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 3p24_1_B DATA FIRST_RESID 33 DATA SEQUENCE PVTASIDLQS VSYTDLATQL NDVSDFGKMI ILKDNGFNRQ VHVSMDKRTK DATA SEQUENCE IQLDNENVRL FNGRDKDSTN FILGDEFAVL RFYRNGESIS YIAYKEAQMM DATA SEQUENCE NEIAEFYAAP FKKTRAINEK EAFECIYDSR TRSAGKYPVS VKINVDKAKK DATA SEQUENCE ILNLPECDYI NDYIKTPQXX XXXXXXXXRA VPSEPKTVYV ICLRENGSTV DATA SEQUENCE YPNEVSAQMQ DAANSVYAVH GLKRYVNLHF VLYTTEYACP SGNADEGLDG DATA SEQUENCE FTASLKANPK AEGYDDQIYF LIRWGTWDNN ILGISWLNSY NVNTASDFKA DATA SEQUENCE SGMSTTQLMY PGVMAHELGH ILGANHADDP KDLMYSKYTG YLFHLSEKNM DATA SEQUENCE DIIAKNLGWE IADGD 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 33 P HA 0.000 nan 4.420 nan 0.000 0.216 33 P C 0.000 177.286 177.300 -0.024 0.000 1.155 33 P CA 0.000 63.086 63.100 -0.023 0.000 0.800 33 P CB 0.000 31.687 31.700 -0.022 0.000 0.726 34 V N 1.538 121.436 119.914 -0.026 0.000 2.555 34 V HA 0.244 4.379 4.120 0.025 0.000 0.286 34 V C 0.925 176.999 176.094 -0.033 0.000 1.044 34 V CA 0.319 62.602 62.300 -0.029 0.000 1.026 34 V CB 1.016 32.822 31.823 -0.029 0.000 0.981 34 V HN 0.659 nan 8.190 nan 0.000 0.480 35 T N 4.718 119.252 114.554 -0.034 0.000 2.916 35 T HA 0.370 4.735 4.350 0.025 0.000 0.303 35 T C 0.587 175.258 174.700 -0.049 0.000 1.025 35 T CA 0.065 62.142 62.100 -0.038 0.000 1.142 35 T CB 0.836 69.683 68.868 -0.036 0.000 0.947 35 T HN 1.018 nan 8.240 nan 0.000 0.544 36 A N 3.349 126.135 122.820 -0.057 0.000 2.531 36 A HA 0.494 4.829 4.320 0.025 0.000 0.236 36 A C 0.724 178.264 177.584 -0.073 0.000 1.062 36 A CA -0.392 51.602 52.037 -0.070 0.000 0.760 36 A CB -0.069 18.878 19.000 -0.088 0.000 0.995 36 A HN 0.998 nan 8.150 nan 0.000 0.501 37 S N 1.040 116.695 115.700 -0.075 0.000 2.564 37 S HA 0.769 5.254 4.470 0.025 0.000 0.274 37 S C -0.819 173.735 174.600 -0.077 0.000 1.124 37 S CA -0.678 57.476 58.200 -0.075 0.000 0.869 37 S CB 1.194 64.353 63.200 -0.069 0.000 1.105 37 S HN 0.590 nan 8.310 nan 0.000 0.472 38 I N 1.885 122.409 120.570 -0.077 0.000 2.418 38 I HA 0.351 4.536 4.170 0.025 0.000 0.287 38 I C -1.112 174.956 176.117 -0.081 0.000 1.008 38 I CA -0.454 60.800 61.300 -0.077 0.000 1.104 38 I CB 1.819 39.779 38.000 -0.065 0.000 1.264 38 I HN 0.696 nan 8.210 nan 0.000 0.438 39 D N 7.076 127.434 120.400 -0.069 0.000 2.396 39 D HA 0.242 4.897 4.640 0.025 0.000 0.225 39 D C 0.702 176.961 176.300 -0.068 0.000 1.121 39 D CA -0.176 53.793 54.000 -0.051 0.000 0.853 39 D CB 1.157 41.940 40.800 -0.028 0.000 1.043 39 D HN 0.441 nan 8.370 nan 0.000 0.500 40 L N 2.597 123.765 121.223 -0.092 0.000 2.551 40 L HA -0.045 4.310 4.340 0.025 0.000 0.228 40 L C 1.978 178.848 176.870 0.001 0.000 1.153 40 L CA 0.381 55.116 54.840 -0.175 0.000 0.851 40 L CB -0.049 41.848 42.059 -0.270 0.000 0.959 40 L HN 0.365 nan 8.230 nan 0.000 0.451 41 Q N -0.195 119.622 119.800 0.028 0.000 2.435 41 Q HA -0.029 4.326 4.340 0.025 0.000 0.207 41 Q C 1.642 177.676 176.000 0.057 0.000 0.956 41 Q CA 1.166 57.002 55.803 0.057 0.000 0.917 41 Q CB 0.353 29.120 28.738 0.048 0.000 0.997 41 Q HN 0.597 nan 8.270 nan 0.000 0.497 42 S N -2.295 113.427 115.700 0.036 0.000 2.993 42 S HA 0.124 4.609 4.470 0.025 0.000 0.257 42 S C 0.095 174.714 174.600 0.031 0.000 0.997 42 S CA -0.497 57.729 58.200 0.044 0.000 1.191 42 S CB 0.100 63.324 63.200 0.040 0.000 1.143 42 S HN 0.007 nan 8.310 nan 0.000 0.655 43 V N 4.199 124.121 119.914 0.013 0.000 2.557 43 V HA 0.490 4.625 4.120 0.025 0.000 0.301 43 V C 0.300 176.423 176.094 0.049 0.000 1.026 43 V CA 0.931 63.232 62.300 0.000 0.000 1.137 43 V CB 0.516 32.301 31.823 -0.063 0.000 0.917 43 V HN 0.785 nan 8.190 nan 0.000 0.484 44 S N 5.672 121.397 115.700 0.043 0.000 2.726 44 S HA 0.392 4.877 4.470 0.025 0.000 0.308 44 S C 0.527 175.179 174.600 0.087 0.000 1.115 44 S CA -0.108 58.145 58.200 0.088 0.000 0.965 44 S CB 1.083 64.335 63.200 0.086 0.000 1.145 44 S HN 0.804 nan 8.310 nan 0.000 0.532 45 Y N 1.743 122.075 120.300 0.053 0.000 2.128 45 Y HA -0.184 4.381 4.550 0.025 0.000 0.284 45 Y C 2.724 178.624 175.900 0.000 0.000 1.154 45 Y CA 2.874 60.993 58.100 0.032 0.000 1.149 45 Y CB -1.134 37.356 38.460 0.049 0.000 0.976 45 Y HN 0.899 nan 8.280 nan 0.000 0.505 46 T N -2.495 112.057 114.554 -0.002 0.000 2.867 46 T HA -0.163 4.202 4.350 0.025 0.000 0.268 46 T C 1.546 176.149 174.700 -0.160 0.000 1.057 46 T CA 1.364 63.413 62.100 -0.086 0.000 1.136 46 T CB -0.525 68.373 68.868 0.050 0.000 0.874 46 T HN 0.306 nan 8.240 nan 0.000 0.466 47 D N 1.705 122.039 120.400 -0.110 0.000 2.092 47 D HA -0.023 4.633 4.640 0.025 0.000 0.193 47 D C 2.162 178.351 176.300 -0.184 0.000 0.994 47 D CA 1.002 54.932 54.000 -0.115 0.000 0.828 47 D CB -0.453 40.306 40.800 -0.068 0.000 0.963 47 D HN 0.362 nan 8.370 nan 0.000 0.450 48 L N 0.595 121.686 121.223 -0.219 0.000 2.056 48 L HA -0.128 4.227 4.340 0.025 0.000 0.207 48 L C 2.567 179.198 176.870 -0.398 0.000 1.078 48 L CA 1.166 55.847 54.840 -0.264 0.000 0.749 48 L CB -0.412 41.538 42.059 -0.181 0.000 0.901 48 L HN -0.029 nan 8.230 nan 0.000 0.433 49 A N 0.240 122.743 122.820 -0.529 0.000 1.877 49 A HA -0.222 4.113 4.320 0.025 0.000 0.216 49 A C 2.463 179.855 177.584 -0.318 0.000 1.186 49 A CA 2.329 54.065 52.037 -0.502 0.000 0.620 49 A CB -1.063 17.522 19.000 -0.692 0.000 0.822 49 A HN 0.523 nan 8.150 nan 0.000 0.443 50 T N -2.765 111.635 114.554 -0.257 0.000 2.821 50 T HA -0.163 4.202 4.350 0.025 0.000 0.267 50 T C 1.862 176.441 174.700 -0.202 0.000 1.046 50 T CA 1.429 63.422 62.100 -0.178 0.000 1.139 50 T CB -0.311 68.482 68.868 -0.125 0.000 0.871 50 T HN 0.434 nan 8.240 nan 0.000 0.454 51 Q N 1.051 120.701 119.800 -0.251 0.000 2.049 51 Q HA 0.173 4.528 4.340 0.025 0.000 0.198 51 Q C 2.600 178.367 176.000 -0.389 0.000 0.971 51 Q CA 1.032 56.666 55.803 -0.281 0.000 0.833 51 Q CB -0.482 28.085 28.738 -0.285 0.000 0.896 51 Q HN 0.538 nan 8.270 nan 0.000 0.434 52 L N 1.092 121.991 121.223 -0.540 0.000 2.141 52 L HA -0.128 4.227 4.340 0.025 0.000 0.209 52 L C 1.849 178.434 176.870 -0.474 0.000 1.094 52 L CA 0.621 54.978 54.840 -0.804 0.000 0.763 52 L CB -0.474 40.867 42.059 -1.197 0.000 0.908 52 L HN 0.168 nan 8.230 nan 0.000 0.437 53 N N 0.026 118.562 118.700 -0.275 0.000 2.443 53 N HA -0.194 4.561 4.740 0.025 0.000 0.184 53 N C 1.206 176.667 175.510 -0.082 0.000 1.037 53 N CA 1.179 54.162 53.050 -0.110 0.000 0.896 53 N CB -0.180 38.257 38.487 -0.084 0.000 0.959 53 N HN 0.340 nan 8.380 nan 0.000 0.442 54 D N -0.216 120.107 120.400 -0.129 0.000 2.340 54 D HA 0.015 4.670 4.640 0.025 0.000 0.220 54 D C -0.306 175.950 176.300 -0.074 0.000 1.039 54 D CA -0.009 53.937 54.000 -0.091 0.000 0.866 54 D CB 0.432 41.167 40.800 -0.107 0.000 0.913 54 D HN -0.170 nan 8.370 nan 0.000 0.523 55 V N 1.985 121.847 119.914 -0.087 0.000 2.421 55 V HA 0.110 4.245 4.120 0.025 0.000 0.271 55 V C 0.893 177.016 176.094 0.048 0.000 1.031 55 V CA -0.239 62.040 62.300 -0.035 0.000 1.032 55 V CB 0.408 32.219 31.823 -0.019 0.000 1.009 55 V HN 0.260 nan 8.190 nan 0.000 0.477 56 S N 3.085 118.819 115.700 0.057 0.000 2.661 56 S HA 0.177 4.662 4.470 0.025 0.000 0.265 56 S C 0.840 175.509 174.600 0.115 0.000 1.225 56 S CA -0.505 57.761 58.200 0.111 0.000 0.986 56 S CB 0.801 64.104 63.200 0.171 0.000 1.008 56 S HN 0.640 nan 8.310 nan 0.000 0.565 57 D N -0.041 120.426 120.400 0.112 0.000 2.309 57 D HA 0.010 4.665 4.640 0.025 0.000 0.212 57 D C 0.795 177.004 176.300 -0.151 0.000 0.968 57 D CA 1.069 55.037 54.000 -0.053 0.000 0.882 57 D CB -0.383 40.314 40.800 -0.172 0.000 0.918 57 D HN 0.588 nan 8.370 nan 0.000 0.503 58 F N -0.109 119.859 119.950 0.030 0.000 2.727 58 F HA 0.322 4.865 4.527 0.026 0.000 0.302 58 F C 1.648 177.506 175.800 0.097 0.000 1.097 58 F CA 0.331 58.368 58.000 0.062 0.000 1.330 58 F CB 0.124 39.156 39.000 0.053 0.000 1.084 58 F HN -0.093 nan 8.300 nan 0.000 0.578 59 G N 1.360 110.253 108.800 0.154 0.000 2.781 59 G HA2 -0.179 3.796 3.960 0.025 0.000 0.683 59 G HA3 -0.179 3.796 3.960 0.025 0.000 0.683 59 G C -0.875 173.931 174.900 -0.156 0.000 1.390 59 G CA -0.658 44.393 45.100 -0.082 0.000 0.850 59 G HN 0.327 nan 8.290 nan 0.000 0.557 60 K N -0.066 120.090 120.400 -0.406 0.000 2.535 60 K HA 0.568 4.903 4.320 0.025 0.000 0.251 60 K C 0.132 176.585 176.600 -0.245 0.000 0.942 60 K CA -1.116 55.039 56.287 -0.221 0.000 0.798 60 K CB 0.900 33.297 32.500 -0.170 0.000 1.267 60 K HN 0.490 nan 8.250 nan 0.000 0.434 61 M N 4.959 124.525 119.600 -0.056 0.000 2.200 61 M HA 0.321 4.816 4.480 0.025 0.000 0.355 61 M C -0.332 175.939 176.300 -0.050 0.000 1.283 61 M CA 0.030 55.331 55.300 0.002 0.000 1.124 61 M CB 0.026 32.662 32.600 0.061 0.000 1.625 61 M HN 0.517 nan 8.290 nan 0.000 0.463 62 I N 4.422 124.965 120.570 -0.046 0.000 2.534 62 I HA 0.407 4.592 4.170 0.025 0.000 0.288 62 I C -0.593 175.495 176.117 -0.049 0.000 1.077 62 I CA -0.596 60.666 61.300 -0.062 0.000 1.051 62 I CB 2.211 40.158 38.000 -0.088 0.000 1.234 62 I HN 0.550 nan 8.210 nan 0.000 0.425 63 I N 6.524 127.052 120.570 -0.071 0.000 2.312 63 I HA 0.268 4.453 4.170 0.025 0.000 0.291 63 I C -0.168 175.877 176.117 -0.121 0.000 1.031 63 I CA -0.347 60.892 61.300 -0.102 0.000 1.293 63 I CB 0.730 38.668 38.000 -0.103 0.000 1.403 63 I HN 0.281 nan 8.210 nan 0.000 0.484 64 L N 7.802 128.924 121.223 -0.169 0.000 2.331 64 L HA 0.418 4.773 4.340 0.025 0.000 0.278 64 L C -0.062 176.675 176.870 -0.221 0.000 1.106 64 L CA -0.343 54.387 54.840 -0.184 0.000 0.824 64 L CB 0.291 42.204 42.059 -0.243 0.000 1.142 64 L HN 0.545 nan 8.230 nan 0.000 0.443 65 K N 2.437 122.774 120.400 -0.105 0.000 2.427 65 K HA 0.567 4.902 4.320 0.025 0.000 0.252 65 K C -1.337 175.308 176.600 0.075 0.000 0.931 65 K CA -0.871 55.381 56.287 -0.058 0.000 0.793 65 K CB 2.702 35.164 32.500 -0.064 0.000 1.211 65 K HN 0.416 nan 8.250 nan 0.000 0.426 66 D N 0.362 120.872 120.400 0.182 0.000 2.664 66 D HA 0.156 4.811 4.640 0.025 0.000 0.292 66 D C -1.138 175.252 176.300 0.150 0.000 1.214 66 D CA -0.727 53.382 54.000 0.180 0.000 0.932 66 D CB 1.244 42.199 40.800 0.258 0.000 1.420 66 D HN 0.459 nan 8.370 nan 0.000 0.471 67 N N 0.090 118.858 118.700 0.113 0.000 2.315 67 N HA 0.289 5.044 4.740 0.025 0.000 0.270 67 N C 0.778 176.361 175.510 0.121 0.000 1.329 67 N CA 1.058 54.161 53.050 0.089 0.000 0.860 67 N CB 0.202 38.728 38.487 0.064 0.000 1.095 67 N HN 0.620 nan 8.380 nan 0.000 0.487 68 G N 1.735 110.597 108.800 0.103 0.000 2.168 68 G HA2 -0.305 3.670 3.960 0.025 0.000 0.257 68 G HA3 -0.305 3.670 3.960 0.025 0.000 0.257 68 G C -0.395 174.627 174.900 0.203 0.000 0.997 68 G CA 0.150 45.320 45.100 0.116 0.000 0.708 68 G HN 0.572 nan 8.290 nan 0.000 0.520 69 F N 0.805 120.763 119.950 0.013 0.000 2.581 69 F HA 0.617 5.159 4.527 0.025 0.000 0.311 69 F C -0.683 175.103 175.800 -0.023 0.000 1.113 69 F CA -1.131 56.875 58.000 0.010 0.000 0.935 69 F CB 1.632 40.655 39.000 0.039 0.000 1.232 69 F HN 0.391 nan 8.300 nan 0.000 0.445 70 N N 3.703 121.877 118.700 -0.877 0.000 2.331 70 N HA 0.619 5.375 4.740 0.025 0.000 0.280 70 N C -2.053 172.831 175.510 -1.043 0.000 1.155 70 N CA -1.020 51.518 53.050 -0.853 0.000 0.822 70 N CB 2.285 40.551 38.487 -0.370 0.000 1.619 70 N HN 0.803 nan 8.380 nan 0.000 0.476 71 R N 1.092 121.134 120.500 -0.763 0.000 2.515 71 R HA 0.226 4.581 4.340 0.025 0.000 0.278 71 R C -1.686 174.469 176.300 -0.243 0.000 1.107 71 R CA -0.554 55.283 56.100 -0.439 0.000 0.945 71 R CB 1.559 31.635 30.300 -0.374 0.000 1.219 71 R HN 0.775 nan 8.270 nan 0.000 0.434 72 Q N 4.081 123.796 119.800 -0.141 0.000 2.314 72 Q HA 0.369 4.724 4.340 0.025 0.000 0.257 72 Q C -0.786 175.206 176.000 -0.014 0.000 0.975 72 Q CA -0.604 55.156 55.803 -0.071 0.000 0.933 72 Q CB 1.317 30.026 28.738 -0.047 0.000 1.195 72 Q HN 0.487 nan 8.270 nan 0.000 0.426 73 V N 1.486 121.409 119.914 0.014 0.000 2.555 73 V HA 0.428 4.563 4.120 0.025 0.000 0.302 73 V C -0.743 175.420 176.094 0.116 0.000 1.038 73 V CA -0.882 61.467 62.300 0.080 0.000 0.887 73 V CB 1.687 33.571 31.823 0.101 0.000 0.991 73 V HN 0.828 nan 8.190 nan 0.000 0.434 74 H N 3.842 122.947 119.070 0.060 0.000 2.640 74 H HA 0.589 5.159 4.556 0.025 0.000 0.297 74 H C -1.204 174.180 175.328 0.094 0.000 1.073 74 H CA -0.223 55.860 56.048 0.059 0.000 1.305 74 H CB 1.698 31.489 29.762 0.049 0.000 1.404 74 H HN 0.682 nan 8.280 nan 0.000 0.459 75 V N 5.273 125.058 119.914 -0.216 0.000 2.439 75 V HA 0.222 4.357 4.120 0.025 0.000 0.282 75 V C 0.153 176.190 176.094 -0.095 0.000 1.039 75 V CA -0.469 