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 3dfn_1_C DATA FIRST_RESID 1 DATA SEQUENCE PHSHPALTPE QKKELSDIAH RIVAPGKGIL AANESTGSIA KRLQSIGTEN DATA SEQUENCE TEENRRFYRQ LLLTADDRVN PCIGGVILFH ETLYQKADDG RPFPQVIKSK DATA SEQUENCE GGVVGIKVDK GVVPLAGTNG ETTTQGLDGL SERCAQYKKD GADFAKWRCV DATA SEQUENCE LKIGEHTPSA LAIMENANVL ARYASICQQN GIVPIVEPEI LPDGDHDLKR DATA SEQUENCE CQYVTEKVLA AVYKALSDHH IYLEGTLLKP NMVTPGHACT QKYSHEEIAM DATA SEQUENCE ATVTALRRTV PPAVTGVTFL SGGQSEEEAS INLNAINKCP LLKPWALTFS DATA SEQUENCE YGRALQASAL KAWGGKKENL KAAQEEYVKR ALANSLACQG KYTPSGQAXX DATA SEQUENCE XXXXXXXXSN HAY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.105 177.300 -0.325 0.000 1.155 1 P CA 0.000 63.012 63.100 -0.147 0.000 0.800 1 P CB 0.000 31.578 31.700 -0.203 0.000 0.726 2 H N 0.729 119.807 119.070 0.013 0.000 2.495 2 H HA 0.502 5.058 4.556 -0.000 0.000 0.348 2 H C -0.480 174.770 175.328 -0.129 0.000 1.113 2 H CA -0.385 55.627 56.048 -0.060 0.000 1.195 2 H CB 2.657 32.396 29.762 -0.037 0.000 1.521 2 H HN -0.016 nan 8.280 nan 0.000 0.509 3 S N 1.863 117.486 115.700 -0.128 0.000 2.562 3 S HA 0.215 4.685 4.470 -0.000 0.000 0.275 3 S C -0.556 173.773 174.600 -0.452 0.000 1.281 3 S CA -0.421 57.659 58.200 -0.200 0.000 1.045 3 S CB 0.050 63.171 63.200 -0.132 0.000 0.962 3 S HN 0.665 nan 8.310 nan 0.000 0.503 4 H N 2.682 121.686 119.070 -0.110 0.000 2.429 4 H HA 0.339 4.896 4.556 0.001 0.000 0.231 4 H C -2.446 172.817 175.328 -0.110 0.000 1.416 4 H CA -1.140 54.855 56.048 -0.089 0.000 1.443 4 H CB 0.106 29.819 29.762 -0.081 0.000 1.591 4 H HN 0.539 nan 8.280 nan 0.000 0.507 5 P HA -0.159 nan 4.420 nan 0.000 0.255 5 P C 0.586 177.870 177.300 -0.026 0.000 1.123 5 P CA 0.444 63.517 63.100 -0.045 0.000 0.766 5 P CB 0.650 32.322 31.700 -0.047 0.000 0.705 6 A N 4.042 126.846 122.820 -0.026 0.000 2.016 6 A HA 0.103 4.423 4.320 -0.000 0.000 0.217 6 A C 0.702 178.272 177.584 -0.023 0.000 1.162 6 A CA 0.961 52.997 52.037 -0.002 0.000 0.662 6 A CB -0.102 18.922 19.000 0.040 0.000 0.812 6 A HN 0.506 nan 8.150 nan 0.000 0.450 7 L N -0.368 120.820 121.223 -0.058 0.000 2.388 7 L HA 0.414 4.754 4.340 -0.000 0.000 0.264 7 L C 0.192 176.997 176.870 -0.109 0.000 0.998 7 L CA -0.843 53.940 54.840 -0.096 0.000 0.817 7 L CB 2.329 44.287 42.059 -0.168 0.000 1.338 7 L HN 0.207 nan 8.230 nan 0.000 0.414 8 T N -2.397 112.100 114.554 -0.095 0.000 2.847 8 T HA 0.340 4.690 4.350 -0.000 0.000 0.279 8 T C -2.098 172.535 174.700 -0.112 0.000 0.984 8 T CA -1.714 60.337 62.100 -0.083 0.000 0.988 8 T CB 1.485 70.320 68.868 -0.055 0.000 1.040 8 T HN 0.303 nan 8.240 nan 0.000 0.528 9 P HA -0.053 nan 4.420 nan 0.000 0.216 9 P C 1.212 178.465 177.300 -0.078 0.000 1.150 9 P CA 0.982 64.029 63.100 -0.088 0.000 0.837 9 P CB 0.052 31.720 31.700 -0.053 0.000 0.786 10 E N -0.541 119.625 120.200 -0.058 0.000 2.072 10 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 10 E C 2.138 178.711 176.600 -0.045 0.000 0.985 10 E CA 1.174 57.550 56.400 -0.040 0.000 0.801 10 E CB -0.846 28.837 29.700 -0.028 0.000 0.750 10 E HN 0.382 nan 8.360 nan 0.000 0.452 11 Q N 0.367 120.128 119.800 -0.066 0.000 2.079 11 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 11 Q C 2.027 177.968 176.000 -0.098 0.000 0.974 11 Q CA 1.188 56.951 55.803 -0.066 0.000 0.840 11 Q CB -0.089 28.605 28.738 -0.073 0.000 0.898 11 Q HN 0.183 nan 8.270 nan 0.000 0.430 12 K N 0.871 121.143 120.400 -0.213 0.000 2.026 12 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 12 K C 2.098 178.680 176.600 -0.028 0.000 1.048 12 K CA 1.121 57.176 56.287 -0.388 0.000 0.929 12 K CB -0.099 31.993 32.500 -0.680 0.000 0.713 12 K HN 0.031 nan 8.250 nan 0.000 0.439 13 K N 1.498 121.888 120.400 -0.015 0.000 2.063 13 K HA -0.227 4.092 4.320 -0.000 0.000 0.208 13 K C 2.090 178.726 176.600 0.061 0.000 1.048 13 K CA 1.579 57.892 56.287 0.042 0.000 0.928 13 K CB 0.036 32.541 32.500 0.008 0.000 0.713 13 K HN 0.133 nan 8.250 nan 0.000 0.442 14 E N 0.548 120.772 120.200 0.040 0.000 2.051 14 E HA -0.199 4.150 4.350 -0.000 0.000 0.192 14 E C 2.122 178.773 176.600 0.085 0.000 0.991 14 E CA 1.231 57.660 56.400 0.049 0.000 0.799 14 E CB -0.036 29.683 29.700 0.032 0.000 0.748 14 E HN 0.342 nan 8.360 nan 0.000 0.449 15 L N 0.170 121.462 121.223 0.115 0.000 2.056 15 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 15 L C 2.796 179.781 176.870 0.191 0.000 1.078 15 L CA 1.123 56.059 54.840 0.160 0.000 0.749 15 L CB -0.428 41.765 42.059 0.224 0.000 0.901 15 L HN 0.133 nan 8.230 nan 0.000 0.433 16 S N -0.369 115.489 115.700 0.264 0.000 2.368 16 S HA -0.192 4.278 4.470 -0.000 0.000 0.224 16 S C 1.635 176.391 174.600 0.260 0.000 1.029 16 S CA 1.519 59.880 58.200 0.268 0.000 0.988 16 S CB -0.197 63.171 63.200 0.279 0.000 0.838 16 S HN 0.390 nan 8.310 nan 0.000 0.462 17 D N 1.252 121.736 120.400 0.140 0.000 2.117 17 D HA -0.024 4.616 4.640 -0.000 0.000 0.197 17 D C 1.896 178.255 176.300 0.098 0.000 0.987 17 D CA 1.028 55.081 54.000 0.089 0.000 0.829 17 D CB -0.386 40.439 40.800 0.042 0.000 0.961 17 D HN 0.458 nan 8.370 nan 0.000 0.460 18 I N 1.204 121.825 120.570 0.085 0.000 2.179 18 I HA -0.264 3.905 4.170 -0.000 0.000 0.242 18 I C 2.502 178.624 176.117 0.009 0.000 1.088 18 I CA 1.086 62.419 61.300 0.055 0.000 1.357 18 I CB -0.262 37.782 38.000 0.073 0.000 1.051 18 I HN -0.074 nan 8.210 nan 0.000 0.409 19 A N 0.215 123.044 122.820 0.014 0.000 1.908 19 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 19 A C 2.054 179.552 177.584 -0.143 0.000 1.181 19 A CA 1.971 53.952 52.037 -0.095 0.000 0.627 19 A CB -1.061 17.877 19.000 -0.104 0.000 0.818 19 A HN 0.454 nan 8.150 nan 0.000 0.445 20 H N -0.818 118.212 119.070 -0.067 0.000 2.423 20 H HA 0.037 4.593 4.556 -0.001 0.000 0.297 20 H C 2.312 177.596 175.328 -0.074 0.000 1.075 20 H CA 1.469 57.479 56.048 -0.063 0.000 1.342 20 H CB -0.013 29.727 29.762 -0.037 0.000 1.395 20 H HN 0.415 nan 8.280 nan 0.000 0.530 21 R N 0.068 120.594 120.500 0.044 0.000 2.092 21 R HA -0.067 4.273 4.340 -0.000 0.000 0.231 21 R C 2.086 178.339 176.300 -0.078 0.000 1.119 21 R CA 1.331 57.426 56.100 -0.007 0.000 0.970 21 R CB -0.223 30.078 30.300 0.000 0.000 0.864 21 R HN 0.347 nan 8.270 nan 0.000 0.440 22 I N 0.794 121.274 120.570 -0.150 0.000 2.226 22 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 22 I C 1.704 177.668 176.117 -0.254 0.000 1.100 22 I CA 1.166 62.310 61.300 -0.261 0.000 1.374 22 I CB -0.041 37.690 38.000 -0.449 0.000 1.057 22 I HN 0.036 nan 8.210 nan 0.000 0.413 23 V N -1.537 118.246 119.914 -0.218 0.000 3.043 23 V HA 0.557 4.676 4.120 -0.000 0.000 0.357 23 V C 0.791 176.813 176.094 -0.121 0.000 1.372 23 V CA -0.811 61.366 62.300 -0.205 0.000 1.214 23 V CB -0.943 30.746 31.823 -0.224 0.000 1.224 23 V HN 0.152 nan 8.190 nan 0.000 0.507 24 A N 1.480 124.250 122.820 -0.082 0.000 2.507 24 A HA 0.490 4.810 4.320 -0.000 0.000 0.235 24 A C -1.983 175.583 177.584 -0.030 0.000 1.070 24 A CA -0.779 51.239 52.037 -0.031 0.000 0.768 24 A CB -0.650 18.340 19.000 -0.017 0.000 1.011 24 A HN 0.500 nan 8.150 nan 0.000 0.502 25 P HA 0.142 nan 4.420 nan 0.000 0.257 25 P C 1.012 178.318 177.300 0.009 0.000 1.162 25 P CA 2.227 65.330 63.100 0.005 0.000 0.762 25 P CB 0.215 31.922 31.700 0.012 0.000 0.753 26 G N 2.218 111.032 108.800 0.023 0.000 2.176 26 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.253 26 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.253 26 G C 0.021 174.953 174.900 0.054 0.000 0.979 26 G CA -0.138 44.991 45.100 0.047 0.000 0.641 26 G HN 0.536 nan 8.290 nan 0.000 0.530 27 K N 0.127 120.518 120.400 -0.015 0.000 2.156 27 K HA 0.697 5.016 4.320 -0.000 0.000 0.250 27 K C 0.475 176.884 176.600 -0.317 0.000 0.955 27 K CA -0.251 55.986 56.287 -0.083 0.000 0.855 27 K CB 2.115 34.557 32.500 -0.097 0.000 1.101 27 K HN 0.392 nan 8.250 nan 0.000 0.434 28 G N 0.855 109.283 108.800 -0.621 0.000 2.870 28 G HA2 0.629 4.589 3.960 -0.000 0.000 0.299 28 G HA3 0.629 4.589 3.960 -0.000 0.000 0.299 28 G C -1.281 173.067 174.900 -0.919 0.000 1.324 28 G CA -0.810 43.390 45.100 -1.500 0.000 0.808 28 G HN 0.441 nan 8.290 nan 0.000 0.535 29 I N 0.354 120.404 120.570 -0.867 0.000 2.474 29 I HA 0.363 4.533 4.170 -0.000 0.000 0.294 29 I C -0.944 175.198 176.117 0.042 0.000 1.005 29 I CA -0.786 60.358 61.300 -0.261 0.000 1.113 29 I CB 2.142 40.034 38.000 -0.180 0.000 1.289 29 I HN 0.309 nan 8.210 nan 0.000 0.436 30 L N 6.724 128.031 121.223 0.139 0.000 2.257 30 L HA 0.614 4.954 4.340 -0.000 0.000 0.290 30 L C 0.084 177.036 176.870 0.137 0.000 1.044 30 L CA -0.030 54.933 54.840 0.206 0.000 0.810 30 L CB 0.947 43.120 42.059 0.189 0.000 1.193 30 L HN 0.668 nan 8.230 nan 0.000 0.425 31 A N 4.972 127.885 122.820 0.155 0.000 2.650 31 A HA 0.688 5.008 4.320 -0.000 0.000 0.320 31 A C 0.601 178.227 177.584 0.070 0.000 1.466 31 A CA 0.128 52.235 52.037 0.116 0.000 1.099 31 A CB -0.085 19.000 19.000 0.143 0.000 1.136 31 A HN 1.084 nan 8.150 nan 0.000 0.532 32 A N 3.059 125.890 122.820 0.017 0.000 2.701 32 A HA 0.209 4.529 4.320 -0.000 0.000 0.297 32 A C 0.791 178.374 177.584 -0.001 0.000 1.197 32 A CA -0.187 51.833 52.037 -0.027 0.000 0.963 32 A CB -0.343 18.573 19.000 -0.140 0.000 1.175 32 A HN 0.812 nan 8.150 nan 0.000 0.531 33 N N 0.102 118.824 118.700 0.036 0.000 2.322 33 N HA 0.009 4.749 4.740 -0.000 0.000 0.216 33 N C -0.716 174.829 175.510 0.059 0.000 1.144 33 N CA -0.073 53.032 53.050 0.092 0.000 0.830 33 N CB 0.146 38.686 38.487 0.089 0.000 1.034 33 N HN 0.413 nan 8.380 nan 0.000 0.484 34 E N 1.365 121.552 120.200 -0.022 0.000 2.414 34 E HA 0.036 4.386 4.350 -0.000 0.000 0.263 34 E C 0.460 176.817 176.600 -0.404 0.000 1.000 34 E CA -0.121 56.205 56.400 -0.124 0.000 0.914 34 E CB 0.604 30.270 29.700 -0.058 0.000 0.948 34 E HN 0.397 nan 8.360 nan 0.000 0.444 35 S N 1.557 116.920 115.700 -0.562 0.000 2.661 35 S HA 0.127 4.597 4.470 -0.000 0.000 0.265 35 S C 1.088 175.365 174.600 -0.539 0.000 1.225 35 S CA -0.451 57.122 58.200 -1.044 0.000 0.986 35 S CB 1.066 63.881 63.200 -0.641 0.000 1.008 35 S HN 0.499 nan 8.310 nan 0.000 0.565 36 T N 1.287 115.581 114.554 -0.434 0.000 2.665 36 T HA -0.055 4.295 4.350 -0.000 0.000 0.268 36 T C 2.054 176.681 174.700 -0.123 0.000 1.035 36 T CA 1.889 63.886 62.100 -0.172 0.000 1.151 36 T CB -1.305 67.525 68.868 -0.063 0.000 0.862 36 T HN 0.856 nan 8.240 nan 0.000 0.438 37 G N 0.909 109.639 108.800 -0.118 0.000 2.440 37 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 37 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 37 G C 1.894 176.746 174.900 -0.080 0.000 1.154 37 G CA 1.206 46.258 45.100 -0.078 0.000 0.767 37 G HN 0.508 nan 8.290 nan 0.000 0.552 38 S N 0.249 115.884 115.700 -0.108 0.000 2.338 38 S HA -0.049 4.420 4.470 -0.000 0.000 0.218 38 S C 2.166 176.727 174.600 -0.066 0.000 1.032 38 S CA 0.867 59.017 58.200 -0.083 0.000 0.999 38 S CB -0.342 62.800 63.200 -0.096 0.000 0.905 38 S HN 0.356 nan 8.310 nan 0.000 0.439 39 I N 1.560 122.084 120.570 -0.078 0.000 2.850 39 I HA -0.193 3.977 4.170 -0.000 0.000 0.266 39 I C 2.172 178.261 176.117 -0.048 0.000 1.257 39 I CA 0.604 61.874 61.300 -0.050 0.000 1.465 39 I CB -0.330 37.651 38.000 -0.031 0.000 1.091 39 I HN 0.269 nan 8.210 nan 0.000 0.467 40 A N 0.741 123.531 122.820 -0.049 0.000 1.865 40 A HA -0.251 4.068 4.320 -0.000 0.000 0.217 40 A C 2.369 179.928 177.584 -0.042 0.000 1.191 40 A CA 1.601 53.614 52.037 -0.040 0.000 0.623 40 A CB -0.570 18.407 19.000 -0.037 0.000 0.826 40 A HN 0.287 nan 8.150 nan 0.000 0.444 41 K N 0.013 120.388 120.400 -0.041 0.000 2.097 41 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 41 K C 2.200 178.773 176.600 -0.045 0.000 1.049 41 K CA 1.333 57.596 56.287 -0.039 0.000 0.933 41 K CB -0.349 32.131 32.500 -0.033 0.000 0.717 41 K HN 0.530 nan 8.250 nan 0.000 0.442 42 R N 0.144 120.615 120.500 -0.048 0.000 2.081 42 R HA -0.038 4.302 4.340 -0.000 0.000 0.235 42 R C 2.509 178.760 176.300 -0.082 0.000 1.131 42 R CA 1.208 57.273 56.100 -0.059 0.000 0.960 42 R CB -0.338 29.924 30.300 -0.064 0.000 0.856 42 R HN 0.162 nan 8.270 nan 0.000 0.436 43 L N 0.358 121.531 121.223 -0.083 0.000 2.093 43 L HA -0.179 4.160 4.340 -0.000 0.000 0.208 43 L C 2.624 179.435 176.870 -0.098 0.000 1.085 43 L CA 1.049 55.833 54.840 -0.094 0.000 0.755 43 L CB -0.372 41.653 42.059 -0.056 0.000 0.904 43 L HN 0.142 nan 8.230 nan 0.000 0.435 44 Q N 0.511 120.268 119.800 -0.073 0.000 2.167 44 Q HA -0.167 4.172 4.340 -0.000 0.000 0.202 44 Q C 