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 2hqs_1_A DATA FIRST_RESID 24 DATA SEQUENCE VRIVIDSGVD SGRPIGVVPF QWAGPGAAPE DIGGIVAADL RNSGKFNPLD DATA SEQUENCE RARLPQQPGS AQEVQPAAWS ALGIDAVVVG QVTPNPDGSY NVAYQLVDTG DATA SEQUENCE GAPGTVLAQN SYKVNKQWLR YAGHTASDEV FEKLTGIKGA FRTRIAYVVQ DATA SEQUENCE TNGGQFPYEL RVSDYDGYNQ FVVHRSPQPL MSPAWSPDGS KLAYVTFESG DATA SEQUENCE RSALVIQTLA NGAVRQVASF PRHNGAPAFS PDGSKLAFAL SKTGSLNLYV DATA SEQUENCE MDLASGQIRQ VTDGRSNNTE PTWFPDSQNL AFTSDQAGRP QVYKVNINGG DATA SEQUENCE APQRITWEGS QNQDADVSSD GKFMVMVSSN GGQQHIAKQD LATGGVQVLS DATA SEQUENCE STFLDETPSL APNGTMVIYS SSQGMGSVLN LVSTDGRFKA RLPATDGQVK DATA SEQUENCE FPAWSPYLHX XXHHH 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 24 V HA 0.000 nan 4.120 nan 0.000 0.244 24 V C 0.000 175.930 176.094 -0.274 0.000 1.182 24 V CA 0.000 62.149 62.300 -0.251 0.000 1.235 24 V CB 0.000 31.599 31.823 -0.374 0.000 1.184 25 R N 0.828 121.183 120.500 -0.242 0.000 2.739 25 R HA 0.679 5.205 4.340 0.310 0.000 0.271 25 R C -1.253 174.954 176.300 -0.154 0.000 1.010 25 R CA -0.768 55.191 56.100 -0.235 0.000 0.897 25 R CB 2.146 32.315 30.300 -0.218 0.000 1.236 25 R HN 0.917 nan 8.270 nan 0.000 0.466 26 I N 1.655 122.164 120.570 -0.102 0.000 2.416 26 I HA 0.217 4.573 4.170 0.310 0.000 0.288 26 I C -0.047 176.066 176.117 -0.006 0.000 1.051 26 I CA -0.548 60.732 61.300 -0.032 0.000 1.375 26 I CB 1.173 39.197 38.000 0.040 0.000 1.407 26 I HN 0.016 nan 8.210 nan 0.000 0.516 27 V N 7.820 127.725 119.914 -0.015 0.000 2.444 27 V HA 0.400 4.706 4.120 0.310 0.000 0.294 27 V C 0.100 176.181 176.094 -0.021 0.000 1.022 27 V CA -0.550 61.742 62.300 -0.013 0.000 0.850 27 V CB 1.741 33.542 31.823 -0.037 0.000 0.992 27 V HN 0.467 nan 8.190 nan 0.000 0.426 28 I N 3.858 124.425 120.570 -0.006 0.000 2.395 28 I HA 0.295 4.651 4.170 0.310 0.000 0.289 28 I C 0.651 176.701 176.117 -0.113 0.000 1.023 28 I CA -0.068 61.182 61.300 -0.083 0.000 1.350 28 I CB 1.219 39.228 38.000 0.015 0.000 1.409 28 I HN 0.605 nan 8.210 nan 0.000 0.507 29 D N 2.806 123.092 120.400 -0.190 0.000 2.394 29 D HA 0.064 4.890 4.640 0.310 0.000 0.226 29 D C 0.259 176.485 176.300 -0.123 0.000 0.990 29 D CA 0.804 54.727 54.000 -0.129 0.000 0.902 29 D CB 0.576 41.308 40.800 -0.113 0.000 1.038 29 D HN 0.618 nan 8.370 nan 0.000 0.499 30 S N -2.634 112.945 115.700 -0.201 0.000 2.552 30 S HA 0.537 5.193 4.470 0.310 0.000 0.272 30 S C 0.472 174.987 174.600 -0.142 0.000 1.150 30 S CA -0.124 58.002 58.200 -0.123 0.000 0.849 30 S CB 2.102 65.258 63.200 -0.074 0.000 1.113 30 S HN 0.207 nan 8.310 nan 0.000 0.458 31 G N -0.180 108.632 108.800 0.020 0.000 2.229 31 G HA2 -0.201 3.945 3.960 0.310 0.000 0.189 31 G HA3 -0.201 3.945 3.960 0.310 0.000 0.189 31 G C 0.546 175.594 174.900 0.247 0.000 1.000 31 G CA 0.170 45.365 45.100 0.158 0.000 0.663 31 G HN 1.245 nan 8.290 nan 0.000 0.493 32 V N 1.342 121.387 119.914 0.219 0.000 2.407 32 V HA -0.007 4.299 4.120 0.310 0.000 0.245 32 V C 2.420 178.601 176.094 0.144 0.000 1.041 32 V CA 2.697 65.130 62.300 0.223 0.000 1.040 32 V CB -0.305 31.648 31.823 0.216 0.000 0.671 32 V HN 0.545 nan 8.190 nan 0.000 0.455 33 D N 0.185 120.649 120.400 0.107 0.000 2.203 33 D HA -0.255 4.571 4.640 0.310 0.000 0.199 33 D C 2.114 178.454 176.300 0.068 0.000 0.997 33 D CA 1.828 55.876 54.000 0.079 0.000 0.863 33 D CB -0.148 40.687 40.800 0.060 0.000 0.928 33 D HN 0.353 nan 8.370 nan 0.000 0.458 34 S N -1.229 114.512 115.700 0.068 0.000 2.562 34 S HA 0.222 4.878 4.470 0.310 0.000 0.221 34 S C 1.012 175.630 174.600 0.029 0.000 0.975 34 S CA 0.293 58.520 58.200 0.045 0.000 0.918 34 S CB -0.451 62.775 63.200 0.043 0.000 0.772 34 S HN 0.436 nan 8.310 nan 0.000 0.531 35 G N 1.010 109.839 108.800 0.047 0.000 2.606 35 G HA2 0.271 4.417 3.960 0.310 0.000 0.252 35 G HA3 0.271 4.417 3.960 0.310 0.000 0.252 35 G C -0.333 174.555 174.900 -0.021 0.000 1.206 35 G CA -0.729 44.375 45.100 0.006 0.000 0.861 35 G HN 0.546 nan 8.290 nan 0.000 0.561 36 R N 1.615 122.031 120.500 -0.140 0.000 2.446 36 R HA 0.130 4.656 4.340 0.310 0.000 0.314 36 R C -2.243 174.106 176.300 0.081 0.000 1.003 36 R CA -0.893 55.142 56.100 -0.109 0.000 1.018 36 R CB 0.116 30.201 30.300 -0.359 0.000 0.945 36 R HN 0.159 nan 8.270 nan 0.000 0.419 37 P HA 0.045 nan 4.420 nan 0.000 0.268 37 P C -0.748 176.677 177.300 0.208 0.000 1.204 37 P CA 0.185 63.381 63.100 0.160 0.000 0.768 37 P CB 0.645 32.426 31.700 0.134 0.000 0.842 38 I N 1.346 122.047 120.570 0.219 0.000 2.827 38 I HA 0.610 4.966 4.170 0.310 0.000 0.298 38 I C -0.546 175.640 176.117 0.115 0.000 1.235 38 I CA -0.846 60.553 61.300 0.164 0.000 1.021 38 I CB 2.134 40.241 38.000 0.179 0.000 1.259 38 I HN 0.389 nan 8.210 nan 0.000 0.427 39 G N 5.802 114.590 108.800 -0.021 0.000 2.319 39 G HA2 0.570 4.715 3.960 0.310 0.000 0.308 39 G HA3 0.570 4.715 3.960 0.310 0.000 0.308 39 G C -1.319 173.503 174.900 -0.129 0.000 1.117 39 G CA -0.303 44.745 45.100 -0.087 0.000 0.903 39 G HN 0.373 nan 8.290 nan 0.000 0.436 40 V N 3.670 123.591 119.914 0.012 0.000 2.376 40 V HA 0.291 4.597 4.120 0.310 0.000 0.287 40 V C 0.027 176.185 176.094 0.107 0.000 1.015 40 V CA -0.699 61.619 62.300 0.030 0.000 0.834 40 V CB 1.417 33.248 31.823 0.013 0.000 1.001 40 V HN 0.544 nan 8.190 nan 0.000 0.428 41 V N 7.167 127.164 119.914 0.137 0.000 2.567 41 V HA 0.374 4.680 4.120 0.310 0.000 0.289 41 V C -2.131 174.122 176.094 0.266 0.000 1.049 41 V CA -2.117 60.297 62.300 0.190 0.000 0.969 41 V CB 1.727 33.642 31.823 0.154 0.000 0.995 41 V HN 0.698 nan 8.190 nan 0.000 0.471 42 P HA 0.044 nan 4.420 nan 0.000 0.264 42 P C -0.429 177.093 177.300 0.371 0.000 1.183 42 P CA 0.317 63.554 63.100 0.229 0.000 0.763 42 P CB 0.132 31.920 31.700 0.147 0.000 0.807 43 F N 1.097 121.079 119.950 0.053 0.000 2.471 43 F HA 0.092 4.805 4.527 0.311 0.000 0.353 43 F C 1.685 177.556 175.800 0.118 0.000 1.113 43 F CA -0.643 57.404 58.000 0.078 0.000 1.262 43 F CB 0.553 39.597 39.000 0.074 0.000 1.146 43 F HN 0.287 nan 8.300 nan 0.000 0.578 44 Q N 4.431 124.370 119.800 0.233 0.000 2.364 44 Q HA -0.024 4.502 4.340 0.310 0.000 0.267 44 Q C -1.066 175.131 176.000 0.328 0.000 0.999 44 Q CA -0.130 55.794 55.803 0.203 0.000 0.886 44 Q CB 0.886 29.679 28.738 0.093 0.000 1.243 44 Q HN 0.732 nan 8.270 nan 0.000 0.415 45 W N 3.908 125.262 121.300 0.091 0.000 2.475 45 W HA 0.583 5.430 4.660 0.311 0.000 0.320 45 W C -1.402 175.165 176.519 0.080 0.000 1.022 45 W CA -1.021 56.380 57.345 0.095 0.000 1.240 45 W CB 1.234 30.745 29.460 0.085 0.000 1.328 45 W HN 0.766 nan 8.180 nan 0.000 0.439 46 A N 5.130 127.698 122.820 -0.420 0.000 3.077 46 A HA 0.560 5.066 4.320 0.310 0.000 0.255 46 A C 0.218 177.111 177.584 -1.151 0.000 1.728 46 A CA 0.548 52.224 52.037 -0.602 0.000 1.383 46 A CB -0.832 17.997 19.000 -0.286 0.000 1.097 46 A HN 0.843 nan 8.150 nan 0.000 0.634 47 G N 0.500 108.428 108.800 -1.453 0.000 2.495 47 G HA2 0.597 4.743 3.960 0.310 0.000 0.294 47 G HA3 0.597 4.743 3.960 0.310 0.000 0.294 47 G C -3.424 171.216 174.900 -0.433 0.000 1.397 47 G CA -0.737 43.761 45.100 -1.004 0.000 0.790 47 G HN 0.160 nan 8.290 nan 0.000 0.486 48 P HA 0.519 nan 4.420 nan 0.000 0.276 48 P C 0.965 178.459 177.300 0.324 0.000 1.244 48 P CA 1.194 64.363 63.100 0.114 0.000 0.801 48 P CB 1.141 32.894 31.700 0.089 0.000 1.006 49 G N 1.034 109.978 108.800 0.241 0.000 2.575 49 G HA2 -0.040 4.106 3.960 0.310 0.000 0.267 49 G HA3 -0.040 4.106 3.960 0.310 0.000 0.267 49 G C -0.080 174.994 174.900 0.289 0.000 1.264 49 G CA -0.056 45.179 45.100 0.225 0.000 0.935 49 G HN 0.797 nan 8.290 nan 0.000 0.568 50 A N -0.169 122.728 122.820 0.127 0.000 2.340 50 A HA 0.855 5.361 4.320 0.310 0.000 0.268 50 A C 1.013 178.380 177.584 -0.362 0.000 1.100 50 A CA 1.122 53.141 52.037 -0.030 0.000 0.803 50 A CB 0.410 19.372 19.000 -0.064 0.000 1.043 50 A HN 2.540 nan 8.150 nan 0.000 0.488 51 A N 3.150 125.556 122.820 -0.690 0.000 2.507 51 A HA 0.449 4.955 4.320 0.310 0.000 0.235 51 A C -0.706 176.410 177.584 -0.780 0.000 1.070 51 A CA -0.509 50.763 52.037 -1.276 0.000 0.768 51 A CB -0.329 18.218 19.000 -0.754 0.000 1.011 51 A HN 0.709 nan 8.150 nan 0.000 0.502 52 P HA -0.046 nan 4.420 nan 0.000 0.222 52 P C 0.178 177.235 177.300 -0.405 0.000 1.147 52 P CA 1.437 64.212 63.100 -0.541 0.000 0.790 52 P CB 0.278 31.560 31.700 -0.698 0.000 0.780 53 E N -0.743 119.201 120.200 -0.427 0.000 2.392 53 E HA 0.263 4.799 4.350 0.310 0.000 0.279 53 E C -1.723 174.696 176.600 -0.302 0.000 0.964 53 E CA -0.741 55.471 56.400 -0.313 0.000 0.777 53 E CB 0.839 30.363 29.700 -0.294 0.000 1.249 53 E HN -0.335 nan 8.360 nan 0.000 0.449 54 D N 4.767 125.011 120.400 -0.260 0.000 2.494 54 D HA 0.147 4.973 4.640 0.310 0.000 0.217 54 D C 0.921 177.026 176.300 -0.326 0.000 1.153 54 D CA -0.170 53.685 54.000 -0.242 0.000 0.954 54 D CB 0.105 40.798 40.800 -0.178 0.000 1.034 54 D HN 0.410 nan 8.370 nan 0.000 0.518 55 I N 2.067 122.383 120.570 -0.423 0.000 2.252 55 I HA -0.106 4.250 4.170 0.310 0.000 0.245 55 I C 2.355 177.996 176.117 -0.794 0.000 1.102 55 I CA 0.878 61.799 61.300 -0.630 0.000 1.385 55 I CB -1.287 36.260 38.000 -0.755 0.000 1.064 55 I HN 0.406 nan 8.210 nan 0.000 0.414 56 G N 0.860 109.163 108.800 -0.829 0.000 2.442 56 G HA2 -0.209 3.937 3.960 0.310 0.000 0.219 56 G HA3 -0.209 3.937 3.960 0.310 0.000 0.219 56 G C 1.746 176.492 174.900 -0.256 0.000 1.141 56 G CA 0.924 45.745 45.100 -0.464 0.000 0.763 56 G HN 0.484 nan 8.290 nan 0.000 0.554 57 G N 0.866 109.530 108.800 -0.226 0.000 2.422 57 G HA2 -0.128 4.018 3.960 0.310 0.000 0.218 57 G HA3 -0.128 4.018 3.960 0.310 0.000 0.218 57 G C 1.754 176.540 174.900 -0.191 0.000 1.146 57 G CA 0.755 45.759 45.100 -0.159 0.000 0.769 57 G HN 0.459 nan 8.290 nan 0.000 0.547 58 I N 0.328 120.731 120.570 -0.280 0.000 2.202 58 I HA -0.139 4.217 4.170 0.310 0.000 0.242 58 I C 2.753 178.706 176.117 -0.273 0.000 1.091 58 I CA 0.462 61.582 61.300 -0.300 0.000 1.368 58 I CB -0.274 37.468 38.000 -0.431 0.000 1.058 58 I HN 0.015 nan 8.210 nan 0.000 0.410 59 V N 1.149 120.879 119.914 -0.306 0.000 2.295 59 V HA -0.304 4.002 4.120 0.310 0.000 0.246 59 V C 2.738 178.684 176.094 -0.247 0.000 1.049 59 V CA 2.060 64.184 62.300 -0.293 0.000 1.024 59 V CB -1.073 30.605 31.823 -0.243 0.000 0.648 59 V HN 0.494 nan 8.190 nan 0.000 0.447 60 A N 0.005 122.726 122.820 -0.164 0.000 1.877 60 A HA -0.120 4.386 4.320 0.310 0.000 0.216 60 A C 2.441 179.983 177.584 -0.069 0.000 1.186 60 A CA 2.170 54.152 52.037 -0.092 0.000 0.620 60 A CB -0.854 18.124 19.000 -0.036 0.000 0.822 60 A HN 0.572 nan 8.150 nan 0.000 0.443 61 A N 0.025 122.803 122.820 -0.072 0.000 1.877 61 A HA -0.200 4.306 4.320 0.310 0.000 0.216 61 A C 1.806 179.377 177.584 -0.021 0.000 1.186 61 A CA 1.985 54.015 52.037 -0.012 0.000 0.620 61 A CB -0.671 18.326 19.000 -0.005 0.000 0.822 61 A HN 0.463 nan 8.150 nan 0.000 0.443 62 D N 0.162 120.456 120.400 -0.177 0.000 2.092 62 D HA -0.139 4.687 4.640 0.310 0.000 0.193 62 D C 1.972 178.002 176.300 -0.449 0.000 0.994 62 D CA 1.262 54.972 54.000 -0.483 0.000 0.828 62 D CB -0.447 39.642 40.800 -1.184 0.000 0.963 62 D HN 0.448 nan 8.370 nan 0.000 0.450 63 L N 0.223 121.235 121.223 -0.352 0.000 2.083 63 L HA -0.135 4.391 4.340 0.310 0.000 0.209 63 L C 2.644 179.628 176.870 0.191 0.000 1.083 63 L CA 0.959 55.762 54.840 -0.062 0.000 0.752 63 L CB -0.322 41.574 42.059 -0.272 0.000 0.899 63 L HN -0.012 nan 8.230 nan 0.000 0.433 64 R N 0.339 120.917 120.500 0.130 0.000 2.075 64 R HA -0.138 4.388 4.340 0.310 0.000 0.232 64 R C 2.057 178.455 176.300 0.163 0.000 1.126 64 R CA 1.440 57.655 56.100 0.193 0.000 0.963 64 R CB -0.063 30.346 30.300 0.182 0.000 0.858 64 R HN 0.376 nan 8.270 nan 0.000 0.435 65 N N 0.377 119.182 118.700 0.175 0.000 2.364 65 N HA -0.143 4.782 4.740 0.310 0.000 0.183 65 N C 1.642 177.093 175.510 -0.098 0.000 1.022 65 N CA 1.594 54.761 53.050 0.195 0.000 0.883 65 N CB -0.221 38.511 38.487 0.408 0.000 0.965 65 N HN 0.325 nan 8.380 nan 0.000 0.438 66 S N -0.693 115.023 115.700 0.026 0.000 2.474 66 S HA 0.043 4.699 4.470 0.310 0.000 0.235 66 S C 1.631 176.052 174.600 -0.298 0.000 0.997 66 S CA 1.009 59.193 58.200 -0.027 0.000 0.949 66 S CB -0.319 63.076 63.200 0.325 0.000 0.766 66 S HN 0.440 nan 8.310 nan 0.000 0.517 67 G N 1.261 109.700 108.800 -0.602 0.000 2.184 67 G HA2 -0.295 3.851 3.960 0.310 0.000 0.264 67 G HA3 -0.295 3.851 3.960 0.310 0.000 0.264 67 G C 0.742 175.602 174.900 -0.066 0.000 0.975 67 G CA 0.644 45.407 45.100 -0.561 0.000 0.642 67 G HN 0.592 nan 8.290 nan 0.000 0.536 68 K N -1.280 119.143 120.400 0.039 0.000 2.360 68 K HA 0.421 4.927 4.320 0.310 0.000 0.196 68 K C -0.048 176.341 176.600 -0.352 0.000 1.049 68 K CA 0.121 56.344 56.287 -0.106 0.000 1.049 68 K CB 0.595 33.038 32.500 -0.096 0.000 0.881 68 K HN 0.318 nan 8.250 nan 0.000 0.542 69 F N 0.240 120.248 119.950 0.096 0.000 2.588 69 F HA 0.303 5.015 4.527 0.308 0.000 0.314 69 F C -0.088 175.769 175.800 0.095 0.000 1.069 69 F CA -1.304 56.751 58.000 0.092 0.000 0.931 69 F CB 1.420 40.483 39.000 0.103 0.000 1.260 69 F HN -0.233 nan 8.300 nan 0.000 0.465 70 N N 3.018 121.885 118.700 0.278 0.000 2.851 70 N HA 0.400 5.326 4.740 0.310 0.000 0.248 70 N C -3.070 172.558 175.510 0.196 0.000 1.221 70 N CA -2.419 50.753 53.050 0.203 0.000 0.847 70 N CB 0.740 39.313 38.487 0.144 0.000 1.150 70 N HN 0.050 nan 8.380 nan 0.000 0.507 71 P HA 0.010 nan 4.420 nan 0.000 0.264 71 P C -0.116 177.268 177.300 0.141 0.000 1.193 71 P CA -0.421 62.765 63.100 0.143 0.000 0.763 71 P CB 0.566 32.323 31.700 0.095 0.000 0.810 72 L N 3.544 124.867 121.223 0.166 0.000 2.490 72 L HA 0.094 4.620 4.340 0.310 0.000 0.274 72 L C 0.466 177.416 176.870 0.135 0.000 1.201 72 L CA 0.141 55.081 54.840 0.167 0.000 0.869 72 L CB -0.380 41.824 42.059 0.242 0.000 1.123 72 L HN 0.313 nan 8.230 nan 0.000 0.484 73 D N 2.959 123.421 120.400 0.103 0.000 2.472 73 D HA -0.007 4.819 4.640 0.310 0.000 0.237 73 D C 1.126 177.475 176.300 0.082 0.000 1.141 73 D CA 0.422 54.470 54.000 0.081 0.000 0.875 73 D CB 0.792 41.629 40.800 0.062 0.000 1.192 73 D HN 0.538 nan 8.370 nan 0.000 0.450 74 R N 2.586 123.129 120.500 0.072 0.000 2.152 74 R HA -0.123 4.403 4.340 0.310 0.000 0.232 74 R C 1.889 178.221 176.300 0.054 0.000 1.117 74 R CA 1.174 57.317 56.100 