61.801 62.300 -0.050 0.000 0.913 75 V CB 1.399 33.157 31.823 -0.110 0.000 0.983 75 V HN 0.863 nan 8.190 nan 0.000 0.460 76 S N 4.824 120.577 115.700 0.087 0.000 2.568 76 S HA 0.752 5.238 4.470 0.025 0.000 0.293 76 S C -0.653 174.040 174.600 0.155 0.000 1.089 76 S CA -0.986 57.270 58.200 0.093 0.000 0.945 76 S CB 1.599 64.851 63.200 0.086 0.000 1.077 76 S HN 0.520 nan 8.310 nan 0.000 0.485 77 M N 2.438 122.075 119.600 0.061 0.000 2.239 77 M HA 0.166 4.661 4.480 0.025 0.000 0.348 77 M C -0.174 176.014 176.300 -0.186 0.000 1.239 77 M CA 0.010 55.189 55.300 -0.202 0.000 1.114 77 M CB 0.068 32.561 32.600 -0.178 0.000 1.641 77 M HN 0.700 nan 8.290 nan 0.000 0.453 78 D N 3.026 123.260 120.400 -0.277 0.000 2.365 78 D HA 0.126 4.781 4.640 0.025 0.000 0.237 78 D C 0.149 176.344 176.300 -0.174 0.000 1.190 78 D CA 0.143 54.048 54.000 -0.157 0.000 0.867 78 D CB 0.719 41.464 40.800 -0.091 0.000 1.050 78 D HN 0.482 nan 8.370 nan 0.000 0.491 79 K N 2.411 122.721 120.400 -0.150 0.000 2.404 79 K HA 0.129 4.464 4.320 0.025 0.000 0.194 79 K C 1.511 178.027 176.600 -0.141 0.000 1.023 79 K CA 0.103 56.306 56.287 -0.140 0.000 1.094 79 K CB 0.742 33.168 32.500 -0.123 0.000 0.841 79 K HN 0.266 nan 8.250 nan 0.000 0.523 80 R N -0.088 120.307 120.500 -0.175 0.000 2.173 80 R HA 0.061 4.416 4.340 0.025 0.000 0.208 80 R C 0.289 176.560 176.300 -0.047 0.000 1.035 80 R CA 0.703 56.662 56.100 -0.234 0.000 1.004 80 R CB 0.356 30.257 30.300 -0.665 0.000 0.917 80 R HN -0.087 nan 8.270 nan 0.000 0.462 81 T N 0.988 115.550 114.554 0.014 0.000 2.841 81 T HA 0.400 4.765 4.350 0.025 0.000 0.283 81 T C -0.719 173.981 174.700 -0.000 0.000 1.000 81 T CA -0.731 61.445 62.100 0.127 0.000 0.977 81 T CB 2.444 71.485 68.868 0.288 0.000 0.979 81 T HN -0.069 nan 8.240 nan 0.000 0.446 82 K N 2.248 122.606 120.400 -0.071 0.000 2.318 82 K HA 0.763 5.098 4.320 0.025 0.000 0.249 82 K C -1.033 175.561 176.600 -0.010 0.000 0.942 82 K CA -0.764 55.381 56.287 -0.237 0.000 0.808 82 K CB 2.131 34.149 32.500 -0.804 0.000 1.189 82 K HN 0.462 nan 8.250 nan 0.000 0.428 83 I N 2.245 122.860 120.570 0.076 0.000 2.607 83 I HA 0.211 4.396 4.170 0.025 0.000 0.290 83 I C -1.234 175.023 176.117 0.233 0.000 1.129 83 I CA -0.834 60.608 61.300 0.236 0.000 1.042 83 I CB 2.333 40.441 38.000 0.180 0.000 1.242 83 I HN 0.416 nan 8.210 nan 0.000 0.421 84 Q N 5.804 125.790 119.800 0.311 0.000 2.353 84 Q HA 0.679 5.034 4.340 0.025 0.000 0.268 84 Q C -1.385 174.772 176.000 0.261 0.000 1.045 84 Q CA -0.374 55.591 55.803 0.268 0.000 0.811 84 Q CB 2.986 31.893 28.738 0.281 0.000 1.305 84 Q HN 0.496 nan 8.270 nan 0.000 0.447 85 L N 2.747 124.108 121.223 0.230 0.000 2.295 85 L HA 0.432 4.787 4.340 0.025 0.000 0.281 85 L C -0.600 176.387 176.870 0.197 0.000 1.018 85 L CA -0.616 54.350 54.840 0.211 0.000 0.841 85 L CB 1.151 43.328 42.059 0.197 0.000 1.218 85 L HN 0.715 nan 8.230 nan 0.000 0.424 86 D N 3.185 123.712 120.400 0.213 0.000 2.686 86 D HA -0.237 4.418 4.640 0.025 0.000 0.235 86 D C 0.318 176.710 176.300 0.153 0.000 1.160 86 D CA 0.793 54.904 54.000 0.186 0.000 0.645 86 D CB -0.663 40.225 40.800 0.148 0.000 1.039 86 D HN 0.889 nan 8.370 nan 0.000 0.423 87 N N -1.175 117.627 118.700 0.169 0.000 2.936 87 N HA -0.197 4.558 4.740 0.025 0.000 0.236 87 N C -0.370 175.224 175.510 0.141 0.000 0.930 87 N CA 1.359 54.495 53.050 0.144 0.000 0.966 87 N CB -0.823 37.725 38.487 0.101 0.000 1.090 87 N HN 0.623 nan 8.380 nan 0.000 0.592 88 E N 1.212 121.505 120.200 0.155 0.000 2.194 88 E HA 0.174 4.539 4.350 0.025 0.000 0.284 88 E C 0.263 176.961 176.600 0.163 0.000 1.035 88 E CA -0.381 56.109 56.400 0.151 0.000 0.836 88 E CB 1.007 30.807 29.700 0.167 0.000 1.070 88 E HN 0.158 nan 8.360 nan 0.000 0.401 89 N N 2.907 121.686 118.700 0.132 0.000 2.458 89 N HA 0.116 4.871 4.740 0.025 0.000 0.270 89 N C -1.226 174.346 175.510 0.103 0.000 1.102 89 N CA -0.177 52.943 53.050 0.117 0.000 0.967 89 N CB 0.795 39.334 38.487 0.087 0.000 1.078 89 N HN 0.113 nan 8.380 nan 0.000 0.471 90 V N 4.373 124.351 119.914 0.106 0.000 2.444 90 V HA 0.423 4.558 4.120 0.025 0.000 0.294 90 V C -0.050 176.069 176.094 0.043 0.000 1.022 90 V CA -0.717 61.635 62.300 0.086 0.000 0.850 90 V CB 1.540 33.470 31.823 0.178 0.000 0.992 90 V HN 0.670 nan 8.190 nan 0.000 0.426 91 R N 4.250 124.758 120.500 0.013 0.000 2.604 91 R HA 0.783 5.138 4.340 0.025 0.000 0.287 91 R C -1.158 175.097 176.300 -0.075 0.000 0.970 91 R CA -0.692 55.360 56.100 -0.080 0.000 0.946 91 R CB 1.859 32.087 30.300 -0.119 0.000 1.127 91 R HN 0.551 nan 8.270 nan 0.000 0.473 92 L N 2.384 123.471 121.223 -0.225 0.000 2.330 92 L HA 0.621 4.976 4.340 0.025 0.000 0.271 92 L C -0.909 175.722 176.870 -0.399 0.000 1.013 92 L CA -0.745 54.038 54.840 -0.095 0.000 0.816 92 L CB 1.023 43.087 42.059 0.009 0.000 1.287 92 L HN 0.432 nan 8.230 nan 0.000 0.435 93 F N 0.019 120.051 119.950 0.137 0.000 2.588 93 F HA 0.473 5.016 4.527 0.025 0.000 0.310 93 F C -0.135 175.807 175.800 0.237 0.000 1.082 93 F CA -0.849 57.238 58.000 0.144 0.000 0.929 93 F CB 1.873 40.922 39.000 0.083 0.000 1.254 93 F HN 0.340 nan 8.300 nan 0.000 0.455 94 N N 0.451 119.361 118.700 0.350 0.000 2.314 94 N HA 0.528 5.283 4.740 0.025 0.000 0.304 94 N C -0.014 175.668 175.510 0.286 0.000 1.073 94 N CA -0.510 52.711 53.050 0.286 0.000 0.822 94 N CB 2.193 40.794 38.487 0.191 0.000 1.280 94 N HN 0.823 nan 8.380 nan 0.000 0.489 95 G N 0.395 109.356 108.800 0.268 0.000 2.563 95 G HA2 0.335 4.310 3.960 0.025 0.000 0.283 95 G HA3 0.335 4.310 3.960 0.025 0.000 0.283 95 G C 0.146 175.159 174.900 0.188 0.000 1.309 95 G CA -0.446 44.791 45.100 0.228 0.000 1.022 95 G HN 0.427 nan 8.290 nan 0.000 0.501 96 R N -0.819 119.785 120.500 0.173 0.000 2.774 96 R HA 0.114 4.469 4.340 0.025 0.000 0.269 96 R C 0.827 177.188 176.300 0.102 0.000 1.068 96 R CA -0.401 55.776 56.100 0.127 0.000 1.180 96 R CB 0.384 30.746 30.300 0.103 0.000 1.077 96 R HN 0.461 nan 8.270 nan 0.000 0.513 97 D N 1.523 121.961 120.400 0.064 0.000 2.116 97 D HA -0.204 4.451 4.640 0.025 0.000 0.193 97 D C 1.666 177.989 176.300 0.037 0.000 0.998 97 D CA 1.748 55.768 54.000 0.033 0.000 0.836 97 D CB -0.033 40.758 40.800 -0.015 0.000 0.951 97 D HN 0.535 nan 8.370 nan 0.000 0.449 98 K N 0.430 120.853 120.400 0.038 0.000 2.280 98 K HA -0.127 4.208 4.320 0.025 0.000 0.202 98 K C 0.873 177.518 176.600 0.074 0.000 1.047 98 K CA 1.277 57.590 56.287 0.043 0.000 0.942 98 K CB 0.045 32.564 32.500 0.033 0.000 0.739 98 K HN -0.006 nan 8.250 nan 0.000 0.457 99 D N 1.105 121.563 120.400 0.097 0.000 2.234 99 D HA -0.022 4.633 4.640 0.025 0.000 0.205 99 D C -0.034 176.370 176.300 0.172 0.000 0.962 99 D CA 0.643 54.716 54.000 0.122 0.000 0.855 99 D CB 0.068 40.946 40.800 0.130 0.000 0.951 99 D HN 0.143 nan 8.370 nan 0.000 0.500 100 S N -0.144 115.666 115.700 0.182 0.000 3.550 100 S HA -0.142 4.343 4.470 0.025 0.000 0.372 100 S C -0.224 174.601 174.600 0.375 0.000 0.966 100 S CA 0.582 58.944 58.200 0.270 0.000 1.229 100 S CB -1.412 61.956 63.200 0.280 0.000 0.917 100 S HN 0.206 nan 8.310 nan 0.000 0.496 101 T N 1.798 116.512 114.554 0.267 0.000 2.952 101 T HA 0.603 4.968 4.350 0.025 0.000 0.305 101 T C -0.464 174.319 174.700 0.138 0.000 1.064 101 T CA -0.775 61.432 62.100 0.179 0.000 1.008 101 T CB 1.674 70.594 68.868 0.087 0.000 1.078 101 T HN 0.364 nan 8.240 nan 0.000 0.459 102 N N 0.862 119.579 118.700 0.029 0.000 2.329 102 N HA 0.770 5.526 4.740 0.025 0.000 0.282 102 N C -1.610 173.869 175.510 -0.051 0.000 1.198 102 N CA -0.729 52.391 53.050 0.115 0.000 0.790 102 N CB 1.886 40.483 38.487 0.183 0.000 1.579 102 N HN 0.437 nan 8.380 nan 0.000 0.475 103 F N 0.338 120.416 119.950 0.212 0.000 2.611 103 F HA 0.677 5.219 4.527 0.025 0.000 0.324 103 F C -0.375 175.568 175.800 0.238 0.000 1.061 103 F CA -0.924 57.189 58.000 0.188 0.000 0.954 103 F CB 1.624 40.683 39.000 0.099 0.000 1.301 103 F HN 0.043 nan 8.300 nan 0.000 0.482 104 I N 2.585 123.386 120.570 0.385 0.000 2.582 104 I HA 0.464 4.649 4.170 0.025 0.000 0.292 104 I C -1.681 174.497 176.117 0.102 0.000 1.066 104 I CA -0.904 60.552 61.300 0.260 0.000 1.053 104 I CB 2.383 40.539 38.000 0.260 0.000 1.241 104 I HN 0.289 nan 8.210 nan 0.000 0.421 105 L N 5.144 126.388 121.223 0.035 0.000 2.441 105 L HA 0.834 5.189 4.340 0.025 0.000 0.270 105 L C -0.326 176.406 176.870 -0.229 0.000 0.973 105 L CA 0.175 54.941 54.840 -0.125 0.000 0.842 105 L CB 1.607 43.701 42.059 0.058 0.000 1.239 105 L HN 0.671 nan 8.230 nan 0.000 0.406 106 G N 2.189 110.671 108.800 -0.530 0.000 2.644 106 G HA2 0.350 4.325 3.960 0.025 0.000 0.307 106 G HA3 0.350 4.325 3.960 0.025 0.000 0.307 106 G C -0.194 174.673 174.900 -0.055 0.000 1.250 106 G CA -0.393 44.530 45.100 -0.295 0.000 0.996 106 G HN 0.555 nan 8.290 nan 0.000 0.489 107 D N -0.517 119.905 120.400 0.036 0.000 2.219 107 D HA -0.035 4.620 4.640 0.025 0.000 0.205 107 D C 1.934 178.191 176.300 -0.072 0.000 0.970 107 D CA 0.931 54.973 54.000 0.071 0.000 0.851 107 D CB 0.443 41.280 40.800 0.062 0.000 0.943 107 D HN 0.372 nan 8.370 nan 0.000 0.488 108 E N -0.848 119.332 120.200 -0.033 0.000 2.364 108 E HA 0.121 4.487 4.350 0.025 0.000 0.196 108 E C 0.362 176.883 176.600 -0.131 0.000 0.990 108 E CA 0.053 56.423 56.400 -0.050 0.000 0.886 108 E CB 0.529 30.345 29.700 0.193 0.000 0.866 108 E HN 0.347 nan 8.360 nan 0.000 0.493 109 F N -1.081 118.724 119.950 -0.241 0.000 2.713 109 F HA 0.763 5.305 4.527 0.024 0.000 0.311 109 F C -1.626 174.255 175.800 0.134 0.000 1.141 109 F CA -1.757 56.060 58.000 -0.305 0.000 0.939 109 F CB 0.960 39.370 39.000 -0.982 0.000 1.325 109 F HN -0.185 nan 8.300 nan 0.000 0.453 110 A N 1.300 124.170 122.820 0.085 0.000 2.515 110 A HA 0.869 5.204 4.320 0.025 0.000 0.298 110 A C -2.079 175.622 177.584 0.196 0.000 1.059 110 A CA -0.880 51.158 52.037 0.003 0.000 0.698 110 A CB 1.853 20.821 19.000 -0.054 0.000 1.289 110 A HN 1.153 nan 8.150 nan 0.000 0.404 111 V N 1.633 121.673 119.914 0.209 0.000 2.709 111 V HA 0.595 4.730 4.120 0.025 0.000 0.308 111 V C -1.123 175.098 176.094 0.211 0.000 1.062 111 V CA -0.496 61.946 62.300 0.237 0.000 0.901 111 V CB 1.599 33.577 31.823 0.257 0.000 1.003 111 V HN 0.962 nan 8.190 nan 0.000 0.425 112 L N 4.972 126.291 121.223 0.160 0.000 2.333 112 L HA 0.761 5.116 4.340 0.025 0.000 0.280 112 L C -0.453 176.434 176.870 0.027 0.000 1.004 112 L CA -0.184 54.636 54.840 -0.034 0.000 0.820 112 L CB 1.329 43.393 42.059 0.009 0.000 1.247 112 L HN 0.773 nan 8.230 nan 0.000 0.416 113 R N 5.255 125.708 120.500 -0.079 0.000 2.513 113 R HA 0.712 5.067 4.340 0.025 0.000 0.301 113 R C -1.844 174.430 176.300 -0.043 0.000 0.968 113 R CA -0.520 55.514 56.100 -0.111 0.000 0.872 113 R CB 1.159 31.379 30.300 -0.133 0.000 1.177 113 R HN 0.721 nan 8.270 nan 0.000 0.444 114 F N 1.118 120.930 119.950 -0.230 0.000 2.685 114 F HA 0.544 5.086 4.527 0.025 0.000 0.315 114 F C -1.980 173.646 175.800 -0.292 0.000 1.126 114 F CA -1.359 56.555 58.000 -0.144 0.000 0.950 114 F CB 0.999 39.991 39.000 -0.014 0.000 1.360 114 F HN 0.244 nan 8.300 nan 0.000 0.469 115 Y N 0.985 121.389 120.300 0.173 0.000 2.341 115 Y HA 0.686 5.252 4.550 0.027 0.000 0.337 115 Y C -0.091 175.911 175.900 0.170 0.000 1.014 115 Y CA -0.752 57.382 58.100 0.055 0.000 1.111 115 Y CB 1.770 40.268 38.460 0.063 0.000 1.194 115 Y HN 0.460 nan 8.280 nan 0.000 0.462 116 R N 2.088 122.680 120.500 0.153 0.000 2.476 116 R HA 0.275 4.630 4.340 0.025 0.000 0.305 116 R C -0.661 175.691 176.300 0.088 0.000 0.965 116 R CA -0.911 55.274 56.100 0.142 0.000 0.867 116 R CB 0.809 31.108 30.300 -0.000 0.000 1.176 116 R HN 0.884 nan 8.270 nan 0.000 0.447 117 N N 1.839 120.607 118.700 0.113 0.000 2.714 117 N HA -0.255 4.500 4.740 0.025 0.000 0.252 117 N C 0.626 176.176 175.510 0.067 0.000 1.014 117 N CA 0.758 53.855 53.050 0.078 0.000 0.735 117 N CB -0.653 37.865 38.487 0.052 0.000 0.924 117 N HN 1.108 nan 8.380 nan 0.000 0.540 118 G N -1.286 107.574 108.800 0.101 0.000 2.184 118 G HA2 -0.353 3.622 3.960 0.025 0.000 0.264 118 G HA3 -0.353 3.622 3.960 0.025 0.000 0.264 118 G C -0.206 174.752 174.900 0.095 0.000 0.975 118 G CA 0.700 45.854 45.100 0.090 0.000 0.642 118 G HN 0.581 nan 8.290 nan 0.000 0.536 119 E N 0.341 120.581 120.200 0.067 0.000 2.179 119 E HA 0.522 4.887 4.350 0.025 0.000 0.275 119 E C -0.464 176.036 176.600 -0.166 0.000 0.945 119 E CA -0.368 56.009 56.400 -0.038 0.000 0.792 119 E CB 1.760 31.403 29.700 -0.094 0.000 1.125 119 E HN 0.109 nan 