N 1.783 123.090 121.223 0.140 0.000 1.990 359 L HA -0.238 4.103 4.340 0.002 0.000 0.213 359 L C 2.213 179.280 176.870 0.328 0.000 1.072 359 L CA 1.642 56.627 54.840 0.241 0.000 0.755 359 L CB -0.868 41.264 42.059 0.122 0.000 0.889 359 L HN 0.230 nan 8.230 nan 0.000 0.432 360 I N -0.843 119.839 120.570 0.186 0.000 2.076 360 I HA -0.342 3.830 4.170 0.002 0.000 0.237 360 I C 2.608 178.824 176.117 0.166 0.000 1.059 360 I CA 1.716 63.118 61.300 0.170 0.000 1.317 360 I CB -0.947 37.118 38.000 0.109 0.000 1.037 360 I HN 0.352 nan 8.210 nan 0.000 0.398 361 R N 1.402 121.967 120.500 0.108 0.000 2.133 361 R HA -0.196 4.146 4.340 0.002 0.000 0.247 361 R C 2.227 178.556 176.300 0.049 0.000 1.151 361 R CA 1.629 57.769 56.100 0.066 0.000 0.971 361 R CB -0.232 30.093 30.300 0.042 0.000 0.866 361 R HN 0.410 nan 8.270 nan 0.000 0.447 362 L N -0.594 120.661 121.223 0.053 0.000 2.341 362 L HA 0.014 4.355 4.340 0.002 0.000 0.214 362 L C 0.609 177.258 176.870 -0.368 0.000 1.115 362 L CA 0.630 55.392 54.840 -0.130 0.000 0.820 362 L CB 0.223 42.157 42.059 -0.208 0.000 0.944 362 L HN 0.170 nan 8.230 nan 0.000 0.452 363 F N -0.576 119.431 119.950 0.094 0.000 2.791 363 F HA 0.495 5.024 4.527 0.003 0.000 0.316 363 F C 0.967 176.800 175.800 0.055 0.000 1.134 363 F CA -0.338 57.695 58.000 0.055 0.000 1.222 363 F CB 0.098 39.119 39.000 0.034 0.000 1.034 363 F HN -0.039 nan 8.300 nan 0.000 0.516 364 G N 1.025 109.957 108.800 0.219 0.000 2.733 364 G HA2 -0.253 3.708 3.960 0.002 0.000 0.686 364 G HA3 -0.253 3.708 3.960 0.002 0.000 0.686 364 G C 0.185 175.167 174.900 0.137 0.000 1.373 364 G CA -0.770 44.417 45.100 0.145 0.000 0.838 364 G HN 0.225 nan 8.290 nan 0.000 0.588 365 K N -0.014 120.451 120.400 0.108 0.000 2.555 365 K HA 0.169 4.491 4.320 0.002 0.000 0.193 365 K C 0.390 177.086 176.600 0.159 0.000 1.032 365 K CA 0.963 57.318 56.287 0.115 0.000 1.004 365 K CB 0.207 32.761 32.500 0.090 0.000 0.804 365 K HN 0.455 nan 8.250 nan 0.000 0.496 366 D N 1.048 121.541 120.400 0.154 0.000 2.499 366 D HA 0.305 4.946 4.640 0.002 0.000 0.225 366 D C -0.593 175.881 176.300 0.290 0.000 1.124 366 D CA -0.012 54.114 54.000 0.210 0.000 0.938 366 D CB 0.328 41.133 40.800 0.009 0.000 1.014 366 D HN -0.012 nan 8.370 nan 0.000 0.517 367 L N 0.601 122.051 121.223 0.379 0.000 2.466 367 L HA 0.471 4.813 4.340 0.002 0.000 0.258 367 L C -0.822 176.080 176.870 0.053 0.000 0.973 367 L CA -1.278 53.703 54.840 0.235 0.000 0.826 367 L CB 2.617 44.730 42.059 0.091 0.000 1.372 367 L HN -0.064 nan 8.230 nan 0.000 0.409 368 V N 1.048 120.910 119.914 -0.086 0.000 2.328 368 V HA 0.479 4.600 4.120 0.002 0.000 