2.317 178.275 176.000 -0.070 0.000 0.970 44 Q CA 1.892 57.654 55.803 -0.067 0.000 0.855 44 Q CB -0.232 28.476 28.738 -0.050 0.000 0.911 44 Q HN 0.527 nan 8.270 nan 0.000 0.438 45 S N -0.216 115.444 115.700 -0.066 0.000 2.442 45 S HA -0.131 4.338 4.470 -0.000 0.000 0.236 45 S C 1.496 176.053 174.600 -0.072 0.000 1.007 45 S CA 1.079 59.244 58.200 -0.059 0.000 0.965 45 S CB -0.631 62.541 63.200 -0.047 0.000 0.773 45 S HN 0.619 nan 8.310 nan 0.000 0.504 46 I N -3.334 117.175 120.570 -0.102 0.000 3.947 46 I HA 0.577 4.747 4.170 -0.000 0.000 0.327 46 I C 0.847 176.865 176.117 -0.165 0.000 1.519 46 I CA -0.263 60.956 61.300 -0.135 0.000 1.122 46 I CB -0.231 37.664 38.000 -0.176 0.000 1.146 46 I HN 0.211 nan 8.210 nan 0.000 0.442 47 G N 2.259 110.981 108.800 -0.130 0.000 2.372 47 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.297 47 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.297 47 G C -0.131 174.673 174.900 -0.160 0.000 1.005 47 G CA 0.661 45.687 45.100 -0.124 0.000 1.173 47 G HN 0.507 nan 8.290 nan 0.000 0.511 48 T N -0.000 114.453 114.554 -0.167 0.000 2.841 48 T HA 0.429 4.778 4.350 -0.000 0.000 0.285 48 T C 0.122 174.762 174.700 -0.100 0.000 0.991 48 T CA -0.546 61.442 62.100 -0.186 0.000 0.966 48 T CB 1.957 70.637 68.868 -0.315 0.000 0.962 48 T HN 0.492 nan 8.240 nan 0.000 0.438 49 E N 2.549 122.706 120.200 -0.072 0.000 2.465 49 E HA -0.048 4.302 4.350 -0.000 0.000 0.260 49 E C 0.069 176.669 176.600 0.001 0.000 0.980 49 E CA -0.143 56.238 56.400 -0.031 0.000 0.927 49 E CB 0.338 30.025 29.700 -0.022 0.000 0.934 49 E HN 0.435 nan 8.360 nan 0.000 0.459 50 N N 3.682 122.384 118.700 0.005 0.000 2.807 50 N HA 0.035 4.774 4.740 -0.000 0.000 0.259 50 N C -1.291 174.245 175.510 0.043 0.000 1.149 50 N CA -0.107 52.959 53.050 0.026 0.000 1.042 50 N CB 0.335 38.826 38.487 0.007 0.000 1.367 50 N HN 0.448 nan 8.380 nan 0.000 0.516 51 T N -1.372 113.223 114.554 0.068 0.000 2.942 51 T HA 0.289 4.638 4.350 -0.000 0.000 0.289 51 T C 0.948 175.713 174.700 0.109 0.000 1.044 51 T CA -0.806 61.340 62.100 0.076 0.000 1.023 51 T CB 1.571 70.480 68.868 0.068 0.000 1.123 51 T HN 0.360 nan 8.240 nan 0.000 0.512 52 E N -0.021 120.244 120.200 0.109 0.000 2.118 52 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 52 E C 1.725 178.421 176.600 0.160 0.000 0.992 52 E CA 1.457 57.938 56.400 0.135 0.000 0.804 52 E CB -0.015 29.759 29.700 0.124 0.000 0.741 52 E HN 0.752 nan 8.360 nan 0.000 0.458 53 E N 0.882 121.169 120.200 0.145 0.000 2.106 53 E HA -0.160 4.189 4.350 -0.000 0.000 0.192 53 E C 1.674 178.415 176.600 0.235 0.000 0.984 53 E CA 1.411 57.912 56.400 0.169 0.000 0.806 53 E CB -0.179 29.595 29.700 0.124 0.000 0.750 53 E HN 0.257 nan 8.360 nan 0.000 0.458 54 N N 0.264 119.099 118.700 0.226 0.000 2.188 54 N HA -0.077 4.663 4.740 -0.000 0.000 0.184 54 N C 1.774 177.511 175.510 0.378 0.000 1.018 54 N CA 0.914 54.163 53.050 0.331 0.000 0.858 54 N CB -0.166 38.478 38.487 0.262 0.000 0.989 54 N HN 0.208 nan 8.380 nan 0.000 0.426 55 R N 0.816 121.479 120.500 0.271 0.000 2.092 55 R HA 0.009 4.349 4.340 -0.000 0.000 0.231 55 R C 2.275 178.715 176.300 0.235 0.000 1.119 55 R CA 0.635 56.885 56.100 0.250 0.000 0.970 55 R CB -0.149 30.263 30.300 0.186 0.000 0.864 55 R HN 0.211 nan 8.270 nan 0.000 0.440 56 R N 0.236 120.889 120.500 0.255 0.000 2.075 56 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 56 R C 2.065 178.509 176.300 0.240 0.000 1.126 56 R CA 1.355 57.629 56.100 0.290 0.000 0.963 56 R CB -0.277 30.198 30.300 0.292 0.000 0.858 56 R HN 0.131 nan 8.270 nan 0.000 0.435 57 F N 0.412 120.433 119.950 0.119 0.000 2.134 57 F HA -0.261 4.266 4.527 -0.001 0.000 0.299 57 F C 2.054 177.750 175.800 -0.173 0.000 1.097 57 F CA 1.621 59.641 58.000 0.032 0.000 1.264 57 F CB -0.530 38.537 39.000 0.111 0.000 1.001 57 F HN 0.087 nan 8.300 nan 0.000 0.479 58 Y N 1.041 121.179 120.300 -0.271 0.000 2.145 58 Y HA -0.177 4.373 4.550 -0.001 0.000 0.286 58 Y C 2.464 178.064 175.900 -0.500 0.000 1.145 58 Y CA 1.779 59.512 58.100 -0.612 0.000 1.148 58 Y CB -0.669 37.569 38.460 -0.370 0.000 0.981 58 Y HN -0.125 nan 8.280 nan 0.000 0.507 59 R N 0.540 120.757 120.500 -0.470 0.000 2.096 59 R HA -0.168 4.171 4.340 -0.000 0.000 0.235 59 R C 2.425 178.266 176.300 -0.766 0.000 1.127 59 R CA 1.707 57.412 56.100 -0.659 0.000 0.968 59 R CB -0.901 29.097 30.300 -0.503 0.000 0.861 59 R HN 0.629 nan 8.270 nan 0.000 0.440 60 Q N 0.283 119.735 119.800 -0.580 0.000 2.124 60 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 60 Q C 1.986 177.693 176.000 -0.488 0.000 0.977 60 Q CA 1.452 57.010 55.803 -0.409 0.000 0.850 60 Q CB -0.192 28.505 28.738 -0.069 0.000 0.901 60 Q HN 0.432 nan 8.270 nan 0.000 0.429 61 L N 0.241 121.060 121.223 -0.673 0.000 2.042 61 L HA -0.212 4.127 4.340 -0.000 0.000 0.210 61 L C 2.083 178.633 176.870 -0.533 0.000 1.076 61 L CA 1.253 55.708 54.840 -0.641 0.000 0.749 61 L CB -0.118 41.468 42.059 -0.788 0.000 0.893 61 L HN 0.341 nan 8.230 nan 0.000 0.432 62 L N -0.885 119.916 121.223 -0.703 0.000 2.068 62 L HA -0.179 4.161 4.340 -0.000 0.000 0.204 62 L C 2.487 179.043 176.870 -0.525 0.000 1.076 62 L CA 0.906 55.256 54.840 -0.817 0.000 0.753 62 L CB -0.520 40.926 42.059 -1.020 0.000 0.910 62 L HN 0.268 nan 8.230 nan 0.000 0.439 63 L N -0.183 120.757 121.223 -0.471 0.000 2.131 63 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 63 L C 2.209 178.991 176.870 -0.147 0.000 1.092 63 L CA 1.662 56.322 54.840 -0.300 0.000 0.759 63 L CB -0.840 40.969 42.059 -0.417 0.000 0.903 63 L HN 0.457 nan 8.230 nan 0.000 0.435 64 T N -2.927 111.534 114.554 -0.155 0.000 3.206 64 T HA 0.460 4.809 4.350 -0.000 0.000 0.253 64 T C 0.708 175.382 174.700 -0.042 0.000 1.042 64 T CA -0.062 61.996 62.100 -0.070 0.000 0.931 64 T CB -0.064 68.765 68.868 -0.065 0.000 1.029 64 T HN 0.175 nan 8.240 nan 0.000 0.564 65 A N 2.495 125.307 122.820 -0.014 0.000 2.492 65 A HA 0.408 4.728 4.320 -0.000 0.000 0.236 65 A C 0.560 178.170 177.584 0.042 0.000 1.078 65 A CA -0.298 51.773 52.037 0.055 0.000 0.773 65 A CB -0.287 18.847 19.000 0.224 0.000 1.023 65 A HN 0.782 nan 8.150 nan 0.000 0.504 66 D N 0.126 120.546 120.400 0.033 0.000 2.346 66 D HA 0.022 4.661 4.640 -0.000 0.000 0.236 66 D C 0.134 176.446 176.300 0.019 0.000 1.259 66 D CA 0.009 54.022 54.000 0.021 0.000 0.898 66 D CB 0.353 41.163 40.800 0.016 0.000 1.178 66 D HN 0.432 nan 8.370 nan 0.000 0.457 67 D N -0.536 119.872 120.400 0.014 0.000 2.389 67 D HA -0.121 4.519 4.640 -0.000 0.000 0.221 67 D C 1.646 177.949 176.300 0.005 0.000 0.974 67 D CA 0.521 54.528 54.000 0.012 0.000 0.923 67 D CB -0.054 40.752 40.800 0.010 0.000 0.892 67 D HN 0.412 nan 8.370 nan 0.000 0.518 68 R N 0.207 120.706 120.500 -0.001 0.000 2.148 68 R HA -0.086 4.254 4.340 -0.000 0.000 0.227 68 R C 2.305 178.592 176.300 -0.022 0.000 1.103 68 R CA 0.762 56.855 56.100 -0.012 0.000 0.983 68 R CB -0.001 30.286 30.300 -0.021 0.000 0.874 68 R HN 0.208 nan 8.270 nan 0.000 0.451 69 V N -1.598 118.302 119.914 -0.023 0.000 3.129 69 V HA -0.031 4.088 4.120 -0.000 0.000 0.259 69 V C 1.220 177.319 176.094 0.009 0.000 1.116 69 V CA 1.086 63.367 62.300 -0.032 0.000 1.127 69 V CB -0.350 31.455 31.823 -0.029 0.000 0.742 69 V HN 0.086 nan 8.190 nan 0.000 0.474 70 N N 2.476 121.185 118.700 0.014 0.000 2.037 70 N HA -0.099 4.641 4.740 -0.000 0.000 0.196 70 N C -0.321 175.199 175.510 0.017 0.000 1.034 70 N CA 2.514 55.575 53.050 0.019 0.000 0.861 70 N CB -1.697 36.799 38.487 0.015 0.000 1.039 70 N HN 0.521 nan 8.380 nan 0.000 0.427 71 P HA 0.144 nan 4.420 nan 0.000 0.241 71 P C 0.480 177.796 177.300 0.027 0.000 1.191 71 P CA 0.689 63.798 63.100 0.015 0.000 0.771 71 P CB 0.058 31.766 31.700 0.013 0.000 0.929 72 C N -0.536 118.787 119.300 0.037 0.000 2.527 72 C HA 0.214 4.673 4.460 -0.000 0.000 0.280 72 C C 1.226 176.283 174.990 0.111 0.000 1.353 72 C CA -0.076 58.993 59.018 0.086 0.000 1.749 72 C CB -0.453 27.324 27.740 0.062 0.000 2.088 72 C HN 0.086 nan 8.230 nan 0.000 0.508 73 I N 2.150 122.759 120.570 0.066 0.000 2.307 73 I HA 0.283 4.453 4.170 -0.000 0.000 0.289 73 I C 1.282 177.390 176.117 -0.014 0.000 1.021 73 I CA 0.208 61.536 61.300 0.046 0.000 1.224 73 I CB 0.305 38.361 38.000 0.094 0.000 1.376 73 I HN 0.274 nan 8.210 nan 0.000 0.470 74 G N 4.632 113.379 108.800 -0.089 0.000 2.662 74 G HA2 0.358 4.318 3.960 -0.000 0.000 0.212 74 G HA3 0.358 4.318 3.960 -0.000 0.000 0.212 74 G C 0.590 175.433 174.900 -0.095 0.000 1.141 74 G CA 0.265 45.303 45.100 -0.104 0.000 0.797 74 G HN 0.727 nan 8.290 nan 0.000 0.531 75 G N -1.289 107.461 108.800 -0.083 0.000 2.704 75 G HA2 0.488 4.448 3.960 -0.000 0.000 0.293 75 G HA3 0.488 4.448 3.960 -0.000 0.000 0.293 75 G C -2.109 172.882 174.900 0.151 0.000 1.421 75 G CA -0.383 44.741 45.100 0.040 0.000 0.870 75 G HN 0.338 nan 8.290 nan 0.000 0.492 76 V N 1.756 121.827 119.914 0.262 0.000 2.569 76 V HA 0.397 4.516 4.120 -0.000 0.000 0.301 76 V C -0.208 175.935 176.094 0.081 0.000 1.044 76 V CA -0.549 61.833 62.300 0.136 0.000 0.874 76 V CB 1.503 33.340 31.823 0.024 0.000 1.002 76 V HN 0.679 nan 8.190 nan 0.000 0.424 77 I N 5.920 126.529 120.570 0.065 0.000 2.371 77 I HA 0.415 4.585 4.170 -0.000 0.000 0.290 77 I C -0.333 175.728 176.117 -0.094 0.000 1.028 77 I CA -0.098 61.155 61.300 -0.078 0.000 1.345 77 I CB 0.897 38.911 38.000 0.024 0.000 1.407 77 I HN 0.352 nan 8.210 nan 0.000 0.501 78 L N 5.540 126.664 121.223 -0.164 0.000 2.319 78 L HA 0.519 4.859 4.340 -0.000 0.000 0.267 78 L C -0.394 176.451 176.870 -0.043 0.000 1.011 78 L CA -0.794 53.983 54.840 -0.104 0.000 0.818 78 L CB 1.917 43.882 42.059 -0.156 0.000 1.316 78 L HN 0.393 nan 8.230 nan 0.000 0.432 79 F N -0.223 119.670 119.950 -0.097 0.000 2.370 79 F HA 0.210 4.737 4.527 -0.000 0.000 0.324 79 F C 1.479 177.274 175.800 -0.009 0.000 1.116 79 F CA 0.004 57.983 58.000 -0.036 0.000 1.123 79 F CB 0.801 39.810 39.000 0.015 0.000 1.238 79 F HN 0.536 nan 8.300 nan 0.000 0.536 80 H N 1.490 120.014 119.070 -0.909 0.000 2.289 80 H HA -0.218 4.337 4.556 -0.000 0.000 0.294 80 H C 2.156 177.409 175.328 -0.126 0.000 1.095 80 H CA 2.600 58.361 56.048 -0.479 0.000 1.256 80 H CB -0.113 29.358 29.762 -0.485 0.000 1.359 80 H HN 0.824 nan 8.280 nan 0.000 0.487 81 E N -0.869 119.384 120.200 0.088 0.000 2.070 81 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 81 E C 1.970 178.717 176.600 0.244 0.000 1.004 81 E CA 2.081 58.672 56.400 0.318 0.000 0.805 81 E CB -0.109 29.870 29.700 0.464 0.000 0.744 81 E HN 0.605 nan 8.360 nan 0.000 0.451 82 T N 1.504 116.192 114.554 0.224 0.000 2.833 82 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 82 T C 1.763 176.532 174.700 0.114 0.000 1.054 82 T CA 1.014 63.235 62.100 0.202 0.000 1.135 82 T CB -0.260 68.677 68.868 0.115 0.000 0.869 82 T HN 0.139 nan 8.240 nan 0.000 0.466 83 L N 0.256 121.400 121.223 -0.133 0.000 2.261 83 L HA -0.046 4.293 4.340 -0.000 0.000 0.216 83 L C 1.075 177.627 176.870 -0.529 0.000 1.114 83 L CA 1.622 56.223 54.840 -0.398 0.000 0.777 83 L CB -0.497 41.136 42.059 -0.711 0.000 0.910 83 L HN 0.295 nan 8.230 nan 0.000 0.440 84 Y N -1.307 118.978 120.300 -0.026 0.000 2.507 84 Y HA 0.333 4.883 4.550 -0.000 0.000 0.254 84 Y C 0.909 176.793 175.900 -0.028 0.000 1.171 84 Y CA -0.672 57.409 58.100 -0.031 0.000 1.238 84 Y CB -0.149 38.285 38.460 -0.043 0.000 1.148 84 Y HN 0.231 nan 8.280 nan 0.000 0.525 85 Q N 0.609 120.455 119.800 0.077 0.000 2.199 85 Q HA 0.469 4.809 4.340 -0.000 0.000 0.232 85 Q C -0.520 175.162 176.000 -0.530 0.000 0.969 85 Q CA -0.678 55.077 55.803 -0.080 0.000 0.925 85 Q CB 1.579 30.388 28.738 0.119 0.000 1.198 85 Q HN 0.137 nan 8.270 nan 0.000 0.494 86 K N -0.192 119.808 120.400 -0.667 0.000 2.395 86 K HA 0.653 4.973 4.320 -0.000 0.000 0.247 86 K C -1.014 175.072 176.600 -0.858 0.000 0.973 86 K CA -0.731 55.093 56.287 -0.771 0.000 0.828 86 K CB 1.902 34.209 32.500 -0.323 0.000 1.272 86 K HN 0.639 nan 8.250 nan 0.000 0.439 87 A N 0.706 123.157 122.820 -0.616 0.000 2.280 87 A HA 0.081 4.401 4.320 -0.000 0.000 0.268 87 A C 0.468 177.993 177.584 -0.099 0.000 1.111 87 A CA -0.082 51.836 52.037 -0.198 0.000 0.814 87 A CB 0.023 19.021 19.000 -0.003 0.000 1.093 87 A HN 0.846 nan 8.150 nan 0.000 0.498 88 D N 0.147 120.544 120.400 -0.005 0.000 2.149 88 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 88 D C 1.035 177.334 176.300 -0.002 0.000 0.990 88 D CA 2.035 56.045 54.000 0.017 0.000 0.839 88 D CB -0.370 40.463 40.800 0.055 0.000 