8.360 nan 0.000 0.397 120 S N 3.303 118.826 115.700 -0.294 0.000 2.439 120 S HA 0.346 4.831 4.470 0.025 0.000 0.282 120 S C -0.415 173.848 174.600 -0.562 0.000 1.170 120 S CA -0.485 57.324 58.200 -0.652 0.000 1.054 120 S CB -0.106 62.781 63.200 -0.522 0.000 0.956 120 S HN 0.358 nan 8.310 nan 0.000 0.490 121 I N 4.177 124.299 120.570 -0.746 0.000 2.389 121 I HA 0.322 4.507 4.170 0.025 0.000 0.288 121 I C -0.122 175.592 176.117 -0.673 0.000 0.999 121 I CA -0.418 60.440 61.300 -0.738 0.000 1.129 121 I CB 2.123 39.548 38.000 -0.958 0.000 1.288 121 I HN 0.443 nan 8.210 nan 0.000 0.444 122 S N 5.044 120.449 115.700 -0.491 0.000 2.454 122 S HA 0.559 5.044 4.470 0.025 0.000 0.306 122 S C -1.036 173.353 174.600 -0.352 0.000 1.100 122 S CA -0.441 57.577 58.200 -0.303 0.000 1.087 122 S CB 0.800 63.865 63.200 -0.225 0.000 1.019 122 S HN 0.274 nan 8.310 nan 0.000 0.480 123 Y N 2.423 122.672 120.300 -0.086 0.000 2.331 123 Y HA 0.543 5.108 4.550 0.025 0.000 0.338 123 Y C 0.009 175.935 175.900 0.043 0.000 0.976 123 Y CA -0.608 57.481 58.100 -0.017 0.000 1.137 123 Y CB 0.721 39.204 38.460 0.039 0.000 1.172 123 Y HN 0.469 nan 8.280 nan 0.000 0.478 124 I N 3.562 124.231 120.570 0.166 0.000 2.410 124 I HA 0.650 4.835 4.170 0.025 0.000 0.286 124 I C -0.610 175.685 176.117 0.296 0.000 1.009 124 I CA -0.664 60.775 61.300 0.232 0.000 1.111 124 I CB 1.443 39.575 38.000 0.220 0.000 1.262 124 I HN 0.663 nan 8.210 nan 0.000 0.443 125 A N 6.203 129.212 122.820 0.315 0.000 2.332 125 A HA 0.729 5.064 4.320 0.025 0.000 0.300 125 A C -1.493 176.306 177.584 0.358 0.000 1.153 125 A CA -0.347 51.891 52.037 0.335 0.000 0.764 125 A CB 0.545 19.710 19.000 0.274 0.000 1.174 125 A HN 0.531 nan 8.150 nan 0.000 0.467 126 Y N 1.315 121.752 120.300 0.229 0.000 2.334 126 Y HA 0.353 4.918 4.550 0.025 0.000 0.328 126 Y C 1.537 177.457 175.900 0.033 0.000 1.130 126 Y CA -0.359 57.834 58.100 0.155 0.000 1.163 126 Y CB 1.975 40.500 38.460 0.110 0.000 1.207 126 Y HN 0.858 nan 8.280 nan 0.000 0.471 127 K N 0.885 121.193 120.400 -0.154 0.000 2.057 127 K HA -0.077 4.258 4.320 0.025 0.000 0.206 127 K C -0.145 176.435 176.600 -0.032 0.000 1.050 127 K CA 1.180 57.273 56.287 -0.323 0.000 0.935 127 K CB 0.185 32.234 32.500 -0.752 0.000 0.715 127 K HN 0.574 nan 8.250 nan 0.000 0.439 128 E N 0.128 120.348 120.200 0.032 0.000 2.283 128 E HA 0.076 4.441 4.350 0.025 0.000 0.278 128 E C 0.522 177.185 176.600 0.105 0.000 1.027 128 E CA 0.174 56.611 56.400 0.060 0.000 0.843 128 E CB 1.636 31.373 29.700 0.061 0.000 1.062 128 E HN 0.325 nan 8.360 nan 0.000 0.401 129 A N 3.269 126.146 122.820 0.095 0.000 1.902 129 A HA -0.262 4.073 4.320 0.025 0.000 0.217 129 A C 1.986 179.718 177.584 0.246 0.000 1.181 129 A CA 1.627 53.758 52.037 0.156 0.000 0.623 129 A CB -0.194 18.823 19.000 0.028 0.000 0.818 129 A HN 0.466 nan 8.150 nan 0.000 0.443 130 Q N -1.614 118.288 119.800 0.171 0.000 2.119 130 Q HA -0.089 4.266 4.340 0.025 0.000 0.201 130 Q C 1.947 177.993 176.000 0.076 0.000 0.972 130 Q CA 1.858 57.761 55.803 0.166 0.000 0.847 130 Q CB -0.302 28.502 28.738 0.110 0.000 0.903 130 Q HN 0.590 nan 8.270 nan 0.000 0.433 131 M N -1.040 118.589 119.600 0.047 0.000 2.200 131 M HA -0.012 4.483 4.480 0.025 0.000 0.265 131 M C 1.776 177.995 176.300 -0.135 0.000 1.066 131 M CA 1.326 56.594 55.300 -0.053 0.000 1.127 131 M CB -0.299 32.299 32.600 -0.003 0.000 1.379 131 M HN 0.333 nan 8.290 nan 0.000 0.420 132 M N 0.282 119.892 119.600 0.017 0.000 2.108 132 M HA -0.175 4.320 4.480 0.025 0.000 0.261 132 M C 1.813 178.110 176.300 -0.006 0.000 1.066 132 M CA 1.955 57.282 55.300 0.046 0.000 1.107 132 M CB -0.924 31.772 32.600 0.160 0.000 1.356 132 M HN 0.496 nan 8.290 nan 0.000 0.406 133 N N -0.092 118.619 118.700 0.018 0.000 2.120 133 N HA -0.222 4.533 4.740 0.025 0.000 0.188 133 N C 1.693 177.147 175.510 -0.094 0.000 1.024 133 N CA 1.869 54.866 53.050 -0.087 0.000 0.852 133 N CB -0.263 38.105 38.487 -0.199 0.000 1.003 133 N HN 0.620 nan 8.380 nan 0.000 0.424 134 E N -0.184 119.957 120.200 -0.099 0.000 2.058 134 E HA -0.173 4.192 4.350 0.025 0.000 0.194 134 E C 1.754 178.236 176.600 -0.198 0.000 0.997 134 E CA 1.109 57.432 56.400 -0.129 0.000 0.801 134 E CB -0.075 29.545 29.700 -0.132 0.000 0.746 134 E HN 0.357 nan 8.360 nan 0.000 0.450 135 I N 1.204 121.582 120.570 -0.320 0.000 2.252 135 I HA -0.219 3.966 4.170 0.025 0.000 0.245 135 I C 2.638 178.744 176.117 -0.018 0.000 1.102 135 I CA 1.206 62.277 61.300 -0.382 0.000 1.385 135 I CB -1.390 36.309 38.000 -0.502 0.000 1.064 135 I HN 0.210 nan 8.210 nan 0.000 0.414 136 A N 0.710 123.556 122.820 0.043 0.000 1.883 136 A HA -0.234 4.101 4.320 0.025 0.000 0.217 136 A C 2.244 179.924 177.584 0.160 0.000 1.186 136 A CA 1.787 53.923 52.037 0.165 0.000 0.624 136 A CB -0.693 18.348 19.000 0.067 0.000 0.822 136 A HN 0.475 nan 8.150 nan 0.000 0.444 137 E N -1.550 118.678 120.200 0.047 0.000 2.110 137 E HA -0.168 4.197 4.350 0.025 0.000 0.193 137 E C 1.783 178.374 176.600 -0.014 0.000 0.988 137 E CA 1.210 57.621 56.400 0.018 0.000 0.804 137 E CB -0.266 29.423 29.700 -0.018 0.000 0.745 137 E HN 0.745 nan 8.360 nan 0.000 0.458 138 F N 0.203 120.022 119.950 -0.217 0.000 2.102 138 F HA -0.256 4.286 4.527 0.024 0.000 0.298 138 F C 1.788 177.378 175.800 -0.350 0.000 1.105 138 F CA 1.517 59.310 58.000 -0.346 0.000 1.239 138 F CB -0.130 38.542 39.000 -0.546 0.000 0.991 138 F HN -0.000 nan 8.300 nan 0.000 0.474 139 Y N -0.384 119.773 120.300 -0.239 0.000 2.395 139 Y HA 0.022 4.587 4.550 0.025 0.000 0.293 139 Y C 2.451 177.993 175.900 -0.596 0.000 1.123 139 Y CA 0.456 58.321 58.100 -0.391 0.000 1.227 139 Y CB -0.494 37.901 38.460 -0.108 0.000 1.012 139 Y HN 0.167 nan 8.280 nan 0.000 0.552 140 A N 0.177 122.817 122.820 -0.300 0.000 1.968 140 A HA -0.079 4.256 4.320 0.025 0.000 0.217 140 A C 2.379 179.891 177.584 -0.120 0.000 1.169 140 A CA 1.315 53.193 52.037 -0.264 0.000 0.638 140 A CB -0.991 18.074 19.000 0.109 0.000 0.812 140 A HN 0.389 nan 8.150 nan 0.000 0.446 141 A N 0.641 123.348 122.820 -0.188 0.000 1.917 141 A HA -0.093 4.242 4.320 0.025 0.000 0.219 141 A C 0.261 177.708 177.584 -0.229 0.000 1.182 141 A CA 1.957 53.885 52.037 -0.181 0.000 0.633 141 A CB -1.761 17.110 19.000 -0.215 0.000 0.819 141 A HN 0.454 nan 8.150 nan 0.000 0.448 142 P HA -0.126 nan 4.420 nan 0.000 0.218 142 P C 0.858 177.856 177.300 -0.504 0.000 1.148 142 P CA 1.048 63.851 63.100 -0.495 0.000 0.822 142 P CB -0.199 31.059 31.700 -0.737 0.000 0.784 143 F N -0.861 118.970 119.950 -0.199 0.000 2.615 143 F HA 0.026 4.568 4.527 0.025 0.000 0.297 143 F C 2.054 177.809 175.800 -0.074 0.000 1.124 143 F CA 0.639 58.562 58.000 -0.129 0.000 1.451 143 F CB -0.453 38.467 39.000 -0.133 0.000 1.103 143 F HN -0.255 nan 8.300 nan 0.000 0.569 144 K N 0.828 121.262 120.400 0.056 0.000 2.097 144 K HA -0.130 4.205 4.320 0.025 0.000 0.205 144 K C 1.875 178.472 176.600 -0.004 0.000 1.050 144 K CA 1.050 57.354 56.287 0.029 0.000 0.938 144 K CB -0.290 32.212 32.500 0.003 0.000 0.718 144 K HN 0.043 nan 8.250 nan 0.000 0.442 145 K N -0.059 120.313 120.400 -0.047 0.000 2.283 145 K HA -0.089 4.246 4.320 0.025 0.000 0.202 145 K C 1.705 178.280 176.600 -0.041 0.000 1.048 145 K CA 1.593 57.846 56.287 -0.056 0.000 0.948 145 K CB 0.105 32.550 32.500 -0.091 0.000 0.742 145 K HN 0.410 nan 8.250 nan 0.000 0.458 146 T N -2.899 111.638 114.554 -0.029 0.000 2.980 146 T HA 0.026 4.391 4.350 0.025 0.000 0.239 146 T C 0.703 175.419 174.700 0.027 0.000 1.011 146 T CA -0.022 62.074 62.100 -0.006 0.000 1.171 146 T CB -0.055 68.812 68.868 -0.002 0.000 0.873 146 T HN 0.235 nan 8.240 nan 0.000 0.431 147 R N 0.759 121.296 120.500 0.062 0.000 3.267 147 R HA -0.182 4.174 4.340 0.025 0.000 0.254 147 R C 0.998 177.328 176.300 0.049 0.000 0.993 147 R CA 0.310 56.447 56.100 0.060 0.000 0.670 147 R CB -1.467 28.855 30.300 0.036 0.000 1.125 147 R HN 0.701 nan 8.270 nan 0.000 0.434 148 A N 1.163 124.021 122.820 0.064 0.000 1.970 148 A HA 0.017 4.352 4.320 0.025 0.000 0.216 148 A C 1.356 178.959 177.584 0.031 0.000 1.170 148 A CA 1.114 53.177 52.037 0.044 0.000 0.645 148 A CB 0.075 19.107 19.000 0.052 0.000 0.816 148 A HN 0.579 nan 8.150 nan 0.000 0.447 149 I N -0.477 120.114 120.570 0.034 0.000 6.133 149 I HA -0.234 3.951 4.170 0.025 0.000 0.126 149 I C -0.247 175.871 176.117 0.003 0.000 1.819 149 I CA 0.723 62.032 61.300 0.015 0.000 2.061 149 I CB -2.986 35.021 38.000 0.013 0.000 3.437 149 I HN 0.483 nan 8.210 nan 0.000 0.177 150 N N 1.266 119.968 118.700 0.005 0.000 2.714 150 N HA 0.104 4.859 4.740 0.025 0.000 0.298 150 N C 1.336 176.832 175.510 -0.025 0.000 1.298 150 N CA -0.085 52.960 53.050 -0.009 0.000 1.007 150 N CB 0.666 39.151 38.487 -0.003 0.000 1.318 150 N HN 0.584 nan 8.380 nan 0.000 0.516 151 E N 0.814 120.992 120.200 -0.038 0.000 2.057 151 E HA -0.060 4.305 4.350 0.025 0.000 0.190 151 E C 1.293 177.809 176.600 -0.140 0.000 0.969 151 E CA 0.779 57.129 56.400 -0.084 0.000 0.812 151 E CB 0.365 30.032 29.700 -0.054 0.000 0.777 151 E HN -0.054 nan 8.360 nan 0.000 0.455 152 K N 1.190 121.520 120.400 -0.117 0.000 2.113 152 K HA -0.174 4.161 4.320 0.025 0.000 0.208 152 K C 1.784 178.289 176.600 -0.158 0.000 1.047 152 K CA 1.509 57.707 56.287 -0.148 0.000 0.928 152 K CB -0.076 32.364 32.500 -0.100 0.000 0.716 152 K HN 0.225 nan 8.250 nan 0.000 0.446 153 E N -1.061 119.067 120.200 -0.120 0.000 2.208 153 E HA -0.079 4.286 4.350 0.025 0.000 0.193 153 E C 1.695 178.205 176.600 -0.149 0.000 0.988 153 E CA 0.886 57.215 56.400 -0.119 0.000 0.828 153 E CB 0.066 29.718 29.700 -0.081 0.000 0.763 153 E HN 0.354 nan 8.360 nan 0.000 0.478 154 A N 0.558 123.287 122.820 -0.152 0.000 1.924 154 A HA 0.120 4.455 4.320 0.025 0.000 0.211 154 A C 0.533 177.999 177.584 -0.197 0.000 1.198 154 A CA 0.272 52.219 52.037 -0.149 0.000 0.657 154 A CB 0.371 19.318 19.000 -0.089 0.000 0.852 154 A HN 0.227 nan 8.150 nan 0.000 0.454 155 F N -0.736 118.917 119.950 -0.494 0.000 2.604 155 F HA 0.609 5.151 4.527 0.025 0.000 0.316 155 F C -1.218 174.347 175.800 -0.392 0.000 1.136 155 F CA -0.736 56.930 58.000 -0.557 0.000 0.989 155 F CB 1.411 39.783 39.000 -1.047 0.000 1.258 155 F HN 0.120 nan 8.300 nan 0.000 0.451 156 E N 5.370 124.879 120.200 -1.152 0.000 2.304 156 E HA 0.444 4.809 4.350 0.025 0.000 0.277 156 E C -1.623 174.431 176.600 -0.911 0.000 0.898 156 E CA -0.712 55.151 56.400 -0.896 0.000 0.764 156 E CB 1.644 31.089 29.700 -0.425 0.000 1.216 156 E HN 0.808 nan 8.360 nan 0.000 0.419 157 C N 4.838 123.718 119.300 -0.701 0.000 2.585 157 C HA 0.381 4.857 4.460 0.025 0.000 0.406 157 C C 0.148 174.909 174.990 -0.381 0.000 1.312 157 C CA -0.643 58.090 59.018 -0.476 0.000 1.924 157 C CB -0.771 26.764 27.740 -0.342 0.000 2.578 157 C HN 0.473 nan 8.230 nan 0.000 0.580 158 I N 3.617 123.954 120.570 -0.389 0.000 2.377 158 I HA 0.411 4.596 4.170 0.025 0.000 0.293 158 I C -0.262 175.647 176.117 -0.347 0.000 0.987 158 I CA -0.325 60.853 61.300 -0.202 0.000 1.185 158 I CB 0.586 38.567 38.000 -0.032 0.000 1.341 158 I HN 0.611 nan 8.210 nan 0.000 0.455 159 Y N 2.664 122.981 120.300 0.028 0.000 2.549 159 Y HA 0.342 4.908 4.550 0.025 0.000 0.339 159 Y C 0.566 176.491 175.900 0.043 0.000 1.053 159 Y CA -0.810 57.316 58.100 0.042 0.000 1.105 159 Y CB 1.181 39.661 38.460 0.033 0.000 1.258 159 Y HN 0.462 nan 8.280 nan 0.000 0.478 160 D N 0.304 120.825 120.400 0.203 0.000 2.344 160 D HA 0.066 4.721 4.640 0.025 0.000 0.244 160 D C -0.470 175.889 176.300 0.098 0.000 1.134 160 D CA -0.014 54.058 54.000 0.120 0.000 0.930 160 D CB 1.012 41.872 40.800 0.100 0.000 1.175 160 D HN 0.590 nan 8.370 nan 0.000 0.437 161 S N 3.029 118.768 115.700 0.065 0.000 3.361 161 S HA -0.111 4.375 4.470 0.025 0.000 0.396 161 S C 1.207 175.832 174.600 0.042 0.000 1.165 161 S CA 0.505 58.733 58.200 0.047 0.000 1.192 161 S CB 0.133 63.351 63.200 0.030 0.000 0.843 161 S HN 0.695 nan 8.310 nan 0.000 0.528 162 R N 2.293 122.817 120.500 0.040 0.000 3.862 162 R HA -0.348 4.007 4.340 0.025 0.000 0.335 162 R C 0.602 176.920 176.300 0.031 0.000 0.387 162 R CA 2.498 58.615 56.100 0.027 0.000 1.138 162 R CB -1.859 28.452 30.300 0.018 0.000 0.907 162 R HN 0.811 nan 8.270 nan 0.000 0.580 163 T N -1.793 112.777 114.554 0.027 0.000 3.516 163 T HA 0.461 4.826 4.350 0.025 0.000 0.300 163 T C -0.402 174.316 174.700 0.030 0.000 0.995 163 T CA -0.488 61.630 62.100 0.029 0.000 0.982 163 T CB 0.481 69.359 68.868 0.017 0.000 1.199 163 T HN 0.311 