0.278 368 V C -0.063 175.989 176.094 -0.070 0.000 1.021 368 V CA -0.512 61.674 62.300 -0.189 0.000 0.838 368 V CB 0.947 32.639 31.823 -0.218 0.000 0.999 368 V HN 0.440 nan 8.190 nan 0.000 0.447 369 I N 4.144 124.680 120.570 -0.057 0.000 2.342 369 I HA 0.370 4.542 4.170 0.002 0.000 0.291 369 I C 0.322 176.410 176.117 -0.048 0.000 1.010 369 I CA 0.119 61.390 61.300 -0.048 0.000 1.308 369 I CB 1.091 39.071 38.000 -0.033 0.000 1.400 369 I HN 0.618 nan 8.210 nan 0.000 0.488 370 Q N 5.896 125.664 119.800 -0.054 0.000 2.357 370 Q HA 0.614 4.955 4.340 0.002 0.000 0.266 370 Q C -0.885 175.077 176.000 -0.064 0.000 1.021 370 Q CA -0.497 55.271 55.803 -0.058 0.000 0.784 370 Q CB 1.858 30.551 28.738 -0.075 0.000 1.243 370 Q HN 0.827 nan 8.270 nan 0.000 0.465 371 A N 3.358 126.149 122.820 -0.048 0.000 2.992 371 A HA 0.400 4.722 4.320 0.002 0.000 0.263 371 A C 1.052 178.622 177.584 -0.023 0.000 0.928 371 A CA 0.191 52.210 52.037 -0.030 0.000 1.061 371 A CB 0.168 19.160 19.000 -0.013 0.000 1.173 371 A HN 0.888 nan 8.150 nan 0.000 0.482 372 G N 1.198 109.976 108.800 -0.037 0.000 2.759 372 G HA2 -0.279 3.683 3.960 0.002 0.000 0.224 372 G HA3 -0.279 3.683 3.960 0.002 0.000 0.224 372 G C 1.524 176.414 174.900 -0.016 0.000 1.173 372 G CA 1.737 46.816 45.100 -0.036 0.000 0.770 372 G HN 1.049 nan 8.290 nan 0.000 0.626 373 G N 0.755 109.556 108.800 0.002 0.000 2.806 373 G HA2 0.002 3.963 3.960 0.002 0.000 0.214 373 G HA3 0.002 3.963 3.960 0.002 0.000 0.214 373 G C 1.918 176.838 174.900 0.034 0.000 1.331 373 G CA 1.656 46.767 45.100 0.018 0.000 0.807 373 G HN 1.066 nan 8.290 nan 0.000 0.644 374 G N -0.560 108.283 108.800 0.072 0.000 2.605 374 G HA2 -0.114 3.848 3.960 0.002 0.000 0.222 374 G HA3 -0.114 3.848 3.960 0.002 0.000 0.222 374 G C 1.526 176.476 174.900 0.082 0.000 1.092 374 G CA 1.685 46.852 45.100 0.112 0.000 0.730 374 G HN 0.454 nan 8.290 nan 0.000 0.588 375 V N 0.137 120.073 119.914 0.037 0.000 2.581 375 V HA 0.074 4.195 4.120 0.002 0.000 0.240 375 V C 2.707 178.808 176.094 0.011 0.000 1.054 375 V CA 0.984 63.292 62.300 0.012 0.000 1.076 375 V CB -0.196 31.605 31.823 -0.037 0.000 0.748 375 V HN 0.197 nan 8.190 nan 0.000 0.474 376 M N 1.107 120.705 119.600 -0.004 0.000 2.279 376 M HA -0.027 4.455 4.480 0.002 0.000 0.264 376 M C 2.207 178.523 176.300 0.026 0.000 1.062 376 M CA 1.842 57.143 55.300 0.002 0.000 1.099 376 M CB -1.409 31.194 32.600 0.005 0.000 1.394 376 M HN 0.484 nan 8.290 nan 0.000 0.426 377 G N -1.246 107.570 108.800 0.027 0.000 2.484 377 G HA2 -0.152 3.810 3.960 0.002 0.000 0.218 377 G HA3 -0.152 3.810 3.960 0.002 0.000 0.218 377 G C 0.728 