0.948 88 D HN 0.768 nan 8.370 nan 0.000 0.460 89 D N -1.079 119.316 120.400 -0.008 0.000 2.363 89 D HA 0.128 4.768 4.640 -0.000 0.000 0.226 89 D C 1.483 177.768 176.300 -0.026 0.000 1.020 89 D CA 0.825 54.820 54.000 -0.009 0.000 0.892 89 D CB -0.114 40.684 40.800 -0.002 0.000 0.900 89 D HN 0.225 nan 8.370 nan 0.000 0.531 90 G N -0.034 108.735 108.800 -0.052 0.000 2.175 90 G HA2 -0.319 3.640 3.960 -0.000 0.000 0.244 90 G HA3 -0.319 3.640 3.960 -0.000 0.000 0.244 90 G C 0.207 175.058 174.900 -0.082 0.000 0.982 90 G CA -0.248 44.813 45.100 -0.065 0.000 0.641 90 G HN 0.414 nan 8.290 nan 0.000 0.527 91 R N 1.130 121.581 120.500 -0.083 0.000 2.347 91 R HA 0.380 4.719 4.340 -0.000 0.000 0.304 91 R C -2.443 173.775 176.300 -0.136 0.000 1.072 91 R CA -1.542 54.514 56.100 -0.072 0.000 0.980 91 R CB 0.542 30.824 30.300 -0.030 0.000 0.986 91 R HN 0.123 nan 8.270 nan 0.000 0.448 92 P HA -0.062 nan 4.420 nan 0.000 0.268 92 P C 0.157 177.420 177.300 -0.061 0.000 1.205 92 P CA 0.110 63.132 63.100 -0.131 0.000 0.771 92 P CB 0.351 32.018 31.700 -0.056 0.000 0.858 93 F N 3.974 123.890 119.950 -0.057 0.000 2.154 93 F HA -0.110 4.417 4.527 -0.001 0.000 0.301 93 F C -0.521 175.232 175.800 -0.079 0.000 1.087 93 F CA 1.619 59.574 58.000 -0.074 0.000 1.274 93 F CB -2.577 36.369 39.000 -0.090 0.000 1.009 93 F HN 0.441 nan 8.300 nan 0.000 0.485 94 P HA -0.198 nan 4.420 nan 0.000 0.218 94 P C 1.693 179.008 177.300 0.025 0.000 1.149 94 P CA 1.531 64.641 63.100 0.015 0.000 0.817 94 P CB -0.139 31.535 31.700 -0.043 0.000 0.785 95 Q N -0.290 119.527 119.800 0.027 0.000 2.123 95 Q HA -0.107 4.233 4.340 -0.000 0.000 0.199 95 Q C 1.857 177.878 176.000 0.035 0.000 0.966 95 Q CA 1.329 57.145 55.803 0.023 0.000 0.845 95 Q CB -0.372 28.372 28.738 0.010 0.000 0.907 95 Q HN 0.020 nan 8.270 nan 0.000 0.439 96 V N 1.085 121.036 119.914 0.062 0.000 2.261 96 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 96 V C 2.300 178.421 176.094 0.045 0.000 1.047 96 V CA 1.810 64.151 62.300 0.067 0.000 1.015 96 V CB -0.531 31.372 31.823 0.132 0.000 0.642 96 V HN 0.394 nan 8.190 nan 0.000 0.446 97 I N -0.325 120.270 120.570 0.041 0.000 2.163 97 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 97 I C 2.565 178.699 176.117 0.028 0.000 1.085 97 I CA 1.828 63.142 61.300 0.022 0.000 1.347 97 I CB -0.432 37.574 38.000 0.011 0.000 1.044 97 I HN 0.283 nan 8.210 nan 0.000 0.408 98 K N 0.546 120.963 120.400 0.028 0.000 2.097 98 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 98 K C 2.215 178.829 176.600 0.023 0.000 1.050 98 K CA 1.718 58.021 56.287 0.027 0.000 0.938 98 K CB -0.236 32.279 32.500 0.024 0.000 0.718 98 K HN 0.403 nan 8.250 nan 0.000 0.442 99 S N 1.272 116.986 115.700 0.023 0.000 2.447 99 S HA -0.094 4.375 4.470 -0.000 0.000 0.233 99 S C 1.482 176.093 174.600 0.019 0.000 1.006 99 S CA 0.932 59.144 58.200 0.020 0.000 0.957 99 S CB -0.084 63.127 63.200 0.020 0.000 0.773 99 S HN 0.204 nan 8.310 nan 0.000 0.507 100 K N 0.712 121.125 120.400 0.022 0.000 2.437 100 K HA 0.325 4.645 4.320 -0.000 0.000 0.198 100 K C 1.078 177.691 176.600 0.021 0.000 1.024 100 K CA 0.316 56.616 56.287 0.022 0.000 1.148 100 K CB 0.064 32.579 32.500 0.025 0.000 0.860 100 K HN 0.518 nan 8.250 nan 0.000 0.515 101 G N 0.913 109.725 108.800 0.020 0.000 2.157 101 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 101 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 101 G C 0.315 175.226 174.900 0.018 0.000 0.979 101 G CA -0.149 44.961 45.100 0.017 0.000 0.650 101 G HN 0.487 nan 8.290 nan 0.000 0.529 102 G N -1.164 107.652 108.800 0.026 0.000 2.437 102 G HA2 0.685 4.645 3.960 -0.000 0.000 0.319 102 G HA3 0.685 4.645 3.960 -0.000 0.000 0.319 102 G C -0.196 174.737 174.900 0.056 0.000 1.158 102 G CA -0.057 45.064 45.100 0.035 0.000 0.899 102 G HN 0.877 nan 8.290 nan 0.000 0.502 103 V N 0.476 120.443 119.914 0.089 0.000 2.532 103 V HA 0.326 4.446 4.120 -0.000 0.000 0.295 103 V C 0.187 176.449 176.094 0.279 0.000 1.041 103 V CA -0.649 61.748 62.300 0.161 0.000 0.926 103 V CB 1.658 33.570 31.823 0.148 0.000 0.992 103 V HN 0.483 nan 8.190 nan 0.000 0.457 104 V N 3.693 123.706 119.914 0.166 0.000 2.465 104 V HA 0.678 4.797 4.120 -0.000 0.000 0.279 104 V C 0.790 176.680 176.094 -0.340 0.000 1.045 104 V CA 0.038 62.333 62.300 -0.009 0.000 0.938 104 V CB 1.170 32.947 31.823 -0.075 0.000 0.986 104 V HN 1.009 nan 8.190 nan 0.000 0.467 105 G N 3.508 111.835 108.800 -0.789 0.000 2.511 105 G HA2 0.751 4.711 3.960 -0.000 0.000 0.318 105 G HA3 0.751 4.711 3.960 -0.000 0.000 0.318 105 G C -1.549 172.887 174.900 -0.774 0.000 1.210 105 G CA -0.550 43.557 45.100 -1.654 0.000 0.969 105 G HN 0.598 nan 8.290 nan 0.000 0.484 106 I N -0.374 119.805 120.570 -0.651 0.000 2.607 106 I HA 0.418 4.588 4.170 -0.000 0.000 0.290 106 I C -0.328 175.602 176.117 -0.311 0.000 1.129 106 I CA -1.167 59.837 61.300 -0.494 0.000 1.042 106 I CB 2.120 39.678 38.000 -0.737 0.000 1.242 106 I HN 0.410 nan 8.210 nan 0.000 0.421 107 K N 6.293 126.567 120.400 -0.210 0.000 2.339 107 K HA 0.368 4.688 4.320 -0.000 0.000 0.286 107 K C 0.259 176.817 176.600 -0.071 0.000 1.050 107 K CA 0.143 56.384 56.287 -0.076 0.000 0.956 107 K CB 0.892 33.402 32.500 0.017 0.000 0.990 107 K HN 0.636 nan 8.250 nan 0.000 0.475 108 V N 0.058 119.988 119.914 0.027 0.000 3.502 108 V HA 0.097 4.216 4.120 -0.000 0.000 0.288 108 V C 0.114 176.235 176.094 0.045 0.000 1.461 108 V CA -0.005 62.373 62.300 0.130 0.000 1.029 108 V CB -0.411 31.604 31.823 0.320 0.000 0.843 108 V HN 0.819 nan 8.190 nan 0.000 0.438 109 D N 0.746 121.015 120.400 -0.217 0.000 2.358 109 D HA 0.232 4.872 4.640 -0.000 0.000 0.244 109 D C 0.245 176.299 176.300 -0.411 0.000 1.163 109 D CA -0.336 53.223 54.000 -0.736 0.000 0.945 109 D CB 0.780 40.732 40.800 -1.414 0.000 1.152 109 D HN 0.213 nan 8.370 nan 0.000 0.451 110 K N 0.541 120.681 120.400 -0.433 0.000 2.832 110 K HA 0.421 4.741 4.320 -0.000 0.000 0.211 110 K C 0.142 176.622 176.600 -0.200 0.000 1.112 110 K CA -0.280 55.880 56.287 -0.211 0.000 1.108 110 K CB 0.467 32.894 32.500 -0.121 0.000 0.899 110 K HN 0.741 nan 8.250 nan 0.000 0.464 111 G N 0.759 109.399 108.800 -0.267 0.000 2.795 111 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.664 111 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.664 111 G C -0.231 174.557 174.900 -0.187 0.000 1.381 111 G CA -0.519 44.465 45.100 -0.194 0.000 0.853 111 G HN 0.206 nan 8.290 nan 0.000 0.545 112 V N -1.676 118.164 119.914 -0.124 0.000 2.904 112 V HA 0.875 4.994 4.120 -0.000 0.000 0.305 112 V C 1.002 177.065 176.094 -0.051 0.000 1.067 112 V CA 0.138 62.388 62.300 -0.083 0.000 1.044 112 V CB 1.188 32.978 31.823 -0.055 0.000 1.050 112 V HN 2.260 nan 8.190 nan 0.000 0.475 113 V N -0.545 119.352 119.914 -0.028 0.000 2.925 113 V HA 0.740 4.860 4.120 -0.000 0.000 0.311 113 V C -2.760 173.333 176.094 -0.000 0.000 1.104 113 V CA -2.224 60.069 62.300 -0.012 0.000 0.954 113 V CB 1.842 33.662 31.823 -0.005 0.000 1.022 113 V HN 0.893 nan 8.190 nan 0.000 0.427 114 P HA 0.313 nan 4.420 nan 0.000 0.276 114 P C -0.761 176.547 177.300 0.013 0.000 1.230 114 P CA -0.106 62.999 63.100 0.008 0.000 0.776 114 P CB 1.187 32.892 31.700 0.007 0.000 0.888 115 L N 2.754 123.987 121.223 0.017 0.000 2.261 115 L HA 0.364 4.703 4.340 -0.000 0.000 0.289 115 L C 1.046 177.927 176.870 0.018 0.000 1.059 115 L CA -0.794 54.057 54.840 0.019 0.000 0.816 115 L CB 0.841 42.913 42.059 0.022 0.000 1.191 115 L HN 0.437 nan 8.230 nan 0.000 0.431 116 A N 2.710 125.541 122.820 0.017 0.000 2.531 116 A HA 0.426 4.745 4.320 -0.000 0.000 0.236 116 A C 1.284 178.877 177.584 0.016 0.000 1.062 116 A CA 0.679 52.725 52.037 0.015 0.000 0.760 116 A CB 0.067 19.075 19.000 0.014 0.000 0.995 116 A HN 1.129 nan 8.150 nan 0.000 0.501 117 G N 0.969 109.779 108.800 0.016 0.000 2.159 117 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.256 117 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.256 117 G C 0.469 175.380 174.900 0.019 0.000 0.977 117 G CA 1.303 46.412 45.100 0.015 0.000 0.652 117 G HN 2.241 nan 8.290 nan 0.000 0.531 118 T N -2.678 111.890 114.554 0.023 0.000 2.927 118 T HA 0.609 4.958 4.350 -0.000 0.000 0.286 118 T C -0.042 174.680 174.700 0.037 0.000 1.040 118 T CA -0.195 61.923 62.100 0.031 0.000 1.010 118 T CB 1.921 70.807 68.868 0.029 0.000 1.177 118 T HN 0.273 nan 8.240 nan 0.000 0.546 119 N N 0.179 118.910 118.700 0.050 0.000 3.034 119 N HA 0.384 5.124 4.740 -0.000 0.000 0.265 119 N C 1.223 176.755 175.510 0.037 0.000 1.166 119 N CA 0.722 53.804 53.050 0.053 0.000 1.081 119 N CB -0.927 37.609 38.487 0.082 0.000 1.378 119 N HN 1.202 nan 8.380 nan 0.000 0.520 120 G N 1.082 109.899 108.800 0.029 0.000 2.179 120 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.257 120 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.257 120 G C -0.112 174.801 174.900 0.020 0.000 1.010 120 G CA 0.222 45.335 45.100 0.022 0.000 0.736 120 G HN 0.585 nan 8.290 nan 0.000 0.513 121 E N 0.032 120.245 120.200 0.023 0.000 2.314 121 E HA 0.626 4.976 4.350 -0.000 0.000 0.262 121 E C 0.737 177.347 176.600 0.018 0.000 1.093 121 E CA 0.203 56.616 56.400 0.021 0.000 0.908 121 E CB 1.056 30.771 29.700 0.025 0.000 1.091 121 E HN 0.458 nan 8.360 nan 0.000 0.425 122 T N -1.939 112.625 114.554 0.016 0.000 2.838 122 T HA 0.559 4.909 4.350 -0.000 0.000 0.292 122 T C -0.250 174.463 174.700 0.022 0.000 1.113 122 T CA -0.771 61.337 62.100 0.014 0.000 1.008 122 T CB 1.986 70.856 68.868 0.004 0.000 1.259 122 T HN 0.387 nan 8.240 nan 0.000 0.520 123 T N -0.664 113.905 114.554 0.026 0.000 2.742 123 T HA 0.712 5.061 4.350 -0.000 0.000 0.282 123 T C -1.123 173.600 174.700 0.038 0.000 1.025 123 T CA -0.440 61.690 62.100 0.049 0.000 1.020 123 T CB 1.683 70.588 68.868 0.062 0.000 1.317 123 T HN 0.865 nan 8.240 nan 0.000 0.538 124 T N 2.003 116.610 114.554 0.089 0.000 2.863 124 T HA 0.563 4.913 4.350 -0.000 0.000 0.285 124 T C -0.676 174.063 174.700 0.064 0.000 1.009 124 T CA -0.717 61.379 62.100 -0.007 0.000 0.989 124 T CB 1.541 70.344 68.868 -0.108 0.000 1.004 124 T HN 0.718 nan 8.240 nan 0.000 0.455 125 Q N 0.777 120.516 119.800 -0.103 0.000 2.240 125 Q HA 0.765 5.105 4.340 -0.000 0.000 0.260 125 Q C 0.473 176.370 176.000 -0.172 0.000 1.018 125 Q CA -0.987 54.810 55.803 -0.011 0.000 0.898 125 Q CB 1.467 30.197 28.738 -0.013 0.000 1.301 125 Q HN 0.858 nan 8.270 nan 0.000 0.469 126 G N -0.229 108.620 108.800 0.082 0.000 2.321 126 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.174 126 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.174 126 G C 0.364 175.501 174.900 0.395 0.000 1.008 126 G CA 0.021 45.184 45.100 0.106 0.000 0.739 126 G HN 0.492 nan 8.290 nan 0.000 0.502 127 L N 0.662 122.128 121.223 0.405 0.000 2.240 127 L HA 0.180 4.520 4.340 -0.000 0.000 0.211 127 L C 0.534 177.506 176.870 0.171 0.000 1.106 127 L CA 0.318 55.328 54.840 0.282 0.000 0.793 127 L CB -0.282 41.891 42.059 0.190 0.000 0.927 127 L HN 0.061 nan 8.230 nan 0.000 0.446 128 D N 1.283 121.764 120.400 0.135 0.000 2.434 128 D HA 0.183 4.822 4.640 -0.000 0.000 0.252 128 D C 1.259 177.605 176.300 0.078 0.000 1.185 128 D CA 1.150 55.202 54.000 0.087 0.000 0.886 128 D CB 0.791 41.629 40.800 0.064 0.000 1.148 128 D HN 0.293 nan 8.370 nan 0.000 0.483 129 G N 2.085 110.921 108.800 0.060 0.000 2.180 129 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.263 129 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.263 129 G C 1.016 175.953 174.900 0.061 0.000 0.989 129 G CA 0.577 45.704 45.100 0.045 0.000 0.692 129 G HN 0.515 nan 8.290 nan 0.000 0.526 130 L N 1.041 122.324 121.223 0.101 0.000 2.083 130 L HA 0.109 4.449 4.340 -0.000 0.000 0.209 130 L C 2.699 179.631 176.870 0.103 0.000 1.083 130 L CA 3.034 57.959 54.840 0.142 0.000 0.752 130 L CB -0.764 41.419 42.059 0.206 0.000 0.899 130 L HN 0.372 nan 8.230 nan 0.000 0.433 131 S N -0.804 114.937 115.700 0.068 0.000 2.356 131 S HA -0.202 4.268 4.470 -0.000 0.000 0.223 131 S C 1.845 176.461 174.600 0.026 0.000 1.032 131 S CA 1.516 59.743 58.200 0.046 0.000 1.005 131 S CB -0.202 63.017 63.200 0.032 0.000 0.867 131 S HN 0.596 nan 8.310 nan 0.000 0.449 132 E N 0.987 121.194 120.200 0.011 0.000 2.110 132 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 132 E C 2.337 178.900 176.600 -0.061 0.000 0.988 132 E CA 0.988 57.377 56.400 -0.019 0.000 0.804 132 E CB -0.188 29.499 29.700 -0.022 0.000 0.745 132 E HN 0.480 nan 8.360 nan 0.000 0.458 133 R N -0.332 