nan 8.240 nan 0.000 0.481 164 R N 3.252 123.773 120.500 0.034 0.000 2.893 164 R HA 0.375 4.730 4.340 0.025 0.000 0.243 164 R C 0.784 177.106 176.300 0.037 0.000 1.481 164 R CA 0.403 56.521 56.100 0.030 0.000 1.250 164 R CB -1.075 29.240 30.300 0.026 0.000 1.213 164 R HN 0.709 nan 8.270 nan 0.000 0.609 165 S N -0.451 115.269 115.700 0.033 0.000 3.608 165 S HA -0.208 4.277 4.470 0.025 0.000 0.382 165 S C -0.030 174.605 174.600 0.058 0.000 0.945 165 S CA 0.372 58.593 58.200 0.036 0.000 1.256 165 S CB -1.540 61.679 63.200 0.031 0.000 0.913 165 S HN 0.687 nan 8.310 nan 0.000 0.518 166 A N -0.079 122.781 122.820 0.067 0.000 2.593 166 A HA 1.050 5.385 4.320 0.025 0.000 0.290 166 A C 0.954 178.599 177.584 0.102 0.000 1.126 166 A CA 0.043 52.145 52.037 0.108 0.000 0.695 166 A CB 0.830 19.896 19.000 0.110 0.000 1.290 166 A HN 2.246 nan 8.150 nan 0.000 0.414 167 G N -0.060 108.829 108.800 0.148 0.000 2.906 167 G HA2 -0.115 3.860 3.960 0.025 0.000 0.196 167 G HA3 -0.115 3.860 3.960 0.025 0.000 0.196 167 G C 0.834 175.795 174.900 0.102 0.000 2.215 167 G CA 0.542 45.682 45.100 0.066 0.000 1.518 167 G HN 0.677 nan 8.290 nan 0.000 0.495 168 K N 0.111 120.636 120.400 0.208 0.000 2.067 168 K HA 0.286 4.621 4.320 0.025 0.000 0.203 168 K C 0.332 177.238 176.600 0.509 0.000 1.048 168 K CA 0.740 57.206 56.287 0.298 0.000 0.954 168 K CB -0.182 32.516 32.500 0.330 0.000 0.737 168 K HN 0.398 nan 8.250 nan 0.000 0.444 169 Y N 1.918 122.348 120.300 0.217 0.000 2.360 169 Y HA 0.300 4.865 4.550 0.025 0.000 0.337 169 Y C -2.018 173.989 175.900 0.178 0.000 1.039 169 Y CA -3.755 54.461 58.100 0.194 0.000 1.109 169 Y CB 0.721 39.244 38.460 0.105 0.000 1.201 169 Y HN -0.007 nan 8.280 nan 0.000 0.458 170 P HA 0.048 nan 4.420 nan 0.000 0.272 170 P C 0.571 177.831 177.300 -0.066 0.000 1.230 170 P CA -0.029 62.836 63.100 -0.392 0.000 0.788 170 P CB 1.490 32.852 31.700 -0.565 0.000 0.949 171 V N -1.561 118.311 119.914 -0.070 0.000 3.565 171 V HA 0.197 4.332 4.120 0.025 0.000 0.260 171 V C 0.646 176.788 176.094 0.080 0.000 1.231 171 V CA 0.988 63.321 62.300 0.054 0.000 1.100 171 V CB -0.638 31.230 31.823 0.075 0.000 0.807 171 V HN 0.767 nan 8.190 nan 0.000 0.454 172 S N -1.667 114.043 115.700 0.016 0.000 2.661 172 S HA 0.762 5.247 4.470 0.025 0.000 0.268 172 S C -1.312 173.277 174.600 -0.019 0.000 1.162 172 S CA -0.447 57.800 58.200 0.078 0.000 0.817 172 S CB 2.080 65.373 63.200 0.154 0.000 1.141 172 S HN 0.269 nan 8.310 nan 0.000 0.477 173 V N 1.464 121.384 119.914 0.011 0.000 2.656 173 V HA 0.683 4.819 4.120 0.025 0.000 0.307 173 V C -0.816 175.141 176.094 -0.228 0.000 1.051 173 V CA -0.606 61.629 62.300 -0.108 0.000 0.893 173 V CB 1.929 33.790 31.823 0.064 0.000 0.999 173 V HN 0.906 nan 8.190 nan 0.000 0.426 174 K N 5.833 125.973 120.400 -0.433 0.000 2.235 174 K HA 0.619 4.955 4.320 0.025 0.000 0.266 174 K C -1.454 174.856 176.600 -0.483 0.000 0.980 174 K CA -0.377 55.493 56.287 -0.696 0.000 0.849 174 K CB 1.252 33.282 32.500 -0.784 0.000 1.098 174 K HN 0.643 nan 8.250 nan 0.000 0.445 175 I N 3.729 124.031 120.570 -0.447 0.000 2.468 175 I HA 0.151 4.336 4.170 0.025 0.000 0.285 175 I C -0.238 175.685 176.117 -0.324 0.000 1.039 175 I CA -0.877 60.260 61.300 -0.271 0.000 1.074 175 I CB 1.779 39.642 38.000 -0.228 0.000 1.228 175 I HN 0.444 nan 8.210 nan 0.000 0.436 176 N N 6.126 124.666 118.700 -0.266 0.000 2.469 176 N HA 0.165 4.921 4.740 0.025 0.000 0.239 176 N C 0.607 176.014 175.510 -0.171 0.000 1.053 176 N CA -0.062 52.833 53.050 -0.258 0.000 0.937 176 N CB 1.629 39.976 38.487 -0.234 0.000 1.163 176 N HN 0.408 nan 8.380 nan 0.000 0.509 177 V N 2.900 122.703 119.914 -0.185 0.000 2.427 177 V HA -0.163 3.972 4.120 0.025 0.000 0.248 177 V C 1.683 177.711 176.094 -0.109 0.000 1.051 177 V CA 1.438 63.658 62.300 -0.133 0.000 1.048 177 V CB -0.244 31.491 31.823 -0.147 0.000 0.666 177 V HN 0.621 nan 8.190 nan 0.000 0.456 178 D N 0.175 120.504 120.400 -0.119 0.000 2.117 178 D HA -0.153 4.502 4.640 0.025 0.000 0.198 178 D C 2.191 178.452 176.300 -0.066 0.000 0.982 178 D CA 1.179 55.124 54.000 -0.090 0.000 0.828 178 D CB -0.043 40.701 40.800 -0.093 0.000 0.967 178 D HN 0.457 nan 8.370 nan 0.000 0.464 179 K N 0.857 121.216 120.400 -0.068 0.000 2.097 179 K HA -0.017 4.318 4.320 0.025 0.000 0.205 179 K C 2.221 178.823 176.600 0.003 0.000 1.050 179 K CA 0.780 57.043 56.287 -0.040 0.000 0.938 179 K CB 0.010 32.475 32.500 -0.058 0.000 0.718 179 K HN -0.015 nan 8.250 nan 0.000 0.442 180 A N 2.147 124.980 122.820 0.022 0.000 1.877 180 A HA -0.207 4.128 4.320 0.025 0.000 0.216 180 A C 1.916 179.513 177.584 0.022 0.000 1.186 180 A CA 1.555 53.668 52.037 0.127 0.000 0.620 180 A CB -0.330 18.768 19.000 0.165 0.000 0.822 180 A HN 0.188 nan 8.150 nan 0.000 0.443 181 K N -0.152 120.217 120.400 -0.051 0.000 2.113 181 K HA -0.186 4.149 4.320 0.025 0.000 0.208 181 K C 2.087 178.653 176.600 -0.056 0.000 1.047 181 K CA 1.847 58.079 56.287 -0.091 0.000 0.928 181 K CB -0.169 32.272 32.500 -0.099 0.000 0.716 181 K HN 0.463 nan 8.250 nan 0.000 0.446 182 K N 0.536 120.919 120.400 -0.027 0.000 2.025 182 K HA -0.057 4.278 4.320 0.025 0.000 0.207 182 K C 2.129 178.727 176.600 -0.004 0.000 1.049 182 K CA 1.161 57.440 56.287 -0.014 0.000 0.933 182 K CB -0.084 32.412 32.500 -0.007 0.000 0.714 182 K HN 0.094 nan 8.250 nan 0.000 0.438 183 I N 1.132 121.716 120.570 0.024 0.000 2.252 183 I HA -0.257 3.928 4.170 0.025 0.000 0.245 183 I C 1.965 178.081 176.117 -0.002 0.000 1.102 183 I CA 1.219 62.548 61.300 0.049 0.000 1.385 183 I CB -0.100 37.995 38.000 0.158 0.000 1.064 183 I HN 0.119 nan 8.210 nan 0.000 0.414 184 L N -0.049 121.140 121.223 -0.057 0.000 2.478 184 L HA 0.022 4.377 4.340 0.025 0.000 0.223 184 L C 0.231 177.037 176.870 -0.107 0.000 1.140 184 L CA 0.349 55.101 54.840 -0.147 0.000 0.842 184 L CB -0.639 41.265 42.059 -0.258 0.000 0.953 184 L HN 0.357 nan 8.230 nan 0.000 0.452 185 N N 1.162 119.820 118.700 -0.070 0.000 2.708 185 N HA -0.197 4.558 4.740 0.025 0.000 0.255 185 N C -0.062 175.411 175.510 -0.062 0.000 1.046 185 N CA 0.029 53.047 53.050 -0.054 0.000 0.715 185 N CB -0.970 37.490 38.487 -0.044 0.000 0.895 185 N HN 0.221 nan 8.380 nan 0.000 0.545 186 L N 1.572 122.750 121.223 -0.076 0.000 2.453 186 L HA 0.255 4.610 4.340 0.025 0.000 0.272 186 L C -1.169 175.683 176.870 -0.029 0.000 1.182 186 L CA -0.864 53.930 54.840 -0.077 0.000 0.858 186 L CB 0.471 42.439 42.059 -0.151 0.000 1.120 186 L HN 0.087 nan 8.230 nan 0.000 0.474 187 P HA 0.007 nan 4.420 nan 0.000 0.271 187 P C 0.022 177.335 177.300 0.022 0.000 1.233 187 P CA -0.212 62.888 63.100 0.001 0.000 0.789 187 P CB 0.721 32.415 31.700 -0.011 0.000 0.951 188 E N 0.406 120.614 120.200 0.013 0.000 2.058 188 E HA -0.113 4.252 4.350 0.025 0.000 0.194 188 E C -0.184 176.434 176.600 0.030 0.000 0.997 188 E CA 0.949 57.366 56.400 0.030 0.000 0.801 188 E CB -0.657 29.053 29.700 0.016 0.000 0.746 188 E HN 0.510 nan 8.360 nan 0.000 0.450 189 C N 2.261 121.544 119.300 -0.028 0.000 1.753 189 C HA -0.132 4.343 4.460 0.025 0.000 0.230 189 C C -1.207 173.695 174.990 -0.147 0.000 0.818 189 C CA -0.169 58.780 59.018 -0.115 0.000 3.187 189 C CB -1.474 26.156 27.740 -0.183 0.000 1.812 189 C HN 0.351 nan 8.230 nan 0.000 0.261 190 D N 2.740 123.057 120.400 -0.137 0.000 2.198 190 D HA 0.337 4.992 4.640 0.025 0.000 0.245 190 D C -0.132 176.092 176.300 -0.127 0.000 1.079 190 D CA -0.203 53.726 54.000 -0.119 0.000 0.854 190 D CB 0.475 41.236 40.800 -0.064 0.000 1.148 190 D HN 0.493 nan 8.370 nan 0.000 0.456 191 Y N 1.924 122.176 120.300 -0.079 0.000 2.532 191 Y HA 0.126 4.696 4.550 0.032 0.000 0.337 191 Y C 0.063 175.963 175.900 0.000 0.000 1.274 191 Y CA -0.183 57.889 58.100 -0.048 0.000 1.817 191 Y CB -0.288 38.094 38.460 -0.131 0.000 1.769 191 Y HN 0.134 nan 8.280 nan 0.000 0.447 192 I N 2.189 122.838 120.570 0.132 0.000 2.382 192 I HA 0.174 4.359 4.170 0.025 0.000 0.285 192 I C 0.135 176.252 176.117 -0.001 0.000 1.007 192 I CA -1.102 60.241 61.300 0.072 0.000 1.142 192 I CB 0.828 38.832 38.000 0.006 0.000 1.289 192 I HN 0.560 nan 8.210 nan 0.000 0.453 193 N N 3.635 122.271 118.700 -0.107 0.000 2.758 193 N HA -0.187 4.568 4.740 0.025 0.000 0.248 193 N C 0.208 175.562 175.510 -0.260 0.000 1.076 193 N CA 0.825 53.667 53.050 -0.346 0.000 0.696 193 N CB -0.645 37.694 38.487 -0.246 0.000 0.979 193 N HN 0.763 nan 8.380 nan 0.000 0.550 194 D N -0.024 120.320 120.400 -0.094 0.000 2.413 194 D HA -0.007 4.648 4.640 0.025 0.000 0.237 194 D C -0.092 176.223 176.300 0.023 0.000 1.171 194 D CA 0.047 54.086 54.000 0.066 0.000 0.839 194 D CB -0.292 40.732 40.800 0.374 0.000 0.950 194 D HN 0.627 nan 8.370 nan 0.000 0.499 195 Y N -2.108 118.068 120.300 -0.208 0.000 2.581 195 Y HA 0.594 5.168 4.550 0.041 0.000 0.337 195 Y C -1.246 174.471 175.900 -0.305 0.000 1.108 195 Y CA -1.706 56.198 58.100 -0.327 0.000 1.033 195 Y CB 0.904 39.020 38.460 -0.574 0.000 1.318 195 Y HN -0.219 nan 8.280 nan 0.000 0.459 196 I N 2.934 123.390 120.570 -0.189 0.000 2.441 196 I HA 0.524 4.709 4.170 0.025 0.000 0.295 196 I C -1.006 175.136 176.117 0.042 0.000 0.994 196 I CA -1.173 59.972 61.300 -0.257 0.000 1.144 196 I CB 2.145 39.673 38.000 -0.786 0.000 1.314 196 I HN 0.715 nan 8.210 nan 0.000 0.445 197 K N 2.887 123.377 120.400 0.151 0.000 2.324 197 K HA 0.627 4.962 4.320 0.025 0.000 0.253 197 K C -0.422 176.334 176.600 0.261 0.000 0.932 197 K CA -0.722 55.706 56.287 0.234 0.000 0.799 197 K CB 1.784 34.385 32.500 0.169 0.000 1.154 197 K HN 0.666 nan 8.250 nan 0.000 0.425 198 T N -0.881 113.832 114.554 0.267 0.000 2.882 198 T HA 0.220 4.585 4.350 0.025 0.000 0.287 198 T C -1.203 173.551 174.700 0.090 0.000 1.014 198 T CA -1.338 60.854 62.100 0.153 0.000 1.049 198 T CB 0.614 69.522 68.868 0.067 0.000 1.001 198 T HN 0.479 nan 8.240 nan 0.000 0.525 199 P HA -0.082 nan 4.420 nan 0.000 0.214 199 P C 0.924 178.238 177.300 0.023 0.000 1.162 199 P CA 0.780 63.902 63.100 0.038 0.000 0.874 199 P CB -0.205 31.511 31.700 0.027 0.000 0.784 212 A N 0.395 123.229 122.820 0.022 0.000 5.481 212 A HA -0.276 4.060 4.320 0.025 0.000 0.318 212 A C 0.434 178.061 177.584 0.072 0.000 1.837 212 A CA 1.193 53.249 52.037 0.032 0.000 0.717 212 A CB -1.462 17.537 19.000 -0.000 0.000 1.349 212 A HN 0.385 nan 8.150 nan 0.000 0.388 213 V N 3.767 123.690 119.914 0.014 0.000 2.485 213 V HA 0.371 4.506 4.120 0.025 0.000 0.287 213 V C -1.396 174.627 176.094 -0.119 0.000 1.022 213 V CA 0.098 62.311 62.300 -0.145 0.000 1.067 213 V CB 0.299 32.009 31.823 -0.190 0.000 0.967 213 V HN 0.764 nan 8.190 nan 0.000 0.479 214 P HA 0.115 nan 4.420 nan 0.000 0.274 214 P C 0.971 178.234 177.300 -0.062 0.000 1.237 214 P CA -0.130 62.938 63.100 -0.054 0.000 0.793 214 P CB 0.956 32.648 31.700 -0.014 0.000 0.977 215 S N 0.807 116.488 115.700 -0.031 0.000 2.372 215 S HA -0.184 4.302 4.470 0.025 0.000 0.227 215 S C 0.480 175.064 174.600 -0.028 0.000 1.044 215 S CA 1.471 59.656 58.200 -0.025 0.000 1.050 215 S CB -0.321 62.872 63.200 -0.010 0.000 0.901 215 S HN 0.599 nan 8.310 nan 0.000 0.447 216 E N 0.659 120.849 120.200 -0.017 0.000 2.288 216 E HA 0.446 4.811 4.350 0.025 0.000 0.268 216 E C -2.850 173.747 176.600 -0.004 0.000 0.885 216 E CA -2.641 53.753 56.400 -0.011 0.000 0.767 216 E CB 1.688 31.393 29.700 0.008 0.000 1.220 216 E HN 0.146 nan 8.360 nan 0.000 0.427 217 P HA -0.061 nan 4.420 nan 0.000 0.266 217 P C -0.792 176.549 177.300 0.068 0.000 1.195 217 P CA 0.000 63.121 63.100 0.034 0.000 0.768 217 P CB 0.469 32.191 31.700 0.037 0.000 0.838 218 K N 1.938 122.403 120.400 0.108 0.000 2.322 218 K HA 0.161 4.496 4.320 0.025 0.000 0.283 218 K C -0.480 176.187 176.600 0.112 0.000 1.042 218 K CA -0.086 56.271 56.287 0.116 0.000 0.958 218 K CB 0.127 32.716 32.500 0.148 0.000 0.984 218 K HN 0.363 nan 8.250 nan 0.000 0.473 219 T N 3.493 118.109 114.554 0.103 0.000 2.761 219 T HA 0.196 4.561 4.350 0.025 0.000 0.296 219 T C -0.604 174.154 174.700 0.096 0.000 0.934 219 T CA -0.495 61.653 62.100 0.081 0.000 1.091 219 T CB 0.737 69.662 68.868 0.096 0.000 0.896 219 T HN 0.290 nan 8.240 nan 0.000 0.515 220 V N 4.806 124.734 119.914 0.022 0.000 2.409 220 V HA 0.339 4.474 4.120 0.025 0.000 0.291 220 V C -0.784 175.253 176.094 -0.095 0.000 1.020 220 V CA -1.044 61.256 62.300 0.001 0.000 0.848 220 V CB 0.957 32.722 31.823 -0.096 0.000 0.990 220 V HN 0.768 nan 8.190 nan 0.000 0.430 221 Y N 3.113 123.345 120.300 -0.114 0.000 2.304 221 Y HA 0.444 5.009 