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 2bf4_1_A DATA FIRST_RESID 47 DATA SEQUENCE NRDIAQVVTE NNKNYLVLYA SQTGTAEDYA KKFSKELVAK FNLNVMCADV DATA SEQUENCE ENYDFESLND VPVIVSIFIS TYGEGDFPDG AVNFEDFICN AEAGALSNLR DATA SEQUENCE YNMFGLGNST YEFFNGAAKK AEKHLSAAGA IRLGKLGEAD DGAGTTDEDY DATA SEQUENCE MAWKDSILEV LKDELHLDEQ EAKFTSQFQY TVLNEITDSM SLGEPSAHYL DATA SEQUENCE PSHQLNRNAD GIQLGPFDLS QPYIAPIVKS RELFSSNDRN CIHSEFDLSG DATA SEQUENCE SNIKYSTGDH LAVWPSNPLE KVEQFLSIFN LDPETIFDLK PLDPTVKVPF DATA SEQUENCE PTPTTIGAAI KHYLEITGPV SRQLFSSLIQ FAPNADVKEK LTLLSKDKDQ DATA SEQUENCE FAVEITSKYF NIADALKYLS DGAKWDTVPM QFLVESVPQM TPRYYSISSS DATA SEQUENCE SLSEKQTVHV TSIVENFPNP ELPDAPPVVG VTTNLLRNIQ LAQNNVNIAE DATA SEQUENCE TNLPVHYDLN GPRKLFANYK LPVHVRRSNF RLPSNPSTPV IMIGPGTGVA DATA SEQUENCE PFRGFIRERV AFLESQKKGG NNVSLGKHIL FYGSRNTDDF LYQDEWPEYA DATA SEQUENCE KKLDGSFEMV VAHSRLPNTK KVYVQDKLKD YEDQVFEMIN NGAFIYVCGD DATA SEQUENCE AKGMAKGVST ALVGILSRGK SITTDEATEL IKMLKTSGRY QEDVW 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 47 N HA 0.000 nan 4.740 nan 0.000 0.220 47 N C 0.000 175.513 175.510 0.005 0.000 1.280 47 N CA 0.000 53.061 53.050 0.019 0.000 0.885 47 N CB 0.000 38.481 38.487 -0.010 0.000 1.341 48 R N -0.580 119.934 120.500 0.022 0.000 2.532 48 R HA 0.236 4.576 4.340 0.000 0.000 0.312 48 R C -1.104 175.238 176.300 0.070 0.000 0.923 48 R CA -0.077 56.024 56.100 0.002 0.000 1.115 48 R CB 0.409 30.667 30.300 -0.070 0.000 1.703 48 R HN -0.044 nan 8.270 nan 0.000 0.498 49 D N 1.413 121.829 120.400 0.027 0.000 2.470 49 D HA 0.008 4.648 4.640 0.000 0.000 0.226 49 D C 1.199 177.447 176.300 -0.088 0.000 1.196 49 D CA -0.119 53.854 54.000 -0.044 0.000 0.979 49 D CB 0.539 41.317 40.800 -0.037 0.000 1.059 49 D HN 0.101 nan 8.370 nan 0.000 0.515 50 I N 3.898 124.342 120.570 -0.210 0.000 2.121 50 I HA -0.370 3.800 4.170 0.000 0.000 0.243 50 I C 1.981 177.943 176.117 -0.259 0.000 1.047 50 I CA 2.077 63.148 61.300 -0.383 0.000 1.308 50 I CB -0.316 37.265 38.000 -0.699 0.000 1.015 50 I HN 0.427 nan 8.210 nan 0.000 0.410 51 A N -1.006 121.700 122.820 -0.189 0.000 1.972 51 A HA -0.292 4.028 4.320 0.000 0.000 0.219 51 A C 2.359 179.891 177.584 -0.087 0.000 1.169 51 A CA 1.981 53.947 52.037 -0.118 0.000 0.635 51 A CB -0.753 18.197 19.000 -0.084 0.000 0.810 51 A HN 0.692 nan 8.150 nan 0.000 0.446 52 Q N -0.477 119.276 119.800 -0.079 0.000 2.096 52 Q HA -0.073 4.267 4.340 0.000 0.000 0.197 52 Q C 1.948 177.921 176.000 -0.045 0.000 0.964 52 Q CA 1.498 57.272 55.803 -0.049 0.000 0.838 52 Q CB -0.078 28.639 28.738 -0.035 0.000 0.906 52 Q HN 0.446 nan 8.270 nan 0.000 0.444 53 V N 0.017 119.896 119.914 -0.059 0.000 2.358 53 V HA -0.222 3.899 4.120 0.000 0.000 0.246 53 V C 2.286 178.340 176.094 -0.067 0.000 1.047 53 V CA 1.302 63.575 62.300 -0.045 0.000 1.035 53 V CB -0.472 31.326 31.823 -0.042 0.000 0.658 53 V HN 0.207 nan 8.190 nan 0.000 0.452 54 V N 1.133 120.984 119.914 -0.105 0.000 2.220 54 V HA -0.303 3.817 4.120 0.000 0.000 0.246 54 V C 2.875 178.942 176.094 -0.046 0.000 1.049 54 V CA 2.853 65.103 62.300 -0.083 0.000 1.003 54 V CB -1.385 30.380 31.823 -0.097 0.000 0.634 54 V HN 0.821 nan 8.190 nan 0.000 0.444 55 T N -1.120 113.408 114.554 -0.043 0.000 2.635 55 T HA -0.304 4.046 4.350 0.000 0.000 0.267 55 T C 1.682 176.371 174.700 -0.018 0.000 1.040 55 T CA 1.956 64.040 62.100 -0.026 0.000 1.156 55 T CB -0.672 68.181 68.868 -0.026 0.000 0.863 55 T HN 0.571 nan 8.240 nan 0.000 0.430 56 E N 1.401 121.590 120.200 -0.019 0.000 2.209 56 E HA -0.090 4.260 4.350 0.000 0.000 0.196 56 E C 1.555 178.149 176.600 -0.009 0.000 0.993 56 E CA 0.933 57.326 56.400 -0.012 0.000 0.819 56 E CB -0.139 29.555 29.700 -0.009 0.000 0.745 56 E HN 0.573 nan 8.360 nan 0.000 0.477 57 N N 1.063 119.756 118.700 -0.012 0.000 2.235 57 N HA 0.017 4.757 4.740 0.000 0.000 0.209 57 N C -0.705 174.802 175.510 -0.006 0.000 1.122 57 N CA 0.016 53.061 53.050 -0.009 0.000 0.845 57 N CB 0.475 38.956 38.487 -0.010 0.000 1.004 57 N HN 0.089 nan 8.380 nan 0.000 0.499 58 N N 1.682 120.379 118.700 -0.005 0.000 2.688 58 N HA -0.155 4.585 4.740 0.000 0.000 0.258 58 N C -0.839 174.677 175.510 0.009 0.000 1.016 58 N CA 0.978 54.028 53.050 0.001 0.000 0.747 58 N CB -0.788 37.700 38.487 0.002 0.000 0.895 58 N HN 0.263 nan 8.380 nan 0.000 0.543 59 K N 1.067 121.472 120.400 0.009 0.000 2.201 59 K HA 0.274 4.594 4.320 0.000 0.000 0.278 59 K C 1.231 177.858 176.600 0.046 0.000 1.027 59 K CA -0.573 55.731 56.287 0.028 0.000 0.909 59 K CB 1.002 33.512 32.500 0.017 0.000 1.062 59 K HN 0.134 nan 8.250 nan 0.000 0.465 60 N N 0.895 119.644 118.700 0.081 0.000 2.376 60 N HA -0.080 4.660 4.740 0.000 0.000 0.177 60 N C -0.176 175.452 175.510 0.196 0.000 1.024 60 N CA 0.792 53.907 53.050 0.109 0.000 0.893 60 N CB 0.107 38.656 38.487 0.104 0.000 0.980 60 N HN 0.493 nan 8.380 nan 0.000 0.439 61 Y N 0.099 120.427 120.300 0.047 0.000 2.534 61 Y HA 0.470 5.020 4.550 0.000 0.000 0.345 61 Y C -1.474 174.484 175.900 0.098 0.000 1.031 61 Y CA -1.245 56.905 58.100 0.083 0.000 1.022 61 Y CB 1.529 40.050 38.460 0.102 0.000 1.292 61 Y HN -0.198 nan 8.280 nan 0.000 0.459 62 L N 5.427 126.498 121.223 -0.253 0.000 2.333 62 L HA 0.783 5.123 4.340 0.000 0.000 0.280 62 L C -1.774 175.111 176.870 0.026 0.000 1.004 62 L CA -0.686 54.110 54.840 -0.072 0.000 0.820 62 L CB 1.567 43.567 42.059 -0.097 0.000 1.247 62 L HN 0.403 nan 8.230 nan 0.000 0.416 63 V N 6.746 126.803 119.914 0.238 0.000 2.376 63 V HA 0.460 4.580 4.120 0.000 0.000 0.287 63 V C 0.008 176.293 176.094 0.319 0.000 1.015 63 V CA -0.443 62.107 62.300 0.416 0.000 0.834 63 V CB 1.292 33.472 31.823 0.596 0.000 1.001 63 V HN 0.650 nan 8.190 nan 0.000 0.428 64 L N 5.548 126.946 121.223 0.292 0.000 2.352 64 L HA 0.738 5.078 4.340 0.000 0.000 0.269 64 L C -0.788 176.225 176.870 0.239 0.000 1.034 64 L CA -0.853 54.066 54.840 0.133 0.000 0.806 64 L CB 1.727 43.795 42.059 0.016 0.000 1.244 64 L HN 0.760 nan 8.230 nan 0.000 0.447 65 Y N -0.067 120.263 120.300 0.051 0.000 2.482 65 Y HA 0.756 5.306 4.550 0.000 0.000 0.334 65 Y C -1.053 174.819 175.900 -0.046 0.000 1.091 65 Y CA -1.466 56.668 58.100 0.057 0.000 1.027 65 Y CB 1.433 39.932 38.460 0.065 0.000 1.306 65 Y HN 0.470 nan 8.280 nan 0.000 0.446 66 A N 2.827 125.706 122.820 0.098 0.000 2.508 66 A HA 0.649 4.969 4.320 0.000 0.000 0.336 66 A C -0.699 176.959 177.584 0.123 0.000 1.360 66 A CA -0.276 51.774 52.037 0.021 0.000 0.841 66 A CB 0.197 19.165 19.000 -0.054 0.000 1.136 66 A HN 0.924 nan 8.150 nan 0.000 0.489 67 S N 1.529 117.344 115.700 0.192 0.000 2.561 67 S HA 0.409 4.880 4.470 0.000 0.000 0.303 67 S C 0.576 175.192 174.600 0.027 0.000 1.110 67 S CA -0.380 57.901 58.200 0.135 0.000 1.034 67 S CB 1.740 65.037 63.200 0.163 0.000 1.010 67 S HN 0.644 nan 8.310 nan 0.000 0.482 68 Q N 3.248 122.979 119.800 -0.113 0.000 2.061 68 Q HA 0.145 4.485 4.340 0.000 0.000 0.195 68 Q C 1.488 177.439 176.000 -0.080 0.000 0.967 68 Q CA 2.112 57.751 55.803 -0.272 0.000 0.829 68 Q CB -0.533 27.635 28.738 -0.950 0.000 0.900 68 Q HN 0.727 nan 8.270 nan 0.000 0.450 69 T N -1.066 113.509 114.554 0.035 0.000 3.086 69 T HA 0.321 4.671 4.350 0.000 0.000 0.250 69 T C 0.776 175.512 174.700 0.060 0.000 1.074 69 T CA 0.569 62.725 62.100 0.094 0.000 0.988 69 T CB 0.205 69.168 68.868 0.157 0.000 0.988 69 T HN 0.578 nan 8.240 nan 0.000 0.530 70 G N 1.007 109.833 108.800 0.042 0.000 2.194 70 G HA2 -0.315 3.645 3.960 0.000 0.000 0.236 70 G HA3 -0.315 3.645 3.960 0.000 0.000 0.236 70 G C 1.106 175.981 174.900 -0.041 0.000 0.987 70 G CA 0.654 45.742 45.100 -0.019 0.000 0.635 70 G HN 0.459 nan 8.290 nan 0.000 0.520 71 T N 1.160 115.740 114.554 0.043 0.000 2.684 71 T HA 0.089 4.439 4.350 0.000 0.000 0.267 71 T C 2.788 177.557 174.700 0.115 0.000 1.036 71 T CA 2.661 64.814 62.100 0.089 0.000 1.148 71 T CB -0.490 68.484 68.868 0.177 0.000 0.863 71 T HN 1.244 nan 8.240 nan 0.000 0.436 72 A N 1.333 124.228 122.820 0.124 0.000 1.933 72 A HA -0.169 4.151 4.320 0.000 0.000 0.218 72 A C 2.225 179.738 177.584 -0.119 0.000 1.175 72 A CA 2.062 54.187 52.037 0.146 0.000 0.628 72 A CB -0.665 18.461 19.000 0.209 0.000 0.814 72 A HN 0.686 nan 8.150 nan 0.000 0.444 73 E N -0.156 119.847 120.200 -0.328 0.000 2.051 73 E HA -0.287 4.063 4.350 0.000 0.000 0.192 73 E C 1.734 177.923 176.600 -0.685 0.000 0.991 73 E CA 1.575 57.392 56.400 -0.970 0.000 0.799 73 E CB -0.274 28.867 29.700 -0.931 0.000 0.748 73 E HN 0.534 nan 8.360 nan 0.000 0.449 74 D N -0.703 119.431 120.400 -0.444 0.000 2.117 74 D HA -0.203 4.438 4.640 0.000 0.000 0.197 74 D C 1.761 177.732 176.300 -0.548 0.000 0.987 74 D CA 1.348 55.085 54.000 -0.439 0.000 0.829 74 D CB -0.335 40.221 40.800 -0.405 0.000 0.961 74 D HN 0.343 nan 8.370 nan 0.000 0.460 75 Y N 0.414 120.432 120.300 -0.470 0.000 2.224 75 Y HA -0.080 4.470 4.550 0.000 0.000 0.289 75 Y C 2.524 177.926 175.900 -0.829 0.000 1.146 75 Y CA 1.152 58.834 58.100 -0.697 0.000 1.182 75 Y CB -0.398 37.643 38.460 -0.699 0.000 0.983 75 Y HN 0.045 nan 8.280 nan 0.000 0.524 76 A N 0.365 122.630 122.820 -0.924 0.000 1.908 76 A HA -0.260 4.060 4.320 0.000 0.000 0.218 76 A C 2.145 179.518 177.584 -0.351 0.000 1.181 76 A CA 2.070 53.435 52.037 -1.120 0.000 0.627 76 A CB -0.530 18.061 19.000 -0.682 0.000 0.818 76 A HN 0.415 nan 8.150 nan 0.000 0.445 77 K N -0.359 119.861 120.400 -0.299 0.000 2.057 77 K HA -0.133 4.187 4.320 0.000 0.000 0.207 77 K C 2.122 178.690 176.600 -0.052 0.000 1.049 77 K CA 1.606 57.817 56.287 -0.126 0.000 0.931 77 K CB -0.183 32.219 32.500 -0.162 0.000 0.714 77 K HN 0.428 nan 8.250 nan 0.000 0.440 78 K N 0.149 120.475 120.400 -0.123 0.000 2.063 78 K HA -0.179 4.141 4.320 0.000 0.000 0.208 78 K C 1.988 178.718 176.600 0.218 0.000 1.048 78 K CA 1.538 57.822 56.287 -0.004 0.000 0.928 78 K CB -0.251 32.177 32.500 -0.120 0.000 0.713 78 K HN 0.047 nan 8.250 nan 0.000 0.442 79 F N 1.396 121.436 119.950 0.150 0.000 2.075 79 F HA -0.239 4.288 4.527 0.000 0.000 0.297 79 F C 2.628 178.559 175.800 0.219 0.000 1.113 79 F CA 1.543 59.742 58.000 0.332 0.000 1.218 79 F CB -0.676 38.648 39.000 0.540 0.000 0.984 79 F HN -0.084 nan 8.300 nan 0.000 0.472 80 S N -0.211 115.632 115.700 0.239 0.000 2.353 80 S HA -0.243 4.227 4.470 0.000 0.000 0.222 80 S C 2.116 176.745 174.600 0.048 0.000 1.035 80 S CA 1.705 59.983 58.200 0.129 0.000 1.025 80 S CB -0.308 63.000 63.200 0.180 0.000 0.902 80 S HN 0.249 nan 8.310 nan 0.000 0.440 81 K N 1.266 121.711 120.400 0.074 0.000 2.001 81 K HA -0.104 4.216 4.320 0.000 0.000 0.214 81 K C 2.141 178.777 176.600 0.060 0.000 1.050 81 K CA 1.958 58.298 56.287 0.089 0.000 0.934 81 K CB -0.541 32.027 32.500 0.114 0.000 0.718 81 K HN 0.556 nan 8.250 nan 0.000 0.443 82 E N -0.126 120.099 120.200 0.042 0.000 2.118 82 E HA -0.207 4.143 4.350 0.000 0.000 0.195 82 E C 1.752 178.297 176.600 -0.091 0.000 0.992 82 E CA 0.927 57.325 56.400 -0.003 0.000 0.804 82 E CB -0.082 29.632 29.700 0.024 0.000 0.741 82 E HN 0.081 nan 8.360 nan 0.000 0.458 83 L N 0.065 121.198 121.223 -0.151 0.000 2.131 83 L HA -0.118 4.222 4.340 0.000 0.000 0.210 83 L C 2.139 179.008 176.870 -0.003 0.000 1.092 83 L CA 1.080 55.841 54.840 -0.131 0.000 0.759 83 L CB -0.168 41.682 42.059 -0.348 0.000 0.903 83 L HN 0.101 nan 8.230 nan 0.000 0.435 84 V N -1.132 118.773 119.914 -0.014 0.000 2.446 84 V HA -0.104 4.016 4.120 0.000 0.000 0.244 84 V C 2.591 178.675 176.094 -0.018 0.000 1.039 84 V CA 1.196 63.501 62.300 0.008 0.000 1.045 84 V CB -0.768 31.065 31.823 0.016 0.000 0.681 84 V HN 0.480 nan 8.190 nan 0.000 0.459 85 A N -0.140 122.666 122.820 -0.023 0.000 1.933 85 A HA -0.198 4.122 4.320 0.000 0.000 0.218 85 A C 2.257 179.753 177.584 -0.146 0.000 1.175 85 A CA 1.826 53.842 52.037 -0.035 0.000 0.628 85 A CB -0.268 18.748 19.000 0.027 0.000 0.814 85 A HN 0.547 nan 8.150 nan 0.000 0.444 86 K N -2.250 117.971 120.400 -0.299 0.000 2.276 86 K HA 0.195 4.515 4.320 0.000 0.000 0.198 86 K C 0.334 176.462 176.600 -0.786 0.000 1.052 86 K CA 0.802 56.709 56.287 -0.634 0.000 0.984 86 K CB 0.149 32.052 32.500 -0.994 0.000 0.836 86 K HN 0.549 nan 8.250 nan 0.000 0.490 87 F N 0.454 120.367 119.950 -0.063 0.000 2.746 87 F HA 0.250 4.777 4.527 0.000 0.000 0.320 87 F C -0.009 175.765 175.800 -0.042 0.000 1.097 87 F CA -0.650 57.316 58.000 -0.055 0.000 1.195 87 F CB 0.352 39.305 39.000 -0.078 0.000 1.056 87 F HN -0.100 nan 8.300 nan 0.000 0.562 88 N N 1.424 120.172 118.700 0.080 0.000 2.693 88 N HA -0.201 4.540 4.740 0.000 0.000 0.249 88 N C -0.292 175.257 175.510 0.064 0.000 1.119 88 N CA 0.572 53.651 53.050 0.048 0.000 0.717 88 N CB -1.517 36.990 38.487 0.035 0.000 1.071 88 N HN 0.345 nan 8.380 nan 0.000 0.555 89 L N 0.741 122.017 121.223 0.089 0.000 2.426 89 L HA 0.103 4.443 4.340 0.000 0.000 0.271 89 L C 1.204 178.110 176.870 0.060 0.000 1.169 89 L CA -0.217 54.665 54.840 0.071 0.000 0.836 89 L CB 0.361 42.452 42.059 0.053 0.000 1.112 89 L HN 0.037 nan 8.230 nan 0.000 0.465 90 N N 2.627 121.364 118.700 0.062 0.000 2.663 90 N HA 0.201 4.941 4.740 0.000 0.000 0.250 90 N C -0.796 174.765 175.510 0.086 0.000 1.129 90 N CA -0.321 52.761 53.050 0.052 0.000 0.995 90 N CB 0.358 38.865 38.487 0.034 0.000 1.324 90 N HN 0.262 nan 8.380 nan 0.000 0.512 91 V N 3.063 123.040 119.914 0.105 0.000 2.834 91 V HA 0.292 4.412 4.120 0.000 0.000 0.301 91 V C 0.615 176.783 176.094 0.123 0.000 1.066 91 V CA -0.627 61.775 62.300 0.171 0.000 1.052 91 V CB 1.324 33.270 31.823 0.205 0.000 1.021 91 V HN 0.620 nan 8.190 nan 0.000 0.480 92 M N 3.352 123.033 119.600 0.135 0.000 2.167 92 M HA 0.455 4.935 4.480 0.000 0.000 0.333 92 M C -1.293 175.077 176.300 0.117 0.000 1.030 92 M CA -0.158 55.187 55.300 0.075 0.000 0.963 92 M CB 1.047 33.648 32.600 0.001 0.000 1.589 92 M HN 0.712 nan 8.290 nan 0.000 0.431 93 C N 4.907 124.281 119.300 0.124 0.000 2.273 93 C HA 0.890 5.350 4.460 0.000 0.000 0.328 93 C C 0.035 175.126 174.990 0.168 0.000 1.275 93 C CA -0.309 58.825 59.018 0.193 0.000 1.704 93 C CB -0.082 27.782 27.740 0.206 0.000 2.326 93 C HN 0.859 nan 8.230 nan 0.000 0.517 94 A N 3.235 126.126 122.820 0.119 0.000 2.414 94 A HA 0.634 4.954 4.320 0.000 0.000 0.306 94 A C -1.034 176.362 177.584 -0.314 0.000 1.054 94 A CA -0.353 51.705 52.037 0.033 0.000 0.724 94 A CB 1.001 19.925 19.000 -0.127 0.000 1.267 94 A HN 0.751 nan 8.150 nan 0.000 0.418 95 D N 2.548 122.767 120.400 -0.300 0.000 2.347 95 D HA 0.196 4.836 4.640 0.000 0.000 0.235 95 D C 1.188 177.356 176.300 -0.221 0.000 1.149 95 D CA -0.088 53.482 54.000 -0.717 0.000 0.850 95 D CB 1.266 41.903 40.800 -0.273 0.000 1.061 95 D HN 0.146 nan 8.370 nan 0.000 0.487 96 V N 4.197 123.918 119.914 -0.321 0.000 2.481 96 V HA -0.292 3.828 4.120 0.000 0.000 0.263 96 V C 2.137 178.283 176.094 0.086 0.000 1.108 96 V CA 2.602 64.797 62.300 -0.175 0.000 1.113 96 V CB -0.454 30.934 31.823 -0.724 0.000 0.684 96 V HN 0.764 nan 8.190 nan 0.000 0.467 97 E N -0.272 119.939 120.200 0.019 0.000 2.274 97 E HA -0.169 4.181 4.350 0.000 0.000 0.194 97 E C 1.273 177.907 176.600 0.058 0.000 0.996 97 E CA 1.080 57.519 56.400 0.065 0.000 0.840 97 E CB -0.090 29.626 29.700 0.025 0.000 0.772 97 E HN 0.689 nan 8.360 nan 0.000 0.491 98 N N -0.107 118.598 118.700 0.007 0.000 2.314 98 N HA 0.068 4.808 4.740 0.000 0.000 0.200 98 N C -1.056 174.111 175.510 -0.571 0.000 1.135 98 N CA 0.356 53.242 53.050 -0.273 0.000 0.835 98 N CB 0.244 38.471 38.487 -0.432 0.000 0.989 98 N HN 0.188 nan 8.380 nan 0.000 0.478 99 Y N -0.448 119.896 120.300 0.073 0.000 2.615 99 Y HA 0.300 4.850 4.550 0.000 0.000 0.341 99 Y C -0.595 175.293 175.900 -0.021 0.000 1.089 99 Y CA -1.265 56.784 58.100 -0.086 0.000 1.049 99 Y CB 1.424 39.658 38.460 -0.377 0.000 1.296 99 Y HN -0.165 nan 8.280 nan 0.000 0.470 100 D N 1.776 122.164 120.400 -0.020 0.000 2.392 100 D HA 0.227 4.867 4.640 0.000 0.000 0.228 100 D C -0.756 175.399 176.300 -0.242 0.000 1.074 100 D CA -0.147 53.850 54.000 -0.006 0.000 0.838 100 D CB 0.837 41.624 40.800 -0.021 0.000 1.067 100 D HN 0.336 nan 8.370 nan 0.000 0.511 101 F N 1.416 121.223 119.950 -0.238 0.000 2.949 101 F HA 0.134 4.661 4.527 0.000 0.000 0.291 101 F C 1.704 176.888 175.800 -1.027 0.000 1.214 101 F CA -0.202 57.466 58.000 -0.553 0.000 1.381 101 F CB 0.087 38.748 39.000 -0.564 0.000 1.066 101 F HN 0.167 nan 8.300 nan 0.000 0.520 102 E N -0.040 119.919 120.200 -0.401 0.000 2.122 102 E HA -0.085 4.265 4.350 0.000 0.000 0.190 102 E C 2.012 178.545 176.600 -0.112 0.000 0.977 102 E CA 1.085 57.365 56.400 -0.201 0.000 0.820 102 E CB -0.127 29.553 29.700 -0.033 0.000 0.770 102 E HN 0.236 nan 8.360 nan 0.000 0.462 103 S N 0.564 116.180 115.700 -0.139 0.000 2.710 103 S HA 0.138 4.608 4.470 0.000 0.000 0.224 103 S C 1.542 176.093 174.600 -0.083 0.000 0.948 103 S CA -0.206 57.945 58.200 -0.083 0.000 0.949 103 S CB -0.164 62.982 63.200 -0.089 0.000 0.778 103 S HN 0.142 nan 8.310 nan 0.000 0.498 104 L N 1.881 123.045 121.223 -0.098 0.000 2.083 104 L HA -0.072 4.268 4.340 0.000 0.000 0.209 104 L C 2.178 179.087 176.870 0.065 0.000 1.083 104 L CA 1.386 56.223 54.840 -0.006 0.000 0.752 104 L CB -0.519 41.582 42.059 0.070 0.000 0.899 104 L HN 0.541 nan 8.230 nan 0.000 0.433 105 N N -0.496 118.261 118.700 0.094 0.000 2.515 105 N HA -0.116 4.624 4.740 0.000 0.000 0.191 105 N C 0.146 175.685 175.510 0.048 0.000 1.182 105 N CA 0.184 53.288 53.050 0.090 0.000 0.879 105 N CB 0.268 38.819 38.487 0.108 0.000 0.984 105 N HN 0.364 nan 8.380 nan 0.000 0.453 106 D N 0.089 120.502 120.400 0.022 0.000 2.433 106 D HA 0.077 4.717 4.640 0.000 0.000 0.211 106 D C -0.125 176.171 176.300 -0.006 0.000 1.114 106 D CA 0.047 54.050 54.000 0.006 0.000 0.837 106 D CB 0.961 41.757 40.800 -0.007 0.000 0.984 106 D HN -0.054 nan 8.370 nan 0.000 0.505 107 V N 4.312 124.223 119.914 -0.005 0.000 2.421 107 V HA 0.045 4.165 4.120 0.000 0.000 0.271 107 V C -0.919 175.174 176.094 -0.003 0.000 1.031 107 V CA -0.564 61.726 62.300 -0.017 0.000 1.032 107 V CB 1.144 32.957 31.823 -0.017 0.000 1.009 107 V HN 0.044 nan 8.190 nan 0.000 0.477 108 P HA 0.010 nan 4.420 nan 0.000 0.242 108 P C 0.159 177.461 177.300 0.003 0.000 1.197 108 P CA 0.621 63.721 63.100 0.001 0.000 0.765 108 P CB 0.240 31.938 31.700 -0.003 0.000 0.936 109 V N -3.188 116.722 119.914 -0.008 0.000 2.994 109 V HA 0.483 4.603 4.120 0.000 0.000 0.318 109 V C 0.320 176.387 176.094 -0.045 0.000 1.085 109 V CA -1.667 60.626 62.300 -0.013 0.000 0.998 109 V CB 1.747 33.557 31.823 -0.022 0.000 1.063 109 V HN -0.251 nan 8.190 nan 0.000 0.447 110 I N 1.698 122.234 120.570 -0.056 0.000 2.696 110 I HA 0.335 4.505 4.170 0.000 0.000 0.284 110 I C -0.322 175.552 176.117 -0.405 0.000 1.129 110 I CA -0.023 61.225 61.300 -0.086 0.000 1.410 110 I CB 1.511 39.581 38.000 0.117 0.000 1.399 110 I HN 0.465 nan 8.210 nan 0.000 0.579 111 V N 4.654 124.467 119.914 -0.168 0.000 2.604 111 V HA 0.340 4.460 4.120 0.000 0.000 0.305 111 V C -0.255 175.902 176.094 0.106 0.000 1.043 111 V CA -0.544 61.678 62.300 -0.130 0.000 0.888 111 V CB 1.885 33.747 31.823 0.065 0.000 0.995 111 V HN 0.712 nan 8.190 nan 0.000 0.429 112 S N 4.708 120.527 115.700 0.198 0.000 2.449 112 S HA 0.703 5.173 4.470 0.000 0.000 0.310 112 S C -0.501 174.275 174.600 0.293 0.000 1.096 112 S CA -0.369 58.046 58.200 0.358 0.000 1.095 112 S CB 1.003 64.581 63.200 0.631 0.000 1.007 112 S HN 0.528 nan 8.310 nan 0.000 0.474 113 I N 3.427 124.087 120.570 0.150 0.000 2.389 113 I HA 0.400 4.570 4.170 0.000 0.000 0.288 113 I C -1.344 174.723 176.117 -0.083 0.000 0.999 113 I CA -0.487 60.888 61.300 0.126 0.000 1.129 113 I CB 1.122 39.212 38.000 0.150 0.000 1.288 113 I HN 0.487 nan 8.210 nan 0.000 0.444 114 F N 7.368 127.366 119.950 0.079 0.000 2.347 114 F HA 0.530 5.057 4.527 0.000 0.000 0.366 114 F C 0.015 175.829 175.800 0.023 0.000 1.107 114 F CA -0.510 57.533 58.000 0.071 0.000 1.058 114 F CB 1.234 40.322 39.000 0.145 0.000 1.236 114 F HN 0.268 nan 8.300 nan 0.000 0.456 115 I N 2.008 122.602 120.570 0.041 0.000 2.569 115 I HA 0.573 4.743 4.170 0.000 0.000 0.296 115 I C -0.627 175.434 176.117 -0.093 0.000 1.028 115 I CA -0.120 61.136 61.300 -0.074 0.000 1.082 115 I CB 1.506 39.348 38.000 -0.262 0.000 1.264 115 I HN 0.409 nan 8.210 nan 0.000 0.429 116 S N 3.336 119.016 115.700 -0.034 0.000 2.690 116 S HA 0.568 5.038 4.470 0.000 0.000 0.291 116 S C -0.617 173.995 174.600 0.020 0.000 1.138 116 S CA -0.511 57.710 58.200 0.035 0.000 1.013 116 S CB 1.847 65.194 63.200 0.244 0.000 1.053 116 S HN 0.657 nan 8.310 nan 0.000 0.539 117 T N 2.160 116.707 114.554 -0.011 0.000 2.792 117 T HA 0.630 4.981 4.350 0.000 0.000 0.280 117 T C -1.455 173.193 174.700 -0.087 0.000 0.990 117 T CA -0.158 61.919 62.100 -0.037 0.000 0.960 117 T CB 0.326 69.099 68.868 -0.159 0.000 0.939 117 T HN 0.442 nan 8.240 nan 0.000 0.439 118 Y N 0.475 120.726 120.300 -0.082 0.000 2.669 118 Y HA 0.626 5.176 4.550 0.000 0.000 0.335 118 Y C 1.234 177.103 175.900 -0.052 0.000 1.116 118 Y CA -0.008 58.039 58.100 -0.089 0.000 1.081 118 Y CB 1.198 39.632 38.460 -0.043 0.000 1.297 118 Y HN 0.883 nan 8.280 nan 0.000 0.484 119 G N 0.692 109.566 108.800 0.123 0.000 2.672 119 G HA2 -0.342 3.618 3.960 0.000 0.000 0.324 119 G HA3 -0.342 3.618 3.960 0.000 0.000 0.324 119 G C 0.724 175.595 174.900 -0.048 0.000 1.286 119 G CA 0.884 46.024 45.100 0.067 0.000 1.004 119 G HN 0.771 nan 8.290 nan 0.000 0.548 120 E N 0.490 120.634 120.200 -0.093 0.000 4.505 120 E HA 0.347 4.697 4.350 0.000 0.000 0.553 120 E C 1.826 178.393 176.600 -0.056 0.000 1.022 120 E CA 0.144 56.365 56.400 -0.298 0.000 3.619 120 E CB -0.346 29.196 29.700 -0.262 0.000 2.034 120 E HN 0.815 nan 8.360 nan 0.000 0.479 121 G N 1.273 110.183 108.800 0.183 0.000 3.530 121 G HA2 0.092 4.052 3.960 0.000 0.000 0.269 121 G HA3 0.092 4.052 3.960 0.000 0.000 0.269 121 G C -1.020 174.030 174.900 0.250 0.000 1.314 121 G CA -0.007 45.279 45.100 0.309 0.000 1.441 121 G HN 0.376 nan 8.290 nan 0.000 0.595 122 D N -0.484 120.049 120.400 0.222 0.000 2.272 122 D HA 0.552 5.192 4.640 0.000 0.000 0.247 122 D C -0.025 176.527 176.300 0.419 0.000 0.990 122 D CA -1.032 53.174 54.000 0.343 0.000 0.931 122 D CB 0.902 41.829 40.800 0.212 0.000 1.195 122 D HN -0.090 nan 8.370 nan 0.000 0.477 123 F N -0.358 119.645 119.950 0.089 0.000 2.535 123 F HA 0.251 4.778 4.527 0.000 0.000 0.332 123 F C -1.683 174.150 175.800 0.054 0.000 1.208 123 F CA -2.087 55.968 58.000 0.091 0.000 1.330 123 F CB -0.786 38.276 39.000 0.103 0.000 1.167 123 F HN 0.129 nan 8.300 nan 0.000 0.597 124 P HA 0.085 nan 4.420 nan 0.000 0.271 124 P C -1.170 176.123 177.300 -0.012 0.000 1.216 124 P CA -0.229 62.819 63.100 -0.087 0.000 0.776 124 P CB 0.379 