0.071 0.000 0.981 74 R CB -0.273 30.063 30.300 0.061 0.000 0.870 74 R HN 0.539 nan 8.270 nan 0.000 0.451 75 A N 0.906 123.751 122.820 0.042 0.000 2.131 75 A HA -0.147 4.359 4.320 0.310 0.000 0.220 75 A C 1.720 179.315 177.584 0.018 0.000 1.158 75 A CA 1.200 53.253 52.037 0.028 0.000 0.665 75 A CB -0.125 18.890 19.000 0.024 0.000 0.795 75 A HN 0.248 nan 8.150 nan 0.000 0.460 76 R N -1.282 119.233 120.500 0.024 0.000 2.476 76 R HA 0.333 4.859 4.340 0.310 0.000 0.276 76 R C -0.554 175.727 176.300 -0.032 0.000 0.941 76 R CA -0.355 55.745 56.100 -0.000 0.000 1.088 76 R CB 0.191 30.500 30.300 0.014 0.000 1.216 76 R HN 0.353 nan 8.270 nan 0.000 0.533 77 L N 3.733 124.958 121.223 0.002 0.000 2.513 77 L HA 0.065 4.591 4.340 0.310 0.000 0.272 77 L C -1.025 175.746 176.870 -0.165 0.000 1.187 77 L CA -0.991 53.830 54.840 -0.031 0.000 0.895 77 L CB 0.381 42.517 42.059 0.129 0.000 1.147 77 L HN -0.085 nan 8.230 nan 0.000 0.483 78 P HA -0.102 nan 4.420 nan 0.000 0.225 78 P C -0.336 176.821 177.300 -0.237 0.000 1.156 78 P CA 0.944 63.813 63.100 -0.385 0.000 0.787 78 P CB 0.425 31.738 31.700 -0.645 0.000 0.802 79 Q N -2.197 117.512 119.800 -0.151 0.000 2.633 79 Q HA 0.426 4.952 4.340 0.310 0.000 0.289 79 Q C -1.100 175.003 176.000 0.173 0.000 0.940 79 Q CA -0.884 54.939 55.803 0.032 0.000 0.785 79 Q CB 0.804 29.583 28.738 0.068 0.000 1.467 79 Q HN -0.195 nan 8.270 nan 0.000 0.401 80 Q N 1.086 120.978 119.800 0.153 0.000 2.851 80 Q HA 0.323 4.849 4.340 0.310 0.000 0.331 80 Q C -2.304 173.783 176.000 0.144 0.000 0.979 80 Q CA -1.654 54.252 55.803 0.172 0.000 0.955 80 Q CB 1.231 30.046 28.738 0.129 0.000 1.298 80 Q HN 0.467 nan 8.270 nan 0.000 0.432 81 P HA 0.045 nan 4.420 nan 0.000 0.271 81 P C 0.443 177.777 177.300 0.056 0.000 1.216 81 P CA 0.125 63.287 63.100 0.103 0.000 0.776 81 P CB 1.250 33.020 31.700 0.118 0.000 0.881 82 G N 0.599 109.416 108.800 0.028 0.000 3.233 82 G HA2 0.274 4.420 3.960 0.310 0.000 0.234 82 G HA3 0.274 4.420 3.960 0.310 0.000 0.234 82 G C 0.114 174.983 174.900 -0.051 0.000 1.137 82 G CA 0.088 45.186 45.100 -0.004 0.000 0.763 82 G HN 0.756 nan 8.290 nan 0.000 0.549 83 S N -2.563 113.108 115.700 -0.049 0.000 2.587 83 S HA 0.618 5.274 4.470 0.310 0.000 0.269 83 S C 0.881 175.446 174.600 -0.059 0.000 1.154 83 S CA 0.230 58.388 58.200 -0.070 0.000 0.824 83 S CB 1.180 64.350 63.200 -0.050 0.000 1.118 83 S HN 0.561 nan 8.310 nan 0.000 0.462 84 A N 0.901 123.676 122.820 -0.074 0.000 1.940 84 A HA -0.088 4.418 4.320 0.310 0.000 0.219 84 A C 2.015 179.580 177.584 -0.031 0.000 1.176 84 A CA 1.844 53.844 52.037 -0.061 0.000 0.631 84 A CB -1.164 17.792 19.000 -0.073 0.000 0.814 84 A HN 0.856 nan 8.150 nan 0.000 0.446 85 Q N -0.668 119.116 119.800 -0.026 0.000 2.291 85 Q HA -0.158 4.368 4.340 0.310 0.000 0.206 85 Q C 1.479 177.484 176.000 0.009 0.000 0.976 85 Q CA 1.378 57.175 55.803 -0.009 0.000 0.875 85 Q CB -0.103 28.627 28.738 -0.013 0.000 0.927 85 Q HN 0.767 nan 8.270 nan 0.000 0.450 86 E N 0.006 120.214 120.200 0.014 0.000 2.478 86 E HA 0.023 4.559 4.350 0.310 0.000 0.194 86 E C -0.169 176.475 176.600 0.074 0.000 1.045 86 E CA -0.190 56.233 56.400 0.038 0.000 0.868 86 E CB 0.569 30.291 29.700 0.036 0.000 0.885 86 E HN 0.030 nan 8.360 nan 0.000 0.505 87 V N 2.345 122.299 119.914 0.067 0.000 2.585 87 V HA -0.080 4.226 4.120 0.310 0.000 0.296 87 V C 0.337 176.521 176.094 0.150 0.000 1.035 87 V CA 0.684 63.057 62.300 0.123 0.000 1.084 87 V CB 0.871 32.715 31.823 0.034 0.000 0.953 87 V HN 0.179 nan 8.190 nan 0.000 0.483 88 Q N 6.294 126.240 119.800 0.244 0.000 2.509 88 Q HA 0.237 4.763 4.340 0.310 0.000 0.236 88 Q C -1.764 174.409 176.000 0.288 0.000 1.073 88 Q CA -1.718 54.200 55.803 0.192 0.000 0.867 88 Q CB 1.373 30.183 28.738 0.120 0.000 1.181 88 Q HN 0.529 nan 8.270 nan 0.000 0.526 89 P HA -0.252 nan 4.420 nan 0.000 0.216 89 P C 0.984 178.426 177.300 0.237 0.000 1.150 89 P CA 1.375 64.624 63.100 0.248 0.000 0.843 89 P CB 0.312 32.088 31.700 0.127 0.000 0.787 90 A N -0.192 122.711 122.820 0.138 0.000 2.019 90 A HA -0.092 4.414 4.320 0.310 0.000 0.219 90 A C 2.259 179.867 177.584 0.040 0.000 1.164 90 A CA 1.834 53.919 52.037 0.081 0.000 0.644 90 A CB -1.460 17.567 19.000 0.045 0.000 0.805 90 A HN 0.215 nan 8.150 nan 0.000 0.449 91 A N -1.717 121.098 122.820 -0.008 0.000 2.067 91 A HA -0.031 4.475 4.320 0.310 0.000 0.219 91 A C 1.818 179.203 177.584 -0.332 0.000 1.158 91 A CA 1.190 53.092 52.037 -0.225 0.000 0.661 91 A CB -0.618 18.150 19.000 -0.387 0.000 0.801 91 A HN 0.766 nan 8.150 nan 0.000 0.452 92 W N -0.093 121.222 121.300 0.026 0.000 2.630 92 W HA 0.026 4.872 4.660 0.310 0.000 0.275 92 W C 2.755 179.292 176.519 0.031 0.000 1.192 92 W CA 0.770 58.134 57.345 0.031 0.000 1.410 92 W CB -0.439 29.042 29.460 0.035 0.000 1.075 92 W HN 0.338 nan 8.180 nan 0.000 0.581 93 S N 0.882 116.723 115.700 0.234 0.000 2.400 93 S HA -0.167 4.489 4.470 0.310 0.000 0.232 93 S C 1.940 176.591 174.600 0.085 0.000 1.025 93 S CA 1.231 59.514 58.200 0.138 0.000 0.993 93 S CB -0.954 62.309 63.200 0.105 0.000 0.808 93 S HN 0.139 nan 8.310 nan 0.000 0.478 94 A N 1.291 124.143 122.820 0.053 0.000 2.131 94 A HA 0.212 4.718 4.320 0.310 0.000 0.220 94 A C 2.008 179.603 177.584 0.018 0.000 1.158 94 A CA 1.139 53.186 52.037 0.016 0.000 0.665 94 A CB -0.594 18.394 19.000 -0.021 0.000 0.795 94 A HN 0.615 nan 8.150 nan 0.000 0.460 95 L N -1.700 119.547 121.223 0.041 0.000 2.728 95 L HA 0.297 4.823 4.340 0.310 0.000 0.238 95 L C 1.369 178.292 176.870 0.089 0.000 1.143 95 L CA 0.318 55.190 54.840 0.052 0.000 0.937 95 L CB 0.052 42.139 42.059 0.046 0.000 1.225 95 L HN 0.476 nan 8.230 nan 0.000 0.507 96 G N 1.607 110.463 108.800 0.094 0.000 2.221 96 G HA2 -0.286 3.860 3.960 0.310 0.000 0.265 96 G HA3 -0.286 3.860 3.960 0.310 0.000 0.265 96 G C 0.011 174.985 174.900 0.122 0.000 1.041 96 G CA 0.020 45.176 45.100 0.093 0.000 0.807 96 G HN 0.333 nan 8.290 nan 0.000 0.502 97 I N 0.995 121.671 120.570 0.177 0.000 2.330 97 I HA 0.284 4.640 4.170 0.310 0.000 0.289 97 I C 0.742 176.961 176.117 0.169 0.000 1.001 97 I CA -0.537 60.887 61.300 0.208 0.000 1.193 97 I CB 1.436 39.648 38.000 0.354 0.000 1.345 97 I HN 0.222 nan 8.210 nan 0.000 0.461 98 D N 4.907 125.372 120.400 0.109 0.000 2.369 98 D HA 0.245 5.071 4.640 0.310 0.000 0.211 98 D C 0.069 176.388 176.300 0.033 0.000 1.077 98 D CA -0.033 54.011 54.000 0.074 0.000 0.842 98 D CB 0.733 41.570 40.800 0.062 0.000 0.947 98 D HN 0.375 nan 8.370 nan 0.000 0.509 99 A N -0.300 122.522 122.820 0.004 0.000 2.574 99 A HA 0.640 5.146 4.320 0.310 0.000 0.297 99 A C -1.558 175.910 177.584 -0.193 0.000 1.062 99 A CA -0.696 51.302 52.037 -0.065 0.000 0.686 99 A CB 2.016 21.014 19.000 -0.003 0.000 1.285 99 A HN 0.018 nan 8.150 nan 0.000 0.403 100 V N 1.497 121.238 119.914 -0.288 0.000 2.709 100 V HA 0.527 4.833 4.120 0.310 0.000 0.308 100 V C -0.538 175.414 176.094 -0.237 0.000 1.062 100 V CA -0.627 61.402 62.300 -0.452 0.000 0.901 100 V CB 1.895 33.200 31.823 -0.863 0.000 1.003 100 V HN 0.749 nan 8.190 nan 0.000 0.425 101 V N 5.456 125.272 119.914 -0.163 0.000 2.370 101 V HA 0.620 4.926 4.120 0.310 0.000 0.279 101 V C 0.045 176.125 176.094 -0.023 0.000 1.029 101 V CA -0.370 61.916 62.300 -0.024 0.000 0.870 101 V CB 1.529 33.385 31.823 0.054 0.000 0.984 101 V HN 0.761 nan 8.190 nan 0.000 0.451 102 V N 2.285 122.143 119.914 -0.093 0.000 3.113 102 V HA 1.163 5.469 4.120 0.310 0.000 0.316 102 V C 0.154 175.873 176.094 -0.624 0.000 1.125 102 V CA -0.164 62.001 62.300 -0.224 0.000 1.026 102 V CB 1.756 33.480 31.823 -0.165 0.000 1.080 102 V HN 1.117 nan 8.190 nan 0.000 0.444 103 G N 0.733 108.940 108.800 -0.988 0.000 2.441 103 G HA2 0.631 4.777 3.960 0.310 0.000 0.294 103 G HA3 0.631 4.777 3.960 0.310 0.000 0.294 103 G C -2.228 172.239 174.900 -0.722 0.000 1.393 103 G CA -0.753 43.518 45.100 -1.382 0.000 0.796 103 G HN 0.902 nan 8.290 nan 0.000 0.494 104 Q N -1.128 118.488 119.800 -0.306 0.000 2.315 104 Q HA 0.644 5.170 4.340 0.310 0.000 0.273 104 Q C -0.911 175.245 176.000 0.260 0.000 1.053 104 Q CA -0.699 55.136 55.803 0.052 0.000 0.817 104 Q CB 3.015 31.758 28.738 0.008 0.000 1.326 104 Q HN 0.521 nan 8.270 nan 0.000 0.423 105 V N 1.608 121.749 119.914 0.379 0.000 2.448 105 V HA 0.853 5.159 4.120 0.310 0.000 0.295 105 V C -0.498 175.918 176.094 0.536 0.000 1.025 105 V CA -0.543 62.028 62.300 0.453 0.000 0.859 105 V CB 1.733 33.807 31.823 0.418 0.000 0.988 105 V HN 0.932 nan 8.190 nan 0.000 0.431 106 T N 3.267 118.098 114.554 0.461 0.000 2.912 106 T HA 0.670 5.206 4.350 0.310 0.000 0.299 106 T C -3.153 171.771 174.700 0.374 0.000 1.052 106 T CA -2.183 60.112 62.100 0.324 0.000 0.996 106 T CB 2.676 71.625 68.868 0.135 0.000 1.070 106 T HN 0.453 nan 8.240 nan 0.000 0.465 107 P HA 0.402 nan 4.420 nan 0.000 0.288 107 P C -0.989 176.286 177.300 -0.041 0.000 1.267 107 P CA -0.619 62.510 63.100 0.048 0.000 0.815 107 P CB 0.872 32.614 31.700 0.070 0.000 0.989 108 N N 2.995 121.624 118.700 -0.117 0.000 2.466 108 N HA 0.277 5.203 4.740 0.310 0.000 0.294 108 N C -1.699 173.765 175.510 -0.076 0.000 1.129 108 N CA -1.891 51.118 53.050 -0.067 0.000 0.931 108 N CB 0.506 38.969 38.487 -0.040 0.000 1.193 108 N HN 0.231 nan 8.380 nan 0.000 0.500 109 P HA -0.097 nan 4.420 nan 0.000 0.222 109 P C 0.455 177.738 177.300 -0.029 0.000 1.147 109 P CA 1.079 64.160 63.100 -0.032 0.000 0.790 109 P CB 0.180 31.869 31.700 -0.019 0.000 0.780 110 D N -1.641 118.742 120.400 -0.029 0.000 2.349 110 D HA 0.062 4.888 4.640 0.310 0.000 0.224 110 D C 1.447 177.733 176.300 -0.024 0.000 1.029 110 D CA 0.692 54.683 54.000 -0.016 0.000 0.879 110 D CB -0.858 39.940 40.800 -0.003 0.000 0.906 110 D HN 0.233 nan 8.370 nan 0.000 0.528 111 G N -0.072 108.688 108.800 -0.067 0.000 2.175 111 G HA2 -0.283 3.863 3.960 0.310 0.000 0.244 111 G HA3 -0.283 3.863 3.960 0.310 0.000 0.244 111 G C 0.484 175.285 174.900 -0.166 0.000 0.982 111 G CA 0.456 45.499 45.100 -0.094 0.000 0.641 111 G HN 0.821 nan 8.290 nan 0.000 0.527 112 S N -0.669 114.955 115.700 -0.126 0.000 2.661 112 S HA 0.791 5.447 4.470 0.310 0.000 0.265 112 S C -0.194 174.229 174.600 -0.295 0.000 1.225 112 S CA -0.352 57.812 58.200 -0.061 0.000 0.986 112 S CB 1.326 64.560 63.200 0.057 0.000 1.008 112 S HN 0.580 nan 8.310 nan 0.000 0.565 113 Y N -0.569 119.827 120.300 0.161 0.000 2.545 113 Y HA 0.478 5.214 4.550 0.310 0.000 0.348 113 Y C -0.005 176.004 175.900 0.182 0.000 1.002 113 Y CA -1.129 57.083 58.100 0.187 0.000 1.039 113 Y CB 1.733 40.310 38.460 0.196 0.000 1.271 113 Y HN 0.616 nan 8.280 nan 0.000 0.467 114 N N 1.309 120.210 118.700 0.336 0.000 2.419 114 N HA 0.454 5.380 4.740 0.310 0.000 0.277 114 N C -1.488 174.200 175.510 0.296 0.000 1.006 114 N CA -0.432 52.773 53.050 0.258 0.000 0.923 114 N CB 2.381 40.964 38.487 0.161 0.000 1.140 114 N HN 0.251 nan 8.380 nan 0.000 0.488 115 V N 1.218 121.310 119.914 0.298 0.000 2.378 115 V HA 0.668 4.974 4.120 0.310 0.000 0.288 115 V C -0.181 176.061 176.094 0.246 0.000 1.016 115 V CA -0.742 61.763 62.300 0.341 0.000 0.840 115 V CB 1.112 33.177 31.823 0.402 0.000 0.994 115 V HN 0.805 nan 8.190 nan 0.000 0.431 116 A N 5.271 128.202 122.820 0.186 0.000 2.365 116 A HA 0.970 5.476 4.320 0.310 0.000 0.318 116 A C -1.219 176.372 177.584 0.011 0.000 1.091 116 A CA -0.570 51.460 52.037 -0.012 0.000 0.763 116 A CB 1.562 20.501 19.000 -0.101 0.000 1.248 116 A HN 1.132 nan 8.150 nan 0.000 0.442 117 Y N -0.250 119.989 120.300 -0.102 0.000 2.576 117 Y HA 0.816 5.553 4.550 0.312 0.000 0.346 117 Y C -0.907 174.904 175.900 -0.148 0.000 1.018 117 Y CA -1.177 56.824 58.100 -0.166 0.000 1.050 117 Y CB 1.474 39.995 38.460 0.102 0.000 1.280 117 Y HN 0.549 nan 8.280 nan 0.000 0.474 118 Q N 2.726 122.386 119.800 -0.233 0.000 2.347 118 Q HA 0.508 5.034 4.340 0.310 0.000 0.271 118 Q C -1.946 174.084 176.000 0.049 0.000 1.064 118 Q CA -0.763 54.903 55.803 -0.229 0.000 0.800 118 Q CB 2.869 31.484 28.738 -0.205 0.000 1.304 118 Q HN 0.812 nan 8.270 nan 0.000 0.438 119 L N 2.686 123.976 121.223 0.111 0.000 2.265 119 L HA 0.655 5.181 4.340 0.310 0.000 0.289 119 L C -1.473 175.399 176.870 0.004 0.000 1.033 119 L CA -0.517 54.385 54.840 0.104 0.000 0.814 119 L CB 1.190 43.360 42.059 0.186 0.000 1.203 119 L HN 0.512 nan 8.230 nan 0.000 0.423 120 V N 4.571 124.454 119.914 -0.051 0.000 2.417 120 V HA 0.328 4.634 4.120 0.310 0.000 0.291 120 V C -0.180 175.872 176.094 -0.070 0.000 1.024 120 V CA -0.850 61.410 62.300 -0.068 0.000 0.861 120 V CB 1.507 33.271 31.823 -0.098 0.000 0.985 120 V HN 0.715 nan 8.190 nan 0.000 0.436 121 D N 3.596 123.975 120.400 -0.035 0.000 2.383 121 D HA 0.086 4.912 4.640 0.310 0.000 0.252 121 D C 0.697 176.989 176.300 -0.014 0.000 1.166 121 D CA 0.234 54.224 54.000 -0.018 0.000 0.879 121 D CB 1.652 42.451 40.800 -0.001 0.000 1.164 121 D HN 0.778 nan 8.370 nan 0.000 0.462 122 T N 0.687 115.240 114.554 -0.002 0.000 3.380 122 T HA 0.493 5.029 4.350 0.310 0.000 0.289 122 T C 0.666 175.411 174.700 0.075 0.000 1.012 122 T CA -0.273 61.854 62.100 0.045 0.000 0.944 122 T CB 0.607 69.508 68.868 0.056 0.000 1.172 122 T HN 0.296 nan 8.240 nan 0.000 0.502 123 G N 1.187 110.018 108.800 0.051 0.000 3.069 123 G HA2 0.526 4.672 3.960 0.310 0.000 0.205 123 G HA3 0.526 4.672 3.960 0.310 0.000 0.205 123 G C 1.177 176.100 174.900 0.039 0.000 1.771 123 G CA 0.070 45.201 45.100 0.051 0.000 0.739 123 G HN 0.302 nan 8.290 nan 0.000 0.784 124 G N -0.126 108.691 108.800 0.030 0.000 2.744 124 G HA2 0.387 4.533 3.960 0.310 0.000 0.211 124 G HA3 0.387 4.533 3.960 0.310 0.000 0.211 124 G C 0.635 175.547 174.900 0.020 0.000 1.143 124 G CA 1.351 46.465 45.100 0.023 0.000 0.788 124 G HN 1.095 nan 8.290 nan 0.000 0.534 125 A N 1.138 123.969 122.820 0.019 0.000 3.297 125 A HA 0.614 5.120 4.320 0.310 0.000 0.304 125 A C -2.675 174.918 177.584 0.015 0.000 0.963 125 A CA -1.116 50.930 52.037 0.014 0.000 0.935 125 A CB 0.902 19.908 19.000 0.010 0.000 1.093 125 A HN 0.095 nan 8.150 nan 0.000 0.480 126 P HA 0.230 nan 4.420 nan 0.000 0.267 126 P C 1.054 178.367 177.300 0.021 0.000 1.209 126 P CA 1.946 65.063 63.100 0.030 0.000 0.763 126 P CB 0.899 32.624 31.700 0.042 0.000 0.816 127 G N 2.356 111.164 108.800 0.013 0.000 2.195 127 G HA2 -0.219 3.927 3.960 0.310 0.000 0.246 127 G