4.550 0.025 0.000 0.328 221 Y C 0.351 176.079 175.900 -0.287 0.000 1.123 221 Y CA -0.151 57.844 58.100 -0.175 0.000 1.218 221 Y CB 1.660 40.026 38.460 -0.156 0.000 1.207 221 Y HN 0.380 nan 8.280 nan 0.000 0.495 222 V N 6.554 126.336 119.914 -0.220 0.000 2.293 222 V HA 0.271 4.407 4.120 0.025 0.000 0.275 222 V C -0.158 175.918 176.094 -0.030 0.000 1.021 222 V CA -0.745 61.426 62.300 -0.215 0.000 0.815 222 V CB 0.434 31.985 31.823 -0.454 0.000 1.025 222 V HN 0.562 nan 8.190 nan 0.000 0.448 223 I N 4.496 124.983 120.570 -0.138 0.000 2.291 223 I HA 0.277 4.462 4.170 0.025 0.000 0.292 223 I C 0.026 176.186 176.117 0.071 0.000 1.064 223 I CA 0.053 61.289 61.300 -0.107 0.000 1.269 223 I CB 0.632 38.421 38.000 -0.352 0.000 1.418 223 I HN 0.507 nan 8.210 nan 0.000 0.485 224 C N 7.317 126.685 119.300 0.113 0.000 2.330 224 C HA 0.565 5.040 4.460 0.025 0.000 0.344 224 C C 0.222 175.224 174.990 0.020 0.000 1.273 224 C CA -0.682 58.443 59.018 0.178 0.000 1.879 224 C CB 0.115 27.987 27.740 0.220 0.000 2.376 224 C HN 0.568 nan 8.230 nan 0.000 0.534 225 L N 3.685 124.962 121.223 0.091 0.000 2.343 225 L HA 0.499 4.854 4.340 0.025 0.000 0.278 225 L C 0.390 177.302 176.870 0.069 0.000 0.996 225 L CA -0.441 54.425 54.840 0.043 0.000 0.831 225 L CB 0.843 43.008 42.059 0.177 0.000 1.232 225 L HN 0.659 nan 8.230 nan 0.000 0.413 226 R N 3.482 124.019 120.500 0.062 0.000 2.399 226 R HA 0.024 4.379 4.340 0.025 0.000 0.324 226 R C 0.216 176.562 176.300 0.077 0.000 1.030 226 R CA -0.159 55.978 56.100 0.061 0.000 0.984 226 R CB 0.436 30.769 30.300 0.055 0.000 0.961 226 R HN 0.611 nan 8.270 nan 0.000 0.433 227 E N 3.634 123.874 120.200 0.067 0.000 2.529 227 E HA -0.183 4.182 4.350 0.025 0.000 0.259 227 E C -0.373 176.256 176.600 0.048 0.000 0.966 227 E CA -0.116 56.331 56.400 0.078 0.000 0.937 227 E CB 0.458 30.193 29.700 0.058 0.000 0.923 227 E HN 0.484 nan 8.360 nan 0.000 0.468 228 N N 3.183 121.916 118.700 0.055 0.000 2.359 228 N HA -0.064 4.691 4.740 0.025 0.000 0.261 228 N C 0.648 176.151 175.510 -0.011 0.000 1.267 228 N CA 1.572 54.637 53.050 0.025 0.000 0.864 228 N CB 0.438 38.937 38.487 0.019 0.000 1.063 228 N HN 0.734 nan 8.380 nan 0.000 0.474 229 G N 1.354 110.144 108.800 -0.017 0.000 2.195 229 G HA2 -0.251 3.725 3.960 0.025 0.000 0.246 229 G HA3 -0.251 3.725 3.960 0.025 0.000 0.246 229 G C 0.188 175.056 174.900 -0.054 0.000 0.984 229 G CA 0.477 45.554 45.100 -0.038 0.000 0.633 229 G HN 0.933 nan 8.290 nan 0.000 0.525 230 S N 0.238 115.910 115.700 -0.046 0.000 2.586 230 S HA 0.666 5.151 4.470 0.025 0.000 0.274 230 S C 0.229 174.767 174.600 -0.103 0.000 1.281 230 S CA 0.845 59.008 58.200 -0.063 0.000 1.035 230 S CB 1.153 64.334 63.200 -0.032 0.000 0.962 230 S HN 0.537 nan 8.310 nan 0.000 0.512 231 T N 4.028 118.483 114.554 -0.165 0.000 2.786 231 T HA 0.552 4.917 4.350 0.025 0.000 0.283 231 T C -0.486 174.013 174.700 -0.335 0.000 0.992 231 T CA -0.596 61.332 62.100 -0.287 0.000 0.954 231 T CB 0.883 69.512 68.868 -0.400 0.000 0.934 231 T HN 0.772 nan 8.240 nan 0.000 0.440 232 V N 1.237 120.967 119.914 -0.308 0.000 2.769 232 V HA 0.731 4.866 4.120 0.025 0.000 0.312 232 V C -1.501 174.386 176.094 -0.345 0.000 1.061 232 V CA -1.208 60.953 62.300 -0.233 0.000 0.931 232 V CB 1.255 33.056 31.823 -0.037 0.000 1.010 232 V HN 0.690 nan 8.190 nan 0.000 0.433 233 Y N 4.076 124.330 120.300 -0.077 0.000 2.323 233 Y HA 0.523 5.087 4.550 0.025 0.000 0.331 233 Y C -1.405 174.448 175.900 -0.077 0.000 1.092 233 Y CA -2.072 55.968 58.100 -0.099 0.000 1.150 233 Y CB 1.757 40.132 38.460 -0.143 0.000 1.200 233 Y HN 0.465 nan 8.280 nan 0.000 0.472 234 P HA -0.180 nan 4.420 nan 0.000 0.218 234 P C 0.866 177.824 177.300 -0.570 0.000 1.149 234 P CA 1.672 64.593 63.100 -0.298 0.000 0.817 234 P CB 0.226 31.650 31.700 -0.459 0.000 0.785 235 N N 0.887 119.244 118.700 -0.571 0.000 2.166 235 N HA -0.178 4.577 4.740 0.025 0.000 0.186 235 N C 1.492 177.037 175.510 0.059 0.000 1.019 235 N CA 1.271 54.175 53.050 -0.244 0.000 0.856 235 N CB -0.667 37.863 38.487 0.071 0.000 0.993 235 N HN 0.240 nan 8.380 nan 0.000 0.426 236 E N 0.534 120.817 120.200 0.139 0.000 2.072 236 E HA -0.045 4.320 4.350 0.025 0.000 0.190 236 E C 2.236 178.893 176.600 0.096 0.000 0.982 236 E CA 0.879 57.387 56.400 0.180 0.000 0.803 236 E CB 0.078 29.956 29.700 0.296 0.000 0.755 236 E HN 0.159 nan 8.360 nan 0.000 0.453 237 V N 1.253 121.205 119.914 0.063 0.000 2.295 237 V HA -0.242 3.893 4.120 0.025 0.000 0.246 237 V C 2.322 178.411 176.094 -0.007 0.000 1.049 237 V CA 1.827 64.143 62.300 0.026 0.000 1.024 237 V CB -0.449 31.393 31.823 0.032 0.000 0.648 237 V HN 0.183 nan 8.190 nan 0.000 0.447 238 S N 0.216 115.933 115.700 0.028 0.000 2.370 238 S HA -0.197 4.288 4.470 0.025 0.000 0.226 238 S C 2.236 176.844 174.600 0.014 0.000 1.033 238 S CA 1.476 59.709 58.200 0.055 0.000 1.011 238 S CB -0.542 62.809 63.200 0.253 0.000 0.852 238 S HN 0.657 nan 8.310 nan 0.000 0.457 239 A N 1.650 124.501 122.820 0.053 0.000 1.883 239 A HA -0.170 4.165 4.320 0.025 0.000 0.217 239 A C 2.181 179.753 177.584 -0.021 0.000 1.186 239 A CA 1.328 53.387 52.037 0.038 0.000 0.624 239 A CB -0.626 18.411 19.000 0.061 0.000 0.822 239 A HN 0.397 nan 8.150 nan 0.000 0.444 240 Q N -0.699 119.078 119.800 -0.038 0.000 2.096 240 Q HA -0.184 4.171 4.340 0.025 0.000 0.204 240 Q C 2.227 178.124 176.000 -0.172 0.000 0.982 240 Q CA 1.818 57.575 55.803 -0.076 0.000 0.850 240 Q CB -0.466 28.229 28.738 -0.072 0.000 0.901 240 Q HN 0.792 nan 8.270 nan 0.000 0.422 241 M N 0.294 119.709 119.600 -0.307 0.000 2.086 241 M HA -0.228 4.267 4.480 0.025 0.000 0.261 241 M C 2.381 178.366 176.300 -0.526 0.000 1.067 241 M CA 1.653 56.504 55.300 -0.749 0.000 1.116 241 M CB -0.376 31.538 32.600 -1.143 0.000 1.348 241 M HN 0.201 nan 8.290 nan 0.000 0.407 242 Q N 0.664 120.313 119.800 -0.252 0.000 2.050 242 Q HA -0.217 4.138 4.340 0.025 0.000 0.202 242 Q C 1.334 177.328 176.000 -0.010 0.000 0.980 242 Q CA 1.802 57.564 55.803 -0.068 0.000 0.840 242 Q CB 0.053 28.802 28.738 0.019 0.000 0.898 242 Q HN 0.428 nan 8.270 nan 0.000 0.424 243 D N 0.148 120.526 120.400 -0.037 0.000 2.144 243 D HA -0.115 4.540 4.640 0.025 0.000 0.200 243 D C 1.731 177.997 176.300 -0.058 0.000 0.978 243 D CA 1.284 55.255 54.000 -0.049 0.000 0.833 243 D CB -0.272 40.494 40.800 -0.056 0.000 0.961 243 D HN 0.416 nan 8.370 nan 0.000 0.470 244 A N 1.231 124.028 122.820 -0.037 0.000 1.858 244 A HA -0.068 4.267 4.320 0.025 0.000 0.216 244 A C 2.342 179.957 177.584 0.051 0.000 1.190 244 A CA 2.387 54.439 52.037 0.026 0.000 0.617 244 A CB -0.839 18.214 19.000 0.088 0.000 0.827 244 A HN 0.235 nan 8.150 nan 0.000 0.443 245 A N 0.185 123.068 122.820 0.104 0.000 1.877 245 A HA -0.208 4.127 4.320 0.025 0.000 0.216 245 A C 1.891 179.333 177.584 -0.237 0.000 1.186 245 A CA 1.929 53.948 52.037 -0.029 0.000 0.620 245 A CB -0.682 18.466 19.000 0.248 0.000 0.822 245 A HN 0.539 nan 8.150 nan 0.000 0.443 246 N N 0.444 119.176 118.700 0.053 0.000 2.309 246 N HA -0.126 4.629 4.740 0.025 0.000 0.182 246 N C 2.004 177.638 175.510 0.206 0.000 1.018 246 N CA 1.618 54.798 53.050 0.217 0.000 0.876 246 N CB -0.475 38.175 38.487 0.272 0.000 0.972 246 N HN 0.663 nan 8.380 nan 0.000 0.434 247 S N -0.241 115.494 115.700 0.059 0.000 2.399 247 S HA -0.067 4.418 4.470 0.025 0.000 0.231 247 S C 2.027 176.733 174.600 0.176 0.000 1.022 247 S CA 1.013 59.276 58.200 0.104 0.000 0.983 247 S CB -0.574 62.601 63.200 -0.042 0.000 0.803 247 S HN 0.038 nan 8.310 nan 0.000 0.480 248 V N 0.635 120.546 119.914 -0.004 0.000 2.346 248 V HA -0.044 4.091 4.120 0.025 0.000 0.244 248 V C 2.225 178.306 176.094 -0.022 0.000 1.037 248 V CA 1.537 63.791 62.300 -0.078 0.000 1.029 248 V CB -1.139 30.551 31.823 -0.221 0.000 0.663 248 V HN 0.565 nan 8.190 nan 0.000 0.454 249 Y N 0.705 121.084 120.300 0.131 0.000 2.333 249 Y HA -0.114 4.453 4.550 0.027 0.000 0.290 249 Y C 2.509 178.463 175.900 0.090 0.000 1.144 249 Y CA 0.675 58.841 58.100 0.110 0.000 1.228 249 Y CB -0.481 38.048 38.460 0.114 0.000 0.985 249 Y HN 0.230 nan 8.280 nan 0.000 0.542 250 A N 0.062 123.030 122.820 0.247 0.000 2.125 250 A HA 0.009 4.344 4.320 0.025 0.000 0.219 250 A C 0.831 178.434 177.584 0.032 0.000 1.156 250 A CA 0.647 52.769 52.037 0.141 0.000 0.671 250 A CB -0.652 18.468 19.000 0.200 0.000 0.794 250 A HN 0.110 nan 8.150 nan 0.000 0.459 251 V N 1.028 120.948 119.914 0.009 0.000 2.370 251 V HA 0.285 4.420 4.120 0.025 0.000 0.279 251 V C 0.331 176.327 176.094 -0.162 0.000 1.029 251 V CA -0.579 61.623 62.300 -0.163 0.000 0.870 251 V CB 0.391 32.099 31.823 -0.191 0.000 0.984 251 V HN 0.619 nan 8.190 nan 0.000 0.451 252 H N 3.278 122.207 119.070 -0.234 0.000 2.690 252 H HA -0.208 4.357 4.556 0.014 0.000 0.309 252 H C 1.534 176.789 175.328 -0.120 0.000 1.138 252 H CA 1.099 56.927 56.048 -0.368 0.000 1.142 252 H CB -1.146 27.971 29.762 -1.076 0.000 1.410 252 H HN 1.330 nan 8.280 nan 0.000 0.409 253 G N 0.155 109.024 108.800 0.114 0.000 2.356 253 G HA2 -0.333 3.642 3.960 0.025 0.000 0.296 253 G HA3 -0.333 3.642 3.960 0.025 0.000 0.296 253 G C 1.181 176.258 174.900 0.294 0.000 1.022 253 G CA 0.477 45.691 45.100 0.191 0.000 0.961 253 G HN 0.573 nan 8.290 nan 0.000 0.510 254 L N -0.561 120.826 121.223 0.274 0.000 2.549 254 L HA -0.015 4.340 4.340 0.025 0.000 0.229 254 L C 2.856 179.986 176.870 0.433 0.000 1.158 254 L CA 1.679 56.749 54.840 0.384 0.000 0.842 254 L CB -0.186 42.000 42.059 0.212 0.000 0.952 254 L HN 0.677 nan 8.230 nan 0.000 0.452 255 K N 0.102 120.694 120.400 0.321 0.000 2.280 255 K HA -0.181 4.154 4.320 0.025 0.000 0.202 255 K C 1.876 178.527 176.600 0.084 0.000 1.047 255 K CA 1.004 57.373 56.287 0.137 0.000 0.942 255 K CB -0.169 32.254 32.500 -0.128 0.000 0.739 255 K HN 0.270 nan 8.250 nan 0.000 0.457 256 R N -0.440 120.111 120.500 0.085 0.000 2.148 256 R HA -0.085 4.270 4.340 0.025 0.000 0.227 256 R C 1.209 177.375 176.300 -0.223 0.000 1.103 256 R CA 1.542 57.567 56.100 -0.126 0.000 0.983 256 R CB -0.191 29.944 30.300 -0.275 0.000 0.874 256 R HN 0.365 nan 8.270 nan 0.000 0.451 257 Y N -0.922 119.457 120.300 0.131 0.000 2.522 257 Y HA 0.147 4.717 4.550 0.033 0.000 0.277 257 Y C 0.746 176.725 175.900 0.133 0.000 1.104 257 Y CA -0.375 57.807 58.100 0.136 0.000 1.260 257 Y CB 0.869 39.431 38.460 0.169 0.000 1.151 257 Y HN -0.190 nan 8.280 nan 0.000 0.539 258 V N -1.901 118.198 119.914 0.310 0.000 2.971 258 V HA 0.535 4.670 4.120 0.025 0.000 0.309 258 V C -1.241 175.011 176.094 0.264 0.000 1.130 258 V CA -1.112 61.337 62.300 0.247 0.000 0.964 258 V CB 2.109 34.067 31.823 0.225 0.000 1.029 258 V HN 0.150 nan 8.190 nan 0.000 0.427 259 N N 2.782 121.593 118.700 0.185 0.000 2.410 259 N HA 0.613 5.369 4.740 0.025 0.000 0.287 259 N C -1.341 174.235 175.510 0.110 0.000 1.044 259 N CA -0.690 52.466 53.050 0.176 0.000 0.881 259 N CB 2.251 40.771 38.487 0.055 0.000 1.405 259 N HN 0.651 nan 8.380 nan 0.000 0.490 260 L N 1.985 123.302 121.223 0.156 0.000 2.326 260 L HA 0.301 4.656 4.340 0.025 0.000 0.278 260 L C -0.018 176.792 176.870 -0.100 0.000 1.092 260 L CA -0.351 54.444 54.840 -0.075 0.000 0.810 260 L CB 0.709 42.677 42.059 -0.152 0.000 1.153 260 L HN 0.513 nan 8.230 nan 0.000 0.439 261 H N 3.287 122.104 119.070 -0.421 0.000 2.762 261 H HA 0.402 4.973 4.556 0.024 0.000 0.310 261 H C -1.210 173.905 175.328 -0.354 0.000 1.004 261 H CA -0.750 55.052 56.048 -0.409 0.000 1.267 261 H CB 0.832 30.080 29.762 -0.857 0.000 1.437 261 H HN 0.359 nan 8.280 nan 0.000 0.498 262 F N 4.869 124.954 119.950 0.226 0.000 2.394 262 F HA 0.341 4.882 4.527 0.023 0.000 0.340 262 F C 0.007 175.974 175.800 0.278 0.000 1.105 262 F CA -0.645 57.475 58.000 0.200 0.000 1.124 262 F CB 1.449 40.537 39.000 0.147 0.000 1.145 262 F HN 0.254 nan 8.300 nan 0.000 0.505 263 V N 2.299 122.445 119.914 0.388 0.000 2.876 263 V HA 0.807 4.942 4.120 0.025 0.000 0.312 263 V C -1.657 174.573 176.094 0.227 0.000 1.085 263 V CA -1.033 61.468 62.300 0.336 0.000 0.945 263 V CB 1.849 33.881 31.823 0.348 0.000 1.017 263 V HN 0.646 nan 8.190 nan 0.000 0.428 264 L N 5.320 126.680 121.223 0.229 0.000 2.385 264 L HA 0.944 5.299 4.340 0.025 0.000 0.273 264 L C -0.914 176.087 176.870 0.218 0.000 0.990 264 L CA -0.215 54.699 54.840 0.124 0.000 0.821 264 L CB 1.699 43.846 42.059 0.147 0.000 1.279 264 L HN 0.958 nan 8.230 nan 0.000 0.412 265 Y N 0.075 120.458 120.300 0.138 0.000 2.840 265 Y HA 0.757 5.322 4.550 0.026 0.000 0.324 265 Y