31.975 31.700 -0.174 0.000 0.881 125 D N 1.537 121.892 120.400 -0.076 0.000 2.525 125 D HA 0.306 4.946 4.640 0.000 0.000 0.235 125 D C 1.424 177.729 176.300 0.008 0.000 1.137 125 D CA 1.578 55.574 54.000 -0.008 0.000 0.868 125 D CB -0.260 40.531 40.800 -0.014 0.000 1.180 125 D HN 0.661 nan 8.370 nan 0.000 0.465 126 G N 1.185 110.009 108.800 0.041 0.000 2.132 126 G HA2 -0.081 3.879 3.960 0.000 0.000 0.234 126 G HA3 -0.081 3.879 3.960 0.000 0.000 0.234 126 G C 0.547 175.486 174.900 0.066 0.000 0.989 126 G CA 0.184 45.313 45.100 0.048 0.000 0.676 126 G HN 0.861 nan 8.290 nan 0.000 0.522 127 A N -1.150 121.730 122.820 0.100 0.000 2.674 127 A HA 0.651 4.971 4.320 0.000 0.000 0.274 127 A C 1.719 179.428 177.584 0.209 0.000 1.065 127 A CA 1.250 53.386 52.037 0.166 0.000 0.978 127 A CB 0.274 19.389 19.000 0.190 0.000 1.242 127 A HN 0.939 nan 8.150 nan 0.000 0.583 128 V N 0.948 120.925 119.914 0.105 0.000 2.548 128 V HA -0.199 3.921 4.120 0.000 0.000 0.249 128 V C 2.245 178.338 176.094 -0.001 0.000 1.055 128 V CA 1.924 64.231 62.300 0.013 0.000 1.065 128 V CB -0.811 31.016 31.823 0.006 0.000 0.681 128 V HN 0.588 nan 8.190 nan 0.000 0.462 129 N N 0.445 119.186 118.700 0.068 0.000 2.043 129 N HA -0.214 4.526 4.740 0.000 0.000 0.193 129 N C 1.855 177.426 175.510 0.102 0.000 1.037 129 N CA 1.931 55.034 53.050 0.087 0.000 0.851 129 N CB -0.504 38.062 38.487 0.131 0.000 1.027 129 N HN 0.509 nan 8.380 nan 0.000 0.422 130 F N 2.378 122.306 119.950 -0.036 0.000 2.095 130 F HA -0.189 4.338 4.527 0.000 0.000 0.298 130 F C 2.592 178.338 175.800 -0.090 0.000 1.104 130 F CA 1.674 59.598 58.000 -0.128 0.000 1.232 130 F CB -0.444 38.418 39.000 -0.230 0.000 0.987 130 F HN 0.117 nan 8.300 nan 0.000 0.475 131 E N -0.213 119.865 120.200 -0.204 0.000 2.130 131 E HA -0.263 4.087 4.350 0.000 0.000 0.196 131 E C 1.702 177.985 176.600 -0.529 0.000 0.998 131 E CA 1.828 57.777 56.400 -0.751 0.000 0.806 131 E CB -0.255 28.814 29.700 -1.052 0.000 0.738 131 E HN 0.469 nan 8.360 nan 0.000 0.459 132 D N -0.177 120.043 120.400 -0.298 0.000 2.162 132 D HA -0.120 4.520 4.640 0.000 0.000 0.203 132 D C 1.675 177.850 176.300 -0.209 0.000 0.967 132 D CA 0.559 54.421 54.000 -0.230 0.000 0.840 132 D CB -0.427 40.299 40.800 -0.123 0.000 0.972 132 D HN 0.248 nan 8.370 nan 0.000 0.482 133 F N 1.680 121.481 119.950 -0.249 0.000 2.161 133 F HA -0.137 4.390 4.527 0.000 0.000 0.300 133 F C 2.018 177.664 175.800 -0.256 0.000 1.089 133 F CA 1.053 58.934 58.000 -0.199 0.000 1.282 133 F CB -0.224 38.689 39.000 -0.146 0.000 1.010 133 F HN -0.149 nan 8.300 nan 0.000 0.485 134 I N -0.751 119.480 120.570 -0.565 0.000 2.193 134 I HA -0.274 3.896 4.170 0.000 0.000 0.240 134 I C 2.592 178.413 176.117 -0.494 0.000 1.084 134 I CA 1.277 62.247 61.300 -0.551 0.000 1.365 134 I CB -0.578 37.167 38.000 -0.423 0.000 1.064 134 I HN 0.328 nan 8.210 nan 0.000 0.410 135 C N 1.729 120.709 119.300 -0.532 0.000 2.485 135 C HA -0.013 4.447 4.460 0.000 0.000 0.283 135 C C 1.962 176.660 174.990 -0.488 0.000 1.478 135 C CA 0.937 59.532 59.018 -0.705 0.000 1.741 135 C CB -1.677 25.704 27.740 -0.599 0.000 1.675 135 C HN 0.496 nan 8.230 nan 0.000 0.573 136 N N 0.355 118.802 118.700 -0.421 0.000 2.239 136 N HA 0.213 4.953 4.740 0.000 0.000 0.208 136 N C 0.460 175.767 175.510 -0.339 0.000 1.200 136 N CA 0.549 53.408 53.050 -0.319 0.000 0.895 136 N CB -0.046 38.297 38.487 -0.240 0.000 1.085 136 N HN 0.454 nan 8.380 nan 0.000 0.500 137 A N 1.921 124.440 122.820 -0.502 0.000 2.566 137 A HA 0.036 4.356 4.320 0.000 0.000 0.245 137 A C 0.583 178.011 177.584 -0.260 0.000 1.056 137 A CA 0.227 51.973 52.037 -0.485 0.000 0.757 137 A CB 0.004 18.616 19.000 -0.646 0.000 0.979 137 A HN 0.226 nan 8.150 nan 0.000 0.508 138 E N 1.282 121.377 120.200 -0.175 0.000 2.421 138 E HA 0.428 4.778 4.350 0.000 0.000 0.253 138 E C 0.635 177.188 176.600 -0.079 0.000 1.277 138 E CA -0.095 56.241 56.400 -0.106 0.000 0.968 138 E CB 0.385 30.042 29.700 -0.072 0.000 1.040 138 E HN 0.829 nan 8.360 nan 0.000 0.512 139 A N 0.200 122.991 122.820 -0.049 0.000 2.445 139 A HA 0.400 4.720 4.320 0.000 0.000 0.242 139 A C 1.203 178.775 177.584 -0.019 0.000 1.075 139 A CA 0.351 52.371 52.037 -0.029 0.000 0.777 139 A CB -0.596 18.393 19.000 -0.018 0.000 1.013 139 A HN 0.811 nan 8.150 nan 0.000 0.493 140 G N 0.158 108.954 108.800 -0.007 0.000 2.200 140 G HA2 -0.084 3.877 3.960 0.000 0.000 0.267 140 G HA3 -0.084 3.877 3.960 0.000 0.000 0.267 140 G C 0.996 175.901 174.900 0.008 0.000 0.993 140 G CA 1.192 46.295 45.100 0.005 0.000 0.701 140 G HN 1.987 nan 8.290 nan 0.000 0.524 141 A N -0.904 121.912 122.820 -0.008 0.000 2.119 141 A HA 0.565 4.886 4.320 0.000 0.000 0.216 141 A C 1.579 179.190 177.584 0.046 0.000 1.152 141 A CA 1.322 53.361 52.037 0.004 0.000 0.708 141 A CB 0.071 19.043 19.000 -0.047 0.000 0.805 141 A HN 0.868 nan 8.150 nan 0.000 0.460 142 L N 0.256 121.503 121.223 0.041 0.000 3.193 142 L HA 0.125 4.465 4.340 0.000 0.000 0.305 142 L C 1.379 178.291 176.870 0.071 0.000 1.299 142 L CA 0.333 55.220 54.840 0.077 0.000 0.904 142 L CB 0.655 42.760 42.059 0.078 0.000 1.331 142 L HN 0.352 nan 8.230 nan 0.000 0.588 143 S N -2.040 113.695 115.700 0.057 0.000 2.515 143 S HA -0.034 4.436 4.470 0.000 0.000 0.231 143 S C 1.256 175.893 174.600 0.060 0.000 0.987 143 S CA 0.537 58.770 58.200 0.054 0.000 0.936 143 S CB -0.091 63.132 63.200 0.039 0.000 0.766 143 S HN 0.517 nan 8.310 nan 0.000 0.528 144 N N 0.782 119.521 118.700 0.065 0.000 2.356 144 N HA 0.178 4.918 4.740 0.000 0.000 0.178 144 N C 0.107 175.665 175.510 0.079 0.000 1.075 144 N CA -0.006 53.081 53.050 0.061 0.000 0.889 144 N CB -0.128 38.390 38.487 0.051 0.000 0.999 144 N HN 0.369 nan 8.380 nan 0.000 0.464 145 L N 2.419 123.703 121.223 0.102 0.000 2.410 145 L HA 0.124 4.464 4.340 0.000 0.000 0.273 145 L C -0.140 176.843 176.870 0.188 0.000 1.144 145 L CA 0.239 55.160 54.840 0.136 0.000 0.863 145 L CB 0.112 42.255 42.059 0.140 0.000 1.140 145 L HN -0.077 nan 8.230 nan 0.000 0.463 146 R N 5.555 126.165 120.500 0.183 0.000 2.437 146 R HA 0.590 4.930 4.340 0.000 0.000 0.310 146 R C -1.446 175.009 176.300 0.258 0.000 0.955 146 R CA -0.536 55.675 56.100 0.185 0.000 0.851 146 R CB 1.567 31.930 30.300 0.104 0.000 1.161 146 R HN 0.696 nan 8.270 nan 0.000 0.446 147 Y N -0.061 120.287 120.300 0.080 0.000 2.670 147 Y HA 0.588 5.138 4.550 0.000 0.000 0.334 147 Y C -1.745 174.229 175.900 0.124 0.000 1.185 147 Y CA -1.758 56.402 58.100 0.099 0.000 1.053 147 Y CB 1.333 39.855 38.460 0.102 0.000 1.298 147 Y HN 0.670 nan 8.280 nan 0.000 0.459 148 N N 1.794 120.518 118.700 0.041 0.000 2.284 148 N HA 0.663 5.403 4.740 0.000 0.000 0.289 148 N C -1.682 173.969 175.510 0.236 0.000 1.179 148 N CA -0.999 52.072 53.050 0.034 0.000 0.774 148 N CB 2.921 41.515 38.487 0.178 0.000 1.548 148 N HN 1.066 nan 8.380 nan 0.000 0.473 149 M N 1.414 121.130 119.600 0.192 0.000 2.433 149 M HA 0.556 5.036 4.480 0.000 0.000 0.290 149 M C -2.055 173.994 176.300 -0.418 0.000 1.173 149 M CA -0.887 54.392 55.300 -0.034 0.000 0.905 149 M CB 1.956 34.633 32.600 0.129 0.000 1.692 149 M HN 0.728 nan 8.290 nan 0.000 0.462 150 F N 3.028 122.369 119.950 -1.015 0.000 2.445 150 F HA 0.753 5.280 4.527 0.000 0.000 0.348 150 F C -0.276 175.140 175.800 -0.641 0.000 1.125 150 F CA -0.397 56.834 58.000 -1.282 0.000 0.983 150 F CB 1.521 39.409 39.000 -1.854 0.000 1.198 150 F HN 0.596 nan 8.300 nan 0.000 0.436 151 G N 6.527 114.758 108.800 -0.947 0.000 2.335 151 G HA2 0.560 4.521 3.960 0.000 0.000 0.316 151 G HA3 0.560 4.521 3.960 0.000 0.000 0.316 151 G C -1.641 172.836 174.900 -0.705 0.000 1.129 151 G CA -0.582 44.131 45.100 -0.645 0.000 0.899 151 G HN 0.516 nan 8.290 nan 0.000 0.448 152 L N 2.308 123.301 121.223 -0.384 0.000 2.282 152 L HA 0.774 5.114 4.340 0.000 0.000 0.288 152 L C 0.844 177.593 176.870 -0.201 0.000 1.033 152 L CA 0.279 54.973 54.840 -0.244 0.000 0.807 152 L CB 1.600 43.649 42.059 -0.017 0.000 1.209 152 L HN 0.744 nan 8.230 nan 0.000 0.423 153 G N 1.631 110.341 108.800 -0.151 0.000 2.846 153 G HA2 0.417 4.377 3.960 0.000 0.000 0.299 153 G HA3 0.417 4.377 3.960 0.000 0.000 0.299 153 G C -1.668 173.343 174.900 0.185 0.000 1.242 153 G CA -0.364 44.689 45.100 -0.079 0.000 0.800 153 G HN 0.396 nan 8.290 nan 0.000 0.538 154 N N -0.469 118.469 118.700 0.396 0.000 2.616 154 N HA 0.127 4.867 4.740 0.000 0.000 0.281 154 N C 0.826 176.511 175.510 0.292 0.000 1.145 154 N CA 0.261 53.507 53.050 0.327 0.000 0.919 154 N CB 1.770 40.424 38.487 0.278 0.000 1.509 154 N HN 0.514 nan 8.380 nan 0.000 0.537 155 S N 1.107 116.550 115.700 -0.428 0.000 2.584 155 S HA -0.081 4.389 4.470 0.000 0.000 0.240 155 S C 1.240 175.728 174.600 -0.187 0.000 0.975 155 S CA 0.969 58.730 58.200 -0.733 0.000 0.949 155 S CB -0.238 62.321 63.200 -1.069 0.000 0.761 155 S HN 0.514 nan 8.310 nan 0.000 0.536 156 T N 0.839 115.382 114.554 -0.018 0.000 3.067 156 T HA 0.199 4.549 4.350 0.000 0.000 0.261 156 T C -0.340 174.302 174.700 -0.098 0.000 1.110 156 T CA 0.478 62.524 62.100 -0.090 0.000 1.113 156 T CB -0.178 68.589 68.868 -0.169 0.000 0.917 156 T HN 0.522 nan 8.240 nan 0.000 0.499 157 Y N 1.635 121.938 120.300 0.006 0.000 2.457 157 Y HA 0.456 5.006 4.550 0.000 0.000 0.333 157 Y C 0.608 176.585 175.900 0.128 0.000 1.119 157 Y CA -1.747 56.382 58.100 0.048 0.000 1.143 157 Y CB 0.721 39.209 38.460 0.047 0.000 1.230 157 Y HN -0.016 nan 8.280 nan 0.000 0.469 158 E N 1.583 121.983 120.200 0.334 0.000 2.366 158 E HA 0.226 4.576 4.350 0.000 0.000 0.266 158 E C -1.243 175.779 176.600 0.704 0.000 1.051 158 E CA -0.224 56.437 56.400 0.433 0.000 0.884 158 E CB 0.337 30.314 29.700 0.462 0.000 1.006 158 E HN 0.567 nan 8.360 nan 0.000 0.417 159 F N 0.343 120.351 119.950 0.097 0.000 2.969 159 F HA -0.192 4.335 4.527 0.000 0.000 0.326 159 F C -0.118 175.725 175.800 0.073 0.000 0.933 159 F CA -0.063 57.972 58.000 0.058 0.000 1.229 159 F CB -2.367 36.652 39.000 0.032 0.000 1.320 159 F HN 0.481 nan 8.300 nan 0.000 0.657 160 F N 3.165 123.174 119.950 0.099 0.000 2.519 160 F HA 0.259 4.786 4.527 0.000 0.000 0.375 160 F C 1.408 177.190 175.800 -0.030 0.000 1.084 160 F CA 0.737 58.755 58.000 0.030 0.000 1.147 160 F CB 0.042 39.052 39.000 0.017 0.000 1.088 160 F HN 0.379 nan 8.300 nan 0.000 0.555 161 N N 3.513 121.877 118.700 -0.560 0.000 2.782 161 N HA -0.191 4.549 4.740 0.000 0.000 0.251 161 N C 1.276 176.573 175.510 -0.354 0.000 1.101 161 N CA 0.520 53.188 53.050 -0.636 0.000 0.764 161 N CB -0.908 36.914 38.487 -1.109 0.000 1.122 161 N HN 0.951 nan 8.380 nan 0.000 0.561 162 G N -0.009 108.694 108.800 -0.161 0.000 2.448 162 G HA2 -0.054 3.907 3.960 0.000 0.000 0.219 162 G HA3 -0.054 3.907 3.960 0.000 0.000 0.219 162 G C 1.541 176.423 174.900 -0.030 0.000 1.127 162 G CA 1.396 46.466 45.100 -0.051 0.000 0.766 162 G HN 0.556 nan 8.290 nan 0.000 0.552 163 A N 1.384 124.162 122.820 -0.069 0.000 1.858 163 A HA 0.238 4.558 4.320 0.000 0.000 0.216 163 A C 2.866 180.285 177.584 -0.274 0.000 1.190 163 A CA 2.363 54.318 52.037 -0.136 0.000 0.617 163 A CB -0.993 17.819 19.000 -0.314 0.000 0.827 163 A HN 0.821 nan 8.150 nan 0.000 0.443 164 A N -0.190 122.447 122.820 -0.304 0.000 1.908 164 A HA -0.209 4.111 4.320 0.000 0.000 0.218 164 A C 2.114 179.598 177.584 -0.166 0.000 1.181 164 A CA 1.990 53.867 52.037 -0.266 0.000 0.627 164 A CB -0.481 18.333 19.000 -0.310 0.000 0.818 164 A HN 0.586 nan 8.150 nan 0.000 0.445 165 K N -0.175 120.126 120.400 -0.165 0.000 2.026 165 K HA -0.136 4.184 4.320 0.000 0.000 0.208 165 K C 2.114 178.642 176.600 -0.119 0.000 1.048 165 K CA 1.625 57.833 56.287 -0.132 0.000 0.929 165 K CB -0.215 32.200 32.500 -0.141 0.000 0.713 165 K HN 0.425 nan 8.250 nan 0.000 0.439 166 K N 0.682 121.042 120.400 -0.067 0.000 2.032 166 K HA -0.138 4.182 4.320 0.000 0.000 0.209 166 K C 2.291 178.779 176.600 -0.185 0.000 1.048 166 K CA 1.411 57.629 56.287 -0.117 0.000 0.927 166 K CB -0.244 32.375 32.500 0.199 0.000 0.712 166 K HN 0.144 nan 8.250 nan 0.000 0.441 167 A N 1.530 124.419 122.820 0.116 0.000 1.972 167 A HA -0.201 4.119 4.320 0.000 0.000 0.219 167 A C 2.081 179.671 177.584 0.010 0.000 1.169 167 A CA 1.432 53.582 52.037 0.188 0.000 0.635 167 A CB -0.280 18.833 19.000 0.187 0.000 0.810 167 A HN 0.252 nan 8.150 nan 0.000 0.446 168 E N -0.004 120.182 120.200 -0.023 0.000 2.216 168 E HA -0.130 4.220 4.350 0.000 0.000 0.192 168 E C 1.950 178.541 176.600 -0.015 0.000 0.988 168 E CA 1.061 57.487 56.400 0.043 0.000 0.834 168 E CB -0.121 29.608 29.700 0.050 0.000 0.772 168 E HN 0.701 nan 8.360 nan 0.000 0.479 169 K N -0.387 119.919 120.400 -0.155 0.000 2.116 169 K HA -0.112 4.208 4.320 0.000 0.000 0.203 169 K C 1.884 178.390 176.600 -0.157 0.000 1.052 169 K CA 0.875 57.045 56.287 -0.195 0.000 0.952 169 K CB -0.006 32.305 32.500 -0.315 0.000 0.729 169 K HN 0.166 nan 8.250 nan 0.000 0.446 170 H N 0.561 119.615 119.070 -0.027 0.000 2.448 170 H HA -0.001 4.555 4.556 0.000 0.000 0.292 170 H C 2.169 177.440 175.328 -0.094 0.000 1.035 170 H CA 0.804 56.807 56.048 -0.075 0.000 1.349 170 H CB -0.081 29.613 29.762 -0.114 0.000 1.425 170 H HN 0.155 nan 8.280 nan 0.000 0.539 171 L N 0.918 122.146 121.223 0.008 0.000 2.056 171 L HA -0.151 4.189 4.340 0.000 0.000 0.207 171 L C 2.641 179.525 176.870 0.023 0.000 1.078 171 L CA 1.518 56.320 54.840 -0.064 0.000 0.749 171 L CB -0.390 41.516 42.059 -0.255 0.000 0.901 171 L HN 0.287 nan 8.230 nan 0.000 0.433 172 S N -0.176 115.567 115.700 0.071 0.000 2.428 172 S HA -0.080 4.390 4.470 0.000 0.000 0.230 172 S C 2.120 176.748 174.600 0.047 0.000 1.014 172 S CA 0.658 58.913 58.200 0.090 0.000 0.957 172 S CB -0.281 62.969 63.200 0.082 0.000 0.784 172 S HN 0.324 nan 8.310 nan 0.000 0.499 173 A N 1.869 124.708 122.820 0.031 0.000 1.930 173 A HA 0.420 4.740 4.320 0.000 0.000 0.217 173 A C 2.263 179.847 177.584 0.001 0.000 1.175 173 A CA 1.363 53.412 52.037 0.019 0.000 0.627 173 A CB -1.169 17.852 19.000 0.036 0.000 0.815 173 A HN 0.950 nan 8.150 nan 0.000 0.443 174 A N -1.504 121.308 122.820 -0.013 0.000 2.302 174 A HA 0.435 4.755 4.320 0.000 0.000 0.219 174 A C 1.569 179.156 177.584 0.006 0.000 1.243 174 A CA 0.998 53.017 52.037 -0.029 0.000 0.856 174 A CB -1.182 17.771 19.000 -0.078 0.000 0.893 174 A HN 1.883 nan 8.150 nan 0.000 0.491 175 G N -1.872 106.944 108.800 0.027 0.000 2.136 175 G HA2 0.082 4.042 3.960 0.000 0.000 0.242 175 G HA3 0.082 4.042 3.960 0.000 0.000 0.242 175 G C 0.342 175.287 174.900 0.075 0.000 0.989 175 G CA 0.282 45.409 45.100 0.045 0.000 0.682 175 G HN 1.615 nan 8.290 nan 0.000 0.522 176 A N -0.196 122.685 122.820 0.102 0.000 2.363 176 A HA 0.755 5.075 4.320 0.000 0.000 0.270 176 A C 0.496 178.223 177.584 0.239 0.000 1.121 176 A CA -0.315 51.828 52.037 0.177 0.000 0.800 176 A CB 0.490 19.590 19.000 0.168 0.000 1.052 176 A HN 0.713 nan 8.150 nan 0.000 0.493 177 I N 2.102 122.797 120.570 0.208 0.000 2.365 177 I HA 0.287 4.457 4.170 0.000 0.000 0.291 177 I C 0.870 177.007 176.117 0.034 0.000 1.004 177 I CA -0.131 61.240 61.300 0.119 0.000 1.311 177 I CB 1.048 39.090 38.000 0.069 0.000 1.401 177 I HN 0.678 nan 8.210 nan 0.000 0.491 178 R N 7.401 127.824 120.500 -0.128 0.000 2.246 178 R HA 0.464 4.804 4.340 0.000 0.000 0.332 178 R C -1.112 175.016 176.300 -0.288 0.000 0.974 178 R CA -0.689 55.105 56.100 -0.509 0.000 0.837 178 R CB 0.648 30.662 30.300 -0.477 0.000 1.145 178 R HN 0.622 nan 8.270 nan 0.000 0.467 179 L N 4.551 125.617 121.223 -0.263 0.000 2.416 179 L HA 0.299 4.639 4.340 0.000 0.000 0.272 179 L C 1.157 177.964 176.870 -0.105 0.000 1.161 179 L CA 0.637 55.405 54.840 -0.120 0.000 0.845 179 L CB 0.826 42.854 42.059 -0.052 0.000 1.119 179 L HN 0.985 nan 8.230 nan 0.000 0.464 180 G N 3.157 111.910 108.800 -0.078 0.000 2.806 180 G HA2 -0.254 3.706 3.960 0.000 0.000 0.236 180 G HA3 -0.254 3.706 3.960 0.000 0.000 0.236 180 G C -0.423 174.464 174.900 -0.021 0.000 1.387 180 G CA -0.561 44.497 45.100 -0.071 0.000 0.884 180 G HN 0.631 nan 8.290 nan 0.000 0.560 181 K N -0.713 119.700 120.400 0.021 0.000 2.202 181 K HA 0.460 4.780 4.320 0.000 0.000 0.264 181 K C 0.420 177.156 176.600 0.226 0.000 1.010 181 K CA -0.685 55.658 56.287 0.093 0.000 0.940 181 K CB 1.197 33.755 32.500 0.097 0.000 0.983 181 K HN 0.563 nan 8.250 nan 0.000 0.475 182 L N 2.107 123.401 121.223 0.117 0.000 2.385 182 L HA 0.199 4.540 4.340 0.000 0.000 0.281 182 L C 0.210 177.076 176.870 -0.006 0.000 1.106 182 L CA 0.387 55.258 54.840 0.053 0.000 0.856 182 L CB 0.104 42.143 42.059 -0.034 0.000 1.186 182 L HN 0.666 nan 8.230 nan 0.000 0.453 183 G N 4.300 112.997 108.800 -0.172 0.000 2.544 183 G HA2 0.340 4.300 3.960 0.000 0.000 0.242 183 G HA3 0.340 4.300 3.960 0.000 0.000 0.242 183 G C -0.686 173.842 174.900 -0.620 0.000 1.247 183 G CA -0.405 44.442 45.100 -0.422 0.000 0.840 183 G HN 0.750 nan 8.290 nan 0.000 0.578 184 E N 0.376 120.275 120.200 -0.501 0.000 2.528 184 E HA 0.391 4.741 4.350 0.000 0.000 0.277 184 E C -0.424 175.985 176.600 -0.318 0.000 0.980 184 E CA -0.594 55.517 56.400 -0.481 0.000 0.796 184 E CB 1.607 31.144 29.700 -0.271 0.000 1.427 184 E HN 0.632 nan 8.360 nan 0.000 0.394 185 A N 2.698 125.219 122.820 -0.499 0.000 2.404 185 A HA 0.201 4.521 4.320 0.000 0.000 0.273 185 A C -0.223 177.391 177.584 0.049 0.000 1.144 185 A CA -0.226 51.715 52.037 -0.159 0.000 0.806 185 A CB 0.310 19.223 19.000 -0.146 0.000 1.080 185 A HN 0.472 nan 8.150 nan 0.000 0.509 186 D N 2.119 122.605 120.400 0.143 0.000 2.467 186 D HA 0.236 4.877 4.640 0.000 0.000 0.220 186 D C 0.516 176.873 176.300 0.095 0.000 1.103 186 D CA -0.190 53.922 54.000 0.186 0.000 0.886 186 D CB 0.951 41.786 40.800 0.059 0.000 1.025 186 D HN 0.550 nan 8.370 nan 0.000 0.514 187 D N 1.892 122.361 120.400 0.115 0.000 2.218 187 D HA -0.060 4.580 4.640 0.000 0.000 0.204 187 D C 2.078 178.419 176.300 0.068 0.000 0.976 187 D CA 1.344 55.400 54.000 0.093 0.000 0.853 187 D CB 0.206 41.065 40.800 0.098 0.000 0.939 187 D HN 0.588 nan 8.370 nan 0.000 0.481 188 G N -0.004 108.820 108.800 0.039 0.000 2.422 188 G HA2 -0.158 3.802 3.960 0.000 0.000 0.218 188 G HA3 -0.158 3.802 3.960 0.000 0.000 0.218 188 G C 1.377 176.262 174.900 -0.026 0.000 1.146 188 G CA 0.698 45.794 45.100 -0.007 0.000 0.769 188 G HN 0.342 nan 8.290 nan 0.000 0.547 189 A N -0.073 122.728 122.820 -0.032 0.000 2.307 189 A HA 0.502 4.822 4.320 0.000 0.000 0.218 189 A C 1.843 179.434 177.584 0.011 0.000 1.228 189 A CA 1.033 53.057 52.037 -0.022 0.000 0.857 189 A CB -0.535 18.444 19.000 -0.035 0.000 0.897 189 A HN 1.513 nan 8.150 nan 0.000 0.495 190 G N 0.221 109.040 108.800 0.030 0.000 2.341 190 G HA2 -0.301 3.659 3.960 0.000 0.000 0.292 190 G HA3 -0.301 3.659 3.960 0.000 0.000 0.292 190 G C 0.673 175.608 174.900 0.059 0.000 1.021 190 G CA 1.279 46.408 45.100 0.049 0.000 0.905 190 G HN 1.338 nan 8.290 nan 0.000 0.508 191 T N -3.841 110.753 114.554 0.066 0.000 3.084 191 T HA 0.252 4.602 4.350 0.000 0.000 0.270 191 T C 2.201 176.965 174.700 0.108 0.000 1.008 191 T CA 1.210 63.358 62.100 0.081 0.000 0.900 191 T CB -0.022 68.886 68.868 0.066 0.000 1.084 191 T HN 0.603 nan 8.240 nan 0.000 0.538 192 T N 1.208 115.828 114.554 0.110 0.000 2.653 192 T HA -0.257 4.093 4.350 0.000 0.000 0.268 192 T C 1.505 176.271 174.700 0.109 0.000 1.035 192 T CA 2.021 64.188 62.100 0.111 0.000 1.154 192 T CB -0.836 68.101 68.868 0.116 0.000 0.862 192 T HN 0.449 nan 8.240 nan 0.000 0.441 193 D N 0.919 121.423 120.400 0.173 0.000 2.097 193 D HA -0.106 4.534 4.640 0.000 0.000 0.197 193 D C 2.405 178.844 176.300 0.231 0.000 0.984 193 D CA 0.900 55.054 54.000 0.256 0.000 0.826 193 D CB -0.113 40.861 40.800 0.289 0.000 0.973 193 D HN 0.258 nan 8.370 nan 0.000 0.460 194 E N 0.452 120.755 120.200 0.172 0.000 2.106 194 E HA -0.128 4.222 4.350 0.000 0.000 0.192 194 E C 1.710 178.405 176.600 0.157 0.000 0.984 194 E CA 0.714 57.198 56.400 0.141 0.000 0.806 194 E CB -0.247 29.520 29.700 0.110 0.000 0.750 194 E HN 0.469 nan 8.360 nan 0.000 0.458 195 D N 0.132 120.642 120.400 0.183 0.000 2.104 195 D HA -0.194 4.446 4.640 0.000 0.000 0.194 195 D C 1.904 178.416 176.300 0.354 0.000 0.994 195 D CA 0.988 55.128 54.000 0.233 0.000 0.830 195 D CB -0.505 40.421 40.800 0.209 0.000 0.959 195 D HN 0.244 nan 8.370 nan 0.000 0.452 196 Y N 1.282 121.705 120.300 0.204 0.000 2.128 196 Y HA -0.237 4.313 4.550 0.000 0.000 0.284 196 Y C 2.261 178.241 175.900 0.134 0.000 1.154 196 Y CA 1.511 59.590 58.100 -0.035 0.000 1.149 196 Y CB -0.296 37.854 38.460 -0.516 0.000 0.976 196 Y HN -0.178 nan 8.280 nan 0.000 0.505 197 M N 0.361 119.954 119.600 -0.011 0.000 2.106 197 M HA -0.245 4.235 4.480 0.000 0.000 0.259 197 M C 2.449 178.710 176.300 -0.064 0.000 1.068 197 M CA 1.813 57.069 55.300 -0.072 0.000 1.100 197 M CB -1.952 30.679 32.600 0.051 0.000 1.351 197 M HN 0.503 nan 8.290 nan 0.000 0.404 198 A N -0.842 122.001 122.820 0.039 0.000 1.845 198 A HA -0.235 4.085 4.320 0.000 0.000 0.215 198 A C 2.067 179.693 177.584 0.071 0.000 1.195 198 A CA 1.750 53.825 52.037 0.064 0.000 0.616 198 A CB -1.505 17.561 19.000 0.111 0.000 0.832 198 A HN 0.678 nan 8.150 nan 0.000 0.443 199 W N 0.981 122.264 121.300 -0.027 0.000 2.338 199 W HA -0.208 4.453 4.660 0.000 0.000 0.304 199 W C 2.237 178.697 176.519 -0.098 0.000 1.212 199 W CA 2.405 59.746 57.345 -0.008 0.000 1.264 199 W CB -0.069 29.491 29.460 0.167 0.000 1.142 199 W HN 0.326 nan 8.180 nan 0.000 0.512 200 K N 0.339 120.669 120.400 -0.116 0.000 1.987 200 K HA -0.279 4.041 4.320 0.000 0.000 0.216 200 K C 1.743 178.210 176.600 -0.222 0.000 1.051 200 K CA 2.341 58.462 56.287 -0.276 0.000 0.942 200 K CB -0.859 31.331 32.500 -0.516 0.000 0.722 200 K HN 0.077 nan 8.250 nan 0.000 0.444 201 D N 0.234 120.543 120.400 -0.152 0.000 2.133 201 D HA -0.154 4.486 4.640 0.000 0.000 0.195 201 D C 2.077 178.303 176.300 -0.123 0.000 0.997 201 D CA 1.880 55.823 54.000 -0.096 0.000 0.840 201 D CB -0.211 40.555 40.800 -0.057 0.000 0.947 201 D HN 0.427 nan 8.370 nan 0.000 0.452 202 S N 0.414 116.009 115.700 -0.176 0.000 2.368 202 S HA -0.103 4.367 4.470 0.000 0.000 0.224 202 S C 2.144 176.596 174.600 -0.247 0.000 1.029 202 S CA 0.356 58.449 58.200 -0.180 0.000 0.988 202 S CB -0.278 62.823 63.200 -0.166 0.000 0.838 202 S HN 0.098 nan 8.310 nan 0.000 0.462 203 I N 2.007 122.309 120.570 -0.447 0.000 2.286 203 I HA -0.037 4.133 4.170 0.000 0.000 0.248 203 I C 2.396 178.406 176.117 -0.178 0.000 1.115 203 I CA 1.020 62.052 61.300 -0.447 0.000 1.392 203 I CB -1.120 36.309 38.000 -0.951 0.000 1.065 203 I HN 0.356 nan 8.210 nan 0.000 0.418 204 L N -0.003 121.160 121.223 -0.100 0.000 2.131 204 L HA -0.197 4.143 4.340 0.000 0.000 0.210 204 L