120.128 120.500 -0.067 0.000 2.075 133 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 133 R C 2.367 178.543 176.300 -0.206 0.000 1.126 133 R CA 1.342 57.314 56.100 -0.213 0.000 0.963 133 R CB -0.643 29.605 30.300 -0.087 0.000 0.858 133 R HN 0.241 nan 8.270 nan 0.000 0.435 134 C N 0.200 119.528 119.300 0.047 0.000 2.429 134 C HA -0.059 4.401 4.460 -0.000 0.000 0.277 134 C C 2.952 177.993 174.990 0.085 0.000 1.262 134 C CA 0.823 59.932 59.018 0.152 0.000 1.733 134 C CB -0.906 26.915 27.740 0.135 0.000 2.010 134 C HN 0.604 nan 8.230 nan 0.000 0.483 135 A N -0.226 122.610 122.820 0.026 0.000 1.933 135 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 135 A C 2.054 179.643 177.584 0.008 0.000 1.175 135 A CA 2.141 54.189 52.037 0.019 0.000 0.628 135 A CB -0.619 18.384 19.000 0.004 0.000 0.814 135 A HN 0.604 nan 8.150 nan 0.000 0.444 136 Q N -1.284 118.484 119.800 -0.052 0.000 2.079 136 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 136 Q C 1.694 177.705 176.000 0.018 0.000 0.974 136 Q CA 1.853 57.618 55.803 -0.064 0.000 0.840 136 Q CB -0.534 28.100 28.738 -0.172 0.000 0.898 136 Q HN 0.676 nan 8.270 nan 0.000 0.430 137 Y N 0.268 120.604 120.300 0.059 0.000 2.224 137 Y HA -0.105 4.445 4.550 0.000 0.000 0.289 137 Y C 2.170 178.063 175.900 -0.011 0.000 1.146 137 Y CA 1.422 59.530 58.100 0.013 0.000 1.182 137 Y CB -0.513 37.944 38.460 -0.005 0.000 0.983 137 Y HN 0.124 nan 8.280 nan 0.000 0.524 138 K N 1.116 121.613 120.400 0.162 0.000 2.026 138 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 138 K C 2.132 178.772 176.600 0.068 0.000 1.048 138 K CA 1.747 58.090 56.287 0.093 0.000 0.929 138 K CB -0.268 32.277 32.500 0.075 0.000 0.713 138 K HN 0.173 nan 8.250 nan 0.000 0.439 139 K N -0.012 120.427 120.400 0.065 0.000 2.147 139 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 139 K C 0.317 176.954 176.600 0.061 0.000 1.049 139 K CA 1.788 58.107 56.287 0.053 0.000 0.936 139 K CB -0.026 32.501 32.500 0.044 0.000 0.722 139 K HN 0.162 nan 8.250 nan 0.000 0.446 140 D N -0.812 119.639 120.400 0.084 0.000 2.325 140 D HA 0.102 4.742 4.640 -0.000 0.000 0.234 140 D C 0.759 177.055 176.300 -0.006 0.000 1.122 140 D CA 0.819 54.862 54.000 0.072 0.000 0.850 140 D CB 0.840 41.734 40.800 0.156 0.000 0.921 140 D HN 0.533 nan 8.370 nan 0.000 0.513 141 G N -0.006 108.797 108.800 0.005 0.000 2.201 141 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.212 141 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.212 141 G C 0.509 175.389 174.900 -0.033 0.000 0.994 141 G CA -0.047 45.042 45.100 -0.019 0.000 0.644 141 G HN 0.567 nan 8.290 nan 0.000 0.508 142 A N 0.076 122.871 122.820 -0.041 0.000 2.327 142 A HA 0.680 5.000 4.320 -0.000 0.000 0.283 142 A C 0.637 178.218 177.584 -0.006 0.000 1.127 142 A CA 0.478 52.464 52.037 -0.085 0.000 0.810 142 A CB 0.644 19.545 19.000 -0.164 0.000 1.066 142 A HN 0.094 nan 8.150 nan 0.000 0.492 143 D N -0.235 120.180 120.400 0.025 0.000 2.498 143 D HA 0.208 4.848 4.640 -0.000 0.000 0.223 143 D C -0.473 175.959 176.300 0.221 0.000 1.125 143 D CA 0.792 54.867 54.000 0.125 0.000 0.835 143 D CB 0.487 41.382 40.800 0.159 0.000 1.086 143 D HN 0.523 nan 8.370 nan 0.000 0.510 144 F N 0.179 120.131 119.950 0.004 0.000 2.643 144 F HA 0.810 5.337 4.527 -0.000 0.000 0.314 144 F C -1.386 174.432 175.800 0.030 0.000 1.096 144 F CA -1.578 56.430 58.000 0.012 0.000 0.953 144 F CB 1.206 40.205 39.000 -0.003 0.000 1.345 144 F HN -0.187 nan 8.300 nan 0.000 0.468 145 A N 1.960 124.891 122.820 0.184 0.000 2.430 145 A HA 0.803 5.122 4.320 -0.000 0.000 0.300 145 A C -1.522 176.239 177.584 0.295 0.000 1.124 145 A CA -0.914 51.204 52.037 0.135 0.000 0.766 145 A CB 1.961 21.127 19.000 0.277 0.000 1.328 145 A HN 0.816 nan 8.150 nan 0.000 0.424 146 K N 1.169 121.689 120.400 0.200 0.000 2.397 146 K HA 0.401 4.721 4.320 -0.000 0.000 0.253 146 K C -2.195 174.468 176.600 0.106 0.000 0.932 146 K CA -0.344 56.051 56.287 0.180 0.000 0.795 146 K CB 1.641 34.195 32.500 0.091 0.000 1.159 146 K HN 0.801 nan 8.250 nan 0.000 0.424 147 W N 6.385 127.531 121.300 -0.256 0.000 3.132 147 W HA 0.353 5.012 4.660 -0.002 0.000 0.337 147 W C -1.595 174.749 176.519 -0.292 0.000 1.082 147 W CA -0.585 56.461 57.345 -0.498 0.000 1.242 147 W CB 1.147 29.745 29.460 -1.436 0.000 1.354 147 W HN 0.729 nan 8.180 nan 0.000 0.461 148 R N 5.228 125.626 120.500 -0.170 0.000 2.295 148 R HA 0.631 4.971 4.340 -0.000 0.000 0.324 148 R C -1.183 175.088 176.300 -0.048 0.000 0.968 148 R CA -0.009 56.062 56.100 -0.049 0.000 0.837 148 R CB 0.938 31.198 30.300 -0.066 0.000 1.133 148 R HN 0.434 nan 8.270 nan 0.000 0.450 149 C N 3.939 123.284 119.300 0.075 0.000 2.391 149 C HA 0.637 5.097 4.460 -0.000 0.000 0.339 149 C C -0.539 174.469 174.990 0.031 0.000 1.205 149 C CA -0.517 58.546 59.018 0.074 0.000 1.937 149 C CB 1.529 29.345 27.740 0.125 0.000 2.341 149 C HN 0.571 nan 8.230 nan 0.000 0.516 150 V N 4.517 124.442 119.914 0.018 0.000 2.588 150 V HA 0.583 4.702 4.120 -0.000 0.000 0.304 150 V C -0.436 175.666 176.094 0.013 0.000 1.042 150 V CA -0.332 61.975 62.300 0.013 0.000 0.877 150 V CB 1.460 33.286 31.823 0.004 0.000 0.996 150 V HN 0.692 nan 8.190 nan 0.000 0.425 151 L N 3.653 124.882 121.223 0.011 0.000 2.354 151 L HA 0.716 5.055 4.340 -0.000 0.000 0.264 151 L C -0.490 176.381 176.870 0.000 0.000 1.008 151 L CA -0.754 54.089 54.840 0.005 0.000 0.819 151 L CB 2.510 44.569 42.059 -0.000 0.000 1.339 151 L HN 0.548 nan 8.230 nan 0.000 0.420 152 K N 1.670 122.068 120.400 -0.003 0.000 2.371 152 K HA 0.599 4.918 4.320 -0.000 0.000 0.251 152 K C -1.282 175.296 176.600 -0.036 0.000 0.934 152 K CA -0.581 55.701 56.287 -0.009 0.000 0.798 152 K CB 1.935 34.440 32.500 0.008 0.000 1.204 152 K HN 0.482 nan 8.250 nan 0.000 0.427 153 I N 3.442 123.961 120.570 -0.085 0.000 2.312 153 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 153 I C 0.541 176.613 176.117 -0.074 0.000 1.031 153 I CA -0.112 61.093 61.300 -0.159 0.000 1.293 153 I CB 1.270 38.973 38.000 -0.495 0.000 1.403 153 I HN 0.773 nan 8.210 nan 0.000 0.484 154 G N 4.242 113.015 108.800 -0.045 0.000 2.870 154 G HA2 0.251 4.211 3.960 -0.000 0.000 0.299 154 G HA3 0.251 4.211 3.960 -0.000 0.000 0.299 154 G C 0.414 175.276 174.900 -0.064 0.000 1.324 154 G CA -0.320 44.761 45.100 -0.033 0.000 0.808 154 G HN 0.635 nan 8.290 nan 0.000 0.535 155 E N -0.972 119.138 120.200 -0.149 0.000 2.118 155 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 155 E C 0.512 176.960 176.600 -0.253 0.000 0.992 155 E CA 1.540 57.770 56.400 -0.282 0.000 0.804 155 E CB -0.163 29.226 29.700 -0.518 0.000 0.741 155 E HN 0.407 nan 8.360 nan 0.000 0.458 156 H N 0.325 119.404 119.070 0.015 0.000 2.649 156 H HA 0.271 4.827 4.556 -0.000 0.000 0.258 156 H C -0.190 175.147 175.328 0.014 0.000 1.165 156 H CA 0.542 56.599 56.048 0.015 0.000 1.006 156 H CB 0.716 30.486 29.762 0.014 0.000 1.743 156 H HN 0.236 nan 8.280 nan 0.000 0.609 157 T N -1.919 112.685 114.554 0.083 0.000 2.906 157 T HA 0.511 4.861 4.350 -0.000 0.000 0.295 157 T C -3.205 171.508 174.700 0.021 0.000 1.061 157 T CA -2.435 59.696 62.100 0.051 0.000 1.000 157 T CB 3.116 72.004 68.868 0.033 0.000 1.103 157 T HN -0.245 nan 8.240 nan 0.000 0.486 158 P HA 0.269 nan 4.420 nan 0.000 0.276 158 P C 0.077 177.399 177.300 0.037 0.000 1.235 158 P CA -0.293 62.820 63.100 0.022 0.000 0.772 158 P CB 0.577 32.281 31.700 0.007 0.000 0.871 159 S N 2.212 117.936 115.700 0.040 0.000 2.624 159 S HA 0.419 4.889 4.470 -0.000 0.000 0.263 159 S C 1.499 176.116 174.600 0.028 0.000 1.287 159 S CA -0.013 58.211 58.200 0.040 0.000 0.990 159 S CB 0.603 63.827 63.200 0.039 0.000 0.950 159 S HN 0.422 nan 8.310 nan 0.000 0.561 160 A N 0.651 123.486 122.820 0.025 0.000 1.908 160 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 160 A C 2.048 179.642 177.584 0.016 0.000 1.181 160 A CA 1.665 53.713 52.037 0.019 0.000 0.627 160 A CB -1.090 17.920 19.000 0.017 0.000 0.818 160 A HN 0.947 nan 8.150 nan 0.000 0.445 161 L N -0.239 120.995 121.223 0.017 0.000 2.017 161 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 161 L C 2.647 179.528 176.870 0.018 0.000 1.073 161 L CA 2.308 57.158 54.840 0.017 0.000 0.745 161 L CB -0.890 41.179 42.059 0.018 0.000 0.894 161 L HN 0.331 nan 8.230 nan 0.000 0.432 162 A N -0.219 122.613 122.820 0.020 0.000 1.902 162 A HA -0.184 4.135 4.320 -0.000 0.000 0.217 162 A C 2.285 179.877 177.584 0.014 0.000 1.181 162 A CA 2.171 54.220 52.037 0.019 0.000 0.623 162 A CB -0.902 18.110 19.000 0.021 0.000 0.818 162 A HN 0.532 nan 8.150 nan 0.000 0.443 163 I N -0.987 119.589 120.570 0.009 0.000 2.179 163 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 163 I C 2.770 178.884 176.117 -0.004 0.000 1.088 163 I CA 1.593 62.892 61.300 -0.001 0.000 1.357 163 I CB -0.312 37.685 38.000 -0.005 0.000 1.051 163 I HN 0.392 nan 8.210 nan 0.000 0.409 164 M N 0.843 120.444 119.600 0.002 0.000 2.086 164 M HA -0.229 4.251 4.480 -0.000 0.000 0.261 164 M C 2.224 178.527 176.300 0.005 0.000 1.067 164 M CA 2.087 57.389 55.300 0.003 0.000 1.116 164 M CB -0.664 31.942 32.600 0.010 0.000 1.348 164 M HN 0.158 nan 8.290 nan 0.000 0.407 165 E N 0.772 120.980 120.200 0.013 0.000 2.072 165 E HA -0.153 4.196 4.350 -0.000 0.000 0.191 165 E C 1.629 178.240 176.600 0.018 0.000 0.985 165 E CA 1.802 58.214 56.400 0.020 0.000 0.801 165 E CB -0.527 29.190 29.700 0.029 0.000 0.750 165 E HN 0.543 nan 8.360 nan 0.000 0.452 166 N N 0.104 118.815 118.700 0.019 0.000 2.188 166 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 166 N C 1.630 177.130 175.510 -0.018 0.000 1.018 166 N CA 1.334 54.401 53.050 0.027 0.000 0.858 166 N CB -0.217 38.288 38.487 0.030 0.000 0.989 166 N HN 0.318 nan 8.380 nan 0.000 0.426 167 A N 1.198 123.994 122.820 -0.041 0.000 1.930 167 A HA -0.145 4.174 4.320 -0.000 0.000 0.217 167 A C 2.123 179.632 177.584 -0.125 0.000 1.175 167 A CA 1.502 53.486 52.037 -0.087 0.000 0.627 167 A CB -0.670 18.288 19.000 -0.071 0.000 0.815 167 A HN 0.302 nan 8.150 nan 0.000 0.443 168 N N -0.453 118.195 118.700 -0.085 0.000 2.142 168 N HA -0.119 4.620 4.740 -0.000 0.000 0.186 168 N C 1.554 176.936 175.510 -0.213 0.000 1.023 168 N CA 1.487 54.466 53.050 -0.118 0.000 0.852 168 N CB -0.264 38.222 38.487 -0.000 0.000 0.998 168 N HN 0.137 nan 8.380 nan 0.000 0.424 169 V N 0.395 120.237 119.914 -0.120 0.000 2.427 169 V HA -0.102 4.018 4.120 -0.000 0.000 0.248 169 V C 2.013 177.903 176.094 -0.341 0.000 1.051 169 V CA 1.296 63.513 62.300 -0.138 0.000 1.048 169 V CB -0.359 31.500 31.823 0.061 0.000 0.666 169 V HN 0.357 nan 8.190 nan 0.000 0.456 170 L N -0.071 120.979 121.223 -0.290 0.000 2.083 170 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 170 L C 2.713 179.401 176.870 -0.302 0.000 1.083 170 L CA 1.570 56.214 54.840 -0.326 0.000 0.752 170 L CB -0.727 41.224 42.059 -0.180 0.000 0.899 170 L HN 0.427 nan 8.230 nan 0.000 0.433 171 A N -0.422 122.162 122.820 -0.392 0.000 1.898 171 A HA -0.157 4.162 4.320 -0.000 0.000 0.216 171 A C 2.367 179.640 177.584 -0.518 0.000 1.181 171 A CA 1.089 52.822 52.037 -0.508 0.000 0.620 171 A CB -0.327 18.191 19.000 -0.804 0.000 0.819 171 A HN 0.220 nan 8.150 nan 0.000 0.442 172 R N -1.312 118.879 120.500 -0.515 0.000 2.073 172 R HA -0.154 4.185 4.340 -0.000 0.000 0.234 172 R C 2.108 178.258 176.300 -0.249 0.000 1.134 172 R CA 1.791 57.721 56.100 -0.284 0.000 0.952 172 R CB -1.178 29.012 30.300 -0.184 0.000 0.850 172 R HN 0.786 nan 8.270 nan 0.000 0.433 173 Y N 1.150 121.128 120.300 -0.536 0.000 2.128 173 Y HA -0.188 4.361 4.550 -0.001 0.000 0.284 173 Y C 2.174 177.886 175.900 -0.313 0.000 1.154 173 Y CA 1.451 59.198 58.100 -0.587 0.000 1.149 173 Y CB -0.586 37.115 38.460 -1.264 0.000 0.976 173 Y HN 0.039 nan 8.280 nan 0.000 0.505 174 A N -0.406 121.980 122.820 -0.724 0.000 1.902 174 A HA -0.189 4.130 4.320 -0.000 0.000 0.217 174 A C 2.540 179.920 177.584 -0.340 0.000 1.181 174 A CA 1.959 53.604 52.037 -0.653 0.000 0.623 174 A CB -1.460 17.309 19.000 -0.384 0.000 0.818 174 A HN 0.569 nan 8.150 nan 0.000 0.443 175 S N -0.425 115.143 115.700 -0.220 0.000 2.356 175 S HA -0.111 4.358 4.470 -0.000 0.000 0.223 175 S C 1.905 176.460 174.600 -0.075 0.000 1.032 175 S CA 1.440 59.588 58.200 -0.086 0.000 1.005 175 S CB -0.499 62.695 63.200 -0.010 0.000 0.867 175 S HN 0.488 nan 8.310 nan 0.000 0.449 176 I N 0.828 121.341 120.570 -0.095 0.000 2.252 176 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 176 I