C -0.656 175.313 175.900 0.115 0.000 1.378 265 Y CA -1.203 56.963 58.100 0.110 0.000 1.077 265 Y CB 0.697 39.213 38.460 0.093 0.000 1.361 265 Y HN 0.398 nan 8.280 nan 0.000 0.459 266 T N 1.335 116.078 114.554 0.315 0.000 2.882 266 T HA 0.442 4.807 4.350 0.025 0.000 0.287 266 T C -0.300 174.544 174.700 0.241 0.000 0.992 266 T CA -0.329 61.892 62.100 0.200 0.000 1.076 266 T CB 1.294 70.249 68.868 0.145 0.000 0.961 266 T HN 0.774 nan 8.240 nan 0.000 0.490 267 T N 1.011 115.683 114.554 0.196 0.000 2.952 267 T HA 0.262 4.627 4.350 0.025 0.000 0.286 267 T C 0.971 175.781 174.700 0.184 0.000 1.024 267 T CA -0.785 61.448 62.100 0.223 0.000 1.029 267 T CB 1.036 70.075 68.868 0.285 0.000 1.094 267 T HN 0.460 nan 8.240 nan 0.000 0.515 268 E N 1.317 121.624 120.200 0.178 0.000 2.285 268 E HA -0.005 4.360 4.350 0.025 0.000 0.194 268 E C 0.019 176.711 176.600 0.153 0.000 0.997 268 E CA 0.369 56.850 56.400 0.135 0.000 0.845 268 E CB -0.194 29.573 29.700 0.111 0.000 0.782 268 E HN 0.678 nan 8.360 nan 0.000 0.491 269 Y N 1.418 121.782 120.300 0.108 0.000 2.526 269 Y HA 0.244 4.809 4.550 0.026 0.000 0.330 269 Y C -0.218 175.748 175.900 0.111 0.000 1.156 269 Y CA -0.426 57.749 58.100 0.125 0.000 1.419 269 Y CB 0.490 39.073 38.460 0.205 0.000 1.250 269 Y HN -0.117 nan 8.280 nan 0.000 0.540 270 A N 4.908 127.335 122.820 -0.655 0.000 2.435 270 A HA 0.552 4.887 4.320 0.025 0.000 0.304 270 A C -1.062 176.036 177.584 -0.811 0.000 1.064 270 A CA -0.782 50.953 52.037 -0.503 0.000 0.727 270 A CB 0.411 19.278 19.000 -0.222 0.000 1.284 270 A HN 0.852 nan 8.150 nan 0.000 0.415 271 C N 3.335 122.441 119.300 -0.323 0.000 2.634 271 C HA 0.287 4.762 4.460 0.025 0.000 0.418 271 C C -0.386 174.561 174.990 -0.070 0.000 1.373 271 C CA -0.061 58.919 59.018 -0.064 0.000 1.756 271 C CB -0.132 27.764 27.740 0.260 0.000 2.589 271 C HN 0.754 nan 8.230 nan 0.000 0.602 272 P HA -0.004 nan 4.420 nan 0.000 0.236 272 P C 0.320 177.629 177.300 0.016 0.000 1.177 272 P CA 0.929 64.019 63.100 -0.017 0.000 0.773 272 P CB 0.246 31.954 31.700 0.014 0.000 0.878 273 S N -2.628 113.104 115.700 0.054 0.000 2.752 273 S HA 0.553 5.038 4.470 0.025 0.000 0.284 273 S C 1.111 175.775 174.600 0.107 0.000 1.189 273 S CA -0.110 58.124 58.200 0.058 0.000 0.835 273 S CB 0.645 63.877 63.200 0.053 0.000 1.192 273 S HN -0.061 nan 8.310 nan 0.000 0.506 274 G N 0.440 109.296 108.800 0.092 0.000 2.848 274 G HA2 0.057 4.032 3.960 0.025 0.000 0.208 274 G HA3 0.057 4.032 3.960 0.025 0.000 0.208 274 G C 0.413 175.456 174.900 0.239 0.000 1.152 274 G CA -0.196 44.987 45.100 0.138 0.000 0.789 274 G HN 0.688 nan 8.290 nan 0.000 0.531 275 N N 1.157 119.955 118.700 0.163 0.000 2.416 275 N HA 0.234 4.989 4.740 0.025 0.000 0.265 275 N C 1.513 177.064 175.510 0.068 0.000 1.195 275 N CA 0.358 53.469 53.050 0.101 0.000 0.943 275 N CB 1.344 39.861 38.487 0.049 0.000 1.115 275 N HN 0.042 nan 8.380 nan 0.000 0.481 276 A N 3.921 126.716 122.820 -0.043 0.000 1.902 276 A HA -0.187 4.148 4.320 0.025 0.000 0.217 276 A C 1.812 179.216 177.584 -0.299 0.000 1.181 276 A CA 1.669 53.474 52.037 -0.387 0.000 0.623 276 A CB -0.433 18.321 19.000 -0.411 0.000 0.818 276 A HN 0.792 nan 8.150 nan 0.000 0.443 277 D N -1.026 119.260 120.400 -0.191 0.000 2.117 277 D HA -0.182 4.473 4.640 0.025 0.000 0.197 277 D C 2.016 178.251 176.300 -0.109 0.000 0.987 277 D CA 1.555 55.444 54.000 -0.186 0.000 0.829 277 D CB -0.022 40.691 40.800 -0.145 0.000 0.961 277 D HN 0.669 nan 8.370 nan 0.000 0.460 278 E N -0.692 119.486 120.200 -0.036 0.000 2.072 278 E HA -0.103 4.262 4.350 0.025 0.000 0.190 278 E C 2.172 178.831 176.600 0.098 0.000 0.982 278 E CA 1.079 57.501 56.400 0.037 0.000 0.803 278 E CB -0.283 29.450 29.700 0.056 0.000 0.755 278 E HN 0.319 nan 8.360 nan 0.000 0.453 279 G N 1.623 110.479 108.800 0.094 0.000 2.446 279 G HA2 -0.288 3.687 3.960 0.025 0.000 0.217 279 G HA3 -0.288 3.687 3.960 0.025 0.000 0.217 279 G C 1.502 176.521 174.900 0.199 0.000 1.168 279 G CA 1.023 46.250 45.100 0.212 0.000 0.771 279 G HN 0.318 nan 8.290 nan 0.000 0.551 280 L N 0.811 122.039 121.223 0.008 0.000 2.027 280 L HA 0.019 4.374 4.340 0.025 0.000 0.206 280 L C 2.178 179.140 176.870 0.154 0.000 1.074 280 L CA 2.366 57.234 54.840 0.047 0.000 0.745 280 L CB -0.740 41.211 42.059 -0.180 0.000 0.898 280 L HN 0.144 nan 8.230 nan 0.000 0.433 281 D N -0.625 119.842 120.400 0.111 0.000 2.104 281 D HA -0.157 4.498 4.640 0.025 0.000 0.194 281 D C 2.111 178.491 176.300 0.133 0.000 0.994 281 D CA 1.488 55.607 54.000 0.199 0.000 0.830 281 D CB -0.420 40.469 40.800 0.150 0.000 0.959 281 D HN 0.470 nan 8.370 nan 0.000 0.452 282 G N -0.702 108.183 108.800 0.142 0.000 2.408 282 G HA2 -0.240 3.735 3.960 0.025 0.000 0.217 282 G HA3 -0.240 3.735 3.960 0.025 0.000 0.217 282 G C 1.636 176.369 174.900 -0.278 0.000 1.150 282 G CA 0.445 45.621 45.100 0.126 0.000 0.776 282 G HN 0.378 nan 8.290 nan 0.000 0.542 283 F N 1.880 121.458 119.950 -0.620 0.000 2.075 283 F HA -0.140 4.401 4.527 0.023 0.000 0.297 283 F C 2.894 178.410 175.800 -0.473 0.000 1.113 283 F CA 2.052 59.487 58.000 -0.942 0.000 1.218 283 F CB -0.269 38.469 39.000 -0.437 0.000 0.984 283 F HN 0.117 nan 8.300 nan 0.000 0.472 284 T N 0.747 115.075 114.554 -0.376 0.000 2.720 284 T HA -0.235 4.130 4.350 0.025 0.000 0.268 284 T C 2.093 176.547 174.700 -0.410 0.000 1.037 284 T CA 1.396 63.261 62.100 -0.392 0.000 1.144 284 T CB -0.791 68.081 68.868 0.007 0.000 0.864 284 T HN 0.435 nan 8.240 nan 0.000 0.444 285 A N 1.788 124.453 122.820 -0.258 0.000 1.933 285 A HA -0.111 4.224 4.320 0.025 0.000 0.218 285 A C 2.595 180.009 177.584 -0.284 0.000 1.175 285 A CA 2.170 54.080 52.037 -0.212 0.000 0.628 285 A CB -0.924 18.025 19.000 -0.085 0.000 0.814 285 A HN 0.618 nan 8.150 nan 0.000 0.444 286 S N 0.050 115.539 115.700 -0.352 0.000 2.399 286 S HA -0.111 4.374 4.470 0.025 0.000 0.231 286 S C 1.887 176.224 174.600 -0.437 0.000 1.022 286 S CA 1.429 59.450 58.200 -0.298 0.000 0.983 286 S CB -0.736 62.314 63.200 -0.250 0.000 0.803 286 S HN 0.460 nan 8.310 nan 0.000 0.480 287 L N 0.895 121.673 121.223 -0.742 0.000 2.017 287 L HA -0.065 4.291 4.340 0.025 0.000 0.208 287 L C 2.839 179.023 176.870 -1.144 0.000 1.073 287 L CA 1.644 55.828 54.840 -1.094 0.000 0.745 287 L CB -0.484 40.602 42.059 -1.622 0.000 0.894 287 L HN 0.296 nan 8.230 nan 0.000 0.432 288 K N 0.192 120.067 120.400 -0.874 0.000 2.097 288 K HA -0.083 4.252 4.320 0.025 0.000 0.206 288 K C 1.968 178.421 176.600 -0.246 0.000 1.049 288 K CA 1.277 57.290 56.287 -0.455 0.000 0.933 288 K CB -0.239 32.134 32.500 -0.212 0.000 0.717 288 K HN 0.266 nan 8.250 nan 0.000 0.442 289 A N 1.339 124.021 122.820 -0.230 0.000 2.235 289 A HA -0.034 4.301 4.320 0.025 0.000 0.208 289 A C 0.489 178.015 177.584 -0.096 0.000 1.172 289 A CA 0.206 52.170 52.037 -0.121 0.000 0.786 289 A CB -0.263 18.685 19.000 -0.087 0.000 0.804 289 A HN 0.140 nan 8.150 nan 0.000 0.479 290 N N 0.045 118.662 118.700 -0.139 0.000 2.469 290 N HA 0.344 5.099 4.740 0.025 0.000 0.253 290 N C -2.231 173.265 175.510 -0.024 0.000 0.970 290 N CA -2.289 50.717 53.050 -0.075 0.000 0.940 290 N CB 1.554 39.987 38.487 -0.090 0.000 1.128 290 N HN -0.149 nan 8.380 nan 0.000 0.503 291 P HA -0.182 nan 4.420 nan 0.000 0.218 291 P C 1.245 178.590 177.300 0.074 0.000 1.148 291 P CA 0.972 64.096 63.100 0.039 0.000 0.822 291 P CB 0.381 32.098 31.700 0.029 0.000 0.784 292 K N 0.479 120.921 120.400 0.068 0.000 2.063 292 K HA -0.144 4.191 4.320 0.025 0.000 0.208 292 K C 1.723 178.431 176.600 0.179 0.000 1.048 292 K CA 1.875 58.219 56.287 0.096 0.000 0.928 292 K CB -0.698 31.839 32.500 0.063 0.000 0.713 292 K HN 0.058 nan 8.250 nan 0.000 0.442 293 A N 1.176 124.106 122.820 0.184 0.000 2.206 293 A HA -0.037 4.298 4.320 0.025 0.000 0.211 293 A C 0.692 178.579 177.584 0.504 0.000 1.158 293 A CA 0.015 52.260 52.037 0.347 0.000 0.761 293 A CB -0.295 18.804 19.000 0.165 0.000 0.801 293 A HN 0.524 nan 8.150 nan 0.000 0.473 294 E N -0.468 119.917 120.200 0.307 0.000 2.529 294 E HA 0.262 4.627 4.350 0.025 0.000 0.259 294 E C 1.233 177.893 176.600 0.100 0.000 0.966 294 E CA 0.814 57.335 56.400 0.202 0.000 0.937 294 E CB -0.060 29.705 29.700 0.108 0.000 0.923 294 E HN 0.653 nan 8.360 nan 0.000 0.468 295 G N 3.872 112.641 108.800 -0.052 0.000 2.195 295 G HA2 -0.302 3.673 3.960 0.025 0.000 0.246 295 G HA3 -0.302 3.673 3.960 0.025 0.000 0.246 295 G C 0.168 174.737 174.900 -0.550 0.000 0.984 295 G CA 0.364 45.265 45.100 -0.332 0.000 0.633 295 G HN 0.627 nan 8.290 nan 0.000 0.525 296 Y N 1.345 121.659 120.300 0.024 0.000 2.706 296 Y HA 0.249 4.814 4.550 0.024 0.000 0.255 296 Y C 1.693 177.532 175.900 -0.101 0.000 1.163 296 Y CA -0.057 58.074 58.100 0.052 0.000 1.174 296 Y CB 0.453 39.036 38.460 0.205 0.000 1.200 296 Y HN 0.337 nan 8.280 nan 0.000 0.544 297 D N -0.354 119.764 120.400 -0.471 0.000 2.371 297 D HA -0.145 4.510 4.640 0.025 0.000 0.221 297 D C 0.552 176.545 176.300 -0.512 0.000 0.986 297 D CA 0.906 54.139 54.000 -1.278 0.000 0.899 297 D CB -0.050 40.024 40.800 -1.211 0.000 0.902 297 D HN 0.477 nan 8.370 nan 0.000 0.530 298 D N -0.393 119.901 120.400 -0.178 0.000 2.342 298 D HA -0.012 4.643 4.640 0.025 0.000 0.221 298 D C 0.512 176.915 176.300 0.172 0.000 1.101 298 D CA -0.113 53.878 54.000 -0.014 0.000 0.837 298 D CB 0.104 40.886 40.800 -0.030 0.000 0.938 298 D HN 0.002 nan 8.370 nan 0.000 0.508 299 Q N 0.078 119.990 119.800 0.187 0.000 2.199 299 Q HA 0.515 4.870 4.340 0.025 0.000 0.205 299 Q C 0.154 176.195 176.000 0.068 0.000 1.001 299 Q CA -0.757 55.111 55.803 0.108 0.000 1.019 299 Q CB 1.481 30.206 28.738 -0.022 0.000 1.132 299 Q HN 0.166 nan 8.270 nan 0.000 0.530 300 I N 0.629 121.088 120.570 -0.185 0.000 2.412 300 I HA 0.300 4.485 4.170 0.025 0.000 0.296 300 I C -1.052 174.887 176.117 -0.296 0.000 0.987 300 I CA -0.634 60.573 61.300 -0.156 0.000 1.180 300 I CB 0.924 38.777 38.000 -0.245 0.000 1.340 300 I HN 0.341 nan 8.210 nan 0.000 0.455 301 Y N 5.163 125.440 120.300 -0.039 0.000 2.425 301 Y HA 0.561 5.125 4.550 0.024 0.000 0.344 301 Y C -0.778 175.129 175.900 0.012 0.000 0.969 301 Y CA -0.648 57.512 58.100 0.101 0.000 1.052 301 Y CB 1.785 40.343 38.460 0.163 0.000 1.215 301 Y HN 0.292 nan 8.280 nan 0.000 0.451 302 F N 3.177 123.384 119.950 0.428 0.000 2.529 302 F HA 0.464 5.004 4.527 0.021 0.000 0.320 302 F C -0.767 175.069 175.800 0.060 0.000 1.118 302 F CA -1.018 57.144 58.000 0.269 0.000 0.915 302 F CB 1.598 40.708 39.000 0.183 0.000 1.161 302 F HN 0.255 nan 8.300 nan 0.000 0.445 303 L N 6.009 127.085 121.223 -0.245 0.000 2.281 303 L HA 0.552 4.907 4.340 0.025 0.000 0.285 303 L C -0.347 176.539 176.870 0.027 0.000 1.074 303 L CA -0.287 54.294 54.840 -0.431 0.000 0.817 303 L CB 0.243 41.696 42.059 -1.010 0.000 1.168 303 L HN 0.496 nan 8.230 nan 0.000 0.434 304 I N 2.942 123.559 120.570 0.078 0.000 2.693 304 I HA 0.846 5.031 4.170 0.025 0.000 0.303 304 I C -0.692 175.473 176.117 0.081 0.000 1.025 304 I CA -0.844 60.525 61.300 0.116 0.000 1.086 304 I CB 1.949 40.001 38.000 0.087 0.000 1.268 304 I HN 0.787 nan 8.210 nan 0.000 0.440 305 R N 2.393 122.923 120.500 0.051 0.000 2.781 305 R HA 0.345 4.700 4.340 0.025 0.000 0.269 305 R C -0.681 175.619 176.300 0.001 0.000 1.025 305 R CA -0.945 55.150 56.100 -0.010 0.000 0.914 305 R CB 0.668 30.887 30.300 -0.134 0.000 1.236 305 R HN 0.851 nan 8.270 nan 0.000 0.465 306 W N 1.345 122.568 121.300 -0.128 0.000 2.409 306 W HA 0.268 4.945 4.660 0.028 0.000 0.299 306 W C 0.790 177.234 176.519 -0.125 0.000 1.203 306 W CA 1.859 59.154 57.345 -0.082 0.000 1.298 306 W CB -0.235 29.191 29.460 -0.057 0.000 1.127 306 W HN 0.784 nan 8.180 nan 0.000 0.528 307 G N -0.129 108.605 108.800 -0.109 0.000 2.516 307 G HA2 0.418 4.393 3.960 0.025 0.000 0.276 307 G HA3 0.418 4.393 3.960 0.025 0.000 0.276 307 G C -0.376 174.158 174.900 -0.610 0.000 1.390 307 G CA 0.324 45.213 45.100 -0.351 0.000 1.050 307 G HN 0.172 nan 8.290 nan 0.000 0.519 308 T N -4.139 110.063 114.554 -0.586 0.000 2.858 308 T HA 0.627 4.992 4.350 0.025 0.000 0.285 308 T C -0.705 173.670 174.700 -0.542 0.000 1.052 308 T CA -0.994 60.783 62.100 -0.540 0.000 1.009 308 T CB 1.837 70.492 68.868 -0.355 0.000 1.241 308 T HN 0.540 nan 8.240 nan 0.000 0.542 309 W N 0.055 121.281 121.300 -0.124 0.000 2.703 309 W HA 0.399 5.075 4.660 0.028 0.000 0.359 309 W C -0.302 176.168 176.519 -0.083 0.000 1.168 309 W CA -0.436 56.861 57.345 -0.080 0.000 1.177 309 W CB 0.901 