HA3 -0.219 3.927 3.960 0.310 0.000 0.246 127 G C 0.281 175.177 174.900 -0.008 0.000 0.984 127 G CA 0.287 45.390 45.100 0.004 0.000 0.633 127 G HN 0.833 nan 8.290 nan 0.000 0.525 128 T N -0.849 113.701 114.554 -0.007 0.000 2.907 128 T HA 0.576 5.112 4.350 0.310 0.000 0.298 128 T C 0.297 174.985 174.700 -0.020 0.000 1.017 128 T CA -0.206 61.887 62.100 -0.012 0.000 1.118 128 T CB 2.441 71.306 68.868 -0.005 0.000 0.948 128 T HN 0.763 nan 8.240 nan 0.000 0.531 129 V N 5.142 125.040 119.914 -0.027 0.000 2.385 129 V HA 0.174 4.480 4.120 0.310 0.000 0.269 129 V C 1.261 177.342 176.094 -0.022 0.000 1.043 129 V CA -0.353 61.925 62.300 -0.036 0.000 0.906 129 V CB 0.443 32.230 31.823 -0.060 0.000 0.995 129 V HN 0.893 nan 8.190 nan 0.000 0.467 130 L N 4.037 125.258 121.223 -0.005 0.000 2.209 130 L HA 0.399 4.925 4.340 0.310 0.000 0.207 130 L C 0.957 177.844 176.870 0.028 0.000 1.094 130 L CA 1.023 55.871 54.840 0.014 0.000 0.790 130 L CB 0.001 42.075 42.059 0.027 0.000 0.932 130 L HN 0.757 nan 8.230 nan 0.000 0.447 131 A N -0.027 122.816 122.820 0.038 0.000 2.589 131 A HA 0.673 5.178 4.320 0.310 0.000 0.296 131 A C -1.531 176.002 177.584 -0.084 0.000 1.062 131 A CA -0.509 51.565 52.037 0.061 0.000 0.686 131 A CB 1.496 20.622 19.000 0.211 0.000 1.282 131 A HN 0.131 nan 8.150 nan 0.000 0.404 132 Q N 1.125 120.771 119.800 -0.256 0.000 2.472 132 Q HA 0.755 5.281 4.340 0.310 0.000 0.281 132 Q C -1.675 173.970 176.000 -0.592 0.000 0.997 132 Q CA -1.045 54.332 55.803 -0.710 0.000 0.828 132 Q CB 1.817 30.290 28.738 -0.442 0.000 1.443 132 Q HN 0.600 nan 8.270 nan 0.000 0.390 133 N N -0.289 117.919 118.700 -0.820 0.000 3.020 133 N HA 0.578 5.504 4.740 0.310 0.000 0.248 133 N C -2.038 173.126 175.510 -0.577 0.000 1.480 133 N CA -0.299 52.467 53.050 -0.473 0.000 0.874 133 N CB 2.676 41.033 38.487 -0.216 0.000 1.433 133 N HN 0.618 nan 8.380 nan 0.000 0.530 134 S N 0.211 115.555 115.700 -0.593 0.000 2.540 134 S HA 0.731 5.387 4.470 0.310 0.000 0.275 134 S C -1.944 172.354 174.600 -0.504 0.000 1.123 134 S CA -0.442 57.458 58.200 -0.501 0.000 0.907 134 S CB 0.335 63.412 63.200 -0.205 0.000 1.081 134 S HN 0.370 nan 8.310 nan 0.000 0.476 135 Y N 1.981 122.365 120.300 0.141 0.000 2.391 135 Y HA 0.502 5.240 4.550 0.312 0.000 0.341 135 Y C 0.042 176.038 175.900 0.160 0.000 0.965 135 Y CA -0.943 57.249 58.100 0.152 0.000 1.067 135 Y CB 1.585 40.157 38.460 0.188 0.000 1.199 135 Y HN 0.509 nan 8.280 nan 0.000 0.450 136 K N 3.962 124.529 120.400 0.278 0.000 2.263 136 K HA 0.645 5.151 4.320 0.310 0.000 0.272 136 K C -1.289 175.450 176.600 0.231 0.000 1.033 136 K CA -0.566 55.853 56.287 0.219 0.000 0.884 136 K CB 0.719 33.302 32.500 0.139 0.000 1.107 136 K HN 0.625 nan 8.250 nan 0.000 0.460 137 V N 1.006 121.085 119.914 0.275 0.000 2.962 137 V HA 0.465 4.771 4.120 0.310 0.000 0.313 137 V C -0.591 175.697 176.094 0.323 0.000 1.099 137 V CA -1.314 61.158 62.300 0.287 0.000 0.971 137 V CB 1.529 33.572 31.823 0.367 0.000 1.028 137 V HN 0.920 nan 8.190 nan 0.000 0.430 138 N N 2.185 121.077 118.700 0.320 0.000 2.399 138 N HA 0.232 5.157 4.740 0.310 0.000 0.250 138 N C 0.694 176.446 175.510 0.405 0.000 1.272 138 N CA 0.098 53.352 53.050 0.340 0.000 0.928 138 N CB 0.646 39.308 38.487 0.292 0.000 1.158 138 N HN 0.755 nan 8.380 nan 0.000 0.463 139 K N 0.116 120.746 120.400 0.383 0.000 2.160 139 K HA -0.225 4.281 4.320 0.310 0.000 0.206 139 K C 1.366 178.063 176.600 0.161 0.000 1.047 139 K CA 1.638 58.109 56.287 0.306 0.000 0.930 139 K CB -0.167 32.513 32.500 0.300 0.000 0.720 139 K HN 0.652 nan 8.250 nan 0.000 0.450 140 Q N -1.196 118.698 119.800 0.158 0.000 2.472 140 Q HA -0.092 4.434 4.340 0.310 0.000 0.208 140 Q C 0.410 176.302 176.000 -0.181 0.000 0.958 140 Q CA 0.678 56.477 55.803 -0.007 0.000 0.932 140 Q CB 0.195 28.895 28.738 -0.065 0.000 1.007 140 Q HN 0.442 nan 8.270 nan 0.000 0.508 141 W N -0.590 120.820 121.300 0.185 0.000 2.771 141 W HA 0.293 5.137 4.660 0.307 0.000 0.412 141 W C 0.842 177.454 176.519 0.154 0.000 0.965 141 W CA -0.414 57.042 57.345 0.184 0.000 2.045 141 W CB 0.377 29.897 29.460 0.099 0.000 1.176 141 W HN 0.036 nan 8.180 nan 0.000 0.634 142 L N 0.187 121.511 121.223 0.168 0.000 2.093 142 L HA -0.139 4.387 4.340 0.310 0.000 0.208 142 L C 2.572 179.407 176.870 -0.058 0.000 1.085 142 L CA 1.377 56.242 54.840 0.042 0.000 0.755 142 L CB -0.410 41.581 42.059 -0.112 0.000 0.904 142 L HN 0.003 nan 8.230 nan 0.000 0.435 143 R N -0.976 119.429 120.500 -0.158 0.000 2.091 143 R HA -0.240 4.286 4.340 0.310 0.000 0.238 143 R C 2.310 178.461 176.300 -0.250 0.000 1.136 143 R CA 1.931 57.824 56.100 -0.346 0.000 0.959 143 R CB -0.724 29.295 30.300 -0.469 0.000 0.856 143 R HN 0.286 nan 8.270 nan 0.000 0.437 144 Y N 1.502 121.810 120.300 0.013 0.000 2.114 144 Y HA -0.319 4.416 4.550 0.307 0.000 0.282 144 Y C 2.340 178.267 175.900 0.046 0.000 1.165 144 Y CA 1.601 59.824 58.100 0.205 0.000 1.148 144 Y CB -0.391 38.370 38.460 0.501 0.000 0.972 144 Y HN 0.087 nan 8.280 nan 0.000 0.504 145 A N 0.162 123.037 122.820 0.090 0.000 1.883 145 A HA -0.143 4.363 4.320 0.310 0.000 0.217 145 A C 2.508 180.014 177.584 -0.131 0.000 1.186 145 A CA 1.875 53.885 52.037 -0.044 0.000 0.624 145 A CB -1.771 17.351 19.000 0.204 0.000 0.822 145 A HN 0.620 nan 8.150 nan 0.000 0.444 146 G N -1.088 107.601 108.800 -0.185 0.000 2.446 146 G HA2 -0.265 3.880 3.960 0.310 0.000 0.217 146 G HA3 -0.265 3.880 3.960 0.310 0.000 0.217 146 G C 1.372 176.117 174.900 -0.259 0.000 1.168 146 G CA 1.251 46.185 45.100 -0.277 0.000 0.771 146 G HN 0.785 nan 8.290 nan 0.000 0.551 147 H N -0.238 118.718 119.070 -0.191 0.000 2.421 147 H HA -0.024 4.720 4.556 0.314 0.000 0.298 147 H C 2.898 178.107 175.328 -0.198 0.000 1.087 147 H CA 1.295 57.253 56.048 -0.151 0.000 1.330 147 H CB 0.149 29.885 29.762 -0.044 0.000 1.388 147 H HN 0.311 nan 8.280 nan 0.000 0.526 148 T N 0.329 114.711 114.554 -0.285 0.000 2.737 148 T HA -0.146 4.390 4.350 0.310 0.000 0.265 148 T C 2.410 177.027 174.700 -0.139 0.000 1.038 148 T CA 0.960 62.837 62.100 -0.371 0.000 1.144 148 T CB -0.421 67.922 68.868 -0.874 0.000 0.866 148 T HN 0.477 nan 8.240 nan 0.000 0.434 149 A N 1.715 124.495 122.820 -0.066 0.000 1.883 149 A HA -0.152 4.354 4.320 0.310 0.000 0.217 149 A C 2.622 180.027 177.584 -0.299 0.000 1.186 149 A CA 2.184 54.121 52.037 -0.167 0.000 0.624 149 A CB -1.073 17.910 19.000 -0.029 0.000 0.822 149 A HN 0.448 nan 8.150 nan 0.000 0.444 150 S N 0.079 115.669 115.700 -0.183 0.000 2.370 150 S HA -0.176 4.480 4.470 0.310 0.000 0.226 150 S C 1.669 176.340 174.600 0.119 0.000 1.033 150 S CA 1.465 59.564 58.200 -0.168 0.000 1.011 150 S CB -0.494 62.459 63.200 -0.411 0.000 0.852 150 S HN 0.605 nan 8.310 nan 0.000 0.457 151 D N 1.080 121.601 120.400 0.203 0.000 2.123 151 D HA -0.089 4.737 4.640 0.310 0.000 0.196 151 D C 2.048 178.438 176.300 0.150 0.000 0.992 151 D CA 1.002 55.126 54.000 0.206 0.000 0.833 151 D CB -0.246 40.596 40.800 0.069 0.000 0.954 151 D HN 0.541 nan 8.370 nan 0.000 0.455 152 E N 0.043 120.280 120.200 0.062 0.000 2.072 152 E HA -0.082 4.454 4.350 0.310 0.000 0.190 152 E C 2.329 178.963 176.600 0.057 0.000 0.982 152 E CA 0.425 56.874 56.400 0.082 0.000 0.803 152 E CB 0.165 29.960 29.700 0.160 0.000 0.755 152 E HN 0.081 nan 8.360 nan 0.000 0.453 153 V N 1.280 121.154 119.914 -0.066 0.000 2.295 153 V HA -0.256 4.050 4.120 0.310 0.000 0.246 153 V C 2.051 178.170 176.094 0.043 0.000 1.049 153 V CA 1.823 64.089 62.300 -0.057 0.000 1.024 153 V CB -0.531 31.177 31.823 -0.192 0.000 0.648 153 V HN 0.219 nan 8.190 nan 0.000 0.447 154 F N 1.052 120.983 119.950 -0.032 0.000 2.069 154 F HA -0.251 4.464 4.527 0.313 0.000 0.298 154 F C 2.547 178.407 175.800 0.099 0.000 1.113 154 F CA 2.474 60.522 58.000 0.081 0.000 1.214 154 F CB -0.219 38.914 39.000 0.222 0.000 0.978 154 F HN 0.210 nan 8.300 nan 0.000 0.474 155 E N -0.039 120.286 120.200 0.208 0.000 2.106 155 E HA -0.277 4.259 4.350 0.310 0.000 0.192 155 E C 2.169 178.774 176.600 0.008 0.000 0.984 155 E CA 1.208 57.654 56.400 0.075 0.000 0.806 155 E CB -0.133 29.627 29.700 0.100 0.000 0.750 155 E HN 0.195 nan 8.360 nan 0.000 0.458 156 K N 0.588 121.011 120.400 0.038 0.000 2.057 156 K HA -0.098 4.408 4.320 0.310 0.000 0.207 156 K C 1.908 178.514 176.600 0.010 0.000 1.049 156 K CA 1.306 57.612 56.287 0.032 0.000 0.931 156 K CB -0.208 32.329 32.500 0.061 0.000 0.714 156 K HN 0.190 nan 8.250 nan 0.000 0.440 157 L N -0.308 120.921 121.223 0.010 0.000 2.209 157 L HA 0.007 4.533 4.340 0.310 0.000 0.207 157 L C 2.055 178.905 176.870 -0.033 0.000 1.094 157 L CA 1.447 56.309 54.840 0.037 0.000 0.790 157 L CB -0.374 41.785 42.059 0.166 0.000 0.932 157 L HN 0.397 nan 8.230 nan 0.000 0.447 158 T N -4.974 109.490 114.554 -0.151 0.000 2.990 158 T HA 0.230 4.766 4.350 0.310 0.000 0.250 158 T C 1.508 176.105 174.700 -0.171 0.000 1.041 158 T CA 0.567 62.520 62.100 -0.245 0.000 1.010 158 T CB 0.837 69.370 68.868 -0.558 0.000 1.003 158 T HN 0.359 nan 8.240 nan 0.000 0.499 159 G N 1.558 110.286 108.800 -0.119 0.000 2.184 159 G HA2 -0.210 3.936 3.960 0.310 0.000 0.264 159 G HA3 -0.210 3.936 3.960 0.310 0.000 0.264 159 G C -0.010 174.864 174.900 -0.042 0.000 0.975 159 G CA 0.356 45.419 45.100 -0.061 0.000 0.642 159 G HN 0.677 nan 8.290 nan 0.000 0.536 160 I N 0.513 121.042 120.570 -0.069 0.000 2.377 160 I HA 0.344 4.699 4.170 0.310 0.000 0.293 160 I C 0.681 176.901 176.117 0.172 0.000 0.987 160 I CA -0.952 60.378 61.300 0.051 0.000 1.185 160 I CB 1.708 39.762 38.000 0.091 0.000 1.341 160 I HN 0.052 nan 8.210 nan 0.000 0.455 161 K N 3.946 124.422 120.400 0.126 0.000 2.448 161 K HA 0.232 4.738 4.320 0.310 0.000 0.278 161 K C 0.281 176.955 176.600 0.124 0.000 1.009 161 K CA -0.113 56.207 56.287 0.055 0.000 0.995 161 K CB 0.678 33.065 32.500 -0.188 0.000 0.917 161 K HN 0.840 nan 8.250 nan 0.000 0.481 162 G N 1.640 110.460 108.800 0.033 0.000 2.503 162 G HA2 0.402 4.548 3.960 0.310 0.000 0.257 162 G HA3 0.402 4.548 3.960 0.310 0.000 0.257 162 G C 0.024 174.698 174.900 -0.377 0.000 1.214 162 G CA -0.263 44.624 45.100 -0.355 0.000 0.839 162 G HN 0.729 nan 8.290 nan 0.000 0.559 163 A N 1.072 123.397 122.820 -0.826 0.000 2.574 163 A HA 0.459 4.965 4.320 0.310 0.000 0.283 163 A C 0.983 178.188 177.584 -0.632 0.000 1.270 163 A CA -0.372 51.334 52.037 -0.552 0.000 0.945 163 A CB -0.033 18.594 19.000 -0.621 0.000 1.127 163 A HN 0.493 nan 8.150 nan 0.000 0.522 164 F N 0.088 119.802 119.950 -0.394 0.000 2.604 164 F HA 0.093 4.807 4.527 0.311 0.000 0.298 164 F C 2.020 177.627 175.800 -0.322 0.000 1.131 164 F CA 0.762 58.462 58.000 -0.502 0.000 1.457 164 F CB -0.108 38.709 39.000 -0.305 0.000 1.095 164 F HN 0.173 nan 8.300 nan 0.000 0.574 165 R N -0.073 120.422 120.500 -0.008 0.000 2.388 165 R HA 0.102 4.628 4.340 0.310 0.000 0.247 165 R C 0.718 177.100 176.300 0.137 0.000 0.931 165 R CA 0.153 56.308 56.100 0.092 0.000 1.082 165 R CB -0.190 30.157 30.300 0.079 0.000 1.135 165 R HN 0.209 nan 8.270 nan 0.000 0.525 166 T N -1.539 113.074 114.554 0.098 0.000 2.816 166 T HA 0.413 4.949 4.350 0.310 0.000 0.282 166 T C 0.371 175.147 174.700 0.125 0.000 0.993 166 T CA -0.672 61.491 62.100 0.105 0.000 0.994 166 T CB 1.710 70.707 68.868 0.215 0.000 1.025 166 T HN 0.034 nan 8.240 nan 0.000 0.529 167 R N -0.164 120.323 120.500 -0.021 0.000 2.919 167 R HA 0.762 5.288 4.340 0.310 0.000 0.260 167 R C -0.462 175.789 176.300 -0.082 0.000 1.067 167 R CA -1.056 55.050 56.100 0.009 0.000 1.003 167 R CB 1.596 31.957 30.300 0.102 0.000 1.192 167 R HN 0.840 nan 8.270 nan 0.000 0.488 168 I N -1.751 118.860 120.570 0.067 0.000 2.646 168 I HA 0.830 5.186 4.170 0.310 0.000 0.299 168 I C -0.791 175.549 176.117 0.372 0.000 1.036 168 I CA -1.054 60.337 61.300 0.151 0.000 1.074 168 I CB 2.324 40.279 38.000 -0.075 0.000 1.258 168 I HN 0.575 nan 8.210 nan 0.000 0.430 169 A N 4.593 127.666 122.820 0.422 0.000 2.337 169 A HA 0.943 5.448 4.320 0.310 0.000 0.331 169 A C -1.214 176.438 177.584 0.114 0.000 1.137 169 A CA -0.461 51.596 52.037 0.033 0.000 0.807 169 A CB 1.040 19.911 19.000 -0.215 0.000 1.250 169 A HN 0.953 nan 8.150 nan 0.000 0.468 170 Y N -2.028 118.254 120.300 -0.031 0.000 2.677 170 Y HA 0.611 5.328 4.550 0.278 0.000 0.334 170 Y C -1.304 174.602 175.900 0.010 0.000 1.196 170 Y CA -1.455 56.658 58.100 0.021 0.000 1.059 170 Y CB 0.655 39.116 38.460 0.002 0.000 1.315 170 Y HN 0.419 nan 8.280 nan 0.000 0.455 171 V N 2.566 122.644 119.914 0.274 0.000 2.435 171 V HA 0.624 4.930 4.120 0.310 0.000 0.290 171 V C -0.579 175.668 176.094 0.255 0.000 1.030 171 V CA -0.828 61.599 62.300 0.211 0.000 0.881 171 V CB 1.423 33.439 31.823 0.323 0.000 0.983 171 V HN 0.681 nan 8.190 nan 0.000 0.445 172 V N 4.910 124.933 119.914 0.182 0.000 2.459 172 V HA 0.459 4.765 4.120 0.310 0.000 0.295 172 V C -0.163 175.986 176.094 0.091 0.000 1.029 172 V CA -0.525 61.859 62.300 0.142 0.000 0.874 172 V CB 1.591 33.489 31.823 0.125 0.000 0.985 172 V HN 0.936 nan 8.190 nan 0.000 0.438 173 Q N 3.266 123.093 119.800 0.045 0.000 2.357 173 Q HA 0.481 5.007 4.340 0.310 0.000 0.266 173 Q C -0.105 175.832 176.000 -0.105 0.000 1.021 173 Q CA -0.511 55.247 55.803 -0.075 0.000 0.784 173 Q CB 1.669 30.378 28.738 -0.048 0.000 1.243 173 Q HN 0.950 nan 8.270 nan 0.000 0.465 174 T N -0.254 114.216 114.554 -0.140 0.000 2.874 174 T HA 0.448 4.984 4.350 0.310 0.000 0.281 174 T C 0.395 175.016 174.700 -0.131 0.000 0.994 174 T CA -0.158 61.880 62.100 -0.102 0.000 1.015 174 T CB 0.823 69.650 68.868 -0.070 0.000 1.028 174 T HN 0.630 nan 8.240 nan 0.000 0.523 175 N N -0.071 118.576 118.700 -0.088 0.000 2.430 175 N HA 0.550 5.476 4.740 0.310 0.000 0.265 175 N C 0.941 176.405 175.510 -0.077 0.000 1.100 175 N CA -0.308 52.694 53.050 -0.081 0.000 0.961 175 N CB -0.358 nan 38.487 nan 0.000 1.075 175 N HN 1.665 nan 8.380 nan 0.000 0.478 176 G N -0.232 108.515 108.800 -0.088 0.000 2.855 176 G HA2 0.482 4.628 3.960 0.310 0.000 0.352 176 G HA3 0.482 4.628 3.960 0.310 0.000 0.352 176 G C 0.644 175.498 174.900 -0.077 0.000 1.415 176 G CA 0.318 45.373 45.100 -0.075 0.000 0.871 176 G HN 2.791 nan 8.290 nan 0.000 0.543 177 G N -1.716 107.043 108.800 -0.068 0.000 2.662 177 G HA2 0.218 4.364 3.960 0.310 0.000 0.686 177 G HA3 0.218 4.364 3.960 0.310 0.000 0.686 177 