C 2.541 179.411 176.870 0.000 0.000 1.092 204 L CA 1.062 55.905 54.840 0.005 0.000 0.759 204 L CB -0.427 41.675 42.059 0.072 0.000 0.903 204 L HN 0.233 nan 8.230 nan 0.000 0.435 205 E N -0.161 120.020 120.200 -0.032 0.000 2.047 205 E HA -0.152 4.198 4.350 0.000 0.000 0.191 205 E C 2.354 178.925 176.600 -0.050 0.000 0.987 205 E CA 1.102 57.488 56.400 -0.023 0.000 0.799 205 E CB -0.323 29.356 29.700 -0.036 0.000 0.752 205 E HN 0.278 nan 8.360 nan 0.000 0.449 206 V N 1.856 121.726 119.914 -0.072 0.000 2.255 206 V HA -0.264 3.856 4.120 0.000 0.000 0.247 206 V C 2.599 178.658 176.094 -0.059 0.000 1.051 206 V CA 1.606 63.868 62.300 -0.065 0.000 1.018 206 V CB -0.621 31.155 31.823 -0.078 0.000 0.641 206 V HN 0.205 nan 8.190 nan 0.000 0.445 207 L N -0.360 120.818 121.223 -0.076 0.000 2.201 207 L HA -0.182 4.158 4.340 0.000 0.000 0.212 207 L C 2.554 179.297 176.870 -0.212 0.000 1.105 207 L CA 1.591 56.367 54.840 -0.106 0.000 0.775 207 L CB -0.581 41.399 42.059 -0.131 0.000 0.913 207 L HN 0.342 nan 8.230 nan 0.000 0.440 208 K N 0.310 120.573 120.400 -0.230 0.000 2.057 208 K HA -0.196 4.124 4.320 0.000 0.000 0.207 208 K C 1.466 177.997 176.600 -0.116 0.000 1.049 208 K CA 1.851 57.985 56.287 -0.255 0.000 0.931 208 K CB 0.086 32.551 32.500 -0.060 0.000 0.714 208 K HN 0.211 nan 8.250 nan 0.000 0.440 209 D N 0.636 120.995 120.400 -0.069 0.000 2.083 209 D HA -0.139 4.501 4.640 0.000 0.000 0.199 209 D C 1.848 178.184 176.300 0.059 0.000 0.980 209 D CA 0.959 54.930 54.000 -0.048 0.000 0.851 209 D CB -0.315 40.458 40.800 -0.046 0.000 0.997 209 D HN 0.124 nan 8.370 nan 0.000 0.449 210 E N 0.010 120.240 120.200 0.051 0.000 2.197 210 E HA -0.195 4.155 4.350 0.000 0.000 0.205 210 E C 1.959 178.640 176.600 0.134 0.000 1.029 210 E CA 0.935 57.391 56.400 0.093 0.000 0.828 210 E CB -0.202 29.524 29.700 0.044 0.000 0.737 210 E HN 0.379 nan 8.360 nan 0.000 0.464 211 L N -0.829 120.442 121.223 0.080 0.000 2.640 211 L HA 0.136 4.476 4.340 0.000 0.000 0.230 211 L C -0.195 176.736 176.870 0.102 0.000 1.123 211 L CA -0.131 54.724 54.840 0.024 0.000 0.900 211 L CB -0.187 41.836 42.059 -0.061 0.000 1.146 211 L HN 0.213 nan 8.230 nan 0.000 0.484 212 H N 0.674 119.698 119.070 -0.076 0.000 2.702 212 H HA -0.124 4.432 4.556 0.000 0.000 0.328 212 H C -0.320 174.973 175.328 -0.058 0.000 1.111 212 H CA -0.263 55.754 56.048 -0.052 0.000 1.109 212 H CB -1.480 28.266 29.762 -0.026 0.000 1.606 212 H HN 0.288 nan 8.280 nan 0.000 0.399 213 L N 1.820 123.045 121.223 0.003 0.000 2.334 213 L HA 0.394 4.734 4.340 0.000 0.000 0.272 213 L C 0.582 177.517 176.870 0.108 0.000 1.020 213 L CA -0.750 54.084 54.840 -0.011 0.000 0.812 213 L CB 1.536 43.412 42.059 -0.304 0.000 1.264 213 L HN 0.230 nan 8.230 nan 0.000 0.439 214 D N 1.798 122.299 120.400 0.167 0.000 2.233 214 D HA 0.256 4.896 4.640 0.000 0.000 0.240 214 D C -0.203 176.231 176.300 0.222 0.000 1.074 214 D CA -0.312 53.780 54.000 0.153 0.000 0.838 214 D CB 2.086 42.940 40.800 0.089 0.000 1.124 214 D HN 0.463 nan 8.370 nan 0.000 0.475 215 E N 0.927 121.229 120.200 0.169 0.000 2.376 215 E HA 0.240 4.590 4.350 0.000 0.000 0.254 215 E C 0.060 176.626 176.600 -0.056 0.000 1.213 215 E CA -0.256 56.144 56.400 0.001 0.000 0.945 215 E CB 0.892 30.561 29.700 -0.051 0.000 1.057 215 E HN 0.461 nan 8.360 nan 0.000 0.479 216 Q N -0.380 119.333 119.800 -0.145 0.000 2.578 216 Q HA 0.271 4.611 4.340 0.000 0.000 0.284 216 Q C -1.204 174.722 176.000 -0.124 0.000 0.960 216 Q CA -0.858 54.886 55.803 -0.099 0.000 0.809 216 Q CB 0.992 29.683 28.738 -0.077 0.000 1.462 216 Q HN 0.409 nan 8.270 nan 0.000 0.392 217 E N 0.795 120.943 120.200 -0.086 0.000 2.502 217 E HA 0.204 4.554 4.350 0.000 0.000 0.261 217 E C -0.584 175.961 176.600 -0.092 0.000 0.974 217 E CA 0.380 56.731 56.400 -0.082 0.000 0.936 217 E CB 0.583 30.244 29.700 -0.065 0.000 0.926 217 E HN 0.602 nan 8.360 nan 0.000 0.459 218 A N 5.426 128.192 122.820 -0.090 0.000 2.491 218 A HA 0.145 4.465 4.320 0.000 0.000 0.261 218 A C -0.397 177.169 177.584 -0.030 0.000 1.101 218 A CA 0.145 52.140 52.037 -0.070 0.000 0.772 218 A CB 0.337 19.308 19.000 -0.048 0.000 1.043 218 A HN 0.432 nan 8.150 nan 0.000 0.501 219 K N 1.859 122.259 120.400 0.000 0.000 2.464 219 K HA 0.353 4.673 4.320 0.000 0.000 0.253 219 K C -0.995 175.695 176.600 0.151 0.000 0.933 219 K CA -0.639 55.674 56.287 0.042 0.000 0.801 219 K CB 1.791 34.291 32.500 -0.000 0.000 1.271 219 K HN 0.597 nan 8.250 nan 0.000 0.430 220 F N 1.630 121.648 119.950 0.113 0.000 2.518 220 F HA 0.244 4.771 4.527 0.000 0.000 0.359 220 F C -0.256 175.643 175.800 0.164 0.000 1.118 220 F CA 0.454 58.589 58.000 0.226 0.000 1.287 220 F CB 0.685 39.954 39.000 0.449 0.000 1.132 220 F HN 0.318 nan 8.300 nan 0.000 0.587 221 T N 5.029 119.134 114.554 -0.750 0.000 3.066 221 T HA 0.180 4.531 4.350 0.000 0.000 0.318 221 T C -0.511 173.684 174.700 -0.842 0.000 0.979 221 T CA -0.620 61.051 62.100 -0.715 0.000 1.025 221 T CB 0.895 69.609 68.868 -0.258 0.000 1.002 221 T HN 0.740 nan 8.240 nan 0.000 0.453 222 S N 1.867 116.998 115.700 -0.948 0.000 2.568 222 S HA 0.068 4.538 4.470 0.000 0.000 0.282 222 S C 1.105 175.653 174.600 -0.087 0.000 1.338 222 S CA -0.070 57.962 58.200 -0.280 0.000 1.045 222 S CB 0.657 63.874 63.200 0.028 0.000 0.873 222 S HN 0.710 nan 8.310 nan 0.000 0.516 223 Q N 1.697 121.511 119.800 0.023 0.000 2.319 223 Q HA 0.215 4.555 4.340 0.000 0.000 0.202 223 Q C -0.981 174.714 176.000 -0.508 0.000 0.896 223 Q CA 0.225 55.876 55.803 -0.254 0.000 0.942 223 Q CB 0.302 28.818 28.738 -0.370 0.000 1.083 223 Q HN 0.650 nan 8.270 nan 0.000 0.510 224 F N -0.540 119.437 119.950 0.045 0.000 2.631 224 F HA 0.339 4.866 4.527 0.000 0.000 0.328 224 F C -0.010 175.845 175.800 0.091 0.000 1.067 224 F CA -1.059 56.983 58.000 0.070 0.000 0.969 224 F CB 1.356 40.415 39.000 0.097 0.000 1.332 224 F HN -0.309 nan 8.300 nan 0.000 0.490 225 Q N 1.375 121.368 119.800 0.321 0.000 2.425 225 Q HA 0.251 4.591 4.340 0.000 0.000 0.254 225 Q C -1.706 174.466 176.000 0.287 0.000 1.032 225 Q CA -0.673 55.270 55.803 0.233 0.000 0.798 225 Q CB 0.682 29.509 28.738 0.149 0.000 1.210 225 Q HN 0.645 nan 8.270 nan 0.000 0.491 226 Y N 2.931 123.329 120.300 0.162 0.000 2.402 226 Y HA 0.242 4.792 4.550 0.000 0.000 0.333 226 Y C -0.757 175.226 175.900 0.139 0.000 1.076 226 Y CA 0.620 58.812 58.100 0.153 0.000 1.299 226 Y CB 0.959 39.487 38.460 0.113 0.000 1.197 226 Y HN 0.463 nan 8.280 nan 0.000 0.517 227 T N 5.642 120.076 114.554 -0.200 0.000 2.921 227 T HA 0.380 4.730 4.350 0.000 0.000 0.297 227 T C -1.240 173.309 174.700 -0.252 0.000 1.013 227 T CA -0.743 61.278 62.100 -0.133 0.000 0.990 227 T CB 1.276 70.130 68.868 -0.024 0.000 1.023 227 T HN 0.338 nan 8.240 nan 0.000 0.447 228 V N 4.876 124.702 119.914 -0.146 0.000 2.334 228 V HA 0.344 4.464 4.120 0.000 0.000 0.267 228 V C 0.441 176.521 176.094 -0.024 0.000 1.040 228 V CA -0.631 61.619 62.300 -0.082 0.000 0.866 228 V CB 0.073 31.898 31.823 0.003 0.000 1.019 228 V HN 0.707 nan 8.190 nan 0.000 0.468 229 L N 3.865 125.073 121.223 -0.025 0.000 2.505 229 L HA 0.456 4.796 4.340 0.000 0.000 0.226 229 L C 1.119 177.990 176.870 0.001 0.000 1.211 229 L CA -0.383 54.448 54.840 -0.015 0.000 0.828 229 L CB 0.315 42.356 42.059 -0.030 0.000 1.331 229 L HN 0.563 nan 8.230 nan 0.000 0.513 230 N N -1.384 117.316 118.700 0.001 0.000 2.360 230 N HA 0.125 4.865 4.740 0.000 0.000 0.211 230 N C -0.192 175.320 175.510 0.004 0.000 1.147 230 N CA 0.175 53.230 53.050 0.008 0.000 0.866 230 N CB 1.335 39.828 38.487 0.010 0.000 1.206 230 N HN 0.503 nan 8.380 nan 0.000 0.478 231 E N 0.723 120.922 120.200 -0.002 0.000 2.359 231 E HA 0.348 4.698 4.350 0.000 0.000 0.266 231 E C -1.004 175.589 176.600 -0.011 0.000 0.920 231 E CA -0.789 55.608 56.400 -0.004 0.000 0.788 231 E CB 2.726 32.424 29.700 -0.003 0.000 1.279 231 E HN -0.063 nan 8.360 nan 0.000 0.438 232 I N 0.978 121.540 120.570 -0.012 0.000 2.339 232 I HA 0.194 4.365 4.170 0.000 0.000 0.290 232 I C -0.044 176.065 176.117 -0.013 0.000 0.994 232 I CA 0.247 61.536 61.300 -0.018 0.000 1.191 232 I CB 1.086 39.074 38.000 -0.020 0.000 1.343 232 I HN 0.326 nan 8.210 nan 0.000 0.458 233 T N 4.326 118.873 114.554 -0.012 0.000 2.891 233 T HA 0.255 4.606 4.350 0.000 0.000 0.294 233 T C 0.192 174.892 174.700 0.000 0.000 1.065 233 T CA -0.200 61.897 62.100 -0.005 0.000 0.936 233 T CB 0.431 69.298 68.868 -0.002 0.000 1.415 233 T HN 0.532 nan 8.240 nan 0.000 0.572 234 D N -0.010 120.395 120.400 0.009 0.000 2.369 234 D HA 0.107 4.747 4.640 0.000 0.000 0.211 234 D C 1.582 177.913 176.300 0.053 0.000 1.077 234 D CA 0.050 54.063 54.000 0.021 0.000 0.842 234 D CB 0.131 40.940 40.800 0.015 0.000 0.947 234 D HN 0.401 nan 8.370 nan 0.000 0.509 235 S N -0.988 114.741 115.700 0.048 0.000 2.540 235 S HA 0.248 4.718 4.470 0.000 0.000 0.218 235 S C 0.644 175.277 174.600 0.055 0.000 0.977 235 S CA -0.383 57.869 58.200 0.086 0.000 0.918 235 S CB 0.123 63.358 63.200 0.060 0.000 0.806 235 S HN -0.001 nan 8.310 nan 0.000 0.496 236 M N 2.114 121.727 119.600 0.022 0.000 2.363 236 M HA 0.426 4.906 4.480 0.000 0.000 0.343 236 M C -0.024 176.273 176.300 -0.004 0.000 1.165 236 M CA -0.341 54.956 55.300 -0.006 0.000 1.046 236 M CB 1.960 34.542 32.600 -0.030 0.000 1.648 236 M HN 0.156 nan 8.290 nan 0.000 0.452 237 S N 2.260 117.959 115.700 -0.000 0.000 2.554 237 S HA 0.501 4.971 4.470 0.000 0.000 0.278 237 S C 0.178 174.766 174.600 -0.020 0.000 1.242 237 S CA -0.674 57.537 58.200 0.019 0.000 1.051 237 S CB 0.554 63.821 63.200 0.112 0.000 0.986 237 S HN 0.785 nan 8.310 nan 0.000 0.502 238 L N 3.957 125.145 121.223 -0.058 0.000 2.910 238 L HA 0.388 4.728 4.340 0.000 0.000 0.252 238 L C 1.406 178.170 176.870 -0.177 0.000 1.195 238 L CA 0.213 54.994 54.840 -0.097 0.000 1.003 238 L CB 0.134 42.134 42.059 -0.097 0.000 1.328 238 L HN 1.042 nan 8.230 nan 0.000 0.540 239 G N -0.612 108.063 108.800 -0.209 0.000 2.273 239 G HA2 -0.180 3.780 3.960 0.000 0.000 0.162 239 G HA3 -0.180 3.780 3.960 0.000 0.000 0.162 239 G C 0.030 174.694 174.900 -0.393 0.000 1.006 239 G CA -0.686 44.117 45.100 -0.495 0.000 0.704 239 G HN 0.294 nan 8.290 nan 0.000 0.487 240 E N 1.423 121.522 120.200 -0.168 0.000 2.467 240 E HA 0.313 4.663 4.350 0.000 0.000 0.264 240 E C -0.989 175.675 176.600 0.106 0.000 1.020 240 E CA -0.386 55.958 56.400 -0.093 0.000 0.945 240 E CB 0.854 30.564 29.700 0.017 0.000 0.942 240 E HN 0.248 nan 8.360 nan 0.000 0.449 241 P HA -0.138 nan 4.420 nan 0.000 0.198 241 P C -0.208 177.236 177.300 0.240 0.000 1.043 241 P CA 1.082 64.286 63.100 0.173 0.000 0.892 241 P CB -0.005 31.582 31.700 -0.189 0.000 0.701 242 S N -1.334 114.485 115.700 0.198 0.000 2.645 242 S HA 0.477 4.947 4.470 0.000 0.000 0.266 242 S C 1.272 176.055 174.600 0.304 0.000 1.258 242 S CA -0.109 58.287 58.200 0.327 0.000 0.990 242 S CB 0.672 64.138 63.200 0.443 0.000 0.967 242 S HN 0.284 nan 8.310 nan 0.000 0.556 243 A N 0.194 123.113 122.820 0.165 0.000 2.067 243 A HA -0.074 4.246 4.320 0.000 0.000 0.219 243 A C 1.864 179.283 177.584 -0.275 0.000 1.158 243 A CA 1.114 53.063 52.037 -0.147 0.000 0.661 243 A CB -1.339 17.453 19.000 -0.347 0.000 0.801 243 A HN 0.966 nan 8.150 nan 0.000 0.452 244 H N -2.547 116.489 119.070 -0.057 0.000 2.489 244 H HA -0.156 4.400 4.556 0.000 0.000 0.295 244 H C 0.558 175.843 175.328 -0.072 0.000 1.082 244 H CA 1.441 57.457 56.048 -0.053 0.000 1.295 244 H CB -0.112 29.638 29.762 -0.020 0.000 1.380 244 H HN 0.681 nan 8.280 nan 0.000 0.548 245 Y N 0.690 121.047 120.300 0.094 0.000 2.495 245 Y HA 0.207 4.757 4.550 0.000 0.000 0.293 245 Y C 0.727 176.635 175.900 0.014 0.000 1.186 245 Y CA -0.208 57.923 58.100 0.052 0.000 1.266 245 Y CB 0.092 38.566 38.460 0.024 0.000 1.101 245 Y HN 0.009 nan 8.280 nan 0.000 0.517 246 L N 1.204 122.491 121.223 0.106 0.000 2.326 246 L HA 0.172 4.512 4.340 0.000 0.000 0.278 246 L C -1.246 175.701 176.870 0.128 0.000 1.092 246 L CA -1.797 53.098 54.840 0.091 0.000 0.810 246 L CB 1.222 43.316 42.059 0.059 0.000 1.153 246 L HN -0.030 nan 8.230 nan 0.000 0.439 247 P HA -0.222 nan 4.420 nan 0.000 0.216 247 P C 1.233 178.572 177.300 0.065 0.000 1.157 247 P CA 1.400 64.534 63.100 0.058 0.000 0.880 247 P CB 0.116 31.834 31.700 0.030 0.000 0.791 248 S N -1.982 113.768 115.700 0.084 0.000 2.805 248 S HA -0.066 4.404 4.470 0.000 0.000 0.230 248 S C 0.462 174.995 174.600 -0.111 0.000 0.968 248 S CA 0.294 58.497 58.200 0.006 0.000 0.976 248 S CB -1.271 61.928 63.200 -0.003 0.000 0.787 248 S HN 0.221 nan 8.310 nan 0.000 0.533 249 H N 0.117 119.174 119.070 -0.021 0.000 2.895 249 H HA 0.425 4.981 4.556 0.000 0.000 0.373 249 H C -0.778 174.531 175.328 -0.031 0.000 1.174 249 H CA -0.757 55.272 56.048 -0.031 0.000 1.144 249 H CB 1.438 31.176 29.762 -0.040 0.000 1.793 249 H HN 0.183 nan 8.280 nan 0.000 0.551 250 Q N 2.246 122.086 119.800 0.067 0.000 2.333 250 Q HA 0.289 4.629 4.340 0.000 0.000 0.265 250 Q C -0.306 175.703 176.000 0.015 0.000 0.989 250 Q CA -0.741 55.075 55.803 0.022 0.000 0.842 250 Q CB 2.252 30.990 28.738 -0.000 0.000 1.262 250 Q HN 0.480 nan 8.270 nan 0.000 0.451 251 L N 3.013 124.215 121.223 -0.035 0.000 2.513 251 L HA 0.050 4.390 4.340 0.000 0.000 0.272 251 L C 1.045 177.905 176.870 -0.017 0.000 1.187 251 L CA 0.203 54.999 54.840 -0.073 0.000 0.895 251 L CB 0.093 42.059 42.059 -0.154 0.000 1.147 251 L HN 0.522 nan 8.230 nan 0.000 0.483 252 N N 4.842 123.540 118.700 -0.003 0.000 2.402 252 N HA 0.135 4.875 4.740 0.000 0.000 0.259 252 N C -0.251 175.264 175.510 0.010 0.000 1.167 252 N CA -0.464 52.586 53.050 0.001 0.000 0.949 252 N CB 0.457 38.938 38.487 -0.010 0.000 1.212 252 N HN 0.584 nan 8.380 nan 0.000 0.493 253 R N 1.621 122.131 120.500 0.017 0.000 3.024 253 R HA 0.403 4.743 4.340 0.000 0.000 0.224 253 R C -0.386 175.925 176.300 0.018 0.000 1.490 253 R CA -0.882 55.236 56.100 0.031 0.000 1.057 253 R CB 0.411 30.734 30.300 0.038 0.000 1.723 253 R HN 0.634 nan 8.270 nan 0.000 0.520 254 N N -1.146 117.567 118.700 0.022 0.000 2.834 254 N HA 0.303 5.043 4.740 0.000 0.000 0.300 254 N C 0.421 175.939 175.510 0.014 0.000 1.367 254 N CA -0.238 52.819 53.050 0.013 0.000 0.792 254 N CB 0.378 38.872 38.487 0.011 0.000 1.530 254 N HN 0.502 nan 8.380 nan 0.000 0.566 255 A N -0.168 122.658 122.820 0.010 0.000 1.957 255 A HA -0.267 4.053 4.320 0.000 0.000 0.224 255 A C 0.757 178.349 177.584 0.013 0.000 1.287 255 A CA 2.279 54.322 52.037 0.009 0.000 0.682 255 A CB -1.153 17.852 19.000 0.007 0.000 0.833 255 A HN 0.780 nan 8.150 nan 0.000 0.482 256 D N -1.357 119.053 120.400 0.016 0.000 2.561 256 D HA 0.348 4.988 4.640 0.000 0.000 0.232 256 D C 1.304 177.620 176.300 0.027 0.000 1.198 256 D CA 0.806 54.817 54.000 0.020 0.000 0.826 256 D CB -0.269 40.543 40.800 0.020 0.000 0.992 256 D HN 0.697 nan 8.370 nan 0.000 0.490 257 G N 1.236 110.053 108.800 0.028 0.000 2.228 257 G HA2 -0.315 3.645 3.960 0.000 0.000 0.270 257 G HA3 -0.315 3.645 3.960 0.000 0.000 0.270 257 G C 0.608 175.540 174.900 0.053 0.000 0.976 257 G CA -0.253 44.868 45.100 0.036 0.000 0.636 257 G HN 0.382 nan 8.290 nan 0.000 0.542 258 I N 1.565 122.166 120.570 0.051 0.000 2.828 258 I HA 0.007 4.177 4.170 0.000 0.000 0.292 258 I C 1.194 177.363 176.117 0.086 0.000 1.206 258 I CA 0.344 61.683 61.300 0.065 0.000 1.420 258 I CB 0.225 38.251 38.000 0.043 0.000 1.368 258 I HN 0.402 nan 8.210 nan 0.000 0.556 259 Q N 5.881 125.767 119.800 0.143 0.000 2.271 259 Q HA 0.192 4.532 4.340 0.000 0.000 0.273 259 Q C -0.263 175.873 176.000 0.227 0.000 1.051 259 Q CA 0.078 56.008 55.803 0.212 0.000 0.901 259 Q CB 0.793 29.752 28.738 0.368 0.000 1.174 259 Q HN 0.566 nan 8.270 nan 0.000 0.385 260 L N 2.589 123.888 121.223 0.127 0.000 2.719 260 L HA 0.655 4.995 4.340 0.000 0.000 0.182 260 L C 0.722 177.438 176.870 -0.256 0.000 1.940 260 L CA -0.217 54.626 54.840 0.005 0.000 2.839 260 L CB -0.094 41.946 42.059 -0.032 0.000 2.949 260 L HN 0.939 nan 8.230 nan 0.000 0.669 261 G N -0.185 108.435 108.800 -0.299 0.000 2.819 261 G HA2 -0.144 3.816 3.960 0.000 0.000 0.682 261 G HA3 -0.144 3.816 3.960 0.000 0.000 0.682 261 G C -2.957 171.506 174.900 -0.729 0.000 1.481 261 G CA -1.042 43.783 45.100 -0.458 0.000 0.904 261 G HN 0.276 nan 8.290 nan 0.000 0.563 262 P HA 0.559 nan 4.420 nan 0.000 0.285 262 P C -0.526 176.459 177.300 -0.525 0.000 1.259 262 P CA -0.237 62.622 63.100 -0.401 0.000 0.794 262 P CB 0.457 32.045 31.700 -0.188 0.000 0.940 263 F N 3.190 123.135 119.950 -0.008 0.000 2.375 263 F HA 0.358 4.885 4.527 0.000 0.000 0.361 263 F C 0.684 176.467 175.800 -0.028 0.000 1.117 263 F CA -0.139 57.858 58.000 -0.004 0.000 1.037 263 F CB 1.199 40.227 39.000 0.047 0.000 1.192 263 F HN 0.331 nan 8.300 nan 0.000 0.452 264 D N 1.226 121.634 120.400 0.014 0.000 3.009 264 D HA 0.206 4.846 4.640 0.000 0.000 0.318 264 D C 0.504 176.570 176.300 -0.391 0.000 1.273 264 D CA -0.682 53.138 54.000 -0.300 0.000 1.001 264 D CB 0.469 41.222 40.800 -0.077 0.000 1.411 264 D HN 0.301 nan 8.370 nan 0.000 0.577 265 L N -0.054 121.013 121.223 -0.260 0.000 2.450 265 L HA -0.045 4.295 4.340 0.000 0.000 0.224 265 L C 1.559 178.620 176.870 0.318 0.000 1.149 265 L CA 1.595 56.497 54.840 0.103 0.000 0.816 265 L CB -0.376 41.715 42.059 0.054 0.000 0.932 265 L HN 0.492 nan 8.230 nan 0.000 0.449 266 S N -2.232 113.598 115.700 0.216 0.000 2.568 266 S HA 0.139 4.609 4.470 0.000 0.000 0.232 266 S C 0.503 175.228 174.600 0.208 0.000 0.975 266 S CA -0.425 57.911 58.200 0.227 0.000 0.949 266 S CB 0.513 63.793 63.200 0.134 0.000 0.829 266 S HN 0.314 nan 8.310 nan 0.000 0.479 267 Q N 1.425 121.333 119.800 0.179 0.000 3.087 267 Q HA 0.246 4.586 4.340 0.000 0.000 0.202 267 Q C -3.246 172.792 176.000 0.064 0.000 0.763 267 Q CA -0.517 55.312 55.803 0.043 0.000 1.023 267 Q CB 2.208 30.850 28.738 -0.160 0.000 1.570 267 Q HN 0.269 nan 8.270 nan 0.000 0.494 268 P HA 0.237 nan 4.420 nan 0.000 0.282 268 P C -0.957 176.210 177.300 -0.222 0.000 1.287 268 P CA -0.399 62.386 63.100 -0.525 0.000 0.792 268 P CB 0.871 31.525 31.700 -1.744 0.000 1.163 269 Y N 0.457 120.394 120.300 -0.605 0.000 2.338 269 Y HA 0.421 4.972 4.550 0.000 0.000 0.328 269 Y C -0.138 175.475 175.900 -0.480 0.000 0.965 269 Y CA -1.050 56.596 58.100 -0.757 0.000 1.208 269 Y CB 0.143 37.761 38.460 -1.402 0.000 1.132 269 Y HN 0.113 nan 8.280 nan 0.000 0.469 270 I N 6.754 126.826 120.570 -0.830 0.000 2.578 270 I HA 0.279 4.449 4.170 0.000 0.000 0.286 270 I C 0.352 175.910 176.117 -0.932 0.000 1.126 270 I CA 0.175 61.049 61.300 -0.710 0.000 1.380 270 I CB -0.134 37.632 38.000 -0.390 0.000 1.408 270 I HN 0.756 nan 8.210 nan 0.000 0.532 271 A N 9.971 132.431 122.820 -0.599 0.000 2.337 271 A HA 0.850 5.170 4.320 0.000 0.000 0.331 271 A C -2.598 174.969 177.584 -0.029 0.000 1.137 271 A CA -1.650 50.224 52.037 -0.272 0.000 0.807 271 A CB 1.354 20.398 19.000 0.073 0.000 1.250 271 A HN 0.451 nan 8.150 nan 0.000 0.468 272 P HA 0.406 nan 4.420 nan 0.000 0.292 272 P C -0.874 176.387 177.300 -0.064 0.000 1.283 272 P CA -0.212 62.885 63.100 -0.005 0.000 0.835 272 P CB 1.075 32.775 31.700 0.001 0.000 1.017 273 I N 4.041 124.489 120.570 -0.203 0.000 2.294 273 I HA 0.008 4.178 4.170 0.000 0.000 0.295 273 I C 1.942 177.910 176.117 -0.248 0.000 1.098 273 I CA -0.416 60.602 61.300 -0.471 0.000 1.277 273 I CB 0.969 38.591 38.000 -0.629 0.000 1.434 273 I HN 0.190 nan 8.210 nan 0.000 0.498 274 V N 2.733 122.529 119.914 -0.197 0.000 2.667 274 V HA 0.075 4.195 4.120 0.000 0.000 0.252 274 V C 0.848 176.865 176.094 -0.129 0.000 1.065 274 V CA 1.054 63.289 62.300 -0.109 0.000 1.083 274 V CB -0.656 31.130 31.823 -0.061 0.000 0.692 274 V HN 0.626 nan 8.190 nan 0.000 0.468 275 K N 0.741 121.021 120.400 -0.199 0.000 2.502 275 K HA 0.685 5.005 4.320 0.000 0.000 0.257 275 K C -1.153 175.315 176.600 -0.220 0.000 0.938 275 K CA 0.180 56.367 56.287 -0.166 0.000 0.819 275 K CB 2.476 34.904 32.500 -0.120 0.000 1.333 275 K HN 0.494 nan 8.250 nan 0.000 0.434 276 S N 1.663 117.264 115.700 -0.165 0.000 2.543 276 S HA 0.692 5.162 4.470 0.000 0.000 0.273 276 S C -1.145 173.401 174.600 -0.089 0.000 1.152 276 S CA -1.111 56.987 58.200 -0.171 0.000 0.910 276 S CB 1.684 64.728 63.200 -0.261 0.000 1.105 276 S HN 0.780 nan 8.310 nan 0.000 0.465 277 R N 0.737 121.219 120.500 -0.030 0.000 2.781 277 R HA 0.710 5.050 4.340 0.000 0.000 0.269 277 R C -1.469 174.811 176.300 -0.033 0.000 1.025 277 R CA -1.023 55.060 56.100 -0.027 0.000 0.914 277 R CB 0.709 31.003 30.300 -0.010 0.000 1.236 277 R HN 0.475 nan 8.270 nan 0.000 0.465 278 E N 1.021 121.198 120.200 -0.040 0.000 2.200 278 E HA 0.166 4.516 4.350 0.000 0.000 0.283 278 E C -0.121 176.458 176.600 -0.035 0.000 1.015 278 E CA -0.364 56.011 56.400 -0.042 0.000 0.819 278 E CB 1.572 31.265 29.700 -0.011 0.000 1.081 278 E HN 0.513 nan 8.360 nan 0.000 0.397 279 L N 4.183 125.361 121.223 -0.075 0.000 2.513 279 L HA 0.249 4.589 4.340 0.000 0.000 0.222 279 L C 0.513 177.562 176.870 0.298 0.000 1.096 279 L CA 0.597 55.414 54.840 -0.038 0.000 0.857 279 L CB -0.109 41.821 42.059 -0.215 0.000 1.026 279 L HN 0.451 nan 8.230 nan 0.000 0.469 280 F N -1.174 118.783 119.950 0.011 0.000 2.461 280 F HA 0.382 4.910 4.527 0.000 0.000 0.332 280 F C 0.757 176.576 175.800 0.031 0.000 1.073 280 F CA -0.772 57.254 58.000 0.044 0.000 1.017 280 F CB 1.667 40.703 39.000 0.060 0.000 1.301 280 F HN -0.144 nan 8.300 nan 0.000 0.492 281 S N 0.062 115.891 115.700 0.215 0.000 2.598 281 S HA 0.209 4.679 4.470 0.000 0.000 0.209 281 S C -0.803 173.840 174.600 0.071 0.000 1.029 281 S CA -0.604 57.662 58.200 0.109 0.000 1.172 281 S CB 0.559 63.800 63.200 0.067 0.000 1.427 281 S HN 0.498 nan 8.310 nan 0.000 0.418 282 S N 1.228 116.991 115.700 0.104 0.000 2.521 282 S HA 0.506 4.976 4.470 0.000 0.000 0.295 282 S C 0.092 174.743 174.600 0.085 0.000 1.098 282 S CA -0.649 57.592 58.200 0.068 0.000 0.999 282 S CB 0.912 64.148 63.200 0.059 0.000 1.034 282 S HN 0.337 nan 8.310 nan 0.000 0.483 283 N N 3.198 121.932 118.700 0.057 0.000 2.421 283 N HA 0.130 4.870 4.740 0.000 0.000 0.201 283 N C -0.118 175.428 175.510 0.059 0.000 1.198 283 N CA 0.311 53.393 53.050 0.053 0.000 0.838 283 N CB 0.209 38.718 38.487 0.036 0.000 1.011 283 N HN 0.666 nan 8.380 nan 0.000 0.463 284 D N -0.205 120.241 120.400 0.077 0.000 2.526 284 D HA 0.079 4.719 4.640 0.000 0.000 0.293 284 D C 0.460 176.829 176.300 0.116 0.000 1.081 284 D CA 0.180 54.230 54.000 0.082 0.000 0.924 284 D CB 1.341 42.184 40.800 0.072 0.000 1.498 284 D HN 0.249 nan 8.370 nan 0.000 0.497 285 R N 1.254 121.848 120.500 0.157 0.000 2.778 285 R HA 0.617 4.957 4.340 0.000 0.000 0.277 285 R C -0.369 176.104 176.300 0.289 0.000 0.977 