C 2.568 178.656 176.117 -0.048 0.000 1.102 176 I CA 0.780 62.054 61.300 -0.043 0.000 1.385 176 I CB -0.534 37.460 38.000 -0.010 0.000 1.064 176 I HN 0.416 nan 8.210 nan 0.000 0.414 177 C N 0.473 119.697 119.300 -0.125 0.000 2.413 177 C HA -0.191 4.269 4.460 -0.000 0.000 0.277 177 C C 2.855 177.815 174.990 -0.049 0.000 1.228 177 C CA 0.953 59.913 59.018 -0.097 0.000 1.731 177 C CB -1.102 26.493 27.740 -0.242 0.000 2.042 177 C HN 0.516 nan 8.230 nan 0.000 0.468 178 Q N -0.208 119.553 119.800 -0.065 0.000 2.226 178 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 178 Q C 2.172 178.173 176.000 0.001 0.000 0.975 178 Q CA 1.025 56.822 55.803 -0.009 0.000 0.866 178 Q CB -0.284 28.462 28.738 0.014 0.000 0.915 178 Q HN 0.678 nan 8.270 nan 0.000 0.440 179 Q N 0.112 119.909 119.800 -0.005 0.000 2.436 179 Q HA -0.016 4.324 4.340 -0.000 0.000 0.209 179 Q C 0.707 176.712 176.000 0.008 0.000 0.965 179 Q CA 0.739 56.544 55.803 0.003 0.000 0.910 179 Q CB 0.175 28.916 28.738 0.006 0.000 0.980 179 Q HN 0.416 nan 8.270 nan 0.000 0.491 180 N N -0.904 117.805 118.700 0.015 0.000 2.235 180 N HA 0.114 4.854 4.740 -0.000 0.000 0.231 180 N C 0.387 175.918 175.510 0.034 0.000 1.177 180 N CA 0.602 53.668 53.050 0.026 0.000 0.874 180 N CB 1.520 40.029 38.487 0.038 0.000 1.097 180 N HN 0.244 nan 8.380 nan 0.000 0.518 181 G N 1.172 109.990 108.800 0.030 0.000 2.153 181 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.252 181 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.252 181 G C -0.076 174.858 174.900 0.058 0.000 0.994 181 G CA -0.126 44.999 45.100 0.041 0.000 0.698 181 G HN 0.245 nan 8.290 nan 0.000 0.521 182 I N 1.078 121.682 120.570 0.056 0.000 2.354 182 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 182 I C 0.820 176.975 176.117 0.064 0.000 0.989 182 I CA -1.039 60.306 61.300 0.074 0.000 1.188 182 I CB 1.570 39.616 38.000 0.077 0.000 1.342 182 I HN -0.141 nan 8.210 nan 0.000 0.457 183 V N 9.512 129.493 119.914 0.112 0.000 2.439 183 V HA 0.164 4.284 4.120 -0.000 0.000 0.271 183 V C -1.884 174.265 176.094 0.092 0.000 1.040 183 V CA -1.063 61.291 62.300 0.088 0.000 1.002 183 V CB 0.857 32.734 31.823 0.091 0.000 1.000 183 V HN 0.574 nan 8.190 nan 0.000 0.477 184 P HA 0.382 nan 4.420 nan 0.000 0.292 184 P C -0.669 176.675 177.300 0.073 0.000 1.287 184 P CA -0.366 62.691 63.100 -0.072 0.000 0.800 184 P CB 1.352 32.733 31.700 -0.532 0.000 0.945 185 I N 3.776 124.501 120.570 0.258 0.000 2.297 185 I HA 0.138 4.308 4.170 -0.000 0.000 0.291 185 I C 0.379 176.640 176.117 0.241 0.000 1.033 185 I CA -0.952 60.457 61.300 0.181 0.000 1.253 185 I CB 1.376 39.491 38.000 0.191 0.000 1.396 185 I HN 0.020 nan 8.210 nan 0.000 0.476 186 V N 6.779 126.765 119.914 0.120 0.000 2.415 186 V HA 0.069 4.189 4.120 -0.000 0.000 0.267 186 V C 0.508 176.623 176.094 0.035 0.000 1.042 186 V CA -0.099 62.254 62.300 0.089 0.000 1.000 186 V CB 0.659 32.446 31.823 -0.061 0.000 1.015 186 V HN 0.715 nan 8.190 nan 0.000 0.478 187 E N 8.195 128.437 120.200 0.070 0.000 2.256 187 E HA 0.339 4.689 4.350 -0.000 0.000 0.243 187 E C -2.574 174.051 176.600 0.041 0.000 0.925 187 E CA -1.880 54.548 56.400 0.047 0.000 0.748 187 E CB 1.674 31.417 29.700 0.071 0.000 1.206 187 E HN 0.472 nan 8.360 nan 0.000 0.428 188 P HA 0.179 nan 4.420 nan 0.000 0.220 188 P C -0.827 176.479 177.300 0.011 0.000 1.828 188 P CA -0.350 62.752 63.100 0.002 0.000 1.159 188 P CB 0.218 31.896 31.700 -0.037 0.000 1.758 189 E N 3.581 123.796 120.200 0.025 0.000 2.257 189 E HA 0.197 4.547 4.350 -0.000 0.000 0.278 189 E C -0.636 175.978 176.600 0.023 0.000 1.049 189 E CA -0.464 55.955 56.400 0.032 0.000 0.876 189 E CB 0.354 30.078 29.700 0.040 0.000 1.035 189 E HN 0.363 nan 8.360 nan 0.000 0.419 190 I N 6.522 127.105 120.570 0.021 0.000 2.307 190 I HA 0.148 4.318 4.170 -0.000 0.000 0.289 190 I C 0.117 176.243 176.117 0.015 0.000 1.021 190 I CA -0.664 60.640 61.300 0.006 0.000 1.224 190 I CB 0.747 38.743 38.000 -0.007 0.000 1.376 190 I HN 0.495 nan 8.210 nan 0.000 0.470 191 L N 8.571 129.804 121.223 0.016 0.000 2.506 191 L HA 0.085 4.425 4.340 -0.000 0.000 0.281 191 L C -1.035 175.852 176.870 0.029 0.000 1.228 191 L CA -0.879 53.979 54.840 0.029 0.000 0.850 191 L CB 0.203 42.286 42.059 0.040 0.000 1.110 191 L HN 0.467 nan 8.230 nan 0.000 0.496 192 P HA 0.024 nan 4.420 nan 0.000 0.249 192 P C -0.357 176.864 177.300 -0.131 0.000 1.229 192 P CA -0.054 62.951 63.100 -0.158 0.000 0.788 192 P CB 0.088 31.476 31.700 -0.520 0.000 1.072 193 D N 0.915 121.344 120.400 0.047 0.000 2.493 193 D HA 0.383 5.023 4.640 -0.000 0.000 0.240 193 D C 1.265 177.668 176.300 0.172 0.000 1.142 193 D CA 1.627 55.701 54.000 0.123 0.000 0.872 193 D CB 0.010 40.881 40.800 0.119 0.000 1.173 193 D HN 0.243 nan 8.370 nan 0.000 0.467 194 G N 1.769 110.628 108.800 0.097 0.000 2.371 194 G HA2 -0.006 3.953 3.960 -0.000 0.000 0.663 194 G HA3 -0.006 3.953 3.960 -0.000 0.000 0.663 194 G C -0.476 174.384 174.900 -0.067 0.000 1.311 194 G CA -0.243 44.915 45.100 0.097 0.000 0.985 194 G HN 0.532 nan 8.290 nan 0.000 0.566 195 D N -0.709 119.678 120.400 -0.022 0.000 2.402 195 D HA 0.032 4.672 4.640 -0.000 0.000 0.216 195 D C 0.872 177.122 176.300 -0.083 0.000 1.128 195 D CA 0.182 54.141 54.000 -0.069 0.000 0.833 195 D CB -0.536 40.260 40.800 -0.006 0.000 0.971 195 D HN 0.827 nan 8.370 nan 0.000 0.503 196 H N 0.845 119.925 119.070 0.017 0.000 2.852 196 H HA 0.187 4.743 4.556 -0.000 0.000 0.362 196 H C -0.062 175.287 175.328 0.034 0.000 1.122 196 H CA -0.012 56.047 56.048 0.018 0.000 1.419 196 H CB 0.496 30.263 29.762 0.008 0.000 1.401 196 H HN 0.030 nan 8.280 nan 0.000 0.609 197 D N 1.486 121.965 120.400 0.132 0.000 2.511 197 D HA 0.009 4.649 4.640 -0.000 0.000 0.276 197 D C 1.416 177.749 176.300 0.056 0.000 1.220 197 D CA -0.852 53.221 54.000 0.122 0.000 1.077 197 D CB 0.706 41.621 40.800 0.191 0.000 1.126 197 D HN 0.428 nan 8.370 nan 0.000 0.583 198 L N -0.133 121.003 121.223 -0.144 0.000 2.017 198 L HA -0.125 4.214 4.340 -0.000 0.000 0.208 198 L C 2.218 179.050 176.870 -0.062 0.000 1.073 198 L CA 2.124 56.776 54.840 -0.314 0.000 0.745 198 L CB -0.953 40.574 42.059 -0.886 0.000 0.894 198 L HN 0.644 nan 8.230 nan 0.000 0.432 199 K N -0.903 119.497 120.400 -0.000 0.000 2.209 199 K HA -0.243 4.076 4.320 -0.000 0.000 0.204 199 K C 2.266 178.923 176.600 0.094 0.000 1.048 199 K CA 1.644 57.964 56.287 0.054 0.000 0.940 199 K CB -0.520 32.000 32.500 0.034 0.000 0.729 199 K HN 0.294 nan 8.250 nan 0.000 0.451 200 R N 0.890 121.445 120.500 0.090 0.000 2.090 200 R HA -0.084 4.255 4.340 -0.000 0.000 0.228 200 R C 2.408 178.773 176.300 0.109 0.000 1.110 200 R CA 1.430 57.590 56.100 0.100 0.000 0.973 200 R CB -0.562 29.794 30.300 0.093 0.000 0.869 200 R HN 0.414 nan 8.270 nan 0.000 0.440 201 C N 0.565 119.930 119.300 0.107 0.000 2.429 201 C HA -0.065 4.394 4.460 -0.000 0.000 0.277 201 C C 2.718 177.748 174.990 0.067 0.000 1.262 201 C CA 1.201 60.256 59.018 0.061 0.000 1.733 201 C CB -0.789 27.012 27.740 0.102 0.000 2.010 201 C HN 0.639 nan 8.230 nan 0.000 0.483 202 Q N -1.416 118.438 119.800 0.090 0.000 2.084 202 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 202 Q C 2.063 178.133 176.000 0.117 0.000 0.978 202 Q CA 2.198 58.062 55.803 0.100 0.000 0.844 202 Q CB -0.468 28.348 28.738 0.130 0.000 0.898 202 Q HN 0.874 nan 8.270 nan 0.000 0.426 203 Y N 0.217 120.533 120.300 0.027 0.000 2.114 203 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 203 Y C 2.042 177.950 175.900 0.012 0.000 1.143 203 Y CA 1.747 59.861 58.100 0.024 0.000 1.135 203 Y CB -0.367 38.104 38.460 0.019 0.000 0.980 203 Y HN -0.067 nan 8.280 nan 0.000 0.499 204 V N -0.496 119.472 119.914 0.091 0.000 2.343 204 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 204 V C 2.253 178.311 176.094 -0.060 0.000 1.051 204 V CA 2.419 64.713 62.300 -0.011 0.000 1.036 204 V CB -1.193 30.635 31.823 0.008 0.000 0.654 204 V HN 0.489 nan 8.190 nan 0.000 0.451 205 T N -0.495 114.044 114.554 -0.025 0.000 2.746 205 T HA -0.216 4.134 4.350 -0.000 0.000 0.267 205 T C 1.823 176.502 174.700 -0.036 0.000 1.039 205 T CA 1.708 63.798 62.100 -0.016 0.000 1.142 205 T CB -0.239 68.639 68.868 0.017 0.000 0.866 205 T HN 0.586 nan 8.240 nan 0.000 0.444 206 E N 0.510 120.673 120.200 -0.062 0.000 2.077 206 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 206 E C 2.394 178.927 176.600 -0.112 0.000 0.989 206 E CA 0.791 57.145 56.400 -0.075 0.000 0.800 206 E CB 0.053 29.698 29.700 -0.092 0.000 0.746 206 E HN 0.218 nan 8.360 nan 0.000 0.452 207 K N 0.386 120.665 120.400 -0.202 0.000 2.097 207 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 207 K C 2.198 178.746 176.600 -0.087 0.000 1.050 207 K CA 0.586 56.766 56.287 -0.178 0.000 0.938 207 K CB -0.524 31.821 32.500 -0.258 0.000 0.718 207 K HN 0.058 nan 8.250 nan 0.000 0.442 208 V N 1.961 121.833 119.914 -0.070 0.000 2.307 208 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 208 V C 2.417 178.490 176.094 -0.034 0.000 1.045 208 V CA 1.401 63.675 62.300 -0.045 0.000 1.024 208 V CB -0.432 31.369 31.823 -0.036 0.000 0.651 208 V HN 0.178 nan 8.190 nan 0.000 0.449 209 L N -0.003 121.213 121.223 -0.010 0.000 2.141 209 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 209 L C 2.691 179.628 176.870 0.111 0.000 1.094 209 L CA 1.348 56.216 54.840 0.047 0.000 0.763 209 L CB -0.792 41.324 42.059 0.094 0.000 0.908 209 L HN 0.368 nan 8.230 nan 0.000 0.437 210 A N 0.194 123.049 122.820 0.059 0.000 1.930 210 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 210 A C 2.539 180.152 177.584 0.049 0.000 1.175 210 A CA 1.636 53.715 52.037 0.069 0.000 0.627 210 A CB -0.543 18.467 19.000 0.017 0.000 0.815 210 A HN 0.385 nan 8.150 nan 0.000 0.443 211 A N -0.634 122.188 122.820 0.002 0.000 1.930 211 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 211 A C 2.214 179.769 177.584 -0.049 0.000 1.175 211 A CA 1.572 53.600 52.037 -0.016 0.000 0.627 211 A CB -0.841 18.143 19.000 -0.026 0.000 0.815 211 A HN 0.334 nan 8.150 nan 0.000 0.443 212 V N -1.352 118.501 119.914 -0.102 0.000 2.255 212 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 212 V C 2.373 178.268 176.094 -0.333 0.000 1.051 212 V CA 2.103 64.255 62.300 -0.248 0.000 1.018 212 V CB -1.000 30.599 31.823 -0.373 0.000 0.641 212 V HN 0.670 nan 8.190 nan 0.000 0.445 213 Y N 0.132 120.411 120.300 -0.035 0.000 2.373 213 Y HA -0.120 4.429 4.550 -0.000 0.000 0.293 213 Y C 2.374 178.268 175.900 -0.011 0.000 1.129 213 Y CA 1.500 59.584 58.100 -0.027 0.000 1.226 213 Y CB -0.342 38.103 38.460 -0.026 0.000 1.000 213 Y HN 0.167 nan 8.280 nan 0.000 0.549 214 K N 0.859 121.312 120.400 0.087 0.000 2.057 214 K HA -0.068 4.252 4.320 -0.000 0.000 0.206 214 K C 2.138 178.760 176.600 0.036 0.000 1.050 214 K CA 1.376 57.699 56.287 0.060 0.000 0.935 214 K CB -0.606 31.918 32.500 0.040 0.000 0.715 214 K HN 0.148 nan 8.250 nan 0.000 0.439 215 A N 0.834 123.658 122.820 0.006 0.000 1.902 215 A HA -0.076 4.243 4.320 -0.000 0.000 0.217 215 A C 2.233 179.843 177.584 0.044 0.000 1.181 215 A CA 1.556 53.610 52.037 0.029 0.000 0.623 215 A CB -0.707 18.265 19.000 -0.048 0.000 0.818 215 A HN 0.314 nan 8.150 nan 0.000 0.443 216 L N -0.575 120.624 121.223 -0.040 0.000 2.083 216 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 216 L C 2.924 179.822 176.870 0.047 0.000 1.083 216 L CA 1.554 56.378 54.840 -0.025 0.000 0.752 216 L CB -0.549 41.477 42.059 -0.055 0.000 0.899 216 L HN 0.538 nan 8.230 nan 0.000 0.433 217 S N -0.086 115.651 115.700 0.061 0.000 2.356 217 S HA -0.202 4.268 4.470 -0.000 0.000 0.223 217 S C 1.615 176.202 174.600 -0.022 0.000 1.032 217 S CA 1.629 59.864 58.200 0.059 0.000 1.005 217 S CB -0.194 63.048 63.200 0.070 0.000 0.867 217 S HN 0.396 nan 8.310 nan 0.000 0.449 218 D N 0.443 120.817 120.400 -0.043 0.000 2.182 218 D HA -0.072 4.568 4.640 -0.000 0.000 0.201 218 D C 1.269 177.283 176.300 -0.477 0.000 0.986 218 D CA 1.059 54.948 54.000 -0.184 0.000 0.847 218 D CB -0.435 40.303 40.800 -0.103 0.000 0.942 218 D HN 0.623 nan 8.370 nan 0.000 0.467 219 H N -0.131 118.744 119.070 -0.326 0.000 2.517 219 H HA 0.043 4.599 4.556 -0.001 0.000 0.282 219 H C -0.010 175.170 175.328 -0.247 0.000 1.023 219 H CA 0.086 55.940 56.048 -0.324 0.000 1.169 219 H CB 0.159 29.828 29.762 -0.155 0.000 1.454 219 H HN 0.267 nan 8.280 nan 0.000 0.556 220 H N -0.618 118.511 119.070 0.099 0.000 2.770 220 H HA -0.153 4.402 4.556 -0.001 0.000 0.309 220 H C 0.245 