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 2fw3_1_A DATA FIRST_RESID 32 DATA SEQUENCE DDYLQHSIVP TMHYQDSLPR LPIPKLEDTM KRYLNAQKPL LDDSQFRRTE DATA SEQUENCE ALCKNFETGV GKELHAHLLA QDKQNKHTSY ISGPWFDMYL TARDSIVLNF DATA SEQUENCE NPFMAFNPDP KSEYNDQLTR ATNLTVSAVR FLKTLQAGLL EPEVFHLNPS DATA SEQUENCE KSDTDAFKRL IRFVPPSLSW YGAYLVNAYP LDMSQYFRLF NSTRIPRPNR DATA SEQUENCE DELFTDTKAR HLLVLRKGHF YVFDVLDQDG NIVNPLEIQA HLKYILSDSS DATA SEQUENCE PVPEFPVAYL TSENRDVWAE LRQKLIFDGN EETLKKVDSA VFCLCLDDFP DATA SEQUENCE MKDLIHLSHT MLHGDGTNRW FDKSFNLIVA EDGTAAVHFE HSWGDGVAVL DATA SEQUENCE RFFNEVFRDS TQTPAITPQS QPAATNSSAS VETLSFNLSG ALKAGITAAK DATA SEQUENCE EKFDTTVKTL SIDSIQFQRG GKEFLKKKQL SPDAVAQLAF QMAFLRQYGQ DATA SEQUENCE TVATYESCST AAFKHGRTET IRPASIFTKR CSEAFVRDPS KHSVGELQHM DATA SEQUENCE MAECSKYHGQ LTKEAAMGQG FDRHLYALRY LATARGLNLP ELYLDPAYQQ DATA SEQUENCE MNHNILSTST LNSPAVSLGG FAPVVPDGFG IAYAVHDDWI GCNVSSYSGR DATA SEQUENCE NAREFLHCVQ KCLEDIFDAL EGK 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 32 D HA 0.000 nan 4.640 nan 0.000 0.175 32 D C 0.000 176.256 176.300 -0.074 0.000 2.045 32 D CA 0.000 54.011 54.000 0.018 0.000 0.868 32 D CB 0.000 40.893 40.800 0.155 0.000 0.688 33 D N -1.518 118.711 120.400 -0.284 0.000 2.535 33 D HA 0.187 4.837 4.640 0.016 0.000 0.229 33 D C -0.794 175.208 176.300 -0.498 0.000 1.238 33 D CA 0.100 53.882 54.000 -0.364 0.000 0.824 33 D CB 0.106 40.709 40.800 -0.329 0.000 1.045 33 D HN 0.201 nan 8.370 nan 0.000 0.500 34 Y N 0.678 120.963 120.300 -0.026 0.000 2.342 34 Y HA 0.214 4.774 4.550 0.016 0.000 0.334 34 Y C 1.158 176.953 175.900 -0.175 0.000 1.067 34 Y CA -1.115 56.891 58.100 -0.156 0.000 1.128 34 Y CB 1.123 39.401 38.460 -0.303 0.000 1.200 34 Y HN -0.222 nan 8.280 nan 0.000 0.464 35 L N -0.686 120.525 121.223 -0.020 0.000 2.667 35 L HA 0.430 4.780 4.340 0.016 0.000 0.232 35 L C -0.061 176.784 176.870 -0.042 0.000 1.138 35 L CA -0.329 54.509 54.840 -0.003 0.000 0.921 35 L CB -0.823 41.257 42.059 0.035 0.000 1.180 35 L HN 0.682 nan 8.230 nan 0.000 0.487 36 Q N -0.718 118.961 119.800 -0.202 0.000 2.472 36 Q HA 0.385 4.735 4.340 0.016 0.000 0.281 36 Q C -1.257 174.491 176.000 -0.420 0.000 0.997 36 Q CA -0.522 55.182 55.803 -0.164 0.000 0.828 36 Q CB 1.475 30.157 28.738 -0.094 0.000 1.443 36 Q HN 0.408 nan 8.270 nan 0.000 0.390 37 H N 0.114 119.170 119.070 -0.024 0.000 2.587 37 H HA 0.275 4.840 4.556 0.016 0.000 0.245 37 H C -0.484 174.798 175.328 -0.077 0.000 1.238 37 H CA -0.160 55.855 56.048 -0.055 0.000 0.963 37 H CB 1.245 30.991 29.762 -0.027 0.000 1.904 37 H HN 0.369 nan 8.280 nan 0.000 0.584 38 S N 1.086 116.762 115.700 -0.040 0.000 2.558 38 S HA -0.020 4.460 4.470 0.016 0.000 0.293 38 S C 1.696 176.241 174.600 -0.092 0.000 1.292 38 S CA -0.200 57.965 58.200 -0.058 0.000 1.063 38 S CB 0.203 63.358 63.200 -0.076 0.000 0.831 38 S HN 0.600 nan 8.310 nan 0.000 0.499 39 I N 3.725 124.230 120.570 -0.108 0.000 2.852 39 I HA 0.189 4.369 4.170 0.016 0.000 0.264 39 I C 0.214 176.185 176.117 -0.242 0.000 1.179 39 I CA -0.029 61.176 61.300 -0.158 0.000 1.480 39 I CB -0.296 37.609 38.000 -0.159 0.000 1.111 39 I HN 0.278 nan 8.210 nan 0.000 0.441 40 V N 3.398 123.155 119.914 -0.262 0.000 2.555 40 V HA 0.248 4.378 4.120 0.016 0.000 0.286 40 V C -2.183 173.753 176.094 -0.263 0.000 1.044 40 V CA -1.377 60.694 62.300 -0.382 0.000 1.026 40 V CB -0.109 31.486 31.823 -0.379 0.000 0.981 40 V HN 0.082 nan 8.190 nan 0.000 0.480 41 P HA 0.146 nan 4.420 nan 0.000 0.268 41 P C 1.072 178.322 177.300 -0.082 0.000 1.205 41 P CA 0.031 63.054 63.100 -0.129 0.000 0.771 41 P CB 0.472 32.133 31.700 -0.065 0.000 0.858 42 T N 1.354 115.868 114.554 -0.066 0.000 2.737 42 T HA -0.135 4.224 4.350 0.016 0.000 0.269 42 T C 1.362 176.063 174.700 0.001 0.000 1.040 42 T CA 1.525 63.598 62.100 -0.045 0.000 1.142 42 T CB -0.368 68.456 68.868 -0.073 0.000 0.861 42 T HN 0.389 nan 8.240 nan 0.000 0.456 43 M N 0.046 119.655 119.600 0.015 0.000 2.371 43 M HA 0.226 4.716 4.480 0.016 0.000 0.246 43 M C 1.486 177.810 176.300 0.040 0.000 1.103 43 M CA 0.206 55.532 55.300 0.045 0.000 1.010 43 M CB -0.872 31.756 32.600 0.045 0.000 1.457 43 M HN 0.275 nan 8.290 nan 0.000 0.486 44 H N 0.534 119.528 119.070 -0.128 0.000 2.444 44 H HA -0.238 4.327 4.556 0.016 0.000 0.294 44 H C 0.821 175.996 175.328 -0.255 0.000 1.125 44 H CA 2.450 58.348 56.048 -0.251 0.000 1.230 44 H CB 0.058 29.552 29.762 -0.447 0.000 1.361 44 H HN 0.344 nan 8.280 nan 0.000 0.508 45 Y N -0.950 119.392 120.300 0.070 0.000 2.458 45 Y HA 0.048 4.608 4.550 0.016 0.000 0.254 45 Y C 2.142 178.056 175.900 0.023 0.000 1.120 45 Y CA -0.035 58.100 58.100 0.057 0.000 1.282 45 Y CB 0.253 38.813 38.460 0.166 0.000 1.109 45 Y HN 0.162 nan 8.280 nan 0.000 0.526 46 Q N 0.599 120.487 119.800 0.146 0.000 2.197 46 Q HA -0.198 4.152 4.340 0.016 0.000 0.207 46 Q C 0.918 176.929 176.000 0.019 0.000 0.984 46 Q CA 1.541 57.396 55.803 0.086 0.000 0.869 46 Q CB -0.230 28.559 28.738 0.085 0.000 0.906 46 Q HN 0.555 nan 8.270 nan 0.000 0.426 47 D N -0.352 120.048 120.400 -0.000 0.000 2.277 47 D HA -0.032 4.618 4.640 0.016 0.000 0.208 47 D C 1.021 177.297 176.300 -0.040 0.000 0.962 47 D CA 0.837 54.823 54.000 -0.022 0.000 0.865 47 D CB 0.234 41.019 40.800 -0.025 0.000 0.939 47 D HN 0.244 nan 8.370 nan 0.000 0.510 48 S N -0.270 115.405 115.700 -0.042 0.000 2.664 48 S HA 0.240 4.720 4.470 0.016 0.000 0.245 48 S C 0.697 175.064 174.600 -0.389 0.000 1.019 48 S CA -0.498 57.628 58.200 -0.123 0.000 0.996 48 S CB -0.030 63.131 63.200 -0.065 0.000 0.878 48 S HN 0.010 nan 8.310 nan 0.000 0.493 49 L N 3.233 124.232 121.223 -0.374 0.000 2.485 49 L HA 0.292 4.641 4.340 0.016 0.000 0.275 49 L C -1.815 174.663 176.870 -0.654 0.000 1.207 49 L CA -1.509 52.945 54.840 -0.643 0.000 0.855 49 L CB -0.017 41.865 42.059 -0.295 0.000 1.114 49 L HN 0.132 nan 8.230 nan 0.000 0.485 50 P HA 0.175 nan 4.420 nan 0.000 0.276 50 P C -0.848 176.382 177.300 -0.115 0.000 1.261 50 P CA -0.652 62.152 63.100 -0.493 0.000 0.800 50 P CB 0.698 32.062 31.700 -0.559 0.000 1.066 51 R N 0.377 120.849 120.500 -0.045 0.000 2.490 51 R HA 0.256 4.605 4.340 0.016 0.000 0.280 51 R C 0.013 176.294 176.300 -0.033 0.000 1.077 51 R CA -0.814 55.273 56.100 -0.020 0.000 1.065 51 R CB -0.063 30.202 30.300 -0.059 0.000 1.003 51 R HN 0.355 nan 8.270 nan 0.000 0.470 52 L N 6.670 127.809 121.223 -0.140 0.000 2.615 52 L HA 0.135 4.485 4.340 0.016 0.000 0.271 52 L C -2.187 174.463 176.870 -0.367 0.000 1.183 52 L CA -1.147 53.386 54.840 -0.511 0.000 0.933 52 L CB 0.210 42.108 42.059 -0.268 0.000 1.199 52 L HN 0.520 nan 8.230 nan 0.000 0.487 53 P HA 0.252 nan 4.420 nan 0.000 0.275 53 P C -0.708 176.366 177.300 -0.376 0.000 1.228 53 P CA -0.108 62.790 63.100 -0.337 0.000 0.786 53 P CB 0.586 32.119 31.700 -0.278 0.000 0.927 54 I N 4.214 124.526 120.570 -0.430 0.000 2.315 54 I HA 0.261 4.441 4.170 0.016 0.000 0.291 54 I C -1.915 173.965 176.117 -0.394 0.000 1.006 54 I CA -2.220 58.717 61.300 -0.605 0.000 1.265 54 I CB 0.970 38.595 38.000 -0.626 0.000 1.387 54 I HN 0.212 nan 8.210 nan 0.000 0.475 55 P HA 0.174 nan 4.420 nan 0.000 0.272 55 P C -0.981 176.250 177.300 -0.114 0.000 1.230 55 P CA -0.551 62.401 63.100 -0.246 0.000 0.788 55 P CB 0.482 32.065 31.700 -0.195 0.000 0.949 56 K N 0.909 121.296 120.400 -0.022 0.000 2.258 56 K HA 0.100 4.429 4.320 0.016 0.000 0.264 56 K C 0.918 177.497 176.600 -0.036 0.000 1.007 56 K CA -0.599 55.691 56.287 0.005 0.000 0.941 56 K CB 0.140 32.649 32.500 0.016 0.000 0.966 56 K HN 0.236 nan 8.250 nan 0.000 0.480 57 L N 2.224 123.346 121.223 -0.168 0.000 2.156 57 L HA -0.082 4.268 4.340 0.016 0.000 0.208 57 L C 2.023 178.876 176.870 -0.028 0.000 1.095 57 L CA 1.697 56.442 54.840 -0.158 0.000 0.770 57 L CB -0.684 41.164 42.059 -0.351 0.000 0.914 57 L HN 0.793 nan 8.230 nan 0.000 0.439 58 E N -0.679 119.507 120.200 -0.023 0.000 2.118 58 E HA -0.248 4.112 4.350 0.016 0.000 0.195 58 E C 1.475 178.094 176.600 0.032 0.000 0.992 58 E CA 1.507 57.910 56.400 0.006 0.000 0.804 58 E CB 0.151 29.854 29.700 0.005 0.000 0.741 58 E HN 0.527 nan 8.360 nan 0.000 0.458 59 D N -0.372 120.054 120.400 0.043 0.000 2.084 59 D HA -0.109 4.541 4.640 0.016 0.000 0.196 59 D C 1.953 178.312 176.300 0.098 0.000 0.985 59 D CA 1.508 55.546 54.000 0.064 0.000 0.826 59 D CB -0.717 40.117 40.800 0.058 0.000 0.978 59 D HN 0.127 nan 8.370 nan 0.000 0.456 60 T N 1.443 116.082 114.554 0.141 0.000 2.685 60 T HA -0.188 4.172 4.350 0.016 0.000 0.268 60 T C 1.873 176.646 174.700 0.122 0.000 1.034 60 T CA 1.317 63.548 62.100 0.218 0.000 1.149 60 T CB -0.086 68.993 68.868 0.351 0.000 0.860 60 T HN 0.079 nan 8.240 nan 0.000 0.449 61 M N 0.710 120.349 119.600 0.064 0.000 2.156 61 M HA 0.079 4.569 4.480 0.016 0.000 0.264 61 M C 2.147 178.477 176.300 0.051 0.000 1.067 61 M CA 1.295 56.617 55.300 0.036 0.000 1.131 61 M CB -1.004 31.603 32.600 0.013 0.000 1.368 61 M HN 0.188 nan 8.290 nan 0.000 0.416 62 K N 0.184 120.611 120.400 0.044 0.000 2.009 62 K HA -0.140 4.190 4.320 0.016 0.000 0.210 62 K C 2.229 178.840 176.600 0.018 0.000 1.049 62 K CA 1.460 57.773 56.287 0.042 0.000 0.929 62 K CB -0.081 32.451 32.500 0.054 0.000 0.714 62 K HN 0.256 nan 8.250 nan 0.000 0.440 63 R N -0.544 119.970 120.500 0.023 0.000 2.081 63 R HA -0.188 4.162 4.340 0.016 0.000 0.235 63 R C 2.287 178.364 176.300 -0.372 0.000 1.131 63 R CA 1.677 57.775 56.100 -0.005 0.000 0.960 63 R CB -0.491 29.903 30.300 0.157 0.000 0.856 63 R HN 0.287 nan 8.270 nan 0.000 0.436 64 Y N 1.179 121.063 120.300 -0.694 0.000 2.128 64 Y HA -0.198 4.361 4.550 0.016 0.000 0.284 64 Y C 1.773 177.373 175.900 -0.499 0.000 1.154 64 Y CA 1.566 59.042 58.100 -1.040 0.000 1.149 64 Y CB -0.153 37.980 38.460 -0.545 0.000 0.976 64 Y HN -0.030 nan 8.280 nan 0.000 0.505 65 L N -0.121 120.961 121.223 -0.235 0.000 2.240 65 L HA -0.149 4.201 4.340 0.016 0.000 0.211 65 L C 2.154 179.034 176.870 0.017 0.000 1.106 65 L CA 0.623 55.395 54.840 -0.113 0.000 0.793 65 L CB -0.484 41.587 42.059 0.021 0.000 0.927 65 L HN 0.243 nan 8.230 nan 0.000 0.446 66 N N 0.444 119.123 118.700 -0.034 0.000 2.120 66 N HA -0.142 4.608 4.740 0.016 0.000 0.188 66 N C 1.875 177.380 175.510 -0.009 0.000 1.024 66 N CA 1.532 54.587 53.050 0.007 0.000 0.852 66 N CB -0.067 38.466 38.487 0.077 0.000 1.003 66 N HN 0.294 nan 8.380 nan 0.000 0.424 67 A N 1.183 123.953 122.820 -0.084 0.000 1.969 67 A HA -0.105 4.225 4.320 0.016 0.000 0.218 67 A C 2.111 179.652 177.584 -0.072 0.000 1.169 67 A CA 1.011 53.024 52.037 -0.039 0.000 0.635 67 A CB -0.191 18.785 19.000 -0.039 0.000 0.810 67 A HN 0.212 nan 8.150 nan 0.000 0.445 68 Q N -0.197 119.508 119.800 -0.158 0.000 2.187 68 Q HA -0.070 4.280 4.340 0.016 0.000 0.199 68 Q C 1.828 177.841 176.000 0.022 0.000 0.957 68 Q CA 0.800 56.552 55.803 -0.085 0.000 0.857 68 Q CB -0.312 28.340 28.738 -0.143 0.000 0.929 68 Q HN 0.571 nan 8.270 nan 0.000 0.453 69 K N 0.520 120.914 120.400 -0.010 0.000 2.059 69 K HA -0.161 4.169 4.320 0.016 0.000 0.212 69 K C -0.643 175.856 176.600 -0.168 0.000 1.050 69 K CA 1.531 57.690 56.287 -0.213 0.000 0.927 69 K CB -1.040 31.273 32.500 -0.312 0.000 0.714 69 K HN 0.222 nan 8.250 nan 0.000 0.447 70 P HA -0.077 nan 4.420 nan 0.000 0.229 70 P C 1.268 178.550 177.300 -0.030 0.000 1.160 70 P CA 1.091 64.150 63.100 -0.069 0.000 0.777 70 P CB 0.036 31.718 31.700 -0.030 0.000 0.814 71 L N -1.907 119.308 121.223 -0.014 0.000 2.286 71 L HA 0.176 4.526 4.340 0.016 0.000 0.203 71 L C 1.588 178.468 176.870 0.018 0.000 1.068 71 L CA 0.159 55.004 54.840 0.009 0.000 0.811 71 L CB -0.890 41.176 42.059 0.012 0.000 0.989 71 L HN -0.195 nan 8.230 nan 0.000 0.467 72 L N 1.383 122.624 121.223 0.030 0.000 2.436 72 L HA 0.142 4.491 4.340 0.016 0.000 0.265 72 L C -0.105 176.787 176.870 0.036 0.000 1.168 72 L CA -0.486 54.388 54.840 0.057 0.000 0.815 72 L CB 0.476 42.614 42.059 0.133 0.000 1.109 72 L HN 0.247 nan 8.230 nan 0.000 0.462 73 D N -0.687 119.739 120.400 0.043 0.000 2.451 73 D HA 0.046 4.696 4.640 0.016 0.000 0.259 73 D C 0.466 176.799 176.300 0.055 0.000 1.201 73 D CA -0.505 53.513 54.000 0.029 0.000 1.028 73 D CB 0.612 41.427 40.800 0.026 0.000 1.095 73 D HN 0.393 nan 8.370 nan 0.000 0.539 74 D N -0.868 119.553 120.400 0.035 0.000 2.127 74 D HA -0.213 4.437 4.640 0.016 0.000 0.190 74 D C 2.093 178.454 176.300 0.102 0.000 1.000 74 D CA 2.789 56.821 54.000 0.053 0.000 0.839 74 D CB -0.493 40.323 40.800 0.026 0.000 0.955 74 D HN 0.492 nan 8.370 nan 0.000 0.446 75 S N -0.338 115.404 115.700 0.069 0.000 2.395 75 S HA -0.110 4.369 4.470 0.016 0.000 0.225 75 S C 1.885 176.521 174.600 0.060 0.000 1.027 75 S CA 0.521 58.756 58.200 0.058 0.000 0.965 75 S CB -0.435 62.786 63.200 0.035 0.000 0.812 75 S HN 0.313 nan 8.310 nan 0.000 0.482 76 Q N 0.186 120.025 119.800 0.066 0.000 2.096 76 Q HA -0.093 4.257 4.340 0.016 0.000 0.204 76 Q C 1.881 177.922 176.000 0.068 0.000 0.982 76 Q CA 1.652 57.489 55.803 0.057 0.000 0.850 76 Q CB -0.425 28.349 28.738 0.059 0.000 0.901 76 Q HN 0.642 nan 8.270 nan 0.000 0.422 77 F N 1.563 121.498 119.950 -0.025 0.000 2.146 77 F HA -0.151 4.386 4.527 0.016 0.000 0.298 77 F C 2.237 178.023 175.800 -0.024 0.000 1.096 77 F CA 1.193 59.172 58.000 -0.036 0.000 1.275 77 F CB 0.066 39.039 39.000 -0.045 0.000 1.008 77 F HN -0.101 nan 8.300 nan 0.000 0.480 78 R N 0.321 120.855 120.500 0.056 0.000 2.097 78 R HA -0.193 4.157 4.340 0.016 0.000 0.236 78 R C 2.401 178.639 176.300 -0.104 0.000 1.135 78 R CA 1.505 57.594 56.100 -0.019 0.000 0.934 78 R CB -1.081 29.242 30.300 0.039 0.000 0.846 78 R HN 0.281 nan 8.270 nan 0.000 0.431 79 R N 0.275 120.738 120.500 -0.062 0.000 2.112 79 R HA -0.130 4.220 4.340 0.016 0.000 0.242 79 R C 2.240 178.481 176.300 -0.099 0.000 1.137 79 R CA 2.331 58.396 56.100 -0.059 0.000 0.944 79 R CB -0.699 29.585 30.300 -0.027 0.000 0.857 79 R HN 0.316 nan 8.270 nan 0.000 0.435 80 T N 0.428 114.896 114.554 -0.142 0.000 2.720 80 T HA -0.188 4.172 4.350 0.016 0.000 0.268 80 T C 1.700 176.284 174.700 -0.193 0.000 1.037 80 T CA 1.638 63.648 62.100 -0.148 0.000 1.144 80 T CB -0.211 68.546 68.868 -0.184 0.000 0.864 80 T HN 0.452 nan 8.240 nan 0.000 0.444 81 E N 0.883 120.885 120.200 -0.330 0.000 2.110 81 E HA -0.102 4.258 4.350 0.016 0.000 0.193 81 E C 2.430 178.945 176.600 -0.141 0.000 0.988 81 E CA 0.857 57.085 56.400 -0.285 0.000 0.804 81 E CB -0.224 29.251 29.700 -0.374 0.000 0.745 81 E HN 0.492 nan 8.360 nan 0.000 0.458 82 A N 1.010 123.761 122.820 -0.114 0.000 1.883 82 A HA -0.204 4.125 4.320 0.016 0.000 0.217 82 A C 2.165 179.716 177.584 -0.055 0.000 1.186 82 A CA 1.455 53.452 52.037 -0.067 0.000 0.624 82 A CB -0.750 18.218 19.000 -0.052 0.000 0.822 82 A HN 0.299 nan 8.150 nan 0.000 0.444 83 L N -0.815 120.368 121.223 -0.066 0.000 2.017 83 L HA -0.244 4.106 4.340 0.016 0.000 0.208 83 L C 2.700 179.537 176.870 -0.055 0.000 1.073 83 L CA 1.415 56.218 54.840 -0.062 0.000 0.745 83 L CB -0.752 41.253 42.059 -0.089 0.000 0.894 83 L HN 0.485 nan 8.230 nan 0.000 0.432 84 C N -0.462 118.792 119.300 -0.078 0.000 2.410 84 C HA -0.178 4.292 4.460 0.016 0.000 0.281 84 C C 2.855 177.845 174.990 -0.001 0.000 1.318 84 C CA 0.790 59.770 59.018 -0.063 0.000 1.776 84 C CB -0.786 26.922 27.740 -0.053 0.000 1.942 84 C HN 0.424 nan 8.230 nan 0.000 0.508 85 K N 1.077 121.467 120.400 -0.016 0.000 2.031 85 K HA -0.064 4.266 4.320 0.016 0.000 0.205 85 K C 1.896 178.497 176.600 0.003 0.000 1.049 85 K CA 1.249 57.531 56.287 -0.007 0.000 0.939 85 K CB -0.105 32.383 32.500 -0.019 0.000 0.717 85 K HN 0.361 nan 8.250 nan 0.000 0.438 86 N N 0.574 119.277 118.700 0.005 0.000 2.018 86 N HA -0.222 4.528 4.740 0.016 0.000 0.196 86 N C 1.580 177.099 175.510 0.015 0.000 1.043 86 N CA 1.453 54.506 53.050 0.005 0.000 0.856 86 N CB -0.652 37.838 38.487 0.005 0.000 1.042 86 N HN 0.135 nan 8.380 nan 0.000 0.423 87 F N 1.749 121.627 119.950 -0.120 0.000 2.154 87 F HA -0.190 4.347 4.527 0.016 0.000 0.301 87 F C 2.428 178.159 175.800 -0.116 0.000 1.087 87 F CA 1.552 59.467 58.000 -0.141 0.000 1.274 87 F CB -0.074 38.794 39.000 -0.221 0.000 1.009 87 F HN 0.176 nan 8.300 nan 0.000 0.485 88 E N -0.916 119.317 120.200 0.056 0.000 2.107 88 E HA -0.174 4.186 4.350 0.016 0.000 0.191 88 E C 1.605 178.160 176.600 -0.076 0.000 0.982 88 E CA 1.643 58.040 56.400 -0.004 0.000 0.809 88 E CB -0.040 29.671 29.700 0.019 0.000 0.756 88 E HN 0.480 nan 8.360 nan 0.000 0.459 89 T N -3.736 110.775 114.554 -0.072 0.000 3.040 89 T HA 0.358 4.718 4.350 0.016 0.000 0.266 89 T C 0.819 175.465 174.700 -0.091 0.000 1.005 89 T CA -0.049 62.009 62.100 -0.070 0.000 0.906 89 T CB 1.150 69.993 68.868 -0.041 0.000 1.082 89 T HN 0.127 nan 8.240 nan 0.000 0.531 90 G N 1.046 109.768 108.800 -0.129 0.000 3.374 90 G HA2 0.382 4.352 3.960 0.016 0.000 0.200 90 G HA3 0.382 4.352 3.960 0.016 0.000 0.200 90 G C 0.993 175.755 174.900 -0.229 0.000 1.801 90 G CA 0.300 45.316 45.100 -0.140 0.000 0.842 90 G HN 0.075 nan 8.290 nan 0.000 0.688 91 V N 1.400 121.148 119.914 -0.276 0.000 2.343 91 V HA -0.034 4.095 4.120 0.016 0.000 0.247 91 V C 2.935 178.675 176.094 -0.589 0.000 1.051 91 V CA 3.084 65.184 62.300 -0.332 0.000 1.036 91 V CB -0.879 30.815 31.823 -0.215 0.000 0.654 91 V HN 0.639 nan 8.190 nan 0.000 0.451 92 G N -0.099 107.942 108.800 -1.265 0.000 2.529 92 G HA2 -0.435 3.535 3.960 0.016 0.000 0.219 92 G HA3 -0.435 3.535 3.960 0.016 0.000 0.219 92 G C 1.542 176.110 174.900 -0.552 0.000 1.177 92 G CA 1.378 45.489 45.100 -1.648 0.000 0.773 92 G HN 0.622 nan 8.290 nan 0.000 0.573 93 K N 0.257 120.442 120.400 -0.359 0.000 2.113 93 K HA -0.162 4.168 4.320 0.016 0.000 0.208 93 K C 2.217 178.783 176.600 -0.056 0.000 1.047 93 K CA 1.833 58.039 56.287 -0.134 0.000 0.928 93 K CB -0.102 32.339 32.500 -0.098 0.000 0.716 93 K HN 0.242 nan 8.250 nan 0.000 0.446 94 E N 0.713 120.843 120.200 -0.117 0.000 2.112 94 E HA -0.081 4.279 4.350 0.016 0.000 0.190 94 E C 2.154 178.729 176.600 -0.042 0.000 0.979 94 E CA 0.822 57.181 56.400 -0.068 0.000 0.814 94 E CB -0.094 29.535 29.700 -0.118 0.000 0.762 94 E HN 0.403 nan 8.360 nan 0.000 0.460 95 L N 0.187 121.363 121.223 -0.079 0.000 2.083 95 L HA -0.200 4.150 4.340 0.016 0.000 0.209 95 L C 2.584 179.525 176.870 0.118 0.000 1.083 95 L CA 1.218 56.063 54.840 0.008 0.000 0.752 95 L CB -0.480 41.583 42.059 0.008 0.000 0.899 95 L HN 0.163 nan 8.230 nan 0.000 0.433 96 H N 0.076 119.152 119.070 0.009 0.000 2.326 96 H HA -0.094 4.472 4.556 0.016 0.000 0.301 96 H C 2.188 177.561 175.328 0.075 0.000 1.081 96 H CA 1.377 57.461 56.048 0.060 0.000 1.334 96 H CB 0.004 29.792 29.762 0.043 0.000 1.385 96 H HN 0.254 nan 8.280 nan 0.000 0.504 97 A N 0.066 122.957 122.820 0.118 0.000 1.958 97 A HA -0.276 4.053 4.320 0.016 0.000 0.221 97 A C 2.118 179.724 177.584 0.036 0.000 1.178 97 A CA 2.138 54.220 52.037 0.076 0.000 0.642 97 A CB -0.825 18.267 19.000 0.152 0.000 0.816 97 A HN 0.695 nan 8.150 nan 0.000 0.453 98 H N -2.234 116.813 119.070 -0.038 0.000 2.465 98 H HA 0.052 4.618 4.556 0.016 0.000 0.289 98 H C 2.047 177.363 175.328 -0.021 0.000 1.022 98 H CA 1.159 57.195 56.048 -0.020 0.000 1.340 98 H CB 0.118 29.881 29.762 0.002 0.000 1.437 98 H HN 0.452 nan 8.280 nan 0.000 0.539 99 L N 1.076 122.340 121.223 0.069 0.000 2.141 99 L HA -0.111 4.239 4.340 0.016 0.000 0.209 99 L C 2.028 178.844 176.870 -0.091 0.000 1.094 99 L CA 1.128 55.986 54.840 0.030 0.000 0.763 99 L CB -0.464 41.640 42.059 0.075 0.000 0.908 99 L HN 0.137 nan 8.230 nan 0.000 0.437 100 L N -0.799 120.299 121.223 -0.209 0.000 2.056 100 L HA -0.113 4.236 4.340 0.016 0.000 0.207 100 L C 2.639 179.426 176.870 -0.139 0.000 1.078 100 L CA 1.082 55.783 54.840 -0.230 0.000 0.749 100 L CB -0.847 41.038 42.059 -0.290 0.000 0.901 100 L HN 0.367 nan 8.230 nan 0.000 0.433 101 A N -0.522 122.218 122.820 -0.132 0.000 1.897 101 A HA -0.230 4.099 4.320 0.016 0.000 0.215 101 A C 2.246 179.781 177.584 -0.082 0.000 1.181 101 A CA 1.386 53.349 52.037 -0.124 0.000 0.620 101 A CB -0.477 18.404 19.000 -0.199 0.000 0.821 101 A HN 0.465 nan 8.150 nan 0.000 0.443 102 Q N -0.200 119.564 119.800 -0.060 0.000 2.124 102 Q HA -0.271 4.079 4.340 0.016 0.000 0.202 102 Q C 1.684 177.693 176.000 0.015 0.000 0.977 102 Q CA 2.102 57.905 55.803 0.000 0.000 0.850 102 Q CB -0.259 28.508 28.738 0.048 0.000 0.901 102 Q HN 0.634 nan 8.270 nan 0.000 0.429 103 D N 0.030 120.428 120.400 -0.005 0.000 2.144 103 D HA -0.146 4.504 4.640 0.016 0.000 0.200 103 D C 1.680 177.969 176.300 -0.018 0.000 0.978 103 D CA 1.190 55.188 54.000 -0.005 0.000 0.833 103 D CB 0.082 40.857 40.800 -0.041 0.000 0.961 103 D HN 0.154 nan 8.370 nan 0.000 0.470 104 K N -0.461 119.919 120.400 -0.034 0.000 2.147 104 K HA -0.123 4.207 4.320 0.016 0.000 0.205 104 K C 2.110 178.711 176.600 0.001 0.000 1.049 104 K CA 0.985 57.257 56.287 -0.024 0.000 0.936 104 K CB -0.006 32.472 32.500 -0.037 0.000 0.722 104 K HN 0.328 nan 8.250 nan 0.000 0.446 105 Q N -0.168 119.638 119.800 0.009 0.000 2.432 105 Q HA 0.024 4.374 4.340 0.016 0.000 0.205 105 Q C 0.025 176.071 176.000 0.077 0.000 0.945 105 Q CA 0.444 56.267 55.803 0.033 0.000 0.924 105 Q CB 0.422 29.175 28.738 0.025 0.000 1.016 105 Q HN 0.152 nan 8.270 nan 0.000 0.503 106 N N 0.138 118.883 118.700 0.075 0.000 2.696 106 N HA 0.116 4.866 4.740 0.016 0.000 0.308 106 N C -0.285 175.244 175.510 0.031 0.000 1.915 106 N CA 0.023 53.143 53.050 0.117 0.000 0.906 106 N CB 0.817 39.347 38.487 0.073 0.000 1.284 106 N HN 0.070 nan 8.380 nan 0.000 0.488 107 K N 0.019 120.466 120.400 0.079 0.000 2.211 107 K HA -0.122 4.208 4.320 0.016 0.000 0.203 107 K C 1.832 178.429 176.600 -0.005 0.000 1.050 107 K CA 0.892 57.192 56.287 0.022 0.000 0.945 107 K CB -0.005 32.515 32.500 0.033 0.000 0.732 107 K HN 0.470 nan 8.250 nan 0.000 0.451 108 H N -0.902 118.170 119.070 0.003 0.000 2.521 108 H HA 0.000 4.566 4.556 0.016 0.000 0.286 108 H C 0.681 175.983 175.328 -0.043 