285 R CA -0.642 55.595 56.100 0.228 0.000 0.950 285 R CB 1.597 32.071 30.300 0.291 0.000 1.165 285 R HN -0.139 nan 8.270 nan 0.000 0.474 286 N N 0.158 118.978 118.700 0.200 0.000 2.357 286 N HA 0.437 5.177 4.740 0.000 0.000 0.284 286 N C -1.583 173.793 175.510 -0.223 0.000 1.236 286 N CA -0.594 52.488 53.050 0.053 0.000 0.774 286 N CB 2.508 41.008 38.487 0.021 0.000 1.534 286 N HN 0.492 nan 8.380 nan 0.000 0.478 287 C N 1.863 120.861 119.300 -0.503 0.000 2.607 287 C HA 0.546 5.006 4.460 0.000 0.000 0.350 287 C C -1.382 173.399 174.990 -0.349 0.000 1.101 287 C CA -0.502 58.152 59.018 -0.606 0.000 1.282 287 C CB -0.428 26.488 27.740 -1.373 0.000 1.825 287 C HN 0.621 nan 8.230 nan 0.000 0.460 288 I N 4.459 124.908 120.570 -0.202 0.000 2.437 288 I HA 0.385 4.555 4.170 0.000 0.000 0.298 288 I C 0.152 176.225 176.117 -0.074 0.000 0.984 288 I CA 0.014 61.232 61.300 -0.137 0.000 1.214 288 I CB 1.141 39.052 38.000 -0.149 0.000 1.365 288 I HN 0.719 nan 8.210 nan 0.000 0.469 289 H N 4.430 123.422 119.070 -0.130 0.000 2.597 289 H HA 0.628 5.184 4.556 0.000 0.000 0.303 289 H C -1.022 174.222 175.328 -0.139 0.000 1.057 289 H CA -0.069 55.941 56.048 -0.062 0.000 1.261 289 H CB 0.803 30.564 29.762 -0.002 0.000 1.397 289 H HN 0.556 nan 8.280 nan 0.000 0.461 290 S N 4.232 119.600 115.700 -0.552 0.000 2.482 290 S HA 0.294 4.764 4.470 0.000 0.000 0.303 290 S C -0.673 173.511 174.600 -0.693 0.000 1.091 290 S CA -0.913 56.929 58.200 -0.597 0.000 1.057 290 S CB 1.261 64.119 63.200 -0.569 0.000 1.031 290 S HN 0.716 nan 8.310 nan 0.000 0.485 291 E N 1.780 121.582 120.200 -0.664 0.000 2.129 291 E HA 0.349 4.699 4.350 0.000 0.000 0.268 291 E C -1.397 174.935 176.600 -0.446 0.000 0.900 291 E CA -0.293 55.793 56.400 -0.523 0.000 0.755 291 E CB 1.093 30.490 29.700 -0.506 0.000 1.117 291 E HN 0.413 nan 8.360 nan 0.000 0.410 292 F N 1.794 121.645 119.950 -0.165 0.000 2.415 292 F HA 0.161 4.688 4.527 0.000 0.000 0.348 292 F C 0.632 176.406 175.800 -0.043 0.000 1.119 292 F CA -0.791 57.144 58.000 -0.108 0.000 1.069 292 F CB 1.017 39.945 39.000 -0.120 0.000 1.124 292 F HN 0.294 nan 8.300 nan 0.000 0.472 293 D N 4.206 124.698 120.400 0.153 0.000 2.295 293 D HA 0.236 4.876 4.640 0.000 0.000 0.248 293 D C 0.245 176.657 176.300 0.186 0.000 1.154 293 D CA 0.121 54.200 54.000 0.132 0.000 0.857 293 D CB 0.977 41.831 40.800 0.090 0.000 1.117 293 D HN 0.548 nan 8.370 nan 0.000 0.468 294 L N 2.678 123.982 121.223 0.135 0.000 2.766 294 L HA 0.014 4.354 4.340 0.000 0.000 0.242 294 L C 2.159 179.026 176.870 -0.006 0.000 1.136 294 L CA -0.066 54.814 54.840 0.066 0.000 0.933 294 L CB 0.067 42.128 42.059 0.003 0.000 1.241 294 L HN 0.331 nan 8.230 nan 0.000 0.522 295 S N 0.346 116.080 115.700 0.057 0.000 2.402 295 S HA -0.172 4.298 4.470 0.000 0.000 0.233 295 S C 1.841 176.460 174.600 0.031 0.000 1.030 295 S CA 1.258 59.483 58.200 0.042 0.000 1.003 295 S CB -0.904 62.331 63.200 0.059 0.000 0.813 295 S HN 0.464 nan 8.310 nan 0.000 0.477 296 G N 1.387 110.238 108.800 0.084 0.000 3.186 296 G HA2 0.362 4.322 3.960 0.000 0.000 0.214 296 G HA3 0.362 4.322 3.960 0.000 0.000 0.214 296 G C 0.202 175.131 174.900 0.048 0.000 1.222 296 G CA 0.287 45.462 45.100 0.125 0.000 0.921 296 G HN 0.852 nan 8.290 nan 0.000 0.504 297 S N -1.097 114.510 115.700 -0.154 0.000 2.596 297 S HA 0.298 4.768 4.470 0.000 0.000 0.270 297 S C 0.121 174.654 174.600 -0.111 0.000 1.155 297 S CA -0.815 57.228 58.200 -0.261 0.000 0.827 297 S CB 1.256 63.808 63.200 -1.080 0.000 1.130 297 S HN 0.128 nan 8.310 nan 0.000 0.467 298 N N 0.699 119.402 118.700 0.004 0.000 2.375 298 N HA 0.128 4.868 4.740 0.000 0.000 0.220 298 N C -0.204 175.330 175.510 0.039 0.000 1.170 298 N CA -0.242 52.822 53.050 0.022 0.000 0.833 298 N CB -0.445 38.058 38.487 0.028 0.000 1.069 298 N HN 0.699 nan 8.380 nan 0.000 0.479 299 I N 0.828 121.401 120.570 0.006 0.000 2.496 299 I HA 0.073 4.243 4.170 0.000 0.000 0.285 299 I C 0.359 176.522 176.117 0.077 0.000 1.080 299 I CA 0.102 61.432 61.300 0.050 0.000 1.404 299 I CB 0.543 38.518 38.000 -0.041 0.000 1.403 299 I HN -0.119 nan 8.210 nan 0.000 0.539 300 K N 6.617 127.083 120.400 0.111 0.000 2.371 300 K HA 0.522 4.842 4.320 0.000 0.000 0.251 300 K C -1.355 175.354 176.600 0.182 0.000 0.934 300 K CA -0.771 55.584 56.287 0.113 0.000 0.798 300 K CB 2.546 35.071 32.500 0.042 0.000 1.204 300 K HN 0.503 nan 8.250 nan 0.000 0.427 301 Y N -1.925 118.393 120.300 0.029 0.000 2.545 301 Y HA 0.650 5.200 4.550 0.000 0.000 0.348 301 Y C -0.930 174.988 175.900 0.031 0.000 1.002 301 Y CA -0.991 57.131 58.100 0.037 0.000 1.039 301 Y CB 1.783 40.268 38.460 0.042 0.000 1.271 301 Y HN 0.329 nan 8.280 nan 0.000 0.467 302 S N 1.123 116.815 115.700 -0.012 0.000 2.501 302 S HA 0.378 4.848 4.470 0.000 0.000 0.301 302 S C -0.761 173.863 174.600 0.041 0.000 1.096 302 S CA -0.988 57.146 58.200 -0.111 0.000 1.063 302 S CB 1.486 64.668 63.200 -0.030 0.000 1.042 302 S HN 0.743 nan 8.310 nan 0.000 0.494 303 T N 2.470 117.015 114.554 -0.015 0.000 2.891 303 T HA 0.363 4.713 4.350 0.000 0.000 0.296 303 T C 1.420 176.267 174.700 0.246 0.000 1.025 303 T CA 1.305 63.494 62.100 0.148 0.000 1.149 303 T CB -0.058 68.846 68.868 0.060 0.000 1.007 303 T HN 1.184 nan 8.240 nan 0.000 0.528 304 G N 2.979 111.996 108.800 0.362 0.000 2.201 304 G HA2 -0.173 3.787 3.960 0.000 0.000 0.212 304 G HA3 -0.173 3.787 3.960 0.000 0.000 0.212 304 G C -0.038 174.979 174.900 0.196 0.000 0.994 304 G CA -0.237 45.126 45.100 0.439 0.000 0.644 304 G HN 0.652 nan 8.290 nan 0.000 0.508 305 D N 0.227 120.717 120.400 0.149 0.000 2.447 305 D HA 0.570 5.210 4.640 0.000 0.000 0.265 305 D C 0.474 176.768 176.300 -0.010 0.000 1.250 305 D CA 0.110 54.117 54.000 0.010 0.000 1.046 305 D CB 0.302 41.187 40.800 0.141 0.000 1.095 305 D HN 0.544 nan 8.370 nan 0.000 0.555 306 H N -1.028 118.122 119.070 0.133 0.000 2.622 306 H HA 0.531 5.087 4.556 0.000 0.000 0.363 306 H C -0.806 174.565 175.328 0.071 0.000 1.151 306 H CA -1.009 55.101 56.048 0.103 0.000 1.184 306 H CB 2.084 31.932 29.762 0.143 0.000 1.643 306 H HN 0.048 nan 8.280 nan 0.000 0.531 307 L N 1.854 123.164 121.223 0.145 0.000 2.329 307 L HA 0.669 5.009 4.340 0.000 0.000 0.279 307 L C -0.761 176.014 176.870 -0.159 0.000 1.014 307 L CA -0.496 54.310 54.840 -0.056 0.000 0.814 307 L CB 1.303 43.265 42.059 -0.161 0.000 1.257 307 L HN 0.769 nan 8.230 nan 0.000 0.424 308 A N 4.982 127.554 122.820 -0.414 0.000 2.271 308 A HA 0.687 5.007 4.320 0.000 0.000 0.317 308 A C -1.107 176.299 177.584 -0.296 0.000 1.245 308 A CA -0.510 51.120 52.037 -0.677 0.000 0.857 308 A CB 0.865 19.140 19.000 -1.209 0.000 1.175 308 A HN 0.477 nan 8.150 nan 0.000 0.512 309 V N 3.420 123.236 119.914 -0.163 0.000 2.328 309 V HA 0.212 4.332 4.120 0.000 0.000 0.278 309 V C -0.936 175.218 176.094 0.100 0.000 1.021 309 V CA -0.511 61.762 62.300 -0.045 0.000 0.838 309 V CB 0.423 32.192 31.823 -0.090 0.000 0.999 309 V HN 0.850 nan 8.190 nan 0.000 0.447 310 W N 7.957 129.132 121.300 -0.208 0.000 2.419 310 W HA 0.433 5.093 4.660 0.000 0.000 0.312 310 W C -1.756 174.686 176.519 -0.128 0.000 1.323 310 W CA -2.239 55.030 57.345 -0.127 0.000 1.293 310 W CB -0.187 29.221 29.460 -0.088 0.000 1.324 310 W HN 0.340 nan 8.180 nan 0.000 0.512 311 P HA 0.470 nan 4.420 nan 0.000 0.301 311 P C -0.639 176.729 177.300 0.113 0.000 1.309 311 P CA -0.461 62.660 63.100 0.036 0.000 0.782 311 P CB 2.047 33.747 31.700 0.001 0.000 1.282 312 S N -1.438 114.321 115.700 0.097 0.000 2.627 312 S HA 0.471 4.941 4.470 0.000 0.000 0.283 312 S C -0.556 174.121 174.600 0.130 0.000 1.127 312 S CA -0.888 57.380 58.200 0.114 0.000 0.863 312 S CB 0.567 63.878 63.200 0.184 0.000 1.121 312 S HN 0.386 nan 8.310 nan 0.000 0.479 313 N N 1.325 120.024 118.700 -0.001 0.000 2.513 313 N HA 0.430 5.171 4.740 0.000 0.000 0.274 313 N C -2.823 172.645 175.510 -0.070 0.000 1.189 313 N CA -1.587 51.464 53.050 0.001 0.000 0.975 313 N CB 0.514 38.926 38.487 -0.124 0.000 1.157 313 N HN 0.409 nan 8.380 nan 0.000 0.465 314 P HA 0.008 nan 4.420 nan 0.000 0.268 314 P C 0.384 177.403 177.300 -0.468 0.000 1.204 314 P CA 0.091 62.737 63.100 -0.757 0.000 0.768 314 P CB 0.606 31.940 31.700 -0.609 0.000 0.842 315 L N 2.803 123.694 121.223 -0.553 0.000 2.042 315 L HA -0.226 4.114 4.340 0.000 0.000 0.210 315 L C 2.188 178.886 176.870 -0.287 0.000 1.076 315 L CA 1.578 56.180 54.840 -0.397 0.000 0.749 315 L CB -0.916 40.840 42.059 -0.505 0.000 0.893 315 L HN 0.488 nan 8.230 nan 0.000 0.432 316 E N 0.174 120.184 120.200 -0.318 0.000 2.338 316 E HA -0.179 4.171 4.350 0.000 0.000 0.197 316 E C 1.531 178.065 176.600 -0.109 0.000 1.007 316 E CA 0.796 57.098 56.400 -0.162 0.000 0.849 316 E CB -0.196 29.431 29.700 -0.123 0.000 0.774 316 E HN 0.492 nan 8.360 nan 0.000 0.506 317 K N 0.833 121.154 120.400 -0.132 0.000 2.202 317 K HA 0.112 4.432 4.320 0.000 0.000 0.201 317 K C 2.316 178.904 176.600 -0.020 0.000 1.051 317 K CA 0.349 56.598 56.287 -0.065 0.000 0.977 317 K CB -0.348 32.104 32.500 -0.079 0.000 0.792 317 K HN 0.022 nan 8.250 nan 0.000 0.469 318 V N 2.141 122.012 119.914 -0.072 0.000 2.407 318 V HA -0.205 3.915 4.120 0.000 0.000 0.248 318 V C 2.291 178.411 176.094 0.043 0.000 1.055 318 V CA 1.738 64.016 62.300 -0.037 0.000 1.049 318 V CB -0.286 31.474 31.823 -0.105 0.000 0.662 318 V HN 0.227 nan 8.190 nan 0.000 0.455 319 E N -0.044 120.157 120.200 0.001 0.000 2.051 319 E HA -0.210 4.140 4.350 0.000 0.000 0.192 319 E C 2.305 178.932 176.600 0.045 0.000 0.991 319 E CA 1.314 57.727 56.400 0.021 0.000 0.799 319 E CB -0.374 29.322 29.700 -0.007 0.000 0.748 319 E HN 0.669 nan 8.360 nan 0.000 0.449 320 Q N -0.758 119.062 119.800 0.034 0.000 2.077 320 Q HA -0.182 4.158 4.340 0.000 0.000 0.206 320 Q C 2.102 178.129 176.000 0.045 0.000 0.989 320 Q CA 1.623 57.438 55.803 0.019 0.000 0.853 320 Q CB -0.320 28.422 28.738 0.007 0.000 0.907 320 Q HN 0.238 nan 8.270 nan 0.000 0.418 321 F N 0.837 120.779 119.950 -0.013 0.000 2.051 321 F HA -0.210 4.317 4.527 0.000 0.000 0.296 321 F C 1.859 177.745 175.800 0.143 0.000 1.122 321 F CA 1.333 59.373 58.000 0.066 0.000 1.201 321 F CB -0.159 38.893 39.000 0.087 0.000 0.978 321 F HN -0.020 nan 8.300 nan 0.000 0.472 322 L N -0.704 120.704 121.223 0.309 0.000 2.127 322 L HA -0.271 4.069 4.340 0.000 0.000 0.211 322 L C 2.407 179.335 176.870 0.097 0.000 1.089 322 L CA 1.382 56.347 54.840 0.209 0.000 0.757 322 L CB -0.739 41.415 42.059 0.158 0.000 0.899 322 L HN 0.144 nan 8.230 nan 0.000 0.434 323 S N -0.137 115.585 115.700 0.036 0.000 2.336 323 S HA -0.126 4.344 4.470 0.000 0.000 0.216 323 S C 1.889 176.454 174.600 -0.059 0.000 1.032 323 S CA 0.867 59.065 58.200 -0.005 0.000 0.973 323 S CB -0.280 62.911 63.200 -0.015 0.000 0.888 323 S HN 0.258 nan 8.310 nan 0.000 0.455 324 I N 1.240 121.704 120.570 -0.176 0.000 2.399 324 I HA -0.168 4.002 4.170 0.000 0.000 0.254 324 I C 1.406 177.336 176.117 -0.311 0.000 1.146 324 I CA 1.464 62.588 61.300 -0.293 0.000 1.412 324 I CB -0.340 37.336 38.000 -0.539 0.000 1.076 324 I HN 0.233 nan 8.210 nan 0.000 0.432 325 F N -0.354 119.520 119.950 -0.127 0.000 2.530 325 F HA 0.148 4.675 4.527 0.000 0.000 0.292 325 F C 1.161 176.942 175.800 -0.032 0.000 1.109 325 F CA 0.478 58.421 58.000 -0.094 0.000 1.450 325 F CB -0.064 38.790 39.000 -0.243 0.000 1.114 325 F HN 0.080 nan 8.300 nan 0.000 0.560 326 N N 1.006 119.788 118.700 0.137 0.000 2.858 326 N HA -0.162 4.579 4.740 0.000 0.000 0.247 326 N C -1.355 174.213 175.510 0.097 0.000 1.092 326 N CA 0.109 53.215 53.050 0.092 0.000 0.675 326 N CB -1.466 37.065 38.487 0.074 0.000 0.959 326 N HN 0.132 nan 8.380 nan 0.000 0.558 327 L N 0.409 121.699 121.223 0.111 0.000 2.309 327 L HA 0.447 4.787 4.340 0.000 0.000 0.282 327 L C 0.475 177.403 176.870 0.097 0.000 1.036 327 L CA -0.904 53.996 54.840 0.100 0.000 0.806 327 L CB 1.319 43.446 42.059 0.114 0.000 1.220 327 L HN 0.229 nan 8.230 nan 0.000 0.429 328 D N 3.798 124.253 120.400 0.093 0.000 2.295 328 D HA 0.239 4.879 4.640 0.000 0.000 0.248 328 D C -1.834 174.526 176.300 0.099 0.000 1.154 328 D CA -1.852 52.199 54.000 0.085 0.000 0.857 328 D CB 1.723 42.569 40.800 0.077 0.000 1.117 328 D HN 0.148 nan 8.370 nan 0.000 0.468 329 P HA -0.156 nan 4.420 nan 0.000 0.216 329 P C 0.762 178.112 177.300 0.084 0.000 1.153 329 P CA 0.976 64.126 63.100 0.082 0.000 0.858 329 P CB 0.225 31.956 31.700 0.053 0.000 0.789 330 E N -1.027 119.214 120.200 0.069 0.000 2.472 330 E HA -0.038 4.313 4.350 0.000 0.000 0.200 330 E C 0.263 176.911 176.600 0.080 0.000 1.046 330 E CA 0.720 57.156 56.400 0.060 0.000 0.871 330 E CB -1.051 28.676 29.700 0.044 0.000 0.806 330 E HN 0.262 nan 8.360 nan 0.000 0.533 331 T N 2.074 116.700 114.554 0.120 0.000 2.871 331 T HA 0.087 4.437 4.350 0.000 0.000 0.296 331 T C 0.715 175.529 174.700 0.190 0.000 0.998 331 T CA 0.305 62.501 62.100 0.158 0.000 1.162 331 T CB 0.369 69.362 68.868 0.208 0.000 0.947 331 T HN -0.008 nan 8.240 nan 0.000 0.536 332 I N 5.429 126.068 120.570 0.116 0.000 2.353 332 I HA 0.538 4.709 4.170 0.000 0.000 0.293 332 I C -0.183 175.969 176.117 0.058 0.000 0.992 332 I CA -0.761 60.558 61.300 0.032 0.000 1.268 332 I CB 0.813 38.800 38.000 -0.022 0.000 1.387 332 I HN 0.606 nan 8.210 nan 0.000 0.478 333 F N 3.658 123.575 119.950 -0.055 0.000 2.626 333 F HA 0.757 5.284 4.527 0.000 0.000 0.311 333 F C -1.407 174.331 175.800 -0.104 0.000 1.088 333 F CA -1.083 56.798 58.000 -0.198 0.000 0.949 333 F CB 1.452 40.254 39.000 -0.330 0.000 1.322 333 F HN 0.268 nan 8.300 nan 0.000 0.461 334 D N 1.169 121.574 120.400 0.009 0.000 2.601 334 D HA 0.636 5.276 4.640 0.000 0.000 0.230 334 D C -1.714 174.683 176.300 0.162 0.000 1.106 334 D CA -0.361 53.654 54.000 0.025 0.000 0.873 334 D CB 2.281 43.073 40.800 -0.014 0.000 1.515 334 D HN 0.758 nan 8.370 nan 0.000 0.468 335 L N 2.422 123.734 121.223 0.148 0.000 2.333 335 L HA 0.490 4.831 4.340 0.000 0.000 0.280 335 L C -0.182 176.823 176.870 0.225 0.000 1.004 335 L CA -0.888 54.057 54.840 0.175 0.000 0.820 335 L CB 1.755 43.750 42.059 -0.106 0.000 1.247 335 L HN 0.285 nan 8.230 nan 0.000 0.416 336 K N 5.097 125.678 120.400 0.301 0.000 2.394 336 K HA 0.507 4.827 4.320 0.000 0.000 0.260 336 K C -2.662 174.077 176.600 0.232 0.000 0.967 336 K CA -1.697 54.723 56.287 0.221 0.000 0.855 336 K CB 2.066 34.648 32.500 0.136 0.000 1.101 336 K HN 0.134 nan 8.250 nan 0.000 0.433 337 P HA -0.058 nan 4.420 nan 0.000 0.268 337 P C -0.012 177.231 177.300 -0.096 0.000 1.208 337 P CA 0.016 63.051 63.100 -0.108 0.000 0.777 337 P CB 0.537 32.194 31.700 -0.072 0.000 0.875 338 L N 1.030 122.144 121.223 -0.181 0.000 2.607 338 L HA 0.218 4.558 4.340 0.000 0.000 0.228 338 L C 0.248 177.071 176.870 -0.078 0.000 1.123 338 L CA 0.404 55.186 54.840 -0.097 0.000 0.890 338 L CB -0.544 41.454 42.059 -0.101 0.000 1.103 338 L HN 0.575 nan 8.230 nan 0.000 0.468 339 D N -4.435 115.912 120.400 -0.088 0.000 2.720 339 D HA 0.130 4.770 4.640 0.000 0.000 0.239 339 D C -2.488 173.785 176.300 -0.045 0.000 1.218 339 D CA -1.092 52.876 54.000 -0.053 0.000 0.748 339 D CB 1.133 41.905 40.800 -0.047 0.000 1.387 339 D HN -0.349 nan 8.370 nan 0.000 0.438 340 P HA -0.162 nan 4.420 nan 0.000 0.217 340 P C 1.151 178.460 177.300 0.015 0.000 1.148 340 P CA 1.463 64.564 63.100 0.002 0.000 0.834 340 P CB 0.105 31.812 31.700 0.012 0.000 0.783 341 T N -0.851 113.709 114.554 0.011 0.000 2.833 341 T HA -0.047 4.303 4.350 0.000 0.000 0.269 341 T C 0.822 175.536 174.700 0.023 0.000 1.054 341 T CA 0.636 62.757 62.100 0.035 0.000 1.135 341 T CB -0.559 68.317 68.868 0.015 0.000 0.869 341 T HN -0.110 nan 8.240 nan 0.000 0.466 342 V N 2.590 122.475 119.914 -0.047 0.000 2.521 342 V HA 0.172 4.292 4.120 0.000 0.000 0.286 342 V C 0.223 176.294 176.094 -0.038 0.000 1.034 342 V CA -0.231 62.001 62.300 -0.114 0.000 1.045 342 V CB 0.756 32.373 31.823 -0.343 0.000 0.974 342 V HN 0.205 nan 8.190 nan 0.000 0.480 343 K N 4.586 125.017 120.400 0.052 0.000 2.235 343 K HA 0.502 4.822 4.320 0.000 0.000 0.266 343 K C -0.745 175.996 176.600 0.235 0.000 0.980 343 K CA -0.686 55.671 56.287 0.116 0.000 0.849 343 K CB 1.617 34.180 32.500 0.105 0.000 1.098 343 K HN 0.502 nan 8.250 nan 0.000 0.445 344 V N 6.749 126.805 119.914 0.237 0.000 2.617 344 V HA -0.022 4.098 4.120 0.000 0.000 0.304 344 V C -1.552 174.483 176.094 -0.099 0.000 1.040 344 V CA -0.976 61.413 62.300 0.149 0.000 1.149 344 V CB 0.724 32.544 31.823 -0.005 0.000 0.914 344 V HN 0.863 nan 8.190 nan 0.000 0.487 345 P HA -0.050 nan 4.420 nan 0.000 0.215 345 P C -0.131 177.002 177.300 -0.278 0.000 1.157 345 P CA 1.382 64.288 63.100 -0.323 0.000 0.868 345 P CB 0.122 31.532 31.700 -0.482 0.000 0.788 346 F N -5.601 114.220 119.950 -0.215 0.000 2.726 346 F HA 0.734 5.261 4.527 0.000 0.000 0.324 346 F C -3.130 172.480 175.800 -0.317 0.000 1.140 346 F CA -3.696 54.057 58.000 -0.413 0.000 0.964 346 F CB -0.802 37.603 39.000 -0.992 0.000 1.399 346 F HN -0.445 nan 8.300 nan 0.000 0.491 347 P HA 0.285 nan 4.420 nan 0.000 0.267 347 P C -0.744 176.663 177.300 0.178 0.000 1.205 347 P CA 0.237 63.380 63.100 0.070 0.000 0.765 347 P CB 0.746 32.496 31.700 0.082 0.000 0.828 348 T N 0.727 115.323 114.554 0.069 0.000 2.883 348 T HA 0.659 5.009 4.350 0.000 0.000 0.301 348 T C -2.931 171.762 174.700 -0.011 0.000 1.158 348 T CA -2.470 59.647 62.100 0.028 0.000 1.007 348 T CB 1.033 69.902 68.868 0.002 0.000 1.186 348 T HN -0.036 nan 8.240 nan 0.000 0.499 349 P HA 0.570 nan 4.420 nan 0.000 0.273 349 P C -0.381 176.808 177.300 -0.186 0.000 1.250 349 P CA -0.141 62.865 63.100 -0.158 0.000 0.793 349 P CB 0.628 32.245 31.700 -0.138 0.000 1.011 350 T N -1.717 112.586 114.554 -0.418 0.000 2.711 350 T HA 0.539 4.889 4.350 0.000 0.000 0.302 350 T C -1.222 173.210 174.700 -0.448 0.000 1.373 350 T CA -0.491 61.424 62.100 -0.308 0.000 1.000 350 T CB 0.557 69.359 68.868 -0.111 0.000 1.483 350 T HN 0.518 nan 8.240 nan 0.000 0.499 351 T N 0.293 114.741 114.554 -0.175 0.000 2.928 351 T HA 0.556 4.906 4.350 0.000 0.000 0.284 351 T C 1.726 176.547 174.700 0.202 0.000 1.008 351 T CA -0.774 61.322 62.100 -0.006 0.000 1.057 351 T CB 0.643 69.516 68.868 0.009 0.000 1.018 351 T HN 0.519 nan 8.240 nan 0.000 0.493 352 I N 1.723 122.526 120.570 0.388 0.000 2.163 352 I HA -0.063 4.107 4.170 0.000 0.000 0.243 352 I C 2.765 178.984 176.117 0.170 0.000 1.085 352 I CA 1.746 63.282 61.300 0.394 0.000 1.347 352 I CB -0.719 37.443 38.000 0.270 0.000 1.044 352 I HN 0.965 nan 8.210 nan 0.000 0.408 353 G N 0.047 108.907 108.800 0.099 0.000 2.470 353 G HA2 -0.154 3.806 3.960 0.000 0.000 0.220 353 G HA3 -0.154 3.806 3.960 0.000 0.000 0.220 353 G C 1.722 176.587 174.900 -0.059 0.000 1.121 353 G CA 0.795 45.908 45.100 0.021 0.000 0.766 353 G HN 0.511 nan 8.290 nan 0.000 0.553 354 A N 0.769 123.552 122.820 -0.061 0.000 1.935 354 A HA 0.535 4.855 4.320 0.000 0.000 0.214 354 A C 2.723 180.090 177.584 -0.362 0.000 1.178 354 A CA 1.582 53.530 52.037 -0.148 0.000 0.640 354 A CB -0.499 18.417 19.000 -0.140 0.000 0.825 354 A HN 0.562 nan 8.150 nan 0.000 0.447 355 A N 0.173 122.856 122.820 -0.228 0.000 1.898 355 A HA -0.027 4.293 4.320 0.000 0.000 0.216 355 A C 1.980 179.422 177.584 -0.235 0.000 1.181 355 A CA 1.462 53.346 52.037 -0.255 0.000 0.620 355 A CB -0.564 18.435 19.000 -0.001 0.000 0.819 355 A HN 0.460 nan 8.150 nan 0.000 0.442 356 I N -0.980 119.480 120.570 -0.184 0.000 2.830 356 I HA -0.125 4.045 4.170 0.000 0.000 0.263 356 I C 2.354 178.293 176.117 -0.296 0.000 1.230 356 I CA 1.346 62.489 61.300 -0.262 0.000 1.480 356 I CB -0.039 37.862 38.000 -0.165 0.000 1.095 356 I HN 0.386 nan 8.210 nan 0.000 0.455 357 K N -0.223 119.970 120.400 -0.345 0.000 2.313 357 K HA 0.011 4.332 4.320 0.000 0.000 0.197 357 K C 1.493 177.723 176.600 -0.617 0.000 1.061 357 K CA 0.635 56.632 56.287 -0.484 0.000 0.980 357 K CB 0.380 32.520 32.500 -0.600 0.000 0.888 357 K HN 0.335 nan 8.250 nan 0.000 0.502 358 H N -1.815 117.051 119.070 -0.340 0.000 3.058 358 H HA 0.129 4.685 4.556 0.000 0.000 0.266 358 H C 0.392 175.616 175.328 -0.175 0.000 1.135 358 H CA 0.061 55.910 56.048 -0.332 0.000 1.174 358 H CB 0.616 30.045 29.762 -0.554 0.000 1.581 358 H HN 0.216 nan 8.280 nan 0.000 0.553 359 Y N 0.025 120.282 120.300 -0.071 0.000 2.512 359 Y HA 0.292 4.842 4.550 0.000 0.000 0.268 359 Y C 0.622 176.485 175.900 -0.062 0.000 1.102 359 Y CA -0.153 57.887 58.100 -0.100 0.000 1.261 359 Y CB 1.609 39.803 38.460 -0.442 0.000 1.250 359 Y HN -0.147 nan 8.280 nan 0.000 0.506 360 L N 1.366 122.598 121.223 0.015 0.000 2.325 360 L HA 0.329 4.669 4.340 0.000 0.000 0.278 360 L C -0.027 176.774 176.870 -0.115 0.000 1.023 360 L CA -0.783 54.021 54.840 -0.061 0.000 0.811 360 L CB 1.388 43.347 42.059 -0.167 0.000 1.249 360 L HN -0.015 nan 8.230 nan 0.000 0.431 361 E N 3.770 123.919 120.200 -0.085 0.000 1.852 361 E HA 0.059 4.409 4.350 0.000 0.000 0.276 361 E C 1.073 177.612 176.600 -0.101 0.000 1.163 361 E CA -0.089 56.267 56.400 -0.074 0.000 1.117 361 E CB 0.385 30.059 29.700 -0.043 0.000 1.124 361 E HN 0.571 nan 8.360 nan 0.000 0.458 362 I N -1.521 118.937 120.570 -0.187 0.000 3.176 362 I HA -0.007 4.163 4.170 0.000 0.000 0.275 362 I C 0.901 177.009 176.117 -0.015 0.000 1.298 362 I CA 0.480 61.659 61.300 -0.202 0.000 1.445 362 I CB 0.206 37.902 38.000 -0.506 0.000 1.075 362 I HN -0.060 nan 8.210 nan 0.000 0.482 363 T N 0.972 115.518 114.554 -0.014 0.000 2.888 363 T HA 0.714 5.064 4.350 0.000 0.000 0.284 363 T C -0.152 174.575 174.700 0.045 0.000 1.017 363 T CA 0.467 62.586 62.100 0.030 0.000 1.022 363 T CB 1.388 70.268 68.868 0.019 0.000 1.013 363 T HN 0.778 nan 8.240 nan 0.000 0.465 364 G N 3.745 112.587 108.800 0.070 0.000 2.381 364 G HA2 0.071 4.031 3.960 0.000 0.000 0.672 364 G HA3 0.071 4.031 3.960 0.000 0.000 0.672 364 G C -3.204 171.746 174.900 0.083 0.000 1.324 364 G CA -1.278 43.869 45.100 0.079 0.000 0.975 364 G HN 0.687 nan 8.290 nan 0.000 0.593 365 P HA 0.339 nan 4.420 nan 0.000 0.262 365 P C 0.273 177.619 177.300 0.076 0.000 1.182 365 P CA -0.276 62.857 63.100 0.056 0.000 0.761 365 P CB 0.815 32.547 31.700 0.053 0.000 0.795 366 V N 3.499 123.463 119.914 0.083 0.000 2.488 366 V HA 0.108 4.228 4.120 0.000 0.000 0.277 366 V C 0.943 177.140 176.094 0.172 0.000 1.046 366 V CA -0.058 62.314 62.300 0.120 0.000 0.986 366 V CB 0.969 32.863 31.823 0.118 0.000 0.989 366 V HN 0.589 nan 8.190 nan 0.000 0.475 367 S N 4.242 120.009 115.700 0.112 0.000 2.576 367 S HA 0.190 4.660 4.470 0.000 0.000 0.276 367 S C 1.241 175.802 174.600 -0.064 0.000 1.339 367 S CA -0.315 57.934 58.200 0.080 0.000 1.039 367 S CB 0.611 63.836 63.200 0.042 0.000 0.902 367 S HN 0.755 nan 8.310 nan 0.000 0.516 