175.630 175.328 0.095 0.000 1.206 220 H CA 0.334 56.431 56.048 0.083 0.000 1.147 220 H CB -2.122 27.678 29.762 0.063 0.000 1.422 220 H HN 0.292 nan 8.280 nan 0.000 0.420 221 I N 0.671 121.334 120.570 0.156 0.000 2.529 221 I HA -0.040 4.130 4.170 -0.000 0.000 0.284 221 I C 1.159 177.384 176.117 0.181 0.000 1.082 221 I CA -0.438 60.938 61.300 0.127 0.000 1.406 221 I CB -0.019 38.007 38.000 0.042 0.000 1.405 221 I HN 0.135 nan 8.210 nan 0.000 0.548 222 Y N 6.570 126.895 120.300 0.041 0.000 2.600 222 Y HA 0.225 4.775 4.550 -0.000 0.000 0.351 222 Y C 0.873 176.796 175.900 0.039 0.000 1.042 222 Y CA -0.201 57.924 58.100 0.042 0.000 1.333 222 Y CB 0.394 38.872 38.460 0.030 0.000 1.172 222 Y HN 0.503 nan 8.280 nan 0.000 0.517 223 L N 3.097 124.231 121.223 -0.149 0.000 2.079 223 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 223 L C 1.628 178.301 176.870 -0.329 0.000 1.081 223 L CA 1.561 56.306 54.840 -0.158 0.000 0.752 223 L CB -0.198 41.831 42.059 -0.049 0.000 0.896 223 L HN 0.519 nan 8.230 nan 0.000 0.433 224 E N 0.228 120.028 120.200 -0.666 0.000 2.265 224 E HA -0.117 4.233 4.350 -0.000 0.000 0.196 224 E C 1.701 178.040 176.600 -0.435 0.000 0.996 224 E CA 1.007 57.075 56.400 -0.553 0.000 0.832 224 E CB -0.229 29.113 29.700 -0.597 0.000 0.756 224 E HN 0.433 nan 8.360 nan 0.000 0.491 225 G N 0.566 109.050 108.800 -0.525 0.000 3.702 225 G HA2 0.159 4.119 3.960 -0.000 0.000 0.288 225 G HA3 0.159 4.119 3.960 -0.000 0.000 0.288 225 G C -0.090 174.788 174.900 -0.036 0.000 1.193 225 G CA 0.253 45.329 45.100 -0.040 0.000 0.952 225 G HN 0.213 nan 8.290 nan 0.000 0.544 226 T N -2.478 112.014 114.554 -0.104 0.000 2.841 226 T HA 0.760 5.109 4.350 -0.000 0.000 0.296 226 T C -0.861 173.777 174.700 -0.103 0.000 1.166 226 T CA -0.832 61.222 62.100 -0.076 0.000 1.007 226 T CB 2.247 71.082 68.868 -0.056 0.000 1.253 226 T HN -0.045 nan 8.240 nan 0.000 0.511 227 L N 0.572 121.741 121.223 -0.091 0.000 2.327 227 L HA 0.773 5.112 4.340 -0.000 0.000 0.258 227 L C -1.453 175.355 176.870 -0.103 0.000 1.024 227 L CA -1.375 53.385 54.840 -0.133 0.000 0.825 227 L CB 2.249 44.204 42.059 -0.173 0.000 1.386 227 L HN 0.656 nan 8.230 nan 0.000 0.417 228 L N 1.982 123.110 121.223 -0.159 0.000 2.341 228 L HA 0.460 4.799 4.340 -0.000 0.000 0.278 228 L C -0.640 176.105 176.870 -0.208 0.000 1.005 228 L CA -0.153 54.596 54.840 -0.151 0.000 0.818 228 L CB 1.431 43.395 42.059 -0.159 0.000 1.259 228 L HN 0.510 nan 8.230 nan 0.000 0.418 229 K N 7.208 127.530 120.400 -0.131 0.000 2.484 229 K HA 0.542 4.862 4.320 -0.000 0.000 0.226 229 K C -2.768 173.792 176.600 -0.067 0.000 1.031 229 K CA -1.540 54.679 56.287 -0.113 0.000 1.026 229 K CB 0.971 33.456 32.500 -0.025 0.000 1.412 229 K HN 0.414 nan 8.250 nan 0.000 0.492 230 P HA 0.193 nan 4.420 nan 0.000 0.287 230 P C -1.224 176.161 177.300 0.143 0.000 1.292 230 P CA -0.754 62.346 63.100 -0.000 0.000 0.879 230 P CB 1.036 32.711 31.700 -0.041 0.000 1.214 231 N N 0.906 119.692 118.700 0.143 0.000 2.503 231 N HA 0.156 4.896 4.740 -0.000 0.000 0.267 231 N C 0.184 175.832 175.510 0.231 0.000 1.214 231 N CA -0.252 52.900 53.050 0.171 0.000 0.959 231 N CB 0.409 38.952 38.487 0.092 0.000 1.142 231 N HN 0.399 nan 8.380 nan 0.000 0.455 232 M N 0.561 120.264 119.600 0.172 0.000 2.202 232 M HA 0.118 4.598 4.480 -0.000 0.000 0.316 232 M C -0.093 176.224 176.300 0.027 0.000 1.138 232 M CA -0.633 54.684 55.300 0.028 0.000 1.151 232 M CB 0.974 33.484 32.600 -0.151 0.000 1.422 232 M HN 0.229 nan 8.290 nan 0.000 0.471 233 V N 1.875 121.789 119.914 -0.000 0.000 2.408 233 V HA 0.333 4.453 4.120 -0.000 0.000 0.267 233 V C 0.327 176.398 176.094 -0.040 0.000 1.047 233 V CA -0.134 62.168 62.300 0.002 0.000 0.937 233 V CB 0.207 32.039 31.823 0.016 0.000 0.999 233 V HN 1.006 nan 8.190 nan 0.000 0.472 234 T N 4.200 118.730 114.554 -0.040 0.000 2.841 234 T HA 0.653 5.003 4.350 -0.000 0.000 0.296 234 T C -3.066 171.575 174.700 -0.099 0.000 1.166 234 T CA -1.974 60.075 62.100 -0.086 0.000 1.007 234 T CB 2.618 71.454 68.868 -0.055 0.000 1.253 234 T HN 0.373 nan 8.240 nan 0.000 0.511 235 P HA 0.351 nan 4.420 nan 0.000 0.274 235 P C 0.521 177.681 177.300 -0.233 0.000 1.256 235 P CA -0.063 62.949 63.100 -0.147 0.000 0.795 235 P CB 0.163 31.857 31.700 -0.010 0.000 1.038 236 G N -0.164 108.300 108.800 -0.559 0.000 2.594 236 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.243 236 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.243 236 G C 0.977 175.709 174.900 -0.279 0.000 1.229 236 G CA -0.140 44.516 45.100 -0.740 0.000 0.843 236 G HN 0.558 nan 8.290 nan 0.000 0.578 237 H N 1.381 120.378 119.070 -0.122 0.000 2.422 237 H HA -0.112 4.443 4.556 -0.001 0.000 0.298 237 H C 2.490 177.786 175.328 -0.054 0.000 1.098 237 H CA 1.544 57.559 56.048 -0.056 0.000 1.315 237 H CB -0.077 29.671 29.762 -0.024 0.000 1.382 237 H HN 0.486 nan 8.280 nan 0.000 0.523 238 A N 0.080 122.927 122.820 0.045 0.000 2.379 238 A HA 0.108 4.428 4.320 -0.000 0.000 0.236 238 A C 0.878 178.453 177.584 -0.015 0.000 1.272 238 A CA -0.283 51.763 52.037 0.016 0.000 0.886 238 A CB -0.521 18.489 19.000 0.015 0.000 0.962 238 A HN 0.365 nan 8.150 nan 0.000 0.504 239 C N 1.675 120.952 119.300 -0.038 0.000 2.648 239 C HA 0.309 4.768 4.460 -0.000 0.000 0.415 239 C C 2.370 177.365 174.990 0.008 0.000 1.366 239 C CA 0.694 59.700 59.018 -0.019 0.000 1.756 239 C CB -0.516 27.221 27.740 -0.005 0.000 2.549 239 C HN 0.710 nan 8.230 nan 0.000 0.597 240 T N 2.125 116.679 114.554 -0.000 0.000 2.857 240 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 240 T C 0.830 175.507 174.700 -0.039 0.000 1.048 240 T CA 0.881 62.972 62.100 -0.015 0.000 1.139 240 T CB -0.226 68.631 68.868 -0.018 0.000 0.874 240 T HN 0.866 nan 8.240 nan 0.000 0.455 241 Q N 1.525 121.296 119.800 -0.048 0.000 2.352 241 Q HA 0.223 4.563 4.340 -0.000 0.000 0.260 241 Q C -0.840 175.019 176.000 -0.234 0.000 0.976 241 Q CA -0.118 55.584 55.803 -0.169 0.000 0.881 241 Q CB 0.518 29.128 28.738 -0.213 0.000 1.235 241 Q HN 0.403 nan 8.270 nan 0.000 0.419 242 K N 2.747 122.941 120.400 -0.343 0.000 2.123 242 K HA 0.395 4.714 4.320 -0.000 0.000 0.259 242 K C -1.388 174.916 176.600 -0.493 0.000 0.960 242 K CA -0.496 55.637 56.287 -0.257 0.000 0.872 242 K CB 1.207 33.623 32.500 -0.140 0.000 1.079 242 K HN 0.472 nan 8.250 nan 0.000 0.440 243 Y N -0.485 119.787 120.300 -0.047 0.000 2.545 243 Y HA 0.204 4.754 4.550 -0.000 0.000 0.348 243 Y C 0.457 176.295 175.900 -0.104 0.000 1.002 243 Y CA -0.954 57.120 58.100 -0.043 0.000 1.039 243 Y CB 2.032 40.485 38.460 -0.011 0.000 1.271 243 Y HN 0.650 nan 8.280 nan 0.000 0.467 244 S N -0.166 115.578 115.700 0.074 0.000 2.669 244 S HA 0.207 4.677 4.470 -0.000 0.000 0.270 244 S C 0.501 175.059 174.600 -0.070 0.000 1.225 244 S CA -0.557 57.600 58.200 -0.071 0.000 0.991 244 S CB 0.604 63.806 63.200 0.003 0.000 0.987 244 S HN 0.761 nan 8.310 nan 0.000 0.552 245 H N 0.626 119.737 119.070 0.068 0.000 2.423 245 H HA 0.014 4.570 4.556 -0.001 0.000 0.297 245 H C 1.654 177.000 175.328 0.029 0.000 1.075 245 H CA 1.635 57.707 56.048 0.040 0.000 1.342 245 H CB -0.268 29.512 29.762 0.031 0.000 1.395 245 H HN 0.684 nan 8.280 nan 0.000 0.530 246 E N 1.061 121.344 120.200 0.138 0.000 2.077 246 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 246 E C 2.185 178.822 176.600 0.062 0.000 0.989 246 E CA 0.854 57.305 56.400 0.085 0.000 0.800 246 E CB -0.067 29.680 29.700 0.078 0.000 0.746 246 E HN 0.581 nan 8.360 nan 0.000 0.452 247 E N -0.020 120.249 120.200 0.115 0.000 2.106 247 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 247 E C 2.057 178.712 176.600 0.092 0.000 0.984 247 E CA 0.654 57.165 56.400 0.185 0.000 0.806 247 E CB -0.086 29.800 29.700 0.309 0.000 0.750 247 E HN 0.257 nan 8.360 nan 0.000 0.458 248 I N 1.065 121.667 120.570 0.054 0.000 2.226 248 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 248 I C 2.510 178.600 176.117 -0.044 0.000 1.100 248 I CA 0.860 62.157 61.300 -0.006 0.000 1.374 248 I CB -0.263 37.748 38.000 0.018 0.000 1.057 248 I HN 0.092 nan 8.210 nan 0.000 0.413 249 A N 0.350 123.148 122.820 -0.037 0.000 1.898 249 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 249 A C 2.268 179.783 177.584 -0.114 0.000 1.181 249 A CA 1.781 53.777 52.037 -0.069 0.000 0.620 249 A CB -0.555 18.425 19.000 -0.033 0.000 0.819 249 A HN 0.363 nan 8.150 nan 0.000 0.442 250 M N 0.279 119.760 119.600 -0.198 0.000 2.117 250 M HA -0.016 4.464 4.480 -0.000 0.000 0.262 250 M C 2.118 178.144 176.300 -0.457 0.000 1.065 250 M CA 1.775 56.821 55.300 -0.423 0.000 1.114 250 M CB -0.600 31.536 32.600 -0.774 0.000 1.361 250 M HN 0.362 nan 8.290 nan 0.000 0.408 251 A N -1.463 121.174 122.820 -0.306 0.000 1.930 251 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 251 A C 2.176 179.752 177.584 -0.013 0.000 1.175 251 A CA 2.123 54.132 52.037 -0.047 0.000 0.627 251 A CB -1.254 17.812 19.000 0.110 0.000 0.815 251 A HN 0.558 nan 8.150 nan 0.000 0.443 252 T N -0.447 114.086 114.554 -0.034 0.000 2.701 252 T HA -0.092 4.258 4.350 -0.000 0.000 0.263 252 T C 1.888 176.626 174.700 0.062 0.000 1.040 252 T CA 1.603 63.710 62.100 0.011 0.000 1.147 252 T CB -0.394 68.438 68.868 -0.060 0.000 0.865 252 T HN 0.133 nan 8.240 nan 0.000 0.426 253 V N 1.608 121.548 119.914 0.044 0.000 2.427 253 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 253 V C 2.762 178.920 176.094 0.107 0.000 1.051 253 V CA 1.844 64.214 62.300 0.116 0.000 1.048 253 V CB -1.077 30.795 31.823 0.082 0.000 0.666 253 V HN 0.533 nan 8.190 nan 0.000 0.456 254 T N 0.391 114.959 114.554 0.023 0.000 2.737 254 T HA -0.129 4.220 4.350 -0.000 0.000 0.265 254 T C 2.101 176.849 174.700 0.081 0.000 1.038 254 T CA 1.588 63.711 62.100 0.039 0.000 1.144 254 T CB -0.391 68.480 68.868 0.005 0.000 0.866 254 T HN 0.566 nan 8.240 nan 0.000 0.434 255 A N 1.256 124.120 122.820 0.074 0.000 1.908 255 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 255 A C 2.302 179.924 177.584 0.063 0.000 1.181 255 A CA 1.273 53.351 52.037 0.068 0.000 0.627 255 A CB -0.857 18.179 19.000 0.059 0.000 0.818 255 A HN 0.476 nan 8.150 nan 0.000 0.445 256 L N -1.385 119.879 121.223 0.068 0.000 2.056 256 L HA -0.159 4.180 4.340 -0.000 0.000 0.207 256 L C 2.828 179.816 176.870 0.197 0.000 1.078 256 L CA 1.433 56.273 54.840 -0.000 0.000 0.749 256 L CB -0.496 41.461 42.059 -0.170 0.000 0.901 256 L HN 0.332 nan 8.230 nan 0.000 0.433 257 R N -0.029 120.672 120.500 0.335 0.000 2.127 257 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 257 R C 2.205 178.609 176.300 0.173 0.000 1.134 257 R CA 1.165 57.456 56.100 0.319 0.000 0.975 257 R CB -0.162 30.245 30.300 0.177 0.000 0.865 257 R HN 0.337 nan 8.270 nan 0.000 0.447 258 R N -0.717 119.855 120.500 0.119 0.000 2.299 258 R HA 0.004 4.344 4.340 -0.000 0.000 0.197 258 R C 1.355 177.687 176.300 0.054 0.000 0.971 258 R CA 1.406 57.551 56.100 0.075 0.000 1.030 258 R CB 0.439 30.778 30.300 0.064 0.000 0.932 258 R HN 0.340 nan 8.270 nan 0.000 0.477 259 T N -4.951 109.634 114.554 0.051 0.000 3.098 259 T HA 0.155 4.505 4.350 -0.000 0.000 0.256 259 T C 0.455 175.097 174.700 -0.096 0.000 0.921 259 T CA -0.311 61.799 62.100 0.016 0.000 0.916 259 T CB 0.262 69.156 68.868 0.045 0.000 1.246 259 T HN -0.180 nan 8.240 nan 0.000 0.511 260 V N 4.649 124.481 119.914 -0.137 0.000 2.389 260 V HA 0.390 4.510 4.120 -0.000 0.000 0.264 260 V C -2.469 173.565 176.094 -0.100 0.000 1.049 260 V CA -1.901 60.147 62.300 -0.420 0.000 0.932 260 V CB 0.596 32.074 31.823 -0.575 0.000 1.011 260 V HN 0.263 nan 8.190 nan 0.000 0.475 261 P HA 0.090 nan 4.420 nan 0.000 0.266 261 P C -1.751 175.630 177.300 0.134 0.000 1.195 261 P CA -1.080 61.972 63.100 -0.080 0.000 0.768 261 P CB 0.190 31.794 31.700 -0.161 0.000 0.838 262 P HA -0.175 nan 4.420 nan 0.000 0.225 262 P C 0.905 178.225 177.300 0.033 0.000 1.148 262 P CA 1.223 64.299 63.100 -0.040 0.000 0.779 262 P CB -0.223 31.370 31.700 -0.178 0.000 0.780 263 A N 0.124 122.953 122.820 0.016 0.000 2.067 263 A HA -0.009 4.310 4.320 -0.000 0.000 0.219 263 A C 1.282 178.856 177.584 -0.017 0.000 1.158 263 A CA 0.521 52.548 52.037 -0.016 0.000 0.661 263 A CB -1.169 17.805 19.000 -0.044 0.000 0.801 263 A HN 0.084 nan 8.150 nan 0.000 0.452 264 V N 1.425 121.359 119.914 0.034 0.000 2.493 264 V HA -0.022 4.098 4.120 -0.000 0.000 0.292 264 V C 1.655 177.760 176.094 0.019 0.000 1.016 264 V CA 0.923 63.218 62.300 -0.009 0.000 1.097 264 V CB 0.472 32.243 31.823 -0.087 