30.325 29.460 -0.060 0.000 1.434 309 W HN 0.653 nan 8.180 nan 0.000 0.618 310 D N 0.872 121.380 120.400 0.181 0.000 2.443 310 D HA -0.107 4.548 4.640 0.025 0.000 0.234 310 D C 0.954 177.283 176.300 0.048 0.000 1.172 310 D CA 1.166 55.210 54.000 0.074 0.000 0.878 310 D CB 0.238 41.076 40.800 0.063 0.000 1.204 310 D HN 0.397 nan 8.370 nan 0.000 0.453 311 N N 1.604 120.308 118.700 0.008 0.000 2.741 311 N HA -0.276 4.479 4.740 0.025 0.000 0.250 311 N C -0.839 174.654 175.510 -0.028 0.000 1.115 311 N CA 0.421 53.464 53.050 -0.011 0.000 0.724 311 N CB -0.792 37.688 38.487 -0.011 0.000 1.090 311 N HN 0.475 nan 8.380 nan 0.000 0.558 312 N N -0.466 118.210 118.700 -0.040 0.000 2.716 312 N HA -0.211 4.544 4.740 0.025 0.000 0.250 312 N C -0.254 175.191 175.510 -0.108 0.000 1.033 312 N CA 1.396 54.390 53.050 -0.092 0.000 0.727 312 N CB -1.250 37.172 38.487 -0.109 0.000 0.950 312 N HN 0.536 nan 8.380 nan 0.000 0.541 313 I N 1.099 121.661 120.570 -0.013 0.000 2.452 313 I HA -0.022 4.163 4.170 0.025 0.000 0.287 313 I C 1.911 178.078 176.117 0.083 0.000 1.079 313 I CA -0.195 61.125 61.300 0.033 0.000 1.387 313 I CB 0.649 38.697 38.000 0.079 0.000 1.404 313 I HN 0.082 nan 8.210 nan 0.000 0.522 314 L N 6.138 127.344 121.223 -0.028 0.000 2.375 314 L HA 0.326 4.681 4.340 0.025 0.000 0.215 314 L C 1.014 178.016 176.870 0.220 0.000 1.108 314 L CA 0.047 54.845 54.840 -0.069 0.000 0.830 314 L CB -0.401 41.446 42.059 -0.354 0.000 0.959 314 L HN 0.781 nan 8.230 nan 0.000 0.457 315 G N -0.319 108.601 108.800 0.200 0.000 2.506 315 G HA2 0.555 4.530 3.960 0.025 0.000 0.292 315 G HA3 0.555 4.530 3.960 0.025 0.000 0.292 315 G C -2.051 172.852 174.900 0.005 0.000 1.425 315 G CA -0.339 44.821 45.100 0.100 0.000 0.788 315 G HN -0.120 nan 8.290 nan 0.000 0.490 316 I N -0.124 120.406 120.570 -0.067 0.000 2.908 316 I HA 0.694 4.879 4.170 0.025 0.000 0.300 316 I C -0.740 175.371 176.117 -0.011 0.000 1.385 316 I CA -0.483 60.769 61.300 -0.081 0.000 1.004 316 I CB 2.267 40.086 38.000 -0.301 0.000 1.309 316 I HN 1.162 nan 8.210 nan 0.000 0.449 317 S N 2.973 118.667 115.700 -0.010 0.000 2.588 317 S HA 0.532 5.017 4.470 0.025 0.000 0.269 317 S C -1.907 172.640 174.600 -0.088 0.000 1.157 317 S CA -0.843 57.363 58.200 0.010 0.000 0.824 317 S CB 0.852 64.166 63.200 0.190 0.000 1.126 317 S HN 0.590 nan 8.310 nan 0.000 0.464 318 W N 1.387 122.718 121.300 0.051 0.000 2.356 318 W HA 0.502 5.174 4.660 0.020 0.000 0.311 318 W C 0.142 176.677 176.519 0.026 0.000 1.328 318 W CA -0.365 57.002 57.345 0.036 0.000 1.251 318 W CB 0.689 30.163 29.460 0.023 0.000 1.280 318 W HN 0.603 nan 8.180 nan 0.000 0.524 319 L N 5.494 126.836 121.223 0.199 0.000 2.410 319 L HA 0.131 4.486 4.340 0.025 0.000 0.273 319 L C 0.763 177.676 176.870 0.071 0.000 1.152 319 L CA -0.036 54.819 54.840 0.026 0.000 0.855 319 L CB 0.039 41.996 42.059 -0.170 0.000 1.129 319 L HN 0.623 nan 8.230 nan 0.000 0.463 320 N N 1.901 120.631 118.700 0.049 0.000 2.727 320 N HA -0.228 4.527 4.740 0.025 0.000 0.251 320 N C 0.287 175.834 175.510 0.062 0.000 1.040 320 N CA 1.066 54.142 53.050 0.042 0.000 0.712 320 N CB -0.923 37.566 38.487 0.003 0.000 0.912 320 N HN 0.822 nan 8.380 nan 0.000 0.545 321 S N -2.083 113.682 115.700 0.108 0.000 2.523 321 S HA 0.143 4.628 4.470 0.025 0.000 0.217 321 S C 0.188 174.849 174.600 0.102 0.000 0.996 321 S CA -0.325 57.931 58.200 0.093 0.000 0.921 321 S CB 0.260 63.551 63.200 0.153 0.000 0.829 321 S HN 0.431 nan 8.310 nan 0.000 0.495 322 Y N 2.722 123.030 120.300 0.013 0.000 2.364 322 Y HA 0.655 5.217 4.550 0.021 0.000 0.340 322 Y C -0.744 175.156 175.900 -0.001 0.000 0.975 322 Y CA -1.040 57.062 58.100 0.004 0.000 1.089 322 Y CB 1.165 39.633 38.460 0.014 0.000 1.192 322 Y HN 0.203 nan 8.280 nan 0.000 0.454 323 N N 4.440 122.659 118.700 -0.801 0.000 2.324 323 N HA 0.144 4.899 4.740 0.025 0.000 0.285 323 N C 0.316 175.380 175.510 -0.745 0.000 1.076 323 N CA -0.230 52.500 53.050 -0.533 0.000 0.864 323 N CB 2.178 40.518 38.487 -0.245 0.000 1.632 323 N HN 0.632 nan 8.380 nan 0.000 0.478 324 V N 1.458 121.136 119.914 -0.392 0.000 2.720 324 V HA -0.091 4.044 4.120 0.025 0.000 0.256 324 V C 1.244 177.256 176.094 -0.137 0.000 1.082 324 V CA 1.707 63.896 62.300 -0.185 0.000 1.101 324 V CB -0.718 31.142 31.823 0.062 0.000 0.693 324 V HN 0.607 nan 8.190 nan 0.000 0.479 325 N N 1.282 119.900 118.700 -0.137 0.000 2.290 325 N HA -0.034 4.721 4.740 0.025 0.000 0.179 325 N C 1.593 177.029 175.510 -0.124 0.000 1.016 325 N CA 1.392 54.384 53.050 -0.097 0.000 0.871 325 N CB -0.067 38.379 38.487 -0.069 0.000 0.987 325 N HN 0.730 nan 8.380 nan 0.000 0.431 326 T N -2.613 111.836 114.554 -0.175 0.000 3.040 326 T HA 0.462 4.827 4.350 0.025 0.000 0.266 326 T C 0.472 175.060 174.700 -0.188 0.000 1.005 326 T CA -0.609 61.397 62.100 -0.156 0.000 0.906 326 T CB 0.110 68.899 68.868 -0.131 0.000 1.082 326 T HN 0.122 nan 8.240 nan 0.000 0.531 327 A N 2.047 124.707 122.820 -0.266 0.000 2.546 327 A HA 0.570 4.905 4.320 0.025 0.000 0.243 327 A C 0.675 178.168 177.584 -0.151 0.000 1.063 327 A CA 0.179 52.070 52.037 -0.244 0.000 0.757 327 A CB -0.333 18.485 19.000 -0.303 0.000 0.991 327 A HN 1.289 nan 8.150 nan 0.000 0.503 328 S N 0.819 116.431 115.700 -0.147 0.000 2.611 328 S HA 0.521 5.006 4.470 0.025 0.000 0.270 328 S C -0.651 173.818 174.600 -0.220 0.000 1.131 328 S CA -0.148 57.941 58.200 -0.185 0.000 0.826 328 S CB 0.950 64.058 63.200 -0.153 0.000 1.095 328 S HN 0.887 nan 8.310 nan 0.000 0.461 329 D N -0.043 120.182 120.400 -0.292 0.000 2.911 329 D HA -0.193 4.463 4.640 0.025 0.000 0.227 329 D C 0.192 176.435 176.300 -0.096 0.000 1.164 329 D CA 1.587 55.469 54.000 -0.197 0.000 0.782 329 D CB -2.006 38.718 40.800 -0.127 0.000 1.094 329 D HN 0.983 nan 8.370 nan 0.000 0.425 330 F N -2.313 117.559 119.950 -0.129 0.000 3.069 330 F HA -0.338 4.203 4.527 0.024 0.000 0.285 330 F C 1.720 177.408 175.800 -0.187 0.000 0.827 330 F CA 1.394 59.285 58.000 -0.182 0.000 1.108 330 F CB -1.925 36.846 39.000 -0.381 0.000 1.252 330 F HN 0.114 nan 8.300 nan 0.000 0.483 331 K N 0.678 121.025 120.400 -0.088 0.000 2.097 331 K HA 0.068 4.403 4.320 0.025 0.000 0.206 331 K C 1.587 178.161 176.600 -0.044 0.000 1.049 331 K CA 1.195 57.357 56.287 -0.208 0.000 0.933 331 K CB -0.158 32.224 32.500 -0.197 0.000 0.717 331 K HN 0.382 nan 8.250 nan 0.000 0.442 332 A N 1.940 124.820 122.820 0.099 0.000 3.063 332 A HA 0.145 4.480 4.320 0.025 0.000 0.263 332 A C -0.421 177.259 177.584 0.160 0.000 1.736 332 A CA -0.271 51.871 52.037 0.174 0.000 1.408 332 A CB -0.545 18.618 19.000 0.272 0.000 1.108 332 A HN 0.206 nan 8.150 nan 0.000 0.621 333 S N -0.402 115.425 115.700 0.211 0.000 2.568 333 S HA 0.947 5.432 4.470 0.025 0.000 0.293 333 S C 0.017 174.725 174.600 0.180 0.000 1.089 333 S CA -0.196 58.130 58.200 0.209 0.000 0.945 333 S CB 2.059 65.411 63.200 0.254 0.000 1.077 333 S HN 1.272 nan 8.310 nan 0.000 0.485 334 G N 0.394 109.209 108.800 0.025 0.000 2.682 334 G HA2 0.669 4.644 3.960 0.025 0.000 0.303 334 G HA3 0.669 4.644 3.960 0.025 0.000 0.303 334 G C -1.818 173.202 174.900 0.200 0.000 1.341 334 G CA -1.012 44.133 45.100 0.075 0.000 0.784 334 G HN 0.711 nan 8.290 nan 0.000 0.497 335 M N 0.401 120.120 119.600 0.199 0.000 2.446 335 M HA 0.644 5.139 4.480 0.025 0.000 0.294 335 M C -0.970 175.453 176.300 0.205 0.000 1.158 335 M CA -0.814 54.544 55.300 0.097 0.000 0.899 335 M CB 2.438 34.822 32.600 -0.361 0.000 1.687 335 M HN 0.554 nan 8.290 nan 0.000 0.455 336 S N 0.557 116.446 115.700 0.314 0.000 2.546 336 S HA 0.445 4.930 4.470 0.025 0.000 0.272 336 S C -0.732 174.036 174.600 0.280 0.000 1.140 336 S CA -0.415 57.934 58.200 0.248 0.000 0.920 336 S CB 2.102 65.295 63.200 -0.012 0.000 1.083 336 S HN 0.778 nan 8.310 nan 0.000 0.476 337 T N 1.719 116.401 114.554 0.215 0.000 2.855 337 T HA 0.311 4.676 4.350 0.025 0.000 0.314 337 T C 1.302 175.974 174.700 -0.047 0.000 1.077 337 T CA 0.785 62.861 62.100 -0.041 0.000 1.095 337 T CB 0.322 69.060 68.868 -0.218 0.000 0.987 337 T HN 0.891 nan 8.240 nan 0.000 0.546 338 T N 0.954 115.456 114.554 -0.087 0.000 3.091 338 T HA 0.294 4.659 4.350 0.025 0.000 0.277 338 T C 0.507 175.203 174.700 -0.008 0.000 0.996 338 T CA -0.420 61.670 62.100 -0.017 0.000 0.897 338 T CB -0.006 68.888 68.868 0.042 0.000 1.109 338 T HN 0.683 nan 8.240 nan 0.000 0.534 339 Q N 0.984 120.671 119.800 -0.187 0.000 2.304 339 Q HA 0.105 4.460 4.340 0.025 0.000 0.315 339 Q C 1.083 177.118 176.000 0.058 0.000 1.075 339 Q CA -0.332 55.370 55.803 -0.167 0.000 0.988 339 Q CB 0.842 29.358 28.738 -0.370 0.000 1.146 339 Q HN 0.235 nan 8.270 nan 0.000 0.383 340 L N 3.710 125.054 121.223 0.202 0.000 2.127 340 L HA -0.215 4.140 4.340 0.025 0.000 0.211 340 L C 1.673 178.551 176.870 0.013 0.000 1.089 340 L CA 1.838 56.769 54.840 0.150 0.000 0.757 340 L CB -0.044 42.157 42.059 0.236 0.000 0.899 340 L HN 0.764 nan 8.230 nan 0.000 0.434 341 M N -1.751 117.807 119.600 -0.069 0.000 2.619 341 M HA -0.051 4.444 4.480 0.025 0.000 0.251 341 M C -0.083 175.909 176.300 -0.512 0.000 1.106 341 M CA 0.780 55.907 55.300 -0.287 0.000 1.086 341 M CB -0.554 31.809 32.600 -0.396 0.000 1.465 341 M HN 0.205 nan 8.290 nan 0.000 0.506 342 Y N 1.136 121.348 120.300 -0.147 0.000 2.638 342 Y HA 0.311 4.876 4.550 0.024 0.000 0.367 342 Y C -2.049 173.863 175.900 0.021 0.000 1.001 342 Y CA -2.491 55.475 58.100 -0.222 0.000 1.133 342 Y CB 0.132 38.294 38.460 -0.497 0.000 1.199 342 Y HN 0.047 nan 8.280 nan 0.000 0.642 343 P HA 0.122 nan 4.420 nan 0.000 0.268 343 P C 0.955 178.406 177.300 0.251 0.000 1.205 343 P CA 0.966 64.168 63.100 0.171 0.000 0.771 343 P CB 1.394 33.146 31.700 0.087 0.000 0.858 344 G N 1.271 110.160 108.800 0.150 0.000 2.157 344 G HA2 -0.264 3.711 3.960 0.025 0.000 0.248 344 G HA3 -0.264 3.711 3.960 0.025 0.000 0.248 344 G C 0.760 175.788 174.900 0.213 0.000 0.979 344 G CA 0.094 45.268 45.100 0.122 0.000 0.650 344 G HN 0.369 nan 8.290 nan 0.000 0.529 345 V N 0.899 120.961 119.914 0.246 0.000 2.307 345 V HA -0.159 3.976 4.120 0.025 0.000 0.245 345 V C 2.752 178.933 176.094 0.143 0.000 1.045 345 V CA 2.806 65.264 62.300 0.263 0.000 1.024 345 V CB -0.481 31.445 31.823 0.171 0.000 0.651 345 V HN 0.599 nan 8.190 nan 0.000 0.449 346 M N -0.003 119.596 119.600 -0.002 0.000 2.159 346 M HA -0.161 4.334 4.480 0.025 0.000 0.263 346 M C 2.155 178.417 176.300 -0.064 0.000 1.063 346 M CA 2.093 57.277 55.300 -0.194 0.000 1.110 346 M CB -0.289 32.108 32.600 -0.339 0.000 1.374 346 M HN 0.354 nan 8.290 nan 0.000 0.411 347 A N -0.563 122.257 122.820 -0.000 0.000 1.883 347 A HA -0.292 4.043 4.320 0.025 0.000 0.217 347 A C 1.832 179.430 177.584 0.023 0.000 1.186 347 A CA 2.325 54.368 52.037 0.011 0.000 0.624 347 A CB -1.334 17.638 19.000 -0.046 0.000 0.822 347 A HN 0.785 nan 8.150 nan 0.000 0.444 348 H N -0.527 118.504 119.070 -0.065 0.000 2.321 348 H HA -0.095 4.480 4.556 0.032 0.000 0.300 348 H C 1.971 177.205 175.328 -0.157 0.000 1.087 348 H CA 1.863 57.803 56.048 -0.181 0.000 1.319 348 H CB 0.111 29.719 29.762 -0.255 0.000 1.379 348 H HN 0.398 nan 8.280 nan 0.000 0.501 349 E N 0.257 120.571 120.200 0.190 0.000 2.107 349 E HA -0.118 4.247 4.350 0.025 0.000 0.191 349 E C 2.320 179.131 176.600 0.352 0.000 0.982 349 E CA 0.552 57.149 56.400 0.327 0.000 0.809 349 E CB -0.437 29.555 29.700 0.486 0.000 0.756 349 E HN 0.412 nan 8.360 nan 0.000 0.459 350 L N 0.988 122.429 121.223 0.364 0.000 2.131 350 L HA -0.032 4.323 4.340 0.025 0.000 0.210 350 L C 2.072 179.037 176.870 0.157 0.000 1.092 350 L CA 2.050 57.096 54.840 0.345 0.000 0.759 350 L CB -0.896 41.342 42.059 0.298 0.000 0.903 350 L HN 0.123 nan 8.230 nan 0.000 0.435 351 G N -1.714 107.125 108.800 0.065 0.000 2.421 351 G HA2 -0.289 3.686 3.960 0.025 0.000 0.216 351 G HA3 -0.289 3.686 3.960 0.025 0.000 0.216 351 G C 1.478 176.349 174.900 -0.049 0.000 1.171 351 G CA 0.875 45.987 45.100 0.019 0.000 0.775 351 G HN 0.508 nan 8.290 nan 0.000 0.543 352 H N 0.532 119.560 119.070 -0.070 0.000 2.319 352 H HA 0.018 4.582 4.556 0.014 0.000 0.299 352 H C 2.748 178.059 175.328 -0.028 0.000 1.092 352 H CA 1.074 57.051 56.048 -0.118 0.000 1.302 352 H CB -0.367 29.331 29.762 -0.108 0.000 1.373 352 H HN 0.316 nan 8.280 nan 0.000 0.497 353 I N 0.592 121.274 120.570 0.187 0.000 2.208 353 I HA -0.261 3.924 4.170 0.025 0.000 0.245 353 I C 1.943 178.145 176.117 0.141 0.000 1.097 353 I CA 1.055 62.452 61.300 0.161 0.000 1.363 353 I CB -0.185 37.900 