368 R N 1.349 121.661 120.500 -0.312 0.000 2.148 368 R HA -0.083 4.257 4.340 0.000 0.000 0.227 368 R C 2.106 178.256 176.300 -0.250 0.000 1.103 368 R CA 1.409 57.003 56.100 -0.843 0.000 0.983 368 R CB -0.233 29.533 30.300 -0.891 0.000 0.874 368 R HN 0.719 nan 8.270 nan 0.000 0.451 369 Q N 0.792 120.580 119.800 -0.020 0.000 2.170 369 Q HA -0.116 4.224 4.340 0.000 0.000 0.203 369 Q C 1.840 177.932 176.000 0.153 0.000 0.976 369 Q CA 1.255 57.123 55.803 0.109 0.000 0.858 369 Q CB -0.285 28.575 28.738 0.203 0.000 0.907 369 Q HN 0.405 nan 8.270 nan 0.000 0.433 370 L N -0.733 120.581 121.223 0.152 0.000 2.046 370 L HA -0.173 4.167 4.340 0.000 0.000 0.208 370 L C 1.963 179.082 176.870 0.414 0.000 1.077 370 L CA 1.516 56.505 54.840 0.249 0.000 0.747 370 L CB -0.403 41.800 42.059 0.241 0.000 0.896 370 L HN 0.367 nan 8.230 nan 0.000 0.432 371 F N -0.504 119.526 119.950 0.134 0.000 2.069 371 F HA -0.335 4.192 4.527 0.000 0.000 0.298 371 F C 3.050 178.936 175.800 0.143 0.000 1.113 371 F CA 1.304 59.399 58.000 0.159 0.000 1.214 371 F CB -0.281 38.815 39.000 0.159 0.000 0.978 371 F HN 0.199 nan 8.300 nan 0.000 0.474 372 S N -0.308 115.568 115.700 0.294 0.000 2.365 372 S HA -0.224 4.246 4.470 0.000 0.000 0.225 372 S C 2.105 176.819 174.600 0.190 0.000 1.039 372 S CA 1.981 60.293 58.200 0.187 0.000 1.033 372 S CB -0.498 62.785 63.200 0.137 0.000 0.887 372 S HN 0.288 nan 8.310 nan 0.000 0.447 373 S N 0.936 116.792 115.700 0.260 0.000 2.447 373 S HA 0.137 4.607 4.470 0.000 0.000 0.233 373 S C 1.537 176.348 174.600 0.351 0.000 1.006 373 S CA 0.746 59.155 58.200 0.348 0.000 0.957 373 S CB -0.282 63.194 63.200 0.462 0.000 0.773 373 S HN 0.468 nan 8.310 nan 0.000 0.507 374 L N 0.795 122.206 121.223 0.313 0.000 2.554 374 L HA 0.179 4.519 4.340 0.000 0.000 0.226 374 L C 1.662 178.628 176.870 0.159 0.000 1.137 374 L CA 0.204 55.192 54.840 0.247 0.000 0.863 374 L CB -0.329 41.875 42.059 0.240 0.000 0.985 374 L HN 0.313 nan 8.230 nan 0.000 0.451 375 I N -0.378 120.236 120.570 0.072 0.000 2.264 375 I HA -0.339 3.831 4.170 0.000 0.000 0.248 375 I C 2.363 178.390 176.117 -0.151 0.000 1.111 375 I CA 1.356 62.651 61.300 -0.009 0.000 1.382 375 I CB -0.295 37.698 38.000 -0.011 0.000 1.060 375 I HN 0.407 nan 8.210 nan 0.000 0.418 376 Q N 0.344 119.938 119.800 -0.344 0.000 2.135 376 Q HA -0.179 4.161 4.340 0.000 0.000 0.204 376 Q C 0.993 176.485 176.000 -0.847 0.000 0.981 376 Q CA 1.582 56.949 55.803 -0.727 0.000 0.856 376 Q CB -0.127 27.828 28.738 -1.305 0.000 0.902 376 Q HN 0.507 nan 8.270 nan 0.000 0.425 377 F N -0.197 119.693 119.950 -0.100 0.000 2.837 377 F HA 0.418 4.945 4.527 0.000 0.000 0.298 377 F C 0.344 176.131 175.800 -0.022 0.000 1.161 377 F CA -0.817 57.139 58.000 -0.074 0.000 1.353 377 F CB -0.028 38.895 39.000 -0.128 0.000 0.951 377 F HN -0.145 nan 8.300 nan 0.000 0.508 378 A N 1.219 124.033 122.820 -0.009 0.000 2.520 378 A HA 0.222 4.542 4.320 0.000 0.000 0.245 378 A C -1.236 176.134 177.584 -0.358 0.000 1.072 378 A CA -0.895 51.016 52.037 -0.210 0.000 0.761 378 A CB 0.073 18.968 19.000 -0.174 0.000 1.004 378 A HN 0.194 nan 8.150 nan 0.000 0.499 379 P HA -0.128 nan 4.420 nan 0.000 0.216 379 P C 0.127 177.225 177.300 -0.338 0.000 1.150 379 P CA 1.826 64.597 63.100 -0.548 0.000 0.843 379 P CB 0.049 31.236 31.700 -0.854 0.000 0.787 380 N N -4.112 114.392 118.700 -0.327 0.000 2.825 380 N HA 0.331 5.071 4.740 0.000 0.000 0.253 380 N C 0.417 175.821 175.510 -0.177 0.000 1.426 380 N CA -0.287 52.636 53.050 -0.212 0.000 0.851 380 N CB 0.948 39.321 38.487 -0.191 0.000 1.470 380 N HN -0.220 nan 8.380 nan 0.000 0.517 381 A N 0.173 122.917 122.820 -0.128 0.000 1.948 381 A HA -0.258 4.062 4.320 0.000 0.000 0.220 381 A C 1.632 179.159 177.584 -0.096 0.000 1.177 381 A CA 2.097 54.074 52.037 -0.101 0.000 0.636 381 A CB -0.739 18.214 19.000 -0.077 0.000 0.815 381 A HN 0.818 nan 8.150 nan 0.000 0.449 382 D N -0.081 120.256 120.400 -0.105 0.000 2.095 382 D HA -0.133 4.507 4.640 0.000 0.000 0.192 382 D C 2.075 178.314 176.300 -0.102 0.000 0.990 382 D CA 1.946 55.890 54.000 -0.093 0.000 0.836 382 D CB -0.404 40.336 40.800 -0.100 0.000 0.979 382 D HN 0.154 nan 8.370 nan 0.000 0.447 383 V N 1.308 121.131 119.914 -0.152 0.000 2.317 383 V HA -0.272 3.848 4.120 0.000 0.000 0.251 383 V C 2.667 178.692 176.094 -0.114 0.000 1.065 383 V CA 2.184 64.386 62.300 -0.164 0.000 1.049 383 V CB -0.637 30.984 31.823 -0.337 0.000 0.651 383 V HN 0.302 nan 8.190 nan 0.000 0.450 384 K N -0.282 120.039 120.400 -0.132 0.000 2.113 384 K HA -0.295 4.025 4.320 0.000 0.000 0.208 384 K C 2.136 178.711 176.600 -0.041 0.000 1.047 384 K CA 2.059 58.295 56.287 -0.085 0.000 0.928 384 K CB -0.063 32.379 32.500 -0.098 0.000 0.716 384 K HN 0.462 nan 8.250 nan 0.000 0.446 385 E N 1.000 121.177 120.200 -0.039 0.000 2.033 385 E HA -0.116 4.234 4.350 0.000 0.000 0.189 385 E C 1.827 178.437 176.600 0.018 0.000 0.979 385 E CA 1.223 57.616 56.400 -0.011 0.000 0.802 385 E CB -0.057 29.634 29.700 -0.015 0.000 0.763 385 E HN 0.038 nan 8.360 nan 0.000 0.449 386 K N 0.557 120.966 120.400 0.015 0.000 2.044 386 K HA -0.161 4.159 4.320 0.000 0.000 0.210 386 K C 2.308 178.964 176.600 0.093 0.000 1.049 386 K CA 1.183 57.503 56.287 0.055 0.000 0.927 386 K CB -0.824 31.696 32.500 0.032 0.000 0.713 386 K HN 0.273 nan 8.250 nan 0.000 0.443 387 L N 0.662 121.911 121.223 0.043 0.000 1.971 387 L HA -0.258 4.082 4.340 0.000 0.000 0.215 387 L C 2.295 179.221 176.870 0.094 0.000 1.072 387 L CA 1.948 56.791 54.840 0.005 0.000 0.758 387 L CB -0.651 41.389 42.059 -0.032 0.000 0.889 387 L HN 0.268 nan 8.230 nan 0.000 0.433 388 T N 0.191 114.784 114.554 0.066 0.000 2.653 388 T HA -0.253 4.097 4.350 0.000 0.000 0.268 388 T C 1.773 176.536 174.700 0.106 0.000 1.035 388 T CA 1.733 63.877 62.100 0.072 0.000 1.154 388 T CB -0.282 68.607 68.868 0.036 0.000 0.862 388 T HN 0.084 nan 8.240 nan 0.000 0.441 389 L N 0.482 121.772 121.223 0.111 0.000 1.989 389 L HA -0.018 4.322 4.340 0.000 0.000 0.211 389 L C 2.449 179.432 176.870 0.188 0.000 1.071 389 L CA 1.538 56.455 54.840 0.127 0.000 0.749 389 L CB -0.926 41.203 42.059 0.118 0.000 0.890 389 L HN 0.266 nan 8.230 nan 0.000 0.431 390 L N -0.853 120.540 121.223 0.284 0.000 2.079 390 L HA -0.246 4.095 4.340 0.000 0.000 0.210 390 L C 2.650 179.748 176.870 0.379 0.000 1.081 390 L CA 1.529 56.633 54.840 0.440 0.000 0.752 390 L CB -0.795 41.701 42.059 0.728 0.000 0.896 390 L HN 0.484 nan 8.230 nan 0.000 0.433 391 S N -0.436 115.462 115.700 0.329 0.000 2.442 391 S HA -0.176 4.294 4.470 0.000 0.000 0.236 391 S C 1.822 176.460 174.600 0.063 0.000 1.007 391 S CA 0.976 59.278 58.200 0.169 0.000 0.965 391 S CB -0.148 63.169 63.200 0.196 0.000 0.773 391 S HN 0.461 nan 8.310 nan 0.000 0.504 392 K N 0.539 120.996 120.400 0.095 0.000 2.276 392 K HA 0.196 4.516 4.320 0.000 0.000 0.198 392 K C -0.019 176.623 176.600 0.069 0.000 1.052 392 K CA 0.522 56.847 56.287 0.064 0.000 0.984 392 K CB -0.037 32.500 32.500 0.062 0.000 0.836 392 K HN 0.338 nan 8.250 nan 0.000 0.490 393 D N 1.974 122.439 120.400 0.107 0.000 2.411 393 D HA 0.014 4.654 4.640 0.000 0.000 0.225 393 D C 0.924 177.306 176.300 0.136 0.000 1.156 393 D CA -0.072 53.996 54.000 0.113 0.000 0.874 393 D CB 0.871 41.747 40.800 0.128 0.000 1.034 393 D HN -0.020 nan 8.370 nan 0.000 0.502 394 K N 3.057 123.515 120.400 0.097 0.000 2.034 394 K HA -0.253 4.067 4.320 0.000 0.000 0.214 394 K C 0.624 177.316 176.600 0.153 0.000 1.051 394 K CA 1.753 58.103 56.287 0.106 0.000 0.931 394 K CB 0.125 32.669 32.500 0.074 0.000 0.715 394 K HN 0.471 nan 8.250 nan 0.000 0.446 395 D N -0.020 120.449 120.400 0.115 0.000 2.123 395 D HA -0.170 4.470 4.640 0.000 0.000 0.200 395 D C 2.084 178.445 176.300 0.102 0.000 0.976 395 D CA 1.085 55.142 54.000 0.095 0.000 0.831 395 D CB -0.184 40.656 40.800 0.065 0.000 0.974 395 D HN 0.475 nan 8.370 nan 0.000 0.469 396 Q N -0.051 119.824 119.800 0.125 0.000 2.135 396 Q HA -0.192 4.149 4.340 0.000 0.000 0.204 396 Q C 2.099 178.190 176.000 0.151 0.000 0.981 396 Q CA 0.976 56.855 55.803 0.128 0.000 0.856 396 Q CB -0.264 28.564 28.738 0.150 0.000 0.902 396 Q HN 0.186 nan 8.270 nan 0.000 0.425 397 F N 0.676 120.657 119.950 0.051 0.000 2.134 397 F HA -0.136 4.392 4.527 0.000 0.000 0.299 397 F C 2.050 177.818 175.800 -0.053 0.000 1.097 397 F CA 1.569 59.581 58.000 0.020 0.000 1.264 397 F CB -0.575 38.422 39.000 -0.005 0.000 1.001 397 F HN 0.179 nan 8.300 nan 0.000 0.479 398 A N -0.431 122.394 122.820 0.008 0.000 1.933 398 A HA -0.100 4.220 4.320 0.000 0.000 0.218 398 A C 2.319 179.783 177.584 -0.201 0.000 1.175 398 A CA 1.852 53.816 52.037 -0.122 0.000 0.628 398 A CB -1.308 17.688 19.000 -0.006 0.000 0.814 398 A HN 0.278 nan 8.150 nan 0.000 0.444 399 V N -0.006 119.838 119.914 -0.117 0.000 2.270 399 V HA -0.224 3.896 4.120 0.000 0.000 0.245 399 V C 2.419 178.397 176.094 -0.193 0.000 1.043 399 V CA 2.253 64.484 62.300 -0.115 0.000 1.014 399 V CB -0.697 31.108 31.823 -0.030 0.000 0.645 399 V HN 0.630 nan 8.190 nan 0.000 0.447 400 E N -0.892 119.204 120.200 -0.173 0.000 2.158 400 E HA -0.089 4.261 4.350 0.000 0.000 0.191 400 E C 1.788 178.060 176.600 -0.548 0.000 0.982 400 E CA 1.116 57.377 56.400 -0.231 0.000 0.823 400 E CB 0.133 29.879 29.700 0.077 0.000 0.766 400 E HN 0.503 nan 8.360 nan 0.000 0.468 401 I N -0.569 119.629 120.570 -0.620 0.000 3.523 401 I HA -0.083 4.087 4.170 0.000 0.000 0.244 401 I C 2.185 177.814 176.117 -0.814 0.000 1.110 401 I CA 0.699 61.530 61.300 -0.782 0.000 1.517 401 I CB -0.587 36.861 38.000 -0.919 0.000 1.505 401 I HN -0.128 nan 8.210 nan 0.000 0.460 402 T N 1.132 115.236 114.554 -0.750 0.000 2.597 402 T HA -0.247 4.103 4.350 0.000 0.000 0.267 402 T C 1.985 176.368 174.700 -0.529 0.000 1.053 402 T CA 2.493 64.281 62.100 -0.521 0.000 1.165 402 T CB -0.712 67.952 68.868 -0.340 0.000 0.863 402 T HN 0.491 nan 8.240 nan 0.000 0.427 403 S N 1.615 117.056 115.700 -0.432 0.000 2.440 403 S HA -0.114 4.356 4.470 0.000 0.000 0.238 403 S C 1.623 176.068 174.600 -0.260 0.000 1.010 403 S CA 1.015 59.019 58.200 -0.325 0.000 0.972 403 S CB -0.449 62.632 63.200 -0.199 0.000 0.774 403 S HN 0.545 nan 8.310 nan 0.000 0.501 404 K N -0.128 119.996 120.400 -0.459 0.000 2.404 404 K HA 0.197 4.517 4.320 0.000 0.000 0.194 404 K C -0.770 175.747 176.600 -0.139 0.000 1.023 404 K CA -0.173 55.865 56.287 -0.416 0.000 1.094 404 K CB -0.223 31.630 32.500 -1.078 0.000 0.841 404 K HN 0.339 nan 8.250 nan 0.000 0.523 405 Y N -0.240 119.903 120.300 -0.262 0.000 3.234 405 Y HA -0.268 4.282 4.550 0.000 0.000 0.207 405 Y C -0.195 175.761 175.900 0.094 0.000 1.316 405 Y CA 0.078 58.145 58.100 -0.056 0.000 1.309 405 Y CB -2.819 35.650 38.460 0.014 0.000 1.408 405 Y HN 0.103 nan 8.280 nan 0.000 0.544 406 F N 0.458 120.393 119.950 -0.025 0.000 2.406 406 F HA 0.251 4.778 4.527 0.000 0.000 0.327 406 F C 1.038 176.841 175.800 0.005 0.000 1.153 406 F CA -0.822 57.165 58.000 -0.021 0.000 1.218 406 F CB 0.708 39.661 39.000 -0.077 0.000 1.215 406 F HN 0.110 nan 8.300 nan 0.000 0.570 407 N N 1.207 120.030 118.700 0.204 0.000 2.483 407 N HA 0.337 5.077 4.740 0.000 0.000 0.285 407 N C 1.089 176.669 175.510 0.115 0.000 1.210 407 N CA -0.545 52.587 53.050 0.135 0.000 0.931 407 N CB 1.563 40.112 38.487 0.102 0.000 1.220 407 N HN 0.515 nan 8.380 nan 0.000 0.542 408 I N 1.138 121.799 120.570 0.151 0.000 2.113 408 I HA -0.379 3.791 4.170 0.000 0.000 0.242 408 I C 2.276 178.371 176.117 -0.035 0.000 1.057 408 I CA 1.907 63.291 61.300 0.139 0.000 1.314 408 I CB -0.380 37.788 38.000 0.279 0.000 1.022 408 I HN 0.621 nan 8.210 nan 0.000 0.408 409 A N 0.689 123.491 122.820 -0.031 0.000 1.884 409 A HA -0.316 4.004 4.320 0.000 0.000 0.219 409 A C 1.971 179.404 177.584 -0.252 0.000 1.197 409 A CA 2.543 54.460 52.037 -0.200 0.000 0.637 409 A CB -0.833 18.133 19.000 -0.056 0.000 0.827 409 A HN 0.481 nan 8.150 nan 0.000 0.450 410 D N -0.086 120.175 120.400 -0.232 0.000 2.084 410 D HA -0.045 4.595 4.640 0.000 0.000 0.196 410 D C 2.354 178.273 176.300 -0.636 0.000 0.985 410 D CA 1.523 55.221 54.000 -0.505 0.000 0.826 410 D CB -0.782 39.664 40.800 -0.590 0.000 0.978 410 D HN 0.442 nan 8.370 nan 0.000 0.456 411 A N 1.859 124.503 122.820 -0.294 0.000 1.859 411 A HA -0.215 4.105 4.320 0.000 0.000 0.218 411 A C 2.505 180.168 177.584 0.132 0.000 1.209 411 A CA 1.589 53.719 52.037 0.155 0.000 0.639 411 A CB -1.136 18.114 19.000 0.417 0.000 0.835 411 A HN 0.214 nan 8.150 nan 0.000 0.450 412 L N -0.771 120.376 121.223 -0.126 0.000 2.013 412 L HA -0.247 4.093 4.340 0.000 0.000 0.212 412 L C 2.700 179.560 176.870 -0.017 0.000 1.073 412 L CA 2.216 56.816 54.840 -0.400 0.000 0.753 412 L CB -0.687 40.638 42.059 -1.223 0.000 0.890 412 L HN 0.532 nan 8.230 nan 0.000 0.432 413 K N -0.426 119.905 120.400 -0.114 0.000 2.211 413 K HA -0.239 4.081 4.320 0.000 0.000 0.203 413 K C 2.260 178.876 176.600 0.026 0.000 1.050 413 K CA 1.238 57.510 56.287 -0.025 0.000 0.945 413 K CB -0.142 32.286 32.500 -0.121 0.000 0.732 413 K HN 0.230 nan 8.250 nan 0.000 0.451 414 Y N 1.089 121.323 120.300 -0.111 0.000 2.163 414 Y HA -0.126 4.424 4.550 0.000 0.000 0.288 414 Y C 1.593 177.552 175.900 0.097 0.000 1.136 414 Y CA 1.328 59.417 58.100 -0.019 0.000 1.147 414 Y CB -0.174 38.297 38.460 0.019 0.000 0.987 414 Y HN -0.041 nan 8.280 nan 0.000 0.509 415 L N -0.935 120.289 121.223 0.001 0.000 2.109 415 L HA -0.153 4.187 4.340 0.000 0.000 0.207 415 L C 2.362 179.215 176.870 -0.028 0.000 1.086 415 L CA 1.456 56.264 54.840 -0.053 0.000 0.760 415 L CB -0.549 41.633 42.059 0.206 0.000 0.910 415 L HN 0.128 nan 8.230 nan 0.000 0.437 416 S N -1.429 114.335 115.700 0.106 0.000 2.496 416 S HA -0.080 4.390 4.470 0.000 0.000 0.224 416 S C 0.351 174.908 174.600 -0.072 0.000 0.996 416 S CA 0.148 58.329 58.200 -0.032 0.000 0.927 416 S CB -0.037 63.178 63.200 0.024 0.000 0.774 416 S HN 0.395 nan 8.310 nan 0.000 0.524 417 D N -0.108 120.257 120.400 -0.057 0.000 2.870 417 D HA -0.170 4.470 4.640 0.000 0.000 0.228 417 D C 0.903 177.179 176.300 -0.039 0.000 1.147 417 D CA 1.006 54.969 54.000 -0.061 0.000 0.757 417 D CB -1.435 39.319 40.800 -0.078 0.000 1.091 417 D HN 0.626 nan 8.370 nan 0.000 0.429 418 G N -0.632 108.157 108.800 -0.019 0.000 2.313 418 G HA2 -0.164 3.796 3.960 0.000 0.000 0.215 418 G HA3 -0.164 3.796 3.960 0.000 0.000 0.215 418 G C 0.559 175.443 174.900 -0.027 0.000 1.023 418 G CA 0.436 45.525 45.100 -0.019 0.000 0.626 418 G HN 1.289 nan 8.290 nan 0.000 0.503 419 A N 1.677 124.458 122.820 -0.066 0.000 2.573 419 A HA 0.429 4.749 4.320 0.000 0.000 0.250 419 A C 0.792 178.307 177.584 -0.114 0.000 1.049 419 A CA 1.140 53.103 52.037 -0.122 0.000 0.767 419 A CB -0.025 18.850 19.000 -0.209 0.000 0.965 419 A HN 0.562 nan 8.150 nan 0.000 0.514 420 K N 1.614 121.973 120.400 -0.068 0.000 2.258 420 K HA 0.092 4.412 4.320 0.000 0.000 0.264 420 K C -0.889 175.694 176.600 -0.028 0.000 1.007 420 K CA 0.261 56.560 56.287 0.020 0.000 0.941 420 K CB 0.552 33.064 32.500 0.019 0.000 0.966 420 K HN 0.765 nan 8.250 nan 0.000 0.480 421 W N 2.479 123.707 121.300 -0.122 0.000 1.919 421 W HA 0.113 4.773 4.660 0.000 0.000 0.347 421 W C 0.040 176.597 176.519 0.063 0.000 0.698 421 W CA -0.721 56.602 57.345 -0.037 0.000 2.240 421 W CB -0.549 28.869 29.460 -0.070 0.000 2.021 421 W HN 0.624 nan 8.180 nan 0.000 0.527 422 D N -2.045 118.447 120.400 0.153 0.000 2.348 422 D HA -0.059 4.581 4.640 0.000 0.000 0.248 422 D C 1.072 177.415 176.300 0.073 0.000 1.142 422 D CA 0.551 54.617 54.000 0.110 0.000 0.904 422 D CB -0.260 40.572 40.800 0.054 0.000 0.901 422 D HN 0.001 nan 8.370 nan 0.000 0.523 423 T N -0.797 113.811 114.554 0.090 0.000 3.040 423 T HA 0.145 4.495 4.350 0.000 0.000 0.266 423 T C 0.444 175.122 174.700 -0.038 0.000 1.005 423 T CA -0.350 61.790 62.100 0.066 0.000 0.906 423 T CB 0.624 69.564 68.868 0.120 0.000 1.082 423 T HN 0.011 nan 8.240 nan 0.000 0.531 424 V N 4.376 124.237 119.914 -0.088 0.000 2.508 424 V HA 0.241 4.361 4.120 0.000 0.000 0.281 424 V C -2.278 173.540 176.094 -0.459 0.000 1.041 424 V CA -1.786 60.238 62.300 -0.460 0.000 1.016 424 V CB 0.445 32.140 31.823 -0.213 0.000 0.984 424 V HN 0.161 nan 8.190 nan 0.000 0.478 425 P HA 0.258 nan 4.420 nan 0.000 0.280 425 P C 0.781 177.813 177.300 -0.447 0.000 1.244 425 P CA -0.557 62.276 63.100 -0.446 0.000 0.784 425 P CB 0.631 32.116 31.700 -0.359 0.000 0.913 426 M N 1.833 121.133 119.600 -0.501 0.000 2.267 426 M HA -0.175 4.305 4.480 0.000 0.000 0.263 426 M C 1.503 177.541 176.300 -0.437 0.000 1.063 426 M CA 2.001 57.021 55.300 -0.466 0.000 1.090 426 M CB -0.982 31.331 32.600 -0.478 0.000 1.392 426 M HN 0.473 nan 8.290 nan 0.000 0.422 427 Q N -1.421 118.083 119.800 -0.493 0.000 2.050 427 Q HA -0.205 4.135 4.340 0.000 0.000 0.202 427 Q C 1.908 177.829 176.000 -0.130 0.000 0.980 427 Q CA 1.855 57.540 55.803 -0.196 0.000 0.840 427 Q CB -0.498 28.253 28.738 0.020 0.000 0.898 427 Q HN 0.485 nan 8.270 nan 0.000 0.424 428 F N 1.324 120.977 119.950 -0.495 0.000 2.069 428 F HA -0.218 4.309 4.527 0.000 0.000 0.298 428 F C 1.754 177.256 175.800 -0.498 0.000 1.113 428 F CA 1.376 58.835 58.000 -0.902 0.000 1.214 428 F CB -0.179 38.098 39.000 -1.204 0.000 0.978 428 F HN -0.028 nan 8.300 nan 0.000 0.474 429 L N -0.521 120.487 121.223 -0.359 0.000 2.079 429 L HA -0.232 4.108 4.340 0.000 0.000 0.210 429 L C 2.313 179.040 176.870 -0.239 0.000 1.081 429 L CA 1.079 55.731 54.840 -0.313 0.000 0.752 429 L CB -0.797 41.105 42.059 -0.261 0.000 0.896 429 L HN 0.103 nan 8.230 nan 0.000 0.433 430 V N -0.391 119.406 119.914 -0.195 0.000 2.323 430 V HA -0.212 3.909 4.120 0.000 0.000 0.244 430 V C 2.095 178.117 176.094 -0.121 0.000 1.041 430 V CA 1.593 63.842 62.300 -0.085 0.000 1.025 430 V CB -0.395 31.390 31.823 -0.064 0.000 0.656 430 V HN 0.453 nan 8.190 nan 0.000 0.451 431 E N -0.150 119.960 120.200 -0.151 0.000 2.482 431 E HA -0.024 4.326 4.350 0.000 0.000 0.196 431 E C 1.880 178.344 176.600 -0.226 0.000 1.047 431 E CA 0.833 57.188 56.400 -0.076 0.000 0.869 431 E CB 0.140 29.919 29.700 0.131 0.000 0.836 431 E HN 0.494 nan 8.360 nan 0.000 0.520 432 S N -0.119 115.322 115.700 -0.431 0.000 2.554 432 S HA 0.099 4.569 4.470 0.000 0.000 0.227 432 S C 0.444 174.866 174.600 -0.298 0.000 1.050 432 S CA -0.239 57.660 58.200 -0.502 0.000 0.927 432 S CB 1.129 63.657 63.200 -1.121 0.000 0.859 432 S HN -0.089 nan 8.310 nan 0.000 0.494 433 V N 4.247 124.033 119.914 -0.213 0.000 2.439 433 V HA 0.344 4.464 4.120 0.000 0.000 0.282 433 V C -2.504 173.527 176.094 -0.105 0.000 1.039 433 V CA -2.173 60.062 62.300 -0.108 0.000 0.913 433 V CB 0.942 32.737 31.823 -0.047 0.000 0.983 433 V HN 0.088 nan 8.190 nan 0.000 0.460 434 P HA 0.038 nan 4.420 nan 0.000 0.265 434 P C -0.481 176.781 177.300 -0.065 0.000 1.187 434 P CA -0.066 62.968 63.100 -0.109 0.000 0.766 434 P CB 0.305 31.935 31.700 -0.116 0.000 0.820 435 Q N 2.006 121.776 119.800 -0.050 0.000 2.332 435 Q HA 0.183 4.523 4.340 0.000 0.000 0.263 435 Q C 0.229 176.221 176.000 -0.013 0.000 0.979 435 Q CA -0.029 55.775 55.803 0.001 0.000 0.885 435 Q CB 0.470 29.212 28.738 0.005 0.000 1.218 435 Q HN 0.498 nan 8.270 nan 0.000 0.405 436 M N 1.280 120.889 119.600 0.015 0.000 2.248 436 M HA 0.070 4.550 4.480 0.000 0.000 0.337 436 M C -0.454 175.816 176.300 -0.051 0.000 1.121 436 M CA 0.879 56.175 55.300 -0.007 0.000 1.155 436 M CB 0.607 33.222 32.600 0.026 0.000 1.514 436 M HN 0.453 nan 8.290 nan 0.000 0.452 437 T N 4.569 119.072 114.554 -0.086 0.000 2.909 437 T HA 0.584 4.935 4.350 0.000 0.000 0.299 437 T C -2.645 171.918 174.700 -0.228 0.000 1.073 437 T CA -0.999 61.003 62.100 -0.164 0.000 0.999 437 T CB 1.799 70.614 68.868 -0.088 0.000 1.098 437 T HN 0.438 nan 8.240 nan 0.000 0.477 438 P HA 0.314 nan 4.420 nan 0.000 0.272 438 P C -0.686 176.403 177.300 -0.351 0.000 1.223 438 P CA -0.567 62.240 63.100 -0.488 0.000 0.784 438 P CB 0.525 31.725 31.700 -0.834 0.000 0.923 439 R N 1.900 122.225 120.500 -0.292 0.000 2.532 439 R HA 0.451 4.791 4.340 0.000 0.000 0.295 439 R C -0.466 175.560 176.300 -0.457 0.000 0.968 439 R CA -0.676 55.285 56.100 -0.232 0.000 0.916 439 R CB 0.354 30.602 30.300 -0.086 0.000 1.124 439 R HN 0.474 nan 8.270 nan 0.000 0.463 440 Y N 1.061 121.076 120.300 -0.477 0.000 2.403 440 Y HA 0.412 4.962 4.550 0.000 0.000 0.323 440 Y C -0.172 175.128 175.900 -0.999 0.000 1.226 440 Y CA -0.309 57.486 58.100 -0.508 0.000 1.235 440 Y CB 1.032 39.235 38.460 -0.427 0.000 1.248 440 Y HN 0.375 nan 8.280 nan 0.000 0.489 441 Y N -1.040 119.149 120.300 -0.185 0.000 2.492 441 Y HA 0.377 4.927 4.550 0.000 0.000 0.346 441 Y C -0.358 175.464 175.900 -0.130 0.000 0.997 441 Y CA -1.379 56.572 58.100 -0.248 0.000 1.025 441 Y CB 1.968 40.327 38.460 -0.170 0.000 1.263 441 Y HN 0.401 nan 8.280 nan 0.000 0.454 442 S N 3.638 119.303 115.700 -0.058 0.000 2.455 442 S HA 0.358 4.828 4.470 0.000 0.000 0.278 442 S C 0.080 174.761 174.600 0.134 0.000 1.216 442 S CA -0.542 57.720 58.200 0.103 0.000 1.055 442 S CB -0.331 62.890 63.200 0.034 0.000 0.939 442 S HN 0.404 nan 8.310 nan 0.000 0.494 443 I N 3.181 123.842 120.570 0.152 0.000 2.683 443 I HA -0.038 4.132 4.170 0.000 0.000 0.286 443 I C 1.187 177.377 176.117 0.122 0.000 1.175 443 I CA 0.102 61.469 61.300 0.113 0.000 1.429 443 I CB 0.649 38.693 38.000 0.074 0.000 1.371 443 I HN 0.717 nan 8.210 nan 0.000 0.569 444 S N 2.494 118.271 115.700 0.127 0.000 2.575 444 S HA 0.185 4.655 4.470 0.000 0.000 0.237 444 S C 0.311 174.925 174.600 0.022 0.000 0.975 444 S CA -0.596 57.665 58.200 0.102 0.000 0.960 444 S CB -0.156 63.136 63.200 0.154 0.000 0.822 444 S HN 0.683 nan 8.310 nan 0.000 0.472 445 S N 0.695 116.390 115.700 -0.009 0.000 2.704 445 S HA 0.742 5.213 4.470 0.000 0.000 0.305 445 S C -0.324 174.297 174.600 0.035 0.000 1.107 445 S CA -0.694 57.377 58.200 -0.215 0.000 0.993 445 S CB 1.590 64.439 63.200 -0.585 0.000 1.110 445 S HN 0.198 nan 8.310 nan 0.000 0.534 446 S N 0.326 116.014 115.700 -0.020 0.000 2.462 446 S HA 0.389 4.859 4.470 0.000 0.000 0.294 446 S C 1.153 175.763 174.600 0.017 0.000 1.144 446 S CA -0.181 58.030 58.200 0.019 0.000 1.088 446 S CB 0.801 63.973 63.200 -0.047 0.000 1.009 446 S HN 0.971 nan 8.310 nan 0.000 0.484 447 S N 4.888 120.483 115.700 -0.175 0.000 2.461 447 S HA -0.061 4.409 4.470 0.000 0.000 0.228 447 S C 1.624 176.087 174.600 -0.229 0.000 1.005 447 S CA 0.387 58.278 58.200 -0.515 0.000 0.942 447 S CB -0.394 62.273 63.200 -0.889 0.000 0.776 447 S HN 0.650 nan 8.310 nan 0.000 0.514 448 L N 2.696 123.838 121.223 -0.136 0.000 2.313 448 L HA 0.255 4.595 4.340 0.000 0.000 0.214 448 L C 1.874 178.722 176.870 -0.037 0.000 1.119 448 L CA 1.661 56.457 