G C 0.399 175.224 174.900 -0.125 0.000 1.271 177 G CA 0.742 45.803 45.100 -0.064 0.000 0.816 177 G HN 1.365 nan 8.290 nan 0.000 0.608 178 Q N -0.835 118.857 119.800 -0.180 0.000 2.224 178 Q HA 0.150 4.676 4.340 0.310 0.000 0.203 178 Q C 0.450 175.992 176.000 -0.764 0.000 0.970 178 Q CA 1.395 56.910 55.803 -0.480 0.000 0.865 178 Q CB 0.113 28.506 28.738 -0.576 0.000 0.922 178 Q HN 0.465 nan 8.270 nan 0.000 0.445 179 F N -0.624 119.324 119.950 -0.004 0.000 2.550 179 F HA 0.307 5.018 4.527 0.307 0.000 0.348 179 F C -2.015 173.770 175.800 -0.025 0.000 1.219 179 F CA -2.206 55.801 58.000 0.011 0.000 1.203 179 F CB 1.408 40.402 39.000 -0.010 0.000 1.436 179 F HN -0.072 nan 8.300 nan 0.000 0.541 180 P HA -0.072 nan 4.420 nan 0.000 0.229 180 P C -0.597 176.536 177.300 -0.279 0.000 1.160 180 P CA 1.129 64.096 63.100 -0.222 0.000 0.777 180 P CB 0.050 31.466 31.700 -0.474 0.000 0.814 181 Y N 0.189 120.545 120.300 0.094 0.000 2.331 181 Y HA 0.429 5.161 4.550 0.304 0.000 0.338 181 Y C 0.665 176.597 175.900 0.053 0.000 0.992 181 Y CA -0.702 57.448 58.100 0.083 0.000 1.121 181 Y CB 1.269 39.792 38.460 0.106 0.000 1.184 181 Y HN -0.206 nan 8.280 nan 0.000 0.469 182 E N 3.104 123.389 120.200 0.141 0.000 2.256 182 E HA 0.342 4.878 4.350 0.310 0.000 0.268 182 E C -1.633 174.943 176.600 -0.039 0.000 0.877 182 E CA -1.175 55.241 56.400 0.025 0.000 0.757 182 E CB 2.655 32.345 29.700 -0.015 0.000 1.183 182 E HN 0.416 nan 8.360 nan 0.000 0.418 183 L N 3.649 124.789 121.223 -0.139 0.000 2.276 183 L HA 0.387 4.913 4.340 0.310 0.000 0.286 183 L C -0.706 175.938 176.870 -0.378 0.000 1.061 183 L CA 0.228 54.896 54.840 -0.286 0.000 0.807 183 L CB 0.315 42.097 42.059 -0.462 0.000 1.177 183 L HN 0.473 nan 8.230 nan 0.000 0.429 184 R N 3.432 123.597 120.500 -0.559 0.000 2.888 184 R HA 0.844 5.370 4.340 0.310 0.000 0.266 184 R C -1.518 174.208 176.300 -0.956 0.000 1.020 184 R CA -1.121 54.532 56.100 -0.745 0.000 0.963 184 R CB 2.286 32.157 30.300 -0.716 0.000 1.197 184 R HN 0.432 nan 8.270 nan 0.000 0.481 185 V N 0.975 120.316 119.914 -0.956 0.000 2.789 185 V HA 0.527 4.833 4.120 0.310 0.000 0.311 185 V C -0.553 175.301 176.094 -0.401 0.000 1.073 185 V CA -0.485 61.408 62.300 -0.678 0.000 0.921 185 V CB 2.042 33.445 31.823 -0.699 0.000 1.009 185 V HN 1.043 nan 8.190 nan 0.000 0.426 186 S N 1.811 117.500 115.700 -0.018 0.000 2.685 186 S HA 0.633 5.289 4.470 0.310 0.000 0.282 186 S C -1.173 173.514 174.600 0.146 0.000 1.159 186 S CA -1.011 57.256 58.200 0.111 0.000 0.833 186 S CB 1.914 65.203 63.200 0.148 0.000 1.151 186 S HN 0.531 nan 8.310 nan 0.000 0.485 187 D N 0.794 121.271 120.400 0.128 0.000 2.362 187 D HA 0.125 4.951 4.640 0.310 0.000 0.238 187 D C 1.140 177.435 176.300 -0.009 0.000 1.212 187 D CA 0.111 54.176 54.000 0.107 0.000 0.902 187 D CB -0.012 40.856 40.800 0.114 0.000 1.180 187 D HN 0.764 nan 8.370 nan 0.000 0.445 188 Y N 0.390 120.652 120.300 -0.064 0.000 2.315 188 Y HA -0.190 4.541 4.550 0.301 0.000 0.288 188 Y C 1.073 176.905 175.900 -0.114 0.000 1.154 188 Y CA 1.565 59.555 58.100 -0.184 0.000 1.229 188 Y CB -0.361 38.041 38.460 -0.097 0.000 0.980 188 Y HN 0.237 nan 8.280 nan 0.000 0.540 189 D N -1.112 118.651 120.400 -1.062 0.000 2.340 189 D HA 0.237 5.063 4.640 0.310 0.000 0.217 189 D C 1.795 177.917 176.300 -0.297 0.000 1.081 189 D CA 0.434 53.985 54.000 -0.748 0.000 0.842 189 D CB 0.099 40.486 40.800 -0.688 0.000 0.934 189 D HN 0.559 nan 8.370 nan 0.000 0.511 190 G N -0.706 107.954 108.800 -0.233 0.000 2.254 190 G HA2 -0.285 3.861 3.960 0.310 0.000 0.225 190 G HA3 -0.285 3.861 3.960 0.310 0.000 0.225 190 G C -0.008 174.776 174.900 -0.193 0.000 1.003 190 G CA -0.153 44.816 45.100 -0.219 0.000 0.622 190 G HN 0.340 nan 8.290 nan 0.000 0.507 191 Y N 1.036 121.265 120.300 -0.117 0.000 2.330 191 Y HA 0.418 5.153 4.550 0.310 0.000 0.341 191 Y C 1.535 177.371 175.900 -0.107 0.000 1.278 191 Y CA 0.650 58.684 58.100 -0.111 0.000 1.453 191 Y CB 0.329 38.666 38.460 -0.204 0.000 1.342 191 Y HN 0.261 nan 8.280 nan 0.000 0.590 192 N N 0.802 119.524 118.700 0.037 0.000 2.738 192 N HA -0.257 4.669 4.740 0.310 0.000 0.249 192 N C -0.502 175.090 175.510 0.137 0.000 1.047 192 N CA 0.661 53.697 53.050 -0.024 0.000 0.707 192 N CB -0.888 37.463 38.487 -0.227 0.000 0.937 192 N HN 0.735 nan 8.380 nan 0.000 0.545 193 Q N 0.152 120.004 119.800 0.088 0.000 2.352 193 Q HA 0.368 4.894 4.340 0.310 0.000 0.260 193 Q C -0.214 175.895 176.000 0.182 0.000 0.976 193 Q CA -0.054 55.801 55.803 0.088 0.000 0.881 193 Q CB 0.416 29.178 28.738 0.040 0.000 1.235 193 Q HN 0.322 nan 8.270 nan 0.000 0.419 194 F N 0.156 120.091 119.950 -0.025 0.000 2.643 194 F HA 0.632 5.352 4.527 0.322 0.000 0.314 194 F C -1.671 174.088 175.800 -0.069 0.000 1.096 194 F CA -1.334 56.647 58.000 -0.033 0.000 0.953 194 F CB 0.705 39.702 39.000 -0.005 0.000 1.345 194 F HN 0.137 nan 8.300 nan 0.000 0.468 195 V N 2.646 122.602 119.914 0.071 0.000 2.406 195 V HA 0.220 4.526 4.120 0.310 0.000 0.272 195 V C 0.586 176.685 176.094 0.009 0.000 1.043 195 V CA -0.350 61.910 62.300 -0.065 0.000 0.915 195 V CB 0.975 32.781 31.823 -0.029 0.000 0.988 195 V HN 0.894 nan 8.190 nan 0.000 0.466 196 V N 3.538 123.363 119.914 -0.149 0.000 2.500 196 V HA 0.066 4.372 4.120 0.310 0.000 0.243 196 V C 0.480 176.585 176.094 0.018 0.000 1.039 196 V CA 1.183 63.450 62.300 -0.054 0.000 1.053 196 V CB -0.339 31.351 31.823 -0.221 0.000 0.695 196 V HN 0.991 nan 8.190 nan 0.000 0.463 197 H N -0.514 118.444 119.070 -0.186 0.000 3.086 197 H HA 0.572 5.313 4.556 0.308 0.000 0.353 197 H C -0.615 174.638 175.328 -0.125 0.000 1.134 197 H CA -0.712 55.248 56.048 -0.147 0.000 1.248 197 H CB 1.142 30.786 29.762 -0.196 0.000 1.878 197 H HN 0.111 nan 8.280 nan 0.000 0.527 198 R N 2.768 122.938 120.500 -0.550 0.000 2.589 198 R HA 0.664 5.190 4.340 0.310 0.000 0.293 198 R C -0.996 175.091 176.300 -0.354 0.000 0.963 198 R CA -1.009 54.890 56.100 -0.335 0.000 0.905 198 R CB 2.163 32.253 30.300 -0.350 0.000 1.144 198 R HN 0.494 nan 8.270 nan 0.000 0.459 199 S N 1.330 117.105 115.700 0.125 0.000 2.536 199 S HA 0.396 5.052 4.470 0.310 0.000 0.271 199 S C -2.266 172.653 174.600 0.532 0.000 1.134 199 S CA -1.561 56.841 58.200 0.336 0.000 0.897 199 S CB 1.769 65.158 63.200 0.316 0.000 1.094 199 S HN 0.434 nan 8.310 nan 0.000 0.473 200 P HA 0.105 nan 4.420 nan 0.000 0.236 200 P C -0.298 177.203 177.300 0.334 0.000 1.177 200 P CA 0.638 63.880 63.100 0.237 0.000 0.773 200 P CB 0.238 31.961 31.700 0.039 0.000 0.878 201 Q N -0.556 119.380 119.800 0.228 0.000 2.458 201 Q HA 0.460 4.986 4.340 0.310 0.000 0.282 201 Q C -2.728 172.892 176.000 -0.634 0.000 1.106 201 Q CA -2.815 52.945 55.803 -0.072 0.000 0.814 201 Q CB 0.778 29.552 28.738 0.061 0.000 1.425 201 Q HN -0.085 nan 8.270 nan 0.000 0.437 202 P HA 0.007 nan 4.420 nan 0.000 0.264 202 P C -0.669 176.513 177.300 -0.197 0.000 1.179 202 P CA 0.591 63.136 63.100 -0.926 0.000 0.763 202 P CB 0.354 31.735 31.700 -0.532 0.000 0.806 203 L N 3.716 124.875 121.223 -0.108 0.000 2.334 203 L HA 0.575 5.101 4.340 0.310 0.000 0.276 203 L C 0.295 177.080 176.870 -0.142 0.000 1.014 203 L CA -0.503 54.339 54.840 0.003 0.000 0.815 203 L CB 1.269 43.336 42.059 0.013 0.000 1.268 203 L HN 0.269 nan 8.230 nan 0.000 0.428 204 M N 1.038 120.472 119.600 -0.277 0.000 2.518 204 M HA 0.351 5.017 4.480 0.310 0.000 0.300 204 M C -0.026 175.857 176.300 -0.694 0.000 1.175 204 M CA -0.646 54.130 55.300 -0.872 0.000 0.890 204 M CB 2.225 34.610 32.600 -0.358 0.000 1.710 204 M HN 0.559 nan 8.290 nan 0.000 0.453 205 S N 0.670 115.750 115.700 -1.032 0.000 3.711 205 S HA -0.072 4.584 4.470 0.310 0.000 0.374 205 S C -2.397 172.163 174.600 -0.066 0.000 0.969 205 S CA -0.150 57.899 58.200 -0.252 0.000 1.198 205 S CB -1.885 61.273 63.200 -0.071 0.000 0.903 205 S HN 0.523 nan 8.310 nan 0.000 0.493 206 P HA 0.466 nan 4.420 nan 0.000 0.268 206 P C -0.443 176.878 177.300 0.034 0.000 1.205 206 P CA -0.011 63.072 63.100 -0.028 0.000 0.771 206 P CB 0.825 32.441 31.700 -0.140 0.000 0.858 207 A N 3.297 126.154 122.820 0.060 0.000 2.393 207 A HA 0.550 5.056 4.320 0.310 0.000 0.306 207 A C -1.442 176.273 177.584 0.218 0.000 1.050 207 A CA -0.686 51.480 52.037 0.215 0.000 0.724 207 A CB 0.786 19.974 19.000 0.313 0.000 1.248 207 A HN 0.445 nan 8.150 nan 0.000 0.424 208 W N 2.180 123.617 121.300 0.228 0.000 2.315 208 W HA 0.454 5.274 4.660 0.267 0.000 0.316 208 W C 1.057 177.437 176.519 -0.230 0.000 1.211 208 W CA 0.327 57.693 57.345 0.033 0.000 1.201 208 W CB 1.449 30.927 29.460 0.030 0.000 1.184 208 W HN 0.812 nan 8.180 nan 0.000 0.544 209 S N 3.569 118.937 115.700 -0.552 0.000 2.572 209 S HA 0.137 4.792 4.470 0.310 0.000 0.279 209 S C -1.395 173.051 174.600 -0.256 0.000 1.341 209 S CA -1.004 56.615 58.200 -0.969 0.000 1.043 209 S CB 1.157 63.723 63.200 -1.055 0.000 0.887 209 S HN 0.400 nan 8.310 nan 0.000 0.516 210 P HA -0.080 nan 4.420 nan 0.000 0.225 210 P C 0.570 177.759 177.300 -0.186 0.000 1.148 210 P CA 1.155 64.210 63.100 -0.076 0.000 0.779 210 P CB -0.249 31.450 31.700 -0.001 0.000 0.780 211 D N -1.154 119.102 120.400 -0.241 0.000 2.340 211 D HA 0.068 4.894 4.640 0.310 0.000 0.220 211 D C 1.462 177.573 176.300 -0.315 0.000 1.039 211 D CA 0.455 54.166 54.000 -0.482 0.000 0.866 211 D CB -1.105 39.574 40.800 -0.203 0.000 0.913 211 D HN 0.197 nan 8.370 nan 0.000 0.523 212 G N 0.312 109.031 108.800 -0.134 0.000 2.166 212 G HA2 -0.370 3.776 3.960 0.310 0.000 0.260 212 G HA3 -0.370 3.776 3.960 0.310 0.000 0.260 212 G C 1.092 176.110 174.900 0.196 0.000 0.986 212 G CA 1.024 46.156 45.100 0.054 0.000 0.683 212 G HN 0.721 nan 8.290 nan 0.000 0.527 213 S N -1.478 114.265 115.700 0.071 0.000 2.503 213 S HA 0.415 5.071 4.470 0.310 0.000 0.217 213 S C 0.791 175.429 174.600 0.063 0.000 0.999 213 S CA 0.952 59.196 58.200 0.074 0.000 0.914 213 S CB 0.563 63.774 63.200 0.017 0.000 0.782 213 S HN 0.583 nan 8.310 nan 0.000 0.520 214 K N 0.358 120.759 120.400 0.000 0.000 2.477 214 K HA 0.625 5.131 4.320 0.310 0.000 0.255 214 K C -1.661 174.860 176.600 -0.131 0.000 0.952 214 K CA -0.635 55.620 56.287 -0.053 0.000 0.826 214 K CB 2.182 34.640 32.500 -0.070 0.000 1.331 214 K HN 0.079 nan 8.250 nan 0.000 0.437 215 L N 1.761 122.930 121.223 -0.090 0.000 2.362 215 L HA 0.575 5.101 4.340 0.310 0.000 0.275 215 L C -0.398 176.563 176.870 0.153 0.000 0.998 215 L CA -0.951 53.833 54.840 -0.093 0.000 0.820 215 L CB 1.931 43.830 42.059 -0.267 0.000 1.270 215 L HN 0.748 nan 8.230 nan 0.000 0.415 216 A N 3.416 126.403 122.820 0.278 0.000 2.304 216 A HA 0.767 5.273 4.320 0.310 0.000 0.301 216 A C -1.116 176.506 177.584 0.064 0.000 1.132 216 A CA -0.131 51.953 52.037 0.078 0.000 0.819 216 A CB 0.579 19.564 19.000 -0.025 0.000 1.094 216 A HN 0.697 nan 8.150 nan 0.000 0.492 217 Y N -1.541 118.662 120.300 -0.161 0.000 2.713 217 Y HA 0.620 5.353 4.550 0.303 0.000 0.335 217 Y C -1.220 174.540 175.900 -0.232 0.000 1.222 217 Y CA -1.501 56.482 58.100 -0.196 0.000 1.061 217 Y CB 0.635 38.969 38.460 -0.210 0.000 1.314 217 Y HN 0.421 nan 8.280 nan 0.000 0.453 218 V N 1.660 121.539 119.914 -0.059 0.000 2.435 218 V HA 0.680 4.986 4.120 0.310 0.000 0.290 218 V C -0.260 175.811 176.094 -0.038 0.000 1.030 218 V CA -0.194 62.001 62.300 -0.174 0.000 0.881 218 V CB 1.331 33.060 31.823 -0.157 0.000 0.983 218 V HN 0.919 nan 8.190 nan 0.000 0.445 219 T N 3.292 117.753 114.554 -0.156 0.000 2.876 219 T HA 0.580 5.116 4.350 0.310 0.000 0.289 219 T C -0.274 174.328 174.700 -0.163 0.000 1.014 219 T CA -0.285 61.800 62.100 -0.024 0.000 0.986 219 T CB 0.915 69.815 68.868 0.054 0.000 1.021 219 T HN 0.350 nan 8.240 nan 0.000 0.458 220 F N 1.913 121.838 119.950 -0.042 0.000 2.641 220 F HA 0.229 4.937 4.527 0.301 0.000 0.302 220 F C 2.166 177.960 175.800 -0.011 0.000 1.098 220 F CA -0.353 57.625 58.000 -0.037 0.000 1.318 220 F CB 0.281 39.248 39.000 -0.055 0.000 1.035 220 F HN 0.782 nan 8.300 nan 0.000 0.551 221 E N -0.204 120.082 120.200 0.144 0.000 2.265 221 E HA -0.197 4.339 4.350 0.310 0.000 0.196 221 E C 1.846 178.505 176.600 0.097 0.000 0.996 221 E CA 1.492 57.978 56.400 0.144 0.000 0.832 221 E CB -0.429 29.388 29.700 0.194 0.000 0.756 221 E HN 0.380 nan 8.360 nan 0.000 0.491 222 S N -0.502 115.226 115.700 0.047 0.000 2.561 222 S HA 0.241 4.896 4.470 0.310 0.000 0.225 222 S C 1.618 176.237 174.600 0.033 0.000 0.977 222 S CA 0.389 58.600 58.200 0.019 0.000 0.926 222 S CB 0.234 63.413 63.200 -0.034 0.000 0.769 222 S HN 0.619 nan 8.310 nan 0.000 0.533 223 G N 1.478 110.321 108.800 0.072 0.000 2.213 223 G HA2 -0.205 3.941 3.960 0.310 0.000 0.226 223 G HA3 -0.205 3.941 3.960 0.310 0.000 0.226 223 G C 0.051 175.024 174.900 0.121 0.000 0.992 223 G CA -0.105 45.048 45.100 0.089 0.000 0.632 223 G HN 0.945 nan 8.290 nan 0.000 0.511 224 R N -0.545 119.999 120.500 0.073 0.000 2.766 224 R HA 0.698 5.224 4.340 0.310 0.000 0.270 224 R C 0.086 176.221 176.300 -0.275 0.000 1.035 224 R CA -0.047 56.073 56.100 0.033 0.000 0.911 224 R CB 0.376 30.675 30.300 -0.002 0.000 1.243 224 R HN 0.817 nan 8.270 nan 0.000 0.460 225 S N 0.210 115.566 115.700 -0.574 0.000 2.562 225 S HA 0.567 5.223 4.470 0.310 0.000 0.281 225 S C -0.031 174.258 174.600 -0.518 0.000 1.333 225 S CA -0.163 57.480 58.200 -0.929 0.000 1.052 225 S CB 1.156 63.804 63.200 -0.920 0.000 0.884 225 S HN 0.825 nan 8.310 nan 0.000 0.506 226 A N 2.368 124.889 122.820 -0.498 0.000 2.422 226 A HA 0.681 5.187 4.320 0.310 0.000 0.302 226 A C -1.048 176.273 177.584 -0.439 0.000 1.041 226 A CA -0.837 50.958 52.037 -0.403 0.000 0.708 226 A CB 1.353 20.158 19.000 -0.324 0.000 1.257 226 A HN 1.029 nan 8.150 nan 0.000 0.414 227 L N 3.472 124.426 121.223 -0.448 0.000 2.282 227 L HA 0.787 5.313 4.340 0.310 0.000 0.288 227 L C -0.268 176.303 176.870 -0.498 0.000 1.033 227 L CA -0.243 54.307 54.840 -0.482 0.000 0.807 227 L CB 1.483 43.233 42.059 -0.515 0.000 1.209 227 L HN 1.044 nan 8.230 nan 0.000 0.423 228 V N 2.905 122.473 119.914 -0.577 0.000 3.102 228 V HA 0.674 4.980 4.120 0.310 0.000 0.312 228 V C -0.597 175.192 176.094 -0.509 0.000 1.135 228 V CA -0.791 61.177 62.300 -0.553 0.000 1.022 228 V CB 2.076 33.520 31.823 -0.632 0.000 1.056 228 V HN 0.661 nan 8.190 nan 0.000 0.436 229 I N 2.125 122.506 120.570 -0.315 0.000 2.418 229 I