38.000 0.141 0.000 1.051 353 I HN 0.118 nan 8.210 nan 0.000 0.413 354 L N 0.083 121.369 121.223 0.106 0.000 2.599 354 L HA 0.105 4.460 4.340 0.025 0.000 0.230 354 L C 1.488 178.376 176.870 0.030 0.000 1.141 354 L CA 0.696 55.587 54.840 0.085 0.000 0.877 354 L CB -0.221 41.861 42.059 0.038 0.000 1.009 354 L HN 0.526 nan 8.230 nan 0.000 0.447 355 G N -0.665 108.145 108.800 0.017 0.000 2.192 355 G HA2 -0.191 3.784 3.960 0.025 0.000 0.193 355 G HA3 -0.191 3.784 3.960 0.025 0.000 0.193 355 G C 0.357 175.228 174.900 -0.048 0.000 0.999 355 G CA -0.207 44.884 45.100 -0.016 0.000 0.659 355 G HN 0.414 nan 8.290 nan 0.000 0.503 356 A N 0.383 123.169 122.820 -0.057 0.000 2.440 356 A HA 0.612 4.948 4.320 0.025 0.000 0.251 356 A C 0.524 178.073 177.584 -0.058 0.000 1.089 356 A CA 0.186 52.180 52.037 -0.072 0.000 0.779 356 A CB 0.253 19.206 19.000 -0.078 0.000 1.022 356 A HN 0.376 nan 8.150 nan 0.000 0.492 357 N N 0.242 118.905 118.700 -0.062 0.000 2.502 357 N HA 0.259 5.014 4.740 0.025 0.000 0.280 357 N C -0.500 175.028 175.510 0.030 0.000 1.223 357 N CA -0.386 52.608 53.050 -0.094 0.000 0.966 357 N CB 0.290 38.736 38.487 -0.070 0.000 1.203 357 N HN 0.761 nan 8.380 nan 0.000 0.565 358 H N -0.421 118.728 119.070 0.131 0.000 2.897 358 H HA 0.308 4.877 4.556 0.021 0.000 0.347 358 H C 0.030 175.427 175.328 0.116 0.000 1.068 358 H CA -0.377 55.761 56.048 0.151 0.000 1.426 358 H CB 0.652 30.538 29.762 0.207 0.000 1.410 358 H HN 0.515 nan 8.280 nan 0.000 0.597 359 A N 2.341 125.328 122.820 0.277 0.000 2.311 359 A HA 0.190 4.525 4.320 0.025 0.000 0.334 359 A C 0.248 177.994 177.584 0.270 0.000 1.139 359 A CA -0.762 51.402 52.037 0.211 0.000 0.830 359 A CB 0.927 20.026 19.000 0.165 0.000 1.234 359 A HN 0.795 nan 8.150 nan 0.000 0.483 360 D N -0.158 120.363 120.400 0.201 0.000 2.249 360 D HA 0.011 4.666 4.640 0.025 0.000 0.205 360 D C -0.093 176.314 176.300 0.178 0.000 0.962 360 D CA 0.827 54.956 54.000 0.214 0.000 0.860 360 D CB 0.192 41.066 40.800 0.124 0.000 0.955 360 D HN 0.548 nan 8.370 nan 0.000 0.505 361 D N 0.160 120.597 120.400 0.062 0.000 2.371 361 D HA 0.025 4.680 4.640 0.025 0.000 0.256 361 D C -1.776 174.291 176.300 -0.387 0.000 1.193 361 D CA -1.800 52.129 54.000 -0.118 0.000 0.881 361 D CB 1.695 42.431 40.800 -0.107 0.000 1.143 361 D HN -0.057 nan 8.370 nan 0.000 0.473 362 P HA -0.046 nan 4.420 nan 0.000 0.228 362 P C 0.382 177.222 177.300 -0.766 0.000 1.151 362 P CA 0.970 63.249 63.100 -1.368 0.000 0.770 362 P CB 0.261 31.465 31.700 -0.826 0.000 0.786 363 K N -1.264 118.754 120.400 -0.637 0.000 2.358 363 K HA 0.069 4.404 4.320 0.025 0.000 0.197 363 K C 0.468 176.726 176.600 -0.570 0.000 1.025 363 K CA -0.155 55.544 56.287 -0.981 0.000 1.104 363 K CB 0.164 32.052 32.500 -1.020 0.000 0.855 363 K HN 0.110 nan 8.250 nan 0.000 0.531 364 D N 1.291 121.539 120.400 -0.253 0.000 2.304 364 D HA -0.029 4.626 4.640 0.025 0.000 0.250 364 D C 1.071 177.392 176.300 0.036 0.000 1.107 364 D CA -0.194 53.769 54.000 -0.062 0.000 0.885 364 D CB 1.398 42.208 40.800 0.018 0.000 1.192 364 D HN -0.122 nan 8.370 nan 0.000 0.436 365 L N 4.630 125.846 121.223 -0.011 0.000 2.051 365 L HA -0.197 4.158 4.340 0.025 0.000 0.214 365 L C 1.670 178.598 176.870 0.096 0.000 1.076 365 L CA 1.804 56.624 54.840 -0.032 0.000 0.758 365 L CB -0.314 41.558 42.059 -0.313 0.000 0.890 365 L HN 0.504 nan 8.230 nan 0.000 0.433 366 M N -1.375 118.239 119.600 0.025 0.000 2.530 366 M HA 0.077 4.572 4.480 0.025 0.000 0.231 366 M C 0.110 176.584 176.300 0.290 0.000 1.180 366 M CA -0.464 54.870 55.300 0.056 0.000 0.985 366 M CB -1.595 30.980 32.600 -0.041 0.000 1.623 366 M HN 0.221 nan 8.290 nan 0.000 0.475 367 Y N 1.473 121.850 120.300 0.128 0.000 2.578 367 Y HA -0.082 4.477 4.550 0.015 0.000 0.339 367 Y C 1.560 177.494 175.900 0.056 0.000 1.231 367 Y CA 0.449 58.603 58.100 0.090 0.000 1.461 367 Y CB 0.914 39.408 38.460 0.057 0.000 1.323 367 Y HN 0.384 nan 8.280 nan 0.000 0.590 368 S N 2.705 118.049 115.700 -0.593 0.000 2.607 368 S HA 0.147 4.632 4.470 0.025 0.000 0.224 368 S C -0.182 174.208 174.600 -0.349 0.000 0.969 368 S CA 0.044 57.830 58.200 -0.690 0.000 0.927 368 S CB -0.237 62.615 63.200 -0.580 0.000 0.772 368 S HN 0.521 nan 8.310 nan 0.000 0.533 369 K N 0.783 120.992 120.400 -0.318 0.000 2.259 369 K HA 0.294 4.629 4.320 0.025 0.000 0.252 369 K C -1.357 175.329 176.600 0.143 0.000 0.936 369 K CA -0.892 55.363 56.287 -0.053 0.000 0.810 369 K CB 1.466 33.965 32.500 -0.003 0.000 1.143 369 K HN 0.237 nan 8.250 nan 0.000 0.427 370 Y N 2.219 122.419 120.300 -0.166 0.000 2.544 370 Y HA -0.107 4.458 4.550 0.026 0.000 0.330 370 Y C 1.037 176.989 175.900 0.087 0.000 1.136 370 Y CA 1.049 59.064 58.100 -0.142 0.000 1.417 370 Y CB 0.597 38.822 38.460 -0.391 0.000 1.229 370 Y HN 0.785 nan 8.280 nan 0.000 0.532 371 T N 0.533 114.712 114.554 -0.625 0.000 2.989 371 T HA 0.316 4.681 4.350 0.025 0.000 0.250 371 T C 1.330 175.722 174.700 -0.513 0.000 0.981 371 T CA 0.352 62.269 62.100 -0.306 0.000 0.980 371 T CB 0.013 68.945 68.868 0.107 0.000 1.133 371 T HN 1.280 nan 8.240 nan 0.000 0.489 372 G N 0.619 108.929 108.800 -0.816 0.000 2.176 372 G HA2 -0.213 3.762 3.960 0.025 0.000 0.232 372 G HA3 -0.213 3.762 3.960 0.025 0.000 0.232 372 G C -0.127 174.597 174.900 -0.293 0.000 0.986 372 G CA -0.130 44.712 45.100 -0.430 0.000 0.643 372 G HN 0.606 nan 8.290 nan 0.000 0.522 373 Y N -0.312 119.888 120.300 -0.166 0.000 2.397 373 Y HA 0.542 5.109 4.550 0.029 0.000 0.335 373 Y C 1.720 177.528 175.900 -0.155 0.000 1.213 373 Y CA 0.322 58.358 58.100 -0.106 0.000 1.391 373 Y CB 0.758 39.173 38.460 -0.075 0.000 1.293 373 Y HN 0.036 nan 8.280 nan 0.000 0.557 374 L N 2.584 123.747 121.223 -0.101 0.000 3.016 374 L HA 0.311 4.666 4.340 0.025 0.000 0.267 374 L C -1.160 175.229 176.870 -0.801 0.000 1.182 374 L CA 0.048 54.614 54.840 -0.455 0.000 0.997 374 L CB 0.192 41.889 42.059 -0.604 0.000 1.354 374 L HN 0.406 nan 8.230 nan 0.000 0.569 375 F N -1.565 118.360 119.950 -0.042 0.000 2.576 375 F HA 0.440 4.979 4.527 0.019 0.000 0.313 375 F C 0.590 176.304 175.800 -0.145 0.000 1.078 375 F CA -1.003 56.948 58.000 -0.082 0.000 0.921 375 F CB 0.971 39.959 39.000 -0.020 0.000 1.232 375 F HN -0.109 nan 8.300 nan 0.000 0.459 376 H N 4.054 123.213 119.070 0.147 0.000 2.886 376 H HA 0.210 4.779 4.556 0.022 0.000 0.329 376 H C 0.539 175.880 175.328 0.022 0.000 1.044 376 H CA 0.536 56.607 56.048 0.039 0.000 1.456 376 H CB 1.339 31.090 29.762 -0.017 0.000 1.464 376 H HN 0.645 nan 8.280 nan 0.000 0.573 377 L N 1.673 122.954 121.223 0.097 0.000 2.609 377 L HA 0.053 4.408 4.340 0.025 0.000 0.230 377 L C 1.196 178.077 176.870 0.017 0.000 1.064 377 L CA 0.146 55.002 54.840 0.027 0.000 0.873 377 L CB 0.321 42.368 42.059 -0.019 0.000 1.139 377 L HN 0.353 nan 8.230 nan 0.000 0.490 378 S N 0.725 116.452 115.700 0.045 0.000 2.481 378 S HA 0.012 4.497 4.470 0.025 0.000 0.282 378 S C 1.083 175.685 174.600 0.005 0.000 1.243 378 S CA -0.258 57.962 58.200 0.033 0.000 1.078 378 S CB 0.607 63.841 63.200 0.057 0.000 0.916 378 S HN 0.248 nan 8.310 nan 0.000 0.495 379 E N 4.028 124.229 120.200 0.000 0.000 2.110 379 E HA -0.168 4.197 4.350 0.025 0.000 0.193 379 E C 1.816 178.428 176.600 0.019 0.000 0.988 379 E CA 1.254 57.654 56.400 -0.001 0.000 0.804 379 E CB 0.022 29.735 29.700 0.022 0.000 0.745 379 E HN 0.707 nan 8.360 nan 0.000 0.458 380 K N 0.659 121.073 120.400 0.024 0.000 2.032 380 K HA -0.134 4.201 4.320 0.025 0.000 0.209 380 K C 1.966 178.568 176.600 0.003 0.000 1.048 380 K CA 1.331 57.633 56.287 0.026 0.000 0.927 380 K CB -0.077 32.440 32.500 0.028 0.000 0.712 380 K HN 0.009 nan 8.250 nan 0.000 0.441 381 N N 0.748 119.440 118.700 -0.014 0.000 2.120 381 N HA -0.113 4.642 4.740 0.025 0.000 0.188 381 N C 1.760 177.187 175.510 -0.137 0.000 1.024 381 N CA 1.376 54.388 53.050 -0.063 0.000 0.852 381 N CB -0.127 38.339 38.487 -0.036 0.000 1.003 381 N HN 0.187 nan 8.380 nan 0.000 0.424 382 M N 0.504 120.020 119.600 -0.139 0.000 2.117 382 M HA -0.153 4.342 4.480 0.025 0.000 0.262 382 M C 1.111 177.355 176.300 -0.093 0.000 1.065 382 M CA 1.346 56.518 55.300 -0.214 0.000 1.114 382 M CB -0.269 32.143 32.600 -0.312 0.000 1.361 382 M HN -0.010 nan 8.290 nan 0.000 0.408 383 D N 0.697 121.108 120.400 0.018 0.000 2.117 383 D HA -0.100 4.555 4.640 0.025 0.000 0.197 383 D C 1.867 178.197 176.300 0.050 0.000 0.987 383 D CA 1.295 55.339 54.000 0.074 0.000 0.829 383 D CB -0.306 40.580 40.800 0.143 0.000 0.961 383 D HN 0.369 nan 8.370 nan 0.000 0.460 384 I N 0.427 120.999 120.570 0.004 0.000 2.202 384 I HA -0.211 3.974 4.170 0.025 0.000 0.242 384 I C 2.350 178.454 176.117 -0.021 0.000 1.091 384 I CA 0.720 62.019 61.300 -0.003 0.000 1.368 384 I CB -0.107 37.878 38.000 -0.024 0.000 1.058 384 I HN -0.050 nan 8.210 nan 0.000 0.410 385 I N 0.684 121.205 120.570 -0.081 0.000 2.179 385 I HA -0.296 3.889 4.170 0.025 0.000 0.242 385 I C 2.768 178.847 176.117 -0.063 0.000 1.088 385 I CA 1.460 62.701 61.300 -0.098 0.000 1.357 385 I CB -0.458 37.407 38.000 -0.226 0.000 1.051 385 I HN 0.188 nan 8.210 nan 0.000 0.409 386 A N 0.680 123.442 122.820 -0.097 0.000 1.898 386 A HA -0.208 4.127 4.320 0.025 0.000 0.216 386 A C 2.296 179.907 177.584 0.046 0.000 1.181 386 A CA 1.563 53.523 52.037 -0.128 0.000 0.620 386 A CB -0.429 18.284 19.000 -0.479 0.000 0.819 386 A HN 0.302 nan 8.150 nan 0.000 0.442 387 K N -0.143 120.345 120.400 0.146 0.000 2.097 387 K HA -0.107 4.228 4.320 0.025 0.000 0.206 387 K C 1.495 178.126 176.600 0.053 0.000 1.049 387 K CA 1.306 57.678 56.287 0.141 0.000 0.933 387 K CB -0.192 32.384 32.500 0.127 0.000 0.717 387 K HN 0.344 nan 8.250 nan 0.000 0.442 388 N N 0.733 119.456 118.700 0.037 0.000 2.453 388 N HA -0.084 4.671 4.740 0.025 0.000 0.183 388 N C 1.098 176.644 175.510 0.059 0.000 1.041 388 N CA 0.906 53.973 53.050 0.028 0.000 0.900 388 N CB 0.145 38.658 38.487 0.044 0.000 0.961 388 N HN 0.192 nan 8.380 nan 0.000 0.443 389 L N -1.333 119.930 121.223 0.066 0.000 2.728 389 L HA 0.281 4.636 4.340 0.025 0.000 0.238 389 L C 1.101 178.018 176.870 0.078 0.000 1.143 389 L CA 0.051 54.955 54.840 0.107 0.000 0.937 389 L CB 0.353 42.472 42.059 0.101 0.000 1.225 389 L HN 0.122 nan 8.230 nan 0.000 0.507 390 G N -0.764 108.053 108.800 0.029 0.000 2.184 390 G HA2 -0.294 3.681 3.960 0.025 0.000 0.206 390 G HA3 -0.294 3.681 3.960 0.025 0.000 0.206 390 G C -0.184 174.697 174.900 -0.032 0.000 0.995 390 G CA -0.325 44.813 45.100 0.063 0.000 0.651 390 G HN 0.312 nan 8.290 nan 0.000 0.511 391 W N 1.955 122.938 121.300 -0.528 0.000 2.251 391 W HA 0.674 5.345 4.660 0.018 0.000 0.329 391 W C -0.015 176.358 176.519 -0.244 0.000 1.234 391 W CA -0.165 56.807 57.345 -0.622 0.000 1.228 391 W CB 0.741 29.713 29.460 -0.814 0.000 1.135 391 W HN 0.058 nan 8.180 nan 0.000 0.576 392 E N 4.823 124.366 120.200 -1.095 0.000 2.393 392 E HA 0.126 4.491 4.350 0.025 0.000 0.273 392 E C 0.528 176.074 176.600 -1.756 0.000 0.918 392 E CA -0.738 54.928 56.400 -1.223 0.000 0.773 392 E CB 2.011 31.392 29.700 -0.531 0.000 1.275 392 E HN 0.750 nan 8.360 nan 0.000 0.451 393 I N 1.355 121.152 120.570 -1.288 0.000 2.264 393 I HA -0.276 3.909 4.170 0.025 0.000 0.248 393 I C 1.831 177.706 176.117 -0.403 0.000 1.111 393 I CA 1.736 62.562 61.300 -0.790 0.000 1.382 393 I CB 0.102 37.905 38.000 -0.329 0.000 1.060 393 I HN 0.638 nan 8.210 nan 0.000 0.418 394 A N 0.135 122.751 122.820 -0.341 0.000 2.070 394 A HA -0.224 4.112 4.320 0.025 0.000 0.220 394 A C 1.700 179.201 177.584 -0.139 0.000 1.159 394 A CA 1.918 53.845 52.037 -0.183 0.000 0.656 394 A CB -0.548 18.361 19.000 -0.151 0.000 0.800 394 A HN 0.507 nan 8.150 nan 0.000 0.453 395 D N -0.794 119.481 120.400 -0.208 0.000 2.289 395 D HA 0.292 4.947 4.640 0.025 0.000 0.207 395 D C 1.403 177.760 176.300 0.096 0.000 0.966 395 D CA 1.201 55.173 54.000 -0.046 0.000 0.868 395 D CB -0.306 40.503 40.800 0.015 0.000 0.943 395 D HN 0.635 nan 8.370 nan 0.000 0.514 396 G N 0.793 109.668 108.800 0.125 0.000 2.741 396 G HA2 -0.202 3.773 3.960 0.025 0.000 0.222 396 G HA3 -0.202 3.773 3.960 0.025 0.000 0.222 396 G C -0.701 174.483 174.900 0.472 0.000 1.364 396 G CA -0.367 44.890 45.100 0.262 0.000 0.866 396 G HN 0.096 nan 8.290 nan 0.000 0.555 397 D N 0.000 120.605 120.400 0.342 0.000 6.856 397 D HA 0.000 4.655 4.640 0.025 0.000 0.175 397 D CA 0.000 54.183 54.000 0.305 0.000 0.868 397 D CB 0.000 40.940 40.800 0.234 0.000 0.688 397 D HN 0.000 nan 8.370 nan 0.000 0.683