54.840 -0.074 0.000 0.809 448 L CB -0.443 41.590 42.059 -0.043 0.000 0.933 448 L HN 0.554 nan 8.230 nan 0.000 0.449 449 S N -3.245 112.439 115.700 -0.027 0.000 2.650 449 S HA 0.314 4.785 4.470 0.000 0.000 0.240 449 S C 0.735 175.350 174.600 0.025 0.000 1.007 449 S CA -0.189 58.010 58.200 -0.002 0.000 0.984 449 S CB 0.259 63.456 63.200 -0.004 0.000 0.910 449 S HN 0.400 nan 8.310 nan 0.000 0.509 450 E N 0.611 120.838 120.200 0.045 0.000 2.713 450 E HA 0.261 4.611 4.350 0.000 0.000 0.199 450 E C 0.854 177.566 176.600 0.187 0.000 0.940 450 E CA -0.065 56.411 56.400 0.127 0.000 1.310 450 E CB 0.246 30.028 29.700 0.138 0.000 1.129 450 E HN 0.315 nan 8.360 nan 0.000 0.557 451 K N 1.009 121.454 120.400 0.076 0.000 2.804 451 K HA -0.431 3.889 4.320 0.000 0.000 0.201 451 K C 1.308 178.035 176.600 0.211 0.000 0.908 451 K CA 2.435 58.749 56.287 0.045 0.000 0.855 451 K CB 0.009 32.513 32.500 0.006 0.000 1.395 451 K HN 0.130 nan 8.250 nan 0.000 0.537 452 Q N -0.832 119.088 119.800 0.200 0.000 2.396 452 Q HA 0.066 4.406 4.340 0.000 0.000 0.209 452 Q C 0.223 176.341 176.000 0.197 0.000 0.906 452 Q CA 0.682 56.594 55.803 0.181 0.000 0.927 452 Q CB 1.102 29.906 28.738 0.110 0.000 1.069 452 Q HN 0.299 nan 8.270 nan 0.000 0.523 453 T N 0.805 115.501 114.554 0.237 0.000 2.902 453 T HA 0.500 4.850 4.350 0.000 0.000 0.283 453 T C -0.331 174.457 174.700 0.146 0.000 1.009 453 T CA -0.426 61.800 62.100 0.210 0.000 1.051 453 T CB 2.380 71.413 68.868 0.275 0.000 0.999 453 T HN -0.229 nan 8.240 nan 0.000 0.474 454 V N 3.425 123.398 119.914 0.099 0.000 2.482 454 V HA 0.304 4.424 4.120 0.000 0.000 0.295 454 V C -0.991 175.250 176.094 0.245 0.000 1.026 454 V CA -0.925 61.334 62.300 -0.067 0.000 0.856 454 V CB 1.180 32.815 31.823 -0.314 0.000 1.001 454 V HN 0.847 nan 8.190 nan 0.000 0.424 455 H N 2.967 122.004 119.070 -0.055 0.000 2.502 455 H HA 0.691 5.247 4.556 0.000 0.000 0.327 455 H C -0.302 175.005 175.328 -0.034 0.000 1.099 455 H CA -0.709 55.298 56.048 -0.068 0.000 1.323 455 H CB 1.699 31.494 29.762 0.055 0.000 1.450 455 H HN 0.349 nan 8.280 nan 0.000 0.502 456 V N 3.008 122.920 119.914 -0.002 0.000 2.588 456 V HA 0.262 4.382 4.120 0.000 0.000 0.304 456 V C -0.154 175.952 176.094 0.019 0.000 1.042 456 V CA -0.746 61.568 62.300 0.024 0.000 0.877 456 V CB 2.114 33.926 31.823 -0.018 0.000 0.996 456 V HN 0.870 nan 8.190 nan 0.000 0.425 457 T N 3.058 117.707 114.554 0.157 0.000 3.042 457 T HA 0.298 4.649 4.350 0.000 0.000 0.356 457 T C 0.033 174.826 174.700 0.155 0.000 1.233 457 T CA -0.340 61.893 62.100 0.222 0.000 1.038 457 T CB 0.417 69.525 68.868 0.399 0.000 1.089 457 T HN 0.755 nan 8.240 nan 0.000 0.531 458 S N 3.485 119.201 115.700 0.027 0.000 2.438 458 S HA 0.581 5.051 4.470 0.000 0.000 0.316 458 S C -0.042 174.560 174.600 0.003 0.000 1.084 458 S CA -0.947 57.289 58.200 0.060 0.000 1.107 458 S CB 0.669 63.802 63.200 -0.111 0.000 0.981 458 S HN 0.723 nan 8.310 nan 0.000 0.466 459 I N 4.567 125.174 120.570 0.063 0.000 2.441 459 I HA 0.305 4.475 4.170 0.000 0.000 0.287 459 I C -0.448 175.699 176.117 0.049 0.000 1.049 459 I CA -0.726 60.567 61.300 -0.012 0.000 1.381 459 I CB 0.836 38.897 38.000 0.102 0.000 1.409 459 I HN 0.526 nan 8.210 nan 0.000 0.523 460 V N 7.929 127.847 119.914 0.008 0.000 2.572 460 V HA 0.078 4.198 4.120 0.000 0.000 0.291 460 V C 0.290 176.450 176.094 0.111 0.000 1.039 460 V CA -0.298 62.032 62.300 0.050 0.000 1.055 460 V CB 0.696 32.534 31.823 0.025 0.000 0.969 460 V HN 0.626 nan 8.190 nan 0.000 0.482 461 E N 4.766 125.041 120.200 0.124 0.000 2.130 461 E HA 0.340 4.690 4.350 0.000 0.000 0.284 461 E C -0.411 176.251 176.600 0.103 0.000 1.018 461 E CA -0.174 56.327 56.400 0.167 0.000 0.817 461 E CB 1.165 30.973 29.700 0.180 0.000 1.078 461 E HN 0.701 nan 8.360 nan 0.000 0.396 462 N N 3.637 122.411 118.700 0.122 0.000 3.261 462 N HA 0.094 4.834 4.740 0.000 0.000 0.227 462 N C -1.882 173.661 175.510 0.055 0.000 1.338 462 N CA -0.441 52.600 53.050 -0.015 0.000 0.833 462 N CB -0.087 38.411 38.487 0.018 0.000 1.606 462 N HN 0.259 nan 8.380 nan 0.000 0.649 463 F N 0.537 120.485 119.950 -0.003 0.000 2.588 463 F HA 0.881 5.408 4.527 0.000 0.000 0.314 463 F C -2.746 173.009 175.800 -0.074 0.000 1.069 463 F CA -2.633 55.350 58.000 -0.029 0.000 0.931 463 F CB 0.867 39.846 39.000 -0.035 0.000 1.260 463 F HN 0.068 nan 8.300 nan 0.000 0.465 464 P HA 0.022 nan 4.420 nan 0.000 0.267 464 P C -0.479 176.837 177.300 0.027 0.000 1.205 464 P CA -0.129 62.995 63.100 0.041 0.000 0.765 464 P CB 0.467 32.200 31.700 0.055 0.000 0.828 465 N N 4.839 123.493 118.700 -0.076 0.000 2.411 465 N HA -0.032 4.708 4.740 0.000 0.000 0.265 465 N C -1.507 173.973 175.510 -0.051 0.000 1.266 465 N CA -0.977 51.993 53.050 -0.132 0.000 0.889 465 N CB 0.351 38.800 38.487 -0.065 0.000 1.069 465 N HN 0.205 nan 8.380 nan 0.000 0.476 466 P HA 0.001 nan 4.420 nan 0.000 0.223 466 P C 0.652 177.977 177.300 0.040 0.000 1.151 466 P CA 0.861 63.968 63.100 0.012 0.000 0.787 466 P CB 0.537 32.260 31.700 0.038 0.000 0.788 467 E N -0.835 119.400 120.200 0.059 0.000 2.162 467 E HA 0.150 4.500 4.350 0.000 0.000 0.193 467 E C 0.586 177.204 176.600 0.030 0.000 0.953 467 E CA 0.458 56.884 56.400 0.045 0.000 0.849 467 E CB 0.120 29.845 29.700 0.040 0.000 0.810 467 E HN 0.266 nan 8.360 nan 0.000 0.470 468 L N 2.746 123.992 121.223 0.037 0.000 2.277 468 L HA 0.253 4.593 4.340 0.000 0.000 0.284 468 L C -1.966 174.925 176.870 0.036 0.000 1.028 468 L CA -1.601 53.267 54.840 0.046 0.000 0.835 468 L CB 1.351 43.457 42.059 0.078 0.000 1.215 468 L HN -0.147 nan 8.230 nan 0.000 0.425 469 P HA -0.052 nan 4.420 nan 0.000 0.230 469 P C 0.276 177.591 177.300 0.026 0.000 1.158 469 P CA 0.856 63.971 63.100 0.025 0.000 0.769 469 P CB 0.319 32.034 31.700 0.025 0.000 0.807 470 D N -1.555 118.865 120.400 0.033 0.000 2.449 470 D HA 0.157 4.797 4.640 0.000 0.000 0.210 470 D C 0.991 177.311 176.300 0.034 0.000 1.094 470 D CA 0.007 54.026 54.000 0.032 0.000 0.846 470 D CB 0.062 40.883 40.800 0.035 0.000 1.003 470 D HN 0.046 nan 8.370 nan 0.000 0.504 471 A N 2.099 124.946 122.820 0.044 0.000 2.366 471 A HA 0.410 4.730 4.320 0.000 0.000 0.250 471 A C -2.085 175.512 177.584 0.021 0.000 1.099 471 A CA -0.595 51.472 52.037 0.050 0.000 0.794 471 A CB -0.360 18.693 19.000 0.087 0.000 1.056 471 A HN -0.096 nan 8.150 nan 0.000 0.499 472 P HA 0.372 nan 4.420 nan 0.000 0.274 472 P C -2.458 174.814 177.300 -0.046 0.000 1.256 472 P CA -1.007 62.086 63.100 -0.013 0.000 0.795 472 P CB -0.362 31.330 31.700 -0.013 0.000 1.038 473 P HA 0.051 nan 4.420 nan 0.000 0.271 473 P C -0.868 176.288 177.300 -0.241 0.000 1.233 473 P CA -0.037 62.974 63.100 -0.149 0.000 0.789 473 P CB 0.266 31.896 31.700 -0.116 0.000 0.951 474 V N 2.416 122.031 119.914 -0.499 0.000 2.368 474 V HA 0.250 4.371 4.120 0.000 0.000 0.266 474 V C 0.583 176.314 176.094 -0.604 0.000 1.045 474 V CA -0.183 61.739 62.300 -0.630 0.000 0.899 474 V CB 0.500 31.605 31.823 -1.197 0.000 1.006 474 V HN 0.373 nan 8.190 nan 0.000 0.470 475 V N 2.666 122.420 119.914 -0.266 0.000 3.103 475 V HA 1.054 5.174 4.120 0.000 0.000 0.318 475 V C 0.332 176.407 176.094 -0.033 0.000 1.114 475 V CA -0.582 61.637 62.300 -0.135 0.000 1.020 475 V CB 1.962 33.752 31.823 -0.056 0.000 1.085 475 V HN 0.765 nan 8.190 nan 0.000 0.446 476 G N 0.095 108.916 108.800 0.035 0.000 2.415 476 G HA2 0.528 4.488 3.960 0.000 0.000 0.327 476 G HA3 0.528 4.488 3.960 0.000 0.000 0.327 476 G C 0.298 175.265 174.900 0.113 0.000 1.182 476 G CA -0.210 44.937 45.100 0.079 0.000 0.924 476 G HN 0.876 nan 8.290 nan 0.000 0.470 477 V N 2.096 122.081 119.914 0.119 0.000 2.221 477 V HA -0.225 3.895 4.120 0.000 0.000 0.244 477 V C 3.077 179.211 176.094 0.066 0.000 1.043 477 V CA 2.732 65.136 62.300 0.174 0.000 0.996 477 V CB -1.202 30.695 31.823 0.125 0.000 0.636 477 V HN 0.793 nan 8.190 nan 0.000 0.454 478 T N 0.754 115.313 114.554 0.009 0.000 2.592 478 T HA -0.312 4.038 4.350 0.000 0.000 0.267 478 T C 1.952 176.594 174.700 -0.097 0.000 1.060 478 T CA 2.950 65.014 62.100 -0.059 0.000 1.167 478 T CB -0.874 68.027 68.868 0.054 0.000 0.863 478 T HN 0.835 nan 8.240 nan 0.000 0.431 479 T N 1.195 115.750 114.554 0.003 0.000 2.788 479 T HA -0.134 4.216 4.350 0.000 0.000 0.268 479 T C 1.877 176.554 174.700 -0.038 0.000 1.044 479 T CA 1.319 63.410 62.100 -0.013 0.000 1.139 479 T CB -0.428 68.478 68.868 0.064 0.000 0.867 479 T HN 0.261 nan 8.240 nan 0.000 0.454 480 N N 1.081 119.794 118.700 0.020 0.000 2.270 480 N HA 0.038 4.778 4.740 0.000 0.000 0.181 480 N C 1.818 177.326 175.510 -0.003 0.000 1.016 480 N CA 0.894 54.001 53.050 0.095 0.000 0.870 480 N CB -0.325 38.307 38.487 0.242 0.000 0.979 480 N HN 0.337 nan 8.380 nan 0.000 0.431 481 L N 1.601 122.563 121.223 -0.435 0.000 1.994 481 L HA -0.024 4.316 4.340 0.000 0.000 0.208 481 L C 1.991 178.619 176.870 -0.402 0.000 1.071 481 L CA 1.401 55.646 54.840 -0.993 0.000 0.745 481 L CB -0.973 40.352 42.059 -1.223 0.000 0.892 481 L HN 0.050 nan 8.230 nan 0.000 0.431 482 L N -0.490 120.556 121.223 -0.296 0.000 2.127 482 L HA -0.223 4.117 4.340 0.000 0.000 0.211 482 L C 2.850 179.605 176.870 -0.193 0.000 1.089 482 L CA 1.567 56.262 54.840 -0.241 0.000 0.757 482 L CB -0.606 41.306 42.059 -0.246 0.000 0.899 482 L HN 0.380 nan 8.230 nan 0.000 0.434 483 R N 0.164 120.583 120.500 -0.135 0.000 2.073 483 R HA -0.157 4.183 4.340 0.000 0.000 0.229 483 R C 2.248 178.509 176.300 -0.066 0.000 1.120 483 R CA 1.239 57.286 56.100 -0.088 0.000 0.967 483 R CB -0.180 30.100 30.300 -0.034 0.000 0.862 483 R HN 0.318 nan 8.270 nan 0.000 0.436 484 N N 1.301 119.989 118.700 -0.019 0.000 2.069 484 N HA -0.182 4.558 4.740 0.000 0.000 0.191 484 N C 1.796 177.283 175.510 -0.039 0.000 1.031 484 N CA 1.593 54.667 53.050 0.041 0.000 0.852 484 N CB -0.188 38.414 38.487 0.193 0.000 1.018 484 N HN 0.282 nan 8.380 nan 0.000 0.423 485 I N 0.746 121.250 120.570 -0.110 0.000 2.286 485 I HA -0.251 3.919 4.170 0.000 0.000 0.248 485 I C 2.630 178.544 176.117 -0.339 0.000 1.115 485 I CA 0.894 62.067 61.300 -0.211 0.000 1.392 485 I CB -0.345 37.520 38.000 -0.225 0.000 1.065 485 I HN 0.311 nan 8.210 nan 0.000 0.418 486 Q N 1.504 121.154 119.800 -0.249 0.000 1.993 486 Q HA -0.201 4.139 4.340 0.000 0.000 0.202 486 Q C 2.370 178.252 176.000 -0.197 0.000 0.984 486 Q CA 1.865 57.528 55.803 -0.234 0.000 0.837 486 Q CB -0.302 28.333 28.738 -0.171 0.000 0.902 486 Q HN 0.508 nan 8.270 nan 0.000 0.423 487 L N 0.472 121.618 121.223 -0.129 0.000 1.989 487 L HA -0.230 4.110 4.340 0.000 0.000 0.211 487 L C 2.706 179.512 176.870 -0.106 0.000 1.071 487 L CA 1.290 56.077 54.840 -0.089 0.000 0.749 487 L CB -1.051 40.982 42.059 -0.042 0.000 0.890 487 L HN 0.234 nan 8.230 nan 0.000 0.431 488 A N -0.114 122.638 122.820 -0.114 0.000 1.849 488 A HA -0.381 3.939 4.320 0.000 0.000 0.216 488 A C 2.215 179.686 177.584 -0.188 0.000 1.225 488 A CA 2.350 54.335 52.037 -0.087 0.000 0.653 488 A CB -1.160 17.826 19.000 -0.023 0.000 0.844 488 A HN 0.515 nan 8.150 nan 0.000 0.453 489 Q N -0.813 118.629 119.800 -0.597 0.000 2.250 489 Q HA -0.288 4.052 4.340 0.000 0.000 0.215 489 Q C 0.801 176.669 176.000 -0.221 0.000 1.002 489 Q CA 2.252 57.648 55.803 -0.678 0.000 0.910 489 Q CB -0.270 27.930 28.738 -0.896 0.000 0.939 489 Q HN 0.716 nan 8.270 nan 0.000 0.416 490 N N 0.750 119.344 118.700 -0.177 0.000 2.313 490 N HA 0.030 4.770 4.740 0.000 0.000 0.207 490 N C -0.966 174.514 175.510 -0.050 0.000 1.141 490 N CA 0.242 53.235 53.050 -0.095 0.000 0.830 490 N CB 0.309 38.741 38.487 -0.093 0.000 1.008 490 N HN 0.248 nan 8.380 nan 0.000 0.481 491 N N -0.951 117.729 118.700 -0.033 0.000 2.721 491 N HA -0.160 4.580 4.740 0.000 0.000 0.249 491 N C -0.934 174.568 175.510 -0.014 0.000 1.072 491 N CA 0.417 53.463 53.050 -0.007 0.000 0.710 491 N CB -1.814 36.673 38.487 0.001 0.000 0.993 491 N HN 0.025 nan 8.380 nan 0.000 0.547 492 V N 0.826 120.725 119.914 -0.024 0.000 2.546 492 V HA 0.124 4.244 4.120 0.000 0.000 0.284 492 V C 1.089 177.176 176.094 -0.013 0.000 1.050 492 V CA -0.687 61.601 62.300 -0.020 0.000 0.981 492 V CB 1.511 33.317 31.823 -0.028 0.000 0.990 492 V HN 0.237 nan 8.190 nan 0.000 0.474 493 N N 3.837 122.532 118.700 -0.010 0.000 2.434 493 N HA 0.137 4.877 4.740 0.000 0.000 0.273 493 N C 0.929 176.433 175.510 -0.010 0.000 1.210 493 N CA 0.122 53.166 53.050 -0.009 0.000 0.992 493 N CB -0.025 38.458 38.487 -0.008 0.000 1.355 493 N HN 0.660 nan 8.380 nan 0.000 0.495 494 I N 1.573 122.136 120.570 -0.012 0.000 2.800 494 I HA -0.260 3.910 4.170 0.000 0.000 0.266 494 I C 1.938 178.045 176.117 -0.015 0.000 1.249 494 I CA 0.610 61.904 61.300 -0.010 0.000 1.458 494 I CB -0.226 37.769 38.000 -0.007 0.000 1.093 494 I HN 0.572 nan 8.210 nan 0.000 0.466 495 A N 0.932 123.740 122.820 -0.021 0.000 1.969 495 A HA -0.168 4.152 4.320 0.000 0.000 0.218 495 A C 2.199 179.776 177.584 -0.012 0.000 1.169 495 A CA 1.298 53.321 52.037 -0.023 0.000 0.635 495 A CB -0.309 18.677 19.000 -0.024 0.000 0.810 495 A HN 0.496 nan 8.150 nan 0.000 0.445 496 E N 0.388 120.584 120.200 -0.007 0.000 2.076 496 E HA -0.035 4.315 4.350 0.000 0.000 0.190 496 E C 1.308 177.909 176.600 0.003 0.000 0.979 496 E CA 0.721 57.119 56.400 -0.002 0.000 0.807 496 E CB -0.722 28.977 29.700 -0.001 0.000 0.761 496 E HN 0.710 nan 8.360 nan 0.000 0.454 497 T N 1.564 116.120 114.554 0.003 0.000 2.576 497 T HA -0.077 4.273 4.350 0.000 0.000 0.351 497 T C 0.826 175.535 174.700 0.014 0.000 1.066 497 T CA 0.257 62.362 62.100 0.010 0.000 1.046 497 T CB 0.229 69.103 68.868 0.009 0.000 0.999 497 T HN 0.112 nan 8.240 nan 0.000 0.544 498 N N -0.393 118.320 118.700 0.021 0.000 2.235 498 N HA 0.106 4.847 4.740 0.000 0.000 0.209 498 N C 0.007 175.534 175.510 0.028 0.000 1.122 498 N CA -0.449 52.616 53.050 0.024 0.000 0.845 498 N CB -0.465 38.041 38.487 0.030 0.000 1.004 498 N HN 0.539 nan 8.380 nan 0.000 0.499 499 L N 2.576 123.818 121.223 0.031 0.000 2.700 499 L HA 0.111 4.451 4.340 0.000 0.000 0.272 499 L C -1.375 175.520 176.870 0.041 0.000 1.176 499 L CA -0.762 54.106 54.840 0.046 0.000 0.961 499 L CB 0.528 42.621 42.059 0.057 0.000 1.249 499 L HN -0.051 nan 8.230 nan 0.000 0.487 500 P HA -0.015 nan 4.420 nan 0.000 0.225 500 P C -0.559 176.744 177.300 0.006 0.000 1.156 500 P CA 0.731 63.838 63.100 0.013 0.000 0.787 500 P CB 0.188 31.884 31.700 -0.005 0.000 0.802 501 V N -4.943 114.977 119.914 0.009 0.000 3.181 501 V HA 0.656 4.776 4.120 0.000 0.000 0.307 501 V C -1.233 174.858 176.094 -0.004 0.000 1.310 501 V CA -1.058 61.205 62.300 -0.061 0.000 1.067 501 V CB 2.231 33.911 31.823 -0.238 0.000 1.081 501 V HN 0.179 nan 8.190 nan 0.000 0.453 502 H N -0.769 118.143 119.070 -0.264 0.000 3.016 502 H HA 0.727 5.284 4.556 0.000 0.000 0.362 502 H C -2.381 172.765 175.328 -0.302 0.000 1.233 502 H CA -0.756 55.210 56.048 -0.135 0.000 1.124 502 H CB 1.716 31.465 29.762 -0.023 0.000 1.850 502 H HN 0.694 nan 8.280 nan 0.000 0.549 503 Y N -0.531 119.783 120.300 0.024 0.000 2.598 503 Y HA 0.189 4.739 4.550 0.000 0.000 0.340 503 Y C 0.344 176.275 175.900 0.053 0.000 1.038 503 Y CA -1.077 57.008 58.100 -0.026 0.000 1.100 503 Y CB 1.065 39.525 38.460 -0.001 0.000 1.281 503 Y HN 0.621 nan 8.280 nan 0.000 0.488 504 D N 1.841 122.359 120.400 0.196 0.000 2.348 504 D HA 0.059 4.699 4.640 0.000 0.000 0.259 504 D C 0.251 176.687 176.300 0.226 0.000 1.296 504 D CA 0.500 54.600 54.000 0.167 0.000 0.931 504 D CB 0.441 41.314 40.800 0.121 0.000 1.067 504 D HN 0.619 nan 8.370 nan 0.000 0.503 505 L N 3.247 124.591 121.223 0.201 0.000 2.591 505 L HA 0.072 4.412 4.340 0.000 0.000 0.228 505 L C 1.596 178.567 176.870 0.167 0.000 1.133 505 L CA -0.128 54.834 54.840 0.203 0.000 0.880 505 L CB -0.150 42.036 42.059 0.211 0.000 1.033 505 L HN 0.292 nan 8.230 nan 0.000 0.450 506 N N 0.323 119.098 118.700 0.125 0.000 2.368 506 N HA 0.082 4.822 4.740 0.000 0.000 0.178 506 N C 1.159 176.687 175.510 0.031 0.000 1.021 506 N CA 1.113 54.194 53.050 0.052 0.000 0.875 506 N CB 0.577 39.065 38.487 0.001 0.000 1.020 506 N HN 0.335 nan 8.380 nan 0.000 0.433 507 G N 0.623 109.434 108.800 0.018 0.000 2.545 507 G HA2 -0.186 3.774 3.960 0.000 0.000 0.216 507 G HA3 -0.186 3.774 3.960 0.000 0.000 0.216 507 G C -2.904 171.723 174.900 -0.456 0.000 1.314 507 G CA -0.841 44.032 45.100 -0.378 0.000 0.906 507 G HN 0.102 nan 8.290 nan 0.000 0.563 508 P HA 0.542 nan 4.420 nan 0.000 0.287 508 P C 0.214 177.310 177.300 -0.341 0.000 1.294 508 P CA -0.170 62.634 63.100 -0.494 0.000 0.776 508 P CB 0.635 31.967 31.700 -0.614 0.000 0.889 509 R N 2.950 123.331 120.500 -0.199 0.000 3.516 509 R HA -0.241 4.099 4.340 0.000 0.000 0.271 509 R C 0.080 176.298 176.300 -0.137 0.000 1.098 509 R CA 0.528 56.548 56.100 -0.133 0.000 0.732 509 R CB -1.804 28.433 30.300 -0.105 0.000 1.152 509 R HN 0.544 nan 8.270 nan 0.000 0.455 510 K N -1.170 119.135 120.400 -0.157 0.000 3.020 510 K HA -0.262 4.058 4.320 0.000 0.000 0.266 510 K C 1.077 177.599 176.600 -0.130 0.000 1.067 510 K CA 1.130 57.343 56.287 -0.124 0.000 0.780 510 K CB -1.084 31.372 32.500 -0.074 0.000 1.220 510 K HN 0.485 nan 8.250 nan 0.000 0.483 511 L N -0.120 120.961 121.223 -0.237 0.000 2.127 511 L HA -0.101 4.239 4.340 0.000 0.000 0.211 511 L C 1.466 178.343 176.870 0.012 0.000 1.089 511 L CA 1.510 56.247 54.840 -0.171 0.000 0.757 511 L CB -0.072 41.795 42.059 -0.319 0.000 0.899 511 L HN 0.267 nan 8.230 nan 0.000 0.434 512 F N 0.451 120.341 119.950 -0.100 0.000 2.811 512 F HA 0.164 4.691 4.527 0.000 0.000 0.292 512 F C 1.485 177.224 175.800 -0.100 0.000 1.240 512 F CA -0.643 57.295 58.000 -0.102 0.000 1.422 512 F CB -0.450 38.504 39.000 -0.076 0.000 1.045 512 F HN 0.079 nan 8.300 nan 0.000 0.512 513 A N 1.473 124.328 122.820 0.059 0.000 2.621 513 A HA -0.271 4.050 4.320 0.000 0.000 0.316 513 A C 0.510 178.027 177.584 -0.112 0.000 1.789 513 A CA 0.288 52.304 52.037 -0.035 0.000 1.345 513 A CB -1.520 17.461 19.000 -0.033 0.000 0.723 513 A HN 0.670 nan 8.150 nan 0.000 0.378 514 N N 0.333 118.929 118.700 -0.175 0.000 2.569 514 N HA -0.243 4.497 4.740 0.000 0.000 0.297 514 N C -0.122 175.107 175.510 -0.469 0.000 1.415 514 N CA 2.127 54.893 53.050 -0.474 0.000 0.742 514 N CB -1.058 36.965 38.487 -0.773 0.000 1.031 514 N HN 0.959 nan 8.380 nan 0.000 0.485 515 Y N -2.529 117.751 120.300 -0.033 0.000 3.457 515 Y HA -0.331 4.219 4.550 0.000 0.000 0.215 515 Y C 0.548 176.378 175.900 -0.116 0.000 1.435 515 Y CA 0.232 58.277 58.100 -0.093 0.000 1.569 515 Y CB -1.461 36.937 38.460 -0.105 0.000 1.518 515 Y HN 0.432 nan 8.280 nan 0.000 0.580 516 K N 0.903 121.312 120.400 0.014 0.000 2.435 516 K HA 0.921 5.241 4.320 0.000 0.000 0.251 516 K C -0.727 175.708 176.600 -0.276 0.000 0.954 516 K CA -0.968 55.270 56.287 -0.082 0.000 0.820 516 K CB 2.836 35.304 32.500 -0.054 0.000 1.292 516 K HN 0.101 nan 8.250 nan 0.000 0.436 517 L N 1.499 122.518 121.223 -0.340 0.000 2.518 517 L HA 0.415 4.755 4.340 0.000 0.000 0.257 517 L C -2.705 173.834 176.870 -0.551 0.000 0.980 517 L CA -2.258 52.228 54.840 -0.590 0.000 0.837 517 L CB 2.689 44.573 42.059 -0.292 0.000 1.410 517 L HN 0.349 nan 8.230 nan 0.000 0.410 518 P HA 0.264 nan 4.420 nan 0.000 0.268 518 P C -1.162 175.754 177.300 -0.639 0.000 1.205 518 P CA -0.058 62.617 63.100 -0.708 0.000 0.771 518 P CB 1.047 32.300 31.700 -0.746 0.000 0.858 519 V N 2.770 122.300 119.914 -0.640 0.000 3.242 519 V HA 0.530 4.650 4.120 0.000 0.000 0.298 519 V C -0.968 175.033 176.094 -0.156 0.000 1.352 519 V CA -0.481 61.581 62.300 -0.397 0.000 1.052 519 V CB 2.501 34.019 31.823 -0.509 0.000 1.101 519 V HN 0.839 nan 8.190 nan 0.000 0.446 520 H N 0.396 119.419 119.070 -0.078 0.000 3.121 520 H HA 0.615 5.171 4.556 0.000 0.000 0.337 520 H C -2.016 173.357 175.328 0.076 0.000 1.198 520 H CA -0.601 55.476 56.048 0.049 0.000 1.274 520 H CB 1.252 31.137 29.762 0.204 0.000 1.954 520 H HN 0.371 nan 8.280 nan 0.000 0.531 521 V N 2.824 122.856 119.914 0.197 0.000 2.649 521 V HA 0.295 4.415 4.120 0.000 0.000 0.292 521 V C 0.720 176.982 176.094 0.280 0.000 1.055 521 V CA -0.449 61.947 62.300 0.159 0.000 1.023 521 V CB 1.111 33.029 31.823 0.159 0.000 0.992 521 V HN 0.636 nan 8.190 nan 0.000 0.480 522 R N 4.251 124.901 120.500 0.251 0.000 2.422 522 R HA 0.309 4.649 4.340 0.000 0.000 0.307 522 R C -0.170 176.233 176.300 0.173 0.000 1.004 522 R CA -0.719 55.554 56.100 0.288 0.000 0.882 522 R CB 0.924 31.466 30.300 0.403 0.000 1.164 522 R HN 0.837 nan 8.270 nan 0.000 0.489 523 R N 2.386 122.971 120.500 0.142 0.000 2.585 523 R HA 0.045 4.385 4.340 0.000 0.000 0.275 523 R C -0.295 176.031 176.300 0.045 0.000 1.018 523 R CA 0.564 56.717 56.100 0.089 0.000 1.072 523 R CB 0.513 30.868 30.300 0.092 0.000 0.953 523 R HN 0.797 nan 8.270 nan 0.000 0.419 524 S N 2.269 117.969 115.700 -0.000 0.000 2.874 524 S HA 0.361 4.831 4.470 0.000 0.000 0.318 524 S C 0.101 174.759 174.600 0.096 0.000 1.109 524 S CA -0.961 57.236 58.200 -0.005 0.000 0.878 524 S CB 1.441 64.508 63.200 -0.222 0.000 1.307 524 S HN 0.751 nan 8.310 nan 0.000 0.592 525 N N -0.928 117.874 118.700 0.171 0.000 2.227 525 N HA 0.211 4.951 4.740 0.000 0.000 0.196 525 N C -0.881 174.819 175.510 0.316 0.000 1.142 525 N CA -0.001 53.174 53.050 0.207 0.000 0.887 525 N CB 0.076 38.676 38.487 0.189 0.000 1.022 525 N HN 0.494 nan 8.380 nan 0.000 0.500 526 F N 3.656 123.733 119.950 0.211 0.000 2.519 526 F HA 0.043 4.570 4.527 0.000 0.000 0.381 526 F C 0.469 176.510 175.800 0.402 0.000 1.076 526 F CA 0.424 58.651 58.000 0.379 0.000 1.095 526 F CB 0.065 39.259 39.000 0.323 0.000 1.046 526 F HN -0.270 nan 8.300 nan 0.000 0.559 527 R N 5.375 126.074 120.500 0.332 0.000 2.626 527 R HA 0.377 4.717 4.340 0.000 0.000 0.274 527 R C -1.029 175.201 176.300 -0.116 0.000 1.031 527 R CA -1.139 55.004 56.100 0.072 0.000 0.898 527 R CB 1.793 32.123 30.300 0.050 0.000 1.222 527 R HN 0.533 nan 8.270 nan 0.000 0.455 528 L N 3.148 123.999 121.223 -0.620 0.000 2.467 528 L HA 0.228 4.568 4.340 0.000 0.000 0.270 528 L C -1.700 174.920 176.870 -0.417 0.000 1.205 528 L CA -1.350 53.083 54.840 -0.678 0.000 0.828 528 L CB 0.124 41.680 42.059 -0.838 0.000 1.101 528 L HN 0.238 nan 8.230 nan 0.000 0.479 529 P HA 0.012 nan 4.420 nan 0.000 0.267 529 P C 0.125 177.183 177.300 -0.403 0.000 1.201 529 P CA 0.056 62.740 63.100 -0.693 0.000 0.775 529 P CB 0.594 31.747 31.700 -0.911 0.000 0.854 530 S N 0.054 115.573 115.700 -0.302 0.000 2.356 530 S HA -0.108 4.362 4.470 0.000 0.000 0.223 530 S C 0.992 175.473 174.600 -0.198 0.000 1.032 530 S CA 1.027 59.108 58.200 -0.198 0.000 1.005 530 S CB -0.583 62.547 63.200 -0.117 0.000 0.867 530 S HN 0.567 nan 8.310 nan 0.000 0.449 531 N N 2.135 