0.000 1.034 108 H CA 0.911 56.950 56.048 -0.014 0.000 1.278 108 H CB 0.003 29.781 29.762 0.026 0.000 1.386 108 H HN -0.083 nan 8.280 nan 0.000 0.567 109 T N 0.386 114.604 114.554 -0.559 0.000 2.858 109 T HA 0.420 4.780 4.350 0.016 0.000 0.285 109 T C -0.665 173.960 174.700 -0.123 0.000 1.052 109 T CA -0.170 61.762 62.100 -0.280 0.000 1.009 109 T CB 1.646 70.386 68.868 -0.212 0.000 1.241 109 T HN 0.472 nan 8.240 nan 0.000 0.542 110 S N 0.675 116.373 115.700 -0.002 0.000 2.585 110 S HA 0.273 4.752 4.470 0.016 0.000 0.277 110 S C 1.063 175.653 174.600 -0.016 0.000 1.241 110 S CA -0.428 57.767 58.200 -0.009 0.000 1.041 110 S CB 0.434 63.604 63.200 -0.050 0.000 0.987 110 S HN 0.868 nan 8.310 nan 0.000 0.512 111 Y N 1.848 122.095 120.300 -0.087 0.000 2.483 111 Y HA 0.050 4.609 4.550 0.016 0.000 0.291 111 Y C 1.469 177.337 175.900 -0.054 0.000 1.143 111 Y CA 0.806 58.871 58.100 -0.059 0.000 1.289 111 Y CB -0.241 38.187 38.460 -0.054 0.000 0.983 111 Y HN 0.576 nan 8.280 nan 0.000 0.556 112 I N -0.410 119.635 120.570 -0.875 0.000 3.265 112 I HA 0.003 4.182 4.170 0.016 0.000 0.282 112 I C 2.417 178.328 176.117 -0.344 0.000 1.207 112 I CA 0.551 61.409 61.300 -0.738 0.000 1.449 112 I CB -0.579 36.843 38.000 -0.963 0.000 1.121 112 I HN 0.307 nan 8.210 nan 0.000 0.442 113 S N 0.573 116.118 115.700 -0.259 0.000 2.377 113 S HA -0.224 4.255 4.470 0.016 0.000 0.224 113 S C 2.162 176.711 174.600 -0.084 0.000 1.042 113 S CA 2.048 60.130 58.200 -0.197 0.000 1.086 113 S CB -1.093 62.048 63.200 -0.098 0.000 0.995 113 S HN 0.630 nan 8.310 nan 0.000 0.428 114 G N 2.011 110.828 108.800 0.028 0.000 2.514 114 G HA2 -0.178 3.792 3.960 0.016 0.000 0.217 114 G HA3 -0.178 3.792 3.960 0.016 0.000 0.217 114 G C -0.829 174.063 174.900 -0.013 0.000 1.198 114 G CA 1.089 46.260 45.100 0.118 0.000 0.780 114 G HN 0.485 nan 8.290 nan 0.000 0.565 115 P HA -0.094 nan 4.420 nan 0.000 0.221 115 P C 1.293 178.594 177.300 0.002 0.000 1.145 115 P CA 0.749 63.480 63.100 -0.615 0.000 0.795 115 P CB -0.058 31.149 31.700 -0.821 0.000 0.775 116 W N -1.588 119.567 121.300 -0.241 0.000 2.539 116 W HA -0.021 4.649 4.660 0.016 0.000 0.281 116 W C 1.394 177.858 176.519 -0.091 0.000 1.220 116 W CA 0.184 57.366 57.345 -0.273 0.000 1.332 116 W CB -0.351 28.874 29.460 -0.391 0.000 1.095 116 W HN -0.145 nan 8.180 nan 0.000 0.571 117 F N 1.726 121.723 119.950 0.079 0.000 2.126 117 F HA -0.240 4.297 4.527 0.016 0.000 0.299 117 F C 2.087 177.894 175.800 0.011 0.000 1.096 117 F CA 1.740 59.773 58.000 0.056 0.000 1.255 117 F CB -1.145 37.894 39.000 0.065 0.000 0.997 117 F HN -0.198 nan 8.300 nan 0.000 0.479 118 D N -0.689 119.839 120.400 0.214 0.000 2.219 118 D HA -0.162 4.488 4.640 0.016 0.000 0.205 118 D C 2.432 178.754 176.300 0.038 0.000 0.970 118 D CA 0.526 54.621 54.000 0.159 0.000 0.851 118 D CB -0.314 40.659 40.800 0.288 0.000 0.943 118 D HN 0.112 nan 8.370 nan 0.000 0.488 119 M N -0.447 119.083 119.600 -0.117 0.000 2.065 119 M HA -0.252 4.238 4.480 0.016 0.000 0.259 119 M C 1.663 177.675 176.300 -0.479 0.000 1.069 119 M CA 1.586 56.676 55.300 -0.349 0.000 1.110 119 M CB -0.687 31.365 32.600 -0.914 0.000 1.328 119 M HN 0.092 nan 8.290 nan 0.000 0.405 120 Y N 0.284 120.296 120.300 -0.479 0.000 2.114 120 Y HA -0.218 4.341 4.550 0.016 0.000 0.284 120 Y C 2.395 178.076 175.900 -0.364 0.000 1.143 120 Y CA 1.530 59.293 58.100 -0.562 0.000 1.135 120 Y CB -0.363 37.818 38.460 -0.465 0.000 0.980 120 Y HN 0.220 nan 8.280 nan 0.000 0.499 121 L N -0.732 120.490 121.223 -0.003 0.000 2.418 121 L HA -0.088 4.262 4.340 0.016 0.000 0.218 121 L C 2.243 179.113 176.870 0.000 0.000 1.125 121 L CA 1.421 56.270 54.840 0.014 0.000 0.835 121 L CB -0.392 41.701 42.059 0.057 0.000 0.953 121 L HN 0.376 nan 8.230 nan 0.000 0.454 122 T N -3.467 111.082 114.554 -0.010 0.000 3.033 122 T HA 0.222 4.582 4.350 0.016 0.000 0.248 122 T C 1.160 175.860 174.700 -0.000 0.000 1.040 122 T CA 0.289 62.393 62.100 0.007 0.000 1.133 122 T CB -0.206 68.680 68.868 0.029 0.000 0.895 122 T HN 0.123 nan 8.240 nan 0.000 0.465 123 A N 3.123 125.927 122.820 -0.027 0.000 2.538 123 A HA 0.009 4.339 4.320 0.016 0.000 0.280 123 A C 1.432 179.046 177.584 0.050 0.000 0.987 123 A CA -0.105 51.940 52.037 0.014 0.000 0.992 123 A CB -0.041 18.948 19.000 -0.019 0.000 0.841 123 A HN 0.465 nan 8.150 nan 0.000 0.478 124 R N 2.043 122.580 120.500 0.061 0.000 2.297 124 R HA 0.040 4.390 4.340 0.016 0.000 0.197 124 R C -0.249 176.106 176.300 0.092 0.000 0.943 124 R CA 0.004 56.145 56.100 0.069 0.000 1.038 124 R CB -0.584 29.745 30.300 0.049 0.000 0.957 124 R HN 0.717 nan 8.270 nan 0.000 0.484 125 D N 1.457 121.925 120.400 0.112 0.000 2.346 125 D HA -0.067 4.583 4.640 0.016 0.000 0.236 125 D C 0.274 176.657 176.300 0.139 0.000 1.259 125 D CA 0.334 54.399 54.000 0.108 0.000 0.898 125 D CB 0.577 41.439 40.800 0.102 0.000 1.178 125 D HN -0.092 nan 8.370 nan 0.000 0.457 126 S N -0.351 115.398 115.700 0.081 0.000 2.568 126 S HA 0.040 4.520 4.470 0.016 0.000 0.282 126 S C 1.576 176.258 174.600 0.137 0.000 1.338 126 S CA -0.622 57.619 58.200 0.069 0.000 1.045 126 S CB 0.131 63.324 63.200 -0.011 0.000 0.873 126 S HN 0.417 nan 8.310 nan 0.000 0.516 127 I N 2.382 123.043 120.570 0.153 0.000 3.226 127 I HA 0.239 4.419 4.170 0.016 0.000 0.277 127 I C 0.138 176.321 176.117 0.110 0.000 1.243 127 I CA -0.060 61.407 61.300 0.278 0.000 1.459 127 I CB -0.194 37.956 38.000 0.250 0.000 1.093 127 I HN 0.217 nan 8.210 nan 0.000 0.453 128 V N 4.188 124.061 119.914 -0.068 0.000 2.479 128 V HA 0.053 4.182 4.120 0.016 0.000 0.281 128 V C 0.917 176.955 176.094 -0.094 0.000 1.031 128 V CA 0.007 62.199 62.300 -0.180 0.000 1.038 128 V CB 0.710 32.236 31.823 -0.495 0.000 0.981 128 V HN 0.521 nan 8.190 nan 0.000 0.478 129 L N 2.952 124.161 121.223 -0.023 0.000 3.246 129 L HA -0.324 4.026 4.340 0.016 0.000 0.368 129 L C 1.699 178.496 176.870 -0.123 0.000 3.893 129 L CA 2.451 57.279 54.840 -0.021 0.000 1.714 129 L CB -1.804 40.256 42.059 0.001 0.000 3.108 129 L HN 0.726 nan 8.230 nan 0.000 0.819 130 N N -1.291 117.267 118.700 -0.236 0.000 2.205 130 N HA -0.100 4.649 4.740 0.016 0.000 0.186 130 N C 1.262 176.128 175.510 -1.074 0.000 1.015 130 N CA 1.998 54.673 53.050 -0.625 0.000 0.862 130 N CB -0.152 37.916 38.487 -0.699 0.000 0.986 130 N HN 0.559 nan 8.380 nan 0.000 0.429 131 F N -1.093 118.845 119.950 -0.019 0.000 2.455 131 F HA 0.273 4.809 4.527 0.016 0.000 0.278 131 F C 0.058 175.821 175.800 -0.061 0.000 0.887 131 F CA -0.722 57.271 58.000 -0.012 0.000 1.104 131 F CB -0.350 38.684 39.000 0.057 0.000 0.949 131 F HN -0.268 nan 8.300 nan 0.000 0.750 132 N N 3.987 122.712 118.700 0.040 0.000 2.438 132 N HA 0.186 4.935 4.740 0.016 0.000 0.267 132 N C -2.640 172.656 175.510 -0.358 0.000 1.222 132 N CA -0.969 51.932 53.050 -0.248 0.000 0.930 132 N CB 0.040 38.459 38.487 -0.113 0.000 1.083 132 N HN 0.059 nan 8.380 nan 0.000 0.476 133 P HA 0.484 nan 4.420 nan 0.000 0.287 133 P C -1.074 176.106 177.300 -0.201 0.000 1.292 133 P CA -0.762 62.150 63.100 -0.313 0.000 0.879 133 P CB 0.944 32.473 31.700 -0.285 0.000 1.214 134 F N -0.580 119.336 119.950 -0.057 0.000 2.598 134 F HA 0.851 5.388 4.527 0.016 0.000 0.327 134 F C -0.858 174.972 175.800 0.049 0.000 1.057 134 F CA -1.480 56.559 58.000 0.066 0.000 0.957 134 F CB 1.689 40.753 39.000 0.106 0.000 1.278 134 F HN 0.160 nan 8.300 nan 0.000 0.484 135 M N 2.182 121.856 119.600 0.124 0.000 2.378 135 M HA 0.820 5.310 4.480 0.016 0.000 0.289 135 M C -1.570 174.849 176.300 0.199 0.000 1.136 135 M CA -1.109 54.097 55.300 -0.158 0.000 0.917 135 M CB 1.993 34.223 32.600 -0.617 0.000 1.669 135 M HN 0.867 nan 8.290 nan 0.000 0.461 136 A N 2.621 125.617 122.820 0.293 0.000 2.301 136 A HA 0.817 5.147 4.320 0.016 0.000 0.312 136 A C -0.959 176.850 177.584 0.375 0.000 1.182 136 A CA -0.457 51.810 52.037 0.383 0.000 0.826 136 A CB 0.356 19.591 19.000 0.392 0.000 1.134 136 A HN 0.719 nan 8.150 nan 0.000 0.501 137 F N 1.383 121.600 119.950 0.444 0.000 2.450 137 F HA 0.138 4.674 4.527 0.016 0.000 0.339 137 F C 1.125 177.014 175.800 0.148 0.000 1.146 137 F CA 0.628 58.771 58.000 0.238 0.000 1.267 137 F CB 0.640 39.689 39.000 0.082 0.000 1.178 137 F HN 0.674 nan 8.300 nan 0.000 0.585 138 N N 2.308 121.157 118.700 0.248 0.000 2.399 138 N HA 0.207 4.957 4.740 0.016 0.000 0.250 138 N C -2.463 173.270 175.510 0.372 0.000 1.272 138 N CA -0.908 52.284 53.050 0.237 0.000 0.928 138 N CB 0.095 38.664 38.487 0.138 0.000 1.158 138 N HN 0.247 nan 8.380 nan 0.000 0.463 139 P HA 0.003 nan 4.420 nan 0.000 0.274 139 P C -0.733 176.706 177.300 0.233 0.000 1.260 139 P CA -0.205 63.026 63.100 0.218 0.000 0.793 139 P CB 0.404 32.192 31.700 0.147 0.000 1.048 140 D N 0.282 120.742 120.400 0.100 0.000 2.414 140 D HA 0.019 4.669 4.640 0.016 0.000 0.242 140 D C -1.437 174.889 176.300 0.042 0.000 1.129 140 D CA -1.380 52.618 54.000 -0.004 0.000 0.885 140 D CB 0.505 41.274 40.800 -0.051 0.000 1.198 140 D HN 0.096 nan 8.370 nan 0.000 0.437 141 P HA -0.097 nan 4.420 nan 0.000 0.218 141 P C -0.304 177.010 177.300 0.022 0.000 1.148 141 P CA 1.238 64.356 63.100 0.029 0.000 0.822 141 P CB 0.211 31.916 31.700 0.010 0.000 0.784 142 K N 0.092 120.491 120.400 -0.002 0.000 2.292 142 K HA 0.182 4.512 4.320 0.016 0.000 0.290 142 K C 1.190 177.871 176.600 0.134 0.000 1.083 142 K CA -0.102 56.219 56.287 0.057 0.000 0.918 142 K CB 0.349 32.864 32.500 0.025 0.000 1.089 142 K HN -0.007 nan 8.250 nan 0.000 0.473 143 S N 2.670 118.431 115.700 0.101 0.000 2.378 143 S HA -0.252 4.228 4.470 0.016 0.000 0.229 143 S C 1.475 176.130 174.600 0.093 0.000 1.052 143 S CA 1.392 59.643 58.200 0.085 0.000 1.084 143 S CB -0.156 63.079 63.200 0.057 0.000 0.950 143 S HN 0.650 nan 8.310 nan 0.000 0.440 144 E N -0.139 120.118 120.200 0.095 0.000 2.209 144 E HA -0.158 4.201 4.350 0.016 0.000 0.196 144 E C 1.323 177.904 176.600 -0.032 0.000 0.993 144 E CA 1.015 57.423 56.400 0.013 0.000 0.819 144 E CB -0.206 29.469 29.700 -0.042 0.000 0.745 144 E HN 0.662 nan 8.360 nan 0.000 0.477 145 Y N 0.206 120.496 120.300 -0.016 0.000 2.529 145 Y HA 0.037 4.597 4.550 0.017 0.000 0.290 145 Y C 1.428 177.314 175.900 -0.024 0.000 1.177 145 Y CA 0.285 58.369 58.100 -0.027 0.000 1.305 145 Y CB 0.268 38.702 38.460 -0.044 0.000 1.047 145 Y HN -0.029 nan 8.280 nan 0.000 0.522 146 N N 0.427 119.190 118.700 0.106 0.000 2.314 146 N HA -0.071 4.679 4.740 0.016 0.000 0.200 146 N C -0.139 175.392 175.510 0.035 0.000 1.135 146 N CA 0.248 53.339 53.050 0.068 0.000 0.835 146 N CB -0.131 38.399 38.487 0.071 0.000 0.989 146 N HN 0.409 nan 8.380 nan 0.000 0.478 147 D N 0.992 121.399 120.400 0.012 0.000 2.424 147 D HA -0.072 4.577 4.640 0.016 0.000 0.244 147 D C 1.037 177.338 176.300 0.002 0.000 1.134 147 D CA 0.020 54.017 54.000 -0.005 0.000 0.881 147 D CB 1.538 42.316 40.800 -0.037 0.000 1.191 147 D HN 0.129 nan 8.370 nan 0.000 0.445 148 Q N 2.750 122.553 119.800 0.005 0.000 2.002 148 Q HA -0.231 4.118 4.340 0.016 0.000 0.204 148 Q C 2.117 178.126 176.000 0.015 0.000 0.988 148 Q CA 1.519 57.329 55.803 0.011 0.000 0.843 148 Q CB -0.163 28.580 28.738 0.008 0.000 0.908 148 Q HN 0.635 nan 8.270 nan 0.000 0.420 149 L N 0.659 121.886 121.223 0.006 0.000 1.990 149 L HA -0.234 4.116 4.340 0.016 0.000 0.213 149 L C 2.217 179.090 176.870 0.006 0.000 1.072 149 L CA 2.666 57.511 54.840 0.007 0.000 0.755 149 L CB -1.039 41.016 42.059 -0.008 0.000 0.889 149 L HN 0.347 nan 8.230 nan 0.000 0.432 150 T N -0.580 113.965 114.554 -0.015 0.000 2.580 150 T HA -0.314 4.046 4.350 0.016 0.000 0.265 150 T C 2.000 176.712 174.700 0.020 0.000 1.063 150 T CA 2.043 64.132 62.100 -0.019 0.000 1.170 150 T CB -0.418 68.409 68.868 -0.068 0.000 0.863 150 T HN 0.341 nan 8.240 nan 0.000 0.418 151 R N 0.881 121.396 120.500 0.024 0.000 2.081 151 R HA -0.008 4.341 4.340 0.016 0.000 0.235 151 R C 2.661 178.976 176.300 0.025 0.000 1.131 151 R CA 1.317 57.430 56.100 0.023 0.000 0.960 151 R CB -0.529 29.780 30.300 0.016 0.000 0.856 151 R HN 0.401 nan 8.270 nan 0.000 0.436 152 A N -0.326 122.522 122.820 0.047 0.000 1.978 152 A HA -0.148 4.182 4.320 0.016 0.000 0.220 152 A C 2.070 179.718 177.584 0.107 0.000 1.170 152 A CA 2.044 54.131 52.037 0.084 0.000 0.636 152 A CB -0.698 18.357 19.000 0.090 0.000 0.810 152 A HN 0.459 nan 8.150 nan 0.000 0.448 153 T N 0.287 114.891 114.554 0.083 0.000 2.770 153 T HA -0.109 4.251 4.350 0.016 0.000 0.263 153 T C 1.728 176.479 174.700 0.085 0.000 1.039 153 T CA 1.598 63.754 62.100 0.092 0.000 1.142 153 T CB -0.500 68.403 68.868 0.058 0.000 0.868 153 T HN 0.706 nan 8.240 nan 0.000 0.435 154 N N 0.982 119.713 118.700 0.052 0.000 2.166 154 N HA 0.054 4.804 4.740 0.016 0.000 0.186 154 N C 1.789 177.305 175.510 0.011 0.000 1.019 154 N CA 0.696 53.763 53.050 0.028 0.000 0.856 154 N CB -0.256 38.239 38.487 0.012 0.000 0.993 154 N HN 0.232 nan 8.380 nan 0.000 0.426 155 L N 0.196 121.422 121.223 0.004 0.000 2.109 155 L HA -0.090 4.260 4.340 0.016 0.000 0.207 155 L C 2.099 179.044 176.870 0.124 0.000 1.086 155 L CA 0.978 55.806 54.840 -0.019 0.000 0.760 155 L CB -0.496 41.531 42.059 -0.055 0.000 0.910 155 L HN 0.225 nan 8.230 nan 0.000 0.437 156 T N -0.579 114.102 114.554 0.212 0.000 2.788 156 T HA -0.141 4.219 4.350 0.016 0.000 0.268 156 T C 1.909 176.791 174.700 0.303 0.000 1.044 156 T CA 1.233 63.553 62.100 0.366 0.000 1.139 156 T CB -0.039 69.012 68.868 0.305 0.000 0.867 156 T HN 0.076 nan 8.240 nan 0.000 0.454 157 V N 1.050 121.071 119.914 0.178 0.000 2.488 157 V HA -0.071 4.059 4.120 0.016 0.000 0.246 157 V C 2.605 178.768 176.094 0.116 0.000 1.046 157 V CA 1.369 63.748 62.300 0.133 0.000 1.053 157 V CB -0.524 31.350 31.823 0.084 0.000 0.679 157 V HN 0.403 nan 8.190 nan 0.000 0.458 158 S N 0.864 116.616 115.700 0.087 0.000 2.368 158 S HA -0.128 4.352 4.470 0.016 0.000 0.224 158 S C 2.289 176.979 174.600 0.151 0.000 1.029 158 S CA 1.356 59.597 58.200 0.068 0.000 0.988 158 S CB -0.507 62.679 63.200 -0.023 0.000 0.838 158 S HN 0.621 nan 8.310 nan 0.000 0.462 159 A N 1.221 124.152 122.820 0.186 0.000 1.908 159 A HA -0.081 4.249 4.320 0.016 0.000 0.218 159 A C 2.340 180.147 177.584 0.372 0.000 1.181 159 A CA 1.691 53.957 52.037 0.382 0.000 0.627 159 A CB -0.904 18.337 19.000 0.402 0.000 0.818 159 A HN 0.354 nan 8.150 nan 0.000 0.445 160 V N -0.003 120.082 119.914 0.284 0.000 2.379 160 V HA -0.220 3.910 4.120 0.016 0.000 0.245 160 V C 2.570 178.717 176.094 0.087 0.000 1.044 160 V CA 1.912 64.296 62.300 0.141 0.000 1.036 160 V CB -0.811 31.096 31.823 0.140 0.000 0.664 160 V HN 0.538 nan 8.190 nan 0.000 0.453 161 R N -0.511 120.055 120.500 0.110 0.000 2.096 161 R HA -0.241 4.109 4.340 0.016 0.000 0.240 161 R C 2.276 178.666 176.300 0.150 0.000 1.139 161 R CA 2.271 58.415 56.100 0.074 0.000 0.952 161 R CB -0.750 29.584 30.300 0.058 0.000 0.854 161 R HN 0.537 nan 8.270 nan 0.000 0.436 162 F N 1.762 121.772 119.950 0.100 0.000 2.102 162 F HA -0.195 4.342 4.527 0.016 0.000 0.298 162 F C 2.290 178.194 175.800 0.172 0.000 1.105 162 F CA 1.276 59.393 58.000 0.193 0.000 1.239 162 F CB -0.184 39.039 39.000 0.372 0.000 0.991 162 F HN -0.037 nan 8.300 nan 0.000 0.474 163 L N 0.787 122.196 121.223 0.310 0.000 1.990 163 L HA -0.300 4.050 4.340 0.016 0.000 0.213 163 L C 2.439 179.355 176.870 0.077 0.000 1.072 163 L CA 1.864 56.673 54.840 -0.052 0.000 0.755 163 L CB -0.634 41.008 42.059 -0.695 0.000 0.889 163 L HN 0.173 nan 8.230 nan 0.000 0.432 164 K N -0.295 120.143 120.400 0.063 0.000 2.020 164 K HA -0.216 4.114 4.320 0.016 0.000 0.212 164 K C 1.979 178.723 176.600 0.239 0.000 1.050 164 K CA 2.289 58.653 56.287 0.130 0.000 0.929 164 K CB -0.867 31.656 32.500 0.039 0.000 0.714 164 K HN 0.618 nan 8.250 nan 0.000 0.443 165 T N -0.019 114.651 114.554 0.193 0.000 2.951 165 T HA -0.067 4.293 4.350 0.016 0.000 0.268 165 T C 2.010 176.657 174.700 -0.088 0.000 1.073 165 T CA 0.700 62.850 62.100 0.083 0.000 1.134 165 T CB -0.236 68.611 68.868 -0.036 0.000 0.884 165 T HN 0.189 nan 8.240 nan 0.000 0.479 166 L N -0.069 121.115 121.223 -0.065 0.000 2.056 166 L HA -0.014 4.336 4.340 0.016 0.000 0.207 166 L C 2.903 179.802 176.870 0.048 0.000 1.078 166 L CA 1.393 56.227 54.840 -0.010 0.000 0.749 166 L CB -0.353 41.840 42.059 0.224 0.000 0.901 166 L HN 0.279 nan 8.230 nan 0.000 0.433 167 Q N -0.631 119.220 119.800 0.085 0.000 2.172 167 Q HA -0.079 4.271 4.340 0.016 0.000 0.200 167 Q C 2.075 178.096 176.000 0.034 0.000 0.964 167 Q CA 1.140 56.996 55.803 0.088 0.000 0.855 167 Q CB -0.020 28.785 28.738 0.110 0.000 0.918 167 Q HN 0.679 nan 8.270 nan 0.000 0.444 168 A N -0.108 122.705 122.820 -0.012 0.000 2.206 168 A HA 0.188 4.517 4.320 0.016 0.000 0.211 168 A C 1.414 178.908 177.584 -0.150 0.000 1.158 168 A CA 0.860 52.822 52.037 -0.124 0.000 0.761 168 A CB -0.357 18.418 19.000 -0.375 0.000 0.801 168 A HN 0.448 nan 8.150 nan 0.000 0.473 169 G N -1.330 107.404 108.800 -0.110 0.000 2.176 169 G HA2 -0.225 3.745 3.960 0.016 0.000 0.252 169 G HA3 -0.225 3.745 3.960 0.016 0.000 0.252 169 G C 0.407 175.213 174.900 -0.156 0.000 1.024 169 G CA 0.518 45.553 45.100 -0.108 0.000 0.755 169 G HN 0.538 nan 8.290 nan 0.000 0.507 170 L N -1.108 119.991 121.223 -0.207 0.000 2.766 170 L HA 0.449 4.799 4.340 0.016 0.000 0.242 170 L C 1.069 177.818 176.870 -0.202 0.000 1.136 170 L CA -0.460 54.240 54.840 -0.234 0.000 0.933 170 L CB 0.428 42.260 42.059 -0.378 0.000 1.241 170 L HN 0.269 nan 8.230 nan 0.000 0.522 171 L N 0.918 122.025 121.223 -0.193 0.000 2.349 171 L HA 0.150 4.500 4.340 0.016 0.000 0.275 171 L C 0.609 177.416 176.870 -0.106 0.000 1.115 171 L CA 0.191 54.920 54.840 -0.185 0.000 0.820 171 L CB 0.547 42.446 42.059 -0.268 0.000 1.135 171 L HN 0.026 nan 8.230 nan 0.000 0.445 172 E N 6.646 126.814 120.200 -0.053 0.000 2.415 172 E HA 0.082 4.442 4.350 0.016 0.000 0.260 172 E C -2.091 174.526 176.600 0.029 0.000 1.016 172 E CA -1.543 54.859 56.400 0.003 0.000 0.924 172 E CB 0.059 29.788 29.700 0.048 0.000 0.961 172 E HN 0.417 nan 8.360 nan 0.000 0.459 173 P HA -0.140 nan 4.420 nan 0.000 0.265 173 P C -0.181 177.192 177.300 0.122 0.000 1.167 173 P CA 0.572 63.743 63.100 0.118 0.000 0.760 173 P CB 0.453 32.321 31.700 0.280 0.000 0.783 174 E N 1.737 121.997 120.200 0.099 0.000 2.366 174 E HA 0.195 4.555 4.350 0.016 0.000 0.266 174 E C -0.369 176.273 176.600 0.070 0.000 1.015 174 E CA 0.065 56.529 56.400 0.107 0.000 0.906 174 E CB 0.329 30.116 29.700 0.145 0.000 0.979 174 E HN 0.095 nan 8.360 nan 0.000 0.443 175 V N 4.541 124.447 119.914 -0.013 0.000 2.733 175 V HA 0.246 4.375 4.120 0.016 0.000 0.306 175 V C -0.622 175.327 176.094 -0.242 0.000 1.084 175 V CA -0.963 61.229 62.300 -0.180 0.000 0.905 175 V CB 1.674 33.268 31.823 -0.382 0.000 1.010 175 V HN 0.500 nan 8.190 nan 0.000 0.424 176 F N 4.202 124.016 119.950 -0.225 0.000 2.404 176 F HA 0.498 5.035 4.527 0.016 0.000 0.359 176 F C 0.427 176.156 175.800 -0.117 0.000 1.134 176 F CA -0.073 57.846 58.000 -0.136 0.000 1.160 176 F CB 0.164 39.152 39.000 -0.021 0.000 1.186 176 F HN 0.568 nan 8.300 nan 0.000 0.526 177 H N 6.589 125.393 119.070 -0.444 0.000 2.594 177 H HA 0.259 4.825 4.556 0.016 0.000 0.304 177 H C 0.955 175.992 175.328 -0.485 0.000 1.068 177 H CA -0.549 55.286 56.048 -0.355 0.000 1.308 177 H CB 1.410 31.020 29.762 -0.253 0.000 1.409 177 H HN 0.687 nan 8.280 nan 0.000 0.460 178 L N 2.242 123.374 121.223 -0.151 0.000 2.179 178 L HA -0.040 4.310 4.340 0.016 0.000 0.208 178 L C 0.666 177.469 176.870 -0.112 0.000 1.096 178 L CA 1.044 55.809 54.840 -0.125 0.000 0.779 178 L CB 0.060 42.128 42.059 0.015 0.000 0.922 178 L HN 0.629 nan 8.230 nan 0.000 0.443 179 N N -0.777 117.854 118.700 -0.115 0.000 2.844 179 N HA 0.160 4.910 4.740 0.016 0.000 0.268 179 N C -2.049 173.344 175.510 -0.195 0.000 1.574 179 N CA -1.295 51.672 53.050 -0.138 0.000 0.838 179 N CB 1.038 39.442 38.487 -0.139 0.000 1.177 179 N HN -0.156 nan 8.380 nan 0.000 0.495 180 P HA -0.164 nan 4.420 nan 0.000 0.215 180 P C 1.171 178.310 177.300 -0.269 0.000 1.153 180 P CA 1.206 64.125 63.100 -0.301 0.000 0.853 180 P CB 0.143 31.740 31.700 -0.171 0.000 0.788 181 S N -1.087 114.512 115.700 -0.168 0.000 2.500 181 S HA -0.124 4.356 4.470 0.016 0.000 0.239 181 S C 1.847 176.363 174.600 -0.140 0.000 0.989 181 S CA 0.994 59.116 58.200 -0.130 0.000 0.951 181 S CB -0.713 62.435 63.200 -0.087 0.000 0.759 181 S HN 0.193 nan 8.310 nan 0.000 0.523 182 K N 1.522 121.812 120.400 -0.184 0.000 2.121 182 K HA 0.054 4.383 4.320 0.016 0.000 0.203 182 K C 2.041 178.483 176.600 -0.264 0.000 1.041 182 K CA 1.147 57.318 56.287 -0.193 0.000 0.969 182 K CB -0.021 32.361 32.500 -0.197 0.000 0.799 182 K HN 0.481 nan 8.250 nan 0.000 0.456 183 S N -0.683 114.778 115.700 -0.399 0.000 2.502 183 S HA 0.032 4.512 4.470 0.016 0.000 0.215 183 S C 0.520 174.890 174.600 -0.383 0.000 1.009 183 S CA -0.030 57.827 58.200 -0.571 0.000 0.908 183 S CB 0.256 63.033 63.200 -0.705 0.000 0.801 183 S HN 0.175 nan 8.310 nan 0.000 0.505 184 D N 3.177 123.274 120.400 -0.506 0.000 3.057 184 D HA 0.274 4.924 4.640 0.016 0.000 0.246 184 D C -0.395 175.838 176.300 -0.112 0.000 1.238 184 D CA 0.103 53.901 54.000 -0.335 0.000 0.949 184 D CB -0.124 40.387 40.800 -0.482 0.000 1.086 184 D HN 0.501 nan 8.370 nan 0.000 0.487 185 T N -2.549 111.996 114.554 -0.016 0.000 2.916 185 T HA 0.228 4.588 4.350 0.016 0.000 0.298 185 T C 0.894 175.631 174.700 0.062 0.000 1.031 185 T CA -0.931 61.178 62.100 0.014 0.000 0.993 185 T CB 1.786 70.658 68.868 0.007 0.000 1.045 185 T HN -0.198 nan 8.240 nan 0.000 0.454 186 D N 1.926 122.345 120.400 0.031 0.000 2.191 186 D HA -0.224 4.426 4.640 0.016 0.000 0.195 186 D C 2.265 178.581 176.300 0.027 0.000 1.003 186 D CA 1.908 55.919 54.000 0.019 0.000 0.867 186 D CB -0.502 40.301 40.800 0.006 0.000 0.926 186 D HN 0.802 nan 8.370 nan 0.000 0.450 187 A N 0.768 123.617 122.820 0.050 0.000 1.865 187 A HA -0.205 4.124 4.320 0.016 