175.648 174.900 0.034 0.000 1.130 377 G CA 0.014 45.122 45.100 0.014 0.000 0.784 377 G HN 0.467 nan 8.290 nan 0.000 0.543 378 H N 2.033 121.084 119.070 -0.032 0.000 3.064 378 H HA -0.002 4.555 4.556 0.002 0.000 0.329 378 H C -0.888 174.423 175.328 -0.029 0.000 1.020 378 H CA -0.649 55.381 56.048 -0.031 0.000 1.402 378 H CB 1.699 31.445 29.762 -0.026 0.000 1.379 378 H HN 0.077 nan 8.280 nan 0.000 0.594 379 P HA -0.142 nan 4.420 nan 0.000 0.218 379 P C 0.638 177.901 177.300 -0.061 0.000 1.148 379 P CA 1.070 64.056 63.100 -0.190 0.000 0.822 379 P CB 0.450 31.965 31.700 -0.308 0.000 0.784 380 D N -0.504 119.940 120.400 0.073 0.000 2.340 380 D HA 0.231 4.873 4.640 0.002 0.000 0.220 380 D C 1.231 177.653 176.300 0.203 0.000 1.039 380 D CA 0.844 54.994 54.000 0.250 0.000 0.866 380 D CB 0.155 41.221 40.800 0.442 0.000 0.913 380 D HN 0.216 nan 8.370 nan 0.000 0.523 381 G N 0.910 109.826 108.800 0.193 0.000 2.555 381 G HA2 -0.151 3.810 3.960 0.002 0.000 0.686 381 G HA3 -0.151 3.810 3.960 0.002 0.000 0.686 381 G C -2.055 172.870 174.900 0.041 0.000 1.275 381 G CA -0.351 44.796 45.100 0.079 0.000 0.871 381 G HN -0.153 nan 8.290 nan 0.000 0.603 382 P HA -0.135 nan 4.420 nan 0.000 0.218 382 P C 1.513 178.744 177.300 -0.115 0.000 1.149 382 P CA 1.369 64.433 63.100 -0.061 0.000 0.817 382 P CB 0.057 31.706 31.700 -0.084 0.000 0.785 383 R N 0.297 120.732 120.500 -0.108 0.000 2.189 383 R HA 0.044 4.385 4.340 0.002 0.000 0.218 383 R C 1.904 178.098 176.300 -0.175 0.000 1.074 383 R CA 1.107 57.122 56.100 -0.141 0.000 0.991 383 R CB -0.451 29.775 30.300 -0.124 0.000 0.883 383 R HN 0.080 nan 8.270 nan 0.000 0.457 384 A N -0.304 122.376 122.820 -0.234 0.000 2.178 384 A HA 0.150 4.471 4.320 0.002 0.000 0.211 384 A C 2.007 179.223 177.584 -0.614 0.000 1.157 384 A CA 0.662 52.479 52.037 -0.368 0.000 0.780 384 A CB -0.132 18.660 19.000 -0.345 0.000 0.828 384 A HN 0.476 nan 8.150 nan 0.000 0.476 385 G N -0.402 108.107 108.800 -0.484 0.000 2.448 385 G HA2 0.109 4.070 3.960 0.002 0.000 0.218 385 G HA3 0.109 4.070 3.960 0.002 0.000 0.218 385 G C 1.519 176.317 174.900 -0.169 0.000 1.135 385 G CA 1.128 46.045 45.100 -0.305 0.000 0.784 385 G HN 0.638 nan 8.290 nan 0.000 0.543 386 A N 0.590 123.310 122.820 -0.166 0.000 1.903 386 A HA 0.216 4.537 4.320 0.002 0.000 0.213 386 A C 2.170 179.688 177.584 -0.110 0.000 1.185 386 A CA 1.802 53.768 52.037 -0.119 0.000 0.628 386 A CB -0.261 18.664 19.000 -0.125 0.000 0.830 386 A HN 0.271 nan 8.150 nan 0.000 0.446 387 K N 0.257 120.575 120.400 -0.137 0.000 2.113 387 K HA -0.101 4.220 4.320 0.002 0.000 0.208 387 K C 2.004 178.560 176.600 -0.073 0.000 1.047 387 K CA 1.311 57.541 56.287 -0.096 0.000 0.928 387 K CB -0.421 32.020 32.500 -0.098 0.000 0.716 387 K HN 0.434 nan 8.250 nan 0.000 0.446 388 A N 0.909 123.666 122.820 -0.105 0.000 1.844 388 A HA -0.230 4.092 4.320 0.002 0.000 0.214 388 A C 1.912 179.495 177.584 -0.002 0.000 1.217 388 A CA 1.858 53.874 52.037 -0.036 0.000 0.644 388 A CB -1.236 17.759 19.000 -0.010 0.000 0.850 388 A HN 0.346 nan 8.150 nan 0.000 0.456 389 L N -0.802 120.420 121.223 -0.001 0.000 2.302 389 L HA -0.224 4.118 4.340 0.002 0.000 0.218 389 L C 2.323 179.193 176.870 0.001 0.000 1.100 389 L CA 2.026 56.871 54.840 0.008 0.000 0.774 389 L CB -0.703 41.354 42.059 -0.005 0.000 0.896 389 L HN 0.320 nan 8.230 nan 0.000 0.439 390 R N -0.417 120.078 120.500 -0.009 0.000 2.075 390 R HA -0.033 4.309 4.340 0.002 0.000 0.226 390 R C 1.918 178.222 176.300 0.007 0.000 1.114 390 R CA 1.346 57.445 56.100 -0.003 0.000 0.972 390 R CB -0.765 29.529 30.300 -0.009 0.000 0.869 390 R HN 0.441 nan 8.270 nan 0.000 0.437 391 D N 0.342 120.745 120.400 0.006 0.000 2.149 391 D HA -0.016 4.626 4.640 0.002 0.000 0.201 391 D C 1.690 178.002 176.300 0.021 0.000 0.972 391 D CA 1.203 55.211 54.000 0.013 0.000 0.835 391 D CB -0.054 40.753 40.800 0.011 0.000 0.966 391 D HN 0.129 nan 8.370 nan 0.000 0.476 392 A N 0.912 123.746 122.820 0.024 0.000 1.902 392 A HA -0.142 4.180 4.320 0.002 0.000 0.217 392 A C 2.316 179.916 177.584 0.027 0.000 1.181 392 A CA 1.024 53.079 52.037 0.031 0.000 0.623 392 A CB -0.624 18.400 19.000 0.040 0.000 0.818 392 A HN 0.206 nan 8.150 nan 0.000 0.443 393 I N -0.547 120.037 120.570 0.024 0.000 2.333 393 I HA -0.145 4.027 4.170 0.002 0.000 0.246 393 I C 1.849 177.984 176.117 0.030 0.000 1.106 393 I CA 1.015 62.332 61.300 0.028 0.000 1.411 393 I CB -0.600 37.417 38.000 0.027 0.000 1.082 393 I HN 0.212 nan 8.210 nan 0.000 0.420 394 D N 1.877 122.293 120.400 0.027 0.000 2.108 394 D HA -0.218 4.423 4.640 0.002 0.000 0.190 394 D C 2.308 178.625 176.300 0.028 0.000 0.995 394 D CA 1.982 55.999 54.000 0.027 0.000 0.834 394 D CB -0.342 40.472 40.800 0.023 0.000 0.967 394 D HN 0.335 nan 8.370 nan 0.000 0.446 395 A N 1.336 124.172 122.820 0.025 0.000 1.948 395 A HA -0.175 4.146 4.320 0.002 0.000 0.220 395 A C 2.342 179.943 177.584 0.028 0.000 1.177 395 A CA 2.829 54.881 52.037 0.025 0.000 0.636 395 A CB -0.811 18.204 19.000 0.025 0.000 0.815 395 A HN 0.288 nan 8.150 nan 0.000 0.449 396 A N -0.003 122.835 122.820 0.031 0.000 1.851 396 A HA -0.126 4.196 4.320 0.002 0.000 0.216 396 A C 2.149 179.754 177.584 0.035 0.000 1.195 396 A CA 1.558 53.615 52.037 0.033 0.000 0.622 396 A