0.000 0.947 264 V HN 0.556 nan 8.190 nan 0.000 0.479 265 T N 3.659 118.142 114.554 -0.118 0.000 2.788 265 T HA 0.091 4.441 4.350 -0.000 0.000 0.268 265 T C 0.759 175.353 174.700 -0.177 0.000 1.044 265 T CA 1.435 63.392 62.100 -0.237 0.000 1.139 265 T CB -0.025 68.570 68.868 -0.455 0.000 0.867 265 T HN 0.990 nan 8.240 nan 0.000 0.454 266 G N -0.544 108.159 108.800 -0.162 0.000 2.632 266 G HA2 0.498 4.458 3.960 -0.000 0.000 0.292 266 G HA3 0.498 4.458 3.960 -0.000 0.000 0.292 266 G C -2.048 172.694 174.900 -0.264 0.000 1.465 266 G CA -0.694 44.308 45.100 -0.165 0.000 0.824 266 G HN 0.066 nan 8.290 nan 0.000 0.509 267 V N 1.234 120.954 119.914 -0.324 0.000 2.378 267 V HA 0.636 4.755 4.120 -0.000 0.000 0.288 267 V C 0.169 175.941 176.094 -0.537 0.000 1.016 267 V CA -0.426 61.560 62.300 -0.522 0.000 0.840 267 V CB 1.472 32.847 31.823 -0.747 0.000 0.994 267 V HN 1.079 nan 8.190 nan 0.000 0.431 268 T N 1.905 116.177 114.554 -0.469 0.000 2.947 268 T HA 0.596 4.945 4.350 -0.000 0.000 0.337 268 T C -0.462 174.076 174.700 -0.270 0.000 1.139 268 T CA -0.398 61.493 62.100 -0.348 0.000 0.992 268 T CB -0.181 68.521 68.868 -0.277 0.000 1.043 268 T HN 0.132 nan 8.240 nan 0.000 0.498 269 F N 3.332 123.257 119.950 -0.042 0.000 2.563 269 F HA 0.360 4.887 4.527 -0.000 0.000 0.363 269 F C 0.785 176.694 175.800 0.182 0.000 1.123 269 F CA -1.160 56.879 58.000 0.064 0.000 1.307 269 F CB 0.295 39.367 39.000 0.121 0.000 1.115 269 F HN 0.559 nan 8.300 nan 0.000 0.592 270 L N 0.472 121.929 121.223 0.390 0.000 2.357 270 L HA 0.533 4.873 4.340 -0.000 0.000 0.273 270 L C 0.784 177.871 176.870 0.362 0.000 1.080 270 L CA -0.223 54.824 54.840 0.346 0.000 0.803 270 L CB 1.137 43.318 42.059 0.203 0.000 1.174 270 L HN 0.587 nan 8.230 nan 0.000 0.443 271 S N 0.016 115.868 115.700 0.253 0.000 2.524 271 S HA 0.424 4.894 4.470 -0.000 0.000 0.216 271 S C 1.206 175.815 174.600 0.017 0.000 0.987 271 S CA 0.068 58.265 58.200 -0.005 0.000 0.909 271 S CB -0.798 62.139 63.200 -0.438 0.000 0.781 271 S HN 1.638 nan 8.310 nan 0.000 0.521 272 G N 1.703 110.546 108.800 0.071 0.000 2.591 272 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.298 272 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.298 272 G C 0.694 175.637 174.900 0.072 0.000 1.195 272 G CA 0.090 45.239 45.100 0.082 0.000 0.989 272 G HN 1.386 nan 8.290 nan 0.000 0.551 273 G N 0.275 109.152 108.800 0.128 0.000 3.434 273 G HA2 0.481 4.440 3.960 -0.000 0.000 0.258 273 G HA3 0.481 4.440 3.960 -0.000 0.000 0.258 273 G C 0.578 175.498 174.900 0.033 0.000 1.128 273 G CA 0.773 45.921 45.100 0.079 0.000 0.792 273 G HN 0.731 nan 8.290 nan 0.000 0.539 274 Q N 1.001 120.810 119.800 0.015 0.000 2.394 274 Q HA 0.359 4.698 4.340 -0.000 0.000 0.248 274 Q C 0.769 176.723 176.000 -0.077 0.000 0.992 274 Q CA -0.217 55.570 55.803 -0.026 0.000 0.888 274 Q CB 1.101 29.800 28.738 -0.065 0.000 1.257 274 Q HN 0.383 nan 8.270 nan 0.000 0.462 275 S N 0.649 116.311 115.700 -0.064 0.000 2.608 275 S HA 0.035 4.505 4.470 -0.000 0.000 0.261 275 S C 0.717 175.247 174.600 -0.117 0.000 1.314 275 S CA -0.504 57.655 58.200 -0.069 0.000 0.992 275 S CB 0.801 63.978 63.200 -0.039 0.000 0.935 275 S HN 0.671 nan 8.310 nan 0.000 0.564 276 E N 0.446 120.586 120.200 -0.100 0.000 2.058 276 E HA -0.208 4.141 4.350 -0.000 0.000 0.194 276 E C 1.890 178.403 176.600 -0.146 0.000 0.997 276 E CA 1.548 57.872 56.400 -0.128 0.000 0.801 276 E CB -0.200 29.460 29.700 -0.067 0.000 0.746 276 E HN 0.796 nan 8.360 nan 0.000 0.450 277 E N 1.071 121.215 120.200 -0.093 0.000 2.072 277 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 277 E C 1.883 178.403 176.600 -0.132 0.000 0.985 277 E CA 1.316 57.665 56.400 -0.085 0.000 0.801 277 E CB -0.010 29.682 29.700 -0.013 0.000 0.750 277 E HN 0.271 nan 8.360 nan 0.000 0.452 278 E N -0.356 119.784 120.200 -0.100 0.000 2.058 278 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 278 E C 1.901 178.407 176.600 -0.157 0.000 0.997 278 E CA 1.292 57.637 56.400 -0.091 0.000 0.801 278 E CB -0.257 29.432 29.700 -0.018 0.000 0.746 278 E HN 0.291 nan 8.360 nan 0.000 0.450 279 A N 0.273 122.967 122.820 -0.209 0.000 1.972 279 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 279 A C 2.342 179.814 177.584 -0.185 0.000 1.169 279 A CA 1.738 53.613 52.037 -0.270 0.000 0.635 279 A CB -0.415 18.206 19.000 -0.631 0.000 0.810 279 A HN 0.292 nan 8.150 nan 0.000 0.446 280 S N -0.337 115.196 115.700 -0.277 0.000 2.371 280 S HA -0.015 4.454 4.470 -0.000 0.000 0.224 280 S C 1.791 176.081 174.600 -0.517 0.000 1.029 280 S CA 1.199 59.136 58.200 -0.439 0.000 0.978 280 S CB -0.400 62.366 63.200 -0.723 0.000 0.833 280 S HN 0.552 nan 8.310 nan 0.000 0.466 281 I N 2.209 122.526 120.570 -0.423 0.000 2.226 281 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 281 I C 2.100 178.059 176.117 -0.264 0.000 1.100 281 I CA 0.865 61.979 61.300 -0.311 0.000 1.374 281 I CB -0.407 37.336 38.000 -0.428 0.000 1.057 281 I HN 0.228 nan 8.210 nan 0.000 0.413 282 N N 0.756 119.317 118.700 -0.232 0.000 2.142 282 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 282 N C 1.825 177.262 175.510 -0.121 0.000 1.023 282 N CA 1.122 54.098 53.050 -0.124 0.000 0.852 282 N CB -0.394 38.046 38.487 -0.079 0.000 0.998 282 N HN 0.205 nan 8.380 nan 0.000 0.424 283 L N 1.617 122.777 121.223 -0.104 0.000 2.083 283 L HA -0.078 4.261 4.340 -0.000 0.000 0.209 283 L C 1.797 178.652 176.870 -0.026 0.000 1.083 283 L CA 1.635 56.442 54.840 -0.055 0.000 0.752 283 L CB -1.022 41.072 42.059 0.059 0.000 0.899 283 L HN 0.098 nan 8.230 nan 0.000 0.433 284 N N -0.334 118.339 118.700 -0.045 0.000 2.120 284 N HA -0.149 4.590 4.740 -0.000 0.000 0.188 284 N C 1.828 177.358 175.510 0.032 0.000 1.024 284 N CA 1.574 54.640 53.050 0.026 0.000 0.852 284 N CB -0.230 38.318 38.487 0.102 0.000 1.003 284 N HN 0.459 nan 8.380 nan 0.000 0.424 285 A N 0.510 123.334 122.820 0.006 0.000 1.902 285 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 285 A C 2.304 179.892 177.584 0.006 0.000 1.181 285 A CA 1.119 53.167 52.037 0.020 0.000 0.623 285 A CB -0.816 18.206 19.000 0.036 0.000 0.818 285 A HN 0.412 nan 8.150 nan 0.000 0.443 286 I N 0.126 120.681 120.570 -0.025 0.000 2.208 286 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 286 I C 2.072 178.213 176.117 0.040 0.000 1.097 286 I CA 1.296 62.581 61.300 -0.024 0.000 1.363 286 I CB -0.363 37.570 38.000 -0.111 0.000 1.051 286 I HN 0.377 nan 8.210 nan 0.000 0.413 287 N N 0.670 119.403 118.700 0.055 0.000 2.396 287 N HA -0.109 4.631 4.740 -0.000 0.000 0.180 287 N C 1.388 176.929 175.510 0.052 0.000 1.028 287 N CA 0.896 53.990 53.050 0.073 0.000 0.893 287 N CB 0.078 38.614 38.487 0.081 0.000 0.967 287 N HN 0.449 nan 8.380 nan 0.000 0.440 288 K N 0.165 120.589 120.400 0.040 0.000 2.393 288 K HA 0.090 4.410 4.320 -0.000 0.000 0.193 288 K C 0.488 177.099 176.600 0.019 0.000 1.026 288 K CA -0.236 56.069 56.287 0.031 0.000 1.064 288 K CB 0.320 32.841 32.500 0.035 0.000 0.833 288 K HN 0.035 nan 8.250 nan 0.000 0.521 289 C N 4.552 123.861 119.300 0.014 0.000 2.523 289 C HA 0.036 4.496 4.460 -0.000 0.000 0.406 289 C C -1.429 173.557 174.990 -0.008 0.000 1.449 289 C CA -1.444 57.571 59.018 -0.005 0.000 1.588 289 C CB -0.029 27.703 27.740 -0.013 0.000 2.514 289 C HN 0.307 nan 8.230 nan 0.000 0.606 290 P HA 0.141 nan 4.420 nan 0.000 0.249 290 P C -0.616 176.666 177.300 -0.029 0.000 1.686 290 P CA 0.786 63.874 63.100 -0.019 0.000 0.873 290 P CB -0.426 31.264 31.700 -0.017 0.000 1.828 291 L N -0.239 120.967 121.223 -0.028 0.000 2.371 291 L HA 0.449 4.789 4.340 -0.000 0.000 0.262 291 L C 0.344 177.189 176.870 -0.042 0.000 1.006 291 L CA -1.479 53.340 54.840 -0.035 0.000 0.818 291 L CB 2.677 44.717 42.059 -0.031 0.000 1.354 291 L HN -0.069 nan 8.230 nan 0.000 0.415 292 L N 2.124 123.307 121.223 -0.068 0.000 2.410 292 L HA 0.166 4.506 4.340 -0.000 0.000 0.273 292 L C -0.703 176.054 176.870 -0.189 0.000 1.144 292 L CA 0.020 54.791 54.840 -0.115 0.000 0.863 292 L CB 0.285 42.268 42.059 -0.126 0.000 1.140 292 L HN 0.514 nan 8.230 nan 0.000 0.463 293 K N 6.645 126.914 120.400 -0.219 0.000 2.521 293 K HA 0.332 4.652 4.320 -0.000 0.000 0.248 293 K C -1.816 174.461 176.600 -0.539 0.000 0.978 293 K CA -1.187 54.877 56.287 -0.371 0.000 0.947 293 K CB 1.199 33.700 32.500 0.001 0.000 1.165 293 K HN 0.368 nan 8.250 nan 0.000 0.445 294 P HA -0.045 nan 4.420 nan 0.000 0.245 294 P C -0.862 176.059 177.300 -0.631 0.000 1.212 294 P CA 0.280 62.897 63.100 -0.804 0.000 0.774 294 P CB 0.198 31.391 31.700 -0.844 0.000 0.999 295 W N -0.651 120.611 121.300 -0.064 0.000 2.962 295 W HA 0.675 5.334 4.660 -0.000 0.000 0.341 295 W C -0.611 175.861 176.519 -0.078 0.000 1.155 295 W CA -1.716 55.575 57.345 -0.091 0.000 1.165 295 W CB 0.958 30.345 29.460 -0.122 0.000 1.435 295 W HN -0.226 nan 8.180 nan 0.000 0.546 296 A N 2.277 125.200 122.820 0.172 0.000 2.511 296 A HA 0.488 4.807 4.320 -0.000 0.000 0.242 296 A C -0.586 177.049 177.584 0.085 0.000 1.069 296 A CA 0.014 52.099 52.037 0.080 0.000 0.763 296 A CB 0.211 19.198 19.000 -0.021 0.000 1.001 296 A HN 0.640 nan 8.150 nan 0.000 0.498 297 L N 3.302 124.597 121.223 0.120 0.000 2.337 297 L HA 0.411 4.751 4.340 -0.000 0.000 0.269 297 L C 0.499 177.468 176.870 0.165 0.000 1.018 297 L CA -0.151 54.793 54.840 0.172 0.000 0.876 297 L CB 1.199 43.458 42.059 0.333 0.000 1.236 297 L HN 0.913 nan 8.230 nan 0.000 0.436 298 T N 1.563 116.147 114.554 0.050 0.000 2.598 298 T HA 0.675 5.025 4.350 -0.000 0.000 0.254 298 T C -0.983 173.733 174.700 0.026 0.000 0.889 298 T CA -0.358 61.759 62.100 0.028 0.000 1.091 298 T CB 1.121 69.875 68.868 -0.190 0.000 1.437 298 T HN 0.208 nan 8.240 nan 0.000 0.542 299 F N -0.072 119.729 119.950 -0.248 0.000 2.575 299 F HA 0.844 5.370 4.527 -0.000 0.000 0.330 299 F C -0.020 175.531 175.800 -0.416 0.000 1.056 299 F CA -1.173 56.493 58.000 -0.557 0.000 0.964 299 F CB 1.701 39.947 39.000 -1.257 0.000 1.258 299 F HN 0.368 nan 8.300 nan 0.000 0.484 300 S N 1.779 117.339 115.700 -0.233 0.000 2.440 300 S HA 0.419 4.888 4.470 -0.000 0.000 0.142 300 S C -1.871 172.879 174.600 0.250 0.000 1.578 300 S CA -0.397 57.786 58.200 -0.027 0.000 1.260 300 S CB -0.647 62.544 63.200 -0.015 0.000 1.407 300 S HN 0.514 nan 8.310 nan 0.000 0.392 301 Y N 0.849 121.345 120.300 0.327 0.000 2.352 301 Y HA 0.696 5.246 4.550 -0.001 0.000 0.326 301 Y C 1.241 177.241 175.900 0.167 0.000 1.166 301 Y CA -0.597 57.636 58.100 0.221 0.000 1.182 301 Y CB 1.270 39.838 38.460 0.178 0.000 1.216 301 Y HN 0.467 nan 8.280 nan 0.000 0.474 302 G N 2.096 111.067 108.800 0.286 0.000 2.495 302 G HA2 0.013 3.973 3.960 -0.000 0.000 0.219 302 G HA3 0.013 3.973 3.960 -0.000 0.000 0.219 302 G C 1.249 176.234 174.900 0.142 0.000 1.875 302 G CA -0.153 45.053 45.100 0.177 0.000 0.757 302 G HN 0.588 nan 8.290 nan 0.000 0.682 303 R N 0.595 121.150 120.500 0.092 0.000 2.120 303 R HA 0.231 4.571 4.340 -0.000 0.000 0.234 303 R C 2.386 178.706 176.300 0.032 0.000 1.123 303 R CA 1.470 57.608 56.100 0.063 0.000 0.975 303 R CB -0.550 29.768 30.300 0.031 0.000 0.866 303 R HN 0.248 nan 8.270 nan 0.000 0.446 304 A N 0.972 123.775 122.820 -0.027 0.000 2.178 304 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 304 A C 1.923 179.501 177.584 -0.010 0.000 1.157 304 A CA 0.886 52.836 52.037 -0.145 0.000 0.689 304 A CB -0.170 18.486 19.000 -0.574 0.000 0.787 304 A HN 0.384 nan 8.150 nan 0.000 0.465 305 L N -2.708 118.587 121.223 0.120 0.000 2.717 305 L HA 0.082 4.422 4.340 -0.000 0.000 0.239 305 L C 2.192 179.205 176.870 0.238 0.000 1.086 305 L CA 0.351 55.307 54.840 0.193 0.000 0.897 305 L CB 0.143 42.388 42.059 0.309 0.000 1.214 305 L HN 0.362 nan 8.230 nan 0.000 0.508 306 Q N -0.491 119.415 119.800 0.176 0.000 2.378 306 Q HA 0.196 4.536 4.340 -0.000 0.000 0.229 306 Q C 2.201 178.301 176.000 0.168 0.000 0.882 306 Q CA 0.580 56.491 55.803 0.179 0.000 0.936 306 Q CB 0.419 29.270 28.738 0.187 0.000 1.092 306 Q HN 0.391 nan 8.270 nan 0.000 0.535 307 A N 1.467 124.355 122.820 0.113 0.000 1.873 307 A HA -0.333 3.987 4.320 -0.000 0.000 0.219 307 A C 2.241 179.883 177.584 0.097 0.000 1.269 307 A CA 2.476 54.563 52.037 0.083 0.000 0.671 307 A CB -1.111 17.913 19.000 0.040 0.000 0.842 307 A HN 0.305 nan 8.150 nan 0.000 0.460 308 S N -0.467 115.288 115.700 0.091 0.000 2.370 308 S HA -0.037 4.432 4.470 -0.000 0.000 0.226 308 S C 2.304 176.986 174.600 0.137 0.000 1.033 308 S CA 1.399 59.656 58.200 0.095 0.000 