0.000 0.217 187 A C 2.131 179.771 177.584 0.094 0.000 1.191 187 A CA 1.421 53.495 52.037 0.062 0.000 0.623 187 A CB -1.071 17.966 19.000 0.062 0.000 0.826 187 A HN 0.271 nan 8.150 nan 0.000 0.444 188 F N 0.618 120.556 119.950 -0.019 0.000 2.186 188 F HA -0.072 4.466 4.527 0.017 0.000 0.299 188 F C 2.064 177.857 175.800 -0.011 0.000 1.090 188 F CA 1.899 59.892 58.000 -0.011 0.000 1.307 188 F CB -0.148 38.838 39.000 -0.023 0.000 1.019 188 F HN 0.140 nan 8.300 nan 0.000 0.489 189 K N -0.056 120.287 120.400 -0.094 0.000 2.025 189 K HA -0.159 4.171 4.320 0.016 0.000 0.207 189 K C 2.183 178.616 176.600 -0.278 0.000 1.049 189 K CA 1.324 57.485 56.287 -0.211 0.000 0.933 189 K CB -0.309 32.149 32.500 -0.071 0.000 0.714 189 K HN 0.080 nan 8.250 nan 0.000 0.438 190 R N 0.689 121.090 120.500 -0.166 0.000 2.261 190 R HA -0.110 4.239 4.340 0.016 0.000 0.236 190 R C 1.843 178.064 176.300 -0.133 0.000 1.141 190 R CA 0.969 56.986 56.100 -0.138 0.000 1.001 190 R CB 0.002 30.289 30.300 -0.022 0.000 0.866 190 R HN 0.190 nan 8.270 nan 0.000 0.468 191 L N -1.743 119.378 121.223 -0.169 0.000 2.515 191 L HA 0.180 4.530 4.340 0.016 0.000 0.202 191 L C 1.609 178.384 176.870 -0.159 0.000 1.056 191 L CA 0.196 55.011 54.840 -0.042 0.000 0.847 191 L CB -0.064 41.977 42.059 -0.031 0.000 1.131 191 L HN 0.061 nan 8.230 nan 0.000 0.484 192 I N 0.789 121.089 120.570 -0.451 0.000 2.567 192 I HA -0.248 3.932 4.170 0.016 0.000 0.257 192 I C 2.573 178.499 176.117 -0.318 0.000 1.184 192 I CA 1.234 62.293 61.300 -0.400 0.000 1.451 192 I CB -0.277 37.334 38.000 -0.648 0.000 1.089 192 I HN 0.284 nan 8.210 nan 0.000 0.441 193 R N -0.473 119.714 120.500 -0.521 0.000 2.193 193 R HA -0.148 4.202 4.340 0.016 0.000 0.229 193 R C 1.410 177.408 176.300 -0.503 0.000 1.110 193 R CA 1.632 57.316 56.100 -0.694 0.000 0.988 193 R CB -0.834 28.983 30.300 -0.805 0.000 0.871 193 R HN 0.280 nan 8.270 nan 0.000 0.458 194 F N 1.130 121.036 119.950 -0.073 0.000 2.754 194 F HA 0.221 4.758 4.527 0.016 0.000 0.297 194 F C 0.480 176.301 175.800 0.036 0.000 1.122 194 F CA -0.465 57.527 58.000 -0.014 0.000 1.400 194 F CB 0.392 39.377 39.000 -0.026 0.000 1.117 194 F HN -0.232 nan 8.300 nan 0.000 0.587 195 V N 2.510 122.543 119.914 0.198 0.000 2.508 195 V HA 0.150 4.279 4.120 0.016 0.000 0.281 195 V C -2.045 174.124 176.094 0.125 0.000 1.041 195 V CA -2.082 60.321 62.300 0.170 0.000 1.016 195 V CB 0.156 32.077 31.823 0.163 0.000 0.984 195 V HN -0.127 nan 8.190 nan 0.000 0.478 196 P HA 0.128 nan 4.420 nan 0.000 0.265 196 P C -2.025 175.207 177.300 -0.113 0.000 1.193 196 P CA -1.082 62.019 63.100 0.001 0.000 0.765 196 P CB 0.070 31.791 31.700 0.034 0.000 0.823 197 P HA -0.252 nan 4.420 nan 0.000 0.218 197 P C 1.397 178.631 177.300 -0.110 0.000 1.150 197 P CA 1.928 64.832 63.100 -0.326 0.000 0.841 197 P CB -0.283 31.272 31.700 -0.241 0.000 0.784 198 S N -2.154 113.528 115.700 -0.028 0.000 2.555 198 S HA -0.002 4.477 4.470 0.016 0.000 0.230 198 S C 1.404 176.088 174.600 0.141 0.000 0.978 198 S CA 0.732 58.959 58.200 0.044 0.000 0.934 198 S CB -0.957 62.271 63.200 0.047 0.000 0.766 198 S HN 0.126 nan 8.310 nan 0.000 0.533 199 L N 1.049 122.367 121.223 0.157 0.000 3.039 199 L HA 0.238 4.588 4.340 0.016 0.000 0.269 199 L C 2.299 179.358 176.870 0.315 0.000 1.169 199 L CA 0.528 55.573 54.840 0.342 0.000 0.986 199 L CB 0.017 42.253 42.059 0.295 0.000 1.377 199 L HN 0.379 nan 8.230 nan 0.000 0.575 200 S N -0.078 115.714 115.700 0.154 0.000 2.400 200 S HA -0.270 4.210 4.470 0.016 0.000 0.232 200 S C 1.621 176.453 174.600 0.387 0.000 1.025 200 S CA 1.069 59.391 58.200 0.204 0.000 0.993 200 S CB -0.734 62.413 63.200 -0.088 0.000 0.808 200 S HN 0.630 nan 8.310 nan 0.000 0.478 201 W N 1.810 123.145 121.300 0.058 0.000 2.374 201 W HA -0.099 4.571 4.660 0.017 0.000 0.288 201 W C 1.525 177.934 176.519 -0.183 0.000 1.218 201 W CA 1.227 58.499 57.345 -0.122 0.000 1.245 201 W CB -0.383 28.876 29.460 -0.334 0.000 1.126 201 W HN 0.342 nan 8.180 nan 0.000 0.545 202 Y N -0.219 120.241 120.300 0.267 0.000 2.274 202 Y HA -0.025 4.535 4.550 0.016 0.000 0.290 202 Y C 2.624 178.556 175.900 0.054 0.000 1.145 202 Y CA 1.402 59.586 58.100 0.140 0.000 1.203 202 Y CB -1.409 37.189 38.460 0.230 0.000 0.984 202 Y HN 0.020 nan 8.280 nan 0.000 0.533 203 G N -0.430 108.510 108.800 0.233 0.000 2.403 203 G HA2 -0.123 3.846 3.960 0.016 0.000 0.216 203 G HA3 -0.123 3.846 3.960 0.016 0.000 0.216 203 G C 1.863 176.909 174.900 0.244 0.000 1.154 203 G CA 0.794 46.038 45.100 0.239 0.000 0.784 203 G HN 0.463 nan 8.290 nan 0.000 0.538 204 A N -0.379 122.518 122.820 0.129 0.000 2.016 204 A HA 0.131 4.461 4.320 0.016 0.000 0.217 204 A C 2.102 179.417 177.584 -0.447 0.000 1.162 204 A CA 1.336 53.322 52.037 -0.084 0.000 0.662 204 A CB -0.486 18.341 19.000 -0.288 0.000 0.812 204 A HN 0.396 nan 8.150 nan 0.000 0.450 205 Y N 1.113 120.947 120.300 -0.776 0.000 2.089 205 Y HA -0.160 4.400 4.550 0.016 0.000 0.282 205 Y C 1.802 177.416 175.900 -0.478 0.000 1.139 205 Y CA 1.784 59.336 58.100 -0.913 0.000 1.123 205 Y CB -0.728 37.097 38.460 -1.058 0.000 0.980 205 Y HN 0.207 nan 8.280 nan 0.000 0.493 206 L N 0.284 121.252 121.223 -0.426 0.000 2.351 206 L HA -0.154 4.196 4.340 0.016 0.000 0.220 206 L C 1.800 178.470 176.870 -0.333 0.000 1.127 206 L CA 1.172 55.776 54.840 -0.394 0.000 0.786 206 L CB -0.824 41.141 42.059 -0.157 0.000 0.914 206 L HN 0.324 nan 8.230 nan 0.000 0.443 207 V N -4.704 115.003 119.914 -0.345 0.000 3.444 207 V HA 0.263 4.393 4.120 0.016 0.000 0.308 207 V C 0.833 176.716 176.094 -0.351 0.000 1.371 207 V CA -0.310 61.777 62.300 -0.355 0.000 1.141 207 V CB -0.433 31.080 31.823 -0.516 0.000 1.037 207 V HN 0.572 nan 8.190 nan 0.000 0.433 208 N N 0.540 119.011 118.700 -0.383 0.000 2.776 208 N HA -0.152 4.598 4.740 0.016 0.000 0.250 208 N C 0.200 175.553 175.510 -0.262 0.000 1.112 208 N CA 1.019 53.903 53.050 -0.276 0.000 0.733 208 N CB -1.025 37.383 38.487 -0.132 0.000 1.097 208 N HN 0.998 nan 8.380 nan 0.000 0.558 209 A N 0.202 122.743 122.820 -0.463 0.000 2.337 209 A HA 0.708 5.037 4.320 0.016 0.000 0.329 209 A C -0.937 176.261 177.584 -0.643 0.000 1.146 209 A CA -0.362 51.474 52.037 -0.336 0.000 0.800 209 A CB 0.841 19.738 19.000 -0.172 0.000 1.220 209 A HN 0.220 nan 8.150 nan 0.000 0.472 210 Y N 2.273 122.495 120.300 -0.131 0.000 2.555 210 Y HA 0.358 4.917 4.550 0.016 0.000 0.326 210 Y C -2.406 173.446 175.900 -0.080 0.000 0.984 210 Y CA -2.229 55.836 58.100 -0.059 0.000 1.298 210 Y CB 1.269 39.786 38.460 0.095 0.000 1.094 210 Y HN 0.480 nan 8.280 nan 0.000 0.500 211 P HA 0.089 nan 4.420 nan 0.000 0.269 211 P C -0.531 176.831 177.300 0.104 0.000 1.209 211 P CA 0.234 63.286 63.100 -0.081 0.000 0.776 211 P CB 0.906 32.413 31.700 -0.321 0.000 0.876 212 L N 1.224 122.511 121.223 0.106 0.000 2.333 212 L HA 0.406 4.756 4.340 0.016 0.000 0.269 212 L C 0.722 177.680 176.870 0.146 0.000 1.010 212 L CA -1.060 53.849 54.840 0.114 0.000 0.818 212 L CB 1.256 43.388 42.059 0.121 0.000 1.306 212 L HN 0.337 nan 8.230 nan 0.000 0.430 213 D N 2.087 122.571 120.400 0.140 0.000 2.525 213 D HA 0.009 4.659 4.640 0.016 0.000 0.235 213 D C -0.151 176.323 176.300 0.290 0.000 1.137 213 D CA 0.757 54.872 54.000 0.192 0.000 0.868 213 D CB 0.847 41.761 40.800 0.190 0.000 1.180 213 D HN 0.458 nan 8.370 nan 0.000 0.465 214 M N 2.419 122.211 119.600 0.319 0.000 3.017 214 M HA -0.025 4.465 4.480 0.016 0.000 0.423 214 M C 1.211 177.834 176.300 0.539 0.000 1.395 214 M CA -0.336 55.225 55.300 0.437 0.000 0.816 214 M CB 0.778 33.407 32.600 0.047 0.000 1.440 214 M HN 0.300 nan 8.290 nan 0.000 0.506 215 S N -0.905 115.081 115.700 0.476 0.000 2.458 215 S HA -0.022 4.457 4.470 0.016 0.000 0.223 215 S C 1.499 176.411 174.600 0.520 0.000 1.019 215 S CA 0.312 58.791 58.200 0.464 0.000 0.937 215 S CB -0.153 63.307 63.200 0.433 0.000 0.788 215 S HN 0.530 nan 8.310 nan 0.000 0.511 216 Q N 0.088 120.157 119.800 0.449 0.000 2.248 216 Q HA -0.145 4.205 4.340 0.016 0.000 0.208 216 Q C 1.369 177.586 176.000 0.363 0.000 0.984 216 Q CA 1.565 57.600 55.803 0.387 0.000 0.875 216 Q CB -0.557 28.297 28.738 0.193 0.000 0.910 216 Q HN 0.724 nan 8.270 nan 0.000 0.433 217 Y N -0.318 120.177 120.300 0.324 0.000 2.352 217 Y HA -0.198 4.361 4.550 0.016 0.000 0.292 217 Y C 1.966 177.976 175.900 0.184 0.000 1.136 217 Y CA 1.031 59.283 58.100 0.253 0.000 1.227 217 Y CB -0.439 38.198 38.460 0.295 0.000 0.991 217 Y HN 0.257 nan 8.280 nan 0.000 0.545 218 F N 0.736 120.856 119.950 0.284 0.000 2.333 218 F HA -0.067 4.470 4.527 0.016 0.000 0.300 218 F C 1.563 177.387 175.800 0.042 0.000 1.083 218 F CA 1.145 59.248 58.000 0.171 0.000 1.395 218 F CB -0.292 38.795 39.000 0.145 0.000 1.056 218 F HN -0.194 nan 8.300 nan 0.000 0.529 219 R N 0.396 120.424 120.500 -0.786 0.000 2.388 219 R HA 0.133 4.483 4.340 0.016 0.000 0.247 219 R C 1.526 177.168 176.300 -1.095 0.000 0.931 219 R CA -0.038 55.478 56.100 -0.973 0.000 1.082 219 R CB -0.068 29.781 30.300 -0.752 0.000 1.135 219 R HN 0.328 nan 8.270 nan 0.000 0.525 220 L N 0.011 120.706 121.223 -0.879 0.000 2.240 220 L HA 0.158 4.508 4.340 0.016 0.000 0.211 220 L C -0.304 175.934 176.870 -1.052 0.000 1.106 220 L CA 1.609 55.754 54.840 -1.158 0.000 0.793 220 L CB 0.165 41.618 42.059 -1.010 0.000 0.927 220 L HN -0.146 nan 8.230 nan 0.000 0.446 221 F N -0.978 118.813 119.950 -0.264 0.000 2.588 221 F HA 0.359 4.895 4.527 0.016 0.000 0.314 221 F C 0.875 176.574 175.800 -0.168 0.000 1.069 221 F CA -1.358 56.574 58.000 -0.114 0.000 0.931 221 F CB 0.749 39.771 39.000 0.037 0.000 1.260 221 F HN -0.110 nan 8.300 nan 0.000 0.465 222 N N 0.367 119.101 118.700 0.057 0.000 2.735 222 N HA -0.178 4.572 4.740 0.016 0.000 0.248 222 N C -1.241 174.216 175.510 -0.089 0.000 1.083 222 N CA 0.836 53.864 53.050 -0.037 0.000 0.703 222 N CB -0.627 37.850 38.487 -0.016 0.000 1.005 222 N HN 0.435 nan 8.380 nan 0.000 0.550 223 S N -1.148 114.478 115.700 -0.123 0.000 2.556 223 S HA 0.808 5.288 4.470 0.016 0.000 0.271 223 S C -0.408 174.158 174.600 -0.056 0.000 1.135 223 S CA -0.576 57.530 58.200 -0.157 0.000 0.858 223 S CB 2.912 65.873 63.200 -0.399 0.000 1.114 223 S HN 0.218 nan 8.310 nan 0.000 0.468 224 T N 0.681 115.277 114.554 0.069 0.000 2.749 224 T HA 0.469 4.829 4.350 0.016 0.000 0.310 224 T C -1.890 172.930 174.700 0.201 0.000 1.496 224 T CA -0.673 61.533 62.100 0.176 0.000 1.006 224 T CB 1.352 70.406 68.868 0.310 0.000 1.457 224 T HN 0.575 nan 8.240 nan 0.000 0.497 225 R N 2.674 123.309 120.500 0.225 0.000 2.229 225 R HA 0.540 4.890 4.340 0.016 0.000 0.328 225 R C -0.529 175.881 176.300 0.184 0.000 1.009 225 R CA -0.627 55.586 56.100 0.189 0.000 0.864 225 R CB 0.241 30.649 30.300 0.180 0.000 1.085 225 R HN 0.431 nan 8.270 nan 0.000 0.453 226 I N 7.627 128.266 120.570 0.115 0.000 2.304 226 I HA 0.260 4.440 4.170 0.016 0.000 0.291 226 I C -2.001 174.075 176.117 -0.067 0.000 1.018 226 I CA -3.235 58.078 61.300 0.022 0.000 1.260 226 I CB 1.117 39.108 38.000 -0.015 0.000 1.390 226 I HN 0.492 nan 8.210 nan 0.000 0.475 227 P HA 0.167 nan 4.420 nan 0.000 0.266 227 P C -0.437 176.719 177.300 -0.240 0.000 1.215 227 P CA -0.074 62.869 63.100 -0.262 0.000 0.763 227 P CB 0.793 32.115 31.700 -0.629 0.000 0.806 228 R N 3.535 123.960 120.500 -0.125 0.000 2.837 228 R HA 0.533 4.883 4.340 0.016 0.000 0.271 228 R C -2.716 173.552 176.300 -0.054 0.000 0.993 228 R CA -2.441 53.602 56.100 -0.096 0.000 0.931 228 R CB 0.966 31.228 30.300 -0.064 0.000 1.206 228 R HN 0.245 nan 8.270 nan 0.000 0.474 229 P HA 0.094 nan 4.420 nan 0.000 0.268 229 P C -0.162 177.133 177.300 -0.009 0.000 1.204 229 P CA 0.226 63.315 63.100 -0.019 0.000 0.768 229 P CB 0.484 32.175 31.700 -0.015 0.000 0.842 230 N N 0.394 119.094 118.700 -0.001 0.000 2.945 230 N HA -0.227 4.523 4.740 0.016 0.000 0.209 230 N C 0.101 175.618 175.510 0.011 0.000 0.546 230 N CA 0.969 54.022 53.050 0.005 0.000 1.825 230 N CB -1.317 37.172 38.487 0.004 0.000 1.560 230 N HN 0.417 nan 8.380 nan 0.000 0.369 231 R N 2.950 123.460 120.500 0.015 0.000 2.248 231 R HA 0.239 4.589 4.340 0.016 0.000 0.328 231 R C -0.622 175.685 176.300 0.011 0.000 1.067 231 R CA -0.205 55.909 56.100 0.023 0.000 0.924 231 R CB 0.238 30.559 30.300 0.035 0.000 1.013 231 R HN 0.308 nan 8.270 nan 0.000 0.454 232 D N 1.579 121.986 120.400 0.011 0.000 2.346 232 D HA -0.049 4.600 4.640 0.016 0.000 0.236 232 D C 0.049 176.358 176.300 0.015 0.000 1.259 232 D CA 0.612 54.616 54.000 0.007 0.000 0.898 232 D CB 0.556 41.369 40.800 0.022 0.000 1.178 232 D HN 0.428 nan 8.370 nan 0.000 0.457 233 E N 0.560 120.772 120.200 0.019 0.000 2.292 233 E HA 0.305 4.665 4.350 0.016 0.000 0.272 233 E C -1.442 175.194 176.600 0.061 0.000 0.881 233 E CA -0.659 55.759 56.400 0.030 0.000 0.754 233 E CB 1.021 30.740 29.700 0.032 0.000 1.201 233 E HN 0.301 nan 8.360 nan 0.000 0.425 234 L N 4.598 125.847 121.223 0.044 0.000 2.265 234 L HA 0.418 4.768 4.340 0.016 0.000 0.288 234 L C -0.328 176.612 176.870 0.118 0.000 1.058 234 L CA -0.704 54.172 54.840 0.060 0.000 0.809 234 L CB 0.488 42.531 42.059 -0.026 0.000 1.179 234 L HN 0.462 nan 8.230 nan 0.000 0.429 235 F N 2.569 122.515 119.950 -0.006 0.000 2.469 235 F HA 0.584 5.121 4.527 0.016 0.000 0.332 235 F C -0.245 175.540 175.800 -0.024 0.000 1.103 235 F CA -0.186 57.818 58.000 0.006 0.000 0.979 235 F CB 1.775 40.790 39.000 0.025 0.000 1.137 235 F HN 0.286 nan 8.300 nan 0.000 0.463 236 T N 4.623 118.712 114.554 -0.774 0.000 2.879 236 T HA 0.252 4.612 4.350 0.016 0.000 0.290 236 T C -1.842 172.354 174.700 -0.840 0.000 0.993 236 T CA -0.589 61.139 62.100 -0.620 0.000 0.975 236 T CB 1.268 69.991 68.868 -0.241 0.000 0.981 236 T HN 0.589 nan 8.240 nan 0.000 0.439 237 D N 1.478 121.558 120.400 -0.533 0.000 2.481 237 D HA 0.385 5.035 4.640 0.016 0.000 0.246 237 D C 1.322 177.585 176.300 -0.061 0.000 1.109 237 D CA -0.569 53.288 54.000 -0.238 0.000 0.845 237 D CB 1.280 42.059 40.800 -0.035 0.000 1.160 237 D HN 0.470 nan 8.370 nan 0.000 0.534 238 T N 0.630 115.173 114.554 -0.019 0.000 3.088 238 T HA 0.005 4.365 4.350 0.016 0.000 0.259 238 T C 1.249 175.970 174.700 0.035 0.000 1.122 238 T CA 0.520 62.639 62.100 0.032 0.000 1.095 238 T CB 0.032 68.931 68.868 0.053 0.000 0.930 238 T HN 0.307 nan 8.240 nan 0.000 0.508 239 K N 1.431 121.852 120.400 0.035 0.000 2.314 239 K HA 0.440 4.770 4.320 0.016 0.000 0.198 239 K C 1.083 177.717 176.600 0.056 0.000 1.045 239 K CA 0.216 56.531 56.287 0.046 0.000 0.988 239 K CB 0.135 32.666 32.500 0.052 0.000 0.783 239 K HN 0.373 nan 8.250 nan 0.000 0.484 240 A N 2.014 124.866 122.820 0.053 0.000 2.491 240 A HA 0.073 4.402 4.320 0.016 0.000 0.261 240 A C 0.291 177.879 177.584 0.007 0.000 1.101 240 A CA 0.023 52.103 52.037 0.072 0.000 0.772 240 A CB 0.079 19.077 19.000 -0.003 0.000 1.043 240 A HN 0.253 nan 8.150 nan 0.000 0.501 241 R N 0.988 121.558 120.500 0.118 0.000 2.515 241 R HA 0.124 4.474 4.340 0.016 0.000 0.294 241 R C -0.594 175.733 176.300 0.044 0.000 1.021 241 R CA 0.090 56.224 56.100 0.057 0.000 1.081 241 R CB -0.071 30.275 30.300 0.076 0.000 1.263 241 R HN 1.005 nan 8.270 nan 0.000 0.557 242 H N -2.675 116.341 119.070 -0.090 0.000 2.690 242 H HA 0.398 4.964 4.556 0.016 0.000 0.368 242 H C -1.179 173.976 175.328 -0.289 0.000 1.150 242 H CA -1.237 54.716 56.048 -0.159 0.000 1.174 242 H CB 1.179 30.861 29.762 -0.132 0.000 1.684 242 H HN -0.157 nan 8.280 nan 0.000 0.538 243 L N 2.371 123.366 121.223 -0.381 0.000 2.292 243 L HA 0.319 4.669 4.340 0.016 0.000 0.284 243 L C -0.998 175.573 176.870 -0.498 0.000 1.065 243 L CA -0.774 53.697 54.840 -0.615 0.000 0.806 243 L CB 0.922 42.493 42.059 -0.814 0.000 1.175 243 L HN 0.707 nan 8.230 nan 0.000 0.431 244 L N 6.215 127.177 121.223 -0.435 0.000 2.312 244 L HA 0.664 5.014 4.340 0.016 0.000 0.281 244 L C -0.966 175.734 176.870 -0.283 0.000 1.070 244 L CA -0.052 54.606 54.840 -0.303 0.000 0.805 244 L CB 1.492 43.379 42.059 -0.286 0.000 1.174 244 L HN 0.405 nan 8.230 nan 0.000 0.434 245 V N 6.232 126.048 119.914 -0.163 0.000 2.623 245 V HA 0.433 4.562 4.120 0.016 0.000 0.304 245 V C -0.423 175.689 176.094 0.030 0.000 1.054 245 V CA -0.626 61.646 62.300 -0.047 0.000 0.882 245 V CB 1.677 33.520 31.823 0.033 0.000 1.002 245 V HN 0.589 nan 8.190 nan 0.000 0.424 246 L N 5.127 126.324 121.223 -0.043 0.000 2.294 246 L HA 0.651 5.001 4.340 0.016 0.000 0.283 246 L C -0.003 176.916 176.870 0.081 0.000 1.015 246 L CA -0.335 54.464 54.840 -0.068 0.000 0.831 246 L CB 1.478 43.383 42.059 -0.257 0.000 1.217 246 L HN 0.593 nan 8.230 nan 0.000 0.420 247 R N 4.012 124.659 120.500 0.246 0.000 2.439 247 R HA 0.318 4.668 4.340 0.016 0.000 0.310 247 R C -0.035 176.399 176.300 0.224 0.000 0.955 247 R CA -0.529 55.713 56.100 0.236 0.000 0.853 247 R CB 0.866 31.329 30.300 0.271 0.000 1.171 247 R HN 0.519 nan 8.270 nan 0.000 0.449 248 K N 2.377 122.850 120.400 0.121 0.000 3.193 248 K HA -0.264 4.066 4.320 0.016 0.000 0.294 248 K C 0.551 177.085 176.600 -0.109 0.000 1.185 248 K CA 1.065 57.386 56.287 0.057 0.000 0.866 248 K CB -1.055 31.531 32.500 0.142 0.000 1.227 248 K HN 1.129 nan 8.250 nan 0.000 0.467 249 G N -0.130 108.609 108.800 -0.103 0.000 2.218 249 G HA2 -0.224 3.745 3.960 0.016 0.000 0.216 249 G HA3 -0.224 3.745 3.960 0.016 0.000 0.216 249 G C -0.095 174.770 174.900 -0.058 0.000 0.994 249 G CA 0.198 45.214 45.100 -0.140 0.000 0.637 249 G HN 0.403 nan 8.290 nan 0.000 0.505 250 H N -0.234 118.905 119.070 0.115 0.000 2.582 250 H HA 0.507 5.072 4.556 0.016 0.000 0.345 250 H C -0.206 175.085 175.328 -0.062 0.000 1.104 250 H CA -0.181 55.881 56.048 0.025 0.000 1.390 250 H CB 0.536 30.211 29.762 -0.145 0.000 1.461 250 H HN 0.172 nan 8.280 nan 0.000 0.551 251 F N 2.616 122.411 119.950 -0.258 0.000 2.410 251 F HA 0.238 4.775 4.527 0.017 0.000 0.349 251 F C -0.231 175.274 175.800 -0.493 0.000 1.117 251 F CA -0.565 57.286 58.000 -0.248 0.000 1.104 251 F CB 0.667 39.601 39.000 -0.110 0.000 1.122 251 F HN 0.407 nan 8.300 nan 0.000 0.483 252 Y N 1.904 122.262 120.300 0.098 0.000 2.524 252 Y HA 0.665 5.225 4.550 0.016 0.000 0.344 252 Y C -0.357 175.522 175.900 -0.035 0.000 1.012 252 Y CA -1.455 56.683 58.100 0.064 0.000 1.068 252 Y CB 1.816 40.341 38.460 0.108 0.000 1.249 252 Y HN 0.344 nan 8.280 nan 0.000 0.468 253 V N 0.270 120.257 119.914 0.122 0.000 2.962 253 V HA 0.913 5.042 4.120 0.016 0.000 0.313 253 V C -1.222 174.885 176.094 0.021 0.000 1.099 253 V CA -1.125 61.156 62.300 -0.032 0.000 0.971 253 V CB 1.888 33.677 31.823 -0.056 0.000 1.028 253 V HN 0.793 nan 8.190 nan 0.000 0.430 254 F N -0.146 119.786 119.950 -0.030 0.000 2.741 254 F HA 0.786 5.323 4.527 0.016 0.000 0.313 254 F C -1.106 174.665 175.800 -0.050 0.000 1.153 254 F CA -1.198 56.734 58.000 -0.113 0.000 0.931 254 F CB 0.710 39.548 39.000 -0.271 0.000 1.335 254 F HN 0.450 nan 8.300 nan 0.000 0.460 255 D N 1.266 121.855 120.400 0.315 0.000 2.351 255 D HA 0.396 5.046 4.640 0.016 0.000 0.251 255 D C 1.087 177.571 176.300 0.306 0.000 1.137 255 D CA 0.024 54.159 54.000 0.225 0.000 0.879 255 D CB 1.929 42.806 40.800 0.130 0.000 1.181 255 D HN 0.616 nan 8.370 nan 0.000 0.448 256 V N 0.354 120.366 119.914 0.163 0.000 3.661 256 V HA 0.325 4.455 4.120 0.016 0.000 0.271 256 V C 0.507 176.654 176.094 0.087 0.000 1.315 256 V CA 0.114 62.502 62.300 0.147 0.000 1.072 256 V CB -0.310 31.559 31.823 0.077 0.000 0.830 256 V HN 0.268 nan 8.190 nan 0.000 0.443 257 L N 2.306 123.568 121.223 0.066 0.000 2.410 257 L HA 0.611 4.960 4.340 0.016 0.000 0.270 257 L C -0.831 176.068 176.870 0.048 0.000 0.983 257 L CA -0.699 54.167 54.840 0.043 0.000 0.822 257 L CB 2.187 44.260 42.059 0.024 0.000 1.285 257 L HN 0.293 nan 8.230 nan 0.000 0.409 258 D N 0.620 121.043 120.400 0.038 0.000 2.451 258 D HA 0.086 4.735 4.640 0.016 0.000 0.259 258 D C 0.828 177.145 176.300 0.028 0.000 1.201 258 D CA -0.540 53.480 54.000 0.034 0.000 1.028 258 D CB 0.680 41.496 40.800 0.027 0.000 1.095 258 D HN 0.454 nan 8.370 nan 0.000 0.539 259 Q N -0.503 119.311 119.800 0.024 0.000 2.182 259 Q HA -0.243 4.107 4.340 0.016 0.000 0.213 259 Q C 0.967 176.980 176.000 0.022 0.000 1.000 259 Q CA 2.410 58.226 55.803 0.022 0.000 0.889 259 Q CB -0.318 28.430 28.738 0.017 0.000 0.932 259 Q HN 0.552 nan 8.270 nan 0.000 0.415 260 D N -2.214 118.198 120.400 0.020 0.000 2.234 260 D HA 0.044 4.694 4.640 0.016 0.000 0.205 260 D C 1.003 177.318 176.300 0.025 0.000 0.962 260 D CA 1.236 55.249 54.000 0.021 0.000 0.855 260 D CB 0.110 40.920 40.800 0.018 0.000 0.951 260 D HN 0.479 nan 8.370 nan 0.000 0.500 261 G N 1.051 109.865 108.800 0.024 0.000 2.135 261 G HA2 -0.213 3.756 3.960 0.016 0.000 0.183 261 G HA3 -0.213 3.756 3.960 0.016 0.000 0.183 261 G C -0.244 174.663 174.900 0.011 0.000 1.004 261 G CA -0.451 44.663 45.100 0.024 0.000 0.677 261 G HN 0.327 nan 8.290 nan 0.000 0.512 262 N N -0.179 118.524 118.700 0.004 0.000 2.443 262 N HA 0.578 5.328 4.740 0.016 0.000 0.295 262 N C 0.578 176.082 175.510 -0.010 0.000 1.076 262 N CA -0.961 52.080 53.050 -0.016 0.000 0.919 262 N CB 1.400 39.876 38.487 -0.017 0.000 1.176 262 N HN 0.167 nan 8.380 nan 0.000 0.487 263 I N 1.933 122.487 120.570 -0.027 0.000 2.775 263 I HA -0.093 4.087 4.170 0.016 0.000 0.290 263 I C 0.677 176.802 176.117 0.013 0.000 1.203 263 I CA -0.042 61.256 61.300 -0.003 0.000 1.433 263 I CB 0.235 38.226 38.000 -0.014 0.000 1.354 263 I HN 0.197 nan 8.210 nan 0.000 0.579 264 V N 6.347 126.285 119.914 0.040 0.000 3.139 264 V HA -0.104 4.026 4.120 0.016 0.000 0.307 264 V C 0.981 177.091 176.094 0.025 0.000 1.095 264 V CA -0.288 62.038 62.300 0.045 0.000 1.160 264 V CB 0.623 32.499 31.823 0.088 0.000 1.003 264 V HN 0.770 nan 8.190 nan 0.000 0.489 265 N N 4.261 122.963 118.700 0.004 0.000 2.423 265 N HA 0.026 4.776 4.740 0.016 0.000 0.275 265 N C -1.553 173.944 175.510 -0.022 0.000 1.283 265 N CA -1.108 51.933 53.050 -0.016 0.000 0.932 265 N CB 1.296 39.763 38.487 -0.034 0.000 1.185 265 N HN 0.334 nan 8.380 nan 0.000 0.483 266 P HA -0.253 nan 4.420 nan 0.000 0.225 266 P C 1.441 178.718 177.300 -0.037 0.000 1.154 266 P CA 1.575 64.672 63.100 -0.004 0.000 0.933 266 P CB 0.168 31.867 31.700 -0.001 0.000 0.790 267 L N -1.236 119.953 121.223 -0.057 0.000 2.201 267 L HA -0.145 4.205 4.340 0.016 0.000 0.212 267 L C 2.494 179.271 176.870 -0.156 0.000 1.105 267 L CA 1.344 56.131 54.840 -0.088 0.000 0.775 267 L CB -0.856 41.157 42.059 -0.076 0.000 0.913 267 L HN 0.049 nan 8.230 nan 0.000 0.440 268 E N 0.437 120.525 120.200 -0.185 0.000 2.047 268 E HA -0.185 4.175 4.350 0.016 0.000 0.191 268 E C 2.338 178.660 176.600 -0.463 0.000 0.987 268 E CA 1.075 57.257 56.400 -0.363 0.000 0.799 268 E CB -0.038 29.506 29.700 -0.260 0.000 0.752 268 E HN 0.441 nan 8.360 nan 0.000 0.449 269 I N 1.288 121.743 120.570 -0.192 0.000 2.179 269 I HA -0.337 3.843 4.170 0.016 0.000 0.242 269 I C 2.864 178.908 176.117 -0.123 0.000 1.088 269 I CA 1.244 62.480 61.300 -0.105 0.000 1.357 269 I CB -0.270 37.785 38.000 0.092 0.000 1.051 269 I HN 0.193 nan 8.210 nan 0.000 0.409 270 Q N 1.068 120.816 119.800 -0.087 0.000 2.096 270 Q HA -0.304 4.046 4.340 0.016 0.000 0.208 270 Q C 2.252 178.188 176.000 -0.105 0.000 0.993 270 Q CA 2.450 58.214 55.803 -0.066 0.000 0.862 270 Q CB -0.154 28.547 28.738 -0.061 0.000 0.915 270 Q HN 0.575 nan 8.270 nan 0.000 0.416 271 A N 0.080 122.779 122.820 -0.202 0.000 1.877 271 A HA -0.210 4.120 4.320 0.016 0.000 0.216 271 A C 1.644 179.115 177.584 -0.190 0.000 1.186 271 A CA 1.710 53.616 52.037 -0.219 0.000 0.620 271 A CB -1.048 17.759 19.000 -0.321 0.000 0.822 271 A HN 0.654 nan 8.150 nan 0.000 0.443 272 H N -0.325 118.575 119.070 -0.284 0.000 2.387 272 H HA -0.066 4.500 4.556 0.016 0.000 0.299 272 H C 1.915 177.140 175.328 -0.171 0.000 1.099 272 H CA 1.404 57.203 56.048 -0.414 0.000 1.315 272 H CB -0.153 28.954 29.762 -1.092 0.000 1.380 272 H HN 0.396 nan 8.280 nan 0.000 0.513 273 L N 0.779 122.008 121.223 0.010 0.000 2.072 273 L HA -0.143 4.206 4.340 0.016 0.000 0.205 273 L C 2.514 179.415 176.870 0.052 0.000 1.079 273 L CA 1.296 56.196 54.840 0.101 0.000 0.752 273 L CB -0.378 41.758 42.059 0.129 0.000 0.906 273 L HN 0.307 nan 8.230 nan 0.000 0.436 274 K N 0.521 120.939 120.400 0.030 0.000 2.103 274 K HA -0.288 4.042 4.320 0.016 0.000 0.207 274 K C 2.224 178.846 176.600 0.036 0.000 1.048 274 K CA 2.086 58.385 56.287 0.020 0.000 0.930 274 K CB -0.659 31.843 32.500 0.002 0.000 0.716 274 K HN 0.366 nan 8.250 nan 0.000 0.444 275 Y N 0.912 121.169 120.300 -0.070 0.000 2.395 275 Y HA 0.107 4.667 4.550 0.016 0.000 0.293 275 Y C 1.647 177.486 175.900 -0.101 0.000 1.123 275 Y CA 0.713 58.771 58.100 -0.069 0.000 1.227 275 Y CB 0.145 38.572 38.460 -0.056 0.000 1.012 275 Y HN -0.020 nan 8.280 nan 0.000 0.552 276 I N 0.046 120.485 120.570 -0.218 0.000 2.406 276 I HA -0.245 3.935 4.170 0.016 0.000 0.249 276 I C 1.987 177.937 176.117 -0.277 0.000 1.122 276 I CA 0.935 61.975 61.300 -0.434 0.000 1.431 276 I CB -0.238 37.538 38.000 -0.374 0.000 1.087 276 I HN 0.244 nan 8.210 nan 0.000 0.424 277 L N 0.038 121.180 121.223 -0.135 0.000 2.450 277 L HA -0.149 4.201 4.340 0.016 0.000 0.224 277 L C 2.365 179.191 176.870 -0.074 0.000 1.149 277 L CA 0.723 55.522 54.840 -0.068 0.000 0.816 277 L CB -0.381 41.663 42.059 -0.025 0.000 0.932 277 L HN 0.215 nan 8.230 nan 0.000 0.449 278 S N -1.749 113.871 115.700 -0.134 0.000 2.371 278 S HA -0.077 4.402 4.470 0.016 0.000 0.219 278 S C 0.700 175.222 174.600 -0.129 0.000 1.040 278 S CA -0.198 57.931 58.200 -0.120 0.000 0.958 278 S CB -0.121 62.999 63.200 -0.134 0.000 0.860 278 S HN 0.404 nan 8.310 nan 0.000 0.487 279 D N 2.201 122.467 120.400 -0.223 0.000 2.877 279 D HA -0.072 4.578 4.640 0.016 0.000 0.220 279 D C 0.498 176.768 176.300 -0.050 0.000 1.089 279 D CA 0.544 54.446 54.000 -0.163 0.000 0.811 279 D CB 0.477 41.172 40.800 -0.176 0.000 1.162 279 D HN 0.380 nan 8.370 nan 0.000 0.513 280 S N 0.547 116.229 115.700 -0.030 0.000 2.559 280 S HA 0.047 4.526 4.470 0.016 0.000 0.226 280 S C 0.445 175.067 174.600 0.036 0.000 1.000 280 S CA -0.565 57.641 58.200 0.011 0.000 0.948 280 S CB 0.179 63.382 63.200 0.004 0.000 0.870 280 S HN 0.376 nan 8.310 nan 0.000 0.497 281 S N 3.579 119.289 115.700 0.018 0.000 2.525 281 S HA 0.355 4.835 4.470 0.016 0.000 0.285 281 S C -2.273 172.440 174.600 0.189 0.000 1.283 281 S CA -0.778 57.452 58.200 0.050 0.000 1.072 281 S CB -0.125 63.039 63.200 -0.059 0.000 0.867 281 S HN 0.246 nan 8.310 nan 0.000 0.492 282 P HA 0.274 nan 4.420 nan 0.000 0.318 282 P C -0.553 176.865 177.300 0.197 0.000 1.309 282 P CA -0.910 62.289 63.100 0.166 0.000 0.736 282 P CB 0.270 32.023 31.700 0.088 0.000 1.440 283 V N 1.374 121.323 119.914 0.059 0.000 2.470 283 V HA 0.141 4.271 4.120 0.016 0.000 0.276 283 V C -1.880 174.183 176.094 -0.051 0.000 1.040 283 V CA -1.043 61.227 62.300 -0.049 0.000 1.008 283 V CB -0.394 31.406 31.823 -0.039 0.000 0.990 283 V HN 0.522 nan 8.190 nan 0.000 0.477 284 P HA 0.018 nan 4.420 nan 0.000 0.266 284 P C 0.889 178.144 177.300 -0.075 0.000 1.193 284 P CA -0.088 62.997 63.100 -0.025 0.000 0.770 284 P CB 0.567 32.258 31.700 -0.015 0.000 0.836 285 E N 0.510 120.631 120.200 -0.132 0.000 2.396 285 E HA -0.101 4.258 4.350 0.016 0.000 0.200 285 E C -0.148 175.990 176.600 -0.770 0.000 1.023 285 E CA 1.112 57.251 56.400 -0.435 0.000 0.857 285 E CB -0.175 29.206 29.700 -0.532 0.000 0.775 285 E HN 0.420 nan 8.360 nan 0.000 0.525 286 F N -0.078 119.888 119.950 0.026 0.000 2.872 286 F HA 0.284 4.821 4.527 0.016 0.000 0.365 286 F C -2.351 173.458 175.800 0.016 0.000 1.296 286 F CA -2.375 55.640 58.000 0.025 0.000 1.199 286 F CB 1.354 40.354 39.000 0.000 0.000 1.687 286 F HN -0.275 nan 8.300 nan 0.000 0.604 287 P HA 0.091 nan 4.420 nan 0.000 0.270 287 P C 0.963 178.316 177.300 0.089 0.000 1.242 287 P CA 0.132 63.277 63.100 0.076 0.000 0.768 287 P CB 1.139 32.805 31.700 -0.058 0.000 0.820 288 V N 2.937 122.854 119.914 0.005 0.000 3.241 288 V HA -0.173 3.957 4.120 0.016 0.000 0.269 288 V C 2.039 178.162 176.094 0.049 0.000 1.151 288 V CA 2.015 64.238 62.300 -0.129 0.000 1.158 288 V CB -1.382 30.054 31.823 -0.646 0.000 0.764 288 V HN 0.604 nan 8.190 nan 0.000 0.508 289 A N -1.602 121.296 122.820 0.131 0.000 2.235 289 A HA -0.008 4.322 4.320 0.016 0.000 0.208 289 A C 1.839 179.314 177.584 -0.181 0.000 1.172 289 A CA 0.496 52.570 52.037 0.061 0.000 0.786 289 A CB -0.540 18.465 19.000 0.008 0.000 0.804 289 A HN 0.579 nan 8.150 nan 0.000 0.479 290 Y N 0.020 120.229 120.300 -0.152 0.000 2.263 290 Y HA -0.076 4.484 4.550 0.016 0.000 0.292 290 Y C 1.973 177.695 175.900 -0.297 0.000 1.130 290 Y CA 1.006 58.988 58.100 -0.197 0.000 1.179 290 Y CB -0.237 38.126 38.460 -0.162 0.000 0.998 290 Y HN 0.216 nan 8.280 nan 0.000 0.532 291 L N -0.211 120.822 121.223 -0.316 0.000 2.263 291 L HA -0.234 4.116 4.340 0.016 0.000 0.216 291 L C 2.031 178.095 176.870 -1.343 0.000 1.111 291 L CA 1.737 56.118 54.840 -0.765 0.000 0.773 291 L CB -1.114 40.339 42.059 -1.010 0.000 0.906 291 L HN 0.351 nan 8.230 nan 0.000 0.439 292 T N -4.983 108.962 114.554 -1.015 0.000 3.107 292 T HA 0.034 4.394 4.350 0.016 0.000 0.249 292 T C 1.502 176.063 174.700 -0.232 0.000 1.096 292 T CA 0.492 62.104 62.100 -0.812 0.000 1.012 292 T CB 0.049 68.413 68.868 -0.840 0.000 0.977 292 T HN 0.387 nan 8.240 nan 0.000 0.527 293 S N -0.813 114.801 115.700 -0.144 0.000 2.559 293 S HA 0.245 4.725 4.470 0.016 0.000 0.226 293 S C 0.485 175.079 174.600 -0.009 0.000 1.000 293 S CA -0.601 57.569 58.200 -0.051 0.000 0.948 293 S CB 0.086 63.384 63.200 0.163 0.000 0.870 293 S HN 0.325 nan 8.310 nan 0.000 0.497 294 E N 3.010 123.182 120.200 -0.047 0.000 2.391 294 E HA 0.082 4.442 4.350 0.016 0.000 0.255 294 E C 0.222 176.870 176.600 0.080 0.000 1.187 294 E CA -0.211 56.206 56.400 0.028 0.000 0.941 294 E CB 0.290 30.013 29.700 0.039 0.000 1.010 294 E HN 0.502 nan 8.360 nan 0.000 0.458 295 N N 1.344 120.094 118.700 0.083 0.000 2.292 295 N HA -0.144 4.606 4.740 0.016 0.000 0.242 295 N C 0.666 176.267 175.510 0.153 0.000 1.243 295 N CA 0.199 53.306 53.050 0.096 0.000 0.851 295 N CB 0.567 39.093 38.487 0.067 0.000 1.093 295 N HN 0.238 nan 8.380 nan 0.000 0.450 296 R N 2.229 122.811 120.500 0.137 0.000 2.148 296 R HA -0.037 4.313 4.340 0.016 0.000 0.223 296 R C 1.085 177.446 176.300 0.102 0.000 1.088 296 R CA 0.956 57.148 56.100 0.153 0.000 0.985 296 R CB -0.460 29.910 30.300 0.115 0.000 0.880 296 R HN 0.687 nan 8.270 nan 0.000 0.451 297 D N 0.483 120.929 120.400 0.076 0.000 2.123 297 D HA -0.080 4.570 4.640 0.016 0.000 0.200 297 D C 1.995 178.336 176.300 0.069 0.000 0.976 297 D CA 0.818 54.847 54.000 0.049 0.000 0.831 297 D CB -0.038 40.784 40.800 0.037 0.000 0.974 297 D HN -0.055 nan 8.370 nan 0.000 0.469 298 V N 1.204 121.180 119.914 0.105 0.000 2.282 298 V HA -0.233 3.896 4.120 0.016 0.000 0.249 298 V C 2.134 178.356 176.094 0.214 0.000 1.057 298 V CA 1.722 64.099 62.300 0.129 0.000 1.032 298 V CB -0.570 31.326 31.823 0.122 0.000 0.645 298 V HN 0.448 nan 8.190 nan 0.000 0.447 299 W N 0.248 121.552 121.300 0.007 0.000 2.523 299 W HA -0.032 4.638 4.660 0.016 0.000 0.278 299 W C 2.364 178.886 176.519 0.004 0.000 1.236 299 W CA 0.716 58.062 57.345 0.001 0.000 1.306 299 W CB -0.009 29.446 29.460 -0.007 0.000 1.101 299 W HN 0.290 nan 8.180 nan 0.000 0.577 300 A N 1.250 123.978 122.820 -0.153 0.000 1.884 300 A HA -0.353 3.976 4.320 0.016 0.000 0.219 300 A C 1.881 179.342 177.584 -0.205 0.000 1.197 300 A CA 2.379 54.246 52.037 -0.284 0.000 0.637 300 A CB -1.280 17.639 19.000 -0.135 0.000 0.827 300 A HN 0.535 nan 8.150 nan 0.000 0.450 301 E N -0.453 119.716 120.200 -0.052 0.000 2.046 301 E HA -0.111 4.249 4.350 0.016 0.000 0.190 301 E C 2.034 178.644 176.600 0.016 0.000 0.982 301 E CA 0.912 57.305 56.400 -0.011 0.000 0.800 301 E CB -0.210 29.508 29.700 0.030 0.000 0.756 301 E HN 0.611 nan 8.360 nan 0.000 0.449 302 L N 0.632 121.913 121.223 0.097 0.000 2.042 302 L HA -0.212 4.138 4.340 0.016 0.000 0.210 302 L C 2.942 179.894 176.870 0.136 0.000 1.076 302 L CA 1.288 56.230 54.840 0.170 0.000 0.749 302 L CB -0.541 41.706 42.059 0.313 0.000 0.893 302 L HN 0.173 nan 8.230 nan 0.000 0.432 303 R N 0.723 121.179 120.500 -0.072 0.000 2.081 303 R HA -0.237 4.113 4.340 0.016 0.000 0.235 303 R C 2.249 178.442 176.300 -0.179 0.000 1.131 303 R CA 2.034 57.941 56.100 -0.322 0.000 0.960 303 R CB -0.118 29.500 30.300 -1.138 0.000 0.856 303 R HN 0.533 nan 8.270 nan 0.000 0.436 304 Q N -0.282 119.414 119.800 -0.174 0.000 2.444 304 Q HA -0.003 4.346 4.340 0.016 0.000 0.206 304 Q C 1.256 177.203 176.000 -0.088 0.000 0.948 304 Q CA 0.848 56.541 55.803 -0.184 0.000 0.946 304 Q CB 0.342 28.966 28.738 -0.191 0.000 1.027 304 Q HN 0.144 nan 8.270 nan 0.000 0.513 305 K N 0.310 120.729 120.400 0.033 0.000 2.137 305 K HA 0.065 4.395 4.320 0.016 0.000 0.202 305 K C 1.840 178.496 176.600 0.094 0.000 1.052 305 K CA 0.672 57.034 56.287 0.125 0.000 0.961 305 K CB 0.061 32.627 32.500 0.110 0.000 0.741 305 K HN 0.276 nan 8.250 nan 0.000 0.452 306 L N 1.268 122.530 121.223 0.065 0.000 2.127 306 L HA -0.195 4.155 4.340 0.016 0.000 0.211 306 L C 2.270 179.169 176.870 0.049 0.000 1.089 306 L CA 0.706 55.595 54.840 0.082 0.000 0.757 306 L CB -0.285 41.851 42.059 0.127 0.000 0.899 306 L HN 0.182 nan 8.230 nan 0.000 0.434 307 I N -0.838 119.707 120.570 -0.042 0.000 2.202 307 I HA -0.302 3.877 4.170 0.016 0.000 0.242 307 I C 2.371 178.435 176.117 -0.089 0.000 1.091 307 I CA 1.942 63.158 61.300 -0.140 0.000 1.368 307 I CB -0.803 36.996 38.000 -0.335 0.000 1.058 307 I HN 0.209 nan 8.210 nan 0.000 0.410 308 F N 0.906 120.856 119.950 0.001 0.000 2.407 308 F HA -0.135 4.401 4.527 0.016 0.000 0.299 308 F C 1.778 177.578 175.800 0.001 0.000 1.097 308 F CA 0.492 58.490 58.000 -0.003 0.000 1.422 308 F CB 0.051 39.047 39.000 -0.006 0.000 1.067 308 F HN 0.121 nan 8.300 nan 0.000 0.539 309 D N -0.346 120.165 120.400 0.185 0.000 2.328 309 D HA 0.120 4.769 4.640 0.016 0.000 0.221 309 D C 1.570 177.918 176.300 0.079 0.000 1.072 309 D CA 0.903 54.971 54.000 0.112 0.000 0.850 309 D CB 0.388 41.239 40.800 0.086 0.000 0.922 309 D HN 0.327 nan 8.370 nan 0.000 0.516 310 G N 1.618 110.461 108.800 0.072 0.000 2.141 310 G HA2 -0.255 3.715 3.960 0.016 0.000 0.195 310 G HA3 -0.255 3.715 3.960 0.016 0.000 0.195 310 G C 0.487 175.398 174.900 0.019 0.000 1.012 310 G CA -0.273 44.851 45.100 0.039 0.000 0.696 310 G HN 0.308 nan 8.290 nan 0.000 0.508 311 N N -0.249 118.470 118.700 0.032 0.000 2.203 311 N HA 0.217 4.966 4.740 0.016 0.000 0.207 311 N C 1.450 176.959 175.510 -0.002 0.000 1.130 311 N CA 0.364 53.432 53.050 0.031 0.000 0.861 311 N CB 0.316 38.900 38.487 0.161 0.000 1.005 311 N HN 0.529 nan 8.380 nan 0.000 0.507 312 E N 1.936 122.118 120.200 -0.030 0.000 2.065 312 E HA -0.320 4.040 4.350 0.016 0.000 0.201 312 E C 1.574 178.136 176.600 -0.063 0.000 1.016 312 E CA 1.340 57.705 56.400 -0.058 0.000 0.818 312 E CB 0.084 29.737 29.700 -0.079 0.000 0.749 312 E HN 0.353 nan 8.360 nan 0.000 0.453 313 E N -0.835 119.327 120.200 -0.063 0.000 2.085 313 E HA -0.164 4.196 4.350 0.016 0.000 0.194 313 E C 1.913 178.454 176.600 -0.098 0.000 0.994 313 E CA 1.726 58.082 56.400 -0.073 0.000 0.801 313 E CB 0.025 29.683 29.700 -0.070 0.000 0.743 313 E HN 0.316 nan 8.360 nan 0.000 0.453 314 T N 0.970 115.446 114.554 -0.130 0.000 2.985 314 T HA 0.012 4.372 4.350 0.016 0.000 0.266 314 T C 1.912 176.533 174.700 -0.132 0.000 1.076 314 T CA 0.232 62.209 62.100 -0.205 0.000 1.135 314 T CB 0.061 68.692 68.868 -0.394 0.000 0.890 314 T HN 0.098 nan 8.240 nan 0.000 0.480 315 L N 0.507 121.706 121.223 -0.039 0.000 2.027 315 L HA -0.056 4.293 4.340 0.016 0.000 0.206 315 L C 2.724 179.564 176.870 -0.050 0.000 1.074 315 L CA 0.980 55.831 54.840 0.019 0.000 0.745 315 L CB -0.346 41.749 42.059 0.062 0.000 0.898 315 L HN 0.042 nan 8.230 nan 0.000 0.433 316 K N 0.768 121.120 120.400 -0.080 0.000 2.020 316 K HA -0.215 4.114 4.320 0.016 0.000 0.212 316 K C 2.008 178.606 176.600 -0.004 0.000 1.050 316 K CA 1.576 57.815 56.287 -0.081 0.000 0.929 316 K CB -0.430 32.034 32.500 -0.059 0.000 0.714 316 K HN 0.312 nan 8.250 nan 0.000 0.443 317 K N 0.586 120.972 120.400 -0.023 0.000 2.113 317 K HA -0.127 4.202 4.320 0.016 0.000 0.208 317 K C 2.137 178.786 176.600 0.082 0.000 1.047 317 K CA 1.359 57.657 56.287 0.019 0.000 0.928 317 K CB -0.241 32.186 32.500 -0.122 0.000 0.716 317 K HN -0.085 nan 8.250 nan 0.000 0.446 318 V N 1.721 121.609 119.914 -0.042 0.000 2.427 318 V HA -0.207 3.923 4.120 0.016 0.000 0.248 318 V C 1.378 177.386 176.094 -0.144 0.000 1.051 318 V CA 1.834 64.035 62.300 -0.164 0.000 1.048 318 V CB -0.372 31.243 31.823 -0.346 0.000 0.666 318 V HN 0.263 nan 8.190 nan 0.000 0.456 319 D N 0.199 120.579 120.400 -0.034 0.000 2.234 319 D HA -0.062 4.588 4.640 0.016 0.000 0.205 319 D C 2.252 178.667 176.300 0.192 0.000 0.962 319 D CA 1.497 55.537 54.000 0.066 0.000 0.855 319 D CB -0.011 40.730 40.800 -0.098 0.000 0.951 319 D HN 0.613 nan 8.370 nan 0.000 0.500 320 S N -0.601 115.193 115.700 0.157 0.000 2.524 320 S HA 0.356 4.836 4.470 0.016 0.000 0.215 320 S C 1.089 175.595 174.600 -0.155 0.000 0.986 320 S CA -0.283 58.001 58.200 0.140 0.000 0.911 320 S CB 0.215 63.558 63.200 0.238 0.000 0.805 320 S HN 0.164 nan 8.310 nan 0.000 0.501 321 A N 2.868 125.524 122.820 -0.273 0.000 2.566 321 A HA 0.396 4.726 4.320 0.016 0.000 0.245 321 A C 1.733 179.126 177.584 -0.318 0.000 1.056 321 A CA 0.161 51.904 52.037 -0.489 0.000 0.757 321 A CB -0.260 18.526 19.000 -0.357 0.000 0.979 321 A HN 1.016 nan 8.150 nan 0.000 0.508 322 V N 1.628 121.340 119.914 -0.336 0.000 2.277 322 V HA -0.186 3.944 4.120 0.016 0.000 0.253 322 V C 1.023 177.199 176.094 0.136 0.000 1.067 322 V CA 2.243 64.504 62.300 -0.064 0.000 1.047 322 V CB -1.949 29.830 31.823 -0.072 0.000 0.649 322 V HN 1.320 nan 8.190 nan 0.000 0.447 323 F N -2.648 117.188 119.950 -0.190 0.000 3.750 323 F HA 0.767 5.304 4.527 0.017 0.000 0.327 323 F C -0.569 175.037 175.800 -0.324 0.000 1.225 323 F CA -0.952 56.790 58.000 -0.430 0.000 0.928 323 F CB 1.148 39.648 39.000 -0.834 0.000 1.670 323 F HN 0.046 nan 8.300 nan 0.000 0.521 324 C N 2.037 121.302 119.300 -0.058 0.000 2.516 324 C HA 0.780 5.250 4.460 0.016 0.000 0.338 324 C C -1.424 173.629 174.990 0.105 0.000 1.132 324 C CA -0.649 58.311 59.018 -0.096 0.000 1.310 324 C CB 0.312 27.996 27.740 -0.094 0.000 1.898 324 C HN 0.828 nan 8.230 nan 0.000 0.452 325 L N 7.504 128.737 121.223 0.016 0.000 2.262 325 L HA 0.622 4.972 4.340 0.016 0.000 0.288 325 L C -0.335 176.572 176.870 0.061 0.000 1.035 325 L CA 0.137 55.058 54.840 0.135 0.000 0.820 325 L CB 0.403 42.547 42.059 0.142 0.000 1.204 325 L HN 0.823 nan 8.230 nan 0.000 0.424 326 C N 6.139 125.484 119.300 0.075 0.000 2.246 326 C HA 0.396 4.866 4.460 0.016 0.000 0.329 326 C C 0.574 175.591 174.990 0.045 0.000 1.221 326 C CA -0.919 58.115 59.018 0.027 0.000 1.697 326 C CB -0.619 27.114 27.740 -0.011 0.000 2.312 326 C HN 0.663 nan 8.230 nan 0.000 0.509 327 L N 3.615 124.865 121.223 0.044 0.000 2.475 327 L HA 0.227 4.577 4.340 0.016 0.000 0.253 327 L C -0.248 176.640 176.870 0.031 0.000 1.137 327 L CA -0.100 54.764 54.840 0.040 0.000 1.058 327 L CB -0.591 41.499 42.059 0.053 0.000 1.382 327 L HN 0.618 nan 8.230 nan 0.000 0.416 328 D N 1.111 121.506 120.400 -0.009 0.000 2.478 328 D HA -0.016 4.633 4.640 0.016 0.000 0.234 328 D C 0.181 176.468 176.300 -0.022 0.000 1.154 328 D CA 0.632 54.620 54.000 -0.020 0.000 0.874 328 D CB 0.894 41.528 40.800 -0.277 0.000 1.198 328 D HN 0.296 nan 8.370 nan 0.000 0.455 329 D N 1.889 122.378 120.400 0.149 0.000 3.018 329 D HA 0.206 4.855 4.640 0.016 0.000 0.331 329 D C -0.493 175.993 176.300 0.309 0.000 1.334 329 D CA -0.249 53.846 54.000 0.157 0.000 0.900 329 D CB -0.163 40.724 40.800 0.145 0.000 1.059 329 D HN 0.311 nan 8.370 nan 0.000 0.498 330 F N -1.244 118.750 119.950 0.074 0.000 2.678 330 F HA 0.637 5.174 4.527 0.016 0.000 0.308 330 F C -3.146 172.723 175.800 0.114 0.000 1.118 330 F CA -2.243 55.813 58.000 0.094 0.000 0.959 330 F CB 1.454 40.525 39.000 0.118 0.000 1.305 330 F HN -0.303 nan 8.300 nan 0.000 0.443 331 P HA 0.350 nan 4.420 nan 0.000 0.283 331 P C -1.065 176.381 177.300 0.243 0.000 1.278 331 P CA -0.562 62.599 63.100 0.101 0.000 0.834 331 P CB 1.336 33.098 31.700 0.104 0.000 1.150 332 M N 1.468 121.185 119.600 0.196 0.000 2.185 332 M HA 0.203 4.692 4.480 0.016 0.000 0.357 332 M C 1.216 177.676 176.300 0.267 0.000 1.260 332 M CA 0.216 55.740 55.300 0.373 0.000 1.124 332 M CB 0.428 33.148 32.600 0.199 0.000 1.600 332 M HN 0.382 nan 8.290 nan 0.000 0.467 333 K N 0.969 121.513 120.400 0.240 0.000 2.262 333 K HA -0.029 4.301 4.320 0.016 0.000 0.200 333 K C -0.312 176.349 176.600 0.101 0.000 1.049 333 K CA 0.915 57.234 56.287 0.054 0.000 0.979 333 K CB 0.346 32.770 32.500 -0.128 0.000 0.773 333 K HN 0.864 nan 8.250 nan 0.000 0.474 334 D N -3.015 117.491 120.400 0.177 0.000 2.893 334 D HA -0.009 4.641 4.640 0.016 0.000 0.346 334 D C 0.415 176.813 176.300 0.164 0.000 1.402 334 D CA -0.735 53.351 54.000 0.143 0.000 0.815 334 D CB -0.006 40.859 40.800 0.109 0.000 1.403 334 D HN -0.218 nan 8.370 nan 0.000 0.484 335 L N -0.117 121.180 121.223 0.124 0.000 2.027 335 L HA 0.054 4.404 4.340 0.016 0.000 0.206 335 L C 2.388 179.319 176.870 0.102 0.000 1.074 335 L CA 0.891 55.798 54.840 0.111 0.000 0.745 335 L CB -0.594 41.523 42.059 0.097 0.000 0.898 335 L HN 0.419 nan 8.230 nan 0.000 0.433 336 I N -0.515 120.120 120.570 0.109 0.000 2.151 336 I HA -0.380 3.800 4.170 0.016 0.000 0.243 336 I C 2.686 178.895 176.117 0.153 0.000 1.080 336 I CA 1.657 63.014 61.300 0.095 0.000 1.339 336 I CB -0.509 37.584 38.000 0.155 0.000 1.039 336 I HN 0.316 nan 8.210 nan 0.000 0.409 337 H N 1.257 120.405 119.070 0.130 0.000 2.290 337 H HA -0.222 4.344 4.556 0.016 0.000 0.298 337 H C 2.112 177.508 175.328 0.114 0.000 1.087 337 H CA 2.061 58.213 56.048 0.172 0.000 1.291 337 H CB -0.432 29.428 29.762 0.164 0.000 1.369 337 H HN 0.267 nan 8.280 nan 0.000 0.492 338 L N -0.390 120.827 121.223 -0.009 0.000 2.021 338 L HA -0.270 4.080 4.340 0.016 0.000 0.215 338 L C 2.327 179.028 176.870 -0.282 0.000 1.074 338 L CA 2.075 56.835 54.840 -0.133 0.000 0.760 338 L CB -0.538 41.519 42.059 -0.004 0.000 0.889 338 L HN 0.294 nan 8.230 nan 0.000 0.433 339 S N -1.161 114.407 115.700 -0.219 0.000 2.356 339 S HA -0.198 4.282 4.470 0.016 0.000 0.223 339 S C 1.826 176.163 174.600 -0.439 0.000 1.032 339 S CA 1.103 59.093 58.200 -0.350 0.000 1.005 339 S CB -0.579 62.572 63.200 -0.083 0.000 0.867 339 S HN 0.576 nan 8.310 nan 0.000 0.449 340 H N 1.348 120.289 119.070 -0.216 0.000 2.352 340 H HA -0.038 4.528 4.556 0.017 0.000 0.299 340 H C 2.430 177.410 175.328 -0.581 0.000 1.097 340 H CA 1.781 57.612 56.048 -0.362 0.000 1.311 340 H CB -0.832 28.939 29.762 0.015 0.000 1.377 340 H HN 0.356 nan 8.280 nan 0.000 0.504 341 T N 1.044 115.458 114.554 -0.233 0.000 2.746 341 T HA -0.112 4.248 4.350 0.016 0.000 0.267 341 T C 2.064 176.642 174.700 -0.204 0.000 1.039 341 T CA 1.098 63.102 62.100 -0.160 0.000 1.142 341 T CB 0.003 68.754 68.868 -0.196 0.000 0.866 341 T HN 0.137 nan 8.240 nan 0.000 0.444 342 M N 0.193 119.542 119.600 -0.418 0.000 2.476 342 M HA 0.289 4.779 4.480 0.016 0.000 0.262 342 M C 1.970 178.162 176.300 -0.179 0.000 1.111 342 M CA 0.494 55.547 55.300 -0.412 0.000 1.127 342 M CB -1.000 31.076 32.600 -0.873 0.000 1.376 342 M HN 0.183 nan 8.290 nan 0.000 0.465 343 L N -0.136 120.924 121.223 -0.271 0.000 2.168 343 L HA -0.061 4.289 4.340 0.016 0.000 0.203 343 L C 2.015 179.067 176.870 0.304 0.000 1.078 343 L CA 2.107 57.020 54.840 0.122 0.000 0.780 343 L CB -0.519 41.596 42.059 0.094 0.000 0.939 343 L HN 0.521 nan 8.230 nan 0.000 0.451 344 H N -3.478 115.782 119.070 0.316 0.000 3.207 344 H HA 