CB -0.689 18.334 19.000 0.038 0.000 0.831 396 A HN 0.486 nan 8.150 nan 0.000 0.444 397 I N 0.041 120.634 120.570 0.038 0.000 2.145 397 I HA -0.293 3.878 4.170 0.002 0.000 0.244 397 I C 1.841 177.978 176.117 0.033 0.000 1.075 397 I CA 1.997 63.320 61.300 0.039 0.000 1.332 397 I CB -0.602 37.423 38.000 0.042 0.000 1.033 397 I HN 0.491 nan 8.210 nan 0.000 0.410 398 E N 0.330 120.548 120.200 0.030 0.000 2.485 398 E HA 0.082 4.433 4.350 0.002 0.000 0.194 398 E C 1.424 178.038 176.600 0.023 0.000 1.098 398 E CA 0.552 56.967 56.400 0.026 0.000 0.878 398 E CB -0.017 29.697 29.700 0.024 0.000 0.939 398 E HN 0.652 nan 8.360 nan 0.000 0.503 399 G N 0.629 109.443 108.800 0.024 0.000 2.640 399 G HA2 -0.371 3.591 3.960 0.002 0.000 0.226 399 G HA3 -0.371 3.591 3.960 0.002 0.000 0.226 399 G C 0.606 175.518 174.900 0.021 0.000 1.222 399 G CA -0.009 45.104 45.100 0.022 0.000 0.729 399 G HN 0.227 nan 8.290 nan 0.000 0.516 400 V N 2.978 122.904 119.914 0.020 0.000 2.839 400 V HA 0.036 4.158 4.120 0.002 0.000 0.296 400 V C 0.997 177.104 176.094 0.020 0.000 1.239 400 V CA 0.734 63.046 62.300 0.019 0.000 1.349 400 V CB 0.466 32.301 31.823 0.019 0.000 0.852 400 V HN 0.561 nan 8.190 nan 0.000 0.504 401 D N 3.452 123.863 120.400 0.019 0.000 2.450 401 D HA 0.021 4.663 4.640 0.002 0.000 0.247 401 D C 1.138 177.451 176.300 0.022 0.000 1.162 401 D CA -0.054 53.958 54.000 0.019 0.000 0.879 401 D CB 0.935 41.745 40.800 0.017 0.000 1.163 401 D HN 0.570 nan 8.370 nan 0.000 0.472 402 L N 3.339 124.577 121.223 0.024 0.000 2.189 402 L HA -0.204 4.138 4.340 0.002 0.000 0.214 402 L C 1.634 178.521 176.870 0.028 0.000 1.097 402 L CA 1.139 55.996 54.840 0.029 0.000 0.764 402 L CB -0.046 42.033 42.059 0.033 0.000 0.900 402 L HN 0.467 nan 8.230 nan 0.000 0.436 403 D N -1.017 119.397 120.400 0.024 0.000 2.347 403 D HA -0.087 4.554 4.640 0.002 0.000 0.213 403 D C 1.939 178.251 176.300 0.019 0.000 0.985 403 D CA 0.530 54.543 54.000 0.022 0.000 0.879 403 D CB 0.386 41.197 40.800 0.019 0.000 0.919 403 D HN 0.323 nan 8.370 nan 0.000 0.526 404 E N 0.510 120.722 120.200 0.019 0.000 2.099 404 E HA -0.058 4.293 4.350 0.002 0.000 0.191 404 E C 1.898 178.509 176.600 0.019 0.000 0.962 404 E CA 0.386 56.796 56.400 0.017 0.000 0.826 404 E CB -0.147 29.563 29.700 0.016 0.000 0.788 404 E HN -0.016 nan 8.360 nan 0.000 0.461 405 K N 1.833 122.246 120.400 0.021 0.000 2.089 405 K HA -0.103 4.218 4.320 0.002 0.000 0.210 405 K C 1.859 178.472 176.600 0.023 0.000 1.048 405 K CA 1.592 57.892 56.287 0.022 0.000 0.926 405 K CB -0.621 31.894 32.500 0.025 0.000 0.714 405 K HN 0.088 nan 8.250 nan 0.000 0.448 406 A