HA 0.534 4.890 4.170 0.310 0.000 0.287 229 I C -0.460 175.603 176.117 -0.091 0.000 1.008 229 I CA -0.308 60.913 61.300 -0.131 0.000 1.104 229 I CB 1.820 39.833 38.000 0.021 0.000 1.264 229 I HN 0.832 nan 8.210 nan 0.000 0.438 230 Q N 4.406 124.199 119.800 -0.011 0.000 2.316 230 Q HA 0.418 4.944 4.340 0.310 0.000 0.264 230 Q C -1.024 175.007 176.000 0.052 0.000 0.987 230 Q CA -0.589 55.240 55.803 0.045 0.000 0.852 230 Q CB 1.798 30.634 28.738 0.164 0.000 1.287 230 Q HN 0.592 nan 8.270 nan 0.000 0.448 231 T N 5.254 119.833 114.554 0.042 0.000 2.761 231 T HA 0.180 4.716 4.350 0.310 0.000 0.296 231 T C 1.357 176.095 174.700 0.063 0.000 0.934 231 T CA -0.183 61.942 62.100 0.043 0.000 1.091 231 T CB 0.476 69.363 68.868 0.031 0.000 0.896 231 T HN 0.623 nan 8.240 nan 0.000 0.515 232 L N 2.399 123.671 121.223 0.083 0.000 2.093 232 L HA -0.055 4.471 4.340 0.310 0.000 0.208 232 L C 2.847 179.770 176.870 0.088 0.000 1.085 232 L CA 1.058 55.979 54.840 0.136 0.000 0.755 232 L CB -0.622 41.569 42.059 0.221 0.000 0.904 232 L HN 0.756 nan 8.230 nan 0.000 0.435 233 A N 1.239 124.089 122.820 0.049 0.000 1.972 233 A HA -0.186 4.320 4.320 0.310 0.000 0.219 233 A C 1.782 179.365 177.584 -0.001 0.000 1.169 233 A CA 2.098 54.139 52.037 0.005 0.000 0.635 233 A CB -0.422 18.582 19.000 0.007 0.000 0.810 233 A HN 0.678 nan 8.150 nan 0.000 0.446 234 N N -3.631 115.079 118.700 0.017 0.000 2.143 234 N HA 0.258 5.184 4.740 0.310 0.000 0.222 234 N C 0.872 176.398 175.510 0.026 0.000 1.264 234 N CA 1.037 54.095 53.050 0.013 0.000 0.897 234 N CB -0.148 38.345 38.487 0.009 0.000 1.092 234 N HN 0.776 nan 8.380 nan 0.000 0.516 235 G N -0.154 108.673 108.800 0.045 0.000 2.159 235 G HA2 -0.194 3.952 3.960 0.310 0.000 0.256 235 G HA3 -0.194 3.952 3.960 0.310 0.000 0.256 235 G C 0.344 175.271 174.900 0.046 0.000 0.977 235 G CA 0.195 45.330 45.100 0.059 0.000 0.652 235 G HN 0.857 nan 8.290 nan 0.000 0.531 236 A N -0.345 122.493 122.820 0.029 0.000 2.520 236 A HA 0.560 5.066 4.320 0.310 0.000 0.245 236 A C 0.486 178.072 177.584 0.003 0.000 1.072 236 A CA 0.789 52.833 52.037 0.012 0.000 0.761 236 A CB 0.727 19.731 19.000 0.007 0.000 1.004 236 A HN 1.204 nan 8.150 nan 0.000 0.499 237 V N 4.066 123.969 119.914 -0.019 0.000 2.448 237 V HA 0.472 4.778 4.120 0.310 0.000 0.295 237 V C 0.393 176.438 176.094 -0.081 0.000 1.025 237 V CA -0.614 61.650 62.300 -0.060 0.000 0.859 237 V CB 1.481 33.258 31.823 -0.076 0.000 0.988 237 V HN 0.959 nan 8.190 nan 0.000 0.431 238 R N 3.875 124.313 120.500 -0.104 0.000 2.295 238 R HA 0.402 4.928 4.340 0.310 0.000 0.324 238 R C -0.652 175.543 176.300 -0.176 0.000 0.968 238 R CA -0.691 55.342 56.100 -0.111 0.000 0.837 238 R CB 1.059 31.312 30.300 -0.077 0.000 1.133 238 R HN 0.641 nan 8.270 nan 0.000 0.450 239 Q N 3.243 122.935 119.800 -0.180 0.000 2.296 239 Q HA 0.078 4.604 4.340 0.310 0.000 0.262 239 Q C 0.570 176.420 176.000 -0.250 0.000 0.981 239 Q CA -0.028 55.635 55.803 -0.234 0.000 0.905 239 Q CB 1.857 30.468 28.738 -0.211 0.000 1.186 239 Q HN 0.540 nan 8.270 nan 0.000 0.399 240 V N 0.932 120.650 119.914 -0.326 0.000 2.521 240 V HA 0.286 4.592 4.120 0.310 0.000 0.239 240 V C 0.366 176.226 176.094 -0.390 0.000 1.053 240 V CA 1.221 63.301 62.300 -0.366 0.000 1.073 240 V CB 0.309 31.825 31.823 -0.512 0.000 0.746 240 V HN 0.791 nan 8.190 nan 0.000 0.476 241 A N -1.014 121.541 122.820 -0.442 0.000 2.513 241 A HA 0.693 5.199 4.320 0.310 0.000 0.296 241 A C -0.443 176.887 177.584 -0.423 0.000 1.052 241 A CA 0.063 51.848 52.037 -0.421 0.000 0.714 241 A CB 1.818 20.675 19.000 -0.239 0.000 1.279 241 A HN 0.008 nan 8.150 nan 0.000 0.397 242 S N 2.059 117.441 115.700 -0.529 0.000 2.472 242 S HA 0.507 5.163 4.470 0.310 0.000 0.191 242 S C -0.698 173.675 174.600 -0.377 0.000 1.244 242 S CA -0.335 57.636 58.200 -0.381 0.000 1.227 242 S CB -0.686 62.322 63.200 -0.320 0.000 1.381 242 S HN 0.488 nan 8.310 nan 0.000 0.394 243 F N 2.335 122.184 119.950 -0.168 0.000 2.435 243 F HA 0.393 5.104 4.527 0.307 0.000 0.316 243 F C -1.632 174.108 175.800 -0.100 0.000 1.220 243 F CA -1.747 56.178 58.000 -0.124 0.000 1.241 243 F CB -0.123 38.797 39.000 -0.133 0.000 1.234 243 F HN 0.213 nan 8.300 nan 0.000 0.569 244 P HA 0.118 nan 4.420 nan 0.000 0.268 244 P C -0.429 176.916 177.300 0.075 0.000 1.208 244 P CA 0.211 63.354 63.100 0.072 0.000 0.777 244 P CB 0.474 32.215 31.700 0.067 0.000 0.875 245 R N -1.427 119.112 120.500 0.066 0.000 4.014 245 R HA -0.243 4.283 4.340 0.310 0.000 0.367 245 R C 0.279 176.646 176.300 0.112 0.000 0.241 245 R CA 0.549 56.706 56.100 0.096 0.000 1.193 245 R CB -1.806 28.549 30.300 0.093 0.000 1.065 245 R HN 0.651 nan 8.270 nan 0.000 0.531 246 H N 1.924 121.011 119.070 0.029 0.000 2.487 246 H HA 0.397 5.135 4.556 0.303 0.000 0.333 246 H C -0.648 174.677 175.328 -0.005 0.000 1.114 246 H CA -0.147 55.907 56.048 0.011 0.000 1.310 246 H CB 0.715 30.510 29.762 0.055 0.000 1.462 246 H HN 0.289 nan 8.280 nan 0.000 0.516 247 N N 3.457 121.756 118.700 -0.668 0.000 2.504 247 N HA 0.436 5.362 4.740 0.310 0.000 0.280 247 N C -0.798 174.301 175.510 -0.685 0.000 1.052 247 N CA -0.246 52.520 53.050 -0.472 0.000 0.887 247 N CB 2.091 40.370 38.487 -0.346 0.000 1.323 247 N HN 0.831 nan 8.380 nan 0.000 0.509 248 G N -0.111 108.461 108.800 -0.379 0.000 2.494 248 G HA2 0.541 4.687 3.960 0.310 0.000 0.308 248 G HA3 0.541 4.687 3.960 0.310 0.000 0.308 248 G C -1.004 173.929 174.900 0.056 0.000 1.263 248 G CA 0.085 45.058 45.100 -0.212 0.000 0.840 248 G HN 0.597 nan 8.290 nan 0.000 0.479 249 A N -0.192 122.694 122.820 0.110 0.000 2.610 249 A HA -0.016 4.490 4.320 0.310 0.000 0.299 249 A C -1.775 175.887 177.584 0.130 0.000 1.487 249 A CA 1.080 53.201 52.037 0.140 0.000 0.743 249 A CB -1.858 17.245 19.000 0.171 0.000 1.070 249 A HN 0.790 nan 8.150 nan 0.000 0.439 250 P HA 0.549 nan 4.420 nan 0.000 0.277 250 P C -0.287 177.092 177.300 0.131 0.000 1.240 250 P CA 0.519 63.667 63.100 0.081 0.000 0.798 250 P CB 1.545 33.212 31.700 -0.056 0.000 0.979 251 A N 2.399 125.322 122.820 0.170 0.000 2.456 251 A HA 0.566 5.072 4.320 0.310 0.000 0.288 251 A C -1.105 176.761 177.584 0.471 0.000 1.042 251 A CA -0.520 51.722 52.037 0.343 0.000 0.738 251 A CB 0.396 19.599 19.000 0.338 0.000 1.266 251 A HN 0.290 nan 8.150 nan 0.000 0.407 252 F N 2.250 122.407 119.950 0.345 0.000 2.443 252 F HA 0.390 5.095 4.527 0.296 0.000 0.353 252 F C 1.573 177.285 175.800 -0.146 0.000 1.101 252 F CA 0.636 58.739 58.000 0.171 0.000 1.226 252 F CB 1.443 40.504 39.000 0.100 0.000 1.140 252 F HN 0.637 nan 8.300 nan 0.000 0.557 253 S N 3.490 118.895 115.700 -0.492 0.000 2.562 253 S HA 0.144 4.800 4.470 0.310 0.000 0.281 253 S C -1.937 172.401 174.600 -0.438 0.000 1.333 253 S CA -1.096 56.336 58.200 -1.281 0.000 1.052 253 S CB 1.023 63.356 63.200 -1.445 0.000 0.884 253 S HN 0.394 nan 8.310 nan 0.000 0.506 254 P HA -0.112 nan 4.420 nan 0.000 0.219 254 P C 0.794 178.054 177.300 -0.067 0.000 1.146 254 P CA 1.355 64.400 63.100 -0.092 0.000 0.808 254 P CB -0.187 31.498 31.700 -0.026 0.000 0.779 255 D N -1.620 118.707 120.400 -0.122 0.000 2.363 255 D HA 0.043 4.869 4.640 0.310 0.000 0.226 255 D C 1.480 177.759 176.300 -0.035 0.000 1.020 255 D CA 0.745 54.707 54.000 -0.063 0.000 0.892 255 D CB -1.048 39.711 40.800 -0.069 0.000 0.900 255 D HN 0.230 nan 8.370 nan 0.000 0.531 256 G N -0.027 108.752 108.800 -0.035 0.000 2.179 256 G HA2 -0.367 3.779 3.960 0.310 0.000 0.260 256 G HA3 -0.367 3.779 3.960 0.310 0.000 0.260 256 G C 1.175 176.099 174.900 0.041 0.000 0.977 256 G CA 0.937 46.052 45.100 0.025 0.000 0.641 256 G HN 0.716 nan 8.290 nan 0.000 0.533 257 S N -1.146 114.545 115.700 -0.014 0.000 2.486 257 S HA 0.431 5.087 4.470 0.310 0.000 0.220 257 S C 0.816 175.432 174.600 0.027 0.000 1.011 257 S CA 1.159 59.363 58.200 0.006 0.000 0.921 257 S CB 0.543 63.733 63.200 -0.017 0.000 0.785 257 S HN 0.581 nan 8.310 nan 0.000 0.517 258 K N 0.032 120.427 120.400 -0.008 0.000 2.482 258 K HA 0.640 5.146 4.320 0.310 0.000 0.257 258 K C -2.057 174.601 176.600 0.097 0.000 0.969 258 K CA -0.797 55.521 56.287 0.052 0.000 0.842 258 K CB 2.152 34.682 32.500 0.049 0.000 1.359 258 K HN 0.114 nan 8.250 nan 0.000 0.441 259 L N 1.655 122.973 121.223 0.157 0.000 2.349 259 L HA 0.605 5.131 4.340 0.310 0.000 0.278 259 L C -1.064 176.031 176.870 0.375 0.000 0.996 259 L CA -0.190 54.727 54.840 0.128 0.000 0.825 259 L CB 1.492 43.477 42.059 -0.124 0.000 1.243 259 L HN 0.806 nan 8.230 nan 0.000 0.412 260 A N 4.698 127.786 122.820 0.447 0.000 2.316 260 A HA 0.827 5.333 4.320 0.310 0.000 0.284 260 A C -0.826 176.875 177.584 0.195 0.000 1.115 260 A CA -0.176 51.949 52.037 0.147 0.000 0.812 260 A CB 0.206 19.124 19.000 -0.137 0.000 1.064 260 A HN 0.800 nan 8.150 nan 0.000 0.489 261 F N -1.676 118.268 119.950 -0.010 0.000 2.877 261 F HA 0.763 5.472 4.527 0.303 0.000 0.319 261 F C -0.360 175.456 175.800 0.026 0.000 1.174 261 F CA -0.830 57.160 58.000 -0.018 0.000 0.903 261 F CB 1.071 40.036 39.000 -0.059 0.000 1.357 261 F HN 0.786 nan 8.300 nan 0.000 0.472 262 A N 1.481 124.443 122.820 0.238 0.000 2.342 262 A HA 0.887 5.393 4.320 0.310 0.000 0.323 262 A C -1.564 176.149 177.584 0.215 0.000 1.125 262 A CA -0.803 51.344 52.037 0.183 0.000 0.785 262 A CB 1.266 20.360 19.000 0.157 0.000 1.221 262 A HN 0.779 nan 8.150 nan 0.000 0.463 263 L N 1.676 123.001 121.223 0.170 0.000 2.381 263 L HA 0.519 5.045 4.340 0.310 0.000 0.268 263 L C 0.797 177.727 176.870 0.101 0.000 0.997 263 L CA -0.523 54.330 54.840 0.022 0.000 0.818 263 L CB 2.583 44.405 42.059 -0.395 0.000 1.310 263 L HN 0.834 nan 8.230 nan 0.000 0.416 264 S N -0.862 114.893 115.700 0.092 0.000 2.602 264 S HA 0.032 4.688 4.470 0.310 0.000 0.240 264 S C 1.128 175.759 174.600 0.053 0.000 0.992 264 S CA -0.550 57.706 58.200 0.093 0.000 0.971 264 S CB -0.093 63.181 63.200 0.123 0.000 0.855 264 S HN 0.764 nan 8.310 nan 0.000 0.481 265 K N 1.688 122.091 120.400 0.005 0.000 2.211 265 K HA -0.143 4.363 4.320 0.310 0.000 0.204 265 K C 1.757 178.358 176.600 0.000 0.000 1.047 265 K CA 1.900 58.182 56.287 -0.007 0.000 0.935 265 K CB -1.305 31.149 32.500 -0.077 0.000 0.728 265 K HN 0.489 nan 8.250 nan 0.000 0.452 266 T N -3.403 111.158 114.554 0.011 0.000 3.118 266 T HA 0.199 4.735 4.350 0.310 0.000 0.260 266 T C 1.487 176.195 174.700 0.013 0.000 1.139 266 T CA 0.569 62.676 62.100 0.012 0.000 1.085 266 T CB 0.130 69.010 68.868 0.020 0.000 0.934 266 T HN 0.551 nan 8.240 nan 0.000 0.518 267 G N 0.495 109.308 108.800 0.022 0.000 2.229 267 G HA2 -0.045 4.101 3.960 0.310 0.000 0.189 267 G HA3 -0.045 4.101 3.960 0.310 0.000 0.189 267 G C 0.169 175.081 174.900 0.021 0.000 1.000 267 G CA 0.119 45.231 45.100 0.020 0.000 0.663 267 G HN 1.482 nan 8.290 nan 0.000 0.493 268 S N -0.791 114.924 115.700 0.025 0.000 2.596 268 S HA 0.754 5.410 4.470 0.310 0.000 0.270 268 S C -0.518 174.108 174.600 0.043 0.000 1.155 268 S CA -0.929 57.286 58.200 0.025 0.000 0.827 268 S CB 1.739 64.943 63.200 0.006 0.000 1.130 268 S HN 0.781 nan 8.310 nan 0.000 0.467 269 L N 2.452 123.705 121.223 0.050 0.000 2.410 269 L HA 0.419 4.945 4.340 0.310 0.000 0.273 269 L C 0.269 177.161 176.870 0.036 0.000 1.152 269 L CA 0.010 54.895 54.840 0.075 0.000 0.855 269 L CB 0.071 42.181 42.059 0.085 0.000 1.129 269 L HN 0.625 nan 8.230 nan 0.000 0.463 270 N N 2.959 121.694 118.700 0.059 0.000 2.357 270 N HA 0.544 5.470 4.740 0.310 0.000 0.284 270 N C -1.069 174.379 175.510 -0.104 0.000 1.236 270 N CA -0.662 52.343 53.050 -0.076 0.000 0.774 270 N CB 2.358 40.754 38.487 -0.153 0.000 1.534 270 N HN 0.319 nan 8.380 nan 0.000 0.478 271 L N 1.644 122.644 121.223 -0.372 0.000 2.350 271 L HA 0.445 4.970 4.340 0.310 0.000 0.275 271 L C -0.881 175.608 176.870 -0.635 0.000 1.099 271 L CA -0.339 54.250 54.840 -0.418 0.000 0.808 271 L CB 0.245 41.958 42.059 -0.576 0.000 1.149 271 L HN 0.433 nan 8.230 nan 0.000 0.442 272 Y N 0.932 120.874 120.300 -0.597 0.000 2.581 272 Y HA 0.638 5.372 4.550 0.307 0.000 0.345 272 Y C -0.183 175.230 175.900 -0.812 0.000 1.036 272 Y CA -1.097 56.590 58.100 -0.689 0.000 1.042 272 Y CB 2.254 40.214 38.460 -0.834 0.000 1.289 272 Y HN 0.255 nan 8.280 nan 0.000 0.471 273 V N 0.054 119.775 119.914 -0.322 0.000 2.709 273 V HA 0.661 4.967 4.120 0.310 0.000 0.308 273 V C -0.839 175.294 176.094 0.066 0.000 1.062 273 V CA -1.040 61.189 62.300 -0.118 0.000 0.901 273 V CB 1.922 33.774 31.823 0.048 0.000 1.003 273 V HN 0.863 nan 8.190 nan 0.000 0.425 274 M N 3.127 122.880 119.600 0.255 0.000 2.294 274 M HA 0.522 5.188 4.480 0.310 0.000 0.335 274 M C -0.724 175.677 176.300 0.167 0.000 1.079 274 M CA -0.403 55.053 55.300 0.261 0.000 0.982 274 M CB 1.432 34.241 32.600 0.348 0.000 1.651 274 M HN 1.037 nan 8.290 nan 0.000 0.437 275 D N 3.721 124.193 120.400 0.120 0.000 2.339 275 D HA 0.145 4.971 4.640 0.310 0.000 0.256 275 D C 0.799 177.148 176.300 0.081 0.000 1.214 275 D CA 0.026 54.079 54.000 0.088 0.000 0.877 275 D CB 0.655 41.496 40.800 0.067 0.000 1.111 275 D HN 0.681 nan 8.370 nan 0.000 0.478 276 L N 3.644 124.916 121.223 0.081 0.000 2.083 276 L HA -0.114 4.412 4.340 0.310 0.000 0.209 276 L C 2.377 179.283 176.870 0.059 0.000 1.083 276 L CA 1.142 56.029 54.840 0.079 0.000 0.752 276 L CB -0.422 41.705 42.059 0.114 0.000 0.899 276 L HN 0.571 nan 8.230 nan 0.000 0.433 277 A N 0.093 122.944 122.820 0.052 0.000 1.877 277 A HA -0.209 4.296 4.320 0.310 0.000 0.216 277 A C 2.498 180.101 177.584 0.032 0.000 1.186 277 A CA 2.178 54.238 52.037 0.039 0.000 0.620 277 A CB -0.585 18.435 19.000 0.034 0.000 0.822 277 A HN 0.505 nan 8.150 nan 0.000 0.443 278 S N -2.720 113.002 115.700 0.036 0.000 2.486 278 S HA 0.382 5.038 4.470 0.310 0.000 0.220 278 S C 1.557 176.177 174.600 0.032 0.000 1.011 278 S CA 1.182 59.400 58.200 0.031 0.000 0.921 278 S CB -0.048 63.172 63.200 0.033 0.000 0.785 278 S HN 1.957 nan 8.310 nan 0.000 0.517 279 G N 0.850 109.674 108.800 0.041 0.000 2.179 279 G HA2 -0.332 3.814 3.960 0.310 0.000 0.260 279 G HA3 -0.332 3.814 3.960 0.310 0.000 0.260 279 G C -0.036 174.903 174.900 0.065 0.000 0.977 279 G CA 0.360 45.486 45.100 0.042 0.000 0.641 279 G HN 0.826 nan 8.290 nan 0.000 0.533 280 Q N 0.466 120.307 119.800 0.068 0.000 2.289 280 Q HA 0.568 5.094 4.340 0.310 0.000 0.273 280 Q C 0.344 176.410 