1.011 308 S CB -0.644 62.602 63.200 0.076 0.000 0.852 308 S HN 0.902 nan 8.310 nan 0.000 0.457 309 A N 1.563 124.485 122.820 0.171 0.000 1.865 309 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 309 A C 2.138 179.895 177.584 0.288 0.000 1.191 309 A CA 1.669 53.833 52.037 0.212 0.000 0.623 309 A CB -0.922 18.200 19.000 0.203 0.000 0.826 309 A HN 0.419 nan 8.150 nan 0.000 0.444 310 L N 0.012 121.416 121.223 0.303 0.000 2.012 310 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 310 L C 2.371 179.382 176.870 0.235 0.000 1.073 310 L CA 2.768 57.795 54.840 0.312 0.000 0.748 310 L CB -0.539 41.613 42.059 0.155 0.000 0.891 310 L HN 0.512 nan 8.230 nan 0.000 0.431 311 K N -0.888 119.602 120.400 0.149 0.000 2.026 311 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 311 K C 1.987 178.653 176.600 0.111 0.000 1.048 311 K CA 1.334 57.675 56.287 0.090 0.000 0.929 311 K CB -0.272 32.266 32.500 0.063 0.000 0.713 311 K HN 0.425 nan 8.250 nan 0.000 0.439 312 A N 0.570 123.482 122.820 0.154 0.000 1.972 312 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 312 A C 1.854 179.577 177.584 0.232 0.000 1.169 312 A CA 1.406 53.539 52.037 0.159 0.000 0.635 312 A CB -0.924 18.170 19.000 0.157 0.000 0.810 312 A HN 0.737 nan 8.150 nan 0.000 0.446 313 W N 0.161 121.514 121.300 0.088 0.000 2.378 313 W HA 0.121 4.781 4.660 -0.001 0.000 0.313 313 W C 1.705 178.268 176.519 0.074 0.000 1.197 313 W CA 1.894 59.308 57.345 0.114 0.000 1.304 313 W CB -0.721 28.841 29.460 0.170 0.000 1.148 313 W HN 0.695 nan 8.180 nan 0.000 0.494 314 G N -0.228 108.486 108.800 -0.144 0.000 2.205 314 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.269 314 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.269 314 G C 1.361 175.808 174.900 -0.755 0.000 0.977 314 G CA 1.380 46.265 45.100 -0.358 0.000 0.652 314 G HN 1.605 nan 8.290 nan 0.000 0.539 315 G N -1.520 106.243 108.800 -1.728 0.000 2.141 315 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.242 315 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.242 315 G C 0.117 174.543 174.900 -0.791 0.000 0.982 315 G CA 1.001 45.056 45.100 -1.742 0.000 0.662 315 G HN 1.069 nan 8.290 nan 0.000 0.527 316 K N 0.168 120.248 120.400 -0.534 0.000 2.265 316 K HA 0.432 4.751 4.320 -0.000 0.000 0.267 316 K C 1.120 177.813 176.600 0.155 0.000 0.994 316 K CA -0.526 55.686 56.287 -0.125 0.000 0.860 316 K CB 1.920 34.370 32.500 -0.083 0.000 1.099 316 K HN 0.109 nan 8.250 nan 0.000 0.448 317 K N 2.139 122.602 120.400 0.105 0.000 2.113 317 K HA -0.225 4.094 4.320 -0.000 0.000 0.208 317 K C 0.592 177.338 176.600 0.242 0.000 1.047 317 K CA 1.836 58.233 56.287 0.183 0.000 0.928 317 K CB 0.276 32.780 32.500 0.007 0.000 0.716 317 K HN 0.469 nan 8.250 nan 0.000 0.446 318 E N 0.418 120.707 120.200 0.149 0.000 2.409 318 E HA -0.106 4.244 4.350 -0.000 0.000 0.198 318 E C 0.792 177.487 176.600 0.158 0.000 1.024 318 E CA 0.735 57.212 56.400 0.129 0.000 0.861 318 E CB -0.026 29.720 29.700 0.077 0.000 0.788 318 E HN 0.313 nan 8.360 nan 0.000 0.521 319 N N 0.249 119.082 118.700 0.222 0.000 2.268 319 N HA 0.039 4.779 4.740 -0.000 0.000 0.204 319 N C 1.189 176.874 175.510 0.292 0.000 1.124 319 N CA -0.043 53.149 53.050 0.237 0.000 0.838 319 N CB 0.325 38.956 38.487 0.240 0.000 0.994 319 N HN 0.134 nan 8.380 nan 0.000 0.489 320 L N 1.658 123.063 121.223 0.304 0.000 1.963 320 L HA -0.223 4.117 4.340 -0.000 0.000 0.220 320 L C 1.969 178.911 176.870 0.121 0.000 1.076 320 L CA 1.955 56.928 54.840 0.221 0.000 0.772 320 L CB -0.301 41.884 42.059 0.210 0.000 0.892 320 L HN -0.099 nan 8.230 nan 0.000 0.435 321 K N -0.100 120.366 120.400 0.109 0.000 2.032 321 K HA -0.111 4.209 4.320 -0.000 0.000 0.209 321 K C 2.130 178.781 176.600 0.085 0.000 1.048 321 K CA 1.605 57.939 56.287 0.078 0.000 0.927 321 K CB -1.035 31.507 32.500 0.070 0.000 0.712 321 K HN 0.541 nan 8.250 nan 0.000 0.441 322 A N 1.291 124.174 122.820 0.105 0.000 1.933 322 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 322 A C 2.402 180.059 177.584 0.121 0.000 1.175 322 A CA 2.049 54.148 52.037 0.103 0.000 0.628 322 A CB -0.510 18.555 19.000 0.108 0.000 0.814 322 A HN 0.319 nan 8.150 nan 0.000 0.444 323 A N -0.650 122.261 122.820 0.152 0.000 1.873 323 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 323 A C 2.107 179.762 177.584 0.119 0.000 1.186 323 A CA 1.479 53.616 52.037 0.166 0.000 0.616 323 A CB -0.587 18.541 19.000 0.212 0.000 0.823 323 A HN 0.619 nan 8.150 nan 0.000 0.442 324 Q N -0.988 118.858 119.800 0.077 0.000 2.170 324 Q HA -0.230 4.110 4.340 -0.000 0.000 0.203 324 Q C 2.005 178.078 176.000 0.121 0.000 0.976 324 Q CA 1.550 57.407 55.803 0.089 0.000 0.858 324 Q CB -0.146 28.615 28.738 0.039 0.000 0.907 324 Q HN 0.698 nan 8.270 nan 0.000 0.433 325 E N 0.935 121.187 120.200 0.086 0.000 2.110 325 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 325 E C 1.716 178.352 176.600 0.060 0.000 0.988 325 E CA 1.023 57.459 56.400 0.060 0.000 0.804 325 E CB 0.135 29.867 29.700 0.053 0.000 0.745 325 E HN 0.214 nan 8.360 nan 0.000 0.458 326 E N -0.616 119.639 120.200 0.092 0.000 2.106 326 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 326 E C 1.926 178.588 176.600 0.103 0.000 0.984 326 E CA 0.919 57.373 56.400 0.090 0.000 0.806 326 E CB -0.527 29.240 29.700 0.112 0.000 0.750 326 E HN 0.431 nan 8.360 nan 0.000 0.458 327 Y N 1.521 121.827 120.300 0.010 0.000 2.163 327 Y HA -0.170 4.379 4.550 -0.000 0.000 0.288 327 Y C 2.224 178.118 175.900 -0.010 0.000 1.136 327 Y CA 0.999 59.095 58.100 -0.006 0.000 1.147 327 Y CB -0.476 37.962 38.460 -0.036 0.000 0.987 327 Y HN -0.210 nan 8.280 nan 0.000 0.509 328 V N 1.231 121.006 119.914 -0.231 0.000 2.392 328 V HA -0.329 3.791 4.120 -0.000 0.000 0.249 328 V C 2.336 178.301 176.094 -0.215 0.000 1.059 328 V CA 2.343 64.461 62.300 -0.304 0.000 1.051 328 V CB -0.625 31.135 31.823 -0.105 0.000 0.658 328 V HN 0.363 nan 8.190 nan 0.000 0.455 329 K N -0.448 119.885 120.400 -0.112 0.000 2.097 329 K HA -0.137 4.182 4.320 -0.000 0.000 0.206 329 K C 2.375 178.922 176.600 -0.089 0.000 1.049 329 K CA 1.014 57.261 56.287 -0.068 0.000 0.933 329 K CB -0.167 32.323 32.500 -0.018 0.000 0.717 329 K HN 0.283 nan 8.250 nan 0.000 0.442 330 R N 0.209 120.637 120.500 -0.121 0.000 2.119 330 R HA 0.049 4.389 4.340 -0.000 0.000 0.222 330 R C 2.103 178.266 176.300 -0.229 0.000 1.088 330 R CA 1.022 57.041 56.100 -0.134 0.000 0.984 330 R CB -0.761 29.495 30.300 -0.074 0.000 0.884 330 R HN 0.191 nan 8.270 nan 0.000 0.447 331 A N 1.095 123.722 122.820 -0.321 0.000 1.898 331 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 331 A C 2.306 179.778 177.584 -0.187 0.000 1.181 331 A CA 0.923 52.772 52.037 -0.313 0.000 0.620 331 A CB -0.482 18.238 19.000 -0.467 0.000 0.819 331 A HN 0.171 nan 8.150 nan 0.000 0.442 332 L N -0.827 120.309 121.223 -0.146 0.000 2.093 332 L HA -0.164 4.175 4.340 -0.000 0.000 0.208 332 L C 3.091 179.944 176.870 -0.028 0.000 1.085 332 L CA 0.976 55.777 54.840 -0.064 0.000 0.755 332 L CB -0.522 41.509 42.059 -0.046 0.000 0.904 332 L HN 0.440 nan 8.230 nan 0.000 0.435 333 A N 0.214 123.011 122.820 -0.038 0.000 1.902 333 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 333 A C 2.029 179.553 177.584 -0.100 0.000 1.181 333 A CA 1.741 53.801 52.037 0.039 0.000 0.623 333 A CB -0.500 18.515 19.000 0.025 0.000 0.818 333 A HN 0.435 nan 8.150 nan 0.000 0.443 334 N N -0.247 118.287 118.700 -0.278 0.000 2.331 334 N HA -0.084 4.656 4.740 -0.000 0.000 0.180 334 N C 1.906 177.327 175.510 -0.149 0.000 1.019 334 N CA 1.217 53.999 53.050 -0.446 0.000 0.881 334 N CB -0.208 37.581 38.487 -1.162 0.000 0.972 334 N HN 0.482 nan 8.380 nan 0.000 0.435 335 S N 0.886 116.574 115.700 -0.019 0.000 2.383 335 S HA 0.061 4.531 4.470 -0.000 0.000 0.227 335 S C 1.973 176.635 174.600 0.103 0.000 1.026 335 S CA 0.542 58.823 58.200 0.135 0.000 0.981 335 S CB -0.042 63.211 63.200 0.087 0.000 0.818 335 S HN 0.199 nan 8.310 nan 0.000 0.472 336 L N 0.897 122.170 121.223 0.084 0.000 2.072 336 L HA 0.032 4.372 4.340 -0.000 0.000 0.205 336 L C 2.977 179.924 176.870 0.128 0.000 1.079 336 L CA 1.053 55.960 54.840 0.112 0.000 0.752 336 L CB -0.742 41.408 42.059 0.152 0.000 0.906 336 L HN 0.392 nan 8.230 nan 0.000 0.436 337 A N 0.256 123.135 122.820 0.098 0.000 1.908 337 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 337 A C 2.286 179.921 177.584 0.086 0.000 1.181 337 A CA 1.765 53.834 52.037 0.055 0.000 0.627 337 A CB -1.191 17.729 19.000 -0.134 0.000 0.818 337 A HN 0.716 nan 8.150 nan 0.000 0.445 338 C N -1.723 117.652 119.300 0.125 0.000 2.525 338 C HA 0.301 4.761 4.460 -0.000 0.000 0.279 338 C C 1.541 176.592 174.990 0.103 0.000 1.437 338 C CA 0.421 59.525 59.018 0.144 0.000 1.704 338 C CB -1.723 26.134 27.740 0.195 0.000 1.672 338 C HN 0.616 nan 8.230 nan 0.000 0.582 339 Q N -0.121 119.734 119.800 0.091 0.000 2.140 339 Q HA 0.267 4.606 4.340 -0.000 0.000 0.227 339 Q C 1.466 177.507 176.000 0.067 0.000 0.798 339 Q CA 0.468 56.313 55.803 0.070 0.000 0.987 339 Q CB 0.926 29.702 28.738 0.062 0.000 1.161 339 Q HN 0.720 nan 8.270 nan 0.000 0.480 340 G N 2.149 110.998 108.800 0.081 0.000 2.176 340 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.252 340 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.252 340 G C 0.427 175.372 174.900 0.075 0.000 1.024 340 G CA 0.671 45.817 45.100 0.077 0.000 0.755 340 G HN 0.263 nan 8.290 nan 0.000 0.507 341 K N -1.028 119.426 120.400 0.089 0.000 2.414 341 K HA 0.218 4.538 4.320 -0.000 0.000 0.204 341 K C 0.476 177.124 176.600 0.081 0.000 1.026 341 K CA -0.633 55.694 56.287 0.066 0.000 1.108 341 K CB 0.726 33.256 32.500 0.049 0.000 0.855 341 K HN 0.447 nan 8.250 nan 0.000 0.517 342 Y N 2.585 122.880 120.300 -0.007 0.000 2.346 342 Y HA 0.090 4.640 4.550 -0.000 0.000 0.330 342 Y C 0.033 175.920 175.900 -0.022 0.000 1.178 342 Y CA 0.114 58.203 58.100 -0.019 0.000 1.331 342 Y CB 0.758 39.202 38.460 -0.027 0.000 1.253 342 Y HN 0.021 nan 8.280 nan 0.000 0.529 343 T N 3.483 117.489 114.554 -0.913 0.000 2.956 343 T HA 0.338 4.687 4.350 -0.000 0.000 0.312 343 T C -2.443 171.700 174.700 -0.929 0.000 1.151 343 T CA -1.947 59.721 62.100 -0.720 0.000 1.024 343 T CB 1.903 70.584 68.868 -0.312 0.000 1.140 343 T HN 0.321 nan 8.240 nan 0.000 0.473 344 P HA -0.146 nan 4.420 nan 0.000 0.218 344 P C 1.775 178.948 177.300 -0.211 0.000 1.146 344 P CA 1.435 64.343 63.100 -0.319 0.000 0.813 344 P CB 0.018 31.639 31.700 -0.132 0.000 0.778 345 S N -2.420 113.160 115.700 -0.200 0.000 2.453 345 S HA 0.200 4.670 4.470 -0.000 0.000 0.231 345 S C 1.377 175.908 174.600 -0.114 0.000 1.005 345 S CA 0.924 59.051 58.200 -0.122 0.000 0.949 345 S CB -0.872 62.268 63.200 -0.099 0.000 0.774 345 S HN 0.349 nan 8.310 nan 0.000 0.510 346 G N 1.157 109.854 108.800 -0.172 0.000 2.637 346 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.211 346 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.211 346 G C 0.408 175.249 174.900 -0.098 0.000 1.213 346 G CA 0.303 45.339 45.100 -0.106 0.000 1.207 346 G HN 0.237 nan 8.290 nan 0.000 0.559 347 Q N 1.134 120.903 119.800 -0.053 0.000 1.969 347 Q HA 0.482 4.821 4.340 -0.000 0.000 0.198 347 Q C 1.184 177.154 176.000 -0.049 0.000 0.978 347 Q CA 2.734 58.515 55.803 -0.037 0.000 0.830 347 Q CB -0.243 28.483 28.738 -0.019 0.000 0.896 347 Q HN 2.031 nan 8.270 nan 0.000 0.431 360 N N -0.554 118.219 118.700 0.121 0.000 2.065 360 N HA 0.193 4.932 4.740 -0.000 0.000 0.266 360 N C 0.608 176.154 175.510 0.059 0.000 1.109 360 N CA 0.155 53.231 53.050 0.043 0.000 0.763 360 N CB -0.065 38.284 38.487 -0.230 0.000 1.660 360 N HN 0.561 nan 8.380 nan 0.000 0.603 361 H N 0.062 119.235 119.070 0.171 0.000 2.555 361 H HA 0.356 4.911 4.556 -0.001 0.000 0.269 361 H C 1.099 176.482 175.328 0.092 0.000 0.988 361 H CA 1.005 57.123 56.048 0.118 0.000 1.178 361 H CB 0.201 30.006 29.762 0.072 0.000 1.373 361 H HN 0.388 nan 8.280 nan 0.000 0.588 362 A N 0.075 122.983 122.820 0.147 0.000 2.238 362 A HA 0.085 4.404 4.320 -0.000 0.000 0.208 362 A C 0.151 177.593 177.584 -0.237 0.000 1.177 362 A CA 0.119 52.117 52.037 -0.065 0.000 0.804 362 A CB -0.218 18.676 19.000 -0.177 0.000 0.823 362 A HN 0.153 nan 8.150 nan 0.000 0.482 363 Y N 0.000 120.339 120.300 0.065 0.000 2.660 363 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 363 Y CA 0.000 58.136 58.100 0.060 0.000 1.940 363 Y CB 0.000 38.484 38.460 0.040 0.000 1.050 363 Y HN 0.000 nan 8.280 nan 0.000 0.758