0.588 5.154 4.556 0.016 0.000 0.237 344 H C 1.094 176.727 175.328 0.507 0.000 0.959 344 H CA 0.037 56.333 56.048 0.414 0.000 1.091 344 H CB -0.558 29.343 29.762 0.231 0.000 1.447 344 H HN 0.253 nan 8.280 nan 0.000 0.477 345 G N 1.324 110.326 108.800 0.336 0.000 2.645 345 G HA2 -0.372 3.598 3.960 0.016 0.000 0.246 345 G HA3 -0.372 3.598 3.960 0.016 0.000 0.246 345 G C 0.623 175.873 174.900 0.583 0.000 1.322 345 G CA 0.580 45.901 45.100 0.368 0.000 0.898 345 G HN 0.694 nan 8.290 nan 0.000 0.573 346 D N -0.248 120.350 120.400 0.330 0.000 2.323 346 D HA 0.352 5.002 4.640 0.016 0.000 0.209 346 D C 1.875 178.178 176.300 0.005 0.000 0.973 346 D CA 1.934 56.088 54.000 0.258 0.000 0.874 346 D CB -0.179 40.679 40.800 0.097 0.000 0.930 346 D HN 2.207 nan 8.370 nan 0.000 0.521 347 G N -0.440 108.206 108.800 -0.255 0.000 2.307 347 G HA2 -0.314 3.656 3.960 0.016 0.000 0.210 347 G HA3 -0.314 3.656 3.960 0.016 0.000 0.210 347 G C 1.315 175.618 174.900 -0.995 0.000 1.005 347 G CA 0.711 45.230 45.100 -0.968 0.000 0.634 347 G HN 0.571 nan 8.290 nan 0.000 0.496 348 T N -2.126 111.979 114.554 -0.748 0.000 3.055 348 T HA 0.184 4.543 4.350 0.016 0.000 0.265 348 T C 1.228 175.716 174.700 -0.353 0.000 1.111 348 T CA 1.643 63.368 62.100 -0.626 0.000 1.118 348 T CB 0.004 68.668 68.868 -0.339 0.000 0.909 348 T HN 0.422 nan 8.240 nan 0.000 0.501 349 N N 0.871 119.396 118.700 -0.293 0.000 2.365 349 N HA 0.138 4.888 4.740 0.016 0.000 0.257 349 N C -1.019 174.323 175.510 -0.280 0.000 1.287 349 N CA -0.384 52.542 53.050 -0.206 0.000 0.882 349 N CB 0.353 38.792 38.487 -0.081 0.000 1.250 349 N HN 0.198 nan 8.380 nan 0.000 0.507 350 R N 0.791 121.009 120.500 -0.469 0.000 2.522 350 R HA 0.102 4.452 4.340 0.016 0.000 0.283 350 R C -1.280 174.610 176.300 -0.683 0.000 1.074 350 R CA -0.508 55.189 56.100 -0.672 0.000 0.925 350 R CB 0.728 30.312 30.300 -1.194 0.000 1.205 350 R HN 0.222 nan 8.270 nan 0.000 0.436 351 W N 5.647 126.632 121.300 -0.524 0.000 2.497 351 W HA 0.112 4.782 4.660 0.016 0.000 0.354 351 W C -0.475 175.921 176.519 -0.205 0.000 1.111 351 W CA -0.438 56.732 57.345 -0.291 0.000 1.510 351 W CB 0.133 29.500 29.460 -0.157 0.000 1.466 351 W HN 0.631 nan 8.180 nan 0.000 0.409 352 F N 1.893 121.741 119.950 -0.169 0.000 2.365 352 F HA -0.168 4.368 4.527 0.016 0.000 0.300 352 F C 1.946 177.750 175.800 0.006 0.000 1.090 352 F CA 0.890 58.872 58.000 -0.029 0.000 1.408 352 F CB -0.429 38.574 39.000 0.005 0.000 1.060 352 F HN 0.142 nan 8.300 nan 0.000 0.534 353 D N 0.443 120.807 120.400 -0.060 0.000 2.219 353 D HA -0.108 4.542 4.640 0.016 0.000 0.205 353 D C 1.147 177.617 176.300 0.282 0.000 0.970 353 D CA 0.801 54.866 54.000 0.108 0.000 0.851 353 D CB -0.257 40.592 40.800 0.082 0.000 0.943 353 D HN 0.120 nan 8.370 nan 0.000 0.488 354 K N 0.602 121.239 120.400 0.394 0.000 2.494 354 K HA -0.049 4.281 4.320 0.016 0.000 0.273 354 K C 1.493 178.230 176.600 0.228 0.000 0.970 354 K CA 0.264 56.751 56.287 0.334 0.000 0.963 354 K CB 0.732 33.416 32.500 0.306 0.000 0.913 354 K HN -0.088 nan 8.250 nan 0.000 0.502 355 S N 3.366 119.090 115.700 0.041 0.000 2.374 355 S HA -0.140 4.340 4.470 0.016 0.000 0.227 355 S C 0.474 175.282 174.600 0.346 0.000 1.037 355 S CA 1.360 59.502 58.200 -0.096 0.000 1.024 355 S CB -0.688 62.179 63.200 -0.555 0.000 0.861 355 S HN 0.579 nan 8.310 nan 0.000 0.456 356 F N -1.620 118.421 119.950 0.152 0.000 2.877 356 F HA 0.660 5.197 4.527 0.017 0.000 0.319 356 F C -1.621 174.341 175.800 0.269 0.000 1.174 356 F CA -1.475 56.694 58.000 0.282 0.000 0.903 356 F CB 0.718 39.842 39.000 0.207 0.000 1.357 356 F HN -0.149 nan 8.300 nan 0.000 0.472 357 N N 1.616 120.640 118.700 0.539 0.000 2.346 357 N HA 0.435 5.185 4.740 0.016 0.000 0.289 357 N C -2.137 173.693 175.510 0.533 0.000 1.027 357 N CA -0.449 52.809 53.050 0.347 0.000 0.864 357 N CB 2.710 41.324 38.487 0.212 0.000 1.370 357 N HN 0.708 nan 8.380 nan 0.000 0.481 358 L N 4.525 126.038 121.223 0.484 0.000 2.259 358 L HA 0.513 4.863 4.340 0.016 0.000 0.288 358 L C -0.777 176.284 176.870 0.317 0.000 1.051 358 L CA -0.313 54.814 54.840 0.478 0.000 0.824 358 L CB -0.057 42.316 42.059 0.523 0.000 1.206 358 L HN 0.408 nan 8.230 nan 0.000 0.429 359 I N 5.951 126.687 120.570 0.277 0.000 2.304 359 I HA 0.337 4.517 4.170 0.016 0.000 0.291 359 I C -0.549 175.655 176.117 0.145 0.000 1.018 359 I CA -0.443 60.957 61.300 0.167 0.000 1.260 359 I CB 1.335 39.409 38.000 0.125 0.000 1.390 359 I HN 0.232 nan 8.210 nan 0.000 0.475 360 V N 6.515 126.487 119.914 0.097 0.000 2.407 360 V HA 0.625 4.755 4.120 0.016 0.000 0.291 360 V C 0.534 176.626 176.094 -0.004 0.000 1.018 360 V CA -0.504 61.834 62.300 0.062 0.000 0.842 360 V CB 1.186 33.053 31.823 0.073 0.000 0.996 360 V HN 0.867 nan 8.190 nan 0.000 0.426 361 A N 3.340 126.129 122.820 -0.052 0.000 2.388 361 A HA 0.473 4.802 4.320 0.016 0.000 0.280 361 A C 1.255 178.787 177.584 -0.087 0.000 1.377 361 A CA 0.058 52.006 52.037 -0.148 0.000 0.863 361 A CB 0.350 19.189 19.000 -0.268 0.000 1.416 361 A HN 0.827 nan 8.150 nan 0.000 0.517 362 E N -0.824 119.310 120.200 -0.109 0.000 2.170 362 E HA -0.152 4.208 4.350 0.016 0.000 0.191 362 E C 0.318 176.914 176.600 -0.005 0.000 0.981 362 E CA 1.194 57.574 56.400 -0.034 0.000 0.830 362 E CB -0.074 29.621 29.700 -0.008 0.000 0.775 362 E HN 0.717 nan 8.360 nan 0.000 0.470 363 D N -1.104 119.294 120.400 -0.004 0.000 2.325 363 D HA 0.086 4.736 4.640 0.016 0.000 0.234 363 D C 1.042 177.358 176.300 0.027 0.000 1.122 363 D CA 0.593 54.605 54.000 0.021 0.000 0.850 363 D CB 0.113 40.936 40.800 0.037 0.000 0.921 363 D HN 0.241 nan 8.370 nan 0.000 0.513 364 G N -0.231 108.579 108.800 0.017 0.000 2.168 364 G HA2 -0.300 3.670 3.960 0.016 0.000 0.257 364 G HA3 -0.300 3.670 3.960 0.016 0.000 0.257 364 G C 0.367 175.299 174.900 0.053 0.000 0.997 364 G CA 0.458 45.577 45.100 0.031 0.000 0.708 364 G HN 0.445 nan 8.290 nan 0.000 0.520 365 T N 1.090 115.673 114.554 0.049 0.000 2.853 365 T HA 0.551 4.911 4.350 0.016 0.000 0.298 365 T C 0.599 175.362 174.700 0.104 0.000 0.978 365 T CA 0.916 63.066 62.100 0.085 0.000 1.152 365 T CB 1.295 70.198 68.868 0.058 0.000 0.914 365 T HN 1.392 nan 8.240 nan 0.000 0.539 366 A N 2.413 125.353 122.820 0.200 0.000 2.423 366 A HA 0.986 5.316 4.320 0.016 0.000 0.304 366 A C -0.394 177.456 177.584 0.444 0.000 1.104 366 A CA -0.599 51.603 52.037 0.275 0.000 0.757 366 A CB 1.648 20.783 19.000 0.225 0.000 1.313 366 A HN 1.089 nan 8.150 nan 0.000 0.423 367 A N -0.273 122.805 122.820 0.429 0.000 2.529 367 A HA 0.776 5.106 4.320 0.016 0.000 0.296 367 A C -1.680 176.174 177.584 0.449 0.000 1.205 367 A CA -0.420 51.877 52.037 0.434 0.000 0.671 367 A CB 0.851 20.061 19.000 0.349 0.000 1.301 367 A HN 1.497 nan 8.150 nan 0.000 0.450 368 V N 1.892 122.083 119.914 0.461 0.000 2.443 368 V HA 0.412 4.542 4.120 0.016 0.000 0.293 368 V C -0.902 175.526 176.094 0.556 0.000 1.021 368 V CA -0.476 62.112 62.300 0.479 0.000 0.848 368 V CB 1.372 33.410 31.823 0.360 0.000 0.998 368 V HN 0.910 nan 8.190 nan 0.000 0.424 369 H N 6.175 125.533 119.070 0.481 0.000 2.459 369 H HA 0.636 5.202 4.556 0.016 0.000 0.332 369 H C -1.401 174.252 175.328 0.542 0.000 1.094 369 H CA -0.726 55.593 56.048 0.452 0.000 1.224 369 H CB 1.552 31.516 29.762 0.337 0.000 1.449 369 H HN 0.586 nan 8.280 nan 0.000 0.484 370 F N 2.317 122.346 119.950 0.131 0.000 2.578 370 F HA 0.392 4.929 4.527 0.016 0.000 0.311 370 F C -0.315 175.584 175.800 0.165 0.000 1.094 370 F CA -1.198 56.963 58.000 0.267 0.000 0.923 370 F CB 1.213 40.334 39.000 0.203 0.000 1.230 370 F HN 0.286 nan 8.300 nan 0.000 0.450 371 E N 1.756 122.195 120.200 0.399 0.000 2.398 371 E HA -0.006 4.353 4.350 0.016 0.000 0.263 371 E C -0.316 176.346 176.600 0.104 0.000 1.046 371 E CA 0.316 56.880 56.400 0.273 0.000 0.908 371 E CB 0.481 30.433 29.700 0.419 0.000 0.963 371 E HN 0.839 nan 8.360 nan 0.000 0.431 372 H N 1.650 120.588 119.070 -0.220 0.000 2.654 372 H HA 0.044 4.609 4.556 0.016 0.000 0.264 372 H C 1.861 176.632 175.328 -0.929 0.000 0.954 372 H CA 1.112 56.834 56.048 -0.544 0.000 1.199 372 H CB 0.489 29.968 29.762 -0.471 0.000 1.446 372 H HN 0.482 nan 8.280 nan 0.000 0.516 373 S N 1.096 116.464 115.700 -0.552 0.000 2.370 373 S HA -0.164 4.316 4.470 0.016 0.000 0.226 373 S C 2.130 176.676 174.600 -0.089 0.000 1.033 373 S CA 1.376 59.263 58.200 -0.523 0.000 1.011 373 S CB -1.022 62.116 63.200 -0.104 0.000 0.852 373 S HN 0.708 nan 8.310 nan 0.000 0.457 374 W N 2.697 123.994 121.300 -0.004 0.000 2.584 374 W HA 0.463 5.133 4.660 0.016 0.000 0.264 374 W C 0.524 177.131 176.519 0.147 0.000 1.264 374 W CA 0.185 57.596 57.345 0.109 0.000 1.306 374 W CB -0.858 28.586 29.460 -0.027 0.000 1.110 374 W HN 0.475 nan 8.180 nan 0.000 0.606 375 G N 0.206 108.516 108.800 -0.817 0.000 2.646 375 G HA2 0.185 4.155 3.960 0.016 0.000 0.291 375 G HA3 0.185 4.155 3.960 0.016 0.000 0.291 375 G C -0.770 173.796 174.900 -0.557 0.000 1.445 375 G CA -0.462 44.150 45.100 -0.813 0.000 0.814 375 G HN -0.085 nan 8.290 nan 0.000 0.495 376 D N -0.310 119.896 120.400 -0.324 0.000 2.398 376 D HA 0.220 4.870 4.640 0.016 0.000 0.210 376 D C 1.684 177.884 176.300 -0.167 0.000 1.094 376 D CA 0.928 54.882 54.000 -0.076 0.000 0.839 376 D CB 0.877 41.679 40.800 0.003 0.000 0.963 376 D HN 1.255 nan 8.370 nan 0.000 0.506 377 G N 1.231 109.792 108.800 -0.399 0.000 2.147 377 G HA2 -0.299 3.671 3.960 0.016 0.000 0.244 377 G HA3 -0.299 3.671 3.960 0.016 0.000 0.244 377 G C 1.115 175.846 174.900 -0.283 0.000 1.005 377 G CA 0.401 45.223 45.100 -0.462 0.000 0.713 377 G HN 0.295 nan 8.290 nan 0.000 0.515 378 V N 0.391 120.188 119.914 -0.194 0.000 2.331 378 V HA 0.116 4.246 4.120 0.016 0.000 0.242 378 V C 3.180 179.228 176.094 -0.077 0.000 1.034 378 V CA 2.586 64.834 62.300 -0.088 0.000 1.027 378 V CB -0.897 30.921 31.823 -0.009 0.000 0.667 378 V HN 0.931 nan 8.190 nan 0.000 0.457 379 A N 0.146 122.845 122.820 -0.201 0.000 1.940 379 A HA -0.234 4.096 4.320 0.016 0.000 0.221 379 A C 2.339 179.785 177.584 -0.230 0.000 1.190 379 A CA 2.578 54.371 52.037 -0.407 0.000 0.647 379 A CB -0.820 17.616 19.000 -0.939 0.000 0.821 379 A HN 0.368 nan 8.150 nan 0.000 0.457 380 V N -0.812 118.888 119.914 -0.356 0.000 2.453 380 V HA -0.167 3.963 4.120 0.016 0.000 0.247 380 V C 2.414 178.405 176.094 -0.172 0.000 1.048 380 V CA 1.664 63.730 62.300 -0.390 0.000 1.049 380 V CB -0.706 30.597 31.823 -0.867 0.000 0.672 380 V HN 0.547 nan 8.190 nan 0.000 0.457 381 L N 0.463 121.580 121.223 -0.177 0.000 2.083 381 L HA -0.112 4.238 4.340 0.016 0.000 0.209 381 L C 2.524 179.449 176.870 0.092 0.000 1.083 381 L CA 1.953 56.744 54.840 -0.081 0.000 0.752 381 L CB -0.668 41.324 42.059 -0.112 0.000 0.899 381 L HN 0.242 nan 8.230 nan 0.000 0.433 382 R N -0.902 119.687 120.500 0.148 0.000 2.070 382 R HA -0.229 4.121 4.340 0.016 0.000 0.233 382 R C 2.238 178.728 176.300 0.317 0.000 1.137 382 R CA 2.123 58.395 56.100 0.288 0.000 0.945 382 R CB -1.138 29.430 30.300 0.446 0.000 0.845 382 R HN 0.393 nan 8.270 nan 0.000 0.430 383 F N 0.032 119.987 119.950 0.009 0.000 2.095 383 F HA -0.157 4.380 4.527 0.017 0.000 0.298 383 F C 1.882 177.627 175.800 -0.091 0.000 1.104 383 F CA 1.758 59.544 58.000 -0.356 0.000 1.232 383 F CB -0.720 37.879 39.000 -0.668 0.000 0.987 383 F HN 0.122 nan 8.300 nan 0.000 0.475 384 F N 1.201 121.045 119.950 -0.177 0.000 2.161 384 F HA -0.264 4.272 4.527 0.016 0.000 0.300 384 F C 2.128 177.937 175.800 0.014 0.000 1.089 384 F CA 1.948 59.848 58.000 -0.166 0.000 1.282 384 F CB -0.502 38.354 39.000 -0.240 0.000 1.010 384 F HN -0.012 nan 8.300 nan 0.000 0.485 385 N N 0.258 119.113 118.700 0.258 0.000 2.148 385 N HA -0.131 4.619 4.740 0.016 0.000 0.186 385 N C 1.807 177.449 175.510 0.219 0.000 1.031 385 N CA 1.324 54.532 53.050 0.263 0.000 0.848 385 N CB -0.510 38.114 38.487 0.228 0.000 1.005 385 N HN 0.261 nan 8.380 nan 0.000 0.427 386 E N 0.660 120.977 120.200 0.195 0.000 2.058 386 E HA -0.108 4.252 4.350 0.016 0.000 0.194 386 E C 2.066 178.715 176.600 0.081 0.000 0.997 386 E CA 0.718 57.236 56.400 0.197 0.000 0.801 386 E CB -0.479 29.462 29.700 0.401 0.000 0.746 386 E HN 0.114 nan 8.360 nan 0.000 0.450 387 V N 1.048 120.914 119.914 -0.080 0.000 2.407 387 V HA -0.218 3.911 4.120 0.016 0.000 0.248 387 V C 2.103 178.108 176.094 -0.149 0.000 1.055 387 V CA 1.631 63.802 62.300 -0.215 0.000 1.049 387 V CB -0.542 30.929 31.823 -0.586 0.000 0.662 387 V HN 0.145 nan 8.190 nan 0.000 0.455 388 F N 1.005 120.854 119.950 -0.168 0.000 2.128 388 F HA -0.086 4.450 4.527 0.016 0.000 0.295 388 F C 2.584 178.326 175.800 -0.096 0.000 1.100 388 F CA 1.988 59.886 58.000 -0.170 0.000 1.260 388 F CB -0.361 38.680 39.000 0.068 0.000 1.009 388 F HN -0.094 nan 8.300 nan 0.000 0.476 389 R N 0.379 120.900 120.500 0.034 0.000 2.103 389 R HA -0.259 4.091 4.340 0.016 0.000 0.234 389 R C 2.085 178.295 176.300 -0.150 0.000 1.132 389 R CA 2.467 58.533 56.100 -0.057 0.000 0.925 389 R CB -1.056 29.292 30.300 0.079 0.000 0.842 389 R HN 0.347 nan 8.270 nan 0.000 0.430 390 D N -0.429 119.922 120.400 -0.081 0.000 2.158 390 D HA -0.159 4.490 4.640 0.016 0.000 0.197 390 D C 1.932 178.150 176.300 -0.136 0.000 0.995 390 D CA 1.968 55.922 54.000 -0.078 0.000 0.846 390 D CB -0.020 40.767 40.800 -0.023 0.000 0.941 390 D HN 0.375 nan 8.370 nan 0.000 0.456 391 S N -1.711 113.866 115.700 -0.206 0.000 2.436 391 S HA -0.099 4.381 4.470 0.016 0.000 0.228 391 S C 1.999 176.428 174.600 -0.286 0.000 1.014 391 S CA 1.459 59.528 58.200 -0.219 0.000 0.950 391 S CB -0.565 62.477 63.200 -0.262 0.000 0.784 391 S HN 0.388 nan 8.310 nan 0.000 0.504 392 T N -0.454 113.854 114.554 -0.409 0.000 2.976 392 T HA 0.153 4.513 4.350 0.016 0.000 0.257 392 T C 1.842 176.336 174.700 -0.344 0.000 1.051 392 T CA 0.413 62.243 62.100 -0.450 0.000 1.141 392 T CB -0.412 68.061 68.868 -0.658 0.000 0.881 392 T HN 0.462 nan 8.240 nan 0.000 0.461 393 Q N 0.769 120.414 119.800 -0.258 0.000 2.402 393 Q HA 0.168 4.518 4.340 0.016 0.000 0.206 393 Q C 0.189 176.109 176.000 -0.134 0.000 0.919 393 Q CA 0.618 56.316 55.803 -0.175 0.000 0.923 393 Q CB 0.653 29.322 28.738 -0.116 0.000 1.048 393 Q HN 0.432 nan 8.270 nan 0.000 0.515 394 T N 1.346 115.822 114.554 -0.130 0.000 3.866 394 T HA 0.246 4.606 4.350 0.016 0.000 0.241 394 T C -2.692 171.968 174.700 -0.068 0.000 1.017 394 T CA -0.977 61.077 62.100 -0.077 0.000 1.300 394 T CB 0.837 69.681 68.868 -0.039 0.000 0.968 394 T HN -0.065 nan 8.240 nan 0.000 0.595 395 P HA 0.193 nan 4.420 nan 0.000 0.265 395 P C 0.704 178.016 177.300 0.021 0.000 1.187 395 P CA 0.070 63.158 63.100 -0.021 0.000 0.766 395 P CB 0.634 32.364 31.700 0.049 0.000 0.820 396 A N 3.886 126.723 122.820 0.028 0.000 2.030 396 A HA 0.144 4.473 4.320 0.016 0.000 0.215 396 A C 1.028 178.632 177.584 0.034 0.000 1.164 396 A CA 0.947 53.000 52.037 0.026 0.000 0.697 396 A CB -0.729 18.284 19.000 0.022 0.000 0.827 396 A HN 0.654 nan 8.150 nan 0.000 0.457 397 I N -4.118 116.484 120.570 0.054 0.000 3.239 397 I HA 0.734 4.914 4.170 0.016 0.000 0.314 397 I C -0.436 175.727 176.117 0.076 0.000 1.126 397 I CA -0.612 60.711 61.300 0.040 0.000 0.973 397 I CB 2.278 40.281 38.000 0.005 0.000 1.252 397 I HN 0.004 nan 8.210 nan 0.000 0.463 398 T N -1.639 112.913 114.554 -0.004 0.000 2.924 398 T HA 0.584 4.943 4.350 0.016 0.000 0.291 398 T C -2.401 172.144 174.700 -0.258 0.000 1.045 398 T CA -1.988 60.046 62.100 -0.110 0.000 1.015 398 T CB 1.663 70.516 68.868 -0.026 0.000 1.103 398 T HN 0.493 nan 8.240 nan 0.000 0.496 399 P HA 0.023 nan 4.420 nan 0.000 0.236 399 P C 0.855 178.038 177.300 -0.195 0.000 1.172 399 P CA 0.733 63.620 63.100 -0.356 0.000 0.759 399 P CB 0.121 31.552 31.700 -0.448 0.000 0.843 400 Q N -1.250 118.456 119.800 -0.156 0.000 2.178 400 Q HA 0.122 4.471 4.340 0.016 0.000 0.195 400 Q C 0.675 176.631 176.000 -0.074 0.000 0.960 400 Q CA 0.341 56.088 55.803 -0.093 0.000 0.843 400 Q CB -0.819 27.878 28.738 -0.070 0.000 0.927 400 Q HN -0.027 nan 8.270 nan 0.000 0.487 401 S N 2.256 117.915 115.700 -0.069 0.000 3.566 401 S HA -0.121 4.359 4.470 0.016 0.000 0.426 401 S C -0.213 174.355 174.600 -0.053 0.000 1.154 401 S CA 0.192 58.361 58.200 -0.052 0.000 0.946 401 S CB -0.031 63.141 63.200 -0.046 0.000 0.666 401 S HN 0.148 nan 8.310 nan 0.000 0.494 402 Q N 3.554 123.326 119.800 -0.047 0.000 2.307 402 Q HA 0.249 4.599 4.340 0.016 0.000 0.259 402 Q C -2.191 173.774 176.000 -0.058 0.000 0.998 402 Q CA -2.149 53.624 55.803 -0.049 0.000 0.923 402 Q CB 0.213 28.925 28.738 -0.042 0.000 1.196 402 Q HN 0.384 nan 8.270 nan 0.000 0.416 403 P HA -0.053 nan 4.420 nan 0.000 0.264 403 P C -0.634 176.607 177.300 -0.099 0.000 1.183 403 P CA 0.157 63.203 63.100 -0.090 0.000 0.763 403 P CB 0.446 32.091 31.700 -0.091 0.000 0.807 404 A N 3.468 126.215 122.820 -0.122 0.000 2.561 404 A HA 0.347 4.677 4.320 0.016 0.000 0.234 404 A C 0.670 178.175 177.584 -0.132 0.000 1.055 404 A CA 0.256 52.220 52.037 -0.122 0.000 0.756 404 A CB -0.390 18.526 19.000 -0.141 0.000 0.986 404 A HN 0.612 nan 8.150 nan 0.000 0.505 405 A N 2.399 125.159 122.820 -0.100 0.000 2.404 405 A HA 0.584 4.914 4.320 0.016 0.000 0.273 405 A C 0.475 177.994 177.584 -0.108 0.000 1.144 405 A CA 0.750 52.732 52.037 -0.093 0.000 0.806 405 A CB -0.018 18.943 19.000 -0.065 0.000 1.080 405 A HN 1.367 nan 8.150 nan 0.000 0.509 406 T N 1.137 115.615 114.554 -0.127 0.000 2.733 406 T HA 0.260 4.620 4.350 0.016 0.000 0.312 406 T C -1.361 173.266 174.700 -0.121 0.000 1.590 406 T CA -0.711 61.315 62.100 -0.123 0.000 1.005 406 T CB 1.036 69.807 68.868 -0.161 0.000 1.528 406 T HN 0.567 nan 8.240 nan 0.000 0.496 407 N N 1.554 120.204 118.700 -0.083 0.000 2.767 407 N HA 0.358 5.108 4.740 0.016 0.000 0.238 407 N C 1.049 176.485 175.510 -0.122 0.000 1.083 407 N CA 0.127 53.119 53.050 -0.097 0.000 0.964 407 N CB 0.441 38.888 38.487 -0.066 0.000 1.252 407 N HN 0.442 nan 8.380 nan 0.000 0.512 408 S N 0.879 116.426 115.700 -0.256 0.000 2.353 408 S HA -0.174 4.306 4.470 0.016 0.000 0.222 408 S C 1.842 176.129 174.600 -0.522 0.000 1.035 408 S CA 1.808 59.739 58.200 -0.449 0.000 1.025 408 S CB -0.172 62.366 63.200 -1.104 0.000 0.902 408 S HN 0.778 nan 8.310 nan 0.000 0.440 409 S N 1.878 117.289 115.700 -0.481 0.000 2.440 409 S HA -0.072 4.408 4.470 0.016 0.000 0.240 409 S C 1.724 176.278 174.600 -0.075 0.000 1.014 409 S CA 0.968 59.076 58.200 -0.154 0.000 0.980 409 S CB -0.417 62.769 63.200 -0.023 0.000 0.775 409 S HN 0.571 nan 8.310 nan 0.000 0.499 410 A N 0.675 123.435 122.820 -0.100 0.000 2.115 410 A HA 0.393 4.722 4.320 0.016 0.000 0.211 410 A C 2.184 179.724 177.584 -0.074 0.000 1.169 410 A CA 0.627 52.626 52.037 -0.063 0.000 0.787 410 A CB -0.142 18.828 19.000 -0.050 0.000 0.858 410 A HN 0.458 nan 8.150 nan 0.000 0.474 411 S N -0.557 115.069 115.700 -0.123 0.000 2.412 411 S HA 0.085 4.565 4.470 0.016 0.000 0.223 411 S C 0.618 175.110 174.600 -0.180 0.000 1.048 411 S CA 0.272 58.366 58.200 -0.176 0.000 0.954 411 S CB -0.046 62.983 63.200 -0.286 0.000 0.840 411 S HN 0.175 nan 8.310 nan 0.000 0.503 412 V N 3.718 123.511 119.914 -0.201 0.000 2.381 412 V HA 0.169 4.298 4.120 0.016 0.000 0.257 412 V C 0.361 176.516 176.094 0.101 0.000 1.057 412 V CA -0.180 62.133 62.300 0.021 0.000 1.013 412 V CB 0.053 31.939 31.823 0.104 0.000 1.069 412 V HN 0.349 nan 8.190 nan 0.000 0.484 413 E N 3.065 123.318 120.200 0.089 0.000 2.354 413 E HA 0.212 4.572 4.350 0.016 0.000 0.269 413 E C -0.405 176.280 176.600 0.141 0.000 1.036 413 E CA -0.260 56.181 56.400 0.067 0.000 0.876 413 E CB 0.912 30.603 29.700 -0.015 0.000 1.009 413 E HN 0.653 nan 8.360 nan 0.000 0.416 414 T N 4.702 119.314 114.554 0.096 0.000 2.758 414 T HA 0.311 4.671 4.350 0.016 0.000 0.285 414 T C 0.265 174.918 174.700 -0.077 0.000 0.981 414 T CA -0.570 61.553 62.100 0.037 0.000 0.965 414 T CB 0.408 69.311 68.868 0.058 0.000 0.927 414 T HN 0.340 nan 8.240 nan 0.000 0.448 415 L N 2.374 123.516 121.223 -0.134 0.000 2.464 415 L HA 0.487 4.836 4.340 0.016 0.000 0.264 415 L C 0.749 177.438 176.870 -0.301 0.000 1.199 415 L CA -0.232 54.461 54.840 -0.244 0.000 0.818 415 L CB 0.950 42.843 42.059 -0.277 0.000 1.102 415 L HN 0.568 nan 8.230 nan 0.000 0.473 416 S N 1.081 116.499 115.700 -0.469 0.000 2.619 416 S HA 0.638 5.118 4.470 0.016 0.000 0.280 416 S C -1.075 173.219 174.600 -0.510 0.000 1.150 416 S CA -0.547 57.454 58.200 -0.331 0.000 0.978 416 S CB 0.701 63.793 63.200 -0.180 0.000 1.041 416 S HN 0.298 nan 8.310 nan 0.000 0.485 417 F N 2.911 122.798 119.950 -0.104 0.000 2.507 417 F HA 0.531 5.067 4.527 0.016 0.000 0.327 417 F C 0.487 176.250 175.800 -0.061 0.000 1.068 417 F CA -0.917 57.024 58.000 -0.099 0.000 0.965 417 F CB 1.481 40.403 39.000 -0.129 0.000 1.192 417 F HN 0.574 nan 8.300 nan 0.000 0.476 418 N N 2.478 121.277 118.700 0.165 0.000 2.457 418 N HA 0.399 5.148 4.740 0.016 0.000 0.250 418 N C -1.637 173.910 175.510 0.061 0.000 0.982 418 N CA -0.175 52.925 53.050 0.084 0.000 0.941 418 N CB 0.361 38.879 38.487 0.051 0.000 1.120 418 N HN 0.550 nan 8.380 nan 0.000 0.505 419 L N 3.000 124.226 121.223 0.006 0.000 2.313 419 L HA 0.366 4.715 4.340 0.016 0.000 0.273 419 L C 0.771 177.576 176.870 -0.110 0.000 1.028 419 L CA -0.716 54.075 54.840 -0.081 0.000 0.871 419 L CB 0.691 42.646 42.059 -0.172 0.000 1.242 419 L HN 0.582 nan 8.230 nan 0.000 0.434 420 S N 1.177 116.835 115.700 -0.070 0.000 2.611 420 S HA 0.088 4.568 4.470 0.016 0.000 0.252 420 S C 1.483 176.019 174.600 -0.106 0.000 1.369 420 S CA 0.053 58.216 58.200 -0.060 0.000 0.975 420 S CB 0.668 63.855 63.200 -0.023 0.000 0.937 420 S HN 0.633 nan 8.310 nan 0.000 0.584 421 G N 0.262 109.018 108.800 -0.072 0.000 2.421 421 G HA2 0.046 4.016 3.960 0.016 0.000 0.216 421 G HA3 0.046 4.016 3.960 0.016 0.000 0.216 421 G C 1.623 176.476 174.900 -0.078 0.000 1.171 421 G CA 0.778 45.834 45.100 -0.074 0.000 0.775 421 G HN 1.109 nan 8.290 nan 0.000 