176.000 0.110 0.000 1.029 280 Q CA 0.030 55.880 55.803 0.077 0.000 0.896 280 Q CB 0.241 29.014 28.738 0.059 0.000 1.182 280 Q HN 0.471 nan 8.270 nan 0.000 0.385 281 I N 4.598 125.246 120.570 0.131 0.000 2.377 281 I HA 0.479 4.835 4.170 0.310 0.000 0.293 281 I C 0.082 176.270 176.117 0.118 0.000 0.987 281 I CA -0.829 60.573 61.300 0.170 0.000 1.185 281 I CB 1.323 39.468 38.000 0.243 0.000 1.341 281 I HN 0.480 nan 8.210 nan 0.000 0.455 282 R N 4.754 125.305 120.500 0.086 0.000 2.599 282 R HA 0.339 4.865 4.340 0.310 0.000 0.295 282 R C -0.840 175.426 176.300 -0.056 0.000 0.963 282 R CA -0.839 55.274 56.100 0.021 0.000 0.883 282 R CB 2.258 32.553 30.300 -0.008 0.000 1.171 282 R HN 0.627 nan 8.270 nan 0.000 0.450 283 Q N 1.845 121.553 119.800 -0.153 0.000 2.304 283 Q HA 0.167 4.692 4.340 0.310 0.000 0.260 283 Q C 0.075 175.808 176.000 -0.446 0.000 0.965 283 Q CA -0.131 55.341 55.803 -0.551 0.000 0.898 283 Q CB 1.253 29.679 28.738 -0.520 0.000 1.196 283 Q HN 0.415 nan 8.270 nan 0.000 0.402 284 V N 2.316 121.896 119.914 -0.557 0.000 2.788 284 V HA 0.045 4.351 4.120 0.310 0.000 0.241 284 V C 0.735 176.594 176.094 -0.391 0.000 1.083 284 V CA 1.335 63.395 62.300 -0.400 0.000 1.103 284 V CB 0.879 32.464 31.823 -0.397 0.000 0.800 284 V HN 0.956 nan 8.190 nan 0.000 0.476 285 T N -2.512 111.753 114.554 -0.481 0.000 2.912 285 T HA 0.576 5.112 4.350 0.310 0.000 0.288 285 T C -0.539 173.959 174.700 -0.337 0.000 1.030 285 T CA -0.364 61.514 62.100 -0.369 0.000 1.020 285 T CB 2.376 71.015 68.868 -0.382 0.000 1.056 285 T HN 0.090 nan 8.240 nan 0.000 0.480 286 D N 0.719 120.987 120.400 -0.220 0.000 2.837 286 D HA 0.291 5.117 4.640 0.310 0.000 0.340 286 D C 0.809 177.043 176.300 -0.109 0.000 1.451 286 D CA -0.356 53.544 54.000 -0.166 0.000 0.798 286 D CB -0.134 40.581 40.800 -0.143 0.000 1.169 286 D HN 0.909 nan 8.370 nan 0.000 0.449 287 G N 0.109 108.845 108.800 -0.107 0.000 2.569 287 G HA2 0.139 4.284 3.960 0.310 0.000 0.249 287 G HA3 0.139 4.284 3.960 0.310 0.000 0.249 287 G C 0.859 175.726 174.900 -0.055 0.000 1.216 287 G CA -0.518 44.537 45.100 -0.074 0.000 0.845 287 G HN 0.230 nan 8.290 nan 0.000 0.568 288 R N -0.064 120.411 120.500 -0.041 0.000 2.236 288 R HA 0.040 4.566 4.340 0.310 0.000 0.208 288 R C 1.786 178.070 176.300 -0.027 0.000 1.036 288 R CA 0.663 56.746 56.100 -0.028 0.000 1.001 288 R CB -0.062 30.225 30.300 -0.021 0.000 0.896 288 R HN 0.593 nan 8.270 nan 0.000 0.464 289 S N 0.751 116.428 115.700 -0.038 0.000 2.617 289 S HA 0.110 4.766 4.470 0.310 0.000 0.259 289 S C 0.106 174.689 174.600 -0.029 0.000 1.301 289 S CA -0.771 57.405 58.200 -0.040 0.000 0.984 289 S CB 0.694 63.852 63.200 -0.070 0.000 0.954 289 S HN 0.070 nan 8.310 nan 0.000 0.572 290 N N 2.206 120.895 118.700 -0.019 0.000 2.426 290 N HA 0.318 5.244 4.740 0.310 0.000 0.275 290 N C -1.166 174.358 175.510 0.024 0.000 1.019 290 N CA -0.346 52.706 53.050 0.004 0.000 0.941 290 N CB 0.650 39.145 38.487 0.012 0.000 1.123 290 N HN 0.576 nan 8.380 nan 0.000 0.486 291 N N 0.988 119.715 118.700 0.045 0.000 2.461 291 N HA 0.322 5.248 4.740 0.310 0.000 0.284 291 N C -0.590 174.974 175.510 0.089 0.000 1.049 291 N CA -0.204 52.919 53.050 0.121 0.000 0.889 291 N CB 2.512 41.006 38.487 0.011 0.000 1.365 291 N HN 0.457 nan 8.380 nan 0.000 0.499 292 T N -0.376 114.287 114.554 0.182 0.000 2.637 292 T HA 0.215 4.751 4.350 0.310 0.000 0.303 292 T C -1.218 173.583 174.700 0.167 0.000 1.288 292 T CA -0.234 61.945 62.100 0.132 0.000 1.040 292 T CB 0.470 69.414 68.868 0.126 0.000 1.644 292 T HN 0.590 nan 8.240 nan 0.000 0.480 293 E N 1.055 121.339 120.200 0.139 0.000 2.252 293 E HA -0.115 4.421 4.350 0.310 0.000 0.218 293 E C -2.524 174.151 176.600 0.126 0.000 1.253 293 E CA 0.230 56.711 56.400 0.135 0.000 0.705 293 E CB -0.984 28.793 29.700 0.127 0.000 1.172 293 E HN 0.378 nan 8.360 nan 0.000 0.369 294 P HA 0.056 nan 4.420 nan 0.000 0.275 294 P C -0.264 177.019 177.300 -0.027 0.000 1.228 294 P CA 0.152 63.247 63.100 -0.008 0.000 0.786 294 P CB 1.737 33.330 31.700 -0.178 0.000 0.927 295 T N 2.002 116.514 114.554 -0.069 0.000 2.952 295 T HA 0.448 4.984 4.350 0.310 0.000 0.305 295 T C -1.539 173.120 174.700 -0.069 0.000 1.064 295 T CA -0.551 61.533 62.100 -0.026 0.000 1.008 295 T CB 0.308 69.181 68.868 0.008 0.000 1.078 295 T HN 0.203 nan 8.240 nan 0.000 0.459 296 W N 3.901 125.237 121.300 0.059 0.000 2.261 296 W HA 0.591 5.430 4.660 0.299 0.000 0.323 296 W C 0.079 176.600 176.519 0.003 0.000 1.243 296 W CA -0.777 56.627 57.345 0.097 0.000 1.210 296 W CB 0.382 29.910 29.460 0.114 0.000 1.149 296 W HN 0.519 nan 8.180 nan 0.000 0.562 297 F N 3.223 123.353 119.950 0.300 0.000 2.403 297 F HA 0.152 4.871 4.527 0.321 0.000 0.320 297 F C -0.858 175.062 175.800 0.199 0.000 1.176 297 F CA -1.905 56.210 58.000 0.191 0.000 1.206 297 F CB -0.102 38.983 39.000 0.142 0.000 1.235 297 F HN 0.218 nan 8.300 nan 0.000 0.565 298 P HA -0.150 nan 4.420 nan 0.000 0.223 298 P C 0.524 177.917 177.300 0.155 0.000 1.144 298 P CA 1.242 64.443 63.100 0.167 0.000 0.783 298 P CB -0.103 31.669 31.700 0.119 0.000 0.771 299 D N -2.201 118.322 120.400 0.205 0.000 2.349 299 D HA -0.012 4.814 4.640 0.310 0.000 0.224 299 D C 0.359 176.737 176.300 0.131 0.000 1.029 299 D CA 0.227 54.314 54.000 0.144 0.000 0.879 299 D CB -0.911 39.967 40.800 0.130 0.000 0.906 299 D HN -0.136 nan 8.370 nan 0.000 0.528 300 S N -0.737 115.063 115.700 0.168 0.000 3.521 300 S HA -0.200 4.456 4.470 0.310 0.000 0.328 300 S C 0.786 175.532 174.600 0.243 0.000 1.165 300 S CA 1.100 59.311 58.200 0.018 0.000 0.941 300 S CB -1.115 61.958 63.200 -0.211 0.000 0.951 300 S HN 0.502 nan 8.310 nan 0.000 0.539 301 Q N -0.667 119.372 119.800 0.398 0.000 2.384 301 Q HA 0.260 4.786 4.340 0.310 0.000 0.264 301 Q C 0.180 176.356 176.000 0.294 0.000 0.825 301 Q CA 0.152 56.153 55.803 0.331 0.000 0.984 301 Q CB 0.228 29.059 28.738 0.156 0.000 1.183 301 Q HN 0.539 nan 8.270 nan 0.000 0.537 302 N N 1.105 119.978 118.700 0.288 0.000 2.405 302 N HA 0.500 5.425 4.740 0.310 0.000 0.299 302 N C -0.803 174.878 175.510 0.285 0.000 1.075 302 N CA -0.172 52.962 53.050 0.141 0.000 0.884 302 N CB 1.941 40.330 38.487 -0.164 0.000 1.194 302 N HN 0.002 nan 8.380 nan 0.000 0.491 303 L N 1.225 122.528 121.223 0.133 0.000 2.346 303 L HA 0.643 5.169 4.340 0.310 0.000 0.274 303 L C 0.145 177.250 176.870 0.391 0.000 1.007 303 L CA -0.916 53.977 54.840 0.089 0.000 0.818 303 L CB 1.849 43.760 42.059 -0.247 0.000 1.284 303 L HN 0.450 nan 8.230 nan 0.000 0.424 304 A N 2.655 125.695 122.820 0.367 0.000 2.303 304 A HA 0.896 5.402 4.320 0.310 0.000 0.317 304 A C -0.905 176.850 177.584 0.284 0.000 1.149 304 A CA -0.232 51.987 52.037 0.304 0.000 0.822 304 A CB 0.781 19.863 19.000 0.136 0.000 1.131 304 A HN 0.613 nan 8.150 nan 0.000 0.493 305 F N -1.561 118.412 119.950 0.039 0.000 2.773 305 F HA 0.659 5.368 4.527 0.303 0.000 0.314 305 F C -0.573 175.253 175.800 0.043 0.000 1.160 305 F CA -0.801 57.202 58.000 0.005 0.000 0.920 305 F CB 0.835 39.807 39.000 -0.047 0.000 1.323 305 F HN 0.351 nan 8.300 nan 0.000 0.457 306 T N 1.748 116.356 114.554 0.089 0.000 2.806 306 T HA 0.546 5.082 4.350 0.310 0.000 0.290 306 T C -0.630 174.074 174.700 0.008 0.000 0.966 306 T CA -0.354 61.740 62.100 -0.009 0.000 1.060 306 T CB 1.069 69.968 68.868 0.052 0.000 0.927 306 T HN 0.774 nan 8.240 nan 0.000 0.485 307 S N 1.277 116.888 115.700 -0.149 0.000 2.536 307 S HA 0.416 5.072 4.470 0.310 0.000 0.287 307 S C -0.242 174.283 174.600 -0.124 0.000 1.101 307 S CA -0.901 57.184 58.200 -0.191 0.000 0.950 307 S CB 1.119 63.929 63.200 -0.649 0.000 1.056 307 S HN 0.778 nan 8.310 nan 0.000 0.481 308 D N 2.322 122.670 120.400 -0.086 0.000 2.427 308 D HA 0.012 4.838 4.640 0.310 0.000 0.224 308 D C 1.433 177.697 176.300 -0.060 0.000 1.157 308 D CA -0.138 53.832 54.000 -0.050 0.000 0.828 308 D CB -0.160 40.625 40.800 -0.025 0.000 0.974 308 D HN 0.720 nan 8.370 nan 0.000 0.498 309 Q N 0.182 119.903 119.800 -0.132 0.000 2.234 309 Q HA -0.134 4.392 4.340 0.310 0.000 0.206 309 Q C 1.564 177.557 176.000 -0.012 0.000 0.980 309 Q CA 1.552 57.295 55.803 -0.100 0.000 0.869 309 Q CB -0.284 28.342 28.738 -0.187 0.000 0.912 309 Q HN 0.255 nan 8.270 nan 0.000 0.436 310 A N 0.151 122.995 122.820 0.040 0.000 2.251 310 A HA 0.507 5.012 4.320 0.310 0.000 0.209 310 A C 1.232 178.835 177.584 0.031 0.000 1.187 310 A CA 0.725 52.799 52.037 0.063 0.000 0.823 310 A CB 0.043 19.095 19.000 0.086 0.000 0.846 310 A HN 0.682 nan 8.150 nan 0.000 0.486 311 G N -0.385 108.423 108.800 0.014 0.000 2.222 311 G HA2 -0.129 4.017 3.960 0.310 0.000 0.218 311 G HA3 -0.129 4.017 3.960 0.310 0.000 0.218 311 G C -0.043 174.857 174.900 0.000 0.000 1.450 311 G CA -0.391 44.714 45.100 0.008 0.000 1.361 311 G HN 0.476 nan 8.290 nan 0.000 0.474 312 R N 2.056 122.556 120.500 -0.001 0.000 2.643 312 R HA 0.408 4.934 4.340 0.310 0.000 0.270 312 R C -2.302 173.989 176.300 -0.015 0.000 1.061 312 R CA -0.968 55.126 56.100 -0.009 0.000 1.107 312 R CB 0.186 30.479 30.300 -0.011 0.000 0.999 312 R HN 0.224 nan 8.270 nan 0.000 0.460 313 P HA -0.107 nan 4.420 nan 0.000 0.264 313 P C -0.758 176.520 177.300 -0.036 0.000 1.179 313 P CA 0.688 63.777 63.100 -0.019 0.000 0.763 313 P CB 0.632 32.321 31.700 -0.019 0.000 0.806 314 Q N 0.768 120.556 119.800 -0.020 0.000 2.553 314 Q HA 0.461 4.987 4.340 0.310 0.000 0.293 314 Q C -1.033 174.925 176.000 -0.070 0.000 1.038 314 Q CA -0.985 54.758 55.803 -0.099 0.000 0.777 314 Q CB 1.835 30.444 28.738 -0.215 0.000 1.487 314 Q HN 0.075 nan 8.270 nan 0.000 0.426 315 V N 1.583 121.379 119.914 -0.196 0.000 2.465 315 V HA 0.373 4.679 4.120 0.310 0.000 0.279 315 V C -0.896 174.990 176.094 -0.346 0.000 1.045 315 V CA -0.287 61.894 62.300 -0.199 0.000 0.938 315 V CB 0.285 32.018 31.823 -0.150 0.000 0.986 315 V HN 0.548 nan 8.190 nan 0.000 0.467 316 Y N 3.053 122.994 120.300 -0.597 0.000 2.598 316 Y HA 0.654 5.388 4.550 0.306 0.000 0.340 316 Y C 0.232 175.901 175.900 -0.385 0.000 1.038 316 Y CA -1.227 56.518 58.100 -0.593 0.000 1.100 316 Y CB 1.974 39.877 38.460 -0.927 0.000 1.281 316 Y HN 0.631 nan 8.280 nan 0.000 0.488 317 K N 0.485 120.910 120.400 0.042 0.000 2.371 317 K HA 0.875 5.381 4.320 0.310 0.000 0.251 317 K C -2.095 174.648 176.600 0.239 0.000 0.934 317 K CA -0.937 55.460 56.287 0.183 0.000 0.798 317 K CB 2.620 35.182 32.500 0.103 0.000 1.204 317 K HN 0.485 nan 8.250 nan 0.000 0.427 318 V N 1.610 121.671 119.914 0.245 0.000 2.932 318 V HA 0.327 4.633 4.120 0.310 0.000 0.307 318 V C -1.638 174.472 176.094 0.026 0.000 1.147 318 V CA -0.891 61.493 62.300 0.140 0.000 0.951 318 V CB 2.280 34.203 31.823 0.166 0.000 1.031 318 V HN 1.026 nan 8.190 nan 0.000 0.426 319 N N 3.464 122.161 118.700 -0.005 0.000 2.472 319 N HA 0.342 5.268 4.740 0.310 0.000 0.277 319 N C 1.342 176.838 175.510 -0.025 0.000 1.081 319 N CA -0.110 52.934 53.050 -0.010 0.000 0.973 319 N CB 1.208 39.689 38.487 -0.010 0.000 1.105 319 N HN 0.735 nan 8.380 nan 0.000 0.470 320 I N 0.565 121.129 120.570 -0.011 0.000 2.756 320 I HA -0.081 4.275 4.170 0.310 0.000 0.262 320 I C 0.524 176.623 176.117 -0.031 0.000 1.225 320 I CA 0.908 62.182 61.300 -0.042 0.000 1.472 320 I CB -0.177 37.832 38.000 0.014 0.000 1.094 320 I HN 0.486 nan 8.210 nan 0.000 0.454 321 N N 1.498 120.195 118.700 -0.005 0.000 2.392 321 N HA 0.230 5.156 4.740 0.310 0.000 0.177 321 N C 0.727 176.226 175.510 -0.019 0.000 1.066 321 N CA 0.950 53.997 53.050 -0.006 0.000 0.895 321 N CB 1.075 39.570 38.487 0.013 0.000 0.988 321 N HN 0.594 nan 8.380 nan 0.000 0.457 322 G N -1.213 107.572 108.800 -0.024 0.000 2.384 322 G HA2 0.446 4.592 3.960 0.310 0.000 0.300 322 G HA3 0.446 4.592 3.960 0.310 0.000 0.300 322 G C -0.770 174.119 174.900 -0.018 0.000 1.582 322 G CA -0.092 44.993 45.100 -0.025 0.000 0.875 322 G HN 0.339 nan 8.290 nan 0.000 0.628 323 G N -1.151 107.639 108.800 -0.017 0.000 2.617 323 G HA2 0.544 4.690 3.960 0.310 0.000 0.686 323 G HA3 0.544 4.690 3.960 0.310 0.000 0.686 323 G C 0.121 175.024 174.900 0.006 0.000 1.214 323 G CA 0.423 45.522 45.100 -0.003 0.000 0.796 323 G HN 2.389 nan 8.290 nan 0.000 0.654 324 A N 1.970 124.804 122.820 0.022 0.000 2.401 324 A HA 0.767 5.273 4.320 0.310 0.000 0.259 324 A C -1.303 176.336 177.584 0.093 0.000 1.103 324 A CA -0.667 51.397 52.037 0.044 0.000 0.789 324 A CB -0.172 18.856 19.000 0.046 0.000 1.035 324 A HN 0.710 nan 8.150 nan 0.000 0.491 325 P HA 0.089 nan 4.420 nan 0.000 0.265 325 P C -0.537 176.933 177.300 0.284 0.000 1.187 325 P CA 0.240 63.503 63.100 0.272 0.000 0.766 325 P CB 0.363 32.300 31.700 0.394 0.000 0.820 326 Q N 2.333 122.267 119.800 0.223 0.000 2.322 326 Q HA 0.275 4.801 4.340 0.310 0.000 0.265 326 Q C -0.306 175.597 176.000 -0.163 0.000 0.985 326 Q CA -0.988 54.868 55.803 0.088 0.000 0.849 326 Q CB 1.074 29.839 28.738 0.044 0.000 1.274 326 Q HN 0.274 nan 8.270 nan 0.000 0.449 327 R N 4.023 124.221 120.500 -0.504 0.000 2.570 327 R HA 0.075 4.601 4.340 0.310 0.000 0.277 327 R C 0.666 176.639 176.300 -0.545 0.000 1.039 327 R CA 0.515 55.910 56.100 -1.175 0.000 1.065 327 R CB 0.267 29.868 30.300 -1.165 0.000 0.964 327 R HN 0.858 nan 8.270 nan 0.000 0.428 328 I N -0.585 119.633 120.570 -0.587 0.000 4.327 328 I HA 0.221 4.576 4.170 0.310 0.000 0.331 328 I C -0.196 175.745 176.117 -0.294 0.000 1.348 328 I CA -0.555 60.614 61.300 -0.219 0.000 1.152 328 I CB 0.947 38.907 38.000 -0.066 0.000 1.151 328 I HN 0.439 nan 8.210 nan 0.000 0.410 329 T N -2.796 111.322 114.554 -0.727 0.000 2.855 329 T HA 0.499 5.035 4.350 0.310 0.000 0.281 329 T C -0.773 173.316 174.700 -1.017 0.000 1.007 329 T CA -0.426 61.316 62.100 -0.596 0.000 1.009 329 T CB 1.515 70.182 68.868 -0.334 0.000 0.983 329 T HN 0.435 nan 8.240 nan 0.000 0.455 330 W N -0.531 120.733 121.300 -0.059 0.000 2.079 330 W HA 0.371 5.219 4.660 0.314 0.000 0.285 330 W C 0.315 176.819 176.519 -0.026 0.000 0.891 330 W CA -0.684 56.634 57.345 -0.045 0.000 1.308 330 W CB 0.091 29.524 29.460 -0.044 0.000 1.047 330 W HN 0.665 nan 8.180 nan 0.000 0.522 331 E N 1.405 121.670 120.200 0.109 0.000 2.414 331 E HA 0.394 4.929 4.350 0.310 0.000 0.263 331 E C 1.356 177.983 176.600 0.046 0.000 1.000 331 E CA 1.691 58.135 56.400 0.073 0.000 0.914 331 E CB 0.275 30.003 29.700 0.047 0.000 0.948 331 E