120.725 118.700 -0.183 0.000 2.430 531 N HA 0.176 4.916 4.740 0.000 0.000 0.265 531 N C -2.321 173.084 175.510 -0.175 0.000 1.100 531 N CA -1.742 51.222 53.050 -0.143 0.000 0.961 531 N CB 1.397 39.832 38.487 -0.087 0.000 1.075 531 N HN -0.064 nan 8.380 nan 0.000 0.478 532 P HA -0.030 nan 4.420 nan 0.000 0.219 532 P C 0.923 178.189 177.300 -0.057 0.000 1.146 532 P CA 0.976 63.962 63.100 -0.190 0.000 0.808 532 P CB 0.438 31.974 31.700 -0.274 0.000 0.779 533 S N -1.819 113.857 115.700 -0.041 0.000 2.428 533 S HA -0.026 4.444 4.470 0.000 0.000 0.230 533 S C 0.883 175.471 174.600 -0.019 0.000 1.014 533 S CA 0.806 59.004 58.200 -0.004 0.000 0.957 533 S CB -0.952 62.250 63.200 0.003 0.000 0.784 533 S HN 0.223 nan 8.310 nan 0.000 0.499 534 T N 4.523 119.041 114.554 -0.060 0.000 2.902 534 T HA 0.157 4.507 4.350 0.000 0.000 0.301 534 T C -2.468 172.174 174.700 -0.096 0.000 1.012 534 T CA -0.767 61.298 62.100 -0.058 0.000 1.151 534 T CB 0.564 69.365 68.868 -0.110 0.000 0.946 534 T HN 0.099 nan 8.240 nan 0.000 0.542 535 P HA 0.293 nan 4.420 nan 0.000 0.269 535 P C -0.969 176.267 177.300 -0.108 0.000 1.215 535 P CA -0.384 62.665 63.100 -0.086 0.000 0.780 535 P CB 0.553 32.247 31.700 -0.009 0.000 0.898 536 V N 4.080 123.856 119.914 -0.230 0.000 2.638 536 V HA 0.423 4.543 4.120 0.000 0.000 0.306 536 V C -0.077 176.034 176.094 0.029 0.000 1.052 536 V CA -0.445 61.797 62.300 -0.096 0.000 0.885 536 V CB 1.849 33.456 31.823 -0.359 0.000 0.999 536 V HN 0.378 nan 8.190 nan 0.000 0.424 537 I N 5.346 126.009 120.570 0.155 0.000 2.410 537 I HA 0.498 4.668 4.170 0.000 0.000 0.286 537 I C -0.549 175.627 176.117 0.099 0.000 1.009 537 I CA -0.283 61.087 61.300 0.117 0.000 1.111 537 I CB 1.684 39.730 38.000 0.077 0.000 1.262 537 I HN 0.442 nan 8.210 nan 0.000 0.443 538 M N 7.457 126.996 119.600 -0.101 0.000 2.227 538 M HA 0.562 5.042 4.480 0.000 0.000 0.335 538 M C -0.877 175.148 176.300 -0.460 0.000 1.053 538 M CA -0.309 54.609 55.300 -0.636 0.000 0.973 538 M CB 2.150 33.977 32.600 -1.289 0.000 1.623 538 M HN 0.376 nan 8.290 nan 0.000 0.434 539 I N 2.219 122.616 120.570 -0.289 0.000 2.410 539 I HA 0.665 4.835 4.170 0.000 0.000 0.286 539 I C 0.073 176.380 176.117 0.318 0.000 1.009 539 I CA -0.527 60.792 61.300 0.031 0.000 1.111 539 I CB 1.984 39.993 38.000 0.014 0.000 1.262 539 I HN 0.862 nan 8.210 nan 0.000 0.443 540 G N 6.622 115.633 108.800 0.351 0.000 2.618 540 G HA2 0.513 4.473 3.960 0.000 0.000 0.289 540 G HA3 0.513 4.473 3.960 0.000 0.000 0.289 540 G C -3.234 171.850 174.900 0.306 0.000 1.493 540 G CA -1.013 44.367 45.100 0.466 0.000 1.133 540 G HN 0.206 nan 8.290 nan 0.000 0.578 541 P HA 0.427 nan 4.420 nan 0.000 0.275 541 P C 1.203 178.554 177.300 0.085 0.000 1.227 541 P CA 1.214 64.301 63.100 -0.022 0.000 0.781 541 P CB 1.504 33.107 31.700 -0.162 0.000 0.906 542 G N 2.524 111.386 108.800 0.104 0.000 2.614 542 G HA2 -0.347 3.613 3.960 0.000 0.000 0.303 542 G HA3 -0.347 3.613 3.960 0.000 0.000 0.303 542 G C 1.184 176.367 174.900 0.472 0.000 1.270 542 G CA 0.908 46.189 45.100 0.302 0.000 0.988 542 G HN 0.602 nan 8.290 nan 0.000 0.551 543 T N -0.919 113.885 114.554 0.418 0.000 3.077 543 T HA 0.191 4.541 4.350 0.000 0.000 0.269 543 T C 2.298 177.276 174.700 0.464 0.000 1.146 543 T CA 1.556 63.931 62.100 0.458 0.000 1.091 543 T CB -0.495 68.658 68.868 0.475 0.000 0.892 543 T HN 1.809 nan 8.240 nan 0.000 0.533 544 G N 0.621 109.624 108.800 0.338 0.000 2.708 544 G HA2 -0.006 3.954 3.960 0.000 0.000 0.210 544 G HA3 -0.006 3.954 3.960 0.000 0.000 0.210 544 G C 1.327 176.364 174.900 0.227 0.000 1.141 544 G CA 0.433 45.661 45.100 0.213 0.000 0.788 544 G HN 0.516 nan 8.290 nan 0.000 0.531 545 V N 0.308 120.432 119.914 0.351 0.000 3.541 545 V HA 0.333 4.453 4.120 0.000 0.000 0.267 545 V C 2.737 178.979 176.094 0.248 0.000 1.213 545 V CA 1.352 63.885 62.300 0.387 0.000 1.149 545 V CB -0.169 31.848 31.823 0.324 0.000 0.822 545 V HN 0.385 nan 8.190 nan 0.000 0.462 546 A N 1.401 124.349 122.820 0.212 0.000 1.884 546 A HA -0.152 4.168 4.320 0.000 0.000 0.219 546 A C 0.411 178.001 177.584 0.010 0.000 1.197 546 A CA 2.431 54.571 52.037 0.172 0.000 0.637 546 A CB -2.028 17.090 19.000 0.197 0.000 0.827 546 A HN 0.589 nan 8.150 nan 0.000 0.450 547 P HA -0.140 nan 4.420 nan 0.000 0.215 547 P C 1.141 178.204 177.300 -0.396 0.000 1.153 547 P CA 1.220 64.103 63.100 -0.361 0.000 0.853 547 P CB -0.233 31.052 31.700 -0.691 0.000 0.788 548 F N -0.756 119.124 119.950 -0.116 0.000 2.293 548 F HA -0.095 4.432 4.527 0.000 0.000 0.300 548 F C 2.710 178.588 175.800 0.129 0.000 1.086 548 F CA 0.491 58.449 58.000 -0.069 0.000 1.375 548 F CB -0.449 38.561 39.000 0.017 0.000 1.045 548 F HN -0.184 nan 8.300 nan 0.000 0.516 549 R N 1.046 121.719 120.500 0.289 0.000 2.073 549 R HA -0.100 4.240 4.340 0.000 0.000 0.234 549 R C 2.509 178.776 176.300 -0.055 0.000 1.134 549 R CA 1.576 57.729 56.100 0.089 0.000 0.952 549 R CB -0.926 29.308 30.300 -0.110 0.000 0.850 549 R HN 0.296 nan 8.270 nan 0.000 0.433 550 G N 0.282 109.108 108.800 0.042 0.000 2.446 550 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 550 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 550 G C 1.138 176.139 174.900 0.168 0.000 1.168 550 G CA 0.602 45.751 45.100 0.082 0.000 0.771 550 G HN 0.254 nan 8.290 nan 0.000 0.551 551 F N 0.624 120.569 119.950 -0.008 0.000 2.091 551 F HA -0.056 4.471 4.527 0.000 0.000 0.299 551 F C 2.567 178.285 175.800 -0.137 0.000 1.103 551 F CA 0.472 58.452 58.000 -0.033 0.000 1.228 551 F CB -0.694 38.349 39.000 0.071 0.000 0.984 551 F HN 0.029 nan 8.300 nan 0.000 0.477 552 I N -0.179 120.397 120.570 0.009 0.000 2.252 552 I HA -0.210 3.960 4.170 0.000 0.000 0.245 552 I C 2.429 178.299 176.117 -0.411 0.000 1.102 552 I CA 1.241 62.349 61.300 -0.319 0.000 1.385 552 I CB -0.646 37.050 38.000 -0.507 0.000 1.064 552 I HN -0.006 nan 8.210 nan 0.000 0.414 553 R N -0.228 120.034 120.500 -0.397 0.000 2.120 553 R HA -0.210 4.130 4.340 0.000 0.000 0.234 553 R C 2.144 178.358 176.300 -0.144 0.000 1.123 553 R CA 1.333 57.260 56.100 -0.288 0.000 0.975 553 R CB -0.234 29.938 30.300 -0.212 0.000 0.866 553 R HN 0.334 nan 8.270 nan 0.000 0.446 554 E N 0.466 120.593 120.200 -0.121 0.000 2.028 554 E HA -0.132 4.218 4.350 0.000 0.000 0.191 554 E C 1.946 178.492 176.600 -0.090 0.000 0.988 554 E CA 1.101 57.442 56.400 -0.098 0.000 0.799 554 E CB 0.182 29.800 29.700 -0.137 0.000 0.755 554 E HN 0.014 nan 8.360 nan 0.000 0.447 555 R N 0.057 120.458 120.500 -0.164 0.000 2.096 555 R HA -0.073 4.267 4.340 0.000 0.000 0.235 555 R C 2.362 178.629 176.300 -0.056 0.000 1.127 555 R CA 1.069 57.065 56.100 -0.174 0.000 0.968 555 R CB -1.026 29.057 30.300 -0.362 0.000 0.861 555 R HN 0.216 nan 8.270 nan 0.000 0.440 556 V N 1.140 120.992 119.914 -0.102 0.000 2.358 556 V HA -0.174 3.946 4.120 0.000 0.000 0.246 556 V C 2.519 178.621 176.094 0.013 0.000 1.047 556 V CA 1.662 63.940 62.300 -0.038 0.000 1.035 556 V CB -0.864 30.941 31.823 -0.029 0.000 0.658 556 V HN 0.295 nan 8.190 nan 0.000 0.452 557 A N 0.172 122.998 122.820 0.010 0.000 1.841 557 A HA -0.271 4.049 4.320 0.000 0.000 0.216 557 A C 2.132 179.740 177.584 0.040 0.000 1.199 557 A CA 2.188 54.237 52.037 0.019 0.000 0.621 557 A CB -0.933 18.073 19.000 0.011 0.000 0.835 557 A HN 0.521 nan 8.150 nan 0.000 0.445 558 F N 0.236 120.138 119.950 -0.080 0.000 2.063 558 F HA -0.268 4.259 4.527 0.000 0.000 0.298 558 F C 1.853 177.616 175.800 -0.061 0.000 1.105 558 F CA 2.244 60.200 58.000 -0.074 0.000 1.215 558 F CB -0.486 38.459 39.000 -0.091 0.000 0.972 558 F HN 0.184 nan 8.300 nan 0.000 0.483 559 L N 0.734 122.020 121.223 0.106 0.000 2.263 559 L HA -0.207 4.133 4.340 0.000 0.000 0.216 559 L C 2.163 178.956 176.870 -0.128 0.000 1.111 559 L CA 1.635 56.463 54.840 -0.020 0.000 0.773 559 L CB -0.814 41.290 42.059 0.076 0.000 0.906 559 L HN 0.194 nan 8.230 nan 0.000 0.439 560 E N -0.918 119.216 120.200 -0.109 0.000 2.028 560 E HA -0.093 4.257 4.350 0.000 0.000 0.190 560 E C 2.274 178.785 176.600 -0.148 0.000 0.984 560 E CA 1.324 57.667 56.400 -0.095 0.000 0.800 560 E CB -0.697 28.969 29.700 -0.057 0.000 0.758 560 E HN 0.432 nan 8.360 nan 0.000 0.448 561 S N 2.079 117.658 115.700 -0.201 0.000 2.372 561 S HA -0.213 4.258 4.470 0.000 0.000 0.227 561 S C 1.806 176.252 174.600 -0.257 0.000 1.044 561 S CA 1.396 59.462 58.200 -0.222 0.000 1.050 561 S CB -0.307 62.731 63.200 -0.271 0.000 0.901 561 S HN 0.221 nan 8.310 nan 0.000 0.447 562 Q N 1.104 120.669 119.800 -0.392 0.000 2.234 562 Q HA -0.008 4.332 4.340 0.000 0.000 0.206 562 Q C 1.713 177.613 176.000 -0.167 0.000 0.980 562 Q CA 1.156 56.772 55.803 -0.312 0.000 0.869 562 Q CB -0.382 28.127 28.738 -0.382 0.000 0.912 562 Q HN 0.586 nan 8.270 nan 0.000 0.436 563 K N 0.242 120.559 120.400 -0.140 0.000 2.418 563 K HA 0.024 4.344 4.320 0.000 0.000 0.195 563 K C 1.128 177.686 176.600 -0.069 0.000 1.035 563 K CA 0.438 56.675 56.287 -0.083 0.000 1.003 563 K CB 0.306 32.767 32.500 -0.064 0.000 0.793 563 K HN 0.047 nan 8.250 nan 0.000 0.494 564 K N -0.403 119.948 120.400 -0.082 0.000 2.414 564 K HA 0.113 4.433 4.320 0.000 0.000 0.204 564 K C 0.804 177.366 176.600 -0.064 0.000 1.026 564 K CA -0.088 56.162 56.287 -0.063 0.000 1.108 564 K CB 1.474 33.938 32.500 -0.060 0.000 0.855 564 K HN 0.101 nan 8.250 nan 0.000 0.517 565 G N -0.411 108.343 108.800 -0.076 0.000 3.651 565 G HA2 0.262 4.222 3.960 0.000 0.000 0.267 565 G HA3 0.262 4.222 3.960 0.000 0.000 0.267 565 G C 0.835 175.701 174.900 -0.056 0.000 1.009 565 G CA 0.172 45.230 45.100 -0.068 0.000 0.866 565 G HN 0.273 nan 8.290 nan 0.000 0.488 566 G N 1.447 110.216 108.800 -0.051 0.000 5.260 566 G HA2 -0.421 3.539 3.960 0.000 0.000 0.276 566 G HA3 -0.421 3.539 3.960 0.000 0.000 0.276 566 G C 0.715 175.593 174.900 -0.037 0.000 1.357 566 G CA 0.394 45.471 45.100 -0.037 0.000 1.008 566 G HN 0.638 nan 8.290 nan 0.000 0.777 567 N N 3.169 121.848 118.700 -0.035 0.000 2.328 567 N HA -0.009 4.731 4.740 0.000 0.000 0.290 567 N C -0.206 175.284 175.510 -0.032 0.000 1.355 567 N CA 0.436 53.471 53.050 -0.026 0.000 1.009 567 N CB -0.719 37.755 38.487 -0.021 0.000 1.426 567 N HN 0.479 nan 8.380 nan 0.000 0.488 568 N N 1.209 119.898 118.700 -0.018 0.000 2.518 568 N HA 0.172 4.912 4.740 0.000 0.000 0.283 568 N C -0.241 175.287 175.510 0.030 0.000 1.119 568 N CA -0.319 52.726 53.050 -0.009 0.000 0.983 568 N CB 1.743 40.229 38.487 -0.002 0.000 1.139 568 N HN 0.189 nan 8.380 nan 0.000 0.465 569 V N -0.501 119.457 119.914 0.073 0.000 2.459 569 V HA 0.501 4.621 4.120 0.000 0.000 0.295 569 V C 0.527 176.692 176.094 0.117 0.000 1.029 569 V CA -1.089 61.280 62.300 0.115 0.000 0.874 569 V CB 1.121 33.068 31.823 0.206 0.000 0.985 569 V HN 0.662 nan 8.190 nan 0.000 0.438 570 S N 5.383 121.133 115.700 0.083 0.000 2.533 570 S HA 0.468 4.938 4.470 0.000 0.000 0.282 570 S C -0.415 174.237 174.600 0.087 0.000 1.304 570 S CA -0.424 57.822 58.200 0.076 0.000 1.063 570 S CB 0.947 64.182 63.200 0.058 0.000 0.881 570 S HN 1.077 nan 8.310 nan 0.000 0.493 571 L N 4.490 125.771 121.223 0.096 0.000 2.265 571 L HA 0.598 4.938 4.340 0.000 0.000 0.288 571 L C 0.887 177.844 176.870 0.145 0.000 1.058 571 L CA 0.256 55.160 54.840 0.107 0.000 0.809 571 L CB 0.376 42.478 42.059 0.071 0.000 1.179 571 L HN 1.000 nan 8.230 nan 0.000 0.429 572 G N 3.116 112.006 108.800 0.149 0.000 2.732 572 G HA2 0.064 4.024 3.960 0.000 0.000 0.244 572 G HA3 0.064 4.024 3.960 0.000 0.000 0.244 572 G C -0.413 174.614 174.900 0.213 0.000 1.226 572 G CA -0.554 44.615 45.100 0.115 0.000 0.860 572 G HN 0.720 nan 8.290 nan 0.000 0.583 573 K N 0.115 120.585 120.400 0.117 0.000 2.401 573 K HA 0.120 4.440 4.320 0.000 0.000 0.278 573 K C -0.189 176.478 176.600 0.111 0.000 1.018 573 K CA 0.314 56.690 56.287 0.148 0.000 0.981 573 K CB -0.017 32.532 32.500 0.083 0.000 0.933 573 K HN 0.579 nan 8.250 nan 0.000 0.477 574 H N 4.567 123.715 119.070 0.130 0.000 2.800 574 H HA 0.319 4.875 4.556 0.000 0.000 0.322 574 H C -0.861 174.584 175.328 0.195 0.000 0.979 574 H CA -0.751 55.401 56.048 0.175 0.000 1.277 574 H CB 1.136 31.023 29.762 0.209 0.000 1.484 574 H HN 0.518 nan 8.280 nan 0.000 0.512 575 I N 4.374 125.020 120.570 0.126 0.000 2.493 575 I HA 0.280 4.450 4.170 0.000 0.000 0.298 575 I C -1.423 174.600 176.117 -0.157 0.000 0.998 575 I CA -1.077 60.160 61.300 -0.105 0.000 1.137 575 I CB 1.550 39.446 38.000 -0.172 0.000 1.310 575 I HN 0.327 nan 8.210 nan 0.000 0.445 576 L N 7.785 128.785 121.223 -0.371 0.000 2.381 576 L HA 0.576 4.916 4.340 0.000 0.000 0.274 576 L C -1.825 174.718 176.870 -0.544 0.000 0.988 576 L CA -0.013 54.632 54.840 -0.324 0.000 0.824 576 L CB 1.512 43.487 42.059 -0.140 0.000 1.263 576 L HN 0.405 nan 8.230 nan 0.000 0.410 577 F N 5.818 125.628 119.950 -0.233 0.000 2.375 577 F HA 0.427 4.954 4.527 0.000 0.000 0.361 577 F C -0.522 175.210 175.800 -0.113 0.000 1.117 577 F CA -0.336 57.539 58.000 -0.208 0.000 1.037 577 F CB 0.997 39.877 39.000 -0.200 0.000 1.192 577 F HN 0.434 nan 8.300 nan 0.000 0.452 578 Y N 1.963 122.162 120.300 -0.169 0.000 2.567 578 Y HA 0.868 5.418 4.550 0.000 0.000 0.333 578 Y C -0.269 175.504 175.900 -0.213 0.000 1.106 578 Y CA -1.598 56.385 58.100 -0.195 0.000 1.157 578 Y CB 2.091 40.338 38.460 -0.355 0.000 1.277 578 Y HN 0.593 nan 8.280 nan 0.000 0.490 579 G N 1.607 109.764 108.800 -1.072 0.000 2.733 579 G HA2 0.597 4.557 3.960 0.000 0.000 0.297 579 G HA3 0.597 4.557 3.960 0.000 0.000 0.297 579 G C -1.848 172.473 174.900 -0.965 0.000 1.422 579 G CA -0.391 44.187 45.100 -0.870 0.000 0.942 579 G HN 1.156 nan 8.290 nan 0.000 0.510 580 S N 0.176 115.553 115.700 -0.538 0.000 2.611 580 S HA 0.478 4.948 4.470 0.000 0.000 0.268 580 S C 0.770 175.391 174.600 0.034 0.000 1.156 580 S CA -0.856 57.207 58.200 -0.228 0.000 0.817 580 S CB 1.633 64.710 63.200 -0.206 0.000 1.122 580 S HN 0.656 nan 8.310 nan 0.000 0.466 581 R N 1.547 122.044 120.500 -0.005 0.000 2.088 581 R HA 0.013 4.353 4.340 0.000 0.000 0.232 581 R C 1.043 177.317 176.300 -0.045 0.000 1.136 581 R CA 2.125 58.224 56.100 -0.001 0.000 0.926 581 R CB -0.531 29.745 30.300 -0.041 0.000 0.837 581 R HN 0.881 nan 8.270 nan 0.000 0.429 582 N N -2.086 116.516 118.700 -0.164 0.000 3.600 582 N HA 0.075 4.815 4.740 0.000 0.000 0.348 582 N C 0.246 175.524 175.510 -0.387 0.000 1.649 582 N CA -0.095 52.744 53.050 -0.351 0.000 0.710 582 N CB 0.637 39.011 38.487 -0.188 0.000 2.380 582 N HN -0.108 nan 8.380 nan 0.000 0.631 583 T N -3.056 111.354 114.554 -0.240 0.000 3.100 583 T HA 0.101 4.451 4.350 0.000 0.000 0.253 583 T C 0.320 175.025 174.700 0.010 0.000 1.118 583 T CA 0.684 62.757 62.100 -0.045 0.000 1.058 583 T CB -0.263 68.586 68.868 -0.032 0.000 0.953 583 T HN 0.281 nan 8.240 nan 0.000 0.515 584 D N 2.446 122.801 120.400 -0.075 0.000 2.333 584 D HA 0.007 4.647 4.640 0.000 0.000 0.208 584 D C 0.965 177.108 176.300 -0.261 0.000 0.984 584 D CA 0.709 54.654 54.000 -0.092 0.000 0.873 584 D CB -0.012 40.733 40.800 -0.090 0.000 0.935 584 D HN 0.684 nan 8.370 nan 0.000 0.521 585 D N -0.556 119.606 120.400 -0.397 0.000 2.593 585 D HA -0.040 4.600 4.640 0.000 0.000 0.241 585 D C -0.344 175.900 176.300 -0.092 0.000 1.257 585 D CA -0.743 52.681 54.000 -0.960 0.000 0.828 585 D CB -1.357 38.733 40.800 -1.183 0.000 1.049 585 D HN 0.069 nan 8.370 nan 0.000 0.490 586 F N 1.955 121.940 119.950 0.059 0.000 2.509 586 F HA 0.269 4.797 4.527 0.000 0.000 0.350 586 F C 0.283 176.315 175.800 0.386 0.000 1.220 586 F CA -1.002 57.214 58.000 0.360 0.000 1.151 586 F CB 0.224 39.415 39.000 0.319 0.000 1.379 586 F HN -0.190 nan 8.300 nan 0.000 0.610 587 L N 6.669 128.346 121.223 0.758 0.000 2.559 587 L HA -0.156 4.184 4.340 0.000 0.000 0.282 587 L C 0.330 177.607 176.870 0.680 0.000 1.232 587 L CA 0.174 55.328 54.840 0.524 0.000 0.885 587 L CB -0.184 42.150 42.059 0.459 0.000 1.131 587 L HN 0.666 nan 8.230 nan 0.000 0.498 588 Y N 0.739 121.284 120.300 0.408 0.000 3.414 588 Y HA -0.374 4.176 4.550 0.000 0.000 0.214 588 Y C 1.822 177.845 175.900 0.205 0.000 1.153 588 Y CA 0.996 59.195 58.100 0.165 0.000 1.363 588 Y CB -1.653 36.772 38.460 -0.058 0.000 1.370 588 Y HN 0.666 nan 8.280 nan 0.000 0.605 589 Q N 0.629 120.671 119.800 0.404 0.000 2.118 589 Q HA -0.303 4.037 4.340 0.000 0.000 0.211 589 Q C 1.457 177.471 176.000 0.023 0.000 0.998 589 Q CA 2.481 58.310 55.803 0.043 0.000 0.872 589 Q CB -0.092 28.399 28.738 -0.411 0.000 0.925 589 Q HN 0.646 nan 8.270 nan 0.000 0.414 590 D N -0.298 120.083 120.400 -0.032 0.000 2.178 590 D HA -0.123 4.517 4.640 0.000 0.000 0.202 590 D C 1.541 177.752 176.300 -0.148 0.000 0.974 590 D CA 1.241 55.195 54.000 -0.077 0.000 0.841 590 D CB 0.035 40.788 40.800 -0.079 0.000 0.953 590 D HN 0.434 nan 8.370 nan 0.000 0.478 591 E N -0.544 119.493 120.200 -0.271 0.000 2.046 591 E HA -0.137 4.213 4.350 0.000 0.000 0.190 591 E C 2.011 178.255 176.600 -0.594 0.000 0.982 591 E CA 0.632 56.671 56.400 -0.602 0.000 0.800 591 E CB -0.218 29.033 29.700 -0.748 0.000 0.756 591 E HN 0.428 nan 8.360 nan 0.000 0.449 592 W N 0.749 122.121 121.300 0.120 0.000 2.290 592 W HA -0.174 4.486 4.660 0.000 0.000 0.311 592 W C -0.659 175.997 176.519 0.229 0.000 1.238 592 W CA 0.767 58.318 57.345 0.343 0.000 1.255 592 W CB -1.717 27.983 29.460 0.400 0.000 1.145 592 W HN 0.241 nan 8.180 nan 0.000 0.506 593 P HA -0.181 nan 4.420 nan 0.000 0.217 593 P C 1.384 178.739 177.300 0.093 0.000 1.150 593 P CA 1.822 65.024 63.100 0.170 0.000 0.832 593 P CB -0.066 31.685 31.700 0.086 0.000 0.787 594 E N -1.108 119.058 120.200 -0.057 0.000 2.047 594 E HA -0.171 4.179 4.350 0.000 0.000 0.191 594 E C 2.219 178.805 176.600 -0.024 0.000 0.987 594 E CA 1.329 57.660 56.400 -0.116 0.000 0.799 594 E CB -1.106 28.419 29.700 -0.291 0.000 0.752 594 E HN 0.463 nan 8.360 nan 0.000 0.449 595 Y N 1.324 121.647 120.300 0.038 0.000 2.114 595 Y HA -0.279 4.271 4.550 0.000 0.000 0.282 595 Y C 2.641 178.601 175.900 0.099 0.000 1.165 595 Y CA 0.777 58.881 58.100 0.008 0.000 1.148 595 Y CB -0.375 38.063 38.460 -0.035 0.000 0.972 595 Y HN 0.065 nan 8.280 nan 0.000 0.504 596 A N 0.460 123.548 122.820 0.447 0.000 1.908 596 A HA -0.252 4.068 4.320 0.000 0.000 0.218 596 A C 2.115 179.848 177.584 0.249 0.000 1.181 596 A CA 2.021 54.334 52.037 0.460 0.000 0.627 596 A CB -0.546 18.702 19.000 0.413 0.000 0.818 596 A HN 0.431 nan 8.150 nan 0.000 0.445 597 K N -0.245 120.256 120.400 0.168 0.000 2.026 597 K HA -0.133 4.187 4.320 0.000 0.000 0.208 597 K C 1.926 178.582 176.600 0.094 0.000 1.048 597 K CA 1.656 58.006 56.287 0.105 0.000 0.929 597 K CB -0.209 32.330 32.500 0.064 0.000 0.713 597 K HN 0.441 nan 8.250 nan 0.000 0.439 598 K N 0.587 121.043 120.400 0.094 0.000 2.365 598 K HA -0.010 4.310 4.320 0.000 0.000 0.199 598 K C 1.736 178.377 176.600 0.068 0.000 1.045 598 K CA 0.695 57.025 56.287 0.071 0.000 0.962 598 K CB 0.139 32.679 32.500 0.068 0.000 0.759 598 K HN 0.134 nan 8.250 nan 0.000 0.469 599 L N 0.515 121.797 121.223 0.097 0.000 2.664 599 L HA 0.023 4.363 4.340 0.000 0.000 0.233 599 L C 0.603 177.547 176.870 0.124 0.000 1.113 599 L CA -0.255 54.635 54.840 0.083 0.000 0.896 599 L CB -0.475 41.611 42.059 0.045 0.000 1.163 599 L HN 0.312 nan 8.230 nan 0.000 0.497 600 D N 0.954 121.435 120.400 0.134 0.000 3.565 600 D HA -0.286 4.354 4.640 0.000 0.000 0.257 600 D C 1.098 177.481 176.300 0.138 0.000 1.938 600 D CA 1.451 55.522 54.000 0.118 0.000 1.130 600 D CB -0.762 40.089 40.800 0.084 0.000 0.859 600 D HN 0.151 nan 8.370 nan 0.000 1.039 601 G N -0.908 107.954 108.800 0.104 0.000 2.564 601 G HA2 -0.152 3.808 3.960 0.000 0.000 0.217 601 G HA3 -0.152 3.808 3.960 0.000 0.000 0.217 601 G C 1.649 176.624 174.900 0.124 0.000 1.120 601 G CA 1.509 46.668 45.100 0.098 0.000 0.752 601 G HN 0.469 nan 8.290 nan 0.000 0.558 602 S N -0.891 114.899 115.700 0.150 0.000 2.481 602 S HA 0.150 4.620 4.470 0.000 0.000 0.231 602 S C 0.543 175.316 174.600 0.287 0.000 0.996 602 S CA -0.039 58.271 58.200 0.183 0.000 0.942 602 S CB -0.002 63.283 63.200 0.142 0.000 0.768 602 S HN 0.438 nan 8.310 nan 0.000 0.520 603 F N 1.302 121.296 119.950 0.072 0.000 2.507 603 F HA 0.575 5.102 4.527 0.000 0.000 0.327 603 F C -0.296 175.535 175.800 0.051 0.000 1.068 603 F CA -0.962 57.083 58.000 0.075 0.000 0.965 603 F CB 1.326 40.376 39.000 0.083 0.000 1.192 603 F HN -0.057 nan 8.300 nan 0.000 0.476 604 E N 5.957 125.701 120.200 -0.759 0.000 2.397 604 E HA 0.243 4.593 4.350 0.000 0.000 0.293 604 E C -1.979 174.051 176.600 -0.950 0.000 0.930 604 E CA -0.711 55.291 56.400 -0.663 0.000 0.793 604 E CB 1.825 31.345 29.700 -0.300 0.000 1.259 604 E HN 0.782 nan 8.360 nan 0.000 0.406 605 M N 4.272 123.397 119.600 -0.792 0.000 2.436 605 M HA 0.542 5.022 4.480 0.000 0.000 0.331 605 M C -1.680 174.320 176.300 -0.500 0.000 1.135 605 M CA -0.830 54.081 55.300 -0.648 0.000 0.987 605 M CB 1.879 34.201 32.600 -0.464 0.000 1.687 605 M HN 0.377 nan 8.290 nan 0.000 0.445 606 V N 5.179 124.752 119.914 -0.569 0.000 2.385 606 V HA 0.334 4.454 4.120 0.000 0.000 0.277 606 V C -0.573 175.344 176.094 -0.296 0.000 1.012 606 V CA -0.796 61.208 62.300 -0.493 0.000 0.832 606 V CB 1.238 32.520 31.823 -0.903 0.000 1.028 606 V HN 0.666 nan 8.190 nan 0.000 0.436 607 V N 3.369 123.161 119.914 -0.203 0.000 2.686 607 V HA 0.840 4.960 4.120 0.000 0.000 0.295 607 V C 0.592 176.493 176.094 -0.321 0.000 1.057 607 V CA -0.082 62.055 62.300 -0.271 0.000 1.012 607 V CB 1.663 33.345 31.823 -0.235 0.000 1.006 607 V HN 0.947 nan 8.190 nan 0.000 0.477 608 A N 3.424 125.966 122.820 -0.464 0.000 2.414 608 A HA 0.795 5.115 4.320 0.000 0.000 0.306 608 A C -0.987 176.290 177.584 -0.512 0.000 1.054 608 A CA -0.596 51.233 52.037 -0.347 0.000 0.724 608 A CB 1.183 20.094 19.000 -0.149 0.000 1.267 608 A HN 0.864 nan 8.150 nan 0.000 0.418 609 H N 1.613 120.646 119.070 -0.062 0.000 2.547 609 H HA 0.357 4.913 4.556 0.000 0.000 0.342 609 H C 0.805 176.122 175.328 -0.019 0.000 1.048 609 H CA 0.165 56.176 56.048 -0.062 0.000 1.204 609 H CB 2.125 31.865 29.762 -0.036 0.000 1.493 609 H HN 0.746 nan 8.280 nan 0.000 0.511 610 S N 2.277 118.056 115.700 0.132 0.000 2.524 610 S HA 0.073 4.543 4.470 0.000 0.000 0.216 610 S C 0.971 175.607 174.600 0.060 0.000 0.987 610 S CA 0.025 58.291 58.200 0.110 0.000 0.909 610 S CB 0.342 63.676 63.200 0.224 0.000 0.781 610 S HN 0.540 nan 8.310 nan 0.000 0.521 611 R N 0.506 121.035 120.500 0.048 0.000 2.629 611 R HA 0.413 4.753 4.340 0.000 0.000 0.408 611 R C -0.739 175.556 176.300 -0.009 0.000 1.057 611 R CA -0.237 55.870 56.100 0.012 0.000 1.119 611 R CB 0.300 30.601 30.300 0.002 0.000 1.403 611 R HN 0.327 nan 8.270 nan 0.000 0.576 612 L N 3.030 