0.543 422 A N 0.180 122.971 122.820 -0.049 0.000 1.933 422 A HA 0.131 4.460 4.320 0.016 0.000 0.218 422 A C 2.391 179.950 177.584 -0.042 0.000 1.175 422 A CA 1.239 53.258 52.037 -0.029 0.000 0.628 422 A CB -0.341 18.656 19.000 -0.006 0.000 0.814 422 A HN 0.352 nan 8.150 nan 0.000 0.444 423 L N -1.017 120.164 121.223 -0.071 0.000 2.179 423 L HA -0.070 4.280 4.340 0.016 0.000 0.208 423 L C 2.420 179.174 176.870 -0.194 0.000 1.096 423 L CA 1.115 55.901 54.840 -0.091 0.000 0.779 423 L CB -0.130 41.884 42.059 -0.075 0.000 0.922 423 L HN 0.301 nan 8.230 nan 0.000 0.443 424 K N -0.463 119.734 120.400 -0.339 0.000 2.097 424 K HA -0.108 4.221 4.320 0.016 0.000 0.205 424 K C 2.174 178.694 176.600 -0.134 0.000 1.050 424 K CA 1.136 57.064 56.287 -0.599 0.000 0.938 424 K CB -0.219 31.746 32.500 -0.892 0.000 0.718 424 K HN 0.300 nan 8.250 nan 0.000 0.442 425 A N 1.267 124.046 122.820 -0.068 0.000 1.865 425 A HA -0.125 4.205 4.320 0.016 0.000 0.217 425 A C 2.424 180.015 177.584 0.012 0.000 1.191 425 A CA 2.036 54.076 52.037 0.004 0.000 0.623 425 A CB -1.271 17.727 19.000 -0.003 0.000 0.826 425 A HN 0.426 nan 8.150 nan 0.000 0.444 426 G N -0.615 108.184 108.800 -0.002 0.000 2.471 426 G HA2 -0.071 3.899 3.960 0.016 0.000 0.219 426 G HA3 -0.071 3.899 3.960 0.016 0.000 0.219 426 G C 1.462 176.367 174.900 0.009 0.000 1.125 426 G CA 0.941 46.049 45.100 0.013 0.000 0.775 426 G HN 0.484 nan 8.290 nan 0.000 0.548 427 I N 0.206 120.786 120.570 0.017 0.000 2.353 427 I HA -0.099 4.080 4.170 0.016 0.000 0.248 427 I C 2.881 179.009 176.117 0.019 0.000 1.119 427 I CA 1.351 62.684 61.300 0.055 0.000 1.417 427 I CB -0.141 37.951 38.000 0.154 0.000 1.078 427 I HN 0.166 nan 8.210 nan 0.000 0.421 428 T N 0.059 114.656 114.554 0.072 0.000 2.995 428 T HA 0.022 4.382 4.350 0.016 0.000 0.269 428 T C 1.763 176.418 174.700 -0.075 0.000 1.091 428 T CA 1.231 63.333 62.100 0.002 0.000 1.128 428 T CB 0.037 68.969 68.868 0.107 0.000 0.891 428 T HN 0.399 nan 8.240 nan 0.000 0.492 429 A N 0.440 123.234 122.820 -0.044 0.000 1.975 429 A HA 0.496 4.826 4.320 0.016 0.000 0.215 429 A C 2.612 180.155 177.584 -0.068 0.000 1.170 429 A CA 1.344 53.354 52.037 -0.045 0.000 0.656 429 A CB -0.923 18.069 19.000 -0.014 0.000 0.821 429 A HN 0.561 nan 8.150 nan 0.000 0.449 430 A N 0.287 123.057 122.820 -0.083 0.000 1.873 430 A HA -0.144 4.186 4.320 0.016 0.000 0.215 430 A C 2.117 179.565 177.584 -0.227 0.000 1.186 430 A CA 1.870 53.859 52.037 -0.081 0.000 0.616 430 A CB -0.504 18.474 19.000 -0.036 0.000 0.823 430 A HN 0.497 nan 8.150 nan 0.000 0.442 431 K N -0.445 119.586 120.400 -0.616 0.000 2.089 431 K HA -0.241 4.089 4.320 0.016 0.000 0.210 431 K C 2.018 178.420 176.600 -0.330 0.000 1.048 431 K CA 1.924 57.594 56.287 -1.028 0.000 0.926 431 K CB -0.169 31.755 32.500 -0.960 0.000 0.714 431 K HN 0.594 nan 8.250 nan 0.000 0.448 432 E N 0.316 120.402 120.200 -0.190 0.000 2.076 432 E HA -0.154 4.205 4.350 0.016 0.000 0.190 432 E C 2.044 178.627 176.600 -0.028 0.000 0.979 432 E CA 0.775 57.124 56.400 -0.085 0.000 0.807 432 E CB 0.086 29.741 29.700 -0.074 0.000 0.761 432 E HN 0.287 nan 8.360 nan 0.000 0.454 433 K N 0.222 120.611 120.400 -0.018 0.000 2.097 433 K HA -0.165 4.164 4.320 0.016 0.000 0.206 433 K C 2.059 178.667 176.600 0.013 0.000 1.049 433 K CA 0.868 57.149 56.287 -0.009 0.000 0.933 433 K CB -0.300 32.197 32.500 -0.006 0.000 0.717 433 K HN 0.026 nan 8.250 nan 0.000 0.442 434 F N 2.645 122.552 119.950 -0.072 0.000 2.069 434 F HA -0.255 4.282 4.527 0.016 0.000 0.298 434 F C 1.743 177.516 175.800 -0.046 0.000 1.113 434 F CA 2.094 60.076 58.000 -0.031 0.000 1.214 434 F CB -0.144 38.904 39.000 0.081 0.000 0.978 434 F HN 0.128 nan 8.300 nan 0.000 0.474 435 D N -0.659 119.863 120.400 0.203 0.000 2.264 435 D HA -0.101 4.549 4.640 0.016 0.000 0.208 435 D C 2.183 178.454 176.300 -0.048 0.000 0.966 435 D CA 1.446 55.507 54.000 0.102 0.000 0.864 435 D CB -0.357 40.509 40.800 0.109 0.000 0.933 435 D HN 0.342 nan 8.370 nan 0.000 0.499 436 T N 0.584 115.098 114.554 -0.066 0.000 2.639 436 T HA -0.111 4.248 4.350 0.016 0.000 0.261 436 T C 2.084 176.705 174.700 -0.131 0.000 1.053 436 T CA 1.951 63.999 62.100 -0.085 0.000 1.158 436 T CB -0.659 68.164 68.868 -0.075 0.000 0.863 436 T HN 0.153 nan 8.240 nan 0.000 0.413 437 T N 2.170 116.617 114.554 -0.180 0.000 2.665 437 T HA -0.118 4.242 4.350 0.016 0.000 0.268 437 T C 2.102 176.667 174.700 -0.226 0.000 1.035 437 T CA 1.100 63.073 62.100 -0.212 0.000 1.151 437 T CB -0.807 67.907 68.868 -0.257 0.000 0.862 437 T HN 0.121 nan 8.240 nan 0.000 0.438 438 V N 1.318 121.014 119.914 -0.364 0.000 2.759 438 V HA -0.110 4.020 4.120 0.016 0.000 0.256 438 V C 2.406 178.355 176.094 -0.242 0.000 1.080 438 V CA 1.377 63.407 62.300 -0.450 0.000 1.101 438 V CB -0.509 30.904 31.823 -0.685 0.000 0.698 438 V HN 0.494 nan 8.190 nan 0.000 0.477 439 K N 0.151 120.459 120.400 -0.152 0.000 2.296 439 K HA -0.090 4.240 4.320 0.016 0.000 0.200 439 K C 2.145 178.723 176.600 -0.036 0.000 1.048 439 K CA 1.569 57.804 56.287 -0.087 0.000 0.966 439 K CB -0.199 32.263 32.500 -0.064 0.000 0.754 439 K HN 0.706 nan 8.250 nan 0.000 0.466 440 T N -0.597 113.946 114.554 -0.018 0.000 3.023 440 T HA -0.016 4.344 4.350 0.016 0.000 0.266 440 T C 0.768 175.568 174.700 0.167 0.000 1.093 440 T CA 0.082 62.215 62.100 0.056 0.000 1.129 440 T CB -0.033 68.846 68.868 0.019 0.000 0.899 440 T HN -0.067 nan 8.240 nan 0.000 0.491 441 L N 2.356 123.670 121.223 0.152 0.000 2.350 441 L HA 0.521 4.871 4.340 0.016 0.000 0.275 441 L C -0.769 176.230 176.870 0.215 0.000 1.099 441 L CA 0.040 54.978 54.840 0.164 0.000 0.808 441 L CB 1.374 43.532 42.059 0.166 0.000 1.149 441 L HN 0.148 nan 8.230 nan 0.000 0.442 442 S N 5.741 121.539 115.700 0.163 0.000 2.677 442 S HA 0.655 5.134 4.470 0.016 0.000 0.283 442 S C -0.765 173.894 174.600 0.098 0.000 1.159 442 S CA -0.511 57.805 58.200 0.192 0.000 1.001 442 S CB 0.926 64.207 63.200 0.134 0.000 1.032 442 S HN 0.441 nan 8.310 nan 0.000 0.487 443 I N 2.156 122.756 120.570 0.050 0.000 2.433 443 I HA 0.634 4.814 4.170 0.016 0.000 0.292 443 I C -0.594 175.523 176.117 0.000 0.000 1.001 443 I CA -0.497 60.776 61.300 -0.045 0.000 1.119 443 I CB 1.813 39.699 38.000 -0.191 0.000 1.289 443 I HN 0.431 nan 8.210 nan 0.000 0.438 444 D N 2.557 122.966 120.400 0.015 0.000 2.592 444 D HA 0.664 5.314 4.640 0.016 0.000 0.263 444 D C -1.160 175.152 176.300 0.021 0.000 1.132 444 D CA -0.147 53.868 54.000 0.024 0.000 0.996 444 D CB 2.464 43.281 40.800 0.029 0.000 1.442 444 D HN 0.596 nan 8.370 nan 0.000 0.486 445 S N -0.481 115.240 115.700 0.035 0.000 2.632 445 S HA 0.877 5.357 4.470 0.016 0.000 0.289 445 S C -0.456 174.182 174.600 0.064 0.000 1.115 445 S CA -0.801 57.434 58.200 0.057 0.000 0.889 445 S CB 1.304 64.553 63.200 0.082 0.000 1.116 445 S HN 0.486 nan 8.310 nan 0.000 0.486 446 I N -1.666 118.967 120.570 0.105 0.000 2.865 446 I HA 0.720 4.900 4.170 0.016 0.000 0.302 446 I C -1.511 174.737 176.117 0.219 0.000 1.140 446 I CA -1.085 60.293 61.300 0.129 0.000 1.021 446 I CB 2.247 40.319 38.000 0.120 0.000 1.233 446 I HN 0.526 nan 8.210 nan 0.000 0.427 447 Q N 3.728 123.650 119.800 0.203 0.000 3.064 447 Q HA 0.382 4.732 4.340 0.016 0.000 0.258 447 Q C -1.309 174.845 176.000 0.257 0.000 0.972 447 Q CA -0.277 55.682 55.803 0.260 0.000 0.761 447 Q CB 1.206 29.946 28.738 0.002 0.000 1.281 447 Q HN 0.619 nan 8.270 nan 0.000 0.455 448 F N 1.846 121.928 119.950 0.220 0.000 2.487 448 F HA 0.034 4.569 4.527 0.014 0.000 0.364 448 F C 0.852 176.743 175.800 0.152 0.000 1.126 448 F CA 0.791 58.851 58.000 0.101 0.000 1.135 448 F CB 0.516 39.528 39.000 0.020 0.000 1.127 448 F HN 0.470 nan 8.300 nan 0.000 0.559 449 Q N 3.872 123.496 119.800 -0.292 0.000 2.282 449 Q HA 0.092 4.442 4.340 0.016 0.000 0.206 449 Q C 1.555 177.433 176.000 -0.204 0.000 0.878 449 Q CA -0.098 55.627 55.803 -0.129 0.000 0.944 449 Q CB 0.248 28.898 28.738 -0.145 0.000 1.100 449 Q HN 0.665 nan 8.270 nan 0.000 0.509 450 R N 0.797 120.960 120.500 -0.561 0.000 2.346 450 R HA 0.039 4.389 4.340 0.016 0.000 0.208 450 R C -0.232 176.103 176.300 0.058 0.000 1.052 450 R CA 0.554 56.450 56.100 -0.341 0.000 1.116 450 R CB -0.308 29.653 30.300 -0.566 0.000 1.003 450 R HN 0.261 nan 8.270 nan 0.000 0.482 451 G N -2.628 106.305 108.800 0.221 0.000 2.515 451 G HA2 0.053 4.023 3.960 0.016 0.000 0.686 451 G HA3 0.053 4.023 3.960 0.016 0.000 0.686 451 G C -0.342 174.892 174.900 0.556 0.000 1.274 451 G CA -0.730 44.611 45.100 0.402 0.000 0.874 451 G HN 0.324 nan 8.290 nan 0.000 0.631 452 G N -0.484 108.576 108.800 0.432 0.000 3.420 452 G HA2 0.551 4.520 3.960 0.016 0.000 0.183 452 G HA3 0.551 4.520 3.960 0.016 0.000 0.183 452 G C 1.100 176.143 174.900 0.238 0.000 1.315 452 G CA 0.921 46.219 45.100 0.329 0.000 0.958 452 G HN 0.907 nan 8.290 nan 0.000 0.745 453 K N 0.208 120.686 120.400 0.130 0.000 2.025 453 K HA -0.056 4.274 4.320 0.016 0.000 0.207 453 K C 2.361 179.006 176.600 0.074 0.000 1.049 453 K CA 1.686 58.015 56.287 0.070 0.000 0.933 453 K CB -0.069 32.445 32.500 0.023 0.000 0.714 453 K HN 0.314 nan 8.250 nan 0.000 0.438 454 E N 0.474 120.739 120.200 0.109 0.000 2.026 454 E HA -0.261 4.099 4.350 0.016 0.000 0.206 454 E C 1.856 178.509 176.600 0.088 0.000 1.028 454 E CA 1.597 58.056 56.400 0.098 0.000 0.845 454 E CB -0.737 29.043 29.700 0.134 0.000 0.772 454 E HN 0.365 nan 8.360 nan 0.000 0.462 455 F N 1.573 121.527 119.950 0.007 0.000 2.091 455 F HA -0.213 4.319 4.527 0.009 0.000 0.299 455 F C 2.345 178.070 175.800 -0.124 0.000 1.103 455 F CA 1.468 59.436 58.000 -0.053 0.000 1.228 455 F CB -0.357 38.608 39.000 -0.057 0.000 0.984 455 F HN -0.082 nan 8.300 nan 0.000 0.477 456 L N 0.135 121.273 121.223 -0.141 0.000 2.056 456 L HA -0.215 4.135 4.340 0.016 0.000 0.207 456 L C 2.491 179.215 176.870 -0.244 0.000 1.078 456 L CA 1.622 56.298 54.840 -0.273 0.000 0.749 456 L CB -0.748 41.257 42.059 -0.091 0.000 0.901 456 L HN 0.065 nan 8.230 nan 0.000 0.433 457 K N 0.147 120.464 120.400 -0.140 0.000 2.152 457 K HA -0.205 4.125 4.320 0.016 0.000 0.206 457 K C 2.138 178.651 176.600 -0.144 0.000 1.048 457 K CA 1.297 57.517 56.287 -0.112 0.000 0.933 457 K CB -0.015 32.450 32.500 -0.058 0.000 0.721 457 K HN 0.177 nan 8.250 nan 0.000 0.447 458 K N 0.538 120.822 120.400 -0.192 0.000 2.097 458 K HA -0.086 4.244 4.320 0.016 0.000 0.206 458 K C 1.273 177.722 176.600 -0.251 0.000 1.049 458 K CA 1.076 57.241 56.287 -0.204 0.000 0.933 458 K CB 0.202 32.573 32.500 -0.215 0.000 0.717 458 K HN -0.091 nan 8.250 nan 0.000 0.442 459 K N 1.075 121.252 120.400 -0.373 0.000 2.476 459 K HA 0.032 4.362 4.320 0.016 0.000 0.196 459 K C -0.360 176.117 176.600 -0.204 0.000 1.025 459 K CA 0.290 56.379 56.287 -0.329 0.000 1.138 459 K CB 0.582 32.792 32.500 -0.482 0.000 0.860 459 K HN 0.158 nan 8.250 nan 0.000 0.515 460 Q N -0.070 119.631 119.800 -0.165 0.000 2.460 460 Q HA -0.195 4.155 4.340 0.016 0.000 0.311 460 Q C -0.673 175.264 176.000 -0.106 0.000 1.396 460 Q CA 0.788 56.525 55.803 -0.111 0.000 0.838 460 Q CB -2.210 26.478 28.738 -0.084 0.000 1.140 460 Q HN 0.337 nan 8.270 nan 0.000 0.415 461 L N -0.214 120.937 121.223 -0.120 0.000 2.422 461 L HA 0.451 4.800 4.340 0.016 0.000 0.264 461 L C 0.480 177.299 176.870 -0.085 0.000 0.984 461 L CA -0.796 53.982 54.840 -0.104 0.000 0.819 461 L CB 2.065 44.049 42.059 -0.125 0.000 1.330 461 L HN 0.148 nan 8.230 nan 0.000 0.410 462 S N 2.710 118.372 115.700 -0.063 0.000 2.498 462 S HA 0.183 4.663 4.470 0.016 0.000 0.281 462 S C -1.683 172.883 174.600 -0.058 0.000 1.265 462 S CA -0.884 57.292 58.200 -0.039 0.000 1.071 462 S CB 0.763 63.964 63.200 0.002 0.000 0.894 462 S HN 0.396 nan 8.310 nan 0.000 0.491 463 P HA -0.002 nan 4.420 nan 0.000 0.223 463 P C 0.741 178.008 177.300 -0.055 0.000 1.151 463 P CA 0.771 63.843 63.100 -0.046 0.000 0.787 463 P CB 0.107 31.792 31.700 -0.024 0.000 0.788 464 D N -0.301 120.084 120.400 -0.026 0.000 2.162 464 D HA -0.062 4.588 4.640 0.016 0.000 0.203 464 D C 1.970 178.176 176.300 -0.157 0.000 0.967 464 D CA 1.062 55.070 54.000 0.013 0.000 0.840 464 D CB -0.438 40.429 40.800 0.111 0.000 0.972 464 D HN -0.046 nan 8.370 nan 0.000 0.482 465 A N -0.198 122.467 122.820 -0.258 0.000 1.929 465 A HA -0.041 4.289 4.320 0.016 0.000 0.216 465 A C 2.389 179.726 177.584 -0.411 0.000 1.176 465 A CA 1.031 52.719 52.037 -0.583 0.000 0.628 465 A CB -0.673 18.070 19.000 -0.429 0.000 0.816 465 A HN 0.201 nan 8.150 nan 0.000 0.444 466 V N -0.101 119.646 119.914 -0.278 0.000 2.407 466 V HA -0.265 3.865 4.120 0.016 0.000 0.248 466 V C 3.011 178.875 176.094 -0.383 0.000 1.055 466 V CA 1.925 64.068 62.300 -0.261 0.000 1.049 466 V CB -1.047 30.682 31.823 -0.157 0.000 0.662 466 V HN 0.618 nan 8.190 nan 0.000 0.455 467 A N -1.017 121.541 122.820 -0.438 0.000 1.873 467 A HA -0.203 4.127 4.320 0.016 0.000 0.215 467 A C 2.163 179.041 177.584 -1.177 0.000 1.186 467 A CA 1.338 52.925 52.037 -0.750 0.000 0.616 467 A CB -0.464 18.202 19.000 -0.557 0.000 0.823 467 A HN 0.495 nan 8.150 nan 0.000 0.442 468 Q N -0.851 118.485 119.800 -0.772 0.000 2.181 468 Q HA -0.171 4.179 4.340 0.016 0.000 0.205 468 Q C 2.020 177.778 176.000 -0.403 0.000 0.980 468 Q CA 1.245 56.742 55.803 -0.509 0.000 0.862 468 Q CB -0.572 27.960 28.738 -0.343 0.000 0.905 468 Q HN 0.555 nan 8.270 nan 0.000 0.429 469 L N 0.586 121.553 121.223 -0.427 0.000 2.056 469 L HA -0.065 4.285 4.340 0.016 0.000 0.207 469 L C 2.159 178.825 176.870 -0.340 0.000 1.078 469 L CA 1.973 56.624 54.840 -0.315 0.000 0.749 469 L CB -0.970 40.910 42.059 -0.299 0.000 0.901 469 L HN 0.122 nan 8.230 nan 0.000 0.433 470 A N -0.771 121.747 122.820 -0.502 0.000 1.908 470 A HA -0.210 4.120 4.320 0.016 0.000 0.218 470 A C 2.008 179.435 177.584 -0.261 0.000 1.181 470 A CA 1.895 53.662 52.037 -0.451 0.000 0.627 470 A CB -0.917 17.738 19.000 -0.574 0.000 0.818 470 A HN 0.418 nan 8.150 nan 0.000 0.445 471 F N 0.232 120.080 119.950 -0.169 0.000 2.000 471 F HA -0.200 4.338 4.527 0.018 0.000 0.295 471 F C 2.733 178.585 175.800 0.088 0.000 1.159 471 F CA 1.133 59.111 58.000 -0.035 0.000 1.171 471 F CB -1.487 37.498 39.000 -0.025 0.000 0.971 471 F HN 0.219 nan 8.300 nan 0.000 0.479 472 Q N 0.055 119.994 119.800 0.232 0.000 2.084 472 Q HA -0.347 4.003 4.340 0.016 0.000 0.215 472 Q C 2.325 178.443 176.000 0.198 0.000 1.020 472 Q CA 2.571 58.483 55.803 0.183 0.000 0.887 472 Q CB -1.114 27.674 28.738 0.083 0.000 0.975 472 Q HN 0.518 nan 8.270 nan 0.000 0.413 473 M N -0.336 119.307 119.600 0.072 0.000 2.117 473 M HA -0.144 4.346 4.480 0.016 0.000 0.262 473 M C 2.137 178.484 176.300 0.079 0.000 1.065 473 M CA 1.680 57.000 55.300 0.034 0.000 1.114 473 M CB -0.149 32.385 32.600 -0.112 0.000 1.361 473 M HN 0.261 nan 8.290 nan 0.000 0.408 474 A N -0.138 122.717 122.820 0.057 0.000 1.940 474 A HA -0.216 4.114 4.320 0.016 0.000 0.219 474 A C 1.879 179.607 177.584 0.240 0.000 1.176 474 A CA 1.564 53.606 52.037 0.007 0.000 0.631 474 A CB -1.067 17.754 19.000 -0.298 0.000 0.814 474 A HN 0.607 nan 8.150 nan 0.000 0.446 475 F N -0.301 119.864 119.950 0.358 0.000 2.022 475 F HA -0.093 4.444 4.527 0.016 0.000 0.293 475 F C 1.994 177.986 175.800 0.321 0.000 1.142 475 F CA 1.819 60.108 58.000 0.481 0.000 1.177 475 F CB -0.552 38.687 39.000 0.398 0.000 0.982 475 F HN 0.183 nan 8.300 nan 0.000 0.473 476 L N 1.013 122.484 121.223 0.413 0.000 2.137 476 L HA -0.278 4.072 4.340 0.016 0.000 0.213 476 L C 2.554 179.496 176.870 0.120 0.000 1.085 476 L CA 2.248 57.229 54.840 0.236 0.000 0.760 476 L CB -0.595 41.588 42.059 0.207 0.000 0.893 476 L HN 0.261 nan 8.230 nan 0.000 0.434 477 R N -1.060 119.501 120.500 0.102 0.000 2.189 477 R HA -0.180 4.170 4.340 0.016 0.000 0.223 477 R C 2.178 178.471 176.300 -0.011 0.000 1.092 477 R CA 1.810 57.937 56.100 0.045 0.000 0.989 477 R CB -0.212 30.109 30.300 0.035 0.000 0.876 477 R HN 0.667 nan 8.270 nan 0.000 0.457 478 Q N -1.358 118.412 119.800 -0.050 0.000 2.462 478 Q HA -0.008 4.342 4.340 0.016 0.000 0.224 478 Q C 0.648 176.397 176.000 -0.419 0.000 0.911 478 Q CA 0.288 55.962 55.803 -0.215 0.000 0.925 478 Q CB 0.293 28.908 28.738 -0.205 0.000 1.063 478 Q HN 0.467 nan 8.270 nan 0.000 0.572 479 Y N -0.795 119.339 120.300 -0.276 0.000 2.442 479 Y HA 0.360 4.919 4.550 0.016 0.000 0.250 479 Y C 1.172 176.996 175.900 -0.127 0.000 1.113 479 Y CA 0.476 58.403 58.100 -0.289 0.000 1.273 479 Y CB 1.353 39.429 38.460 -0.640 0.000 1.138 479 Y HN 0.309 nan 8.280 nan 0.000 0.522 480 G N 1.018 109.851 108.800 0.056 0.000 2.176 480 G HA2 -0.256 3.714 3.960 0.016 0.000 0.252 480 G HA3 -0.256 3.714 3.960 0.016 0.000 0.252 480 G C -0.153 174.840 174.900 0.154 0.000 1.024 480 G CA 0.298 45.456 45.100 0.097 0.000 0.755 480 G HN 0.403 nan 8.290 nan 0.000 0.507 481 Q N -1.528 118.423 119.800 0.252 0.000 2.605 481 Q HA 0.752 5.102 4.340 0.016 0.000 0.296 481 Q C -0.627 175.597 176.000 0.373 0.000 1.056 481 Q CA -0.575 55.405 55.803 0.295 0.000 0.778 481 Q CB 1.985 30.915 28.738 0.321 0.000 1.497 481 Q HN 0.192 nan 8.270 nan 0.000 0.443 482 T N 0.909 115.602 114.554 0.231 0.000 2.833 482 T HA 0.591 4.951 4.350 0.016 0.000 0.297 482 T C -1.100 173.642 174.700 0.071 0.000 1.015 482 T CA -0.514 61.681 62.100 0.157 0.000 0.963 482 T CB 0.301 69.234 68.868 0.109 0.000 0.955 482 T HN 0.428 nan 8.240 nan 0.000 0.449 483 V N 2.634 122.524 119.914 -0.040 0.000 2.919 483 V HA 0.973 5.103 4.120 0.016 0.000 0.316 483 V C 0.402 176.438 176.094 -0.096 0.000 1.077 483 V CA -1.486 60.748 62.300 -0.110 0.000 0.977 483 V CB 1.264 32.898 31.823 -0.315 0.000 1.039 483 V HN 0.990 nan 8.190 nan 0.000 0.441 484 A N 1.988 124.780 122.820 -0.046 0.000 2.515 484 A HA 0.552 4.882 4.320 0.016 0.000 0.263 484 A C 0.504 178.087 177.584 -0.002 0.000 1.096 484 A CA 0.293 52.330 52.037 0.001 0.000 0.769 484 A CB -0.852 18.168 19.000 0.033 0.000 1.040 484 A HN 1.031 nan 8.150 nan 0.000 0.505 485 T N 2.503 117.075 114.554 0.030 0.000 2.829 485 T HA 0.466 4.826 4.350 0.016 0.000 0.280 485 T C -1.032 173.726 174.700 0.097 0.000 0.999 485 T CA -0.031 62.096 62.100 0.046 0.000 0.983 485 T CB 0.907 69.793 68.868 0.030 0.000 0.968 485 T HN 0.489 nan 8.240 nan 0.000 0.446 486 Y N 2.037 122.332 120.300 -0.009 0.000 2.328 486 Y HA 0.483 5.043 4.550 0.016 0.000 0.337 486 Y C -0.029 175.882 175.900 0.018 0.000 0.966 486 Y CA -0.614 57.477 58.100 -0.016 0.000 1.136 486 Y CB 0.906 39.338 38.460 -0.046 0.000 1.170 486 Y HN 0.571 nan 8.280 nan 0.000 0.470 487 E N 4.139 124.185 120.200 -0.257 0.000 2.199 487 E HA 0.241 4.600 4.350 0.016 0.000 0.265 487 E C -1.226 175.177 176.600 -0.328 0.000 0.882 487 E CA -0.536 55.801 56.400 -0.105 0.000 0.759 487 E CB 1.744 31.453 29.700 0.015 0.000 1.148 487 E HN 0.613 nan 8.360 nan 0.000 0.412 488 S N 2.776 118.437 115.700 -0.064 0.000 2.545 488 S HA 0.317 4.797 4.470 0.016 0.000 0.275 488 S C -0.702 173.839 174.600 -0.099 0.000 1.299 488 S CA -0.482 57.680 58.200 -0.064 0.000 1.048 488 S CB 0.494 63.767 63.200 0.121 0.000 0.938 488 S HN 0.590 nan 8.310 nan 0.000 0.496 489 C N 3.934 123.143 119.300 -0.151 0.000 2.797 489 C HA 0.741 5.210 4.460 0.016 0.000 0.306 489 C C 0.048 174.946 174.990 -0.153 0.000 1.207 489 C CA -0.614 58.312 59.018 -0.154 0.000 1.507 489 C CB 1.211 28.838 27.740 -0.189 0.000 2.028 489 C HN 0.831 nan 8.230 nan 0.000 0.475 490 S N 1.626 117.238 115.700 -0.147 0.000 2.513 490 S HA 0.472 4.952 4.470 0.016 0.000 0.276 490 S C 0.927 175.459 174.600 -0.113 0.000 1.254 490 S CA 0.177 58.300 58.200 -0.129 0.000 1.053 490 S CB 0.638 63.765 63.200 -0.121 0.000 0.958 490 S HN 1.008 nan 8.310 nan 0.000 0.491 491 T N 2.161 116.665 114.554 -0.084 0.000 3.264 491 T HA 0.386 4.745 4.350 0.016 0.000 0.257 491 T C 1.123 175.888 174.700 0.108 0.000 0.976 491 T CA 0.009 62.128 62.100 0.031 0.000 0.908 491 T CB 0.210 69.059 68.868 -0.031 0.000 1.082 491 T HN 0.542 nan 8.240 nan 0.000 0.567 492 A N 0.769 123.597 122.820 0.013 0.000 2.209 492 A HA 0.549 4.879 4.320 0.016 0.000 0.212 492 A C 2.389 179.984 177.584 0.018 0.000 1.158 492 A CA 0.734 52.790 52.037 0.031 0.000 0.742 492 A CB -0.729 18.284 19.000 0.020 0.000 0.790 492 A HN 0.750 nan 8.150 nan 0.000 0.472 493 A N -1.132 121.644 122.820 -0.073 0.000 2.206 493 A HA 0.411 4.741 4.320 0.016 0.000 0.211 493 A C 0.450 177.827 177.584 -0.345 0.000 1.158 493 A CA 0.147 52.074 52.037 -0.184 0.000 0.761 493 A CB -0.342 18.480 19.000 -0.296 0.000 0.801 493 A HN 0.363 nan 8.150 nan 0.000 0.473 494 F N -0.913 119.000 119.950 -0.063 0.000 2.457 494 F HA 0.525 5.062 4.527 0.016 0.000 0.330 494 F C 0.544 176.277 175.800 -0.112 0.000 1.069 494 F CA -1.202 56.722 58.000 -0.127 0.000 1.009 494 F CB 0.797 39.725 39.000 -0.119 0.000 1.276 494 F HN -0.200 nan 8.300 nan 0.000 0.492 495 K N 0.314 120.737 120.400 0.039 0.000 2.412 495 K HA 0.061 4.391 4.320 0.016 0.000 0.281 495 K C 0.103 176.704 176.600 0.002 0.000 1.027 495 K CA 0.558 56.803 56.287 -0.070 0.000 0.989 495 K CB -0.480 31.900 32.500 -0.200 0.000 0.935 495 K HN 0.665 nan 8.250 nan 0.000 0.475 496 H N 0.441 119.537 119.070 0.044 0.000 3.100 496 H HA -0.223 4.343 4.556 0.016 0.000 0.271 496 H C 0.538 175.855 175.328 -0.018 0.000 1.116 496 H CA 0.007 56.075 56.048 0.034 0.000 1.177 496 H CB -1.220 28.554 29.762 0.019 0.000 1.294 496 H HN 0.793 nan 8.280 nan 0.000 0.334 497 G N 0.370 109.238 108.800 0.113 0.000 2.321 497 G HA2 0.139 4.109 3.960 0.016 0.000 0.237 497 G HA3 0.139 4.109 3.960 0.016 0.000 0.237 497 G C 0.600 175.482 174.900 -0.030 0.000 1.282 497 G CA 0.083 45.206 45.100 0.038 0.000 0.886 497 G HN 0.346 nan 8.290 nan 0.000 0.528 498 R N 0.241 120.654 120.500 -0.145 0.000 2.271 498 R HA 0.445 4.794 4.340 0.016 0.000 0.117 498 R C 0.384 176.565 176.300 -0.197 0.000 1.644 498 R CA 0.282 56.274 56.100 -0.179 0.000 1.414 498 R CB 0.086 30.233 30.300 -0.255 0.000 1.196 498 R HN 0.649 nan 8.270 nan 0.000 0.447 499 T N -0.245 114.106 114.554 -0.337 0.000 2.893 499 T HA 0.439 4.799 4.350 0.016 0.000 0.293 499 T C -0.780 173.652 174.700 -0.448 0.000 1.027 499 T CA -0.824 61.099 62.100 -0.295 0.000 0.988 499 T CB 2.544 71.327 68.868 -0.142 0.000 1.043 499 T HN 0.136 nan 8.240 nan 0.000 0.461 500 E N 1.021 121.015 120.200 -0.344 0.000 2.250 500 E HA 0.566 4.925 4.350 0.016 0.000 0.269 500 E C -0.671 175.708 176.600 -0.369 0.000 1.018 500 E CA -0.490 55.690 56.400 -0.367 0.000 0.873 500 E CB 1.395 30.922 29.700 -0.288 0.000 1.134 500 E HN 0.738 nan 8.360 nan 0.000 0.403 501 T N 3.147 117.438 114.554 -0.437 0.000 2.743 501 T HA 0.420 4.780 4.350 0.016 0.000 0.293 501 T C 0.258 174.686 174.700 -0.454 0.000 0.945 501 T CA -0.381 61.367 62.100 -0.587 0.000 1.030 501 T CB 0.005 68.473 68.868 -0.667 0.000 0.912 501 T HN 0.333 nan 8.240 nan 0.000 0.483 502 I N 3.411 123.740 120.570 -0.403 0.000 2.474 502 I HA 0.260 4.440 4.170 0.016 0.000 0.287 502 I C 0.870 176.859 176.117 -0.213 0.000 1.048 502 I CA -0.457 60.677 61.300 -0.276 0.000 1.383 502 I CB 0.571 38.431 38.000 -0.234 0.000 1.412 502 I HN 0.241 nan 8.210 nan 0.000 0.531 503 R N 6.719 127.157 120.500 -0.104 0.000 2.575 503 R HA 0.266 4.616 4.340 0.016 0.000 0.281 503 R C -2.032 174.311 176.300 0.073 0.000 1.272 503 R CA -1.722 54.386 56.100 0.013 0.000 1.417 503 R CB 0.617 31.005 30.300 0.147 0.000 1.121 503 R HN 0.380 nan 8.270 nan 0.000 0.583 504 P HA -0.103 nan 4.420 nan 0.000 0.216 504 P C 0.277 177.673 177.300 0.160 0.000 1.153 504 P CA 0.882 64.094 63.100 0.188 0.000 0.848 504 P CB 0.272 32.072 31.700 0.167 0.000 0.787 505 A N 0.588 123.481 122.820 0.121 0.000 2.752 505 A HA 0.294 4.623 4.320 0.016 0.000 0.292 505 A C 0.719 178.394 177.584 0.151 0.000 1.597 505 A CA 0.165 52.270 52.037 0.113 0.000 1.241 505 A CB -1.241 17.803 19.000 0.073 0.000 1.061 505 A HN 0.289 nan 8.150 nan 0.000 0.576 506 S N 1.937 117.766 115.700 0.215 0.000 2.718 506 S HA 0.538 5.017 4.470 0.016 0.000 0.300 506 S C 1.306 175.954 174.600 0.081 0.000 1.117 506 S CA -0.212 58.142 58.200 0.258 0.000 1.002 506 S CB 0.766 64.333 63.200 0.612 0.000 1.092 506 S HN 0.970 nan 8.310 nan 0.000 0.542 507 I N -1.797 118.703 120.570 -0.117 0.000 2.236 507 I HA -0.174 4.006 4.170 0.016 0.000 0.249 507 I C 1.761 177.679 176.117 -0.331 0.000 1.102 507 I CA 1.711 62.818 61.300 -0.322 0.000 1.365 507 I CB -0.783 36.888 38.000 -0.549 0.000 1.051 507 I HN 0.524 nan 8.210 nan 0.000 0.420 508 F N 2.524 122.445 119.950 -0.049 0.000 2.113 508 F HA -0.166 4.371 4.527 0.017 0.000 0.297 508 F C 3.097 178.899 175.800 0.002 0.000 1.103 508 F CA 2.067 60.049 58.000 -0.029 0.000 1.248 508 F CB -1.488 37.502 39.000 -0.017 0.000 0.999 508 F HN 0.220 nan 8.300 nan 0.000 0.475 509 T N -1.708 112.974 114.554 0.213 0.000 2.915 509 T HA -0.184 4.176 4.350 0.016 0.000 0.269 509 T C 1.911 176.654 174.700 0.071 0.000 1.071 509 T CA 1.341 63.511 62.100 0.117 0.000 1.132 509 T CB -0.353 68.579 68.868 0.106 0.000 0.878 509 T HN 0.269 nan 8.240 nan 0.000 0.479 510 K N 0.956 121.384 120.400 0.048 0.000 1.991 510 K HA 0.001 4.331 4.320 0.016 0.000 0.207 510 K C 2.749 179.367 176.600 0.030 0.000 1.045 510 K CA 0.756 57.061 56.287 0.031 0.000 0.937 510 K CB -0.213 32.284 32.500 -0.004 0.000 0.720 510 K HN 0.282 nan 8.250 nan 0.000 0.438 511 R N 0.499 121.001 120.500 0.003 0.000 2.094 511 R HA -0.224 4.126 4.340 0.016 0.000 0.239 511 R C 2.512 178.833 176.300 0.036 0.000 1.137 511 R CA 2.162 58.267 56.100 0.008 0.000 0.943 511 R CB -0.898 29.393 30.300 -0.015 0.000 0.850 511 R HN 0.474 nan 8.270 nan 0.000 0.433 512 C N 0.285 119.627 119.300 0.070 0.000 2.411 512 C HA -0.030 4.440 4.460 0.016 0.000 0.279 512 C C 2.713 177.817 174.990 0.189 0.000 1.288 512 C CA 1.514 60.608 59.018 0.127 0.000 1.764 512 C CB -0.890 26.927 27.740 0.128 0.000 1.974 512 C HN 0.621 nan 8.230 nan 0.000 0.498 513 S N 0.130 115.894 115.700 0.107 0.000 2.371 513 S HA -0.110 4.369 4.470 0.016 0.000 0.224 513 S C 1.628 176.306 174.600 0.130 0.000 1.029 513 S CA 1.357 59.618 58.200 0.103 0.000 0.978 513 S CB -0.341 62.902 63.200 0.071 0.000 0.833 513 S HN 0.720 nan 8.310 nan 0.000 0.466 514 E N 1.522 121.778 120.200 0.094 0.000 2.033 514 E HA -0.189 4.171 4.350 0.016 0.000 0.199 514 E C 2.357 179.006 176.600 0.082 0.000 1.011 514 E CA 1.180 57.630 56.400 0.084 0.000 0.815 514 E CB -0.344 29.394 29.700 0.063 0.000 0.755 514 E HN 0.467 nan 8.360 nan 0.000 0.451 515 A N 0.728 123.557 122.820 0.017 0.000 1.881 515 A HA -0.248 4.081 4.320 0.016 0.000 0.219 515 A C 2.015 179.575 177.584 -0.040 0.000 1.215 515 A CA 1.843 53.784 52.037 -0.161 0.000 0.648 515 A CB -1.163 17.558 19.000 -0.465 0.000 0.832 515 A HN 0.288 nan 8.150 nan 0.000 0.455 516 F N -0.998 118.919 119.950 -0.056 0.000 2.333 516 F HA -0.084 4.452 4.527 0.015 0.000 0.300 516 F C 2.113 177.922 175.800 0.015 0.000 1.083 516 F CA 1.442 59.436 58.000 -0.011 0.000 1.395 516 F CB 0.109 39.103 39.000 -0.011 0.000 1.056 516 F HN 0.059 nan 8.300 nan 0.000 0.529 517 V N -1.346 118.681 119.914 0.189 0.000 2.854 517 V HA -0.005 4.125 4.120 0.016 0.000 0.236 517 V C 2.105 178.253 176.094 0.090 0.000 1.157 517 V CA 0.624 63.002 62.300 0.130 0.000 1.187 517 V CB -0.254 31.639 31.823 0.117 0.000 0.949 517 V HN -0.004 nan 8.190 nan 0.000 0.488 518 R N 1.772 122.324 120.500 0.086 0.000 2.064 518 R HA -0.073 4.276 4.340 0.016 0.000 0.228 518 R C 0.363 176.704 176.300 0.069 0.000 1.144 518 R CA 1.805 57.947 56.100 0.071 0.000 0.932 518 R CB -0.337 30.006 30.300 0.072 0.000 0.833 518 R HN 0.681 nan 8.270 nan 0.000 0.429 519 D N 0.204 120.659 120.400 0.091 0.000 2.683 519 D HA 0.121 4.771 4.640 0.016 0.000 0.309 519 D C -2.128 174.238 176.300 0.110 0.000 1.238 519 D CA -1.605 52.449 54.000 0.091 0.000 0.936 519 D CB 1.035 41.891 40.800 0.093 0.000 1.001 519 D HN 0.018 nan 8.370 nan 0.000 0.505 520 P HA -0.129 nan 4.420 nan 0.000 0.226 520 P C 0.640 177.944 177.300 0.006 0.000 1.146 520 P CA 0.721 63.824 63.100 0.005 0.000 0.773 520 P CB 0.396 32.101 31.700 0.007 0.000 0.772 521 S N -0.933 114.782 115.700 0.025 0.000 2.512 521 S HA 0.101 4.581 4.470 0.016 0.000 0.216 521 S C 1.661 176.251 174.600 -0.017 0.000 1.006 521 S CA -0.129 58.073 58.200 0.003 0.000 0.915 521 S CB -0.070 63.129 63.200 -0.002 0.000 0.824 521 S HN 0.171 nan 8.310 nan 0.000 0.497 522 K N 0.979 121.360 120.400 -0.031 0.000 2.439 522 K HA 0.000 4.330 4.320 0.016 0.000 0.197 522 K C -0.500 175.902 176.600 -0.329 0.000 1.041 522 K CA 0.748 56.929 56.287 -0.176 0.000 0.970 522 K CB 0.109 32.471 32.500 -0.231 0.000 0.773 522 K HN 0.412 nan 8.250 nan 0.000 0.479 523 H N -0.984 118.055 119.070 -0.052 0.000 2.524 523 H HA 0.186 4.752 4.556 0.016 0.000 0.353 523 H C -0.288 175.000 175.328 -0.067 0.000 1.136 523 H CA -0.685 55.328 56.048 -0.058 0.000 1.193 523 H CB 1.839 31.555 29.762 -0.078 0.000 1.558 523 H HN 0.050 nan 8.280 nan 0.000 0.515 524 S N 0.866 116.604 115.700 0.063 0.000 2.669 524 S HA 0.167 4.646 4.470 0.016 0.000 0.270 524 S C 1.224 175.831 174.600 0.012 0.000 1.225 524 S CA -0.517 57.695 58.200 0.021 0.000 0.991 524 S CB 0.865 64.072 63.200 0.012 0.000 0.987 524 S HN 0.365 nan 8.310 nan 0.000 0.552 525 V N 2.185 122.102 119.914 0.004 0.000 2.214 525 V HA -0.120 4.009 4.120 0.016 0.000 0.247 525 V C 2.884 178.993 176.094 0.024 0.000 1.051 525 V CA 2.406 64.710 62.300 0.006 0.000 1.003 525 V CB -2.006 29.829 31.823 0.019 0.000 0.635 525 V HN 1.061 nan 8.190 nan 0.000 0.447 526 G N -1.168 107.651 108.800 0.031 0.000 2.462 526 G HA2 -0.301 3.669 3.960 0.016 0.000 0.220 526 G HA3 -0.301 3.669 3.960 0.016 0.000 0.220 526 G C 1.529 176.471 174.900 0.069 0.000 1.121 526 G CA 1.015 46.141 45.100 0.044 0.000 0.758 526 G HN 0.638 nan 8.290 nan 0.000 0.559 527 E N -0.280 119.957 120.200 0.062 0.000 2.107 527 E HA -0.010 4.350 4.350 0.016 0.000 0.191 527 E C 2.478 179.140 176.600 0.103 0.000 0.982 527 E CA 0.301 56.759 56.400 0.097 0.000 0.809 527 E CB -0.116 29.646 29.700 0.104 0.000 0.756 527 E HN 0.480 nan 8.360 nan 0.000 0.459 528 L N 0.392 121.633 121.223 0.029 0.000 2.005 528 L HA -0.205 4.145 4.340 0.016 0.000 0.207 528 L C 2.679 179.616 176.870 0.112 0.000 1.072 528 L CA 1.326 56.162 54.840 -0.006 0.000 0.744 528 L CB -0.505 41.447 42.059 -0.177 0.000 0.895 528 L HN 0.154 nan 8.230 nan 0.000 0.433 529 Q N -0.905 118.959 119.800 0.106 0.000 2.217 529 Q HA -0.313 4.037 4.340 0.016 0.000 0.209 529 Q C 2.096 178.159 176.000 0.105 0.000 0.988 529 Q CA 2.110 57.975 55.803 0.104 0.000 0.878 529 Q CB -0.294 28.491 28.738 0.079 0.000 0.909 529 Q HN 0.522 nan 8.270 nan 0.000 0.424 530 H N -0.226 118.866 119.070 0.037 0.000 2.326 530 H HA -0.030 4.536 4.556 0.015 0.000 0.301 530 H C 1.857 177.210 175.328 0.041 0.000 1.081 530 H CA 1.748 57.813 56.048 0.030 0.000 1.334 530 H CB 0.001 29.782 29.762 0.031 0.000 1.385 530 H HN 0.122 nan 8.280 nan 0.000 0.504 531 M N -0.419 119.138 119.600 -0.071 0.000 2.086 531 M HA -0.188 4.302 4.480 0.016 0.000 0.261 531 M C 2.416 178.688 176.300 -0.048 0.000 1.067 531 M CA 1.974 57.230 55.300 -0.075 0.000 1.116 531 M CB -0.194 32.443 32.600 0.062 0.000 1.348 531 M HN 0.355 nan 8.290 nan 0.000 0.407 532 M N -0.453 119.160 119.600 0.022 0.000 2.195 532 M HA -0.208 4.281 4.480 0.016 0.000 0.260 532 M C 2.261 178.519 176.300 -0.070 0.000 1.066 532 M CA 1.681 56.977 55.300 -0.005 0.000 1.089 532 M CB -0.548 32.073 32.600 0.035 0.000 1.377 532 M HN 0.396 nan 8.290 nan 0.000 0.411 533 A N -0.168 122.591 122.820 -0.102 0.000 1.970 533 A HA -0.094 4.236 4.320 0.016 0.000 0.216 533 A C 1.989 179.456 177.584 -0.194 0.000 1.170 533 A CA 1.026 52.987 52.037 -0.126 0.000 0.645 533 A CB -0.354 18.588 19.000 -0.097 0.000 0.816 533 A HN 0.396 nan 8.150 nan 0.000 0.447 534 E N 0.060 120.089 120.200 -0.285 0.000 2.038 534 E HA -0.214 4.146 4.350 0.016 0.000 0.195 534 E C 2.253 178.609 176.600 -0.407 0.000 1.000 534 E CA 1.534 57.684 56.400 -0.416 0.000 0.803 534 E CB -0.753 28.754 29.700 -0.322 0.000 0.750 534 E HN 0.653 nan 8.360 nan 0.000 0.448 535 C N 0.696 119.902 119.300 -0.156 0.000 2.396 535 C HA -0.167 4.302 4.460 0.016 0.000 0.281 535 C C 3.109 178.076 174.990 -0.040 0.000 1.208 535 C CA 1.334 60.337 59.018 -0.025 0.000 1.754 535 C CB -1.228 26.508 27.740 -0.006 0.000 2.044 535 C HN 0.506 nan 8.230 nan 0.000 0.449 536 S N 0.249 115.904 115.700 -0.075 0.000 2.393 536 S HA -0.323 4.157 4.470 0.016 0.000 0.234 536 S C 1.943 176.524 174.600 -0.031 0.000 1.064 536 S CA 2.450 60.615 58.200 -0.057 0.000 1.088 536 S CB -0.432 62.721 63.200 -0.078 0.000 0.939 536 S HN 0.683 nan 8.310 nan 0.000 0.448 537 K N -0.943 119.404 120.400 -0.088 0.000 1.973 537 K HA -0.152 4.178 4.320 0.016 0.000 0.210 537 K C 2.115 178.685 176.600 -0.049 0.000 1.045 537 K CA 1.684 57.918 56.287 -0.088 0.000 0.937 537 K CB -0.644 31.770 32.500 -0.144 0.000 0.721 537 K HN 0.454 nan 8.250 nan 0.000 0.438 538 Y N 1.258 121.402 120.300 -0.261 0.000 2.193 538 Y HA -0.306 4.254 4.550 0.016 0.000 0.285 538 Y C 2.258 178.136 175.900 -0.035 0.000 1.166 538 Y CA 2.350 60.340 58.100 -0.182 0.000 1.181 538 Y CB -0.806 37.490 38.460 -0.274 0.000 0.976 538 Y HN 0.388 nan 8.280 nan 0.000 0.520 539 H N -0.865 118.117 119.070 -0.146 0.000 2.352 539 H HA -0.078 4.488 4.556 0.016 0.000 0.299 539 H C 2.413 177.634 175.328 -0.179 0.000 1.097 539 H CA 1.937 57.876 56.048 -0.183 0.000 1.311 539 H CB -0.719 28.983 29.762 -0.100 0.000 1.377 539 H HN 0.402 nan 8.280 nan 0.000 0.504 540 G N -0.553 108.193 108.800 -0.089 0.000 2.443 540 G HA2 -0.268 3.702 3.960 0.016 0.000 0.219 540 G HA3 -0.268 3.702 3.960 0.016 0.000 0.219 540 G C 1.581 176.386 174.900 -0.157 0.000 1.131 540 G CA 0.624 45.656 45.100 -0.113 0.000 0.775 540 G HN 0.510 nan 8.290 nan 0.000 0.547 541 Q N -0.393 119.304 119.800 -0.171 0.000 2.172 541 Q HA 0.085 4.435 4.340 0.016 0.000 0.200 541 Q C 2.414 178.282 176.000 -0.220 0.000 0.964 541 Q CA 0.486 56.200 55.803 -0.148 0.000 0.855 541 Q CB -0.102 28.588 28.738 -0.079 0.000 0.918 541 Q HN 0.509 nan 8.270 nan 0.000 0.444 542 L N -0.303 120.700 121.223 -0.367 0.000 2.044 542 L HA -0.113 4.237 4.340 0.016 0.000 0.205 542 L C 2.449 179.133 176.870 -0.310 0.000 1.075 542 L CA 1.442 56.063 54.840 -0.364 0.000 0.747 542 L CB -0.681 41.092 42.059 -0.477 0.000 0.903 542 L HN 0.203 nan 8.230 nan 0.000 0.435 543 T N -0.433 113.898 114.554 -0.371 0.000 2.665 543 T HA -0.270 4.090 4.350 0.016 0.000 0.268 543 T C 1.929 176.509 174.700 -0.199 0.000 1.035 543 T CA 1.532 63.458 62.100 -0.290 0.000 1.151 543 T CB -0.157 68.552 68.868 -0.264 0.000 0.862 543 T HN 0.207 nan 8.240 nan 0.000 0.438 544 K N 0.693 120.995 120.400 -0.164 0.000 2.057 544 K HA -0.096 4.234 4.320 0.016 0.000 0.206 544 K C 2.415 178.955 176.600 -0.099 0.000 1.050 544 K CA 1.296 57.513 56.287 -0.118 0.000 0.935 544 K CB -0.013 32.437 32.500 -0.084 0.000 0.715 544 K HN 0.435 nan 8.250 nan 0.000 0.439 545 E N -0.058 120.081 120.200 -0.102 0.000 2.106 545 E HA -0.168 4.192 4.350 0.016 0.000 0.192 545 E C 1.930 178.476 176.600 -0.090 0.000 0.984 545 E CA 0.852 57.208 56.400 -0.074 0.000 0.806 545 E CB -0.065 29.600 29.700 -0.059 0.000 0.750 545 E HN 0.344 nan 8.360 nan 0.000 0.458 546 A N 1.908 124.649 122.820 -0.132 0.000 1.849 546 A HA -0.207 4.123 4.320 0.016 0.000 0.217 546 A C 2.482 179.989 177.584 -0.127 0.000 1.202 546 A CA 2.008 53.952 52.037 -0.154 0.000 0.629 546 A CB -1.090 17.790 19.000 -0.200 0.000 0.834 546 A HN 0.307 nan 8.150 nan 0.000 0.447 547 A N -1.818 120.927 122.820 -0.125 0.000 2.148 547 A HA -0.158 4.172 4.320 0.016 0.000 0.222 547 A C 1.964 179.584 177.584 0.060 0.000 1.161 547 A CA 2.003 53.986 52.037 -0.091 0.000 0.662 547 A CB -0.456 18.440 19.000 -0.172 0.000 0.799 547 A HN 0.478 nan 8.150 nan 0.000 0.466 548 M N -2.118 117.506 119.600 0.041 0.000 2.371 548 M HA 0.169 4.659 4.480 0.016 0.000 0.246 548 M C 1.409 177.690 176.300 -0.032 0.000 1.103 548 M CA 0.958 56.351 55.300 0.155 0.000 1.010 548 M CB -0.030 32.614 32.600 0.073 0.000 1.457 548 M HN 0.752 nan 8.290 nan 0.000 0.486 549 G N 0.567 109.280 108.800 -0.144 0.000 2.175 549 G HA2 -0.202 3.767 3.960 0.016 0.000 0.244 549 G HA3 -0.202 3.767 3.960 0.016 0.000 0.244 549 G C 0.528 175.326 174.900 -0.171 0.000 0.982 549 G CA -0.083 44.853 45.100 -0.273 0.000 0.641 549 G HN 0.433 nan 8.290 nan 0.000 0.527 550 Q N 0.715 120.450 119.800 -0.109 0.000 2.212 550 Q HA 0.340 4.690 4.340 0.016 0.000 0.213 550 Q C 1.419 177.409 176.000 -0.016 0.000 0.874 550 Q CA 0.630 56.396 55.803 -0.061 0.000 0.965 550 Q CB 0.558 29.274 28.738 -0.036 0.000 1.074 550 Q HN 0.643 nan 8.270 nan 0.000 0.473 551 G N -0.285 108.491 108.800 -0.039 0.000 2.510 551 G HA2 0.300 4.270 3.960 0.016 0.000 0.280 551 G HA3 0.300 4.270 3.960 0.016 0.000 0.280 551 G C 0.237 175.203 174.900 0.111 0.000 1.386 551 G CA -0.344 44.761 45.100 0.008 0.000 1.047 551 G HN 0.300 nan 8.290 nan 0.000 0.527 552 F N -2.348 117.641 119.950 0.064 0.000 2.667 552 F HA 0.338 4.875 4.527 0.016 0.000 0.288 552 F C 1.534 177.446 175.800 0.187 0.000 1.086 552 F CA 0.394 58.486 58.000 0.153 0.000 1.297 552 F CB 0.031 39.141 39.000 0.184 0.000 1.059 552 F HN 0.330 nan 8.300 nan 0.000 0.624 553 D N 1.318 121.356 120.400 -0.604 0.000 2.104 553 D HA -0.129 4.521 4.640 0.016 0.000 0.194 553 D C 2.020 178.312 176.300 -0.013 0.000 0.994 553 D CA 1.444 55.251 54.000 -0.321 0.000 0.830 553 D CB -0.106 40.402 40.800 -0.487 0.000 0.959 553 D HN 0.010 nan 8.370 nan 0.000 0.452 554 R N -0.129 120.308 120.500 -0.105 0.000 2.120 554 R HA -0.086 4.264 4.340 0.016 0.000 0.234 554 R C 2.089 178.530 176.300 0.235 0.000 1.123 554 R CA 0.954 57.001 56.100 -0.088 0.000 0.975 554 R CB -0.988 29.137 30.300 -0.293 0.000 0.866 554 R HN 0.561 nan 8.270 nan 0.000 0.446 555 H N 0.246 119.434 119.070 0.198 0.000 2.299 555 H HA 0.029 4.595 4.556 0.016 0.000 0.302 555 H C 2.065 177.590 175.328 0.327 0.000 1.078 555 H CA 1.226 57.456 56.048 0.304 0.000 1.323 555 H CB 0.162 30.058 29.762 0.225 0.000 1.381 555 H HN 0.044 nan 8.280 nan 0.000 0.498 556 L N -0.065 121.341 121.223 0.304 0.000 2.083 556 L HA -0.238 4.111 4.340 0.016 0.000 0.209 556 L C 2.495 179.558 176.870 0.320 0.000 1.083 556 L CA 1.298 56.298 54.840 0.266 0.000 0.752 556 L CB -0.543 41.707 42.059 0.319 0.000 0.899 556 L HN 0.397 nan 8.230 nan 0.000 0.433 557 Y N 0.608 121.035 120.300 0.213 0.000 2.163 557 Y HA -0.266 4.294 4.550 0.017 0.000 0.288 557 Y C 2.534 178.513 175.900 0.132 0.000 1.136 557 Y CA 1.505 59.693 58.100 0.147 0.000 1.147 557 Y CB -0.141 38.425 38.460 0.177 0.000 0.987 557 Y HN 0.110 nan 8.280 nan 0.000 0.509 558 A N -0.011 123.066 122.820 0.429 0.000 2.076 558 A HA -0.155 4.174 4.320 0.016 0.000 0.220 558 A C 2.108 179.857 177.584 0.274 0.000 1.160 558 A CA 1.781 54.025 52.037 0.345 0.000 0.653 558 A CB -0.954 18.324 19.000 0.462 0.000 0.801 558 A HN 0.603 nan 8.150 nan 0.000 0.455 559 L N -1.894 119.465 121.223 0.227 0.000 2.168 559 L HA -0.012 4.338 4.340 0.016 0.000 0.203 559 L C 2.700 179.622 176.870 0.088 0.000 1.078 559 L CA 0.745 55.712 54.840 0.212 0.000 0.780 559 L CB -0.451 41.791 42.059 0.307 0.000 0.939 559 L HN 0.352 nan 8.230 nan 0.000 0.451 560 R N -0.104 120.291 120.500 -0.176 0.000 2.097 560 R HA -0.285 4.065 4.340 0.016 0.000 0.236 560 R C 2.434 178.591 176.300 -0.239 0.000 1.135 560 R CA 2.460 58.243 56.100 -0.529 0.000 0.934 560 R CB -0.763 28.977 30.300 -0.935 0.000 0.846 560 R HN 0.262 nan 8.270 nan 0.000 0.431 561 Y N 0.977 121.085 120.300 -0.321 0.000 2.139 561 Y HA -0.292 4.268 4.550 0.017 0.000 0.282 561 Y C 2.154 178.005 175.900 -0.082 0.000 1.179 561 Y CA 2.022 59.999 58.100 -0.204 0.000 1.161 561 Y CB -0.270 38.114 38.460 -0.127 0.000 0.970 561 Y HN 0.185 nan 8.280 nan 0.000 0.511 562 L N -0.058 121.255 121.223 0.149 0.000 2.109 562 L HA 0.022 4.372 4.340 0.016 0.000 0.207 562 L C 2.414 179.282 176.870 -0.003 0.000 1.086 562 L CA 1.592 56.496 54.840 0.108 0.000 0.760 562 L CB -1.039 41.127 42.059 0.178 0.000 0.910 562 L HN 0.267 nan 8.230 nan 0.000 0.437 563 A N -0.731 122.078 122.820 -0.019 0.000 1.836 563 A HA -0.276 4.054 4.320 0.016 0.000 0.215 563 A C 2.207 179.738 177.584 -0.088 0.000 1.214 563 A CA 2.848 54.860 52.037 -0.042 0.000 0.636 563 A CB -1.530 17.458 19.000 -0.020 0.000 0.847 563 A HN 0.458 nan 8.150 nan 0.000 0.451 564 T N 0.535 115.010 114.554 -0.132 0.000 2.701 564 T HA -0.282 4.078 4.350 0.016 0.000 0.265 564 T C 1.994 176.578 174.700 -0.193 0.000 1.032 564 T CA 2.492 64.490 62.100 -0.169 0.000 1.158 564 T CB -0.674 68.058 68.868 -0.226 0.000 0.854 564 T HN 0.746 nan 8.240 nan 0.000 0.463 565 A N 1.107 123.779 122.820 -0.248 0.000 1.968 565 A HA -0.005 4.325 4.320 0.016 0.000 0.217 565 A C 2.264 179.785 177.584 -0.105 0.000 1.169 565 A CA 0.774 52.671 52.037 -0.233 0.000 0.638 565 A CB -0.166 18.645 19.000 -0.315 0.000 0.812 565 A HN 0.252 nan 8.150 nan 0.000 0.446 566 R N -0.889 119.569 120.500 -0.069 0.000 2.313 566 R HA 0.117 4.467 4.340 0.016 0.000 0.199 566 R C 1.061 177.333 176.300 -0.047 0.000 0.958 566 R CA 0.704 56.781 56.100 -0.039 0.000 1.047 566 R CB -0.522 29.762 30.300 -0.027 0.000 0.955 566 R HN 0.808 nan 8.270 nan 0.000 0.481 567 G N 1.503 110.266 108.800 -0.063 0.000 2.171 567 G HA2 -0.233 3.737 3.960 0.016 0.000 0.238 567 G HA3 -0.233 3.737 3.960 0.016 0.000 0.238 567 G C 0.058 174.930 174.900 -0.047 0.000 1.039 567 G CA -0.038 45.029 45.100 -0.055 0.000 0.759 567 G HN 0.181 nan 8.290 nan 0.000 0.501 568 L N -0.838 120.355 121.223 -0.050 0.000 2.431 568 L HA 0.495 4.845 4.340 0.016 0.000 0.260 568 L C 0.920 177.768 176.870 -0.036 0.000 1.098 568 L CA -1.364 53.451 54.840 -0.041 0.000 0.800 568 L CB 0.331 42.366 42.059 -0.040 0.000 1.210 568 L HN -0.009 nan 8.230 nan 0.000 0.465 569 N N 0.358 119.044 118.700 -0.024 0.000 2.340 569 N HA 0.141 4.890 4.740 0.016 0.000 0.236 569 N C -0.440 175.067 175.510 -0.005 0.000 1.296 569 N CA -0.395 52.646 53.050 -0.016 0.000 0.896 569 N CB 0.192 38.674 38.487 -0.007 0.000 1.127 569 N HN 0.289 nan 8.380 nan 0.000 0.442 570 L N 2.584 123.807 121.223 -0.000 0.000 2.513 570 L HA 0.190 4.540 4.340 0.016 0.000 0.272 570 L C -1.915 175.005 176.870 0.083 0.000 1.187 570 L CA -1.027 53.831 54.840 0.030 0.000 0.895 570 L CB -0.273 41.799 42.059 0.021 0.000 1.147 570 L HN 0.543 nan 8.230 nan 0.000 0.483 571 P HA 0.023 nan 4.420 nan 0.000 0.269 571 P C 0.283 177.644 177.300 0.102 0.000 1.215 571 P CA -0.172 63.031 63.100 0.172 0.000 0.780 571 P CB 0.484 32.384 31.700 0.334 0.000 0.898 572 E N 0.554 120.774 120.200 0.033 0.000 2.338 572 E HA -0.143 4.217 4.350 0.016 0.000 0.197 572 E C 1.501 178.033 176.600 -0.114 0.000 1.007 572 E CA 0.366 56.754 56.400 -0.020 0.000 0.849 572 E CB -0.098 29.596 29.700 -0.010 0.000 0.774 572 E HN 0.285 nan 8.360 nan 0.000 0.506 573 L N 0.004 121.052 121.223 -0.291 0.000 2.093 573 L HA -0.175 4.175 4.340 0.016 0.000 0.208 573 L C 1.550 178.057 176.870 -0.605 0.000 1.085 573 L CA 1.709 56.205 54.840 -0.573 0.000 0.755 573 L CB -0.427 40.953 42.059 -1.131 0.000 0.904 573 L HN 0.115 nan 8.230 nan 0.000 0.435 574 Y N -1.064 118.996 120.300 -0.400 0.000 2.420 574 Y HA 0.031 4.590 4.550 0.016 0.000 0.292 574 Y C 2.214 178.042 175.900 -0.121 0.000 1.119 574 Y CA 0.768 58.551 58.100 -0.528 0.000 1.229 574 Y CB -0.544 37.579 38.460 -0.560 0.000 1.026 574 Y HN 0.094 nan 8.280 nan 0.000 0.554 575 L N -0.357 120.902 121.223 0.060 0.000 2.027 575 L HA -0.160 4.190 4.340 0.016 0.000 0.206 575 L C 0.787 177.705 176.870 0.079 0.000 1.074 575 L CA 0.947 55.830 54.840 0.072 0.000 0.745 575 L CB -0.711 41.371 42.059 0.039 0.000 0.898 575 L HN 0.120 nan 8.230 nan 0.000 0.433 576 D N 1.177 121.606 120.400 0.048 0.000 2.793 576 D HA -0.105 4.545 4.640 0.016 0.000 0.230 576 D C -1.445 174.925 176.300 0.116 0.000 1.139 576 D CA -0.954 53.083 54.000 0.061 0.000 0.838 576 D CB 