HN 0.203 nan 8.360 nan 0.000 0.444 332 G N 3.669 112.499 108.800 0.050 0.000 2.614 332 G HA2 -0.370 3.776 3.960 0.310 0.000 0.303 332 G HA3 -0.370 3.776 3.960 0.310 0.000 0.303 332 G C 0.773 175.693 174.900 0.033 0.000 1.270 332 G CA 1.017 46.140 45.100 0.037 0.000 0.988 332 G HN 1.206 nan 8.290 nan 0.000 0.551 333 S N -1.093 114.617 115.700 0.016 0.000 2.540 333 S HA 0.511 5.167 4.470 0.310 0.000 0.222 333 S C 0.499 175.093 174.600 -0.009 0.000 1.008 333 S CA 1.221 59.428 58.200 0.011 0.000 0.939 333 S CB 0.867 64.073 63.200 0.011 0.000 0.865 333 S HN 1.299 nan 8.310 nan 0.000 0.499 334 Q N 0.302 120.089 119.800 -0.022 0.000 2.503 334 Q HA 0.413 4.939 4.340 0.310 0.000 0.268 334 Q C -2.343 173.628 176.000 -0.048 0.000 0.982 334 Q CA -0.578 55.202 55.803 -0.039 0.000 0.907 334 Q CB 1.183 29.903 28.738 -0.030 0.000 1.467 334 Q HN 0.314 nan 8.270 nan 0.000 0.394 335 N N 2.782 121.443 118.700 -0.065 0.000 2.308 335 N HA 0.387 5.313 4.740 0.310 0.000 0.283 335 N C -1.698 173.777 175.510 -0.057 0.000 1.105 335 N CA -0.364 52.648 53.050 -0.064 0.000 0.840 335 N CB 2.385 40.817 38.487 -0.090 0.000 1.633 335 N HN 0.729 nan 8.380 nan 0.000 0.476 336 Q N -0.499 119.278 119.800 -0.037 0.000 2.738 336 Q HA 0.306 4.832 4.340 0.310 0.000 0.301 336 Q C -1.592 174.409 176.000 0.002 0.000 0.901 336 Q CA -0.565 55.227 55.803 -0.019 0.000 0.756 336 Q CB 1.374 30.107 28.738 -0.009 0.000 1.463 336 Q HN 0.345 nan 8.270 nan 0.000 0.432 337 D N -0.645 119.771 120.400 0.028 0.000 2.746 337 D HA -0.154 4.672 4.640 0.310 0.000 0.241 337 D C -0.964 175.367 176.300 0.051 0.000 1.140 337 D CA 1.233 55.266 54.000 0.056 0.000 0.707 337 D CB -0.956 39.879 40.800 0.058 0.000 1.034 337 D HN 0.880 nan 8.370 nan 0.000 0.423 338 A N 1.083 123.926 122.820 0.037 0.000 2.287 338 A HA 0.574 5.080 4.320 0.310 0.000 0.273 338 A C 0.089 177.689 177.584 0.027 0.000 1.091 338 A CA -0.127 51.922 52.037 0.020 0.000 0.817 338 A CB 0.940 19.933 19.000 -0.010 0.000 1.069 338 A HN 0.350 nan 8.150 nan 0.000 0.492 339 D N -0.155 120.247 120.400 0.003 0.000 2.736 339 D HA 0.448 5.274 4.640 0.310 0.000 0.243 339 D C -1.173 175.060 176.300 -0.112 0.000 1.304 339 D CA -0.130 53.864 54.000 -0.010 0.000 0.934 339 D CB 1.645 42.474 40.800 0.049 0.000 1.382 339 D HN 0.255 nan 8.370 nan 0.000 0.571 340 V N 3.190 122.983 119.914 -0.202 0.000 2.546 340 V HA 0.355 4.661 4.120 0.310 0.000 0.284 340 V C 0.832 176.701 176.094 -0.374 0.000 1.050 340 V CA -0.604 61.467 62.300 -0.381 0.000 0.981 340 V CB 1.295 32.720 31.823 -0.663 0.000 0.990 340 V HN 0.754 nan 8.190 nan 0.000 0.474 341 S N 3.289 118.640 115.700 -0.582 0.000 2.589 341 S HA 0.043 4.699 4.470 0.310 0.000 0.265 341 S C 1.467 175.857 174.600 -0.350 0.000 1.342 341 S CA 0.099 57.914 58.200 -0.642 0.000 1.005 341 S CB 0.914 63.309 63.200 -1.342 0.000 0.909 341 S HN 1.059 nan 8.310 nan 0.000 0.555 342 S N 0.327 115.876 115.700 -0.252 0.000 2.423 342 S HA -0.151 4.505 4.470 0.310 0.000 0.231 342 S C 1.064 175.625 174.600 -0.065 0.000 1.014 342 S CA 0.951 59.076 58.200 -0.125 0.000 0.965 342 S CB -0.787 62.348 63.200 -0.108 0.000 0.785 342 S HN 0.926 nan 8.310 nan 0.000 0.495 343 D N 0.176 120.526 120.400 -0.083 0.000 2.350 343 D HA 0.256 5.082 4.640 0.310 0.000 0.213 343 D C 1.472 177.773 176.300 0.002 0.000 1.031 343 D CA 0.601 54.594 54.000 -0.012 0.000 0.861 343 D CB -0.705 40.112 40.800 0.028 0.000 0.926 343 D HN 0.555 nan 8.370 nan 0.000 0.520 344 G N 0.805 109.564 108.800 -0.068 0.000 2.184 344 G HA2 -0.348 3.798 3.960 0.310 0.000 0.264 344 G HA3 -0.348 3.798 3.960 0.310 0.000 0.264 344 G C 1.198 176.125 174.900 0.045 0.000 0.975 344 G CA 0.540 45.646 45.100 0.010 0.000 0.642 344 G HN 0.323 nan 8.290 nan 0.000 0.536 345 K N -0.610 119.799 120.400 0.015 0.000 2.296 345 K HA 0.264 4.770 4.320 0.310 0.000 0.200 345 K C 0.915 177.655 176.600 0.232 0.000 1.048 345 K CA 1.408 57.783 56.287 0.148 0.000 0.966 345 K CB -0.125 32.511 32.500 0.227 0.000 0.754 345 K HN 0.938 nan 8.250 nan 0.000 0.466 346 F N -0.741 119.221 119.950 0.020 0.000 2.711 346 F HA 0.552 5.262 4.527 0.305 0.000 0.313 346 F C -1.012 174.765 175.800 -0.038 0.000 1.141 346 F CA -1.760 56.243 58.000 0.005 0.000 0.941 346 F CB 0.940 39.942 39.000 0.003 0.000 1.349 346 F HN -0.183 nan 8.300 nan 0.000 0.464 347 M N 2.277 121.961 119.600 0.139 0.000 2.619 347 M HA 0.874 5.540 4.480 0.310 0.000 0.297 347 M C -1.471 174.945 176.300 0.192 0.000 1.229 347 M CA -1.132 54.173 55.300 0.009 0.000 0.860 347 M CB 2.341 34.906 32.600 -0.058 0.000 1.741 347 M HN 0.835 nan 8.290 nan 0.000 0.462 348 V N 0.423 120.411 119.914 0.123 0.000 2.850 348 V HA 0.907 5.213 4.120 0.310 0.000 0.315 348 V C -0.373 175.751 176.094 0.050 0.000 1.064 348 V CA -0.693 61.674 62.300 0.111 0.000 0.979 348 V CB 1.736 33.635 31.823 0.127 0.000 1.039 348 V HN 1.194 nan 8.190 nan 0.000 0.452 349 M N 1.291 120.908 119.600 0.028 0.000 2.949 349 M HA 0.740 5.406 4.480 0.310 0.000 0.270 349 M C -2.007 174.287 176.300 -0.011 0.000 1.221 349 M CA -0.819 54.486 55.300 0.010 0.000 0.818 349 M CB 1.915 34.515 32.600 -0.001 0.000 1.635 349 M HN 0.361 nan 8.290 nan 0.000 0.492 350 V N 2.047 121.952 119.914 -0.015 0.000 2.350 350 V HA 0.514 4.820 4.120 0.310 0.000 0.276 350 V C -0.364 175.709 176.094 -0.035 0.000 1.028 350 V CA -0.228 62.052 62.300 -0.033 0.000 0.860 350 V CB 1.216 33.019 31.823 -0.033 0.000 0.990 350 V HN 0.823 nan 8.190 nan 0.000 0.453 351 S N 3.338 119.020 115.700 -0.030 0.000 2.454 351 S HA 0.615 5.271 4.470 0.310 0.000 0.306 351 S C -0.147 174.433 174.600 -0.034 0.000 1.100 351 S CA -0.532 57.655 58.200 -0.021 0.000 1.087 351 S CB 1.640 64.843 63.200 0.005 0.000 1.019 351 S HN 0.716 nan 8.310 nan 0.000 0.480 352 S N 3.110 118.788 115.700 -0.037 0.000 2.482 352 S HA 0.795 5.451 4.470 0.310 0.000 0.303 352 S C -0.281 174.308 174.600 -0.019 0.000 1.091 352 S CA -0.992 57.178 58.200 -0.050 0.000 1.057 352 S CB 0.920 64.085 63.200 -0.058 0.000 1.031 352 S HN 0.979 nan 8.310 nan 0.000 0.485 353 N N -0.738 117.954 118.700 -0.014 0.000 4.397 353 N HA 0.249 5.175 4.740 0.310 0.000 0.215 353 N C -0.820 174.704 175.510 0.023 0.000 1.272 353 N CA -1.200 51.854 53.050 0.006 0.000 0.813 353 N CB 0.002 38.499 38.487 0.018 0.000 1.493 353 N HN 0.632 nan 8.380 nan 0.000 0.466 354 G N -0.928 107.889 108.800 0.028 0.000 2.365 354 G HA2 0.492 4.638 3.960 0.310 0.000 0.293 354 G HA3 0.492 4.638 3.960 0.310 0.000 0.293 354 G C 1.123 176.036 174.900 0.022 0.000 1.128 354 G CA 0.187 45.300 45.100 0.020 0.000 0.971 354 G HN 1.740 nan 8.290 nan 0.000 0.422 355 G N 1.473 110.279 108.800 0.010 0.000 2.176 355 G HA2 -0.216 3.930 3.960 0.310 0.000 0.253 355 G HA3 -0.216 3.930 3.960 0.310 0.000 0.253 355 G C 0.289 175.196 174.900 0.012 0.000 0.979 355 G CA 0.282 45.392 45.100 0.017 0.000 0.641 355 G HN 0.764 nan 8.290 nan 0.000 0.530 356 Q N -0.095 119.689 119.800 -0.026 0.000 2.399 356 Q HA 0.645 5.171 4.340 0.310 0.000 0.276 356 Q C -0.051 175.792 176.000 -0.262 0.000 1.098 356 Q CA -0.437 55.294 55.803 -0.120 0.000 0.827 356 Q CB 1.797 30.507 28.738 -0.046 0.000 1.386 356 Q HN 0.807 nan 8.270 nan 0.000 0.443 357 Q N 0.455 119.959 119.800 -0.494 0.000 2.289 357 Q HA 0.713 5.239 4.340 0.310 0.000 0.270 357 Q C -1.364 174.263 176.000 -0.622 0.000 1.038 357 Q CA -0.631 54.922 55.803 -0.417 0.000 0.812 357 Q CB 2.054 30.645 28.738 -0.245 0.000 1.300 357 Q HN 0.670 nan 8.270 nan 0.000 0.427 358 H N 0.635 119.669 119.070 -0.061 0.000 2.977 358 H HA 0.490 5.230 4.556 0.307 0.000 0.350 358 H C -0.646 174.601 175.328 -0.135 0.000 1.238 358 H CA -1.074 54.920 56.048 -0.090 0.000 1.124 358 H CB 1.509 31.238 29.762 -0.056 0.000 1.866 358 H HN 0.504 nan 8.280 nan 0.000 0.550 359 I N 1.646 122.166 120.570 -0.084 0.000 2.441 359 I HA 0.440 4.796 4.170 0.310 0.000 0.287 359 I C 0.392 176.468 176.117 -0.069 0.000 1.049 359 I CA 0.004 61.206 61.300 -0.164 0.000 1.381 359 I CB 0.200 37.959 38.000 -0.401 0.000 1.409 359 I HN 0.618 nan 8.210 nan 0.000 0.523 360 A N 6.949 129.751 122.820 -0.030 0.000 2.423 360 A HA 0.712 5.218 4.320 0.310 0.000 0.304 360 A C -0.468 177.125 177.584 0.016 0.000 1.104 360 A CA -0.796 51.238 52.037 -0.005 0.000 0.757 360 A CB 1.882 20.888 19.000 0.011 0.000 1.313 360 A HN 0.680 nan 8.150 nan 0.000 0.423 361 K N 1.073 121.483 120.400 0.018 0.000 2.292 361 K HA 0.498 5.004 4.320 0.310 0.000 0.257 361 K C -0.925 175.707 176.600 0.053 0.000 0.940 361 K CA -0.290 56.025 56.287 0.047 0.000 0.811 361 K CB 1.360 33.839 32.500 -0.034 0.000 1.120 361 K HN 0.780 nan 8.250 nan 0.000 0.428 362 Q N 3.517 123.382 119.800 0.108 0.000 2.331 362 Q HA 0.127 4.652 4.340 0.310 0.000 0.267 362 Q C -1.285 174.807 176.000 0.153 0.000 1.006 362 Q CA -0.806 55.058 55.803 0.102 0.000 0.818 362 Q CB 1.479 30.268 28.738 0.086 0.000 1.276 362 Q HN 0.618 nan 8.270 nan 0.000 0.450 363 D N 4.524 124.994 120.400 0.116 0.000 2.358 363 D HA 0.029 4.855 4.640 0.310 0.000 0.258 363 D C 0.541 176.924 176.300 0.139 0.000 1.223 363 D CA 0.203 54.285 54.000 0.138 0.000 0.886 363 D CB 0.979 41.827 40.800 0.080 0.000 1.120 363 D HN 0.753 nan 8.370 nan 0.000 0.482 364 L N 3.353 124.676 121.223 0.168 0.000 2.552 364 L HA -0.005 4.521 4.340 0.310 0.000 0.227 364 L C 2.171 179.122 176.870 0.134 0.000 1.146 364 L CA 0.396 55.334 54.840 0.163 0.000 0.858 364 L CB -0.033 42.155 42.059 0.214 0.000 0.969 364 L HN 0.444 nan 8.230 nan 0.000 0.451 365 A N -0.199 122.688 122.820 0.113 0.000 1.924 365 A HA -0.078 4.428 4.320 0.310 0.000 0.211 365 A C 2.315 179.938 177.584 0.065 0.000 1.198 365 A CA 1.459 53.545 52.037 0.083 0.000 0.657 365 A CB -0.381 18.663 19.000 0.074 0.000 0.852 365 A HN 0.394 nan 8.150 nan 0.000 0.454 366 T N -5.365 109.227 114.554 0.064 0.000 3.015 366 T HA 0.403 4.939 4.350 0.310 0.000 0.250 366 T C 1.501 176.231 174.700 0.049 0.000 1.057 366 T CA 1.213 63.340 62.100 0.045 0.000 1.066 366 T CB 0.281 69.170 68.868 0.035 0.000 0.959 366 T HN 1.656 nan 8.240 nan 0.000 0.488 367 G N 1.085 109.929 108.800 0.074 0.000 2.179 367 G HA2 -0.092 4.054 3.960 0.310 0.000 0.260 367 G HA3 -0.092 4.054 3.960 0.310 0.000 0.260 367 G C 0.493 175.439 174.900 0.078 0.000 0.977 367 G CA -0.041 45.114 45.100 0.092 0.000 0.641 367 G HN 1.055 nan 8.290 nan 0.000 0.533 368 G N -0.855 107.978 108.800 0.055 0.000 2.491 368 G HA2 0.574 4.720 3.960 0.310 0.000 0.242 368 G HA3 0.574 4.720 3.960 0.310 0.000 0.242 368 G C -0.208 174.717 174.900 0.043 0.000 1.266 368 G CA 0.483 45.607 45.100 0.040 0.000 0.844 368 G HN 1.060 nan 8.290 nan 0.000 0.571 369 V N 1.715 121.649 119.914 0.033 0.000 2.735 369 V HA 0.508 4.814 4.120 0.310 0.000 0.310 369 V C -0.208 175.891 176.094 0.010 0.000 1.061 369 V CA -0.740 61.577 62.300 0.029 0.000 0.913 369 V CB 1.873 33.721 31.823 0.042 0.000 1.005 369 V HN 0.857 nan 8.190 nan 0.000 0.428 370 Q N 2.664 122.463 119.800 -0.002 0.000 2.304 370 Q HA 0.594 5.120 4.340 0.310 0.000 0.270 370 Q C -1.656 174.335 176.000 -0.014 0.000 1.035 370 Q CA -0.513 55.281 55.803 -0.014 0.000 0.781 370 Q CB 2.336 31.053 28.738 -0.034 0.000 1.261 370 Q HN 0.587 nan 8.270 nan 0.000 0.444 371 V N 6.236 126.142 119.914 -0.013 0.000 2.508 371 V HA 0.044 4.350 4.120 0.310 0.000 0.281 371 V C 1.098 177.168 176.094 -0.040 0.000 1.041 371 V CA 0.347 62.636 62.300 -0.020 0.000 1.016 371 V CB 0.926 32.738 31.823 -0.017 0.000 0.984 371 V HN 0.893 nan 8.190 nan 0.000 0.478 372 L N 3.444 124.639 121.223 -0.047 0.000 2.316 372 L HA 0.149 4.675 4.340 0.310 0.000 0.207 372 L C 1.127 177.967 176.870 -0.050 0.000 1.070 372 L CA 0.525 55.340 54.840 -0.041 0.000 0.820 372 L CB 0.202 42.240 42.059 -0.034 0.000 0.992 372 L HN 0.794 nan 8.230 nan 0.000 0.466 373 S N -1.586 114.057 115.700 -0.094 0.000 2.638 373 S HA 0.471 5.127 4.470 0.310 0.000 0.302 373 S C 0.253 174.723 174.600 -0.216 0.000 1.096 373 S CA -0.066 58.088 58.200 -0.077 0.000 0.953 373 S CB 1.961 65.102 63.200 -0.098 0.000 1.107 373 S HN 0.123 nan 8.310 nan 0.000 0.503 374 S N -0.904 114.713 115.700 -0.138 0.000 2.900 374 S HA 0.245 4.901 4.470 0.310 0.000 0.253 374 S C 0.571 175.205 174.600 0.057 0.000 1.029 374 S CA -0.042 57.993 58.200 -0.276 0.000 1.096 374 S CB -0.780 62.321 63.200 -0.165 0.000 1.067 374 S HN 1.029 nan 8.310 nan 0.000 0.610 375 T N 0.337 115.020 114.554 0.216 0.000 2.754 375 T HA 0.561 5.097 4.350 0.310 0.000 0.286 375 T C -0.414 174.530 174.700 0.408 0.000 0.997 375 T CA -0.493 61.786 62.100 0.298 0.000 0.982 375 T CB 0.240 69.291 68.868 0.306 0.000 1.027 375 T HN 0.221 nan 8.240 nan 0.000 0.529 376 F N 2.373 122.419 119.950 0.160 0.000 2.410 376 F HA 0.463 5.181 4.527 0.319 0.000 0.349 376 F C 0.615 176.450 175.800 0.058 0.000 1.117 376 F CA -1.782 56.274 58.000 0.094 0.000 1.104 376 F CB 0.302 39.336 39.000 0.056 0.000 1.122 376 F HN 0.546 nan 8.300 nan 0.000 0.483 377 L N 5.351 126.132 121.223 -0.737 0.000 3.533 377 L HA -0.242 4.284 4.340 0.310 0.000 0.477 377 L C -0.934 175.786 176.870 -0.249 0.000 1.306 377 L CA 0.418 54.859 54.840 -0.664 0.000 0.850 377 L CB -1.799 39.714 42.059 -0.911 0.000 1.654 377 L HN 0.650 nan 8.230 nan 0.000 0.863 378 D N 2.270 122.597 120.400 -0.122 0.000 2.389 378 D HA 0.435 5.261 4.640 0.310 0.000 0.247 378 D C 0.864 177.162 176.300 -0.003 0.000 1.128 378 D CA 0.431 54.460 54.000 0.048 0.000 0.884 378 D CB 0.829 41.632 40.800 0.006 0.000 1.194 378 D HN 0.646 nan 8.370 nan 0.000 0.441 379 E N -1.690 118.565 120.200 0.090 0.000 2.445 379 E HA 0.421 4.957 4.350 0.310 0.000 0.279 379 E C -0.841 175.824 176.600 0.109 0.000 1.018 379 E CA -1.135 55.288 56.400 0.038 0.000 0.816 379 E CB 1.007 30.684 29.700 -0.039 0.000 1.356 379 E HN 0.205 nan 8.360 nan 0.000 0.462 380 T N -1.639 112.971 114.554 0.093 0.000 3.626 380 T HA -0.124 4.412 4.350 0.310 0.000 0.393 380 T C -2.168 172.657 174.700 0.208 0.000 0.765 380 T CA 0.388 62.579 62.100 0.151 0.000 2.006 380 T CB -2.069 66.890 68.868 0.152 0.000 1.739 380 T HN 0.482 nan 8.240 nan 0.000 0.720 381 P HA 0.520 nan 4.420 nan 0.000 0.275 381 P C -0.290 177.147 177.300 0.228 0.000 1.227 381 P CA -0.155 63.082 63.100 0.228 0.000 0.781 381 P CB 1.636 33.411 31.700 0.126 0.000 0.906 382 S N 2.766 118.638 115.700 0.286 0.000 2.614 382 S HA 0.464 5.119 4.470 0.310 0.000 0.288 382 S C -0.631 174.149 174.600 0.299 0.000 1.137 382 S CA -0.744 57.630 58.200 0.291 0.000 0.992 382 S CB 0.184 63.600 63.200 0.360 0.000 1.026 382 S HN 0.240 nan 8.310 nan 0.000 0.486 383 L N 4.051 125.363 121.223 0.148 0.000 2.349 383 L HA 0.541 5.067 4.340 0.310 0.000 0.275 383 L C 1.015 177.732 176.870 -0.256 0.000 1.115 383 L CA -0.502 54.334 54.840 -0.007 0.000 0.820 383 L CB 0.892 42.913 42.059 -0.064 0.000 1.135 383 L HN 0.827 nan 8.230 nan 0.000 0.445 384 A N 5.815 128.160 122.820 -0.791 0.000 2.507 384 A HA 0.177 4.683 4.320 0.310 0.000 0.235 384 A C -1.341 175.716 177.584 -0.879 0.000 1.070 384 A CA -0.796 50.262 52.037 -1.631 0.000 0.768 384 A CB -0.311 17.494 19.000 -1.992 0.000 1.011 384 A HN 0.682 nan 8.150 nan 0.000 0.502 385 P HA -0.151 nan 4.420 nan 0.000 0.225 385 P C 0.588 177.483 177.300 -0.675 0.000 1.148 385 P CA 1.493 64.071 63.100 -0.870 0.000 0.779 385 P CB -0.308 30.556 31.700 -1.393 0.000 0.780 386 N N -1.247 117.169 118.700 -0.473 0.000 2.336 386 N HA 0.082 5.008 4.740 0.310 0.000 0.189 386 N C 1.135 176.597 175.510 -0.079 0.000 1.113 386 N CA 0.440 53.424 53.050 -0.110 0.000 0.858 386 N CB -0.429 38.060 38.487 0.003 0.000 0.970 386 N HN -0.003 nan 8.380 nan 0.000 0.471 387 G N 1.145 109.852 108.800 -0.155 0.000 2.153 387 G HA2 -0.356 3.790 3.960 0.310 0.000 0.252 387 G HA3 -0.356 3.790 3.960 0.310 0.000 0.252 387 G C 0.775 175.747 174.900 0.120 0.000 0.994 387 G CA 1.003 46.131 45.100 0.048 0.000 0.698 387 G HN 0.607 nan 8.290 nan 0.000 0.521 388 T N -4.053 110.473 114.554 -0.048 0.000 3.040 388 T HA 0.653 5.189 4.350 0.310 0.000 0.250 388 T C 0.517 175.193 174.700 -0.040 0.000 1.058 388 T CA 1.126 63.210 62.100 -0.027 0.000 0.988 388 T CB 0.418 69.279 68.868 -0.011 0.000 0.993 388 T HN 0.706 nan 8.240 nan 0.000 0.519 389 M N 1.565 121.102 119.600 -0.104 0.000 2.421 389 M HA 0.637 5.302 4.480 0.310 0.000 0.287 389 M C -2.286 174.037 176.300 0.038 0.000 1.183 389 M CA -0.979 54.310 55.300 -0.018 0.000 0.916 389 M CB 2.501 35.056 32.600 -0.075 0.000 1.701 389 M HN -0.083 nan 8.290 nan 0.000 0.470 390 V N 5.020 125.089 119.914 0.259 0.000 2.487 390 V HA 0.588 4.894 4.120 0.310 0.000 0.298 390 V C -0.657 175.756 176.094 0.531 0.000 1.028 390 V CA -0.764 61.747 62.300 0.352 0.000 0.860 390 V CB 1.694 33.691 31.823 0.290 0.000 0.991 390 V HN 0.896 nan 8.190 nan 0.000 0.427 391 I N 6.110 127.033 120.570 0.589 0.000 2.392 391 I HA 0.709 5.064 4.170 0.310 0.000 0.295 391 I C -0.781 175.568 176.117 0.388 0.000 0.985 391 I CA -0.264 61.279 61.300 0.406 0.000 1.221 391 I CB 1.159 39.302 38.000 0.238 0.000 1.366 391 I HN 0.835 nan 8.210 nan 0.000 0.467 392 Y N 3.749 124.128 120.300 0.133 0.000 2.840 392 Y HA 0.673 5.386 4.550 0.272 0.000 0.324 392 Y C -1.300 174.626 175.900 0.043 0.000 1.378 392 Y CA -1.166 56.991 58.100 0.095 0.000 1.077 392 Y CB 0.981 39.497 38.460 0.093 0.000 1.361 392 Y HN 0.371 nan 8.280 nan 0.000 0.459 393 S N 0.758 116.516 115.700 0.097 0.000 2.536 393 S HA 0.864 5.520 4.470 0.310 0.000 0.298 393 S C -0.959 173.670 174.600 0.047 0.000 1.083 393 S CA 0.136 58.302 58.200 -0.057 0.000 0.995 393 S CB 1.033 64.192 63.200 -0.069 0.000 1.058 393 S HN 1.333 nan 8.310 nan 0.000 0.488 394 S N 2.256 117.936 115.700 -0.033 0.000 2.720 394 S HA 0.756 5.412 4.470 0.310 0.000 0.287 394 S C -1.053 173.549 174.600 0.003 0.000 1.168 394 S CA -0.740 57.481 58.200 0.035 0.000 0.832 394 S CB 1.363 64.641 63.200 0.130 0.000 1.166 394 S HN 0.545 nan 8.310 nan 0.000 0.493 395 S N 0.690 116.419 115.700 0.049 0.000 2.437 395 S HA 0.567 5.223 4.470 0.310 0.000 0.305 395 S C -1.054 173.665 174.600 0.198 0.000 1.109 395 S CA -0.553 57.718 58.200 0.118 0.000 1.099 395 S CB 0.979 64.273 63.200 0.157 0.000 1.004 395 S HN 0.621 nan 8.310 nan 0.000 0.475 396 Q N 1.914 121.778 119.800 0.107 0.000 2.290 396 Q HA 0.514 5.040 4.340 0.310 0.000 0.269 396 Q C 0.556 176.582 176.000 0.043 0.000 1.016 396 Q CA -0.061 55.784 55.803 0.071 0.000 0.754 396 Q CB 1.328 30.081 28.738 0.026 0.000 1.247 396 Q HN 0.982 nan 8.270 nan 0.000 0.451 397 G N 2.402 111.220 108.800 0.029 0.000 2.611 397 G HA2 -0.382 3.764 3.960 0.310 0.000 0.301 397 G HA3 -0.382 3.764 3.960 0.310 0.000 0.301 397 G C 0.387 175.307 174.900 0.033 0.000 1.233 397 G CA 0.645 45.752 45.100 0.011 0.000 0.993 397 G HN 0.619 nan 8.290 nan 0.000 0.553 398 M N 2.225 121.837 119.600 0.020 0.000 2.561 398 M HA 0.400 5.066 4.480 0.310 0.000 0.238 398 M C 1.085 177.402 176.300 0.028 0.000 1.131 398 M CA 1.611 56.926 55.300 0.026 0.000 1.046 398 M CB -0.029 32.577 32.600 0.010 0.000 1.532 398 M HN 1.049 nan 8.290 nan 0.000 0.497 399 G N -1.819 106.995 108.800 0.024 0.000 2.680 399 G HA2 0.548 4.694 3.960 0.310 0.000 0.290 399 G HA3 0.548 4.694 3.960 0.310 0.000 0.290 399 G C -1.230 173.673 174.900 0.005 0.000 1.355 399 G CA -0.651 44.455 45.100 0.010 0.000 0.903 399 G HN 0.028 nan 8.290 nan 0.000 0.474 400 S N -0.956 114.736 115.700 -0.013 0.000 2.564 400 S HA 0.543 5.199 4.470 0.310 0.000 0.278 400 S C 0.483 175.055 174.600 -0.046 0.000 1.333 400 S CA -0.221 57.958 58.200 -0.035 0.000 1.048 400 S CB 1.158 64.324 63.200 -0.057 0.000 0.900 400 S HN 1.337 nan 8.310 nan 0.000 0.505 401 V N 1.202 121.076 119.914 -0.066 0.000 3.160 401 V HA 0.678 4.983 4.120 0.310 0.000 0.310 401 V C -1.076 174.929 176.094 -0.148 0.000 1.181 401 V CA -1.172 61.069 62.300 -0.098 0.000 1.047 401 V CB 1.398 33.169 31.823 -0.087 0.000 1.068 401 V HN 0.705 nan 8.190 nan 0.000 0.441 402 L N 2.195 123.305 121.223 -0.188 0.000 2.322 402 L HA 0.638 5.164 4.340 0.310 0.000 0.279 402 L C -0.182 176.511 176.870 -0.295 0.000 1.036 402 L CA -0.441 54.253 54.840 -0.243 0.000 0.807 402 L CB 1.488 43.397 42.059 -0.250 0.000 1.226 402 L HN 0.778 nan 8.230 nan 0.000 0.433 403 N N 3.200 121.621 118.700 -0.466 0.000 2.312 403 N HA 0.669 5.595 4.740 0.310 0.000 0.296 403 N C -1.354 173.953 175.510 -0.337 0.000 1.193 403 N CA -0.632 52.105 53.050 -0.521 0.000 0.773 403 N CB 3.046 40.938 38.487 -0.992 0.000 1.435 403 N HN 0.318 nan 8.380 nan 0.000 0.484 404 L N 1.080 122.273 121.223 -0.050 0.000 2.365 404 L HA 0.650 5.176 4.340 0.310 0.000 0.273 404 L C -0.710 176.353 176.870 0.322 0.000 1.000 404 L CA -0.872 54.100 54.840 0.220 0.000 0.819 404 L CB 2.272 44.514 42.059 0.304 0.000 1.284 404 L HN 0.172 nan 8.230 nan 0.000 0.418 405 V N 2.022 122.193 119.914 0.428 0.000 2.808 405 V HA 0.520 4.826 4.120 0.310 0.000 0.308 405 V C -0.097 176.193 176.094 0.327 0.000 1.099 405 V CA -0.384 62.133 62.300 0.361 0.000 0.920 405 V CB 2.595 34.602 31.823 0.308 0.000 1.014 405 V HN 0.890 nan 8.190 nan 0.000 0.425 406 S N 3.323 119.222 115.700 0.332 0.000 2.584 406 S HA 0.131 4.787 4.470 0.310 0.000 0.270 406 S C 1.284 175.952 174.600 0.113 0.000 1.346 406 S CA 0.352 58.679 58.200 0.213 0.000 1.018 406 S CB 1.173 64.499 63.200 0.210 0.000 0.899 406 S HN 1.331 nan 8.310 nan 0.000 0.542 407 T N -2.111 112.469 114.554 0.042 0.000 3.072 407 T HA -0.050 4.486 4.350 0.310 0.000 0.266 407 T C 0.834 175.481 174.700 -0.088 0.000 1.127 407 T CA 0.883 62.956 62.100 -0.046 0.000 1.107 407 T CB -0.633 68.152 68.868 -0.138 0.000 0.910 407 T HN 0.807 nan 8.240 nan 0.000 0.513 408 D N 0.621 121.000 120.400 -0.035 0.000 2.339 408 D HA 0.223 5.049 4.640 0.310 0.000 0.217 408 D C 1.690 177.991 176.300 0.002 0.000 1.050 408 D CA 0.441 54.421 54.000 -0.033 0.000 0.856 408 D CB -0.704 40.082 40.800 -0.024 0.000 0.922 408 D HN 0.500 nan 8.370 nan 0.000 0.518 409 G N 0.887 109.708 108.800 0.034 0.000 2.184 409 G HA2 -0.406 3.740 3.960 0.310 0.000 0.264 409 G HA3 -0.406 3.740 3.960 0.310 0.000 0.264 409 G C 1.307 176.247 174.900 0.067 0.000 0.975 409 G CA 0.401 45.528 45.100 0.044 0.000 0.642 409 G HN 0.444 nan 8.290 nan 0.000 0.536 410 R N -1.217 119.340 120.500 0.096 0.000 2.140 410 R HA 0.300 4.826 4.340 0.310 0.000 0.213 410 R C 0.878 177.276 176.300 0.164 0.000 1.059 410 R CA 0.594 56.757 56.100 0.105 0.000 1.000 410 R CB 0.204 30.561 30.300 0.095 0.000 0.910 410 R HN 0.417 nan 8.270 nan 0.000 0.455 411 F N 1.771 121.756 119.950 0.058 0.000 2.436 411 F HA 0.372 5.080 4.527 0.303 0.000 0.340 411 F C -0.787 175.070 175.800 0.094 0.000 1.113 411 F CA -0.595 57.453 58.000 0.079 0.000 1.022 411 F CB 0.977 40.036 39.000 0.098 0.000 1.128 411 F HN -0.377 nan 8.300 nan 0.000 0.466 412 K N 5.228 125.312 120.400 -0.527 0.000 2.482 412 K HA 0.846 5.352 4.320 0.310 0.000 0.251 412 K C -1.397 174.892 176.600 -0.518 0.000 0.936 412 K CA -0.941 55.156 56.287 -0.317 0.000 0.791 412 K CB 2.121 34.550 32.500 -0.118 0.000 1.213 412 K HN 0.725 nan 8.250 nan 0.000 0.428 413 A N 2.592 125.258 122.820 -0.257 0.000 2.583 413 A HA 0.785 5.291 4.320 0.310 0.000 0.289 413 A C -1.383 176.156 177.584 -0.076 0.000 1.151 413 A CA -0.864 51.069 52.037 -0.174 0.000 0.695 413 A CB 1.492 20.448 19.000 -0.073 0.000 1.290 413 A HN 0.700 nan 8.150 nan 0.000 0.419 414 R N -1.121 119.336 120.500 -0.072 0.000 2.867 414 R HA 0.691 5.217 4.340 0.310 0.000 0.268 414 R C -1.640 174.601 176.300 -0.099 0.000 1.014 414 R CA -0.696 55.345 56.100 -0.098 0.000 0.946 414 R CB 1.707 31.948 30.300 -0.098 0.000 1.208 414 R HN 0.430 nan 8.270 nan 0.000 0.477 415 L N 2.843 123.978 121.223 -0.146 0.000 2.581 415 L HA 0.353 4.879 4.340 0.310 0.000 0.241 415 L C -2.180 174.574 176.870 -0.194 0.000 1.265 415 L CA -1.492 53.239 54.840 -0.181 0.000 0.954 415 L CB 1.023 42.934 42.059 -0.247 0.000 1.269 415 L HN 0.291 nan 8.230 nan 0.000 0.475 416 P HA 0.200 nan 4.420 nan 0.000 0.268 416 P C -0.485 176.727 177.300 -0.147 0.000 1.205 416 P CA -0.069 62.951 63.100 -0.133 0.000 0.771 416 P CB 1.528 33.169 31.700 -0.098 0.000 0.858 417 A N 2.047 124.788 122.820 -0.131 0.000 2.311 417 A HA 0.530 5.036 4.320 0.310 0.000 0.334 417 A C 1.433 178.969 177.584 -0.080 0.000 1.139 417 A CA -0.035 51.934 52.037 -0.113 0.000 0.830 417 A CB 0.391 19.329 19.000 -0.104 0.000 1.234 417 A HN 0.589 nan 8.150 nan 0.000 0.483 418 T N -1.601 112.913 114.554 -0.067 0.000 2.896 418 T HA 0.088 4.624 4.350 0.310 0.000 0.263 418 T C 0.120 174.796 174.700 -0.041 0.000 1.050 418 T CA 1.273 63.342 62.100 -0.051 0.000 1.140 418 T CB -0.166 68.675 68.868 -0.046 0.000 0.877 418 T HN 0.558 nan 8.240 nan 0.000 0.457 419 D N 0.230 120.609 120.400 -0.036 0.000 2.819 419 D HA 0.545 5.371 4.640 0.310 0.000 0.232 419 D C 0.164 176.447 176.300 -0.027 0.000 1.160 419 D CA 0.348 54.331 54.000 -0.030 0.000 0.858 419 D CB 1.852 42.639 40.800 -0.023 0.000 1.610 419 D HN 0.594 nan 8.370 nan 0.000 0.481 420 G N 1.466 110.248 108.800 -0.029 0.000 2.712 420 G HA2 -0.169 3.977 3.960 0.310 0.000 0.686 420 G HA3 -0.169 3.977 3.960 0.310 0.000 0.686 420 G C -0.586 174.300 174.900 -0.024 0.000 1.321 420 G CA -0.862 44.222 45.100 -0.027 0.000 0.813 420 G HN 0.461 nan 8.290 nan 0.000 0.599 421 Q N -1.066 118.723 119.800 -0.018 0.000 2.340 421 Q HA 0.536 5.062 4.340 0.310 0.000 0.249 421 Q C 0.123 176.127 176.000 0.006 0.000 0.957 421 Q CA -0.398 55.398 55.803 -0.012 0.000 0.882 421 Q CB 1.767 30.503 28.738 -0.003 0.000 1.235 421 Q HN 0.633 nan 8.270 nan 0.000 0.439 422 V N 2.246 122.151 119.914 -0.014 0.000 2.577 422 V HA 0.531 4.837 4.120 0.310 0.000 0.303 422 V C -0.360 175.727 176.094 -0.011 0.000 1.042 422 V CA -0.723 61.577 62.300 -0.001 0.000 0.872 422 V CB 1.448 33.211 31.823 -0.100 0.000 0.998 422 V HN 0.839 nan 8.190 nan 0.000 0.423 423 K N 2.014 122.451 120.400 0.062 0.000 2.428 423 K HA 0.723 5.229 4.320 0.310 0.000 0.279 423 K C -0.711 175.981 176.600 0.152 0.000 1.041 423 K CA -1.110 55.171 56.287 -0.010 0.000 0.887 423 K CB 0.941 33.344 32.500 -0.163 0.000 1.535 423 K HN 0.192 nan 8.250 nan 0.000 0.417 424 F N 0.066 120.080 119.950 0.106 0.000 3.027 424 F HA -0.137 4.503 4.527 0.188 0.000 0.276 424 F C -2.074 173.812 175.800 0.143 0.000 0.967 424 F CA 0.378 58.450 58.000 0.120 0.000 0.929 424 F CB -1.841 37.223 39.000 0.106 0.000 0.873 424 F HN 0.411 nan 8.300 nan 0.000 0.787 425 P HA 0.513 nan 4.420 nan 0.000 0.274 425 P C -0.540 176.939 177.300 0.299 0.000 1.231 425 P CA 0.042 63.300 63.100 0.264 0.000 0.790 425 P CB 1.842 33.637 31.700 0.159 0.000 0.951 426 A N 2.826 125.846 122.820 0.334 0.000 2.437 426 A HA 0.407 4.913 4.320 0.310 0.000 0.293 426 A C -1.425 176.496 177.584 0.561 0.000 1.038 426 A CA -0.607 51.694 52.037 0.440 0.000 0.708 426 A CB 0.941 20.192 19.000 0.418 0.000 1.251 426 A HN 0.504 nan 8.150 nan 0.000 0.409 427 W N 3.792 125.261 121.300 0.282 0.000 2.316 427 W HA 0.444 5.270 4.660 0.277 0.000 0.311 427 W C 0.723 177.097 176.519 -0.242 0.000 1.217 427 W CA 0.008 57.397 57.345 0.073 0.000 1.199 427 W CB 1.790 31.253 29.460 0.004 0.000 1.202 427 W HN 0.908 nan 8.180 nan 0.000 0.528 428 S N 6.959 122.440 115.700 -0.365 0.000 2.589 428 S HA 0.366 5.021 4.470 0.310 0.000 0.265 428 S C -2.078 172.238 174.600 -0.472 0.000 1.342 428 S CA -1.022 56.440 58.200 -1.230 0.000 1.005 428 S CB 1.068 63.305 63.200 -1.605 0.000 0.909 428 S HN 0.339 nan 8.310 nan 0.000 0.555 429 P HA 0.126 nan 4.420 nan 0.000 0.273 429 P C -0.455 176.707 177.300 -0.229 0.000 1.250 429 P CA -0.326 62.603 63.100 -0.285 0.000 0.793 429 P CB 0.073 31.672 31.700 -0.169 0.000 1.011 430 Y N -0.742 119.483 120.300 -0.124 0.000 2.607 430 Y HA -0.016 4.727 4.550 0.322 0.000 0.348 430 Y C 1.461 177.323 175.900 -0.063 0.000 1.261 430 Y CA 0.368 58.415 58.100 -0.088 0.000 1.480 430 Y CB -0.641 37.788 38.460 -0.052 0.000 1.358 430 Y HN 0.123 nan 8.280 nan 0.000 0.630 431 L N 2.637 123.959 121.223 0.165 0.000 2.483 431 L HA 0.023 4.549 4.340 0.310 0.000 0.276 431 L C 0.798 177.778 176.870 0.184 0.000 1.213 431 L CA 0.192 55.107 54.840 0.124 0.000 0.843 431 L CB 0.070 42.215 42.059 0.144 0.000 1.107 431 L HN 0.698 nan 8.230 nan 0.000 0.487 437 H N 1.261 120.336 119.070 0.009 0.000 2.897 437 H HA 0.224 4.965 4.556 0.308 0.000 0.347 437 H C -0.058 175.241 175.328 -0.048 0.000 1.068 437 H CA 1.452 57.432 56.048 -0.112 0.000 1.426 437 H CB 0.334 29.892 29.762 -0.339 0.000 1.410 437 H HN 0.506 nan 8.280 nan 0.000 0.597 438 H N 0.000 118.747 119.070 -0.539 0.000 2.539 438 H HA 0.000 4.742 4.556 0.310 0.000 0.296 438 H CA 0.000 55.857 56.048 -0.318 0.000 1.023 438 H CB 0.000 29.638 29.762 -0.206 0.000 1.292 438 H HN 0.000 nan 8.280 nan 0.000 0.496