124.253 121.223 0.000 0.000 2.453 612 L HA 0.164 4.504 4.340 0.000 0.000 0.272 612 L C -1.938 174.926 176.870 -0.010 0.000 1.182 612 L CA -1.574 53.254 54.840 -0.020 0.000 0.858 612 L CB 0.103 42.162 42.059 0.001 0.000 1.120 612 L HN -0.274 nan 8.230 nan 0.000 0.474 613 P HA 0.035 nan 4.420 nan 0.000 0.268 613 P C -0.126 177.171 177.300 -0.005 0.000 1.208 613 P CA -0.007 63.087 63.100 -0.010 0.000 0.777 613 P CB 0.306 31.999 31.700 -0.011 0.000 0.875 614 N N -2.074 116.622 118.700 -0.006 0.000 2.778 614 N HA -0.129 4.611 4.740 0.000 0.000 0.249 614 N C -0.043 175.465 175.510 -0.003 0.000 1.069 614 N CA 1.721 54.769 53.050 -0.004 0.000 0.831 614 N CB -1.990 36.495 38.487 -0.002 0.000 1.142 614 N HN 0.595 nan 8.380 nan 0.000 0.573 615 T N -2.616 111.935 114.554 -0.004 0.000 2.831 615 T HA 0.490 4.840 4.350 0.000 0.000 0.287 615 T C -0.097 174.594 174.700 -0.014 0.000 1.070 615 T CA -1.020 61.078 62.100 -0.004 0.000 1.010 615 T CB 2.857 71.730 68.868 0.008 0.000 1.264 615 T HN 0.195 nan 8.240 nan 0.000 0.532 616 K N 1.033 121.421 120.400 -0.020 0.000 2.205 616 K HA 0.272 4.592 4.320 0.000 0.000 0.279 616 K C -0.065 176.504 176.600 -0.052 0.000 1.027 616 K CA -0.634 55.628 56.287 -0.041 0.000 0.932 616 K CB 0.873 33.346 32.500 -0.045 0.000 1.032 616 K HN 0.649 nan 8.250 nan 0.000 0.466 617 K N 3.380 123.728 120.400 -0.087 0.000 2.453 617 K HA 0.028 4.348 4.320 0.000 0.000 0.280 617 K C -1.124 175.369 176.600 -0.179 0.000 1.045 617 K CA -0.154 56.060 56.287 -0.122 0.000 1.059 617 K CB 0.470 32.857 32.500 -0.188 0.000 0.901 617 K HN 0.327 nan 8.250 nan 0.000 0.475 618 V N 6.553 126.415 119.914 -0.087 0.000 2.448 618 V HA 0.325 4.445 4.120 0.000 0.000 0.295 618 V C -0.657 175.497 176.094 0.100 0.000 1.025 618 V CA -0.721 61.546 62.300 -0.055 0.000 0.859 618 V CB 1.045 32.861 31.823 -0.011 0.000 0.988 618 V HN 0.694 nan 8.190 nan 0.000 0.431 619 Y N 2.189 122.448 120.300 -0.068 0.000 2.568 619 Y HA 0.309 4.859 4.550 0.000 0.000 0.327 619 Y C 1.447 177.293 175.900 -0.091 0.000 1.163 619 Y CA -1.101 56.947 58.100 -0.087 0.000 1.219 619 Y CB 2.207 40.620 38.460 -0.079 0.000 1.308 619 Y HN 0.517 nan 8.280 nan 0.000 0.503 620 V N -1.497 118.445 119.914 0.047 0.000 2.594 620 V HA -0.265 3.855 4.120 0.000 0.000 0.253 620 V C 1.644 177.689 176.094 -0.082 0.000 1.069 620 V CA 1.765 64.050 62.300 -0.025 0.000 1.082 620 V CB -0.653 31.138 31.823 -0.053 0.000 0.680 620 V HN 0.883 nan 8.190 nan 0.000 0.469 621 Q N 0.422 120.202 119.800 -0.033 0.000 2.172 621 Q HA -0.183 4.157 4.340 0.000 0.000 0.200 621 Q C 1.650 177.622 176.000 -0.046 0.000 0.964 621 Q CA 1.811 57.575 55.803 -0.066 0.000 0.855 621 Q CB -0.725 28.005 28.738 -0.013 0.000 0.918 621 Q HN 0.666 nan 8.270 nan 0.000 0.444 622 D N 1.584 121.988 120.400 0.006 0.000 2.097 622 D HA -0.088 4.552 4.640 0.000 0.000 0.197 622 D C 1.791 178.106 176.300 0.025 0.000 0.984 622 D CA 0.910 54.913 54.000 0.005 0.000 0.826 622 D CB 0.061 40.862 40.800 0.002 0.000 0.973 622 D HN 0.198 nan 8.370 nan 0.000 0.460 623 K N 0.678 121.100 120.400 0.038 0.000 2.211 623 K HA -0.002 4.318 4.320 0.000 0.000 0.203 623 K C 2.359 179.007 176.600 0.081 0.000 1.050 623 K CA 0.080 56.444 56.287 0.128 0.000 0.945 623 K CB -0.189 32.414 32.500 0.172 0.000 0.732 623 K HN 0.241 nan 8.250 nan 0.000 0.451 624 L N 0.794 121.899 121.223 -0.198 0.000 2.093 624 L HA -0.149 4.191 4.340 0.000 0.000 0.208 624 L C 2.595 179.419 176.870 -0.078 0.000 1.085 624 L CA 1.186 55.803 54.840 -0.372 0.000 0.755 624 L CB -0.224 41.563 42.059 -0.453 0.000 0.904 624 L HN 0.139 nan 8.230 nan 0.000 0.435 625 K N -0.275 120.111 120.400 -0.023 0.000 2.228 625 K HA -0.149 4.171 4.320 0.000 0.000 0.202 625 K C 1.522 178.159 176.600 0.061 0.000 1.051 625 K CA 1.075 57.367 56.287 0.009 0.000 0.960 625 K CB 0.145 32.639 32.500 -0.010 0.000 0.743 625 K HN 0.215 nan 8.250 nan 0.000 0.458 626 D N -0.060 120.416 120.400 0.127 0.000 2.144 626 D HA -0.155 4.485 4.640 0.000 0.000 0.199 626 D C 0.460 176.834 176.300 0.122 0.000 0.984 626 D CA 1.217 55.296 54.000 0.131 0.000 0.834 626 D CB 0.020 40.949 40.800 0.216 0.000 0.955 626 D HN 0.273 nan 8.370 nan 0.000 0.465 627 Y N 1.101 121.449 120.300 0.080 0.000 2.811 627 Y HA 0.134 4.684 4.550 0.000 0.000 0.330 627 Y C 1.564 177.517 175.900 0.088 0.000 1.081 627 Y CA -0.576 57.593 58.100 0.115 0.000 1.408 627 Y CB -0.454 38.154 38.460 0.247 0.000 1.235 627 Y HN 0.063 nan 8.280 nan 0.000 0.529 628 E N -1.138 119.152 120.200 0.151 0.000 2.110 628 E HA -0.212 4.138 4.350 0.000 0.000 0.193 628 E C 0.759 177.442 176.600 0.138 0.000 0.988 628 E CA 1.829 58.290 56.400 0.101 0.000 0.804 628 E CB -0.018 29.696 29.700 0.023 0.000 0.745 628 E HN 0.255 nan 8.360 nan 0.000 0.458 629 D N 0.894 121.361 120.400 0.111 0.000 2.084 629 D HA -0.203 4.437 4.640 0.000 0.000 0.194 629 D C 2.035 178.444 176.300 0.181 0.000 0.990 629 D CA 1.585 55.668 54.000 0.139 0.000 0.826 629 D CB -0.405 40.439 40.800 0.073 0.000 0.971 629 D HN 0.329 nan 8.370 nan 0.000 0.453 630 Q N 0.521 120.423 119.800 0.171 0.000 2.002 630 Q HA -0.159 4.182 4.340 0.000 0.000 0.204 630 Q C 2.104 178.215 176.000 0.184 0.000 0.988 630 Q CA 1.708 57.620 55.803 0.182 0.000 0.843 630 Q CB -0.189 28.700 28.738 0.253 0.000 0.908 630 Q HN 0.075 nan 8.270 nan 0.000 0.420 631 V N 0.648 120.695 119.914 0.221 0.000 2.324 631 V HA -0.254 3.866 4.120 0.000 0.000 0.250 631 V C 2.096 178.284 176.094 0.157 0.000 1.060 631 V CA 2.043 64.445 62.300 0.171 0.000 1.042 631 V CB -0.802 31.098 31.823 0.128 0.000 0.650 631 V HN 0.467 nan 8.190 nan 0.000 0.450 632 F N 1.059 121.029 119.950 0.033 0.000 2.102 632 F HA -0.180 4.347 4.527 0.000 0.000 0.298 632 F C 2.484 178.296 175.800 0.020 0.000 1.105 632 F CA 2.253 60.263 58.000 0.016 0.000 1.239 632 F CB -0.438 38.571 39.000 0.013 0.000 0.991 632 F HN 0.265 nan 8.300 nan 0.000 0.474 633 E N 0.060 120.275 120.200 0.025 0.000 2.023 633 E HA -0.284 4.066 4.350 0.000 0.000 0.196 633 E C 2.310 178.845 176.600 -0.109 0.000 1.003 633 E CA 2.105 58.456 56.400 -0.082 0.000 0.809 633 E CB -0.273 29.446 29.700 0.032 0.000 0.755 633 E HN 0.468 nan 8.360 nan 0.000 0.449 634 M N 0.310 119.895 119.600 -0.026 0.000 2.082 634 M HA -0.232 4.248 4.480 0.000 0.000 0.258 634 M C 2.457 178.721 176.300 -0.060 0.000 1.069 634 M CA 1.567 56.857 55.300 -0.017 0.000 1.102 634 M CB -0.462 32.156 32.600 0.030 0.000 1.336 634 M HN 0.260 nan 8.290 nan 0.000 0.404 635 I N 0.269 120.782 120.570 -0.095 0.000 2.361 635 I HA -0.295 3.875 4.170 0.000 0.000 0.251 635 I C 1.881 177.889 176.117 -0.183 0.000 1.133 635 I CA 1.054 62.280 61.300 -0.124 0.000 1.413 635 I CB -0.593 37.339 38.000 -0.113 0.000 1.073 635 I HN 0.400 nan 8.210 nan 0.000 0.424 636 N N 1.041 119.563 118.700 -0.297 0.000 2.550 636 N HA -0.073 4.667 4.740 0.000 0.000 0.186 636 N C 0.693 176.115 175.510 -0.148 0.000 1.110 636 N CA 0.646 53.526 53.050 -0.284 0.000 0.912 636 N CB -0.112 38.119 38.487 -0.426 0.000 0.968 636 N HN 0.408 nan 8.380 nan 0.000 0.448 637 N N 0.048 118.686 118.700 -0.103 0.000 2.279 637 N HA 0.088 4.828 4.740 0.000 0.000 0.226 637 N C 0.863 176.363 175.510 -0.015 0.000 1.126 637 N CA 0.158 53.179 53.050 -0.048 0.000 0.846 637 N CB 0.820 39.289 38.487 -0.030 0.000 1.050 637 N HN 0.205 nan 8.380 nan 0.000 0.502 638 G N 0.443 109.229 108.800 -0.025 0.000 2.148 638 G HA2 -0.302 3.658 3.960 0.000 0.000 0.254 638 G HA3 -0.302 3.658 3.960 0.000 0.000 0.254 638 G C 0.469 175.426 174.900 0.093 0.000 0.981 638 G CA 0.246 45.358 45.100 0.019 0.000 0.670 638 G HN 0.605 nan 8.290 nan 0.000 0.528 639 A N -0.747 122.108 122.820 0.059 0.000 2.577 639 A HA 0.504 4.824 4.320 0.000 0.000 0.233 639 A C 0.065 177.761 177.584 0.188 0.000 1.076 639 A CA 0.616 52.724 52.037 0.118 0.000 0.767 639 A CB 0.167 19.192 19.000 0.042 0.000 1.017 639 A HN 0.827 nan 8.150 nan 0.000 0.511 640 F N -0.260 119.670 119.950 -0.033 0.000 2.443 640 F HA 0.538 5.065 4.527 0.000 0.000 0.335 640 F C 0.313 176.028 175.800 -0.142 0.000 1.104 640 F CA -0.602 57.345 58.000 -0.088 0.000 1.013 640 F CB 1.635 40.642 39.000 0.012 0.000 1.136 640 F HN 0.327 nan 8.300 nan 0.000 0.470 641 I N 4.309 124.726 120.570 -0.254 0.000 2.339 641 I HA 0.261 4.431 4.170 0.000 0.000 0.290 641 I C -1.264 174.589 176.117 -0.440 0.000 0.994 641 I CA -0.732 60.364 61.300 -0.340 0.000 1.191 641 I CB 0.890 38.490 38.000 -0.666 0.000 1.343 641 I HN 0.411 nan 8.210 nan 0.000 0.458 642 Y N 5.145 125.446 120.300 0.001 0.000 2.341 642 Y HA 0.557 5.107 4.550 0.000 0.000 0.338 642 Y C -0.240 175.890 175.900 0.383 0.000 0.965 642 Y CA -0.944 57.283 58.100 0.213 0.000 1.108 642 Y CB 1.950 40.591 38.460 0.301 0.000 1.180 642 Y HN 0.155 nan 8.280 nan 0.000 0.458 643 V N 3.437 123.747 119.914 0.660 0.000 2.443 643 V HA 0.479 4.599 4.120 0.000 0.000 0.293 643 V C -0.649 175.757 176.094 0.519 0.000 1.021 643 V CA -0.800 61.812 62.300 0.520 0.000 0.848 643 V CB 1.435 33.472 31.823 0.356 0.000 0.998 643 V HN 0.942 nan 8.190 nan 0.000 0.424 644 C N 3.997 123.551 119.300 0.424 0.000 2.898 644 C HA 1.041 5.502 4.460 0.000 0.000 0.304 644 C C 0.288 175.230 174.990 -0.081 0.000 1.237 644 C CA 0.626 59.689 59.018 0.075 0.000 1.529 644 C CB 0.940 28.562 27.740 -0.197 0.000 2.021 644 C HN 1.630 nan 8.230 nan 0.000 0.474 645 G N 4.160 112.688 108.800 -0.454 0.000 2.351 645 G HA2 0.117 4.077 3.960 0.000 0.000 0.353 645 G HA3 0.117 4.077 3.960 0.000 0.000 0.353 645 G C -0.259 173.718 174.900 -1.538 0.000 1.358 645 G CA 0.437 44.991 45.100 -0.911 0.000 0.995 645 G HN 0.839 nan 8.290 nan 0.000 0.611 646 D N -0.370 119.140 120.400 -1.484 0.000 2.096 646 D HA 0.274 4.914 4.640 0.000 0.000 0.214 646 D C 2.125 178.046 176.300 -0.632 0.000 0.974 646 D CA 2.974 56.233 54.000 -1.234 0.000 0.890 646 D CB 0.074 40.553 40.800 -0.535 0.000 1.016 646 D HN 1.997 nan 8.370 nan 0.000 0.447 647 A N 0.627 123.202 122.820 -0.410 0.000 1.252 647 A HA -0.284 4.036 4.320 0.000 0.000 0.267 647 A C 0.665 178.095 177.584 -0.256 0.000 1.695 647 A CA 1.711 53.552 52.037 -0.326 0.000 1.094 647 A CB -1.801 16.991 19.000 -0.347 0.000 1.471 647 A HN 0.697 nan 8.150 nan 0.000 0.723 648 K N -0.683 119.555 120.400 -0.269 0.000 5.420 648 K HA 0.070 4.390 4.320 0.000 0.000 0.407 648 K C 1.063 177.550 176.600 -0.189 0.000 1.074 648 K CA 1.802 57.965 56.287 -0.207 0.000 1.247 648 K CB -1.579 30.843 32.500 -0.131 0.000 1.725 648 K HN 2.840 nan 8.250 nan 0.000 0.408 649 G N 2.905 111.579 108.800 -0.211 0.000 2.792 649 G HA2 -0.363 3.597 3.960 0.000 0.000 0.201 649 G HA3 -0.363 3.597 3.960 0.000 0.000 0.201 649 G C 0.718 175.524 174.900 -0.157 0.000 1.322 649 G CA 0.420 45.428 45.100 -0.152 0.000 0.910 649 G HN 0.486 nan 8.290 nan 0.000 0.535 650 M N 1.997 121.476 119.600 -0.202 0.000 2.116 650 M HA -0.108 4.372 4.480 0.000 0.000 0.255 650 M C 2.590 178.807 176.300 -0.138 0.000 1.075 650 M CA 3.156 58.341 55.300 -0.192 0.000 1.087 650 M CB -1.064 31.384 32.600 -0.253 0.000 1.340 650 M HN 0.950 nan 8.290 nan 0.000 0.402 651 A N 0.621 123.338 122.820 -0.171 0.000 1.851 651 A HA -0.238 4.082 4.320 0.000 0.000 0.216 651 A C 2.153 179.707 177.584 -0.050 0.000 1.195 651 A CA 2.274 54.242 52.037 -0.115 0.000 0.622 651 A CB -0.698 18.176 19.000 -0.210 0.000 0.831 651 A HN 0.638 nan 8.150 nan 0.000 0.444 652 K N -0.896 119.460 120.400 -0.072 0.000 2.097 652 K HA -0.066 4.254 4.320 0.000 0.000 0.205 652 K C 2.164 178.757 176.600 -0.012 0.000 1.050 652 K CA 0.929 57.200 56.287 -0.026 0.000 0.938 652 K CB -0.465 32.014 32.500 -0.036 0.000 0.718 652 K HN 0.481 nan 8.250 nan 0.000 0.442 653 G N 1.304 110.086 108.800 -0.030 0.000 2.459 653 G HA2 -0.250 3.710 3.960 0.000 0.000 0.217 653 G HA3 -0.250 3.710 3.960 0.000 0.000 0.217 653 G C 1.600 176.496 174.900 -0.007 0.000 1.183 653 G CA 0.903 45.995 45.100 -0.013 0.000 0.776 653 G HN 0.099 nan 8.290 nan 0.000 0.552 654 V N 0.553 120.459 119.914 -0.014 0.000 2.343 654 V HA -0.172 3.948 4.120 0.000 0.000 0.247 654 V C 3.037 179.154 176.094 0.038 0.000 1.051 654 V CA 2.237 64.528 62.300 -0.015 0.000 1.036 654 V CB -0.365 31.450 31.823 -0.015 0.000 0.654 654 V HN 0.474 nan 8.190 nan 0.000 0.451 655 S N -0.718 115.042 115.700 0.099 0.000 2.359 655 S HA -0.244 4.226 4.470 0.000 0.000 0.224 655 S C 2.139 176.793 174.600 0.091 0.000 1.035 655 S CA 2.411 60.710 58.200 0.165 0.000 1.018 655 S CB -0.409 62.861 63.200 0.117 0.000 0.876 655 S HN 0.662 nan 8.310 nan 0.000 0.448 656 T N 1.847 116.429 114.554 0.045 0.000 2.759 656 T HA -0.044 4.306 4.350 0.000 0.000 0.269 656 T C 1.967 176.675 174.700 0.014 0.000 1.042 656 T CA 1.335 63.450 62.100 0.025 0.000 1.140 656 T CB -0.634 68.240 68.868 0.010 0.000 0.864 656 T HN 0.529 nan 8.240 nan 0.000 0.455 657 A N 1.171 123.992 122.820 0.001 0.000 1.877 657 A HA -0.016 4.304 4.320 0.000 0.000 0.216 657 A C 2.283 179.856 177.584 -0.018 0.000 1.186 657 A CA 1.262 53.285 52.037 -0.023 0.000 0.620 657 A CB -0.815 18.153 19.000 -0.054 0.000 0.822 657 A HN 0.498 nan 8.150 nan 0.000 0.443 658 L N -0.459 120.762 121.223 -0.003 0.000 2.046 658 L HA -0.167 4.173 4.340 0.000 0.000 0.208 658 L C 2.497 179.393 176.870 0.044 0.000 1.077 658 L CA 1.149 55.997 54.840 0.014 0.000 0.747 658 L CB -0.708 41.370 42.059 0.032 0.000 0.896 658 L HN 0.243 nan 8.230 nan 0.000 0.432 659 V N 0.355 120.300 119.914 0.052 0.000 2.469 659 V HA -0.221 3.899 4.120 0.000 0.000 0.251 659 V C 2.581 178.685 176.094 0.017 0.000 1.064 659 V CA 1.954 64.281 62.300 0.045 0.000 1.066 659 V CB -1.261 30.586 31.823 0.040 0.000 0.667 659 V HN 0.582 nan 8.190 nan 0.000 0.461 660 G N -0.019 108.781 108.800 0.000 0.000 2.414 660 G HA2 -0.189 3.772 3.960 0.000 0.000 0.215 660 G HA3 -0.189 3.772 3.960 0.000 0.000 0.215 660 G C 1.563 176.437 174.900 -0.045 0.000 1.188 660 G CA 0.944 46.030 45.100 -0.023 0.000 0.783 660 G HN 0.459 nan 8.290 nan 0.000 0.537 661 I N 0.084 120.633 120.570 -0.035 0.000 2.113 661 I HA -0.220 3.950 4.170 0.000 0.000 0.242 661 I C 2.685 178.743 176.117 -0.098 0.000 1.064 661 I CA 0.779 62.047 61.300 -0.054 0.000 1.320 661 I CB -0.280 37.734 38.000 0.023 0.000 1.028 661 I HN 0.099 nan 8.210 nan 0.000 0.406 662 L N 0.064 121.303 121.223 0.027 0.000 2.017 662 L HA -0.218 4.122 4.340 0.000 0.000 0.208 662 L C 2.760 179.617 176.870 -0.022 0.000 1.073 662 L CA 1.858 56.755 54.840 0.094 0.000 0.745 662 L CB -0.816 41.321 42.059 0.131 0.000 0.894 662 L HN 0.189 nan 8.230 nan 0.000 0.432 663 S N -0.942 114.739 115.700 -0.032 0.000 2.359 663 S HA -0.228 4.242 4.470 0.000 0.000 0.224 663 S C 2.206 176.748 174.600 -0.098 0.000 1.035 663 S CA 1.514 59.687 58.200 -0.044 0.000 1.018 663 S CB -0.057 63.124 63.200 -0.032 0.000 0.876 663 S HN 0.381 nan 8.310 nan 0.000 0.448 664 R N -0.020 120.390 120.500 -0.150 0.000 2.057 664 R HA 0.040 4.380 4.340 0.000 0.000 0.229 664 R C 2.723 178.835 176.300 -0.313 0.000 1.136 664 R CA 1.121 57.107 56.100 -0.189 0.000 0.952 664 R CB -1.135 29.056 30.300 -0.181 0.000 0.848 664 R HN 0.506 nan 8.270 nan 0.000 0.430 665 G N 1.917 110.348 108.800 -0.615 0.000 2.529 665 G HA2 -0.303 3.657 3.960 0.000 0.000 0.219 665 G HA3 -0.303 3.657 3.960 0.000 0.000 0.219 665 G C 1.052 175.664 174.900 -0.479 0.000 1.177 665 G CA 1.029 45.394 45.100 -1.224 0.000 0.773 665 G HN 0.297 nan 8.290 nan 0.000 0.573 666 K N 0.280 120.600 120.400 -0.134 0.000 2.437 666 K HA 0.327 4.647 4.320 0.000 0.000 0.198 666 K C 0.924 177.527 176.600 0.006 0.000 1.024 666 K CA 0.413 56.747 56.287 0.079 0.000 1.148 666 K CB 0.470 33.066 32.500 0.160 0.000 0.860 666 K HN 0.115 nan 8.250 nan 0.000 0.515 667 S N 1.258 116.925 115.700 -0.056 0.000 3.581 667 S HA -0.156 4.314 4.470 0.000 0.000 0.354 667 S C 0.217 174.805 174.600 -0.020 0.000 1.059 667 S CA 0.843 59.017 58.200 -0.043 0.000 1.060 667 S CB -1.863 61.320 63.200 -0.028 0.000 0.908 667 S HN 0.556 nan 8.310 nan 0.000 0.475 668 I N -2.112 118.450 120.570 -0.014 0.000 3.076 668 I HA 0.728 4.899 4.170 0.000 0.000 0.313 668 I C 0.885 176.997 176.117 -0.008 0.000 1.053 668 I CA -1.038 60.261 61.300 -0.002 0.000 1.048 668 I CB 1.117 39.124 38.000 0.013 0.000 1.264 668 I HN 0.153 nan 8.210 nan 0.000 0.498 669 T N -0.945 113.607 114.554 -0.004 0.000 2.748 669 T HA 0.103 4.453 4.350 0.000 0.000 0.304 669 T C 1.044 175.742 174.700 -0.003 0.000 1.041 669 T CA -0.163 61.933 62.100 -0.006 0.000 1.033 669 T CB 0.721 69.586 68.868 -0.004 0.000 0.995 669 T HN 0.713 nan 8.240 nan 0.000 0.536 670 T N 0.594 115.145 114.554 -0.005 0.000 2.746 670 T HA -0.117 4.234 4.350 0.000 0.000 0.267 670 T C 1.644 176.347 174.700 0.005 0.000 1.039 670 T CA 1.425 63.525 62.100 -0.001 0.000 1.142 670 T CB -0.490 68.375 68.868 -0.004 0.000 0.866 670 T HN 0.626 nan 8.240 nan 0.000 0.444 671 D N 0.739 121.141 120.400 0.003 0.000 2.097 671 D HA -0.098 4.542 4.640 0.000 0.000 0.195 671 D C 2.144 178.450 176.300 0.010 0.000 0.989 671 D CA 1.049 55.052 54.000 0.004 0.000 0.827 671 D CB -0.229 40.571 40.800 -0.000 0.000 0.966 671 D HN 0.507 nan 8.370 nan 0.000 0.456 672 E N 0.660 120.866 120.200 0.010 0.000 2.038 672 E HA -0.179 4.171 4.350 0.000 0.000 0.195 672 E C 2.081 178.695 176.600 0.024 0.000 1.000 672 E CA 1.116 57.525 56.400 0.015 0.000 0.803 672 E CB -0.009 29.700 29.700 0.015 0.000 0.750 672 E HN 0.150 nan 8.360 nan 0.000 0.448 673 A N 0.065 122.901 122.820 0.026 0.000 1.940 673 A HA -0.202 4.118 4.320 0.000 0.000 0.219 673 A C 2.345 179.955 177.584 0.042 0.000 1.176 673 A CA 2.091 54.151 52.037 0.038 0.000 0.631 673 A CB -0.897 18.122 19.000 0.032 0.000 0.814 673 A HN 0.319 nan 8.150 nan 0.000 0.446 674 T N -0.511 114.062 114.554 0.032 0.000 2.821 674 T HA -0.093 4.257 4.350 0.000 0.000 0.267 674 T C 1.884 176.606 174.700 0.036 0.000 1.046 674 T CA 1.359 63.480 62.100 0.035 0.000 1.139 674 T CB -0.171 68.713 68.868 0.025 0.000 0.871 674 T HN 0.430 nan 8.240 nan 0.000 0.454 675 E N 0.997 121.214 120.200 0.029 0.000 2.106 675 E HA 0.007 4.357 4.350 0.000 0.000 0.192 675 E C 2.261 178.880 176.600 0.030 0.000 0.984 675 E CA 0.669 57.085 56.400 0.027 0.000 0.806 675 E CB -0.307 29.405 29.700 0.019 0.000 0.750 675 E HN 0.475 nan 8.360 nan 0.000 0.458 676 L N 0.460 121.704 121.223 0.035 0.000 2.083 676 L HA -0.173 4.167 4.340 0.000 0.000 0.209 676 L C 2.402 179.299 176.870 0.045 0.000 1.083 676 L CA 0.643 55.505 54.840 0.037 0.000 0.752 676 L CB -0.342 41.745 42.059 0.047 0.000 0.899 676 L HN 0.137 nan 8.230 nan 0.000 0.433 677 I N 0.151 120.757 120.570 0.060 0.000 2.252 677 I HA -0.234 3.936 4.170 0.000 0.000 0.245 677 I C 2.425 178.555 176.117 0.021 0.000 1.102 677 I CA 1.472 62.822 61.300 0.084 0.000 1.385 677 I CB -0.787 37.279 38.000 0.110 0.000 1.064 677 I HN 0.280 nan 8.210 nan 0.000 0.414 678 K N 0.197 120.609 120.400 0.019 0.000 2.097 678 K HA -0.131 4.189 4.320 0.000 0.000 0.206 678 K C 2.168 178.768 176.600 0.001 0.000 1.049 678 K CA 1.290 57.587 56.287 0.017 0.000 0.933 678 K CB -0.077 32.467 32.500 0.074 0.000 0.717 678 K HN 0.284 nan 8.250 nan 0.000 0.442 679 M N 0.541 120.146 119.600 0.008 0.000 2.086 679 M HA -0.161 4.319 4.480 0.000 0.000 0.261 679 M C 2.125 178.409 176.300 -0.026 0.000 1.067 679 M CA 1.566 56.864 55.300 -0.003 0.000 1.116 679 M CB -0.458 32.142 32.600 0.001 0.000 1.348 679 M HN 0.121 nan 8.290 nan 0.000 0.407 680 L N 0.078 121.291 121.223 -0.016 0.000 2.187 680 L HA -0.220 4.120 4.340 0.000 0.000 0.213 680 L C 2.296 179.141 176.870 -0.043 0.000 1.100 680 L CA 1.260 56.082 54.840 -0.030 0.000 0.765 680 L CB -0.536 41.550 42.059 0.045 0.000 0.904 680 L HN 0.347 nan 8.230 nan 0.000 0.437 681 K N -1.170 119.184 120.400 -0.077 0.000 2.211 681 K HA -0.012 4.308 4.320 0.000 0.000 0.201 681 K C 2.067 178.609 176.600 -0.097 0.000 1.052 681 K CA 1.104 57.303 56.287 -0.146 0.000 0.973 681 K CB -0.040 32.281 32.500 -0.299 0.000 0.766 681 K HN 0.148 nan 8.250 nan 0.000 0.466 682 T N 1.117 115.633 114.554 -0.063 0.000 2.737 682 T HA -0.127 4.223 4.350 0.000 0.000 0.265 682 T C 2.135 176.816 174.700 -0.033 0.000 1.038 682 T CA 1.804 63.885 62.100 -0.033 0.000 1.144 682 T CB -0.177 68.688 68.868 -0.005 0.000 0.866 682 T HN 0.346 nan 8.240 nan 0.000 0.434 683 S N 0.418 116.089 115.700 -0.048 0.000 2.402 683 S HA 0.180 4.650 4.470 0.000 0.000 0.229 683 S C 1.927 176.488 174.600 -0.065 0.000 1.021 683 S CA 1.211 59.377 58.200 -0.056 0.000 0.974 683 S CB -0.400 62.753 63.200 -0.079 0.000 0.800 683 S HN 0.774 nan 8.310 nan 0.000 0.484 684 G N 0.897 109.643 108.800 -0.091 0.000 2.184 684 G HA2 -0.197 3.763 3.960 0.000 0.000 0.206 684 G HA3 -0.197 3.763 3.960 0.000 0.000 0.206 684 G C 0.812 175.568 174.900 -0.239 0.000 0.995 684 G CA 0.127 45.183 45.100 -0.073 0.000 0.651 684 G HN 0.457 nan 8.290 nan 0.000 0.511 685 R N -0.747 119.485 120.500 -0.447 0.000 2.276 685 R HA 0.180 4.520 4.340 0.000 0.000 0.203 685 R C 0.319 176.318 176.300 -0.502 0.000 1.017 685 R CA 0.617 56.157 56.100 -0.932 0.000 1.010 685 R CB 0.162 30.017 30.300 -0.742 0.000 0.900 685 R HN 0.530 nan 8.270 nan 0.000 0.469 686 Y N 1.202 121.279 120.300 -0.372 0.000 2.349 686 Y HA 0.244 4.794 4.550 0.000 0.000 0.324 686 Y C -1.110 174.682 175.900 -0.180 0.000 1.005 686 Y CA -1.050 56.895 58.100 -0.259 0.000 1.240 686 Y CB 1.000 39.364 38.460 -0.160 0.000 1.117 686 Y HN -0.092 nan 8.280 nan 0.000 0.463 687 Q N 4.679 124.553 119.800 0.122 0.000 2.306 687 Q HA 0.463 4.803 4.340 0.000 0.000 0.265 687 Q C -1.340 174.934 176.000 0.456 0.000 1.022 687 Q CA -0.969 54.942 55.803 0.180 0.000 0.853 687 Q CB 2.819 31.564 28.738 0.012 0.000 1.327 687 Q HN 0.644 nan 8.270 nan 0.000 0.449 688 E N 0.947 121.452 120.200 0.508 0.000 2.292 688 E HA 0.271 4.621 4.350 0.000 0.000 0.272 688 E C -1.490 175.371 176.600 0.435 0.000 0.881 688 E CA -0.615 56.104 56.400 0.532 0.000 0.754 688 E CB 1.809 31.684 29.700 0.293 0.000 1.201 688 E HN 0.367 nan 8.360 nan 0.000 0.425 689 D N 2.493 123.024 120.400 0.218 0.000 2.441 689 D HA 0.236 4.876 4.640 0.000 0.000 0.287 689 D C -1.584 174.755 176.300 0.066 0.000 1.198 689 D CA -0.329 53.666 54.000 -0.009 0.000 0.894 689 D CB 0.752 41.175 40.800 -0.629 0.000 1.070 689 D HN 0.087 nan 8.370 nan 0.000 0.499 690 V N 3.519 123.505 119.914 0.120 0.000 2.435 690 V HA 0.685 4.805 4.120 0.000 0.000 0.290 690 V C -0.213 175.979 176.094 0.163 0.000 1.030 690 V CA -0.693 61.596 62.300 -0.019 0.000 0.881 690 V CB 0.826 32.603 31.823 -0.076 0.000 0.983 690 V HN 0.491 nan 8.190 nan 0.000 0.445 691 W N 0.000 121.320 121.300 0.033 0.000 2.388 691 W HA 0.000 4.660 4.660 0.000 0.000 0.303 691 W CA 0.000 57.378 57.345 0.055 0.000 1.226 691 W CB 0.000 29.436 29.460 -0.040 0.000 1.126 691 W HN 0.000 nan 8.180 nan 0.000 0.535