0.813 41.635 40.800 0.036 0.000 1.149 576 D HN -0.042 nan 8.370 nan 0.000 0.526 577 P HA -0.278 nan 4.420 nan 0.000 0.217 577 P C 1.161 178.513 177.300 0.087 0.000 1.158 577 P CA 2.387 65.530 63.100 0.072 0.000 0.887 577 P CB -0.176 31.546 31.700 0.037 0.000 0.792 578 A N -1.352 121.518 122.820 0.083 0.000 2.032 578 A HA -0.251 4.079 4.320 0.016 0.000 0.221 578 A C 2.349 180.017 177.584 0.141 0.000 1.165 578 A CA 1.849 53.935 52.037 0.081 0.000 0.645 578 A CB -1.852 17.180 19.000 0.053 0.000 0.807 578 A HN 0.240 nan 8.150 nan 0.000 0.453 579 Y N 0.434 120.811 120.300 0.128 0.000 2.184 579 Y HA -0.188 4.371 4.550 0.016 0.000 0.290 579 Y C 2.470 178.487 175.900 0.195 0.000 1.129 579 Y CA 2.192 60.420 58.100 0.214 0.000 1.144 579 Y CB -0.462 38.109 38.460 0.185 0.000 0.995 579 Y HN 0.445 nan 8.280 nan 0.000 0.513 580 Q N 0.026 119.938 119.800 0.186 0.000 2.135 580 Q HA -0.267 4.083 4.340 0.016 0.000 0.204 580 Q C 2.314 178.329 176.000 0.024 0.000 0.981 580 Q CA 1.834 57.693 55.803 0.094 0.000 0.856 580 Q CB -0.290 28.531 28.738 0.138 0.000 0.902 580 Q HN 0.595 nan 8.270 nan 0.000 0.425 581 Q N 0.363 120.176 119.800 0.021 0.000 2.119 581 Q HA -0.179 4.170 4.340 0.016 0.000 0.201 581 Q C 2.060 178.078 176.000 0.030 0.000 0.972 581 Q CA 1.193 57.005 55.803 0.015 0.000 0.847 581 Q CB 0.022 28.762 28.738 0.003 0.000 0.903 581 Q HN 0.361 nan 8.270 nan 0.000 0.433 582 M N 1.095 120.689 119.600 -0.011 0.000 2.108 582 M HA -0.145 4.345 4.480 0.016 0.000 0.261 582 M C 0.374 176.671 176.300 -0.005 0.000 1.066 582 M CA 1.860 57.158 55.300 -0.003 0.000 1.107 582 M CB -0.100 32.499 32.600 -0.002 0.000 1.356 582 M HN 0.092 nan 8.290 nan 0.000 0.406 583 N N -0.559 118.088 118.700 -0.087 0.000 2.346 583 N HA 0.012 4.761 4.740 0.016 0.000 0.225 583 N C -0.420 175.111 175.510 0.035 0.000 1.144 583 N CA 0.088 53.114 53.050 -0.041 0.000 0.837 583 N CB -0.186 38.228 38.487 -0.122 0.000 1.069 583 N HN 0.346 nan 8.380 nan 0.000 0.487 584 H N 0.987 120.030 119.070 -0.045 0.000 2.340 584 H HA 0.233 4.799 4.556 0.016 0.000 0.233 584 H C -0.770 174.526 175.328 -0.053 0.000 1.435 584 H CA -0.556 55.464 56.048 -0.046 0.000 1.389 584 H CB -0.258 29.481 29.762 -0.039 0.000 1.491 584 H HN 0.108 nan 8.280 nan 0.000 0.518 585 N N 5.347 123.956 118.700 -0.152 0.000 2.454 585 N HA -0.027 4.723 4.740 0.016 0.000 0.285 585 N C 1.554 176.971 175.510 -0.155 0.000 1.233 585 N CA 0.066 53.056 53.050 -0.100 0.000 1.036 585 N CB 0.686 39.136 38.487 -0.062 0.000 1.423 585 N HN 0.616 nan 8.380 nan 0.000 0.495 586 I N 0.815 121.312 120.570 -0.123 0.000 2.194 586 I HA -0.241 3.939 4.170 0.016 0.000 0.246 586 I C 0.687 176.707 176.117 -0.161 0.000 1.093 586 I CA 1.267 62.467 61.300 -0.167 0.000 1.355 586 I CB 0.053 37.944 38.000 -0.181 0.000 1.046 586 I HN 0.305 nan 8.210 nan 0.000 0.413 587 L N 0.328 121.457 121.223 -0.156 0.000 2.276 587 L HA 0.323 4.673 4.340 0.016 0.000 0.286 587 L C -0.011 176.864 176.870 0.008 0.000 1.024 587 L CA -0.200 54.589 54.840 -0.084 0.000 0.826 587 L CB 1.311 43.282 42.059 -0.148 0.000 1.211 587 L HN -0.035 nan 8.230 nan 0.000 0.422 588 S N 2.408 118.142 115.700 0.057 0.000 2.449 588 S HA 0.792 5.272 4.470 0.016 0.000 0.310 588 S C -0.270 174.506 174.600 0.294 0.000 1.096 588 S CA -0.366 57.921 58.200 0.145 0.000 1.095 588 S CB 1.224 64.443 63.200 0.032 0.000 1.007 588 S HN 0.676 nan 8.310 nan 0.000 0.474 589 T N 0.886 115.639 114.554 0.331 0.000 2.903 589 T HA 0.797 5.157 4.350 0.016 0.000 0.299 589 T C -0.668 174.284 174.700 0.420 0.000 1.093 589 T CA -0.725 61.619 62.100 0.406 0.000 1.002 589 T CB 1.732 70.778 68.868 0.298 0.000 1.127 589 T HN 0.662 nan 8.240 nan 0.000 0.488 590 S N 0.318 116.304 115.700 0.477 0.000 2.548 590 S HA 0.632 5.112 4.470 0.016 0.000 0.278 590 S C -1.199 173.364 174.600 -0.062 0.000 1.150 590 S CA -0.522 57.799 58.200 0.202 0.000 0.907 590 S CB 1.862 65.119 63.200 0.095 0.000 1.108 590 S HN 1.149 nan 8.310 nan 0.000 0.459 591 T N 3.930 118.290 114.554 -0.322 0.000 2.906 591 T HA 0.849 5.208 4.350 0.016 0.000 0.295 591 T C -1.730 172.770 174.700 -0.333 0.000 1.075 591 T CA -0.476 61.277 62.100 -0.578 0.000 1.005 591 T CB 0.851 69.048 68.868 -1.117 0.000 1.136 591 T HN 0.572 nan 8.240 nan 0.000 0.498 592 L N 3.400 124.429 121.223 -0.323 0.000 2.526 592 L HA 0.499 4.849 4.340 0.016 0.000 0.263 592 L C -0.800 175.922 176.870 -0.247 0.000 0.943 592 L CA -1.007 53.686 54.840 -0.245 0.000 0.859 592 L CB 2.376 44.294 42.059 -0.235 0.000 1.313 592 L HN 0.591 nan 8.230 nan 0.000 0.406 593 N N 2.167 120.751 118.700 -0.193 0.000 2.444 593 N HA 0.447 5.197 4.740 0.016 0.000 0.262 593 N C -1.056 174.406 175.510 -0.080 0.000 0.974 593 N CA -0.144 52.806 53.050 -0.167 0.000 0.933 593 N CB 2.215 40.615 38.487 -0.146 0.000 1.137 593 N HN 0.504 nan 8.380 nan 0.000 0.498 594 S N 2.052 117.726 115.700 -0.044 0.000 2.543 594 S HA 0.416 4.895 4.470 0.016 0.000 0.271 594 S C -2.391 172.241 174.600 0.052 0.000 1.148 594 S CA -1.074 57.133 58.200 0.010 0.000 0.914 594 S CB 1.758 64.952 63.200 -0.009 0.000 1.096 594 S HN 0.263 nan 8.310 nan 0.000 0.471 595 P HA 0.217 nan 4.420 nan 0.000 0.242 595 P C 0.805 178.066 177.300 -0.065 0.000 1.197 595 P CA 0.339 63.485 63.100 0.077 0.000 0.765 595 P CB -0.008 31.767 31.700 0.125 0.000 0.936 596 A N -0.364 122.365 122.820 -0.153 0.000 2.044 596 A HA 0.166 4.496 4.320 0.016 0.000 0.213 596 A C 1.067 178.536 177.584 -0.192 0.000 1.169 596 A CA 0.330 52.023 52.037 -0.575 0.000 0.724 596 A CB -0.264 18.619 19.000 -0.196 0.000 0.840 596 A HN 0.068 nan 8.150 nan 0.000 0.463 597 V N 1.654 121.562 119.914 -0.011 0.000 2.498 597 V HA 0.240 4.370 4.120 0.016 0.000 0.279 597 V C 1.406 177.535 176.094 0.058 0.000 1.048 597 V CA 0.480 62.778 62.300 -0.003 0.000 0.967 597 V CB 1.283 33.003 31.823 -0.172 0.000 0.988 597 V HN 0.603 nan 8.190 nan 0.000 0.473 598 S N 5.541 121.306 115.700 0.109 0.000 2.384 598 S HA 0.313 4.792 4.470 0.016 0.000 0.217 598 S C 0.370 175.067 174.600 0.162 0.000 1.041 598 S CA 0.302 58.591 58.200 0.149 0.000 0.948 598 S CB -0.138 63.159 63.200 0.162 0.000 0.872 598 S HN 0.680 nan 8.310 nan 0.000 0.512 599 L N -2.725 118.582 121.223 0.140 0.000 2.397 599 L HA 0.991 5.341 4.340 0.016 0.000 0.251 599 L C -0.352 176.490 176.870 -0.046 0.000 1.064 599 L CA -1.001 53.894 54.840 0.091 0.000 0.859 599 L CB 1.391 43.545 42.059 0.159 0.000 1.468 599 L HN 0.300 nan 8.230 nan 0.000 0.411 600 G N -1.828 106.801 108.800 -0.284 0.000 2.687 600 G HA2 0.809 4.779 3.960 0.016 0.000 0.291 600 G HA3 0.809 4.779 3.960 0.016 0.000 0.291 600 G C -1.290 172.994 174.900 -1.025 0.000 1.420 600 G CA -0.476 44.085 45.100 -0.897 0.000 0.796 600 G HN 1.138 nan 8.290 nan 0.000 0.485 601 G N -1.695 106.303 108.800 -1.338 0.000 2.523 601 G HA2 0.785 4.754 3.960 0.016 0.000 0.291 601 G HA3 0.785 4.754 3.960 0.016 0.000 0.291 601 G C -1.494 173.260 174.900 -0.243 0.000 1.450 601 G CA -0.214 44.495 45.100 -0.652 0.000 0.790 601 G HN 1.594 nan 8.290 nan 0.000 0.496 602 F N -1.270 118.603 119.950 -0.128 0.000 2.654 602 F HA 0.869 5.405 4.527 0.016 0.000 0.308 602 F C 0.196 175.942 175.800 -0.089 0.000 1.108 602 F CA -1.269 56.675 58.000 -0.092 0.000 0.957 602 F CB 0.888 39.812 39.000 -0.127 0.000 1.309 602 F HN 1.000 nan 8.300 nan 0.000 0.446 603 A N 1.560 124.426 122.820 0.077 0.000 2.475 603 A HA 0.561 4.891 4.320 0.016 0.000 0.239 603 A C -2.546 175.002 177.584 -0.059 0.000 1.087 603 A CA -1.038 50.955 52.037 -0.072 0.000 0.779 603 A CB -0.786 18.180 19.000 -0.056 0.000 1.036 603 A HN 0.623 nan 8.150 nan 0.000 0.506 604 P HA 0.142 nan 4.420 nan 0.000 0.271 604 P C 0.844 178.085 177.300 -0.097 0.000 1.233 604 P CA 0.231 63.227 63.100 -0.173 0.000 0.789 604 P CB 0.418 31.911 31.700 -0.344 0.000 0.951 605 V N -0.776 119.066 119.914 -0.121 0.000 3.650 605 V HA 0.175 4.304 4.120 0.016 0.000 0.271 605 V C 0.495 176.460 176.094 -0.215 0.000 1.281 605 V CA 0.416 62.594 62.300 -0.204 0.000 1.120 605 V CB -0.521 31.133 31.823 -0.282 0.000 0.856 605 V HN 0.348 nan 8.190 nan 0.000 0.443 606 V N -5.679 114.127 119.914 -0.179 0.000 3.159 606 V HA 0.654 4.784 4.120 0.016 0.000 0.308 606 V C -2.155 173.923 176.094 -0.027 0.000 1.190 606 V CA -1.726 60.446 62.300 -0.213 0.000 1.037 606 V CB 1.145 32.615 31.823 -0.588 0.000 1.060 606 V HN -0.018 nan 8.190 nan 0.000 0.437 607 P HA -0.083 nan 4.420 nan 0.000 0.218 607 P C 0.361 177.682 177.300 0.034 0.000 1.148 607 P CA 1.845 64.910 63.100 -0.059 0.000 0.822 607 P CB -0.034 31.610 31.700 -0.095 0.000 0.784 608 D N -1.211 119.187 120.400 -0.003 0.000 2.894 608 D HA 0.267 4.916 4.640 0.016 0.000 0.273 608 D C 0.554 176.725 176.300 -0.215 0.000 1.328 608 D CA -0.436 53.519 54.000 -0.075 0.000 0.845 608 D CB -0.042 40.737 40.800 -0.035 0.000 1.072 608 D HN 0.037 nan 8.370 nan 0.000 0.484 609 G N -0.667 107.972 108.800 -0.268 0.000 3.022 609 G HA2 0.596 4.566 3.960 0.016 0.000 0.284 609 G HA3 0.596 4.566 3.960 0.016 0.000 0.284 609 G C -1.639 172.927 174.900 -0.557 0.000 1.375 609 G CA -0.802 44.062 45.100 -0.393 0.000 0.902 609 G HN 0.038 nan 8.290 nan 0.000 0.538 610 F N -0.521 119.291 119.950 -0.231 0.000 2.551 610 F HA 0.645 5.182 4.527 0.017 0.000 0.316 610 F C 0.641 176.301 175.800 -0.233 0.000 1.089 610 F CA -0.880 56.953 58.000 -0.278 0.000 0.915 610 F CB 2.752 41.516 39.000 -0.393 0.000 1.186 610 F HN 0.579 nan 8.300 nan 0.000 0.456 611 G N 3.716 112.472 108.800 -0.073 0.000 2.716 611 G HA2 0.582 4.552 3.960 0.016 0.000 0.333 611 G HA3 0.582 4.552 3.960 0.016 0.000 0.333 611 G C -1.170 173.399 174.900 -0.552 0.000 1.168 611 G CA -0.331 44.560 45.100 -0.348 0.000 1.064 611 G HN 0.432 nan 8.290 nan 0.000 0.479 612 I N 2.278 122.640 120.570 -0.346 0.000 2.307 612 I HA 0.496 4.676 4.170 0.016 0.000 0.289 612 I C 0.625 176.679 176.117 -0.106 0.000 1.021 612 I CA -0.532 60.586 61.300 -0.303 0.000 1.224 612 I CB 1.830 39.545 38.000 -0.476 0.000 1.376 612 I HN 0.435 nan 8.210 nan 0.000 0.470 613 A N 7.094 129.792 122.820 -0.203 0.000 2.290 613 A HA 0.786 5.116 4.320 0.016 0.000 0.310 613 A C -0.908 176.748 177.584 0.119 0.000 1.202 613 A CA -0.360 51.680 52.037 0.005 0.000 0.837 613 A CB 0.289 19.190 19.000 -0.166 0.000 1.139 613 A HN 0.719 nan 8.150 nan 0.000 0.509 614 Y N -0.651 119.654 120.300 0.009 0.000 2.562 614 Y HA 0.809 5.368 4.550 0.015 0.000 0.345 614 Y C -0.484 175.395 175.900 -0.035 0.000 1.045 614 Y CA -1.048 57.079 58.100 0.044 0.000 1.028 614 Y CB 1.551 40.142 38.460 0.219 0.000 1.297 614 Y HN 0.959 nan 8.280 nan 0.000 0.463 615 A N 2.085 124.850 122.820 -0.090 0.000 2.429 615 A HA 0.640 4.969 4.320 0.016 0.000 0.289 615 A C -1.933 175.395 177.584 -0.427 0.000 1.043 615 A CA -0.782 51.035 52.037 -0.367 0.000 0.722 615 A CB 1.216 19.949 19.000 -0.444 0.000 1.243 615 A HN 0.761 nan 8.150 nan 0.000 0.415 616 V N 4.135 123.811 119.914 -0.397 0.000 2.334 616 V HA 0.296 4.426 4.120 0.016 0.000 0.267 616 V C 0.136 175.943 176.094 -0.478 0.000 1.040 616 V CA -0.097 62.014 62.300 -0.314 0.000 0.866 616 V CB -0.327 31.426 31.823 -0.117 0.000 1.019 616 V HN 0.950 nan 8.190 nan 0.000 0.468 617 H N 1.843 120.642 119.070 -0.451 0.000 2.530 617 H HA 0.312 4.877 4.556 0.015 0.000 0.342 617 H C 0.874 176.106 175.328 -0.161 0.000 1.312 617 H CA -0.588 55.220 56.048 -0.400 0.000 1.376 617 H CB 0.754 30.046 29.762 -0.784 0.000 1.692 617 H HN 0.459 nan 8.280 nan 0.000 0.622 618 D N 0.026 120.495 120.400 0.114 0.000 2.126 618 D HA -0.160 4.490 4.640 0.016 0.000 0.190 618 D C 0.474 176.889 176.300 0.193 0.000 1.001 618 D CA 1.715 55.798 54.000 0.138 0.000 0.841 618 D CB 0.047 40.940 40.800 0.156 0.000 0.949 618 D HN 0.557 nan 8.370 nan 0.000 0.446 619 D N -1.594 118.976 120.400 0.284 0.000 2.503 619 D HA 0.069 4.719 4.640 0.016 0.000 0.218 619 D C 0.190 176.779 176.300 0.483 0.000 1.183 619 D CA -0.149 54.057 54.000 0.344 0.000 0.827 619 D CB 1.413 42.389 40.800 0.292 0.000 1.034 619 D HN 0.355 nan 8.370 nan 0.000 0.510 620 W N 0.499 121.933 121.300 0.224 0.000 3.066 620 W HA 0.512 5.179 4.660 0.013 0.000 0.330 620 W C -2.306 174.397 176.519 0.307 0.000 1.253 620 W CA -0.955 56.538 57.345 0.247 0.000 1.187 620 W CB 0.249 29.798 29.460 0.148 0.000 1.434 620 W HN -0.388 nan 8.180 nan 0.000 0.572 621 I N 2.277 123.069 120.570 0.370 0.000 2.418 621 I HA 0.560 4.740 4.170 0.016 0.000 0.287 621 I C 0.474 176.771 176.117 0.300 0.000 1.008 621 I CA -0.641 60.741 61.300 0.137 0.000 1.104 621 I CB 1.828 39.881 38.000 0.089 0.000 1.264 621 I HN 0.584 nan 8.210 nan 0.000 0.438 622 G N 5.048 113.916 108.800 0.115 0.000 2.415 622 G HA2 0.611 4.581 3.960 0.016 0.000 0.327 622 G HA3 0.611 4.581 3.960 0.016 0.000 0.327 622 G C -1.073 173.972 174.900 0.242 0.000 1.182 622 G CA -0.262 45.040 45.100 0.336 0.000 0.924 622 G HN 0.639 nan 8.290 nan 0.000 0.470 623 C N 1.009 120.451 119.300 0.236 0.000 2.634 623 C HA 0.691 5.161 4.460 0.016 0.000 0.313 623 C C -0.181 174.870 174.990 0.101 0.000 1.198 623 C CA -1.036 58.086 59.018 0.175 0.000 1.605 623 C CB 1.818 29.656 27.740 0.163 0.000 2.196 623 C HN 0.753 nan 8.230 nan 0.000 0.486 624 N N 1.073 119.789 118.700 0.026 0.000 2.549 624 N HA 0.598 5.348 4.740 0.016 0.000 0.281 624 N C -1.503 173.940 175.510 -0.112 0.000 1.084 624 N CA -0.079 52.959 53.050 -0.021 0.000 0.862 624 N CB 1.275 39.746 38.487 -0.026 0.000 1.333 624 N HN 0.444 nan 8.380 nan 0.000 0.523 625 V N 2.040 121.908 119.914 -0.077 0.000 2.495 625 V HA 0.668 4.797 4.120 0.016 0.000 0.298 625 V C -0.031 176.024 176.094 -0.065 0.000 1.031 625 V CA -0.715 61.529 62.300 -0.094 0.000 0.871 625 V CB 1.509 33.319 31.823 -0.023 0.000 0.988 625 V HN 0.774 nan 8.190 nan 0.000 0.432 626 S N 3.164 118.800 115.700 -0.107 0.000 2.566 626 S HA 0.970 5.449 4.470 0.016 0.000 0.298 626 S C -0.480 174.064 174.600 -0.094 0.000 1.083 626 S CA -0.239 57.887 58.200 -0.123 0.000 0.978 626 S CB 2.139 65.201 63.200 -0.230 0.000 1.073 626 S HN 1.256 nan 8.310 nan 0.000 0.491 627 S N 1.075 116.672 115.700 -0.172 0.000 2.611 627 S HA 0.703 5.182 4.470 0.016 0.000 0.268 627 S C -1.481 172.948 174.600 -0.285 0.000 1.156 627 S CA -0.750 57.290 58.200 -0.267 0.000 0.817 627 S CB 0.239 63.380 63.200 -0.098 0.000 1.122 627 S HN 0.702 nan 8.310 nan 0.000 0.466 628 Y N 0.695 120.925 120.300 -0.117 0.000 3.136 628 Y HA 0.563 5.123 4.550 0.017 0.000 0.366 628 Y C 2.454 178.318 175.900 -0.060 0.000 1.255 628 Y CA -0.326 57.724 58.100 -0.083 0.000 1.071 628 Y CB -0.283 38.109 38.460 -0.112 0.000 1.301 628 Y HN 0.739 nan 8.280 nan 0.000 0.848 629 S N -0.560 115.231 115.700 0.151 0.000 2.404 629 S HA 0.011 4.490 4.470 0.016 0.000 0.223 629 S C 1.924 176.548 174.600 0.039 0.000 1.040 629 S CA 0.739 58.977 58.200 0.063 0.000 0.957 629 S CB -0.764 62.450 63.200 0.024 0.000 0.826 629 S HN 0.781 nan 8.310 nan 0.000 0.491 630 G N 1.943 110.753 108.800 0.016 0.000 2.708 630 G HA2 -0.001 3.969 3.960 0.016 0.000 0.210 630 G HA3 -0.001 3.969 3.960 0.016 0.000 0.210 630 G C 0.505 175.400 174.900 -0.008 0.000 1.141 630 G CA 0.225 45.324 45.100 -0.002 0.000 0.788 630 G HN 0.153 nan 8.290 nan 0.000 0.531 631 R N -1.051 119.433 120.500 -0.025 0.000 2.836 631 R HA 0.362 4.712 4.340 0.016 0.000 0.269 631 R C -1.680 174.688 176.300 0.115 0.000 1.010 631 R CA -0.956 55.132 56.100 -0.020 0.000 0.930 631 R CB 1.196 31.218 30.300 -0.462 0.000 1.218 631 R HN 0.053 nan 8.270 nan 0.000 0.473 632 N N -0.064 118.815 118.700 0.299 0.000 2.372 632 N HA 0.395 5.145 4.740 0.016 0.000 0.285 632 N C -0.106 175.654 175.510 0.415 0.000 1.008 632 N CA -0.158 53.059 53.050 0.279 0.000 0.880 632 N CB 1.992 40.600 38.487 0.202 0.000 1.239 632 N HN 0.606 nan 8.380 nan 0.000 0.484 633 A N 4.281 127.291 122.820 0.318 0.000 1.844 633 A HA 0.014 4.344 4.320 0.016 0.000 0.212 633 A C 1.975 179.658 177.584 0.165 0.000 1.221 633 A CA 0.711 52.935 52.037 0.312 0.000 0.607 633 A CB -0.559 18.565 19.000 0.208 0.000 0.878 633 A HN 0.772 nan 8.150 nan 0.000 0.451 634 R N -0.467 120.075 120.500 0.071 0.000 2.140 634 R HA -0.240 4.109 4.340 0.016 0.000 0.250 634 R C 2.011 178.196 176.300 -0.192 0.000 1.150 634 R CA 2.099 58.152 56.100 -0.079 0.000 0.966 634 R CB -0.267 30.028 30.300 -0.008 0.000 0.869 634 R HN 0.544 nan 8.270 nan 0.000 0.445 635 E N -0.293 119.925 120.200 0.030 0.000 2.072 635 E HA -0.158 4.202 4.350 0.016 0.000 0.190 635 E C 1.658 178.312 176.600 0.089 0.000 0.982 635 E CA 0.844 57.302 56.400 0.097 0.000 0.803 635 E CB -0.288 29.482 29.700 0.117 0.000 0.755 635 E HN 0.354 nan 8.360 nan 0.000 0.453 636 F N 0.943 120.888 119.950 -0.008 0.000 2.365 636 F HA -0.067 4.470 4.527 0.017 0.000 0.300 636 F C 1.938 177.676 175.800 -0.103 0.000 1.090 636 F CA 0.731 58.697 58.000 -0.057 0.000 1.408 636 F CB 0.013 38.913 39.000 -0.166 0.000 1.060 636 F HN -0.044 nan 8.300 nan 0.000 0.534 637 L N -1.048 120.075 121.223 -0.167 0.000 2.270 637 L HA -0.121 4.229 4.340 0.016 0.000 0.210 637 L C 2.114 178.863 176.870 -0.202 0.000 1.104 637 L CA 0.846 55.537 54.840 -0.248 0.000 0.804 637 L CB -0.689 41.264 42.059 -0.176 0.000 0.937 637 L HN 0.143 nan 8.230 nan 0.000 0.450 638 H N -2.045 116.989 119.070 -0.061 0.000 2.457 638 H HA -0.143 4.423 4.556 0.016 0.000 0.294 638 H C 2.336 177.614 175.328 -0.084 0.000 1.064 638 H CA 1.184 57.203 56.048 -0.048 0.000 1.330 638 H CB 0.082 29.832 29.762 -0.020 0.000 1.395 638 H HN 0.346 nan 8.280 nan 0.000 0.541 639 C N -0.447 118.824 119.300 -0.048 0.000 2.475 639 C HA -0.039 4.431 4.460 0.016 0.000 0.279 639 C C 2.726 177.609 174.990 -0.178 0.000 1.322 639 C CA 0.308 59.262 59.018 -0.107 0.000 1.734 639 C CB -0.370 27.291 27.740 -0.131 0.000 2.005 639 C HN 0.395 nan 8.230 nan 0.000 0.495 640 V N 0.546 120.281 119.914 -0.299 0.000 2.515 640 V HA -0.211 3.918 4.120 0.016 0.000 0.250 640 V C 2.457 178.452 176.094 -0.165 0.000 1.058 640 V CA 1.952 64.085 62.300 -0.278 0.000 1.064 640 V CB -0.697 30.939 31.823 -0.312 0.000 0.675 640 V HN 0.512 nan 8.190 nan 0.000 0.461 641 Q N 0.983 120.751 119.800 -0.054 0.000 1.975 641 Q HA -0.278 4.072 4.340 0.016 0.000 0.205 641 Q C 2.199 178.234 176.000 0.058 0.000 0.990 641 Q CA 2.591 58.441 55.803 0.080 0.000 0.845 641 Q CB -0.395 28.415 28.738 0.119 0.000 0.913 641 Q HN 0.568 nan 8.270 nan 0.000 0.420 642 K N -0.588 119.824 120.400 0.021 0.000 2.032 642 K HA -0.128 4.202 4.320 0.016 0.000 0.209 642 K C 2.083 178.676 176.600 -0.011 0.000 1.048 642 K CA 1.904 58.202 56.287 0.019 0.000 0.927 642 K CB -0.934 31.575 32.500 0.015 0.000 0.712 642 K HN 0.397 nan 8.250 nan 0.000 0.441 643 C N 0.536 119.793 119.300 -0.071 0.000 2.403 643 C HA -0.076 4.394 4.460 0.016 0.000 0.277 643 C C 2.522 177.400 174.990 -0.186 0.000 1.248 643 C CA 0.807 59.746 59.018 -0.131 0.000 1.762 643 C CB -1.011 26.619 27.740 -0.183 0.000 2.014 643 C HN 0.511 nan 8.230 nan 0.000 0.486 644 L N 0.085 121.159 121.223 -0.248 0.000 2.131 644 L HA -0.061 4.289 4.340 0.016 0.000 0.206 644 L C 2.736 179.482 176.870 -0.207 0.000 1.087 644 L CA 1.051 55.627 54.840 -0.439 0.000 0.767 644 L CB -0.591 40.787 42.059 -1.135 0.000 0.917 644 L HN 0.285 nan 8.230 nan 0.000 0.441 645 E N 0.393 120.607 120.200 0.023 0.000 2.051 645 E HA -0.213 4.146 4.350 0.016 0.000 0.192 645 E C 1.737 178.421 176.600 0.139 0.000 0.991 645 E CA 1.353 57.815 56.400 0.104 0.000 0.799 645 E CB -0.321 29.433 29.700 0.089 0.000 0.748 645 E HN 0.472 nan 8.360 nan 0.000 0.449 646 D N 0.605 121.085 120.400 0.133 0.000 2.178 646 D HA -0.094 4.555 4.640 0.016 0.000 0.201 646 D C 2.140 178.627 176.300 0.313 0.000 0.980 646 D CA 0.449 54.585 54.000 0.227 0.000 0.842 646 D CB -0.267 40.694 40.800 0.268 0.000 0.948 646 D HN 0.197 nan 8.370 nan 0.000 0.472 647 I N 0.130 120.811 120.570 0.185 0.000 2.142 647 I HA -0.277 3.902 4.170 0.016 0.000 0.240 647 I C 2.069 178.425 176.117 0.399 0.000 1.078 647 I CA 0.959 62.377 61.300 0.197 0.000 1.343 647 I CB -0.166 37.860 38.000 0.042 0.000 1.046 647 I HN -0.100 nan 8.210 nan 0.000 0.405 648 F N 1.243 121.261 119.950 0.114 0.000 2.134 648 F HA -0.223 4.314 4.527 0.017 0.000 0.299 648 F C 2.332 178.224 175.800 0.154 0.000 1.097 648 F CA 1.204 59.291 58.000 0.145 0.000 1.264 648 F CB -0.998 38.013 39.000 0.019 0.000 1.001 648 F HN 0.129 nan 8.300 nan 0.000 0.479 649 D N -0.053 120.542 120.400 0.325 0.000 2.144 649 D HA -0.142 4.508 4.640 0.016 0.000 0.199 649 D C 2.342 178.761 176.300 0.199 0.000 0.984 649 D CA 1.413 55.543 54.000 0.216 0.000 0.834 649 D CB -0.550 40.352 40.800 0.170 0.000 0.955 649 D HN 0.227 nan 8.370 nan 0.000 0.465 650 A N 0.287 123.252 122.820 0.241 0.000 1.969 650 A HA -0.064 4.266 4.320 0.016 0.000 0.218 650 A C 2.290 179.981 177.584 0.178 0.000 1.169 650 A CA 0.727 52.889 52.037 0.208 0.000 0.635 650 A CB -0.509 18.688 19.000 0.328 0.000 0.810 650 A HN 0.217 nan 8.150 nan 0.000 0.445 651 L N -1.450 119.899 121.223 0.210 0.000 2.341 651 L HA 0.007 4.357 4.340 0.016 0.000 0.214 651 L C 2.012 178.996 176.870 0.189 0.000 1.115 651 L CA 0.810 55.750 54.840 0.166 0.000 0.820 651 L CB -0.158 42.000 42.059 0.165 0.000 0.944 651 L HN 0.383 nan 8.230 nan 0.000 0.452 652 E N -0.131 120.207 120.200 0.229 0.000 2.489 652 E HA 0.056 4.415 4.350 0.016 0.000 0.193 652 E C 1.236 177.910 176.600 0.122 0.000 1.057 652 E CA 0.441 56.958 56.400 0.196 0.000 0.866 652 E CB 0.223 30.036 29.700 0.188 0.000 0.916 652 E HN 0.412 nan 8.360 nan 0.000 0.500 653 G N 1.553 110.415 108.800 0.103 0.000 2.153 653 G HA2 -0.340 3.629 3.960 0.016 0.000 0.252 653 G HA3 -0.340 3.629 3.960 0.016 0.000 0.252 653 G C 0.319 175.257 174.900 0.064 0.000 0.994 653 G CA 0.456 45.599 45.100 0.072 0.000 0.698 653 G HN 0.173 nan 8.290 nan 0.000 0.521 654 K N 0.000 120.446 120.400 0.076 0.000 2.780 654 K HA 0.000 4.330 4.320 0.016 0.000 0.191 654 K CA 0.000 56.324 56.287 0.062 0.000 0.838 654 K CB 0.000 32.544 32.500 0.074 0.000 1.064 654 K HN 0.000 nan 8.250 nan 0.000 0.543