N 0.566 123.401 122.820 0.025 0.000 2.019 406 A HA -0.160 4.161 4.320 0.002 0.000 0.219 406 A C 1.801 179.399 177.584 0.023 0.000 1.164 406 A CA 1.654 53.707 52.037 0.028 0.000 0.644 406 A CB -0.396 18.622 19.000 0.029 0.000 0.805 406 A HN 0.376 nan 8.150 nan 0.000 0.449 407 K N 0.073 120.484 120.400 0.020 0.000 2.365 407 K HA -0.061 4.260 4.320 0.002 0.000 0.199 407 K C 1.749 178.359 176.600 0.016 0.000 1.045 407 K CA 1.401 57.698 56.287 0.016 0.000 0.962 407 K CB -0.005 32.504 32.500 0.015 0.000 0.759 407 K HN 0.682 nan 8.250 nan 0.000 0.469 408 S N -1.149 114.561 115.700 0.017 0.000 2.575 408 S HA 0.056 4.528 4.470 0.002 0.000 0.230 408 S C 0.919 175.529 174.600 0.016 0.000 1.062 408 S CA -0.508 57.701 58.200 0.015 0.000 0.913 408 S CB 0.662 63.871 63.200 0.014 0.000 0.837 408 S HN -0.025 nan 8.310 nan 0.000 0.487 409 S N 4.008 119.719 115.700 0.019 0.000 2.512 409 S HA 0.392 4.863 4.470 0.002 0.000 0.291 409 S C -1.576 173.042 174.600 0.030 0.000 1.151 409 S CA -1.935 56.277 58.200 0.020 0.000 1.120 409 S CB 0.987 64.199 63.200 0.019 0.000 1.029 409 S HN 0.188 nan 8.310 nan 0.000 0.485 410 P HA -0.161 nan 4.420 nan 0.000 0.214 410 P C 0.685 178.031 177.300 0.076 0.000 1.163 410 P CA 1.405 64.530 63.100 0.042 0.000 0.883 410 P CB 0.169 31.889 31.700 0.032 0.000 0.788 411 E N -0.345 119.898 120.200 0.071 0.000 2.265 411 E HA -0.117 4.235 4.350 0.002 0.000 0.196 411 E C 2.052 178.754 176.600 0.170 0.000 0.996 411 E CA 0.466 56.947 56.400 0.134 0.000 0.832 411 E CB -0.989 28.642 29.700 -0.115 0.000 0.756 411 E HN 0.185 nan 8.360 nan 0.000 0.491 412 L N 1.011 122.283 121.223 0.083 0.000 2.007 412 L HA -0.061 4.280 4.340 0.002 0.000 0.205 412 L C 2.008 178.931 176.870 0.088 0.000 1.073 412 L CA 1.834 56.723 54.840 0.082 0.000 0.744 412 L CB -0.464 41.625 42.059 0.050 0.000 0.898 412 L HN -0.083 nan 8.230 nan 0.000 0.435 413 K N 0.177 120.616 120.400 0.065 0.000 1.981 413 K HA -0.340 3.982 4.320 0.002 0.000 0.228 413 K C 2.193 178.816 176.600 0.038 0.000 1.050 413 K CA 2.532 58.846 56.287 0.044 0.000 1.001 413 K CB -0.462 32.059 32.500 0.034 0.000 0.738 413 K HN 0.231 nan 8.250 nan 0.000 0.447 414 K N -0.049 120.375 120.400 0.039 0.000 2.588 414 K HA -0.153 4.168 4.320 0.002 0.000 0.196 414 K C 1.615 178.171 176.600 -0.074 0.000 1.044 414 K CA 1.454 57.734 56.287 -0.011 0.000 0.934 414 K CB -0.105 32.392 32.500 -0.005 0.000 0.773 414 K HN 0.152 nan 8.250 nan 0.000 0.489 415 S N -0.898 114.807 115.700 0.008 0.000 2.506 415 S HA 0.192 4.664 4.470 0.002 0.000 0.219 415 S C 1.384 175.985 174.600 0.002 0.000 1.031 415 S CA -0.391 57.811 58.200 0.003 0.000 0.911 415 S CB 0.224 63.550 63.200 0.209 0.000 0.812 415 S HN 0.268 nan 8.310 nan 0.000 0.497 416 L N 0.967 122.206 121.223 0.026 0.000 2.117 416 L HA 0.245 4.587 4.340 0.002 0.000 0.200 416 L C 2.756 179.627 176.870 0.001 0.000 1.110 416 L CA 0.740 55.602 54.840 0.037 0.000 0.774 416 L CB -0.698 41.388 42.059 0.045 0.000 0.934 416 L HN 0.219 nan 8.230 nan 0.000 0.456 417 R N 0.327 120.824 120.500 -0.005 0.000 2.134 417 R HA -0.253 4.088 4.340 0.002 0.000 0.248 417 R C 2.159 178.435 176.300 -0.040 0.000 1.143 417 R CA 2.011 58.100 56.100 -0.018 0.000 0.957 417 R CB -0.217 30.073 30.300 -0.017 0.000 0.867 417 R HN 0.316 nan 8.270 nan 0.000 0.441 418 E N 0.096 120.256 120.200 -0.067 0.000 2.047 418 E HA -0.104 4.247 4.350 0.002 0.000 0.191 418 E C 1.935 178.476 176.600 -0.099 0.000 0.987 418 E CA 1.316 57.660 56.400 -0.095 0.000 0.799 418 E CB -0.047 29.564 29.700 -0.148 0.000 0.752 418 E HN 0.250 nan 8.360 nan 0.000 0.449 419 V N 0.625 120.469 119.914 -0.116 0.000 3.186 419 V HA -0.153 3.968 4.120 0.002 0.000 0.270 419 V C 2.165 178.209 176.094 -0.082 0.000 1.149 419 V CA 1.377 63.581 62.300 -0.160 0.000 1.160 419 V CB -0.836 30.802 31.823 -0.308 0.000 0.758 419 V HN 0.256 nan 8.190 nan 0.000 0.516 420 G N 0.220 108.990 108.800 -0.049 0.000 2.404 420 G HA2 -0.118 3.843 3.960 0.002 0.000 0.214 420 G HA3 -0.118 3.843 3.960 0.002 0.000 0.214 420 G C 1.265 176.147 174.900 -0.030 0.000 1.189 420 G CA 0.177 45.262 45.100 -0.025 0.000 0.789 420 G HN 0.493 nan 8.290 nan 0.000 0.533 421 L N 1.501 122.699 121.223 -0.041 0.000 2.784 421 L HA 0.060 4.402 4.340 0.002 0.000 0.247 421 L C 1.888 178.732 176.870 -0.043 0.000 1.162 421 L CA 0.224 55.041 54.840 -0.040 0.000 0.881 421 L CB -0.041 41.991 42.059 -0.045 0.000 1.032 421 L HN 0.206 nan 8.230 nan 0.000 0.446 422 S N -1.427 114.245 115.700 -0.046 0.000 2.619 422 S HA 0.081 4.553 4.470 0.002 0.000 0.238 422 S C 0.525 175.107 174.600 -0.030 0.000 1.068 422 S CA -0.263 57.910 58.200 -0.045 0.000 0.926 422 S CB 0.583 63.744 63.200 -0.065 0.000 0.864 422 S HN 0.422 nan 8.310 nan 0.000 0.493 423 K N 1.354 121.742 120.400 -0.021 0.000 2.159 423 K HA 0.856 5.178 4.320 0.002 0.000 0.266 423 K C -0.581 176.015 176.600 -0.007 0.000 0.975 423 K CA -0.691 55.592 56.287 -0.007 0.000 0.865 423 K CB 1.791 34.295 32.500 0.006 0.000 1.087 423 K HN 0.091 nan 8.250 nan 0.000 0.446 424 A N 0.000 122.817 122.820 -0.005 0.000 2.254 424 A HA 0.000 4.321 4.320 0.002 0.000 0.244 424 A CA 0.000 52.034 52.037 -0.004 0.000 0.836 424 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 424 A HN 0.000 nan 8.150 nan 0.000 0.486